A0A023ZY45_SCOMX Loading...

Protein-serine/threonine kinase

AlphaFold DB , UniProt , Accession A0A023ZY45, Species SCOMX (Scophthalmus maximus, Turbot), Gene bckdk, Length 437 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	25.6	Very low	27.8	Very low	250 Å²	250	110.2 Å²	110.2	100%	1.232	63%	0.626	S	S	*	*				0	96.2	0	-72.3	-179.1	171.6	0	0	108.2
2	R	21	Very low	28.3	Very low	240 Å²	240	105.7 Å²	105.7	91%	0.906	60%	0.597	S	S	*	*			trans	-102.1	143	175.7	-75.9	-178.5	174.8	-179	-1.6	108	G4	R2-G4 PolarHBondContact O-N 3.41Å
3	P	26.5	Very low	28.7	Very low	132 Å²	132	101.9 Å²	101.9	86%	0.857	57%	0.574	S	S	*	*			trans	-69.4	115.2	-179.9	27.8	-29.5	0	0	0	109.1
4	G	23.3	Very low	28.7	Very low	53 Å²	53	99.7 Å²	99.7	55%	0.546	57%	0.569	S	S	.	*			trans	-75.4	171.5	173.4	0	0	0	0	0	111.8	R2 A6	R2-G4 PolarHBondContact O-N 3.41Å; G4-A6 PolarHBondContact O-N 3.14Å
5	L	33.5	Very low	28.5	Very low	84 Å²	84	96.5 Å²	96.5	44%	0.44	57%	0.566	S	S	.	*	T	Hydrogen-bonded Turn	trans	-47.4	2.9	-165	-91	82.9	0	0	0	120.6	G7 L8 E238	L5-G7 PolarHBondContact O-N 3.37Å; L5-L8 HydrophobicContact CG-CD1 4.45Å; L5-L8 PolarHBondContact O-N 3.12Å; L5-E238 HydrophobicContact CD1-CG 4.13Å; L5-E238 WeakPolarHBondContact CD1-OE1 3.47Å; L5-E238 WeakPolarHBondContact CD1-OE2 3.19Å; L5-E238 WeakPolarHBondContact CD2-OE1 3.48Å; L5-E238 WeakPolarHBondContact CG-OE1 3.4Å
6	A	29.3	Very low	28.6	Very low	84 Å²	84	95.7 Å²	95.7	69%	0.694	57%	0.574	S	S	*	*	H	α-helix	trans	-60.4	-23.2	165	0	0	0	0	0	113	G4	G4-A6 PolarHBondContact O-N 3.14Å
7	G	25.4	Very low	28.5	Very low	40 Å²	40	98.3 Å²	98.3	41%	0.412	59%	0.591	S	S	.	*	H	α-helix	trans	-74	-36.3	178.8	0	0	0	0	0	115	L5 A9 V10 E11	L5-G7 PolarHBondContact O-N 3.37Å; G7-A9 VanDerWaalsContact C-N 3.33Å; G7-A9 PolarHBondContact O-N 3.27Å; G7-V10 PolarHBondContact O-N 3.12Å; G7-E11 PolarHBondContact O-N 3.02Å; G7-E11 VanDerWaalsContact O-N 3.1Å
8	L	29.6	Very low	28.2	Very low	78 Å²	78	100.6 Å²	100.6	41%	0.408	61%	0.61	S	S	.	*	H	α-helix	trans	-72	-24	-174.8	-98.6	115.7	0	0	0	113.7	L5 M12	L5-L8 HydrophobicContact CG-CD1 4.45Å; L5-L8 PolarHBondContact O-N 3.12Å; L8-M12 VanDerWaalsContact O-CG 3.26Å; L8-M12 WeakPolarHBondContact O-CG 3.41Å
9	A	30.3	Very low	28.1	Very low	31 Å²	31	108.1 Å²	108.1	26%	0.256	63%	0.626	S	S	.	*	H	α-helix	trans	-79.8	-24.2	173.9	0	0	0	0	0	112.6	G7	G7-A9 VanDerWaalsContact C-N 3.33Å; G7-A9 PolarHBondContact O-N 3.27Å
10	V	32.3	Very low	27.9	Very low	79 Å²	79	107.7 Å²	107.7	48%	0.479	64%	0.636	S	S	.	*	H	α-helix	trans	-87.3	-35.9	-178.4	176.3	0	0	0	0	111.4	G7 M12	G7-V10 PolarHBondContact O-N 3.12Å; V10-M12 PolarHBondContact O-N 2.62Å
11	E	28.8	Very low	27.8	Very low	141 Å²	141	113.9 Å²	113.9	66%	0.659	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.5	-15.3	174.8	-79.7	-176.6	148.1	0	0	113.5	G7 S14	G7-E11 PolarHBondContact O-N 3.02Å; G7-E11 VanDerWaalsContact O-N 3.1Å; E11-S14 PolarHBondContact O-OG 3.25Å
12	M	33.6	Very low	27.8	Very low	56 Å²	56	107.3 Å²	107.3	28%	0.276	63%	0.625	S	S	.	*	T	Hydrogen-bonded Turn	trans	-94.4	-8.5	-174.7	-71.3	-92	56.5	0	0	116.2	L8 V10 K189	L8-M12 VanDerWaalsContact O-CG 3.26Å; L8-M12 WeakPolarHBondContact O-CG 3.41Å; V10-M12 PolarHBondContact O-N 2.62Å; M12-K189 HydrophobicContact CE-CB 3.42Å; M12-K189 VanDerWaalsContact CE-CB 3.42Å; M12-K189 HydrophobicContact CE-CD 3.45Å; M12-K189 VanDerWaalsContact CE-CD 3.45Å; M12-K189 HydrophobicContact CE-CG 3.58Å; M12-K189 HydrophobicContact SD-CB 3.47Å; M12-K189 WeakPolarHBondContact SD-CB 3.38Å; M12-K189 HydrophobicContact SD-CD 4.04Å; M12-K189 HydrophobicContact SD-CG 4.22Å
13	L	34.4	Very low	27.9	Very low	57 Å²	57	107.9 Å²	107.9	30%	0.298	63%	0.626	S	S	.	*	S	Bend	trans	-104	-3	171.4	-71.9	165.8	0	0	0	112.7	W260 F263	L13-W260 HydrophobicContact CD1-CH2 3.26Å; L13-W260 HydrophobicContact CD1-CZ2 4.34Å; L13-W260 HydrophobicContact CD1-CZ3 3.37Å; L13-F263 HydrophobicContact CB-CZ 4.18Å
14	S	27.8	Very low	27.9	Very low	71 Å²	71	109.6 Å²	109.6	50%	0.497	63%	0.628	S	S	.	*	S	Bend	trans	-100.2	110	169.1	58.4	0	0	0	0	109.9	E11 A16	E11-S14 PolarHBondContact O-OG 3.25Å; S14-A16 PolarHBondContact O-N 3.17Å; S14-A16 VanDerWaalsContact O-N 3.11Å
15	G	26.7	Very low	28	Very low	51 Å²	51	110.7 Å²	110.7	53%	0.526	64%	0.639	S	S	.	*			trans	-61.4	112.3	165.2	0	0	0	0	0	110.7
16	A	29.1	Very low	27.5	Very low	84 Å²	84	111.7 Å²	111.7	69%	0.694	65%	0.653	S	S	*	*			trans	57.6	123.5	157.4	0	0	0	0	0	120.5	S14	S14-A16 PolarHBondContact O-N 3.17Å; S14-A16 VanDerWaalsContact O-N 3.11Å
17	T	26.6	Very low	27.4	Very low	140 Å²	140	116.1 Å²	116.1	86%	0.859	66%	0.664	S	S	*	*				176.2	123.4	93.3	33.4	0	0	0	0	111.6
18	C	22.9	Very low	27.3	Very low	139 Å²	139	121 Å²	121	94%	0.939	68%	0.68	S	S	*	*			trans	-133.8	104.8	159.3	-120.5	0	0	0	0	107.2
19	R	26.3	Very low	27.1	Very low	244 Å²	244	124.2 Å²	124.2	92%	0.921	70%	0.697	S	S	*	*			trans	-120.5	114.1	170.1	-118.9	-177.2	-178	-177.9	1.1	108.6
20	A	25.4	Very low	27.1	Very low	99 Å²	99	128.4 Å²	128.4	82%	0.818	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-63.4	130.4	168.5	0	0	0	0	0	110
21	R	24.6	Very low	26.9	Very low	239 Å²	239	130.1 Å²	130.1	90%	0.902	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-77.3	136.5	169	-74	-178	174.5	-172.2	-1.8	109.9
22	P	25.7	Very low	26.8	Very low	112 Å²	112	131.1 Å²	131.1	73%	0.727	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-79.6	139.9	156.8	30.1	-26.5	0	0	0	110.1
23	R	23.4	Very low	26.4	Very low	251 Å²	251	136.8 Å²	136.8	95%	0.947	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-70	122.9	171.8	-69.3	178.1	174	-177.2	-2.7	109.1
24	L	27	Very low	26.2	Very low	169 Å²	169	141.1 Å²	141.1	89%	0.885	79%	0.793	S	S	*	*			trans	-108.3	118.6	158.8	-106.8	91.5	0	0	0	108.7
25	G	24.9	Very low	26.2	Very low	75 Å²	75	142.1 Å²	142.1	77%	0.773	81%	0.806	S	S	*	*			trans	-79.2	139.3	169	0	0	0	0	0	110.8
26	S	23.8	Very low	27	Very low	105 Å²	105	145.3 Å²	145.3	73%	0.734	82%	0.817	S	S	*	*			trans	-64.4	137.3	173.9	51.6	0	0	0	0	113
27	L	26	Very low	27.3	Very low	178 Å²	178	147.3 Å²	147.3	93%	0.932	82%	0.823	S	S	*	*			trans	-144	134	145.5	-112.5	118	0	0	0	110.7
28	L	24.9	Very low	27.2	Very low	142 Å²	142	145.7 Å²	145.7	74%	0.743	82%	0.818	S	S	*	*			trans	-80.3	143.3	-170.1	-69.6	108.9	0	0	0	113.6
29	L	23.7	Very low	27.9	Very low	146 Å²	146	143.9 Å²	143.9	76%	0.764	81%	0.805	S	S	*	*			trans	56.2	164.3	135.7	-69.2	166.3	0	0	0	120.6
30	P	31.5	Very low	27.8	Very low	118 Å²	118	138.3 Å²	138.3	77%	0.766	80%	0.797	S	S	*	*			cis	-131.4	176.4	-7.3	23	2	0	0	0	115.9
31	V	27.1	Very low	27.9	Very low	115 Å²	115	139.5 Å²	139.5	70%	0.697	80%	0.795	S	S	*	*			trans	-53.4	141.5	170.9	172.8	0	0	0	0	115
32	N	26.5	Very low	27.9	Very low	162 Å²	162	133.9 Å²	133.9	87%	0.866	79%	0.787	S	S	*	*				-159.2	142.5	128.3	-120.9	-10.1	0	0	0	115.6
33	K	26.8	Very low	27.9	Very low	175 Å²	175	134 Å²	134	76%	0.761	79%	0.786	S	S	*	*			trans	-79.7	153.9	178.6	-66.9	169.5	172.6	175.7	0	111.2
34	T	29.6	Very low	28	Very low	148 Å²	148	127.8 Å²	127.8	91%	0.908	78%	0.776	S	S	*	*				165.6	151.9	114.3	41.2	0	0	0	0	112.3
35	A	28.8	Very low	27.9	Very low	92 Å²	92	125.6 Å²	125.6	76%	0.76	78%	0.775	S	S	*	*			trans	-96.8	-157.7	-164.9	0	0	0	0	0	114.5
36	P	42.8	Very low	28	Very low	118 Å²	118	129 Å²	129	77%	0.766	77%	0.774	S	S	*	*				-103.6	-176	-112.9	38.2	-19.8	0	0	0	114
37	P	35.2	Very low	28.2	Very low	126 Å²	126	130.6 Å²	130.6	82%	0.818	78%	0.78	S	S	*	*				-155.4	171.2	101.2	37.3	-16.4	0	0	0	117.3
38	S	25	Very low	28.2	Very low	107 Å²	107	125.9 Å²	125.9	75%	0.748	77%	0.766	S	S	*	*			trans	-83.6	-166.3	165.8	50.9	0	0	0	0	112.6
39	P	36.3	Very low	28.3	Very low	101 Å²	101	125.7 Å²	125.7	66%	0.656	77%	0.771	S	S	*	*				-129.4	176.8	-57.2	34	-15.2	0	0	0	113.9
40	T	25.6	Very low	28.4	Very low	126 Å²	126	123.7 Å²	123.7	77%	0.773	78%	0.776	S	S	*	*			trans	64.5	136.1	149.9	38.4	0	0	0	0	122.4
41	T	26.4	Very low	28.3	Very low	124 Å²	124	123.4 Å²	123.4	76%	0.761	78%	0.783	S	S	*	*				170.1	104.2	125.7	-61.2	0	0	0	0	108.8
42	T	25.2	Very low	28.4	Very low	121 Å²	121	121.4 Å²	121.4	74%	0.742	79%	0.786	S	S	*	*				75.7	123.2	98.5	-34.2	0	0	0	0	115.7
43	T	26.3	Very low	28.6	Very low	115 Å²	115	119.4 Å²	119.4	71%	0.706	79%	0.785	S	S	*	*				147.7	105.6	116.4	-47.9	0	0	0	0	113.5
44	T	24.4	Very low	28.6	Very low	120 Å²	120	122.1 Å²	122.1	74%	0.736	79%	0.79	S	S	*	*			trans	9	136.3	139.3	23.8	0	0	0	0	122.8
45	S	26.1	Very low	28.6	Very low	123 Å²	123	126.6 Å²	126.6	86%	0.86	79%	0.79	S	S	*	*			trans	-144	134.7	136.4	61.3	0	0	0	0	110.7
46	I	26.6	Very low	28.6	Very low	146 Å²	146	132 Å²	132	75%	0.749	80%	0.797	S	S	*	*			trans	-101.5	138.4	-169.8	-62.1	163.9	0	0	0	109.8
47	T	27.2	Very low	28	Very low	140 Å²	140	137.3 Å²	137.3	86%	0.859	80%	0.802	S	S	*	*			trans	-163.4	113	142	31.7	0	0	0	0	113.7
48	A	26.8	Very low	27.9	Very low	79 Å²	79	136.2 Å²	136.2	65%	0.653	80%	0.797	S	S	*	*			trans	38.4	119.1	140.2	0	0	0	0	0	124.6
49	T	25.8	Very low	28.3	Very low	138 Å²	138	135.7 Å²	135.7	85%	0.847	79%	0.789	S	S	*	*				65.9	113.4	129.1	61.3	0	0	0	0	121.8
50	A	27.6	Very low	28.4	Very low	104 Å²	104	135.6 Å²	135.6	86%	0.86	79%	0.791	S	S	*	*				172.2	148.5	106.3	0	0	0	0	0	111.2
51	A	28.3	Very low	29.1	Very low	112 Å²	112	133.9 Å²	133.9	93%	0.926	79%	0.785	S	S	*	*			trans	-65.3	147.7	-169.3	0	0	0	0	0	115.7
52	G	28.3	Very low	29.7	Very low	72 Å²	72	133 Å²	133	74%	0.742	78%	0.778	S	S	*	*			trans	173.5	93	169.3	0	0	0	0	0	113.2	R54	G52-R54 PolarHBondContact O-N 2.87Å
53	S	30.7	Very low	30.3	Very low	121 Å²	121	133.1 Å²	133.1	85%	0.846	77%	0.771	S	S	*	*			trans	-59.1	117.5	176.7	-170.1	0	0	0	0	112.2
54	R	27.7	Very low	30.8	Very low	231 Å²	231	129.3 Å²	129.3	87%	0.872	76%	0.755	S	S	*	*			trans	-138.6	99.7	161.7	-76.2	-170.1	178	-178.8	0.2	110.1	G52 F56	G52-R54 PolarHBondContact O-N 2.87Å; R54-F56 PolarHBondContact O-N 3.39Å
55	R	29.8	Very low	31.5	Very low	243 Å²	243	131.6 Å²	131.6	92%	0.917	76%	0.755	S	S	*	*			trans	-63.4	114	163.8	-82	178.5	169.4	164	-3.6	108.7	R57	R55-R57 PolarHBondContact O-N 3.07Å
56	F	27.8	Very low	32.5	Very low	206 Å²	206	129.3 Å²	129.3	90%	0.904	74%	0.738	S	S	*	*			trans	-66.4	115.2	162.1	-94.1	-95.9	0	0	0	108.6	R54	R54-F56 PolarHBondContact O-N 3.39Å
57	R	31.8	Very low	33.1	Very low	228 Å²	228	127.5 Å²	127.5	86%	0.86	73%	0.727	S	S	*	*			trans	-105.2	107.4	168.9	-147	179.9	-165	-175.4	3.5	106.7	R55 T59	R55-R57 PolarHBondContact O-N 3.07Å; R57-T59 PolarHBondContact O-N 3.1Å
58	S	31.6	Very low	33.9	Very low	104 Å²	104	126.1 Å²	126.1	73%	0.727	71%	0.714	S	S	*	*			trans	-62.2	114.5	175.1	-53.7	0	0	0	0	109.7
59	T	35	Very low	34.7	Very low	95 Å²	95	124.8 Å²	124.8	58%	0.583	70%	0.702	S	S	*	*			trans	-97.6	6.5	-178.7	50.2	0	0	0	0	114.1	R57 S61	R57-T59 PolarHBondContact O-N 3.1Å; T59-S61 VanDerWaalsContact C-N 3.34Å; T59-S61 PolarHBondContact O-N 3.37Å
60	S	37.8	Very low	35.6	Very low	99 Å²	99	125.2 Å²	125.2	69%	0.692	69%	0.689	S	S	*	*	H	α-helix	trans	-73.4	-16	-169.5	50.7	0	0	0	0	115.6
61	S	40.2	Very low	36.3	Very low	91 Å²	91	126 Å²	126	64%	0.636	67%	0.674	S	S	*	*	H	α-helix	trans	-92.6	-15.6	-178.1	56.7	0	0	0	0	114.9	T59	T59-S61 VanDerWaalsContact C-N 3.34Å; T59-S61 PolarHBondContact O-N 3.37Å
62	V	39.6	Very low	37.3	Very low	104 Å²	104	129.2 Å²	129.2	63%	0.63	66%	0.663	S	S	*	*	H	α-helix	trans	-94.1	-25.2	-178.1	-174.8	0	0	0	0	111.9	S66	V62-S66 PolarHBondContact O-N 2.97Å
63	Q	36.1	Very low	37.9	Very low	124 Å²	124	129 Å²	129	58%	0.579	65%	0.65	S	S	*	*	H	α-helix	trans	-66.1	-41.1	176.8	-90.4	163	-46.1	0	0	112.4	F65 S66 E67	Q63-F65 PolarHBondContact O-N 2.82Å; Q63-S66 PolarHBondContact O-N 3.45Å; Q63-E67 VanDerWaalsContact O-CB 3.25Å; Q63-E67 WeakPolarHBondContact O-CB 3.4Å; Q63-E67 PolarHBondContact O-N 3.49Å
64	G	37.1	Very low	38.7	Very low	36 Å²	36	129.4 Å²	129.4	37%	0.371	64%	0.636	S	S	.	*	H	α-helix	trans	-63.1	-37	179.1	0	0	0	0	0	114.3	L68	G64-L68 WeakPolarHBondContact O-CB 3.5Å; G64-L68 VanDerWaalsContact O-CG 3.29Å; G64-L68 WeakPolarHBondContact O-CG 3.48Å; G64-L68 PolarHBondContact O-N 3.03Å; G64-L68 VanDerWaalsContact O-N 3.11Å
65	F	40.1	Very low	39.8	Very low	168 Å²	168	120.7 Å²	120.7	74%	0.737	61%	0.611	S	S	*	*	H	α-helix	trans	-71.8	-40.2	175.7	-97.2	-87.4	0	0	0	112.5	Q63 E67 A69	Q63-F65 PolarHBondContact O-N 2.82Å; F65-E67 VanDerWaalsContact C-N 3.35Å; F65-A69 WeakPolarHBondContact O-CB 3.42Å; F65-A69 PolarHBondContact O-N 3.43Å
66	S	45.9	Very low	40.7	Very low	74 Å²	74	112.3 Å²	112.3	52%	0.517	59%	0.586	S	S	.	*	H	α-helix	trans	-65.6	-38.7	176.1	177.1	0	0	0	0	111.7	V62 Q63 A69 R70	V62-S66 PolarHBondContact O-N 2.97Å; Q63-S66 PolarHBondContact O-N 3.45Å; S66-A69 PolarHBondContact O-N 3.21Å; S66-R70 WeakPolarHBondContact O-CB 3.46Å; S66-R70 PolarHBondContact O-N 3.46Å
67	E	39.2	Very low	41.5	Very low	109 Å²	109	106.7 Å²	106.7	51%	0.509	57%	0.569	S	S	.	*	H	α-helix	trans	-72.2	-43.8	-178.4	-158.1	156.8	-141.9	0	0	111.7	Q63 F65 R70 E71	Q63-E67 VanDerWaalsContact O-CB 3.25Å; Q63-E67 WeakPolarHBondContact O-CB 3.4Å; Q63-E67 PolarHBondContact O-N 3.49Å; F65-E67 VanDerWaalsContact C-N 3.35Å; E67-R70 PolarHBondContact O-N 2.86Å; E67-E71 WeakPolarHBondContact O-CB 3.43Å; E67-E71 WeakPolarHBondContact O-CG 3.3Å; E67-E71 PolarHBondContact O-N 3.34Å
68	L	44.9	Very low	42.5	Very low	111 Å²	111	99.1 Å²	99.1	58%	0.581	55%	0.551	S	S	*	*	H	α-helix	trans	-64.6	-38.8	171.7	-71.9	169.7	0	0	0	112.7	G64 R72	G64-L68 WeakPolarHBondContact O-CB 3.5Å; G64-L68 VanDerWaalsContact O-CG 3.29Å; G64-L68 WeakPolarHBondContact O-CG 3.48Å; G64-L68 PolarHBondContact O-N 3.03Å; G64-L68 VanDerWaalsContact O-N 3.11Å; L68-R72 WeakPolarHBondContact O-CB 3.28Å; L68-R72 PolarHBondContact O-N 2.88Å
69	A	43.8	Very low	43.4	Very low	50 Å²	50	95.3 Å²	95.3	41%	0.413	52%	0.521	S	S	.	.	H	α-helix	trans	-67.6	-36.4	174.2	0	0	0	0	0	111.7	F65 S66 S73	F65-A69 WeakPolarHBondContact O-CB 3.42Å; F65-A69 PolarHBondContact O-N 3.43Å; S66-A69 PolarHBondContact O-N 3.21Å; A69-S73 VanDerWaalsContact O-CB 3.28Å; A69-S73 WeakPolarHBondContact O-CB 3.47Å; A69-S73 PolarHBondContact O-N 3.06Å; A69-S73 PolarHBondContact O-OG 3.17Å
70	R	43.5	Very low	44.4	Very low	147 Å²	147	95.8 Å²	95.8	56%	0.555	51%	0.513	S	S	*	.	H	α-helix	trans	-74.6	-34.2	177.5	-162.8	175.5	80.9	146.8	0.7	112.2	S66 E67 S73 K74	S66-R70 WeakPolarHBondContact O-CB 3.46Å; S66-R70 PolarHBondContact O-N 3.46Å; E67-R70 PolarHBondContact O-N 2.86Å; R70-S73 PolarHBondContact O-N 3.26Å; R70-K74 WeakPolarHBondContact O-CB 3.41Å; R70-K74 WeakPolarHBondContact O-CG 3.48Å; R70-K74 PolarHBondContact O-N 3.18Å
71	E	44.2	Very low	45.2	Very low	120 Å²	120	97.4 Å²	97.4	56%	0.561	51%	0.514	S	S	*	.	H	α-helix	trans	-66	-45.9	169.4	-78.2	-179.3	164.8	0	0	111.2	E67 S73 K74 S75	E67-E71 WeakPolarHBondContact O-CB 3.43Å; E67-E71 WeakPolarHBondContact O-CG 3.3Å; E67-E71 PolarHBondContact O-N 3.34Å; E71-S73 VanDerWaalsContact C-N 3.31Å; E71-S73 PolarHBondContact O-N 3.32Å; E71-K74 PolarHBondContact O-N 3.43Å; E71-S75 PolarHBondContact O-N 2.88Å
72	R	47.8	Very low	46.7	Very low	181 Å²	181	94.6 Å²	94.6	68%	0.683	49%	0.491	S	S	*	.	H	α-helix	trans	-56.7	-44.2	169.2	-87.6	-178.8	162.5	-174.1	-4.7	111.5	L68 S75 V76	L68-R72 WeakPolarHBondContact O-CB 3.28Å; L68-R72 PolarHBondContact O-N 2.88Å; R72-S75 PolarHBondContact O-N 3.09Å; R72-S75 PolarHBondContact O-OG 3.1Å; R72-V76 WeakPolarHBondContact O-CG2 3.44Å; R72-V76 PolarHBondContact O-N 2.89Å
73	S	42.5	Very low	48.3	Very low	67 Å²	67	94.2 Å²	94.2	47%	0.469	49%	0.493	S	S	.	.	H	α-helix	trans	-68.6	-35.8	-179.6	-57	0	0	0	0	113.1	A69 R70 E71 V76 T77	A69-S73 VanDerWaalsContact O-CB 3.28Å; A69-S73 WeakPolarHBondContact O-CB 3.47Å; A69-S73 PolarHBondContact O-N 3.06Å; A69-S73 PolarHBondContact O-OG 3.17Å; R70-S73 PolarHBondContact O-N 3.26Å; E71-S73 VanDerWaalsContact C-N 3.31Å; E71-S73 PolarHBondContact O-N 3.32Å; S73-V76 PolarHBondContact O-N 2.97Å; S73-T77 PolarHBondContact O-N 3.44Å; S73-T77 PolarHBondContact O-OG1 3.37Å
74	K	46.1	Very low	50.5	Low	130 Å²	130	90.9 Å²	90.9	57%	0.565	49%	0.487	S	S	*	.	H	α-helix	trans	-66.8	-40.8	171.7	-78.6	-179.1	178.2	-175.1	0	111.7	R70 E71 V76 T77 S78	R70-K74 WeakPolarHBondContact O-CB 3.41Å; R70-K74 WeakPolarHBondContact O-CG 3.48Å; R70-K74 PolarHBondContact O-N 3.18Å; E71-K74 PolarHBondContact O-N 3.43Å; K74-V76 VanDerWaalsContact C-N 3.29Å; K74-V76 PolarHBondContact O-N 2.94Å; K74-T77 PolarHBondContact O-N 3.21Å; K74-S78 WeakPolarHBondContact O-CB 3.28Å; K74-S78 PolarHBondContact O-N 3.18Å
75	S	51.8	Low	52.7	Low	48 Å²	48	89.2 Å²	89.2	34%	0.336	47%	0.469	S	S	.	.	H	α-helix	trans	-60.5	-40.4	173.8	78.7	0	0	0	0	111.5	E71 R72 F79	E71-S75 PolarHBondContact O-N 2.88Å; R72-S75 PolarHBondContact O-N 3.09Å; R72-S75 PolarHBondContact O-OG 3.1Å; S75-F79 VanDerWaalsContact O-CB 3.31Å; S75-F79 WeakPolarHBondContact O-CB 3.44Å; S75-F79 PolarHBondContact O-N 3.49Å
76	V	47.5	Very low	54.9	Low	67 Å²	67	84 Å²	84	41%	0.406	45%	0.449	S	S	.	.	H	α-helix	trans	-73	-27.3	179	174.2	0	0	0	0	113.1	R72 S73 K74 F79 Y80	R72-V76 WeakPolarHBondContact O-CG2 3.44Å; R72-V76 PolarHBondContact O-N 2.89Å; S73-V76 PolarHBondContact O-N 2.97Å; K74-V76 VanDerWaalsContact C-N 3.29Å; K74-V76 PolarHBondContact O-N 2.94Å; V76-F79 VanDerWaalsContact C-CB 3.48Å; V76-F79 WeakPolarHBondContact O-CB 3.46Å; V76-Y80 HydrophobicContact CG1-CE2 4.45Å; V76-Y80 WeakPolarHBondContact O-CD2 3.27Å
77	T	46	Very low	56.8	Low	88 Å²	88	84.4 Å²	84.4	54%	0.54	45%	0.448	S	S	.	.	H	α-helix	trans	-85.1	-37.9	177.8	-43.9	0	0	0	0	111.8	S73 K74 F79	S73-T77 PolarHBondContact O-N 3.44Å; S73-T77 PolarHBondContact O-OG1 3.37Å; K74-T77 PolarHBondContact O-N 3.21Å; T77-F79 PolarHBondContact O-N 3.49Å
78	S	52.2	Low	59	Low	68 Å²	68	79.7 Å²	79.7	48%	0.476	43%	0.427	S	S	.	.	H	α-helix	trans	-60.2	-28.9	165.9	170	0	0	0	0	112.2	K74 Y80 Q82	K74-S78 WeakPolarHBondContact O-CB 3.28Å; K74-S78 PolarHBondContact O-N 3.18Å; S78-Y80 VanDerWaalsContact C-N 3.32Å; S78-Y80 PolarHBondContact O-N 3.36Å; S78-Q82 WeakPolarHBondContact O-CG 3.43Å; S78-Q82 PolarHBondContact O-NE2 3.19Å
79	F	51	Low	61	Low	24 Å²	24	74.8 Å²	74.8	11%	0.105	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-36.3	-179.5	-153.1	-107.2	0	0	0	115.3	S75 V76 T77 R136 L149 H152	S75-F79 VanDerWaalsContact O-CB 3.31Å; S75-F79 WeakPolarHBondContact O-CB 3.44Å; S75-F79 PolarHBondContact O-N 3.49Å; V76-F79 VanDerWaalsContact C-CB 3.48Å; V76-F79 WeakPolarHBondContact O-CB 3.46Å; T77-F79 PolarHBondContact O-N 3.49Å; F79-R136 VanDerWaalsContact O-CZ 3.31Å; F79-R136 PolarHBondContact O-NE 3.36Å; F79-R136 VanDerWaalsContact O-NE 3.11Å; F79-R136 PolarHBondContact O-NH2 3.19Å; F79-L149 HydrophobicContact CD2-CD1 4.34Å; F79-L149 HydrophobicContact CE2-CD1 3.23Å; F79-L149 HydrophobicContact CE2-CG 4.5Å; F79-L149 HydrophobicContact CZ-CD1 3.44Å; F79-L149 VanDerWaalsContact CZ-CD1 3.44Å; F79-H152 AromaticContact CD1-CE1 4Å; F79-H152 AromaticContact CE1-CE1 3.51Å; F79-H152 AromaticContact CE1-ND1 3.64Å; F79-H152 AromaticContact CE2-CE1 3.49Å; F79-H152 VanDerWaalsContact CE2-CE1 3.49Å; F79-H152 WeakPolarHBondContact CE2-CE1 3.46Å; F79-H152 AromaticContact CE2-ND1 3.08Å; F79-H152 WeakPolarHBondContact CE2-ND1 3.47Å; F79-H152 AromaticContact CZ-CE1 3.27Å; F79-H152 WeakPolarHBondContact CZ-CE1 3.41Å; F79-H152 AromaticContact CZ-ND1 2.9Å; F79-H152 WeakPolarHBondContact CZ-ND1 3.45Å
80	Y	54.4	Low	63	Low	106 Å²	106	79.7 Å²	79.7	42%	0.416	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.9	-17.6	-173.4	-66.9	-75.1	0	0	0	113.6	V76 S78 Q82 R136	V76-Y80 HydrophobicContact CG1-CE2 4.45Å; V76-Y80 WeakPolarHBondContact O-CD2 3.27Å; S78-Y80 VanDerWaalsContact C-N 3.32Å; S78-Y80 PolarHBondContact O-N 3.36Å; Y80-Q82 PolarHBondContact O-N 3.3Å; Y80-R136 HydrophobicContact CD1-CG 4.36Å; Y80-R136 HydrophobicContact CE1-CB 4.28Å; Y80-R136 HydrophobicContact CE1-CG 4.22Å
81	N	55.8	Low	65.1	Low	133 Å²	133	77.7 Å²	77.7	71%	0.711	41%	0.412	S	S	*	.			trans	-102.6	71	-179.1	-75.4	-21.6	0	0	0	111.3
82	Q	70.9	Confident	67	Low	31 Å²	31	76.3 Å²	76.3	15%	0.145	42%	0.422	C	S	.	.			trans	-129.6	81.9	173.2	-62.8	-178.4	2.7	0	0	110.2	S78 Y80 A84 I85 D86	S78-Q82 WeakPolarHBondContact O-CG 3.43Å; S78-Q82 PolarHBondContact O-NE2 3.19Å; Y80-Q82 PolarHBondContact O-N 3.3Å; Q82-A84 PolarHBondContact O-N 3.29Å; Q82-A84 VanDerWaalsContact O-N 3.13Å; Q82-I85 HydrophobicContact CB-CB 4.35Å; Q82-I85 HydrophobicContact CB-CD1 4.25Å; Q82-I85 HydrophobicContact CB-CG1 4.12Å; Q82-I85 PolarHBondContact O-N 3.44Å; Q82-D86 PolarHBondContact O-N 2.96Å
83	S	74.8	Confident	68.5	Low	96 Å²	96	69.9 Å²	69.9	67%	0.671	40%	0.404	S	S	*	.	H	α-helix	trans	-54.3	-35.1	-174.4	56.8	0	0	0	0	113.7	I85 D86 V87	S83-I85 VanDerWaalsContact C-N 3.34Å; S83-I85 PolarHBondContact O-N 3.06Å; S83-D86 PolarHBondContact O-N 3.09Å; S83-V87 VanDerWaalsContact O-CG2 3.25Å; S83-V87 WeakPolarHBondContact O-CG2 2.97Å; S83-V87 PolarHBondContact O-N 3.4Å
84	A	80.9	Confident	70.2	Confident	55 Å²	55	70.4 Å²	70.4	46%	0.455	41%	0.405	S	S	.	.	H	α-helix	trans	-63.8	-37.6	178.2	0	0	0	0	0	112.8	Q82 S88 Y159	Q82-A84 PolarHBondContact O-N 3.29Å; Q82-A84 VanDerWaalsContact O-N 3.13Å; A84-S88 PolarHBondContact O-N 2.67Å; A84-S88 VanDerWaalsContact O-N 3.13Å; A84-S88 PolarHBondContact O-OG 3.28Å; A84-Y159 PolarHBondContact O-OH 2.96Å
85	I	84.8	Confident	71.3	Confident	1 Å²	1	71.8 Å²	71.8	1%	0.005	41%	0.406	C	S	.	.	H	α-helix	trans	-69.8	-43.6	177.7	-61.5	-166	0	0	0	110	Q82 S83 V87 S88 A89 A129 I132 Y159	Q82-I85 HydrophobicContact CB-CB 4.35Å; Q82-I85 HydrophobicContact CB-CD1 4.25Å; Q82-I85 HydrophobicContact CB-CG1 4.12Å; Q82-I85 PolarHBondContact O-N 3.44Å; S83-I85 VanDerWaalsContact C-N 3.34Å; S83-I85 PolarHBondContact O-N 3.06Å; I85-V87 PolarHBondContact O-N 2.85Å; I85-S88 CarbonylContact O-C 3.42Å; I85-S88 PolarHBondContact O-N 3.38Å; I85-A89 WeakPolarHBondContact O-CB 2.99Å; I85-A89 PolarHBondContact O-N 3.3Å; I85-A129 HydrophobicContact CG2-CB 4.03Å; I85-I132 HydrophobicContact CD1-CD1 3.77Å; I85-I132 HydrophobicContact CD1-CG2 4.4Å; I85-I132 HydrophobicContact CG2-CB 4.21Å; I85-I132 HydrophobicContact CG2-CD1 4.21Å; I85-I132 HydrophobicContact CG2-CG2 3.95Å; I85-Y159 HydrophobicContact CD1-CD1 3.88Å; I85-Y159 HydrophobicContact CD1-CE1 4.36Å; I85-Y159 HydrophobicContact CD1-CG 4.16Å; I85-Y159 HydrophobicContact CG1-CD1 3.61Å; I85-Y159 HydrophobicContact CG1-CE1 3.58Å; I85-Y159 HydrophobicContact CG1-CE2 4.48Å; I85-Y159 HydrophobicContact CG1-CG 4.12Å
86	D	85.6	Confident	72.1	Confident	57 Å²	57	70.8 Å²	70.8	31%	0.305	40%	0.397	S	S	.	.	H	α-helix	trans	-63.3	-43.8	-178.6	-62.1	-43.7	0	0	0	111	Q82 S83 S88 A89 E90 R136	Q82-D86 PolarHBondContact O-N 2.96Å; S83-D86 PolarHBondContact O-N 3.09Å; D86-S88 VanDerWaalsContact C-N 3.33Å; D86-S88 PolarHBondContact O-N 2.72Å; D86-A89 PolarHBondContact O-N 3.05Å; D86-A89 VanDerWaalsContact O-N 3.12Å; D86-E90 WeakPolarHBondContact O-CG 2.91Å; D86-E90 PolarHBondContact O-N 3.37Å; D86-E90 VanDerWaalsContact O-N 3.12Å; D86-R136 IonicContact OD1-NH1 2.76Å; D86-R136 PolarHBondContact OD1-NH1 2.92Å; D86-R136 IonicContact OD2-NH1 3.19Å
87	V	86.4	Confident	73.2	Confident	84 Å²	84	69.4 Å²	69.4	51%	0.509	39%	0.388	S	S	.	.	H	α-helix	trans	-59.9	-41	173.6	171.6	0	0	0	0	111.9	S83 I85	S83-V87 VanDerWaalsContact O-CG2 3.25Å; S83-V87 WeakPolarHBondContact O-CG2 2.97Å; S83-V87 PolarHBondContact O-N 3.4Å; I85-V87 PolarHBondContact O-N 2.85Å
88	S	84.3	Confident	74.1	Confident	9 Å²	9	65.2 Å²	65.2	6%	0.063	36%	0.363	C	S	.	.	H	α-helix	trans	-72.2	-29.5	176.5	-72.8	0	0	0	0	112.9	A84 I85 D86 E90 K91 Y159	A84-S88 PolarHBondContact O-N 2.67Å; A84-S88 VanDerWaalsContact O-N 3.13Å; A84-S88 PolarHBondContact O-OG 3.28Å; I85-S88 CarbonylContact O-C 3.42Å; I85-S88 PolarHBondContact O-N 3.38Å; D86-S88 VanDerWaalsContact C-N 3.33Å; D86-S88 PolarHBondContact O-N 2.72Å; S88-E90 VanDerWaalsContact C-N 3.3Å; S88-E90 PolarHBondContact O-N 3.26Å; S88-K91 WeakPolarHBondContact O-CB 3.35Å; S88-K91 PolarHBondContact O-N 2.85Å; S88-Y159 WeakPolarHBondContact CB-OH 3.5Å; S88-Y159 PolarHBondContact OG-OH 3.12Å
89	A	86.1	Confident	74.6	Confident	8 Å²	8	63 Å²	63	7%	0.066	35%	0.349	C	S	.	.	H	α-helix	trans	-74	-20.5	177.7	0	0	0	0	0	113.1	I85 D86 A129 H130 K133	I85-A89 WeakPolarHBondContact O-CB 2.99Å; I85-A89 PolarHBondContact O-N 3.3Å; D86-A89 PolarHBondContact O-N 3.05Å; D86-A89 VanDerWaalsContact O-N 3.12Å; A89-A129 HydrophobicContact CB-CB 4.02Å; A89-H130 PolarHBondContact O-CD2 3.16Å; A89-H130 PolarHBondContact O-NE2 3.25Å; A89-H130 VanDerWaalsContact O-NE2 3.1Å; A89-K133 HydrophobicContact CB-CB 4.33Å; A89-K133 HydrophobicContact CB-CD 4.03Å
90	E	87.7	Confident	75.5	Confident	154 Å²	154	65.5 Å²	65.5	72%	0.72	37%	0.366	S	S	*	.	H	α-helix	trans	-78.3	-20.8	172.8	-72.1	175.8	178.7	0	0	113	D86 S88	D86-E90 WeakPolarHBondContact O-CG 2.91Å; D86-E90 PolarHBondContact O-N 3.37Å; D86-E90 VanDerWaalsContact O-N 3.12Å; S88-E90 VanDerWaalsContact C-N 3.3Å; S88-E90 PolarHBondContact O-N 3.26Å
91	K	87.2	Confident	76.2	Confident	105 Å²	105	61.3 Å²	61.3	46%	0.457	35%	0.351	S	S	.	.	S	Bend	trans	-67.1	139.3	177	-63.9	172	-173.4	162.6	0	110.3	S88 V126 H130	S88-K91 WeakPolarHBondContact O-CB 3.35Å; S88-K91 PolarHBondContact O-N 2.85Å; K91-V126 HydrophobicContact CB-CG1 4.05Å; K91-V126 HydrophobicContact CB-CG2 4.16Å; K91-V126 HydrophobicContact CD-CG2 4.03Å; K91-H130 PolarHBondContact O-CE1 2.86Å; K91-H130 VanDerWaalsContact O-CE1 3.26Å; K91-H130 PolarHBondContact O-NE2 2.95Å
92	A	82.7	Confident	76.7	Confident	91 Å²	91	57 Å²	57	75%	0.752	33%	0.327	S	S	*	.	P	Polyproline II helix	trans	-69.2	132.9	170.2	0	0	0	0	0	110
93	S	79.8	Confident	76.2	Confident	45 Å²	45	64.2 Å²	64.2	32%	0.315	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-75.8	136.1	171.8	50	0	0	0	0	110.2	R95 E123	S93-R95 PolarHBondContact O-N 3.15Å; S93-E123 WeakPolarHBondContact CB-OE1 2.81Å
94	V	78.2	Confident	75.7	Confident	79 Å²	79	62.2 Å²	62.2	48%	0.479	34%	0.341	S	S	.	.			trans	-86.9	113.1	179.3	-179	0	0	0	0	107.8	Y119 E123 R127	V94-Y119 PolarHBondContact O-OH 3.09Å; V94-E123 PolarHBondContact N-OE1 3.22Å; V94-E123 PolarHBondContact N-OE2 3.18Å; V94-R127 PolarHBondContact O-NH2 2.79Å
95	R	70.4	Confident	74.6	Confident	158 Å²	158	61.2 Å²	61.2	60%	0.596	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-83.8	121.5	174	-56.5	-168.8	179.4	-172.4	0	110.2	S93 R436 V437	S93-R95 PolarHBondContact O-N 3.15Å; R95-R436 HydrophobicContact CB-CB 3.63Å; R95-V437 CarbonylContact C-O 3.56Å; R95-V437 VanDerWaalsContact CA-O 3.31Å; R95-V437 WeakPolarHBondContact CA-O 3.45Å
96	L	68.8	Low	73.6	Confident	28 Å²	28	65.6 Å²	65.6	15%	0.147	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-91.7	140.9	176.8	-73.4	175.5	0	0	0	110.5	T100 L101 Y119 L229 R436 V437	L96-T100 HydrophobicContact CD2-CG2 4.18Å; L96-L101 HydrophobicContact CD1-CD2 3.83Å; L96-L101 HydrophobicContact CD1-CG 4.38Å; L96-Y119 HydrophobicContact CD1-CD1 4.02Å; L96-Y119 HydrophobicContact CD1-CD2 4.42Å; L96-Y119 HydrophobicContact CD1-CE1 3.31Å; L96-Y119 HydrophobicContact CD1-CE2 3.79Å; L96-Y119 VanDerWaalsContact CD1-OH 3.3Å; L96-Y119 WeakPolarHBondContact CD1-OH 3.44Å; L96-Y119 HydrophobicContact CD2-CE2 4.34Å; L96-Y119 HydrophobicContact CG-CE1 4.27Å; L96-Y119 HydrophobicContact CG-CE2 4.09Å; L96-Y119 WeakPolarHBondContact CG-OH 3.31Å; L96-L229 HydrophobicContact CD1-CD2 4.41Å; L96-R436 CarbonylContact O-C 3.53Å; L96-R436 VanDerWaalsContact O-CA 3.26Å; L96-R436 WeakPolarHBondContact O-CA 3.36Å; L96-V437 PolarHBondContact N-O 3.46Å; L96-V437 PolarHBondContact O-N 2.7Å
97	T	70	Confident	72.6	Confident	37 Å²	37	64.7 Å²	64.7	23%	0.227	35%	0.353	C	S	.	.	B	Isolated β-bridge	trans	-75.5	146.9	165.7	71.7	0	0	0	0	109.3	A99 T100 L101 R436	T97-A99 PolarHBondContact O-N 3.33Å; T97-T100 WeakPolarHBondContact O-CB 3.34Å; T97-T100 PolarHBondContact O-N 3.2Å; T97-T100 PolarHBondContact OG1-N 2.88Å; T97-T100 VanDerWaalsContact OG1-N 3.16Å; T97-T100 PolarHBondContact OG1-OG1 3.35Å; T97-L101 PolarHBondContact O-N 3.16Å; T97-R436 HydrophobicContact CG2-CG 4.1Å
98	L	65.4	Low	71.5	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-63.8	-27.4	174.2	-86.4	76.6	0	0	0	112.6	T100 L101 L102 I291 I428 F435 V437	L98-T100 VanDerWaalsContact C-N 3.3Å; L98-T100 PolarHBondContact O-N 3.17Å; L98-L101 PolarHBondContact O-N 3.27Å; L98-L102 WeakPolarHBondContact O-CB 3.28Å; L98-L102 PolarHBondContact O-N 3.49Å; L98-I291 HydrophobicContact CD2-CD1 3.23Å; L98-I291 HydrophobicContact CD2-CG1 3.69Å; L98-I291 HydrophobicContact CG-CD1 3.9Å; L98-I428 HydrophobicContact CB-CG1 4.45Å; L98-I428 HydrophobicContact CB-CG2 3.73Å; L98-I428 HydrophobicContact CD2-CD1 3.6Å; L98-I428 HydrophobicContact CD2-CG1 3.7Å; L98-I428 HydrophobicContact CD2-CG2 4.48Å; L98-F435 HydrophobicContact CD1-CD2 3.56Å; L98-F435 HydrophobicContact CD1-CE1 4.19Å; L98-F435 HydrophobicContact CD1-CE2 3.09Å; L98-F435 HydrophobicContact CD1-CG 4.28Å; L98-F435 HydrophobicContact CD1-CZ 3.48Å; L98-F435 VanDerWaalsContact CD1-CZ 3.48Å; L98-F435 HydrophobicContact CD2-CE1 3.99Å; L98-F435 HydrophobicContact CD2-CE2 3.81Å; L98-F435 HydrophobicContact CD2-CZ 3.3Å; L98-F435 HydrophobicContact CG-CE2 4.09Å; L98-F435 HydrophobicContact CG-CZ 4.03Å; L98-V437 HydrophobicContact CD1-CG2 3.54Å
99	A	61.8	Low	70.7	Confident	23 Å²	23	73.1 Å²	73.1	19%	0.19	40%	0.401	C	S	.	.	H	α-helix	trans	-58	-46.5	171.2	0	0	0	0	0	110.2	T97 L101 L102 Y103	T97-A99 PolarHBondContact O-N 3.33Å; A99-L101 VanDerWaalsContact C-N 3.31Å; A99-L101 PolarHBondContact O-N 3.3Å; A99-L102 PolarHBondContact O-N 2.91Å; A99-Y103 HydrophobicContact CB-CD2 4.24Å; A99-Y103 HydrophobicContact CB-CE2 4.26Å; A99-Y103 WeakPolarHBondContact O-CB 3.04Å; A99-Y103 WeakPolarHBondContact O-CD2 3.41Å; A99-Y103 PolarHBondContact O-N 3.47Å
100	T	69.6	Low	70.3	Confident	75 Å²	75	73.7 Å²	73.7	46%	0.46	41%	0.408	S	S	.	.	H	α-helix	trans	-58.6	-41.2	175.6	-48.5	0	0	0	0	112.2	L96 T97 L98 S104	L96-T100 HydrophobicContact CD2-CG2 4.18Å; T97-T100 WeakPolarHBondContact O-CB 3.34Å; T97-T100 PolarHBondContact O-N 3.2Å; T97-T100 PolarHBondContact OG1-N 2.88Å; T97-T100 VanDerWaalsContact OG1-N 3.16Å; T97-T100 PolarHBondContact OG1-OG1 3.35Å; L98-T100 VanDerWaalsContact C-N 3.3Å; L98-T100 PolarHBondContact O-N 3.17Å; T100-S104 WeakPolarHBondContact O-CB 3.23Å; T100-S104 PolarHBondContact O-N 3.03Å; T100-S104 VanDerWaalsContact O-N 3.09Å; T100-S104 PolarHBondContact O-OG 3.46Å
101	L	70.3	Confident	70	Confident	19 Å²	19	71.8 Å²	71.8	10%	0.099	40%	0.399	C	S	.	.	H	α-helix	trans	-66.9	-40.9	175.8	-68.8	173.1	0	0	0	112.2	L96 T97 L98 A99 S104 L229 I247	L96-L101 HydrophobicContact CD1-CD2 3.83Å; L96-L101 HydrophobicContact CD1-CG 4.38Å; T97-L101 PolarHBondContact O-N 3.16Å; L98-L101 PolarHBondContact O-N 3.27Å; A99-L101 VanDerWaalsContact C-N 3.31Å; A99-L101 PolarHBondContact O-N 3.3Å; L101-S104 PolarHBondContact O-N 3.41Å; L101-S104 PolarHBondContact O-OG 3.06Å; L101-L229 HydrophobicContact CD1-CD2 4.25Å; L101-L229 HydrophobicContact CD2-CD2 4.4Å; L101-I247 HydrophobicContact CB-CD1 4.17Å
102	L	65.5	Low	69.8	Low	41 Å²	41	68.1 Å²	68.1	22%	0.215	38%	0.383	C	S	.	.	H	α-helix	trans	-66.8	-40.3	178.8	-171.4	116.5	0	0	0	112.3	L98 A99 I247	L98-L102 WeakPolarHBondContact O-CB 3.28Å; L98-L102 PolarHBondContact O-N 3.49Å; A99-L102 PolarHBondContact O-N 2.91Å; L102-I247 HydrophobicContact CB-CD1 3.87Å; L102-I247 HydrophobicContact CD1-CB 4.32Å; L102-I247 HydrophobicContact CD1-CD1 4.1Å; L102-I247 HydrophobicContact CD1-CG2 3.6Å
103	Y	61.2	Low	70.1	Confident	184 Å²	184	64.2 Å²	64.2	72%	0.722	35%	0.35	S	S	*	.	H	α-helix	trans	-85	-7.2	-178.6	-69	-65.5	0	0	0	113.8	A99 G105	A99-Y103 HydrophobicContact CB-CD2 4.24Å; A99-Y103 HydrophobicContact CB-CE2 4.26Å; A99-Y103 WeakPolarHBondContact O-CB 3.04Å; A99-Y103 WeakPolarHBondContact O-CD2 3.41Å; A99-Y103 PolarHBondContact O-N 3.47Å; Y103-G105 PolarHBondContact O-N 3.48Å
104	S	62.5	Low	70.6	Confident	54 Å²	54	63.3 Å²	63.3	38%	0.378	34%	0.341	S	S	.	.	S	Bend	trans	-71.9	28.4	168.1	64.9	0	0	0	0	113.8	T100 L101	T100-S104 WeakPolarHBondContact O-CB 3.23Å; T100-S104 PolarHBondContact O-N 3.03Å; T100-S104 VanDerWaalsContact O-N 3.09Å; T100-S104 PolarHBondContact O-OG 3.46Å; L101-S104 PolarHBondContact O-N 3.41Å; L101-S104 PolarHBondContact O-OG 3.06Å
105	G	59.3	Low	71.1	Confident	34 Å²	34	62 Å²	62	35%	0.351	34%	0.336	S	S	.	.			trans	-62	163.9	-165.6	0	0	0	0	0	116.4	Y103 S107	Y103-G105 PolarHBondContact O-N 3.48Å; G105-S107 PolarHBondContact O-N 2.89Å
106	K	62.7	Low	72	Confident	93 Å²	93	55.5 Å²	55.5	40%	0.404	32%	0.315	S	S	.	.			trans	-45.9	102.6	-172.6	-69.4	-178.1	170.7	-178.1	0	112.8	E238 D239	K106-E238 PolarHBondContact NZ-O 3.38Å; K106-D239 IonicContact NZ-OD1 2.87Å; K106-D239 PolarHBondContact NZ-OD1 3.43Å
107	S	65.5	Low	73.1	Confident	37 Å²	37	54.1 Å²	54.1	26%	0.259	31%	0.308	S	S	.	.			trans	-79.5	133.5	160.9	163.2	0	0	0	0	108.9	G105 D109 G110 H112	G105-S107 PolarHBondContact O-N 2.89Å; S107-D109 PolarHBondContact O-N 2.83Å; S107-D109 VanDerWaalsContact O-N 3.12Å; S107-D109 PolarHBondContact OG-N 2.72Å; S107-G110 PolarHBondContact O-N 3.22Å; S107-G110 VanDerWaalsContact O-N 3.14Å; S107-H112 PolarHBondContact N-ND1 2.86Å; S107-H112 PolarHBondContact O-CE1 2.95Å; S107-H112 VanDerWaalsContact O-CE1 3.27Å; S107-H112 PolarHBondContact O-ND1 2.83Å; S107-H112 VanDerWaalsContact O-ND1 3.12Å
108	P	63.8	Low	74.1	Confident	129 Å²	129	57 Å²	57	84%	0.838	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-23	179.6	24.3	-32.9	0	0	0	112.6	G110	P108-G110 VanDerWaalsContact C-N 3.29Å; P108-G110 PolarHBondContact O-N 3.47Å
109	D	67.3	Low	75.3	Confident	141 Å²	141	59.8 Å²	59.8	75%	0.754	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	3.6	-177.1	-48.3	-38.6	0	0	0	113.1	S107 H111	S107-D109 PolarHBondContact O-N 2.83Å; S107-D109 VanDerWaalsContact O-N 3.12Å; S107-D109 PolarHBondContact OG-N 2.72Å; D109-H111 PolarHBondContact O-N 3.47Å
110	G	76.4	Confident	76.8	Confident	20 Å²	20	58.8 Å²	58.8	21%	0.206	32%	0.319	C	S	.	.	S	Bend	trans	70.4	-2.6	-178.5	0	0	0	0	0	115	S107 P108 H112 V113 L114	S107-G110 PolarHBondContact O-N 3.22Å; S107-G110 VanDerWaalsContact O-N 3.14Å; P108-G110 VanDerWaalsContact C-N 3.29Å; P108-G110 PolarHBondContact O-N 3.47Å; G110-H112 PolarHBondContact O-N 3.32Å; G110-H112 VanDerWaalsContact O-N 3.1Å; G110-V113 WeakPolarHBondContact O-CB 3.37Å; G110-V113 PolarHBondContact O-N 3.43Å; G110-L114 PolarHBondContact O-N 3.27Å
111	H	81.9	Confident	77.9	Confident	114 Å²	114	56.9 Å²	56.9	53%	0.528	31%	0.305	S	S	.	.	H	α-helix	trans	-58.3	-29.8	-176.9	-168.9	-86.6	0	0	0	113.8	D109 V113 L114 S115	D109-H111 PolarHBondContact O-N 3.47Å; H111-V113 VanDerWaalsContact C-N 3.33Å; H111-V113 PolarHBondContact O-N 2.98Å; H111-L114 PolarHBondContact O-N 3.26Å; H111-S115 PolarHBondContact CE1-OG 2.95Å; H111-S115 PolarHBondContact ND1-OG 3.23Å; H111-S115 WeakPolarHBondContact O-CB 3.35Å; H111-S115 PolarHBondContact O-N 2.99Å; H111-S115 PolarHBondContact O-OG 3.46Å
112	H	83.7	Confident	78.9	Confident	29 Å²	29	64 Å²	64	13%	0.134	34%	0.335	C	S	.	.	H	α-helix	trans	-64.1	-36.2	176.2	68.7	-75.6	0	0	0	112.3	S107 G110 S115 S116	S107-H112 PolarHBondContact N-ND1 2.86Å; S107-H112 PolarHBondContact O-CE1 2.95Å; S107-H112 VanDerWaalsContact O-CE1 3.27Å; S107-H112 PolarHBondContact O-ND1 2.83Å; S107-H112 VanDerWaalsContact O-ND1 3.12Å; G110-H112 PolarHBondContact O-N 3.32Å; G110-H112 VanDerWaalsContact O-N 3.1Å; H112-S115 PolarHBondContact O-N 3.07Å; H112-S116 WeakPolarHBondContact O-CB 3.29Å; H112-S116 PolarHBondContact O-N 3.47Å
113	V	88.4	Confident	80.1	Confident	8 Å²	8	62.4 Å²	62.4	5%	0.048	33%	0.327	C	S	.	.	H	α-helix	trans	-67.8	-47.1	176.6	-178.5	0	0	0	0	110.5	G110 H111 S115 S116 A117 E174 L236 H237	G110-V113 WeakPolarHBondContact O-CB 3.37Å; G110-V113 PolarHBondContact O-N 3.43Å; H111-V113 VanDerWaalsContact C-N 3.33Å; H111-V113 PolarHBondContact O-N 2.98Å; V113-S115 VanDerWaalsContact C-N 3.29Å; V113-S115 PolarHBondContact O-N 3.21Å; V113-S116 WeakPolarHBondContact O-CB 3.25Å; V113-S116 PolarHBondContact O-N 3.34Å; V113-A117 WeakPolarHBondContact O-CB 3.47Å; V113-A117 PolarHBondContact O-N 3.38Å; V113-E174 HydrophobicContact CG1-CG 4.22Å; V113-E174 VanDerWaalsContact CG1-OE1 3.28Å; V113-E174 WeakPolarHBondContact CG1-OE1 3.2Å; V113-L236 HydrophobicContact CG2-CB 4.46Å; V113-H237 WeakPolarHBondContact CG1-NE2 3.37Å
114	L	90.1	Very high	81.6	Confident	26 Å²	26	54 Å²	54	14%	0.136	29%	0.294	C	S	.	.	H	α-helix	trans	-60.8	-39	176.1	-68.7	175.4	0	0	0	112.1	G110 H111 A117 K118 I168 E174	G110-L114 PolarHBondContact O-N 3.27Å; H111-L114 PolarHBondContact O-N 3.26Å; L114-A117 PolarHBondContact O-N 3.49Å; L114-K118 WeakPolarHBondContact O-CB 3.41Å; L114-K118 VanDerWaalsContact O-CG 3.27Å; L114-K118 WeakPolarHBondContact O-CG 3.38Å; L114-K118 PolarHBondContact O-N 3.24Å; L114-I168 HydrophobicContact CD2-CG2 4.35Å; L114-E174 HydrophobicContact CD2-CB 3.82Å; L114-E174 HydrophobicContact CD2-CG 4.17Å
115	S	88.1	Confident	83.1	Confident	53 Å²	53	52 Å²	52	37%	0.371	28%	0.28	S	S	.	.	H	α-helix	trans	-66.5	-42.7	176.6	-58.5	0	0	0	0	111.5	H111 H112 V113 K118 Y119	H111-S115 PolarHBondContact CE1-OG 2.95Å; H111-S115 PolarHBondContact ND1-OG 3.23Å; H111-S115 WeakPolarHBondContact O-CB 3.35Å; H111-S115 PolarHBondContact O-N 2.99Å; H111-S115 PolarHBondContact O-OG 3.46Å; H112-S115 PolarHBondContact O-N 3.07Å; V113-S115 VanDerWaalsContact C-N 3.29Å; V113-S115 PolarHBondContact O-N 3.21Å; S115-K118 PolarHBondContact O-N 2.92Å; S115-Y119 PolarHBondContact O-N 3.45Å
116	S	90	Very high	84.7	Confident	20 Å²	20	50.9 Å²	50.9	14%	0.14	27%	0.266	C	S	.	.	H	α-helix	trans	-60.3	-44.6	172.9	177.6	0	0	0	0	111.7	H112 V113 Y119 L120 H233	H112-S116 WeakPolarHBondContact O-CB 3.29Å; H112-S116 PolarHBondContact O-N 3.47Å; V113-S116 WeakPolarHBondContact O-CB 3.25Å; V113-S116 PolarHBondContact O-N 3.34Å; S116-Y119 PolarHBondContact O-N 3.48Å; S116-L120 WeakPolarHBondContact O-CB 3.38Å; S116-L120 PolarHBondContact O-N 2.95Å; S116-H233 PolarHBondContact OG-ND1 3.48Å
117	A	91.8	Very high	86.2	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-62.9	-46.3	179.6	0	0	0	0	0	111.5	V113 L114 Y119 L120 H121 I168 E174 F177	V113-A117 WeakPolarHBondContact O-CB 3.47Å; V113-A117 PolarHBondContact O-N 3.38Å; L114-A117 PolarHBondContact O-N 3.49Å; A117-Y119 VanDerWaalsContact C-N 3.34Å; A117-Y119 PolarHBondContact O-N 3.26Å; A117-L120 PolarHBondContact O-N 3.43Å; A117-H121 WeakPolarHBondContact O-CB 3.34Å; A117-H121 PolarHBondContact O-N 2.85Å; A117-I168 HydrophobicContact CB-CD1 3.67Å; A117-I168 HydrophobicContact CB-CG2 4.21Å; A117-E174 HydrophobicContact CB-CG 3.63Å; A117-F177 HydrophobicContact CB-CD1 4.37Å
118	K	91.7	Very high	87.6	Confident	98 Å²	98	45.7 Å²	45.7	43%	0.426	24%	0.239	S	C	.	.	H	α-helix	trans	-60.9	-41.1	175.9	-74.1	169.9	-178.6	172.8	0	112.2	L114 S115 K122 I168	L114-K118 WeakPolarHBondContact O-CB 3.41Å; L114-K118 VanDerWaalsContact O-CG 3.27Å; L114-K118 WeakPolarHBondContact O-CG 3.38Å; L114-K118 PolarHBondContact O-N 3.24Å; S115-K118 PolarHBondContact O-N 2.92Å; K118-K122 PolarHBondContact O-N 3.21Å; K118-I168 WeakPolarHBondContact CE-O 3.47Å; K118-I168 HydrophobicContact CG-CB 4.33Å
119	Y	90.5	Very high	89.1	Confident	57 Å²	57	39.5 Å²	39.5	22%	0.224	20%	0.199	C	C	.	.	H	α-helix	trans	-61	-49.2	173.7	171.9	-96.8	0	0	0	111	V94 L96 S115 S116 A117 H121 K122 E123 L229	V94-Y119 PolarHBondContact O-OH 3.09Å; L96-Y119 HydrophobicContact CD1-CD1 4.02Å; L96-Y119 HydrophobicContact CD1-CD2 4.42Å; L96-Y119 HydrophobicContact CD1-CE1 3.31Å; L96-Y119 HydrophobicContact CD1-CE2 3.79Å; L96-Y119 VanDerWaalsContact CD1-OH 3.3Å; L96-Y119 WeakPolarHBondContact CD1-OH 3.44Å; L96-Y119 HydrophobicContact CD2-CE2 4.34Å; L96-Y119 HydrophobicContact CG-CE1 4.27Å; L96-Y119 HydrophobicContact CG-CE2 4.09Å; L96-Y119 WeakPolarHBondContact CG-OH 3.31Å; S115-Y119 PolarHBondContact O-N 3.45Å; S116-Y119 PolarHBondContact O-N 3.48Å; A117-Y119 VanDerWaalsContact C-N 3.34Å; A117-Y119 PolarHBondContact O-N 3.26Å; Y119-H121 PolarHBondContact O-N 3.35Å; Y119-K122 PolarHBondContact O-N 3.1Å; Y119-E123 HydrophobicContact CE1-CB 4.14Å; Y119-E123 HydrophobicContact CE1-CG 4.27Å; Y119-E123 HydrophobicContact CE2-CB 4.32Å; Y119-E123 WeakPolarHBondContact O-CB 3.49Å; Y119-E123 PolarHBondContact O-N 3.15Å; Y119-L229 HydrophobicContact CE1-CD1 4.29Å; Y119-L229 HydrophobicContact CE1-CD2 4.17Å
120	L	91.9	Very high	90.3	Very high	3 Å²	3	34.9 Å²	34.9	2%	0.016	17%	0.173	C	C	.	.	H	α-helix	trans	-64	-41.7	-178	-167.9	67.1	0	0	0	112.1	S116 A117 K122 E123 L124 F177 V181 L229 H233	S116-L120 WeakPolarHBondContact O-CB 3.38Å; S116-L120 PolarHBondContact O-N 2.95Å; A117-L120 PolarHBondContact O-N 3.43Å; L120-K122 VanDerWaalsContact C-N 3.27Å; L120-K122 PolarHBondContact O-N 3.36Å; L120-E123 PolarHBondContact O-N 3.21Å; L120-L124 HydrophobicContact CD1-CD1 3.8Å; L120-L124 HydrophobicContact CD1-CD2 3.75Å; L120-L124 HydrophobicContact CD1-CG 3.53Å; L120-L124 HydrophobicContact CD2-CD1 4.1Å; L120-L124 HydrophobicContact CG-CD1 3.59Å; L120-L124 HydrophobicContact CG-CD2 4.46Å; L120-L124 HydrophobicContact CG-CG 3.73Å; L120-L124 WeakPolarHBondContact O-CB 3.46Å; L120-L124 WeakPolarHBondContact O-CG 3.21Å; L120-L124 PolarHBondContact O-N 2.9Å; L120-F177 HydrophobicContact CB-CE1 4.13Å; L120-F177 HydrophobicContact CB-CZ 4.5Å; L120-F177 HydrophobicContact CD2-CE1 3.92Å; L120-F177 HydrophobicContact CD2-CZ 4.4Å; L120-F177 HydrophobicContact CG-CE1 4.19Å; L120-F177 HydrophobicContact CG-CZ 4.37Å; L120-V181 HydrophobicContact CD2-CG1 4.43Å; L120-V181 HydrophobicContact CD2-CG2 4.07Å; L120-L229 HydrophobicContact CD1-CB 3.78Å; L120-H233 HydrophobicContact CD2-CB 3.96Å
121	H	92.9	Very high	91.2	Very high	35 Å²	35	35.1 Å²	35.1	16%	0.162	17%	0.168	C	C	.	.	H	α-helix	trans	-60.1	-35.3	175.5	-176	-113.4	0	0	0	112.5	A117 Y119 P125 V162 F165 I168 F177	A117-H121 WeakPolarHBondContact O-CB 3.34Å; A117-H121 PolarHBondContact O-N 2.85Å; Y119-H121 PolarHBondContact O-N 3.35Å; H121-P125 WeakPolarHBondContact O-CD 3.22Å; H121-P125 WeakPolarHBondContact O-CG 3.03Å; H121-V162 PolarHBondContact NE2-O 2.88Å; H121-F165 PolarHBondContact NE2-O 3.5Å; H121-I168 HydrophobicContact CB-CD1 3.91Å; H121-F177 HydrophobicContact CB-CE2 4.35Å; H121-F177 HydrophobicContact CB-CZ 4.03Å; H121-F177 AromaticContact CD2-CE2 3.92Å
122	K	91.3	Very high	91.8	Very high	168 Å²	168	29.7 Å²	29.7	73%	0.73	14%	0.143	S	C	*	.	H	α-helix	trans	-78.1	-38.6	175.8	-173.2	179.2	177.9	-177.3	0	113.2	K118 Y119 L120	K118-K122 PolarHBondContact O-N 3.21Å; Y119-K122 PolarHBondContact O-N 3.1Å; L120-K122 VanDerWaalsContact C-N 3.27Å; L120-K122 PolarHBondContact O-N 3.36Å
123	E	90.7	Very high	92.2	Very high	8 Å²	8	32.7 Å²	32.7	4%	0.037	16%	0.155	C	C	.	.	H	α-helix	trans	-86.9	-38.1	-169.4	-173.3	66.1	-161.4	0	0	113.3	S93 V94 Y119 L120 V126 R127	S93-E123 WeakPolarHBondContact CB-OE1 2.81Å; V94-E123 PolarHBondContact N-OE1 3.22Å; V94-E123 PolarHBondContact N-OE2 3.18Å; Y119-E123 HydrophobicContact CE1-CB 4.14Å; Y119-E123 HydrophobicContact CE1-CG 4.27Å; Y119-E123 HydrophobicContact CE2-CB 4.32Å; Y119-E123 WeakPolarHBondContact O-CB 3.49Å; Y119-E123 PolarHBondContact O-N 3.15Å; L120-E123 PolarHBondContact O-N 3.21Å; E123-V126 PolarHBondContact O-N 2.88Å; E123-R127 HydrophobicContact CG-CG 4.27Å; E123-R127 VanDerWaalsContact CG-NE 3.34Å; E123-R127 PolarHBondContact O-N 2.8Å; E123-R127 VanDerWaalsContact O-N 3.16Å; E123-R127 IonicContact OE1-CZ 2.9Å; E123-R127 IonicContact OE1-NE 2.92Å; E123-R127 PolarHBondContact OE1-NE 3.3Å; E123-R127 IonicContact OE1-NH2 3.8Å
124	L	92.8	Very high	92.4	Very high	6 Å²	6	33 Å²	33	3%	0.031	16%	0.161	C	C	.	.	H	α-helix	trans	-58.2	-46.6	-177.8	-74.2	-175.4	0	0	0	113.5	L120 V126 R127 I128 V162 I226	L120-L124 HydrophobicContact CD1-CD1 3.8Å; L120-L124 HydrophobicContact CD1-CD2 3.75Å; L120-L124 HydrophobicContact CD1-CG 3.53Å; L120-L124 HydrophobicContact CD2-CD1 4.1Å; L120-L124 HydrophobicContact CG-CD1 3.59Å; L120-L124 HydrophobicContact CG-CD2 4.46Å; L120-L124 HydrophobicContact CG-CG 3.73Å; L120-L124 WeakPolarHBondContact O-CB 3.46Å; L120-L124 WeakPolarHBondContact O-CG 3.21Å; L120-L124 PolarHBondContact O-N 2.9Å; L124-V126 VanDerWaalsContact C-N 3.27Å; L124-V126 PolarHBondContact O-N 2.85Å; L124-R127 PolarHBondContact O-N 3.04Å; L124-I128 HydrophobicContact CB-CD1 4.37Å; L124-I128 WeakPolarHBondContact O-CB 3.46Å; L124-I128 VanDerWaalsContact O-CG1 3.23Å; L124-I128 WeakPolarHBondContact O-CG1 3.3Å; L124-I128 PolarHBondContact O-N 3.18Å; L124-V162 HydrophobicContact CB-CG1 4.16Å; L124-I226 HydrophobicContact CD2-CB 4.43Å; L124-I226 HydrophobicContact CD2-CG1 4.36Å; L124-I226 HydrophobicContact CD2-CG2 3.74Å
125	P	94.3	Very high	92.6	Very high	13 Å²	13	32.2 Å²	32.2	8%	0.084	16%	0.156	C	C	.	.	H	α-helix	trans	-58	-39.3	178.8	-26.7	36.8	0	0	0	112.9	H121 A129 Y159 V162	H121-P125 WeakPolarHBondContact O-CD 3.22Å; H121-P125 WeakPolarHBondContact O-CG 3.03Å; P125-A129 WeakPolarHBondContact O-CB 3.13Å; P125-A129 PolarHBondContact O-N 3.41Å; P125-Y159 HydrophobicContact CB-CD2 4.18Å; P125-Y159 HydrophobicContact CB-CE2 3.82Å; P125-Y159 WeakPolarHBondContact O-CD2 3.27Å; P125-Y159 WeakPolarHBondContact O-CE2 3.28Å; P125-V162 HydrophobicContact CG-CB 4.27Å; P125-V162 HydrophobicContact CG-CG1 3.66Å
126	V	93.3	Very high	92.7	Very high	11 Å²	11	31 Å²	31	7%	0.067	14%	0.143	C	C	.	.	H	α-helix	trans	-64.6	-49.3	178.8	177.8	0	0	0	0	110.5	K91 E123 L124 I128 A129 H130	K91-V126 HydrophobicContact CB-CG1 4.05Å; K91-V126 HydrophobicContact CB-CG2 4.16Å; K91-V126 HydrophobicContact CD-CG2 4.03Å; E123-V126 PolarHBondContact O-N 2.88Å; L124-V126 VanDerWaalsContact C-N 3.27Å; L124-V126 PolarHBondContact O-N 2.85Å; V126-I128 PolarHBondContact O-N 3.3Å; V126-A129 PolarHBondContact O-N 3.13Å; V126-H130 PolarHBondContact O-N 3.41Å
127	R	94	Very high	92.7	Very high	11 Å²	11	35.9 Å²	35.9	4%	0.042	17%	0.167	C	C	.	.	H	α-helix	trans	-64.6	-39.6	-179.7	-65.5	-177.8	177.7	-134	4.8	112.1	V94 E123 L124 H130 R131 I226 V437	V94-R127 PolarHBondContact O-NH2 2.79Å; E123-R127 HydrophobicContact CG-CG 4.27Å; E123-R127 VanDerWaalsContact CG-NE 3.34Å; E123-R127 PolarHBondContact O-N 2.8Å; E123-R127 VanDerWaalsContact O-N 3.16Å; E123-R127 IonicContact OE1-CZ 2.9Å; E123-R127 IonicContact OE1-NE 2.92Å; E123-R127 PolarHBondContact OE1-NE 3.3Å; E123-R127 IonicContact OE1-NH2 3.8Å; L124-R127 PolarHBondContact O-N 3.04Å; R127-H130 PolarHBondContact O-N 3.27Å; R127-R131 PolarHBondContact O-N 2.97Å; R127-I226 HydrophobicContact CB-CD1 3.93Å; R127-I226 HydrophobicContact CB-CG1 3.92Å; R127-V437 PolarHBondContact NH1-OXT 3.31Å; R127-V437 PolarHBondContact NH2-O 3.16Å; R127-V437 PolarHBondContact NH2-OXT 3.27Å
128	I	94.9	Very high	92.7	Very high	9 Å²	9	36.6 Å²	36.6	5%	0.046	17%	0.171	C	C	.	.	H	α-helix	trans	-65.1	-44.9	174.6	-68.1	166.8	0	0	0	110.3	L124 V126 H130 R131 I132 Y155 A158 Y159 V162 I226	L124-I128 HydrophobicContact CB-CD1 4.37Å; L124-I128 WeakPolarHBondContact O-CB 3.46Å; L124-I128 VanDerWaalsContact O-CG1 3.23Å; L124-I128 WeakPolarHBondContact O-CG1 3.3Å; L124-I128 PolarHBondContact O-N 3.18Å; V126-I128 PolarHBondContact O-N 3.3Å; I128-H130 VanDerWaalsContact C-N 3.31Å; I128-H130 PolarHBondContact O-N 3.07Å; I128-R131 WeakPolarHBondContact O-CA 3.33Å; I128-R131 WeakPolarHBondContact O-CB 3.33Å; I128-R131 PolarHBondContact O-N 3.4Å; I128-I132 HydrophobicContact CG2-CD1 3.89Å; I128-I132 HydrophobicContact CG2-CG1 4.34Å; I128-I132 WeakPolarHBondContact O-CG1 3.15Å; I128-I132 PolarHBondContact O-N 2.93Å; I128-Y155 HydrophobicContact CG2-CD1 4.21Å; I128-Y155 VanDerWaalsContact CG2-O 3.29Å; I128-Y155 WeakPolarHBondContact CG2-O 3.39Å; I128-A158 HydrophobicContact CD1-CB 4.12Å; I128-Y159 HydrophobicContact CG2-CD2 4.35Å; I128-V162 HydrophobicContact CD1-CG2 4.49Å; I128-I226 HydrophobicContact CG1-CD1 4.34Å
129	A	94.3	Very high	92.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-60	-39.7	177.8	0	0	0	0	0	112.3	I85 A89 P125 V126 R131 I132 K133 Y159	I85-A129 HydrophobicContact CG2-CB 4.03Å; A89-A129 HydrophobicContact CB-CB 4.02Å; P125-A129 WeakPolarHBondContact O-CB 3.13Å; P125-A129 PolarHBondContact O-N 3.41Å; V126-A129 PolarHBondContact O-N 3.13Å; A129-R131 VanDerWaalsContact C-N 3.27Å; A129-R131 PolarHBondContact O-N 3.18Å; A129-I132 PolarHBondContact O-N 2.93Å; A129-K133 WeakPolarHBondContact O-CB 3.48Å; A129-K133 PolarHBondContact O-N 2.94Å; A129-Y159 HydrophobicContact CB-CD2 4.15Å; A129-Y159 HydrophobicContact CB-CE2 3.93Å
130	H	94.1	Very high	92.5	Very high	44 Å²	44	38.5 Å²	38.5	20%	0.204	19%	0.186	C	C	.	.	H	α-helix	trans	-60.4	-35.1	171.9	-65.1	162.8	0	0	0	112.7	A89 K91 V126 R127 I128 G134	A89-H130 PolarHBondContact O-CD2 3.16Å; A89-H130 PolarHBondContact O-NE2 3.25Å; A89-H130 VanDerWaalsContact O-NE2 3.1Å; K91-H130 PolarHBondContact O-CE1 2.86Å; K91-H130 VanDerWaalsContact O-CE1 3.26Å; K91-H130 PolarHBondContact O-NE2 2.95Å; V126-H130 PolarHBondContact O-N 3.41Å; R127-H130 PolarHBondContact O-N 3.27Å; I128-H130 VanDerWaalsContact C-N 3.31Å; I128-H130 PolarHBondContact O-N 3.07Å; H130-G134 PolarHBondContact O-N 3.45Å; H130-G134 VanDerWaalsContact O-N 3.11Å
131	R	95.1	Very high	92.2	Very high	25 Å²	25	42.6 Å²	42.6	9%	0.094	21%	0.207	C	C	.	.	H	α-helix	trans	-69.6	-45.1	174.9	-66.6	-53.2	87.3	-161.9	0.9	111.7	R127 I128 A129 K133 G134 F135 Y155 T218 T219 S222	R127-R131 PolarHBondContact O-N 2.97Å; I128-R131 WeakPolarHBondContact O-CA 3.33Å; I128-R131 WeakPolarHBondContact O-CB 3.33Å; I128-R131 PolarHBondContact O-N 3.4Å; A129-R131 VanDerWaalsContact C-N 3.27Å; A129-R131 PolarHBondContact O-N 3.18Å; R131-K133 VanDerWaalsContact C-N 3.32Å; R131-K133 PolarHBondContact O-N 3.39Å; R131-G134 VanDerWaalsContact O-CA 3.32Å; R131-G134 WeakPolarHBondContact O-CA 3.41Å; R131-G134 PolarHBondContact O-N 2.9Å; R131-F135 VanDerWaalsContact O-CD2 3.25Å; R131-F135 WeakPolarHBondContact O-CD2 3.14Å; R131-F135 PolarHBondContact O-N 2.75Å; R131-Y155 HydrophobicContact CB-CD1 4.02Å; R131-Y155 HydrophobicContact CB-CE1 4Å; R131-Y155 HydrophobicContact CB-CG 4.46Å; R131-Y155 HydrophobicContact CG-CD1 4.49Å; R131-Y155 HydrophobicContact CG-CE1 4.02Å; R131-T218 PolarHBondContact NH1-O 3.43Å; R131-T219 VanDerWaalsContact NH1-CA 3.3Å; R131-T219 PolarHBondContact NH1-OG1 3Å; R131-T219 VanDerWaalsContact NH1-OG1 3.08Å; R131-S222 WeakPolarHBondContact CD-OG 3.27Å; R131-S222 PolarHBondContact NE-OG 2.8Å
132	I	93.8	Very high	92	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-57.6	-46.3	176.4	-64.5	171	0	0	0	110.4	I85 I128 A129 G134 F135 R136 I156 Y159	I85-I132 HydrophobicContact CD1-CD1 3.77Å; I85-I132 HydrophobicContact CD1-CG2 4.4Å; I85-I132 HydrophobicContact CG2-CB 4.21Å; I85-I132 HydrophobicContact CG2-CD1 4.21Å; I85-I132 HydrophobicContact CG2-CG2 3.95Å; I128-I132 HydrophobicContact CG2-CD1 3.89Å; I128-I132 HydrophobicContact CG2-CG1 4.34Å; I128-I132 WeakPolarHBondContact O-CG1 3.15Å; I128-I132 PolarHBondContact O-N 2.93Å; A129-I132 PolarHBondContact O-N 2.93Å; I132-G134 VanDerWaalsContact C-N 3.26Å; I132-G134 PolarHBondContact O-N 3.02Å; I132-F135 PolarHBondContact O-N 3.35Å; I132-F135 VanDerWaalsContact O-N 3.08Å; I132-R136 PolarHBondContact O-N 2.72Å; I132-I156 HydrophobicContact CD1-CG1 4.02Å; I132-I156 HydrophobicContact CG1-CG1 4.28Å; I132-I156 HydrophobicContact CG2-CG1 4.14Å; I132-Y159 HydrophobicContact CD1-CG 4.38Å
133	K	93	Very high	91.7	Very high	91 Å²	91	33.8 Å²	33.8	40%	0.396	17%	0.173	S	C	.	.	H	α-helix	trans	-58.1	-38.9	173.2	-173.9	170.8	-178.6	171.5	0	112.3	A89 A129 R131 R136 N137	A89-K133 HydrophobicContact CB-CB 4.33Å; A89-K133 HydrophobicContact CB-CD 4.03Å; A129-K133 WeakPolarHBondContact O-CB 3.48Å; A129-K133 PolarHBondContact O-N 2.94Å; R131-K133 VanDerWaalsContact C-N 3.32Å; R131-K133 PolarHBondContact O-N 3.39Å; K133-R136 PolarHBondContact O-N 3.3Å; K133-N137 VanDerWaalsContact O-CG 3.26Å; K133-N137 PolarHBondContact O-N 3.36Å; K133-N137 VanDerWaalsContact O-N 3.11Å; K133-N137 PolarHBondContact O-ND2 3.02Å
134	G	92.6	Very high	91.6	Very high	16 Å²	16	36.6 Å²	36.6	17%	0.165	19%	0.193	C	C	.	.	H	α-helix	trans	-58	-45.9	172.4	0	0	0	0	0	113.1	H130 R131 I132 N137 L138	H130-G134 PolarHBondContact O-N 3.45Å; H130-G134 VanDerWaalsContact O-N 3.11Å; R131-G134 VanDerWaalsContact O-CA 3.32Å; R131-G134 WeakPolarHBondContact O-CA 3.41Å; R131-G134 PolarHBondContact O-N 2.9Å; I132-G134 VanDerWaalsContact C-N 3.26Å; I132-G134 PolarHBondContact O-N 3.02Å; G134-N137 PolarHBondContact O-N 3.3Å; G134-L138 PolarHBondContact O-N 3.47Å
135	F	92.9	Very high	91.5	Very high	8 Å²	8	37 Å²	37	4%	0.035	20%	0.195	C	C	.	.	H	α-helix	trans	-64.5	-40.1	176.2	-79.2	-82.8	0	0	0	112.5	R131 I132 N137 L138 I148 V151 H152 Y155 L195 F215	R131-F135 VanDerWaalsContact O-CD2 3.25Å; R131-F135 WeakPolarHBondContact O-CD2 3.14Å; R131-F135 PolarHBondContact O-N 2.75Å; I132-F135 PolarHBondContact O-N 3.35Å; I132-F135 VanDerWaalsContact O-N 3.08Å; F135-N137 PolarHBondContact O-N 3.33Å; F135-L138 HydrophobicContact CD1-CD1 3.99Å; F135-L138 WeakPolarHBondContact O-CB 3.2Å; F135-L138 PolarHBondContact O-N 2.94Å; F135-I148 HydrophobicContact CD1-CG2 4.05Å; F135-I148 HydrophobicContact CE1-CG2 4.09Å; F135-V151 HydrophobicContact CE1-CB 4.33Å; F135-V151 HydrophobicContact CE1-CG1 4.08Å; F135-V151 HydrophobicContact CE2-CG1 4.36Å; F135-V151 HydrophobicContact CZ-CB 4.26Å; F135-V151 HydrophobicContact CZ-CG1 3.52Å; F135-H152 HydrophobicContact CB-CB 4.16Å; F135-H152 VanDerWaalsContact CB-CD2 3.41Å; F135-H152 WeakPolarHBondContact CB-CD2 3.12Å; F135-H152 HydrophobicContact CD1-CB 3.94Å; F135-H152 HydrophobicContact CG-CB 3.98Å; F135-H152 AromaticContact CG-CD2 3.86Å; F135-Y155 HydrophobicContact CD2-CD2 4.3Å; F135-Y155 AromaticContact CE2-CD2 3.5Å; F135-Y155 HydrophobicContact CE2-CD2 3.5Å; F135-Y155 AromaticContact CE2-CE2 3.63Å; F135-Y155 HydrophobicContact CE2-CE2 3.63Å; F135-Y155 HydrophobicContact CE2-CG 4.42Å; F135-Y155 HydrophobicContact CZ-CD2 4.11Å; F135-Y155 HydrophobicContact CZ-CE2 4.03Å; F135-L195 HydrophobicContact CE1-CD2 3.93Å; F135-L195 HydrophobicContact CZ-CD2 3.98Å; F135-F215 HydrophobicContact CD1-CE2 4.44Å; F135-F215 AromaticContact CD1-CZ 3.93Å; F135-F215 HydrophobicContact CD1-CZ 3.93Å; F135-F215 HydrophobicContact CD2-CZ 4.39Å; F135-F215 AromaticContact CE1-CZ 3.72Å; F135-F215 HydrophobicContact CE1-CZ 3.72Å; F135-F215 HydrophobicContact CE2-CZ 4.18Å; F135-F215 HydrophobicContact CG-CE2 4.41Å; F135-F215 HydrophobicContact CG-CZ 4.25Å; F135-F215 AromaticContact CZ-CZ 3.83Å; F135-F215 HydrophobicContact CZ-CZ 3.83Å
136	R	90.8	Very high	91.4	Very high	28 Å²	28	40.4 Å²	40.4	11%	0.106	22%	0.217	C	C	.	.	H	α-helix	trans	-63.9	-26.8	176.7	-70.5	178.3	173.8	172.1	0.1	113.4	F79 Y80 D86 I132 K133	F79-R136 VanDerWaalsContact O-CZ 3.31Å; F79-R136 PolarHBondContact O-NE 3.36Å; F79-R136 VanDerWaalsContact O-NE 3.11Å; F79-R136 PolarHBondContact O-NH2 3.19Å; Y80-R136 HydrophobicContact CD1-CG 4.36Å; Y80-R136 HydrophobicContact CE1-CB 4.28Å; Y80-R136 HydrophobicContact CE1-CG 4.22Å; D86-R136 IonicContact OD1-NH1 2.76Å; D86-R136 PolarHBondContact OD1-NH1 2.92Å; D86-R136 IonicContact OD2-NH1 3.19Å; I132-R136 PolarHBondContact O-N 2.72Å; K133-R136 PolarHBondContact O-N 3.3Å
137	N	90.9	Very high	91.3	Very high	122 Å²	122	40.8 Å²	40.8	65%	0.652	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-2.1	178.6	-69.6	-11.6	0	0	0	113.6	K133 G134 F135	K133-N137 VanDerWaalsContact O-CG 3.26Å; K133-N137 PolarHBondContact O-N 3.36Å; K133-N137 VanDerWaalsContact O-N 3.11Å; K133-N137 PolarHBondContact O-ND2 3.02Å; G134-N137 PolarHBondContact O-N 3.3Å; F135-N137 PolarHBondContact O-N 3.33Å
138	L	90.9	Very high	91.2	Very high	15 Å²	15	40.3 Å²	40.3	8%	0.079	22%	0.218	C	C	.	.	S	Bend	trans	-66.9	147.9	175.2	-74.9	172.6	0	0	0	110.8	G134 F135 F140 I142 I148 F199 F215	G134-L138 PolarHBondContact O-N 3.47Å; F135-L138 HydrophobicContact CD1-CD1 3.99Å; F135-L138 WeakPolarHBondContact O-CB 3.2Å; F135-L138 PolarHBondContact O-N 2.94Å; L138-F140 PolarHBondContact O-N 3.17Å; L138-I142 HydrophobicContact CD1-CG2 4.31Å; L138-I148 HydrophobicContact CD1-CG2 4.08Å; L138-F199 HydrophobicContact CD1-CZ 4.23Å; L138-F199 HydrophobicContact CD2-CE1 4.41Å; L138-F199 HydrophobicContact CD2-CZ 4.19Å; L138-F215 HydrophobicContact CD1-CD2 4.31Å; L138-F215 HydrophobicContact CD1-CE1 4.3Å; L138-F215 HydrophobicContact CD1-CE2 3.86Å; L138-F215 HydrophobicContact CD1-CZ 3.86Å; L138-F215 HydrophobicContact CD2-CB 4.16Å; L138-F215 HydrophobicContact CD2-CD1 4.16Å; L138-F215 HydrophobicContact CD2-CD2 3.63Å; L138-F215 HydrophobicContact CD2-CE2 4.05Å; L138-F215 HydrophobicContact CD2-CG 3.69Å; L138-F215 HydrophobicContact CD2-CZ 4.49Å; L138-F215 HydrophobicContact CG-CD2 3.98Å; L138-F215 HydrophobicContact CG-CE2 3.93Å; L138-F215 HydrophobicContact CG-CG 4.48Å; L138-F215 HydrophobicContact CG-CZ 4.41Å
139	P	90.4	Very high	91.1	Very high	48 Å²	48	42 Å²	42	31%	0.312	23%	0.227	S	C	.	.			trans	-48.4	134.1	168.6	-27.5	32.5	0	0	0	111.6	I141 I142 G143 I211	P139-I141 HydrophobicContact CB-CG2 4.42Å; P139-I141 PolarHBondContact O-N 3.1Å; P139-I141 VanDerWaalsContact O-N 3.07Å; P139-I142 HydrophobicContact CB-CD1 4.05Å; P139-I142 HydrophobicContact CB-CG1 4.16Å; P139-I142 HydrophobicContact CG-CD1 3.85Å; P139-I142 HydrophobicContact CG-CG1 4.49Å; P139-I142 WeakPolarHBondContact O-CA 3.37Å; P139-I142 WeakPolarHBondContact O-CB 3.34Å; P139-I142 PolarHBondContact O-N 3.4Å; P139-G143 PolarHBondContact O-N 3.48Å; P139-I211 HydrophobicContact CG-CG2 4.43Å
140	F	86.9	Confident	91	Very high	148 Å²	148	47 Å²	47	65%	0.649	25%	0.25	S	S	*	.	H	α-helix	trans	-52.2	-39	-172.6	-179.6	-98.9	0	0	0	113.5	L138 I142 G143 C144	L138-F140 PolarHBondContact O-N 3.17Å; F140-I142 VanDerWaalsContact C-N 3.27Å; F140-I142 PolarHBondContact O-N 3.15Å; F140-G143 PolarHBondContact O-N 3.21Å; F140-C144 WeakPolarHBondContact CE1-SG 3.39Å; F140-C144 WeakPolarHBondContact CZ-SG 3.37Å; F140-C144 WeakPolarHBondContact O-CB 3.33Å; F140-C144 PolarHBondContact O-N 3.37Å; F140-C144 PolarHBondContact O-SG 2.99Å
141	I	87.1	Confident	91.1	Very high	88 Å²	88	45 Å²	45	45%	0.451	24%	0.241	S	C	.	.	H	α-helix	trans	-63	-32.1	178.1	-168.5	153.9	0	0	0	113.2	P139 H205	P139-I141 HydrophobicContact CB-CG2 4.42Å; P139-I141 PolarHBondContact O-N 3.1Å; P139-I141 VanDerWaalsContact O-N 3.07Å; I141-H205 HydrophobicContact CD1-CB 3.61Å; I141-H205 HydrophobicContact CG1-CB 4.14Å; I141-H205 HydrophobicContact CG2-CB 4.49Å
142	I	87	Confident	91	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-79.1	-45.6	175.8	-55	178.1	0	0	0	109.7	L138 P139 F140 C144 N145 I148 F199 C202 I206	L138-I142 HydrophobicContact CD1-CG2 4.31Å; P139-I142 HydrophobicContact CB-CD1 4.05Å; P139-I142 HydrophobicContact CB-CG1 4.16Å; P139-I142 HydrophobicContact CG-CD1 3.85Å; P139-I142 HydrophobicContact CG-CG1 4.49Å; P139-I142 WeakPolarHBondContact O-CA 3.37Å; P139-I142 WeakPolarHBondContact O-CB 3.34Å; P139-I142 PolarHBondContact O-N 3.4Å; F140-I142 VanDerWaalsContact C-N 3.27Å; F140-I142 PolarHBondContact O-N 3.15Å; I142-C144 PolarHBondContact O-N 3.29Å; I142-N145 VanDerWaalsContact O-CB 3.3Å; I142-N145 WeakPolarHBondContact O-CB 3.15Å; I142-N145 PolarHBondContact O-N 2.93Å; I142-I148 HydrophobicContact CG2-CG1 4.48Å; I142-F199 HydrophobicContact CD1-CE1 4.32Å; I142-F199 HydrophobicContact CG2-CD1 4.03Å; I142-F199 HydrophobicContact CG2-CE1 3.53Å; I142-F199 HydrophobicContact CG2-CZ 4.14Å; I142-C202 HydrophobicContact CG1-CB 4.27Å; I142-C202 HydrophobicContact CG2-CB 4.49Å; I142-I206 HydrophobicContact CD1-CD1 3.42Å; I142-I206 VanDerWaalsContact CD1-CD1 3.42Å; I142-I206 HydrophobicContact CD1-CG1 3.71Å; I142-I206 HydrophobicContact CG1-CD1 3.9Å; I142-I206 HydrophobicContact CG1-CG1 4.02Å
143	G	86.1	Confident	90.9	Very high	18 Å²	18	48.2 Å²	48.2	19%	0.186	26%	0.257	C	S	.	.	H	α-helix	trans	-61.6	-27.3	179.8	0	0	0	0	0	113.8	P139 F140 N145	P139-G143 PolarHBondContact O-N 3.48Å; F140-G143 PolarHBondContact O-N 3.21Å; G143-N145 VanDerWaalsContact C-N 3.31Å
144	C	88.4	Confident	91	Very high	66 Å²	66	45.1 Å²	45.1	45%	0.446	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-7.5	175.3	-71.1	0	0	0	0	114.5	F140 I142	F140-C144 WeakPolarHBondContact CE1-SG 3.39Å; F140-C144 WeakPolarHBondContact CZ-SG 3.37Å; F140-C144 WeakPolarHBondContact O-CB 3.33Å; F140-C144 PolarHBondContact O-N 3.37Å; F140-C144 PolarHBondContact O-SG 2.99Å; I142-C144 PolarHBondContact O-N 3.29Å
145	N	91.2	Very high	91.2	Very high	14 Å²	14	44.7 Å²	44.7	8%	0.075	24%	0.238	C	C	.	.	S	Bend	trans	-64.2	129.6	176.4	175.6	-86.7	0	0	0	110	I142 G143 T147 I148 L149 E201 C202	I142-N145 VanDerWaalsContact O-CB 3.3Å; I142-N145 WeakPolarHBondContact O-CB 3.15Å; I142-N145 PolarHBondContact O-N 2.93Å; G143-N145 VanDerWaalsContact C-N 3.31Å; N145-T147 VanDerWaalsContact C-N 3.27Å; N145-T147 PolarHBondContact O-N 3.44Å; N145-T147 WeakPolarHBondContact OD1-CA 3.35Å; N145-T147 VanDerWaalsContact OD1-CB 3.27Å; N145-T147 WeakPolarHBondContact OD1-CB 3.34Å; N145-T147 PolarHBondContact OD1-N 2.82Å; N145-I148 HydrophobicContact CB-CB 4.12Å; N145-I148 HydrophobicContact CB-CG1 3.94Å; N145-I148 PolarHBondContact O-N 3.21Å; N145-I148 PolarHBondContact OD1-N 2.86Å; N145-I148 VanDerWaalsContact OD1-N 3.1Å; N145-L149 WeakPolarHBondContact O-CB 3.3Å; N145-L149 PolarHBondContact O-N 3.04Å; N145-E201 PolarHBondContact ND2-OE2 3.46Å; N145-C202 WeakPolarHBondContact CB-SG 3.14Å
146	P	91.5	Very high	91.2	Very high	85 Å²	85	45.3 Å²	45.3	55%	0.552	24%	0.242	S	C	*	.	H	α-helix	trans	-56.1	-37.9	-176	-27.2	34.7	0	0	0	114.1	Q150	P146-Q150 WeakPolarHBondContact O-CB 3.26Å; P146-Q150 PolarHBondContact O-N 2.92Å
147	T	91.6	Very high	91.4	Very high	19 Å²	19	50.9 Å²	50.9	12%	0.117	26%	0.263	C	S	.	.	H	α-helix	trans	-72.1	-43.5	-179.4	-49.7	0	0	0	0	111.2	N145 L149 Q150 V151 M194	N145-T147 VanDerWaalsContact C-N 3.27Å; N145-T147 PolarHBondContact O-N 3.44Å; N145-T147 WeakPolarHBondContact OD1-CA 3.35Å; N145-T147 VanDerWaalsContact OD1-CB 3.27Å; N145-T147 WeakPolarHBondContact OD1-CB 3.34Å; N145-T147 PolarHBondContact OD1-N 2.82Å; T147-L149 VanDerWaalsContact C-N 3.33Å; T147-Q150 PolarHBondContact O-N 2.84Å; T147-V151 WeakPolarHBondContact O-CG2 3.44Å; T147-V151 PolarHBondContact O-N 3.1Å; T147-V151 VanDerWaalsContact O-N 3.11Å; T147-M194 HydrophobicContact CG2-CB 3.84Å; T147-M194 HydrophobicContact CG2-CE 4.3Å; T147-M194 HydrophobicContact CG2-CG 4.42Å; T147-M194 WeakPolarHBondContact CG2-O 3.33Å
148	I	92.5	Very high	91.6	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.01	23%	0.233	C	C	.	.	H	α-helix	trans	-64	-41.1	175	-60.3	-59.6	0	0	0	110.7	F135 L138 I142 N145 Q150 V151 H152 L195 F199	F135-I148 HydrophobicContact CD1-CG2 4.05Å; F135-I148 HydrophobicContact CE1-CG2 4.09Å; L138-I148 HydrophobicContact CD1-CG2 4.08Å; I142-I148 HydrophobicContact CG2-CG1 4.48Å; N145-I148 HydrophobicContact CB-CB 4.12Å; N145-I148 HydrophobicContact CB-CG1 3.94Å; N145-I148 PolarHBondContact O-N 3.21Å; N145-I148 PolarHBondContact OD1-N 2.86Å; N145-I148 VanDerWaalsContact OD1-N 3.1Å; I148-Q150 VanDerWaalsContact C-N 3.34Å; I148-Q150 PolarHBondContact O-N 3.22Å; I148-V151 PolarHBondContact O-N 3.43Å; I148-H152 PolarHBondContact O-N 3.41Å; I148-L195 HydrophobicContact CD1-CD2 3.84Å; I148-F199 HydrophobicContact CD1-CD2 3.75Å; I148-F199 HydrophobicContact CD1-CE2 3.74Å; I148-F199 HydrophobicContact CD1-CG 4.34Å; I148-F199 HydrophobicContact CD1-CZ 4.36Å
149	L	91.9	Very high	91.8	Very high	44 Å²	44	45 Å²	45	23%	0.23	23%	0.231	C	C	.	.	H	α-helix	trans	-60.5	-44.5	175.9	-169.2	71	0	0	0	111.4	F79 N145 T147 V151 H152 E153	F79-L149 HydrophobicContact CD2-CD1 4.34Å; F79-L149 HydrophobicContact CE2-CD1 3.23Å; F79-L149 HydrophobicContact CE2-CG 4.5Å; F79-L149 HydrophobicContact CZ-CD1 3.44Å; F79-L149 VanDerWaalsContact CZ-CD1 3.44Å; N145-L149 WeakPolarHBondContact O-CB 3.3Å; N145-L149 PolarHBondContact O-N 3.04Å; T147-L149 VanDerWaalsContact C-N 3.33Å; L149-V151 VanDerWaalsContact C-N 3.34Å; L149-V151 PolarHBondContact O-N 3.11Å; L149-H152 WeakPolarHBondContact O-CB 3.42Å; L149-H152 PolarHBondContact O-N 3.45Å; L149-H152 VanDerWaalsContact O-N 3.14Å; L149-E153 WeakPolarHBondContact O-CG 3.42Å; L149-E153 PolarHBondContact O-N 2.85Å
150	Q	93.2	Very high	91.9	Very high	106 Å²	106	46 Å²	46	50%	0.495	23%	0.231	S	C	.	.	H	α-helix	trans	-60.8	-41.9	176.7	-170	-179.4	9.3	0	0	112	P146 T147 I148 H152 E153 L154 M194	P146-Q150 WeakPolarHBondContact O-CB 3.26Å; P146-Q150 PolarHBondContact O-N 2.92Å; T147-Q150 PolarHBondContact O-N 2.84Å; I148-Q150 VanDerWaalsContact C-N 3.34Å; I148-Q150 PolarHBondContact O-N 3.22Å; Q150-H152 VanDerWaalsContact C-N 3.33Å; Q150-E153 PolarHBondContact O-N 3Å; Q150-L154 WeakPolarHBondContact O-CG 3.43Å; Q150-L154 PolarHBondContact O-N 2.78Å; Q150-M194 HydrophobicContact CB-CE 3.89Å; Q150-M194 HydrophobicContact CG-CE 3.7Å
151	V	94.6	Very high	92.3	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-64	-41.3	174.6	178.6	0	0	0	0	111	F135 T147 I148 L149 E153 L154 Y155 V191 M194 L195	F135-V151 HydrophobicContact CE1-CB 4.33Å; F135-V151 HydrophobicContact CE1-CG1 4.08Å; F135-V151 HydrophobicContact CE2-CG1 4.36Å; F135-V151 HydrophobicContact CZ-CB 4.26Å; F135-V151 HydrophobicContact CZ-CG1 3.52Å; T147-V151 WeakPolarHBondContact O-CG2 3.44Å; T147-V151 PolarHBondContact O-N 3.1Å; T147-V151 VanDerWaalsContact O-N 3.11Å; I148-V151 PolarHBondContact O-N 3.43Å; L149-V151 VanDerWaalsContact C-N 3.34Å; L149-V151 PolarHBondContact O-N 3.11Å; V151-E153 VanDerWaalsContact C-N 3.35Å; V151-E153 PolarHBondContact O-N 3.12Å; V151-L154 WeakPolarHBondContact O-CB 3.37Å; V151-L154 PolarHBondContact O-N 3.04Å; V151-Y155 HydrophobicContact CG1-CD2 3.99Å; V151-Y155 HydrophobicContact CG1-CE2 3.78Å; V151-Y155 VanDerWaalsContact O-CD2 3.32Å; V151-Y155 WeakPolarHBondContact O-CD2 3.24Å; V151-Y155 PolarHBondContact O-N 3.29Å; V151-V191 HydrophobicContact CG1-CG1 3.74Å; V151-V191 HydrophobicContact CG1-CG2 4.35Å; V151-M194 HydrophobicContact CG2-CB 3.61Å; V151-M194 HydrophobicContact CG2-CE 3.84Å; V151-M194 HydrophobicContact CG2-CG 4.49Å; V151-M194 HydrophobicContact CG2-SD 4.11Å; V151-L195 HydrophobicContact CB-CD2 4.26Å; V151-L195 HydrophobicContact CG1-CD2 4Å; V151-L195 HydrophobicContact CG1-CG 4.31Å; V151-L195 HydrophobicContact CG2-CD2 4.24Å; V151-L195 HydrophobicContact CG2-CG 4.42Å
152	H	93.9	Very high	92.6	Very high	3 Å²	3	37 Å²	37	1%	0.014	19%	0.19	C	C	.	.	H	α-helix	trans	-61.1	-42.9	176.6	-178.9	-144.8	0	0	0	112.1	F79 F135 I148 L149 Q150 L154 Y155 I156	F79-H152 AromaticContact CD1-CE1 4Å; F79-H152 AromaticContact CE1-CE1 3.51Å; F79-H152 AromaticContact CE1-ND1 3.64Å; F79-H152 AromaticContact CE2-CE1 3.49Å; F79-H152 VanDerWaalsContact CE2-CE1 3.49Å; F79-H152 WeakPolarHBondContact CE2-CE1 3.46Å; F79-H152 AromaticContact CE2-ND1 3.08Å; F79-H152 WeakPolarHBondContact CE2-ND1 3.47Å; F79-H152 AromaticContact CZ-CE1 3.27Å; F79-H152 WeakPolarHBondContact CZ-CE1 3.41Å; F79-H152 AromaticContact CZ-ND1 2.9Å; F79-H152 WeakPolarHBondContact CZ-ND1 3.45Å; F135-H152 HydrophobicContact CB-CB 4.16Å; F135-H152 VanDerWaalsContact CB-CD2 3.41Å; F135-H152 WeakPolarHBondContact CB-CD2 3.12Å; F135-H152 HydrophobicContact CD1-CB 3.94Å; F135-H152 HydrophobicContact CG-CB 3.98Å; F135-H152 AromaticContact CG-CD2 3.86Å; I148-H152 PolarHBondContact O-N 3.41Å; L149-H152 WeakPolarHBondContact O-CB 3.42Å; L149-H152 PolarHBondContact O-N 3.45Å; L149-H152 VanDerWaalsContact O-N 3.14Å; Q150-H152 VanDerWaalsContact C-N 3.33Å; H152-L154 VanDerWaalsContact C-N 3.33Å; H152-L154 PolarHBondContact O-N 2.91Å; H152-Y155 PolarHBondContact O-N 3.27Å; H152-I156 WeakPolarHBondContact O-CG1 3.21Å; H152-I156 PolarHBondContact O-N 3.23Å
153	E	92.3	Very high	92.9	Very high	91 Å²	91	39 Å²	39	43%	0.425	20%	0.204	S	C	.	.	H	α-helix	trans	-62.3	-37.1	174.5	-72.6	178.3	-177	0	0	112.8	L149 Q150 V151 Y155 I156 R157	L149-E153 WeakPolarHBondContact O-CG 3.42Å; L149-E153 PolarHBondContact O-N 2.85Å; Q150-E153 PolarHBondContact O-N 3Å; V151-E153 VanDerWaalsContact C-N 3.35Å; V151-E153 PolarHBondContact O-N 3.12Å; E153-Y155 VanDerWaalsContact C-N 3.34Å; E153-Y155 PolarHBondContact O-N 3.2Å; E153-I156 PolarHBondContact O-N 2.83Å; E153-R157 WeakPolarHBondContact O-CB 3.32Å; E153-R157 PolarHBondContact O-N 2.87Å
154	L	94.8	Very high	93.2	Very high	26 Å²	26	44 Å²	44	14%	0.136	23%	0.226	C	C	.	.	H	α-helix	trans	-59.9	-44.2	173.9	-73.9	173.3	0	0	0	111.5	Q150 V151 H152 R157 A158 H188 V191 M194	Q150-L154 WeakPolarHBondContact O-CG 3.43Å; Q150-L154 PolarHBondContact O-N 2.78Å; V151-L154 WeakPolarHBondContact O-CB 3.37Å; V151-L154 PolarHBondContact O-N 3.04Å; H152-L154 VanDerWaalsContact C-N 3.33Å; H152-L154 PolarHBondContact O-N 2.91Å; L154-R157 PolarHBondContact O-N 3.06Å; L154-A158 WeakPolarHBondContact O-CB 3.33Å; L154-A158 PolarHBondContact O-N 3Å; L154-H188 PolarHBondContact O-NE2 2.91Å; L154-V191 HydrophobicContact CD1-CG2 4.29Å; L154-M194 HydrophobicContact CD1-SD 4.47Å
155	Y	95.9	Very high	93.5	Very high	7 Å²	7	42.2 Å²	42.2	3%	0.027	21%	0.211	C	C	.	.	H	α-helix	trans	-66.4	-40.6	176.5	-81.1	-76.7	0	0	0	112.5	I128 R131 F135 V151 H152 E153 A158 Y159 V191	I128-Y155 HydrophobicContact CG2-CD1 4.21Å; I128-Y155 VanDerWaalsContact CG2-O 3.29Å; I128-Y155 WeakPolarHBondContact CG2-O 3.39Å; R131-Y155 HydrophobicContact CB-CD1 4.02Å; R131-Y155 HydrophobicContact CB-CE1 4Å; R131-Y155 HydrophobicContact CB-CG 4.46Å; R131-Y155 HydrophobicContact CG-CD1 4.49Å; R131-Y155 HydrophobicContact CG-CE1 4.02Å; F135-Y155 HydrophobicContact CD2-CD2 4.3Å; F135-Y155 AromaticContact CE2-CD2 3.5Å; F135-Y155 HydrophobicContact CE2-CD2 3.5Å; F135-Y155 AromaticContact CE2-CE2 3.63Å; F135-Y155 HydrophobicContact CE2-CE2 3.63Å; F135-Y155 HydrophobicContact CE2-CG 4.42Å; F135-Y155 HydrophobicContact CZ-CD2 4.11Å; F135-Y155 HydrophobicContact CZ-CE2 4.03Å; V151-Y155 HydrophobicContact CG1-CD2 3.99Å; V151-Y155 HydrophobicContact CG1-CE2 3.78Å; V151-Y155 VanDerWaalsContact O-CD2 3.32Å; V151-Y155 WeakPolarHBondContact O-CD2 3.24Å; V151-Y155 PolarHBondContact O-N 3.29Å; H152-Y155 PolarHBondContact O-N 3.27Å; E153-Y155 VanDerWaalsContact C-N 3.34Å; E153-Y155 PolarHBondContact O-N 3.2Å; Y155-A158 PolarHBondContact O-N 2.8Å; Y155-Y159 PolarHBondContact O-N 2.84Å; Y155-V191 HydrophobicContact CE2-CG1 4.34Å
156	I	93.4	Very high	93.6	Very high	21 Å²	21	45 Å²	45	11%	0.108	23%	0.23	C	C	.	.	H	α-helix	trans	-61.3	-46.5	175.2	-68.4	166.4	0	0	0	110.3	I132 H152 E153 A158 Y159 H160	I132-I156 HydrophobicContact CD1-CG1 4.02Å; I132-I156 HydrophobicContact CG1-CG1 4.28Å; I132-I156 HydrophobicContact CG2-CG1 4.14Å; H152-I156 WeakPolarHBondContact O-CG1 3.21Å; H152-I156 PolarHBondContact O-N 3.23Å; E153-I156 PolarHBondContact O-N 2.83Å; I156-A158 VanDerWaalsContact C-N 3.34Å; I156-A158 PolarHBondContact O-N 2.89Å; I156-Y159 WeakPolarHBondContact O-CB 3.3Å; I156-Y159 PolarHBondContact O-N 2.84Å; I156-H160 PolarHBondContact O-CD2 2.93Å; I156-H160 VanDerWaalsContact O-CD2 3.24Å; I156-H160 PolarHBondContact O-N 3.43Å; I156-H160 VanDerWaalsContact O-N 3.12Å
157	R	94.3	Very high	93.6	Very high	144 Å²	144	45.8 Å²	45.8	54%	0.543	23%	0.234	S	C	.	.	H	α-helix	trans	-59.3	-46.4	176	-175.7	-175.5	-64.5	176.2	1.2	111	E153 L154 Y159 H160 M161	E153-R157 WeakPolarHBondContact O-CB 3.32Å; E153-R157 PolarHBondContact O-N 2.87Å; L154-R157 PolarHBondContact O-N 3.06Å; R157-Y159 VanDerWaalsContact C-N 3.29Å; R157-Y159 PolarHBondContact O-N 3.45Å; R157-H160 PolarHBondContact O-N 3Å; R157-M161 HydrophobicContact CG-CG 4.2Å; R157-M161 HydrophobicContact CG-SD 3.81Å; R157-M161 WeakPolarHBondContact O-CB 3.28Å; R157-M161 VanDerWaalsContact O-CG 3.24Å; R157-M161 WeakPolarHBondContact O-CG 3.23Å; R157-M161 PolarHBondContact O-N 3.23Å
158	A	94.9	Very high	93.7	Very high	3 Å²	3	45 Å²	45	3%	0.025	23%	0.229	C	C	.	.	H	α-helix	trans	-58.7	-41.5	177	0	0	0	0	0	112.1	I128 L154 Y155 I156 M161 V162 L184	I128-A158 HydrophobicContact CD1-CB 4.12Å; L154-A158 WeakPolarHBondContact O-CB 3.33Å; L154-A158 PolarHBondContact O-N 3Å; Y155-A158 PolarHBondContact O-N 2.8Å; I156-A158 VanDerWaalsContact C-N 3.34Å; I156-A158 PolarHBondContact O-N 2.89Å; A158-M161 PolarHBondContact O-N 2.98Å; A158-V162 WeakPolarHBondContact O-CG2 3.46Å; A158-V162 PolarHBondContact O-N 2.73Å; A158-L184 HydrophobicContact CB-CD2 3.8Å
159	Y	95.4	Very high	93.6	Very high	10 Å²	10	51.9 Å²	51.9	4%	0.039	26%	0.258	C	S	.	.	H	α-helix	trans	-58.4	-50.9	176.8	-179.7	-90.4	0	0	0	111.7	A84 I85 S88 P125 I128 A129 I132 Y155 I156 R157 V162 S163	A84-Y159 PolarHBondContact O-OH 2.96Å; I85-Y159 HydrophobicContact CD1-CD1 3.88Å; I85-Y159 HydrophobicContact CD1-CE1 4.36Å; I85-Y159 HydrophobicContact CD1-CG 4.16Å; I85-Y159 HydrophobicContact CG1-CD1 3.61Å; I85-Y159 HydrophobicContact CG1-CE1 3.58Å; I85-Y159 HydrophobicContact CG1-CE2 4.48Å; I85-Y159 HydrophobicContact CG1-CG 4.12Å; S88-Y159 WeakPolarHBondContact CB-OH 3.5Å; S88-Y159 PolarHBondContact OG-OH 3.12Å; P125-Y159 HydrophobicContact CB-CD2 4.18Å; P125-Y159 HydrophobicContact CB-CE2 3.82Å; P125-Y159 WeakPolarHBondContact O-CD2 3.27Å; P125-Y159 WeakPolarHBondContact O-CE2 3.28Å; I128-Y159 HydrophobicContact CG2-CD2 4.35Å; A129-Y159 HydrophobicContact CB-CD2 4.15Å; A129-Y159 HydrophobicContact CB-CE2 3.93Å; I132-Y159 HydrophobicContact CD1-CG 4.38Å; Y155-Y159 PolarHBondContact O-N 2.84Å; I156-Y159 WeakPolarHBondContact O-CB 3.3Å; I156-Y159 PolarHBondContact O-N 2.84Å; R157-Y159 VanDerWaalsContact C-N 3.29Å; R157-Y159 PolarHBondContact O-N 3.45Å; Y159-V162 PolarHBondContact O-N 2.71Å; Y159-S163 WeakPolarHBondContact CE1-OG 3.36Å; Y159-S163 WeakPolarHBondContact O-CB 3.26Å; Y159-S163 PolarHBondContact O-N 2.98Å; Y159-S163 PolarHBondContact O-OG 3.2Å
160	H	93.7	Very high	93.6	Very high	69 Å²	69	54.4 Å²	54.4	32%	0.319	27%	0.272	S	S	.	.	H	α-helix	trans	-64.2	-46.1	179.1	-73.3	-62.6	0	0	0	111.5	I156 R157 V162 S163 D164	I156-H160 PolarHBondContact O-CD2 2.93Å; I156-H160 VanDerWaalsContact O-CD2 3.24Å; I156-H160 PolarHBondContact O-N 3.43Å; I156-H160 VanDerWaalsContact O-N 3.12Å; R157-H160 PolarHBondContact O-N 3Å; H160-V162 VanDerWaalsContact C-N 3.27Å; H160-V162 PolarHBondContact O-N 2.9Å; H160-S163 PolarHBondContact O-N 2.95Å; H160-D164 WeakPolarHBondContact O-CB 3.37Å; H160-D164 PolarHBondContact O-N 3.27Å
161	M	94	Very high	93.5	Very high	48 Å²	48	53.2 Å²	53.2	24%	0.236	27%	0.267	C	S	.	.	H	α-helix	trans	-54.8	-40.3	177.9	-78.2	-178.8	84.2	0	0	113.2	R157 A158 L180 L184	R157-M161 HydrophobicContact CG-CG 4.2Å; R157-M161 HydrophobicContact CG-SD 3.81Å; R157-M161 WeakPolarHBondContact O-CB 3.28Å; R157-M161 VanDerWaalsContact O-CG 3.24Å; R157-M161 WeakPolarHBondContact O-CG 3.23Å; R157-M161 PolarHBondContact O-N 3.23Å; A158-M161 PolarHBondContact O-N 2.98Å; M161-L180 HydrophobicContact CB-CD1 4.16Å; M161-L180 HydrophobicContact CE-CD1 3.52Å; M161-L180 WeakPolarHBondContact O-CD2 3.49Å; M161-L184 HydrophobicContact CB-CD2 4.41Å; M161-L184 HydrophobicContact CE-CD2 4.28Å; M161-L184 HydrophobicContact SD-CD2 3.78Å
162	V	94.1	Very high	93.4	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-81.4	-40.6	177.5	-177	0	0	0	0	111.9	H121 L124 P125 I128 A158 Y159 H160 F165 F177 L184	H121-V162 PolarHBondContact NE2-O 2.88Å; L124-V162 HydrophobicContact CB-CG1 4.16Å; P125-V162 HydrophobicContact CG-CB 4.27Å; P125-V162 HydrophobicContact CG-CG1 3.66Å; I128-V162 HydrophobicContact CD1-CG2 4.49Å; A158-V162 WeakPolarHBondContact O-CG2 3.46Å; A158-V162 PolarHBondContact O-N 2.73Å; Y159-V162 PolarHBondContact O-N 2.71Å; H160-V162 VanDerWaalsContact C-N 3.27Å; H160-V162 PolarHBondContact O-N 2.9Å; V162-F165 VanDerWaalsContact O-CB 3.3Å; V162-F165 WeakPolarHBondContact O-CB 3.31Å; V162-F165 PolarHBondContact O-N 3.39Å; V162-F177 HydrophobicContact CG1-CE2 4.36Å; V162-L184 HydrophobicContact CG2-CD1 3.43Å; V162-L184 VanDerWaalsContact CG2-CD1 3.43Å
163	S	92.4	Very high	93.4	Very high	43 Å²	43	60.7 Å²	60.7	30%	0.301	31%	0.308	S	S	.	.	H	α-helix	trans	-70.5	-36	-176.1	-57.6	0	0	0	0	112.8	Y159 H160 F165	Y159-S163 WeakPolarHBondContact CE1-OG 3.36Å; Y159-S163 WeakPolarHBondContact O-CB 3.26Å; Y159-S163 PolarHBondContact O-N 2.98Å; Y159-S163 PolarHBondContact O-OG 3.2Å; H160-S163 PolarHBondContact O-N 2.95Å; S163-F165 VanDerWaalsContact C-N 3.26Å
164	D	92.7	Very high	93.5	Very high	122 Å²	122	56.3 Å²	56.3	65%	0.652	29%	0.287	S	S	*	.	S	Bend	trans	-82.5	-8.6	178.9	-58.1	-20.6	0	0	0	111.5	H160	H160-D164 WeakPolarHBondContact O-CB 3.37Å; H160-D164 PolarHBondContact O-N 3.27Å
165	F	94.6	Very high	93.5	Very high	29 Å²	29	57.2 Å²	57.2	13%	0.127	30%	0.298	C	S	.	.	S	Bend	trans	-66.7	133.7	176.6	-165.6	-91.8	0	0	0	110.4	H121 V162 S163 I168 V173 Q176 F177 L180	H121-F165 PolarHBondContact NE2-O 3.5Å; V162-F165 VanDerWaalsContact O-CB 3.3Å; V162-F165 WeakPolarHBondContact O-CB 3.31Å; V162-F165 PolarHBondContact O-N 3.39Å; S163-F165 VanDerWaalsContact C-N 3.26Å; F165-I168 HydrophobicContact CE1-CG1 4.26Å; F165-V173 HydrophobicContact CE1-CG1 3.82Å; F165-V173 HydrophobicContact CZ-CG1 4.22Å; F165-Q176 HydrophobicContact CE2-CB 4.37Å; F165-Q176 HydrophobicContact CZ-CB 3.99Å; F165-F177 HydrophobicContact CD1-CB 4.37Å; F165-F177 AromaticContact CD1-CD2 3.6Å; F165-F177 HydrophobicContact CD1-CD2 3.6Å; F165-F177 HydrophobicContact CD1-CE2 4.36Å; F165-F177 HydrophobicContact CD1-CG 4.37Å; F165-F177 HydrophobicContact CD2-CD2 4.45Å; F165-F177 HydrophobicContact CE1-CB 3.6Å; F165-F177 AromaticContact CE1-CD2 3.71Å; F165-F177 HydrophobicContact CE1-CD2 3.71Å; F165-F177 HydrophobicContact CE1-CG 4.06Å; F165-F177 HydrophobicContact CG-CD2 4Å; F165-F177 HydrophobicContact CZ-CB 3.67Å; F165-F177 HydrophobicContact CZ-CD2 4.18Å; F165-F177 HydrophobicContact CZ-CG 4.43Å; F165-L180 HydrophobicContact CB-CD2 4.09Å; F165-L180 HydrophobicContact CD2-CD2 3.56Å; F165-L180 HydrophobicContact CE2-CD2 4.25Å; F165-L180 HydrophobicContact CG-CD2 3.94Å
166	P	93.8	Very high	93.5	Very high	74 Å²	74	62 Å²	62	48%	0.481	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-60.5	151.1	-177.2	25.2	-35.6	0	0	0	112.4	I168 V173	P166-I168 PolarHBondContact O-N 2.79Å; P166-V173 HydrophobicContact CG-CG1 4.3Å
167	T	92.3	Very high	93.6	Very high	101 Å²	101	61 Å²	61	62%	0.62	32%	0.316	S	S	*	.	P	Polyproline II helix	trans	-57.3	128.6	176.3	-50.4	0	0	0	0	110.9	K169	T167-K169 PolarHBondContact O-N 2.91Å; T167-K169 VanDerWaalsContact O-N 3.15Å
168	I	92.8	Very high	93.7	Very high	2 Å²	2	55 Å²	55	1%	0.01	30%	0.295	C	S	.	.			trans	-73.5	107.4	-177.5	-53.3	177	0	0	0	109.4	L114 A117 K118 H121 F165 P166 V173 E174 F177	L114-I168 HydrophobicContact CD2-CG2 4.35Å; A117-I168 HydrophobicContact CB-CD1 3.67Å; A117-I168 HydrophobicContact CB-CG2 4.21Å; K118-I168 WeakPolarHBondContact CE-O 3.47Å; K118-I168 HydrophobicContact CG-CB 4.33Å; H121-I168 HydrophobicContact CB-CD1 3.91Å; F165-I168 HydrophobicContact CE1-CG1 4.26Å; P166-I168 PolarHBondContact O-N 2.79Å; I168-V173 HydrophobicContact CG1-CG1 4.45Å; I168-E174 HydrophobicContact CG2-CB 3.88Å; I168-E174 HydrophobicContact CG2-CG 4.49Å; I168-F177 HydrophobicContact CD1-CB 3.99Å; I168-F177 HydrophobicContact CD1-CD1 3.54Å; I168-F177 HydrophobicContact CD1-CD2 4.12Å; I168-F177 HydrophobicContact CD1-CE1 3.96Å; I168-F177 HydrophobicContact CD1-CG 3.61Å; I168-F177 HydrophobicContact CD1-CZ 4.45Å
169	K	91	Very high	93.8	Very high	146 Å²	146	62.2 Å²	62.2	64%	0.635	33%	0.326	S	S	*	.			trans	-102.8	-47.2	178.4	-65.4	178.8	-175.8	179.4	0	111.4	T167	T167-K169 PolarHBondContact O-N 2.91Å; T167-K169 VanDerWaalsContact O-N 3.15Å
170	D	92.1	Very high	93.9	Very high	98 Å²	98	62.7 Å²	62.7	52%	0.524	33%	0.329	S	S	.	.	S	Bend	trans	-128	168.3	-167.6	-46.7	-46.1	0	0	0	111.5	D172 V173 E174	D170-D172 VanDerWaalsContact C-N 3.28Å; D170-D172 PolarHBondContact O-N 3.45Å; D170-V173 PolarHBondContact O-N 3.08Å; D170-E174 PolarHBondContact O-N 3.24Å
171	Q	89.8	Confident	94	Very high	80 Å²	80	59.5 Å²	59.5	37%	0.374	32%	0.315	S	S	.	.	H	α-helix	trans	-62.6	-32.3	-177.3	-164.1	64.4	33.1	0	0	113	E174 A175	Q171-E174 PolarHBondContact NE2-OE2 3.4Å; Q171-E174 WeakPolarHBondContact O-CB 3.49Å; Q171-E174 PolarHBondContact O-N 3.29Å; Q171-A175 WeakPolarHBondContact O-CB 3.27Å; Q171-A175 PolarHBondContact O-N 3.01Å
172	D	92.5	Very high	94.1	Very high	129 Å²	129	60.7 Å²	60.7	69%	0.69	32%	0.32	S	S	*	.	H	α-helix	trans	-66.8	-40.4	178.7	-66.8	-36.3	0	0	0	112.1	D170 A175 Q176	D170-D172 VanDerWaalsContact C-N 3.28Å; D170-D172 PolarHBondContact O-N 3.45Å; D172-A175 PolarHBondContact O-N 3.3Å; D172-Q176 WeakPolarHBondContact O-CG 3.47Å; D172-Q176 PolarHBondContact O-N 3.38Å
173	V	94.6	Very high	94.2	Very high	31 Å²	31	65.3 Å²	65.3	19%	0.188	34%	0.342	C	S	.	.	H	α-helix	trans	-69.9	-37.9	176.2	-178.7	0	0	0	0	110	F165 P166 I168 D170 Q176 F177	F165-V173 HydrophobicContact CE1-CG1 3.82Å; F165-V173 HydrophobicContact CZ-CG1 4.22Å; P166-V173 HydrophobicContact CG-CG1 4.3Å; I168-V173 HydrophobicContact CG1-CG1 4.45Å; D170-V173 PolarHBondContact O-N 3.08Å; V173-Q176 PolarHBondContact O-N 2.95Å; V173-F177 PolarHBondContact O-N 3.23Å
174	E	94.5	Very high	94.4	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-61.6	-42.6	173.5	-174.4	-78.8	158.8	0	0	112	V113 L114 A117 I168 D170 Q171 Q176 F177 C178 H233 H237	V113-E174 HydrophobicContact CG1-CG 4.22Å; V113-E174 VanDerWaalsContact CG1-OE1 3.28Å; V113-E174 WeakPolarHBondContact CG1-OE1 3.2Å; L114-E174 HydrophobicContact CD2-CB 3.82Å; L114-E174 HydrophobicContact CD2-CG 4.17Å; A117-E174 HydrophobicContact CB-CG 3.63Å; I168-E174 HydrophobicContact CG2-CB 3.88Å; I168-E174 HydrophobicContact CG2-CG 4.49Å; D170-E174 PolarHBondContact O-N 3.24Å; Q171-E174 PolarHBondContact NE2-OE2 3.4Å; Q171-E174 WeakPolarHBondContact O-CB 3.49Å; Q171-E174 PolarHBondContact O-N 3.29Å; E174-Q176 VanDerWaalsContact C-N 3.29Å; E174-Q176 PolarHBondContact O-N 3.26Å; E174-F177 CarbonylContact O-C 3.57Å; E174-F177 WeakPolarHBondContact O-CA 3.47Å; E174-F177 VanDerWaalsContact O-CB 3.31Å; E174-F177 WeakPolarHBondContact O-CB 3.45Å; E174-F177 PolarHBondContact O-N 2.82Å; E174-C178 PolarHBondContact O-N 3.46Å; E174-C178 PolarHBondContact OE1-SG 2.9Å; E174-H233 IonicContact OE1-CE1 3.06Å; E174-H233 PolarHBondContact OE1-CE1 3.34Å; E174-H233 IonicContact OE1-NE2 3.34Å; E174-H233 PolarHBondContact OE1-NE2 3.45Å; E174-H237 IonicContact OE1-CD2 3.97Å; E174-H237 IonicContact OE1-CE1 3.28Å; E174-H237 PolarHBondContact OE1-CE1 3.11Å; E174-H237 VanDerWaalsContact OE1-CE1 3.28Å; E174-H237 IonicContact OE1-NE2 2.72Å; E174-H237 PolarHBondContact OE1-NE2 2.87Å; E174-H237 IonicContact OE2-CE1 3.26Å; E174-H237 PolarHBondContact OE2-CE1 3.47Å; E174-H237 VanDerWaalsContact OE2-CE1 3.26Å; E174-H237 IonicContact OE2-NE2 3.55Å
175	A	94.4	Very high	94.4	Very high	44 Å²	44	59.2 Å²	59.2	36%	0.364	31%	0.305	S	S	.	.	H	α-helix	trans	-64.5	-35	177.2	0	0	0	0	0	112.2	Q171 D172 K179	Q171-A175 WeakPolarHBondContact O-CB 3.27Å; Q171-A175 PolarHBondContact O-N 3.01Å; D172-A175 PolarHBondContact O-N 3.3Å; A175-K179 PolarHBondContact O-N 3.27Å
176	Q	96	Very high	94.4	Very high	109 Å²	109	61 Å²	61	51%	0.509	32%	0.316	S	S	.	.	H	α-helix	trans	-67.4	-39.1	171.1	-67.8	175.4	19.2	0	0	111.6	F165 D172 V173 E174 C178 K179 L180	F165-Q176 HydrophobicContact CE2-CB 4.37Å; F165-Q176 HydrophobicContact CZ-CB 3.99Å; D172-Q176 WeakPolarHBondContact O-CG 3.47Å; D172-Q176 PolarHBondContact O-N 3.38Å; V173-Q176 PolarHBondContact O-N 2.95Å; E174-Q176 VanDerWaalsContact C-N 3.29Å; E174-Q176 PolarHBondContact O-N 3.26Å; Q176-C178 VanDerWaalsContact C-N 3.34Å; Q176-C178 PolarHBondContact O-N 3.28Å; Q176-K179 WeakPolarHBondContact O-CB 3.27Å; Q176-K179 PolarHBondContact O-N 3.26Å; Q176-L180 PolarHBondContact O-N 3.34Å; Q176-L180 VanDerWaalsContact O-N 3.09Å
177	F	96.2	Very high	94.4	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-63.4	-39.9	175.5	-173.4	-114.8	0	0	0	111.8	A117 L120 H121 V162 F165 I168 V173 E174 K179 L180 V181	A117-F177 HydrophobicContact CB-CD1 4.37Å; L120-F177 HydrophobicContact CB-CE1 4.13Å; L120-F177 HydrophobicContact CB-CZ 4.5Å; L120-F177 HydrophobicContact CD2-CE1 3.92Å; L120-F177 HydrophobicContact CD2-CZ 4.4Å; L120-F177 HydrophobicContact CG-CE1 4.19Å; L120-F177 HydrophobicContact CG-CZ 4.37Å; H121-F177 HydrophobicContact CB-CE2 4.35Å; H121-F177 HydrophobicContact CB-CZ 4.03Å; H121-F177 AromaticContact CD2-CE2 3.92Å; V162-F177 HydrophobicContact CG1-CE2 4.36Å; F165-F177 HydrophobicContact CD1-CB 4.37Å; F165-F177 AromaticContact CD1-CD2 3.6Å; F165-F177 HydrophobicContact CD1-CD2 3.6Å; F165-F177 HydrophobicContact CD1-CE2 4.36Å; F165-F177 HydrophobicContact CD1-CG 4.37Å; F165-F177 HydrophobicContact CD2-CD2 4.45Å; F165-F177 HydrophobicContact CE1-CB 3.6Å; F165-F177 AromaticContact CE1-CD2 3.71Å; F165-F177 HydrophobicContact CE1-CD2 3.71Å; F165-F177 HydrophobicContact CE1-CG 4.06Å; F165-F177 HydrophobicContact CG-CD2 4Å; F165-F177 HydrophobicContact CZ-CB 3.67Å; F165-F177 HydrophobicContact CZ-CD2 4.18Å; F165-F177 HydrophobicContact CZ-CG 4.43Å; I168-F177 HydrophobicContact CD1-CB 3.99Å; I168-F177 HydrophobicContact CD1-CD1 3.54Å; I168-F177 HydrophobicContact CD1-CD2 4.12Å; I168-F177 HydrophobicContact CD1-CE1 3.96Å; I168-F177 HydrophobicContact CD1-CG 3.61Å; I168-F177 HydrophobicContact CD1-CZ 4.45Å; V173-F177 PolarHBondContact O-N 3.23Å; E174-F177 CarbonylContact O-C 3.57Å; E174-F177 WeakPolarHBondContact O-CA 3.47Å; E174-F177 VanDerWaalsContact O-CB 3.31Å; E174-F177 WeakPolarHBondContact O-CB 3.45Å; E174-F177 PolarHBondContact O-N 2.82Å; F177-K179 VanDerWaalsContact C-N 3.31Å; F177-K179 PolarHBondContact O-N 3.29Å; F177-L180 HydrophobicContact CD2-CD2 4.13Å; F177-L180 HydrophobicContact CE2-CD2 4.26Å; F177-L180 WeakPolarHBondContact O-CB 3.46Å; F177-L180 PolarHBondContact O-N 2.8Å; F177-L180 VanDerWaalsContact O-N 3.15Å; F177-V181 HydrophobicContact CD1-CG2 4.08Å; F177-V181 HydrophobicContact CE1-CG2 3.77Å; F177-V181 HydrophobicContact CE2-CG2 4.19Å; F177-V181 HydrophobicContact CG-CG2 4.45Å; F177-V181 HydrophobicContact CZ-CG2 3.82Å; F177-V181 WeakPolarHBondContact O-CG2 3.29Å; F177-V181 PolarHBondContact O-N 2.92Å
178	C	95.8	Very high	94.4	Very high	16 Å²	16	56.9 Å²	56.9	11%	0.108	29%	0.285	C	S	.	.	H	α-helix	trans	-57.2	-42.4	172.8	-82.8	0	0	0	0	112.4	E174 Q176 V181 Q182 L234 H237	E174-C178 PolarHBondContact O-N 3.46Å; E174-C178 PolarHBondContact OE1-SG 2.9Å; Q176-C178 VanDerWaalsContact C-N 3.34Å; Q176-C178 PolarHBondContact O-N 3.28Å; C178-V181 PolarHBondContact O-N 3.48Å; C178-Q182 WeakPolarHBondContact O-CB 3.44Å; C178-Q182 PolarHBondContact O-N 2.89Å; C178-L234 HydrophobicContact CB-CD2 3.85Å; C178-H237 PolarHBondContact SG-NE2 3.03Å; C178-H237 VanDerWaalsContact SG-NE2 3.38Å
179	K	96.9	Very high	94.2	Very high	156 Å²	156	60.4 Å²	60.4	68%	0.678	30%	0.301	S	S	*	.	H	α-helix	trans	-63.1	-42.2	175.9	-66.8	175.9	-175.6	175.5	0	111.8	A175 Q176 F177 Q182 Q183	A175-K179 PolarHBondContact O-N 3.27Å; Q176-K179 WeakPolarHBondContact O-CB 3.27Å; Q176-K179 PolarHBondContact O-N 3.26Å; F177-K179 VanDerWaalsContact C-N 3.31Å; F177-K179 PolarHBondContact O-N 3.29Å; K179-Q182 PolarHBondContact O-N 3.16Å; K179-Q183 WeakPolarHBondContact O-CB 3.48Å; K179-Q183 PolarHBondContact O-N 3.25Å
180	L	97.1	Very high	94.1	Very high	19 Å²	19	57.3 Å²	57.3	10%	0.099	29%	0.291	C	S	.	.	H	α-helix	trans	-59.6	-49.7	174.8	177.7	68.5	0	0	0	111.3	M161 F165 Q176 F177 Q182 Q183 L184	M161-L180 HydrophobicContact CB-CD1 4.16Å; M161-L180 HydrophobicContact CE-CD1 3.52Å; M161-L180 WeakPolarHBondContact O-CD2 3.49Å; F165-L180 HydrophobicContact CB-CD2 4.09Å; F165-L180 HydrophobicContact CD2-CD2 3.56Å; F165-L180 HydrophobicContact CE2-CD2 4.25Å; F165-L180 HydrophobicContact CG-CD2 3.94Å; Q176-L180 PolarHBondContact O-N 3.34Å; Q176-L180 VanDerWaalsContact O-N 3.09Å; F177-L180 HydrophobicContact CD2-CD2 4.13Å; F177-L180 HydrophobicContact CE2-CD2 4.26Å; F177-L180 WeakPolarHBondContact O-CB 3.46Å; F177-L180 PolarHBondContact O-N 2.8Å; F177-L180 VanDerWaalsContact O-N 3.15Å; L180-Q182 VanDerWaalsContact C-N 3.33Å; L180-Q182 PolarHBondContact O-N 2.98Å; L180-Q183 WeakPolarHBondContact O-CB 3.36Å; L180-Q183 PolarHBondContact O-N 3.02Å; L180-L184 HydrophobicContact CG-CD1 4.25Å; L180-L184 WeakPolarHBondContact O-CG 3.29Å; L180-L184 PolarHBondContact O-N 3.29Å
181	V	95.9	Very high	94.1	Very high	3 Å²	3	52.7 Å²	52.7	2%	0.018	27%	0.267	C	S	.	.	H	α-helix	trans	-61.5	-42.9	179.9	172.9	0	0	0	0	110.9	L120 F177 C178 Q183 L184 L185 A230 L234	L120-V181 HydrophobicContact CD2-CG1 4.43Å; L120-V181 HydrophobicContact CD2-CG2 4.07Å; F177-V181 HydrophobicContact CD1-CG2 4.08Å; F177-V181 HydrophobicContact CE1-CG2 3.77Å; F177-V181 HydrophobicContact CE2-CG2 4.19Å; F177-V181 HydrophobicContact CG-CG2 4.45Å; F177-V181 HydrophobicContact CZ-CG2 3.82Å; F177-V181 WeakPolarHBondContact O-CG2 3.29Å; F177-V181 PolarHBondContact O-N 2.92Å; C178-V181 PolarHBondContact O-N 3.48Å; V181-Q183 VanDerWaalsContact C-N 3.35Å; V181-Q183 PolarHBondContact O-N 2.82Å; V181-L184 PolarHBondContact O-N 3.03Å; V181-L185 HydrophobicContact CG1-CD1 4.43Å; V181-L185 WeakPolarHBondContact O-CG 3.34Å; V181-L185 PolarHBondContact O-N 2.72Å; V181-A230 HydrophobicContact CG1-CB 3.59Å; V181-L234 HydrophobicContact CG1-CD1 4.16Å; V181-L234 HydrophobicContact CG1-CG 4.3Å
182	Q	96.6	Very high	94.1	Very high	73 Å²	73	50.5 Å²	50.5	34%	0.341	26%	0.259	S	S	.	.	H	α-helix	trans	-61.6	-42.5	175.9	-174.7	62.8	64.4	0	0	111.9	C178 K179 L180 L185 D186 L234	C178-Q182 WeakPolarHBondContact O-CB 3.44Å; C178-Q182 PolarHBondContact O-N 2.89Å; K179-Q182 PolarHBondContact O-N 3.16Å; L180-Q182 VanDerWaalsContact C-N 3.33Å; L180-Q182 PolarHBondContact O-N 2.98Å; Q182-L185 PolarHBondContact O-N 2.98Å; Q182-D186 PolarHBondContact O-N 3.32Å; Q182-D186 VanDerWaalsContact O-N 3.15Å; Q182-L234 HydrophobicContact CB-CD1 4.48Å
183	Q	96.8	Very high	93.9	Very high	97 Å²	97	47.8 Å²	47.8	45%	0.453	25%	0.247	S	C	.	.	H	α-helix	trans	-60.9	-47.3	175	-179.5	-176.4	-8.6	0	0	111.1	K179 L180 V181 L185 D186 D187	K179-Q183 WeakPolarHBondContact O-CB 3.48Å; K179-Q183 PolarHBondContact O-N 3.25Å; L180-Q183 WeakPolarHBondContact O-CB 3.36Å; L180-Q183 PolarHBondContact O-N 3.02Å; V181-Q183 VanDerWaalsContact C-N 3.35Å; V181-Q183 PolarHBondContact O-N 2.82Å; Q183-L185 VanDerWaalsContact C-N 3.3Å; Q183-L185 PolarHBondContact O-N 3.19Å; Q183-D186 PolarHBondContact O-N 3.03Å; Q183-D186 VanDerWaalsContact O-N 3.13Å; Q183-D187 WeakPolarHBondContact O-CB 3.24Å; Q183-D187 PolarHBondContact O-N 3.21Å
184	L	95.4	Very high	93.6	Very high	17 Å²	17	47.7 Å²	47.7	9%	0.089	25%	0.245	C	C	.	.	H	α-helix	trans	-61.6	-38.7	179.5	-69.3	174.3	0	0	0	112.4	A158 M161 V162 L180 V181 D186 H188	A158-L184 HydrophobicContact CB-CD2 3.8Å; M161-L184 HydrophobicContact CB-CD2 4.41Å; M161-L184 HydrophobicContact CE-CD2 4.28Å; M161-L184 HydrophobicContact SD-CD2 3.78Å; V162-L184 HydrophobicContact CG2-CD1 3.43Å; V162-L184 VanDerWaalsContact CG2-CD1 3.43Å; L180-L184 HydrophobicContact CG-CD1 4.25Å; L180-L184 WeakPolarHBondContact O-CG 3.29Å; L180-L184 PolarHBondContact O-N 3.29Å; V181-L184 PolarHBondContact O-N 3.03Å; L184-D186 VanDerWaalsContact C-N 3.32Å; L184-D186 PolarHBondContact O-N 3.09Å; L184-H188 WeakPolarHBondContact O-CB 3.3Å; L184-H188 PolarHBondContact O-N 3.13Å; L184-H188 VanDerWaalsContact O-N 3.1Å; L184-H188 PolarHBondContact O-ND1 2.88Å
185	L	93.6	Very high	93.5	Very high	20 Å²	20	47.7 Å²	47.7	11%	0.105	25%	0.245	C	C	.	.	H	α-helix	trans	-63	-37.6	175.4	-73.6	177.9	0	0	0	112.4	V181 Q182 Q183 R227 A230 L234	V181-L185 HydrophobicContact CG1-CD1 4.43Å; V181-L185 WeakPolarHBondContact O-CG 3.34Å; V181-L185 PolarHBondContact O-N 2.72Å; Q182-L185 PolarHBondContact O-N 2.98Å; Q183-L185 VanDerWaalsContact C-N 3.3Å; Q183-L185 PolarHBondContact O-N 3.19Å; L185-R227 HydrophobicContact CD2-CB 4.29Å; L185-R227 HydrophobicContact CD2-CG 3.9Å; L185-A230 HydrophobicContact CD1-CB 4.1Å; L185-A230 HydrophobicContact CD2-CB 4.04Å; L185-A230 HydrophobicContact CG-CB 4.27Å; L185-L234 HydrophobicContact CD1-CD1 3.71Å
186	D	93.7	Very high	93.2	Very high	67 Å²	67	45.8 Å²	45.8	36%	0.358	23%	0.228	S	C	.	.	H	α-helix	trans	-74.7	-47	177.1	-137.6	70.8	0	0	0	111.2	Q182 Q183 L184 H188 K189	Q182-D186 PolarHBondContact O-N 3.32Å; Q182-D186 VanDerWaalsContact O-N 3.15Å; Q183-D186 PolarHBondContact O-N 3.03Å; Q183-D186 VanDerWaalsContact O-N 3.13Å; L184-D186 VanDerWaalsContact C-N 3.32Å; L184-D186 PolarHBondContact O-N 3.09Å; D186-H188 PolarHBondContact O-N 3.5Å; D186-H188 VanDerWaalsContact O-N 3.09Å; D186-K189 VanDerWaalsContact O-CB 3.26Å; D186-K189 WeakPolarHBondContact O-CB 3.23Å; D186-K189 WeakPolarHBondContact O-CD 3.27Å; D186-K189 WeakPolarHBondContact O-CG 3.31Å; D186-K189 PolarHBondContact O-N 3.39Å; D186-K189 IonicContact OD2-NZ 2.9Å; D186-K189 PolarHBondContact OD2-NZ 3.1Å
187	D	93.4	Very high	92.8	Very high	65 Å²	65	44.7 Å²	44.7	35%	0.348	22%	0.223	S	C	.	.	H	α-helix	trans	-57.7	-30.3	178.2	-72.3	-11.3	0	0	0	112.3	Q183	Q183-D187 WeakPolarHBondContact O-CB 3.24Å; Q183-D187 PolarHBondContact O-N 3.21Å
188	H	93.6	Very high	92.5	Very high	22 Å²	22	44.7 Å²	44.7	10%	0.102	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	7.3	-178.9	-70.8	68.9	0	0	0	114.1	L154 L184 D186 D190 V191 R223	L154-H188 PolarHBondContact O-NE2 2.91Å; L184-H188 WeakPolarHBondContact O-CB 3.3Å; L184-H188 PolarHBondContact O-N 3.13Å; L184-H188 VanDerWaalsContact O-N 3.1Å; L184-H188 PolarHBondContact O-ND1 2.88Å; D186-H188 PolarHBondContact O-N 3.5Å; D186-H188 VanDerWaalsContact O-N 3.09Å; H188-D190 PolarHBondContact O-N 3.44Å; H188-V191 HydrophobicContact CB-CG2 3.97Å; H188-V191 WeakPolarHBondContact O-CB 3.48Å; H188-V191 VanDerWaalsContact O-CG2 3.27Å; H188-V191 WeakPolarHBondContact O-CG2 3.47Å; H188-V191 PolarHBondContact O-N 3.32Å; H188-R223 PolarHBondContact O-NH2 3.48Å
189	K	88.9	Confident	92.1	Very high	76 Å²	76	44 Å²	44	33%	0.33	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-40	-170.1	73.4	-160.8	-174.4	-173.9	0	114.1	M12 D186 V191 R223	M12-K189 HydrophobicContact CE-CB 3.42Å; M12-K189 VanDerWaalsContact CE-CB 3.42Å; M12-K189 HydrophobicContact CE-CD 3.45Å; M12-K189 VanDerWaalsContact CE-CD 3.45Å; M12-K189 HydrophobicContact CE-CG 3.58Å; M12-K189 HydrophobicContact SD-CB 3.47Å; M12-K189 WeakPolarHBondContact SD-CB 3.38Å; M12-K189 HydrophobicContact SD-CD 4.04Å; M12-K189 HydrophobicContact SD-CG 4.22Å; D186-K189 VanDerWaalsContact O-CB 3.26Å; D186-K189 WeakPolarHBondContact O-CB 3.23Å; D186-K189 WeakPolarHBondContact O-CD 3.27Å; D186-K189 WeakPolarHBondContact O-CG 3.31Å; D186-K189 PolarHBondContact O-N 3.39Å; D186-K189 IonicContact OD2-NZ 2.9Å; D186-K189 PolarHBondContact OD2-NZ 3.1Å; K189-V191 PolarHBondContact O-N 3.21Å; K189-R223 PolarHBondContact O-NH2 3.02Å; K189-R223 VanDerWaalsContact O-NH2 3.15Å
190	D	88.1	Confident	91.6	Very high	82 Å²	82	42.5 Å²	42.5	44%	0.439	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	3.5	-175.9	-61.5	-49.3	0	0	0	113.8	H188 V192 T193 M194	H188-D190 PolarHBondContact O-N 3.44Å; D190-V192 VanDerWaalsContact C-N 3.29Å; D190-V192 PolarHBondContact O-N 3.45Å; D190-T193 WeakPolarHBondContact O-CB 3.38Å; D190-T193 PolarHBondContact O-N 3.29Å; D190-M194 WeakPolarHBondContact O-CG 3.33Å; D190-M194 PolarHBondContact O-N 3.11Å
191	V	91.4	Very high	91.1	Very high	1 Å²	1	46 Å²	46	1%	0.006	22%	0.224	C	C	.	.	H	α-helix	trans	-54.8	-40.5	-175.8	165	0	0	0	0	112.9	V151 L154 Y155 H188 K189 T193 M194 L195	V151-V191 HydrophobicContact CG1-CG1 3.74Å; V151-V191 HydrophobicContact CG1-CG2 4.35Å; L154-V191 HydrophobicContact CD1-CG2 4.29Å; Y155-V191 HydrophobicContact CE2-CG1 4.34Å; H188-V191 HydrophobicContact CB-CG2 3.97Å; H188-V191 WeakPolarHBondContact O-CB 3.48Å; H188-V191 VanDerWaalsContact O-CG2 3.27Å; H188-V191 WeakPolarHBondContact O-CG2 3.47Å; H188-V191 PolarHBondContact O-N 3.32Å; K189-V191 PolarHBondContact O-N 3.21Å; V191-T193 VanDerWaalsContact C-N 3.34Å; V191-T193 PolarHBondContact O-N 3.25Å; V191-M194 PolarHBondContact O-N 2.68Å; V191-L195 HydrophobicContact CG1-CD1 3.92Å; V191-L195 HydrophobicContact CG1-CG 4.24Å; V191-L195 WeakPolarHBondContact O-CB 3.37Å; V191-L195 VanDerWaalsContact O-CG 3.24Å; V191-L195 WeakPolarHBondContact O-CG 3.18Å; V191-L195 PolarHBondContact O-N 2.88Å
192	V	90.1	Very high	90.6	Very high	34 Å²	34	46.1 Å²	46.1	21%	0.206	23%	0.226	C	C	.	.	H	α-helix	trans	-64.2	-42.6	179.8	-178.1	0	0	0	0	110.9	D190 L195 A196 L220 F393	D190-V192 VanDerWaalsContact C-N 3.29Å; D190-V192 PolarHBondContact O-N 3.45Å; V192-L195 PolarHBondContact O-N 2.89Å; V192-A196 WeakPolarHBondContact O-CB 3.26Å; V192-A196 PolarHBondContact O-N 3.12Å; V192-L220 HydrophobicContact CB-CD2 4.37Å; V192-L220 HydrophobicContact CG1-CD2 4.05Å; V192-L220 HydrophobicContact CG2-CD2 3.72Å; V192-F393 HydrophobicContact CG1-CD1 4.28Å
193	T	88.6	Confident	89.8	Confident	71 Å²	71	47 Å²	47	44%	0.436	23%	0.226	S	C	.	.	H	α-helix	trans	-64.2	-44.7	176.7	-52.8	0	0	0	0	111.4	D190 V191 A196 Q197 F391	D190-T193 WeakPolarHBondContact O-CB 3.38Å; D190-T193 PolarHBondContact O-N 3.29Å; V191-T193 VanDerWaalsContact C-N 3.34Å; V191-T193 PolarHBondContact O-N 3.25Å; T193-A196 PolarHBondContact O-N 3.35Å; T193-Q197 PolarHBondContact O-N 2.89Å; T193-F391 HydrophobicContact CG2-CE2 4.06Å
194	M	89.4	Confident	89.1	Confident	30 Å²	30	53.6 Å²	53.6	15%	0.148	25%	0.247	C	C	.	.	H	α-helix	trans	-62.6	-43.6	177	-67.5	177.1	72.2	0	0	112	T147 Q150 V151 L154 D190 V191 Q197 G198	T147-M194 HydrophobicContact CG2-CB 3.84Å; T147-M194 HydrophobicContact CG2-CE 4.3Å; T147-M194 HydrophobicContact CG2-CG 4.42Å; T147-M194 WeakPolarHBondContact CG2-O 3.33Å; Q150-M194 HydrophobicContact CB-CE 3.89Å; Q150-M194 HydrophobicContact CG-CE 3.7Å; V151-M194 HydrophobicContact CG2-CB 3.61Å; V151-M194 HydrophobicContact CG2-CE 3.84Å; V151-M194 HydrophobicContact CG2-CG 4.49Å; V151-M194 HydrophobicContact CG2-SD 4.11Å; L154-M194 HydrophobicContact CD1-SD 4.47Å; D190-M194 WeakPolarHBondContact O-CG 3.33Å; D190-M194 PolarHBondContact O-N 3.11Å; V191-M194 PolarHBondContact O-N 2.68Å; M194-Q197 PolarHBondContact O-N 3.36Å; M194-G198 PolarHBondContact O-N 2.83Å
195	L	90.9	Very high	88.5	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-61.8	-46.5	174.4	-71.1	176.3	0	0	0	110.8	F135 I148 V151 V191 V192 Q197 G198 F199 L216 T219	F135-L195 HydrophobicContact CE1-CD2 3.93Å; F135-L195 HydrophobicContact CZ-CD2 3.98Å; I148-L195 HydrophobicContact CD1-CD2 3.84Å; V151-L195 HydrophobicContact CB-CD2 4.26Å; V151-L195 HydrophobicContact CG1-CD2 4Å; V151-L195 HydrophobicContact CG1-CG 4.31Å; V151-L195 HydrophobicContact CG2-CD2 4.24Å; V151-L195 HydrophobicContact CG2-CG 4.42Å; V191-L195 HydrophobicContact CG1-CD1 3.92Å; V191-L195 HydrophobicContact CG1-CG 4.24Å; V191-L195 WeakPolarHBondContact O-CB 3.37Å; V191-L195 VanDerWaalsContact O-CG 3.24Å; V191-L195 WeakPolarHBondContact O-CG 3.18Å; V191-L195 PolarHBondContact O-N 2.88Å; V192-L195 PolarHBondContact O-N 2.89Å; L195-Q197 VanDerWaalsContact C-N 3.31Å; L195-Q197 PolarHBondContact O-N 2.84Å; L195-G198 PolarHBondContact O-N 2.66Å; L195-F199 HydrophobicContact CB-CD2 4.4Å; L195-F199 HydrophobicContact CD2-CE2 4.11Å; L195-F199 WeakPolarHBondContact O-CB 3.39Å; L195-F199 VanDerWaalsContact O-CD2 3.25Å; L195-F199 WeakPolarHBondContact O-CD2 3.12Å; L195-F199 PolarHBondContact O-N 2.9Å; L195-L216 HydrophobicContact CB-CD2 4.48Å; L195-T219 HydrophobicContact CD1-CG2 4.2Å
196	A	88.3	Confident	87.8	Confident	3 Å²	3	58.6 Å²	58.6	3%	0.025	27%	0.269	C	S	.	.	H	α-helix	trans	-57.3	-44.8	177.8	0	0	0	0	0	111.9	V192 T193 R200 H358 F391 F393	V192-A196 WeakPolarHBondContact O-CB 3.26Å; V192-A196 PolarHBondContact O-N 3.12Å; T193-A196 PolarHBondContact O-N 3.35Å; A196-R200 VanDerWaalsContact O-CB 3.3Å; A196-R200 WeakPolarHBondContact O-CB 3.14Å; A196-R200 PolarHBondContact O-N 2.92Å; A196-R200 VanDerWaalsContact O-N 3.1Å; A196-H358 PolarHBondContact O-NE2 3.04Å; A196-F391 HydrophobicContact CB-CB 3.79Å; A196-F391 HydrophobicContact CB-CD2 3.9Å; A196-F391 HydrophobicContact CB-CG 3.88Å; A196-F393 HydrophobicContact CB-CD1 4.33Å; A196-F393 HydrophobicContact CB-CD2 3.88Å; A196-F393 HydrophobicContact CB-CE1 4.03Å; A196-F393 HydrophobicContact CB-CE2 3.57Å; A196-F393 HydrophobicContact CB-CG 4.27Å; A196-F393 HydrophobicContact CB-CZ 3.66Å
197	Q	87.7	Confident	86.9	Confident	86 Å²	86	65 Å²	65	40%	0.402	30%	0.297	S	S	.	.	H	α-helix	trans	-64.3	-51.4	175.6	-177.4	-178.2	-16.7	0	0	112.4	T193 M194 L195 F199 R200 E201	T193-Q197 PolarHBondContact O-N 2.89Å; M194-Q197 PolarHBondContact O-N 3.36Å; L195-Q197 VanDerWaalsContact C-N 3.31Å; L195-Q197 PolarHBondContact O-N 2.84Å; Q197-F199 PolarHBondContact O-N 2.81Å; Q197-R200 WeakPolarHBondContact O-CB 3.24Å; Q197-R200 PolarHBondContact O-N 2.88Å; Q197-R200 VanDerWaalsContact O-N 3.13Å; Q197-E201 PolarHBondContact NE2-OE1 2.95Å; Q197-E201 PolarHBondContact O-N 3.49Å; Q197-E201 VanDerWaalsContact O-N 3.15Å
198	G	89.4	Confident	86.4	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-61	-44.2	-177.1	0	0	0	0	0	112.6	M194 L195 R200 E201 C202	M194-G198 PolarHBondContact O-N 2.83Å; L195-G198 PolarHBondContact O-N 2.66Å; G198-R200 VanDerWaalsContact C-N 3.33Å; G198-R200 PolarHBondContact O-N 2.84Å; G198-E201 PolarHBondContact O-N 2.76Å; G198-C202 PolarHBondContact O-N 3.28Å; G198-C202 VanDerWaalsContact O-N 3.12Å; G198-C202 PolarHBondContact O-SG 3.2Å; G198-C202 VanDerWaalsContact O-SG 3.39Å
199	F	88.9	Confident	85.9	Confident	1 Å²	1	68.3 Å²	68.3	0%	0.004	31%	0.313	C	S	.	.	H	α-helix	trans	-68.9	-30.3	176.2	-80.2	-74	0	0	0	113.1	L138 I142 I148 L195 Q197 E201 C202 R203 I206 I212 F215 L216 H358	L138-F199 HydrophobicContact CD1-CZ 4.23Å; L138-F199 HydrophobicContact CD2-CE1 4.41Å; L138-F199 HydrophobicContact CD2-CZ 4.19Å; I142-F199 HydrophobicContact CD1-CE1 4.32Å; I142-F199 HydrophobicContact CG2-CD1 4.03Å; I142-F199 HydrophobicContact CG2-CE1 3.53Å; I142-F199 HydrophobicContact CG2-CZ 4.14Å; I148-F199 HydrophobicContact CD1-CD2 3.75Å; I148-F199 HydrophobicContact CD1-CE2 3.74Å; I148-F199 HydrophobicContact CD1-CG 4.34Å; I148-F199 HydrophobicContact CD1-CZ 4.36Å; L195-F199 HydrophobicContact CB-CD2 4.4Å; L195-F199 HydrophobicContact CD2-CE2 4.11Å; L195-F199 WeakPolarHBondContact O-CB 3.39Å; L195-F199 VanDerWaalsContact O-CD2 3.25Å; L195-F199 WeakPolarHBondContact O-CD2 3.12Å; L195-F199 PolarHBondContact O-N 2.9Å; Q197-F199 PolarHBondContact O-N 2.81Å; F199-E201 VanDerWaalsContact C-N 3.32Å; F199-E201 PolarHBondContact O-N 2.84Å; F199-C202 PolarHBondContact O-N 2.83Å; F199-R203 PolarHBondContact O-N 2.92Å; F199-I206 HydrophobicContact CD1-CD1 4.49Å; F199-I212 HydrophobicContact CD1-CG1 4.44Å; F199-I212 HydrophobicContact CD1-CG2 3.69Å; F199-I212 HydrophobicContact CE1-CG1 4.5Å; F199-I212 HydrophobicContact CE1-CG2 3.9Å; F199-I212 HydrophobicContact CG-CG2 4.2Å; F199-F215 HydrophobicContact CE1-CD1 4.49Å; F199-F215 AromaticContact CE2-CD1 3.81Å; F199-F215 HydrophobicContact CE2-CD1 3.81Å; F199-F215 AromaticContact CE2-CE1 3.59Å; F199-F215 HydrophobicContact CE2-CE1 3.59Å; F199-F215 AromaticContact CZ-CD1 3.45Å; F199-F215 HydrophobicContact CZ-CD1 3.45Å; F199-F215 VanDerWaalsContact CZ-CD1 3.45Å; F199-F215 AromaticContact CZ-CE1 3.53Å; F199-F215 HydrophobicContact CZ-CE1 3.53Å; F199-F215 HydrophobicContact CZ-CG 4.4Å; F199-L216 HydrophobicContact CD2-CD2 3.89Å; F199-L216 HydrophobicContact CE2-CD2 3.77Å; F199-L216 HydrophobicContact CE2-CG 4.39Å; F199-H358 WeakPolarHBondContact CB-CE1 3.44Å
200	R	86.1	Confident	85.8	Confident	125 Å²	125	69 Å²	69	47%	0.472	32%	0.324	S	S	.	.	H	α-helix	trans	-62.3	-42.2	174.6	-177.8	179.4	171.9	154.4	8.1	111.1	A196 Q197 G198 H358 E363	A196-R200 VanDerWaalsContact O-CB 3.3Å; A196-R200 WeakPolarHBondContact O-CB 3.14Å; A196-R200 PolarHBondContact O-N 2.92Å; A196-R200 VanDerWaalsContact O-N 3.1Å; Q197-R200 WeakPolarHBondContact O-CB 3.24Å; Q197-R200 PolarHBondContact O-N 2.88Å; Q197-R200 VanDerWaalsContact O-N 3.13Å; G198-R200 VanDerWaalsContact C-N 3.33Å; G198-R200 PolarHBondContact O-N 2.84Å; R200-H358 PolarHBondContact N-NE2 2.74Å; R200-E363 IonicContact CZ-OE1 3.05Å; R200-E363 IonicContact NH1-OE1 3.33Å; R200-E363 IonicContact NH2-OE1 3.66Å; R200-E363 PolarHBondContact NH2-OE1 3.33Å
201	E	86.1	Confident	85.7	Confident	92 Å²	92	68.6 Å²	68.6	43%	0.43	32%	0.321	S	S	.	.	H	α-helix	trans	-67.6	-39.5	177.6	-67.4	169.1	-167.5	0	0	111.8	N145 Q197 G198 F199	N145-E201 PolarHBondContact ND2-OE2 3.46Å; Q197-E201 PolarHBondContact NE2-OE1 2.95Å; Q197-E201 PolarHBondContact O-N 3.49Å; Q197-E201 VanDerWaalsContact O-N 3.15Å; G198-E201 PolarHBondContact O-N 2.76Å; F199-E201 VanDerWaalsContact C-N 3.32Å; F199-E201 PolarHBondContact O-N 2.84Å
202	C	85.6	Confident	85.5	Confident	7 Å²	7	69.1 Å²	69.1	5%	0.047	32%	0.323	C	S	.	.	H	α-helix	trans	-75.8	-20.8	179.8	-67.7	0	0	0	0	114.1	I142 N145 G198 F199 R204 H205 I206	I142-C202 HydrophobicContact CG1-CB 4.27Å; I142-C202 HydrophobicContact CG2-CB 4.49Å; N145-C202 WeakPolarHBondContact CB-SG 3.14Å; G198-C202 PolarHBondContact O-N 3.28Å; G198-C202 VanDerWaalsContact O-N 3.12Å; G198-C202 PolarHBondContact O-SG 3.2Å; G198-C202 VanDerWaalsContact O-SG 3.39Å; F199-C202 PolarHBondContact O-N 2.83Å; C202-R204 PolarHBondContact O-N 2.9Å; C202-H205 PolarHBondContact O-N 3.25Å; C202-I206 HydrophobicContact CB-CD1 4.04Å; C202-I206 WeakPolarHBondContact O-CG1 3.39Å
203	R	79.9	Confident	85.5	Confident	91 Å²	91	71.1 Å²	71.1	34%	0.343	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-48.5	-40.6	-168.9	-169.2	176.8	-178.6	-178.9	5	114.6	F199 H205 I206 E209 H358	F199-R203 PolarHBondContact O-N 2.92Å; R203-H205 PolarHBondContact O-N 3.22Å; R203-H205 VanDerWaalsContact O-N 3.1Å; R203-I206 PolarHBondContact O-N 2.9Å; R203-I206 VanDerWaalsContact O-N 3.16Å; R203-E209 IonicContact CZ-OE1 3.17Å; R203-E209 IonicContact NE-OE1 3.14Å; R203-E209 PolarHBondContact NE-OE1 3.17Å; R203-E209 IonicContact NH2-OE1 3.57Å; R203-E209 PolarHBondContact NH2-OE1 2.85Å; R203-H358 PolarHBondContact NH1-O 3.31Å
204	R	81.8	Confident	85.7	Confident	236 Å²	236	71.2 Å²	71.2	89%	0.891	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-61.5	-20.7	-179.3	-61.3	-176.7	-168.4	156.7	3.1	114.1	C202	C202-R204 PolarHBondContact O-N 2.9Å
205	H	82.4	Confident	85.9	Confident	113 Å²	113	70.6 Å²	70.6	52%	0.523	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-103	1.5	-175.9	-52.6	90.9	0	0	0	112.7	I141 C202 R203	I141-H205 HydrophobicContact CD1-CB 3.61Å; I141-H205 HydrophobicContact CG1-CB 4.14Å; I141-H205 HydrophobicContact CG2-CB 4.49Å; C202-H205 PolarHBondContact O-N 3.25Å; R203-H205 PolarHBondContact O-N 3.22Å; R203-H205 VanDerWaalsContact O-N 3.1Å
206	I	78.8	Confident	86.1	Confident	29 Å²	29	70.6 Å²	70.6	15%	0.149	33%	0.327	C	S	.	.			trans	-100.9	119.5	-174.8	-54.3	172.4	0	0	0	108.3	I142 F199 C202 R203 D208 I212	I142-I206 HydrophobicContact CD1-CD1 3.42Å; I142-I206 VanDerWaalsContact CD1-CD1 3.42Å; I142-I206 HydrophobicContact CD1-CG1 3.71Å; I142-I206 HydrophobicContact CG1-CD1 3.9Å; I142-I206 HydrophobicContact CG1-CG1 4.02Å; F199-I206 HydrophobicContact CD1-CD1 4.49Å; C202-I206 HydrophobicContact CB-CD1 4.04Å; C202-I206 WeakPolarHBondContact O-CG1 3.39Å; R203-I206 PolarHBondContact O-N 2.9Å; R203-I206 VanDerWaalsContact O-N 3.16Å; I206-D208 WeakPolarHBondContact CG2-O 3.25Å; I206-I212 HydrophobicContact CB-CD1 4.08Å; I206-I212 HydrophobicContact CD1-CD1 3.23Å; I206-I212 HydrophobicContact CD1-CG1 3.77Å; I206-I212 HydrophobicContact CG1-CD1 4.19Å; I206-I212 HydrophobicContact CG2-CD1 3.7Å; I206-I212 HydrophobicContact CG2-CG1 3.9Å
207	Q	76.4	Confident	86.4	Confident	202 Å²	202	72.1 Å²	72.1	94%	0.944	34%	0.335	S	S	*	.	S	Bend	trans	-87	-31.4	178.8	-63.2	-179.9	5.2	0	0	111.8
208	D	81.7	Confident	86.7	Confident	68 Å²	68	71 Å²	71	36%	0.364	33%	0.334	S	S	.	.			trans	-115.7	100.3	-178.5	-174	-2.1	0	0	0	110.9	I206 T210 I211	I206-D208 WeakPolarHBondContact CG2-O 3.25Å; D208-T210 VanDerWaalsContact CG-OG1 3.23Å; D208-T210 PolarHBondContact O-N 3.49Å; D208-T210 VanDerWaalsContact OD1-CB 3.26Å; D208-T210 WeakPolarHBondContact OD1-CB 3.39Å; D208-T210 WeakPolarHBondContact OD1-CG2 3.24Å; D208-T210 PolarHBondContact OD1-N 3.1Å; D208-T210 PolarHBondContact OD1-OG1 2.98Å; D208-T210 PolarHBondContact OD2-OG1 2.91Å; D208-I211 HydrophobicContact CB-CD1 3.99Å; D208-I211 HydrophobicContact CB-CG1 4.25Å; D208-I211 WeakPolarHBondContact OD2-CG1 3.25Å
209	E	83	Confident	86.9	Confident	87 Å²	87	71.1 Å²	71.1	41%	0.407	33%	0.334	S	S	.	.	H	α-helix	trans	-68.6	-18.5	177.6	-69	-168.8	150.5	0	0	112.3	R203 I211 I212 R213	R203-E209 IonicContact CZ-OE1 3.17Å; R203-E209 IonicContact NE-OE1 3.14Å; R203-E209 PolarHBondContact NE-OE1 3.17Å; R203-E209 IonicContact NH2-OE1 3.57Å; R203-E209 PolarHBondContact NH2-OE1 2.85Å; E209-I211 VanDerWaalsContact C-N 3.32Å; E209-I211 PolarHBondContact O-N 3.01Å; E209-I212 PolarHBondContact O-N 3.1Å; E209-R213 PolarHBondContact O-N 3.26Å
210	T	87	Confident	87.1	Confident	92 Å²	92	71 Å²	71	56%	0.564	33%	0.334	S	S	*	.	H	α-helix	trans	-67.8	-33.8	-179.8	73.2	0	0	0	0	112.1	D208 R213 S214	D208-T210 VanDerWaalsContact CG-OG1 3.23Å; D208-T210 PolarHBondContact O-N 3.49Å; D208-T210 VanDerWaalsContact OD1-CB 3.26Å; D208-T210 WeakPolarHBondContact OD1-CB 3.39Å; D208-T210 WeakPolarHBondContact OD1-CG2 3.24Å; D208-T210 PolarHBondContact OD1-N 3.1Å; D208-T210 PolarHBondContact OD1-OG1 2.98Å; D208-T210 PolarHBondContact OD2-OG1 2.91Å; T210-R213 PolarHBondContact O-N 3.33Å; T210-S214 WeakPolarHBondContact O-CB 3.1Å; T210-S214 PolarHBondContact O-N 2.93Å
211	I	87.1	Confident	87.4	Confident	73 Å²	73	65.8 Å²	65.8	37%	0.374	32%	0.317	S	S	.	.	H	α-helix	trans	-63.1	-44.6	175.8	-63.5	173.8	0	0	0	110.2	P139 D208 E209 F215	P139-I211 HydrophobicContact CG-CG2 4.43Å; D208-I211 HydrophobicContact CB-CD1 3.99Å; D208-I211 HydrophobicContact CB-CG1 4.25Å; D208-I211 WeakPolarHBondContact OD2-CG1 3.25Å; E209-I211 VanDerWaalsContact C-N 3.32Å; E209-I211 PolarHBondContact O-N 3.01Å; I211-F215 VanDerWaalsContact O-CB 3.27Å; I211-F215 WeakPolarHBondContact O-CB 3.4Å; I211-F215 PolarHBondContact O-N 3.35Å
212	I	86.9	Confident	87.7	Confident	11 Å²	11	62.5 Å²	62.5	6%	0.056	30%	0.303	C	S	.	.	H	α-helix	trans	-62.1	-48.4	177.9	-52.4	174.4	0	0	0	109.7	F199 I206 E209 F215 L216	F199-I212 HydrophobicContact CD1-CG1 4.44Å; F199-I212 HydrophobicContact CD1-CG2 3.69Å; F199-I212 HydrophobicContact CE1-CG1 4.5Å; F199-I212 HydrophobicContact CE1-CG2 3.9Å; F199-I212 HydrophobicContact CG-CG2 4.2Å; I206-I212 HydrophobicContact CB-CD1 4.08Å; I206-I212 HydrophobicContact CD1-CD1 3.23Å; I206-I212 HydrophobicContact CD1-CG1 3.77Å; I206-I212 HydrophobicContact CG1-CD1 4.19Å; I206-I212 HydrophobicContact CG2-CD1 3.7Å; I206-I212 HydrophobicContact CG2-CG1 3.9Å; E209-I212 PolarHBondContact O-N 3.1Å; I212-F215 PolarHBondContact O-N 3.37Å; I212-L216 HydrophobicContact CG2-CD1 3.66Å; I212-L216 HydrophobicContact CG2-CG 4.08Å; I212-L216 WeakPolarHBondContact O-CB 3.4Å; I212-L216 WeakPolarHBondContact O-CG 3.28Å; I212-L216 PolarHBondContact O-N 3.18Å
213	R	90.6	Very high	88.1	Confident	77 Å²	77	63.1 Å²	63.1	29%	0.291	31%	0.305	S	S	.	.	H	α-helix	trans	-60.4	-50.5	-177.7	-179.8	169	173.6	158.9	-20.1	111.4	E209 T210 F215 L216 D217 M355 D356 Y357 R399	E209-R213 PolarHBondContact O-N 3.26Å; T210-R213 PolarHBondContact O-N 3.33Å; R213-F215 VanDerWaalsContact C-N 3.31Å; R213-F215 PolarHBondContact O-N 2.96Å; R213-L216 PolarHBondContact O-N 3.11Å; R213-D217 IonicContact NE-OD2 3.24Å; R213-D217 WeakPolarHBondContact O-CB 3.25Å; R213-D217 VanDerWaalsContact O-CG 3.28Å; R213-D217 PolarHBondContact O-N 3.42Å; R213-M355 PolarHBondContact NH1-O 3.31Å; R213-D356 IonicContact NH1-OD1 3.6Å; R213-D356 PolarHBondContact NH1-OD1 3.31Å; R213-Y357 HydrophobicContact CG-CD2 4.34Å; R213-Y357 HydrophobicContact CG-CE2 4.25Å; R213-R399 VanDerWaalsContact NH2-NH1 3.18Å
214	S	92.4	Very high	88.6	Confident	72 Å²	72	58.8 Å²	58.8	50%	0.503	29%	0.289	S	S	.	.	H	α-helix	trans	-58.2	-43.4	176.4	179.3	0	0	0	0	112	T210 T218	T210-S214 WeakPolarHBondContact O-CB 3.1Å; T210-S214 PolarHBondContact O-N 2.93Å; S214-T218 WeakPolarHBondContact O-CB 3.45Å; S214-T218 PolarHBondContact O-N 3Å; S214-T218 VanDerWaalsContact O-N 3.08Å; S214-T218 PolarHBondContact O-OG1 3.48Å
215	F	93.8	Very high	89.1	Confident	18 Å²	18	47.6 Å²	47.6	8%	0.079	25%	0.246	C	C	.	.	H	α-helix	trans	-62.3	-48.7	176.1	172.6	-91	0	0	0	112.4	F135 L138 F199 I211 I212 R213 T219	F135-F215 HydrophobicContact CD1-CE2 4.44Å; F135-F215 AromaticContact CD1-CZ 3.93Å; F135-F215 HydrophobicContact CD1-CZ 3.93Å; F135-F215 HydrophobicContact CD2-CZ 4.39Å; F135-F215 AromaticContact CE1-CZ 3.72Å; F135-F215 HydrophobicContact CE1-CZ 3.72Å; F135-F215 HydrophobicContact CE2-CZ 4.18Å; F135-F215 HydrophobicContact CG-CE2 4.41Å; F135-F215 HydrophobicContact CG-CZ 4.25Å; F135-F215 AromaticContact CZ-CZ 3.83Å; F135-F215 HydrophobicContact CZ-CZ 3.83Å; L138-F215 HydrophobicContact CD1-CD2 4.31Å; L138-F215 HydrophobicContact CD1-CE1 4.3Å; L138-F215 HydrophobicContact CD1-CE2 3.86Å; L138-F215 HydrophobicContact CD1-CZ 3.86Å; L138-F215 HydrophobicContact CD2-CB 4.16Å; L138-F215 HydrophobicContact CD2-CD1 4.16Å; L138-F215 HydrophobicContact CD2-CD2 3.63Å; L138-F215 HydrophobicContact CD2-CE2 4.05Å; L138-F215 HydrophobicContact CD2-CG 3.69Å; L138-F215 HydrophobicContact CD2-CZ 4.49Å; L138-F215 HydrophobicContact CG-CD2 3.98Å; L138-F215 HydrophobicContact CG-CE2 3.93Å; L138-F215 HydrophobicContact CG-CG 4.48Å; L138-F215 HydrophobicContact CG-CZ 4.41Å; F199-F215 HydrophobicContact CE1-CD1 4.49Å; F199-F215 AromaticContact CE2-CD1 3.81Å; F199-F215 HydrophobicContact CE2-CD1 3.81Å; F199-F215 AromaticContact CE2-CE1 3.59Å; F199-F215 HydrophobicContact CE2-CE1 3.59Å; F199-F215 AromaticContact CZ-CD1 3.45Å; F199-F215 HydrophobicContact CZ-CD1 3.45Å; F199-F215 VanDerWaalsContact CZ-CD1 3.45Å; F199-F215 AromaticContact CZ-CE1 3.53Å; F199-F215 HydrophobicContact CZ-CE1 3.53Å; F199-F215 HydrophobicContact CZ-CG 4.4Å; I211-F215 VanDerWaalsContact O-CB 3.27Å; I211-F215 WeakPolarHBondContact O-CB 3.4Å; I211-F215 PolarHBondContact O-N 3.35Å; I212-F215 PolarHBondContact O-N 3.37Å; R213-F215 VanDerWaalsContact C-N 3.31Å; R213-F215 PolarHBondContact O-N 2.96Å; F215-T219 HydrophobicContact CZ-CG2 4.4Å; F215-T219 WeakPolarHBondContact O-CB 3.24Å; F215-T219 PolarHBondContact O-N 3.36Å; F215-T219 PolarHBondContact O-OG1 3.45Å
216	L	94.2	Very high	89.5	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-66.2	-48	-178.3	-74.8	177.3	0	0	0	111.1	L195 F199 I212 R213 T218 T219 L220 Y357 F393	L195-L216 HydrophobicContact CB-CD2 4.48Å; F199-L216 HydrophobicContact CD2-CD2 3.89Å; F199-L216 HydrophobicContact CE2-CD2 3.77Å; F199-L216 HydrophobicContact CE2-CG 4.39Å; I212-L216 HydrophobicContact CG2-CD1 3.66Å; I212-L216 HydrophobicContact CG2-CG 4.08Å; I212-L216 WeakPolarHBondContact O-CB 3.4Å; I212-L216 WeakPolarHBondContact O-CG 3.28Å; I212-L216 PolarHBondContact O-N 3.18Å; R213-L216 PolarHBondContact O-N 3.11Å; L216-T218 VanDerWaalsContact C-N 3.33Å; L216-T218 PolarHBondContact O-N 3.19Å; L216-T219 PolarHBondContact O-N 2.89Å; L216-L220 HydrophobicContact CB-CD1 4.46Å; L216-L220 VanDerWaalsContact O-CB 3.26Å; L216-L220 WeakPolarHBondContact O-CB 3.19Å; L216-L220 WeakPolarHBondContact O-CG 3.45Å; L216-L220 PolarHBondContact O-N 3.27Å; L216-Y357 HydrophobicContact CB-CD2 4.04Å; L216-Y357 HydrophobicContact CB-CE1 4.21Å; L216-Y357 HydrophobicContact CB-CE2 3.66Å; L216-Y357 HydrophobicContact CB-CG 4.46Å; L216-Y357 HydrophobicContact CD1-CD1 3.72Å; L216-Y357 HydrophobicContact CD1-CD2 3.64Å; L216-Y357 HydrophobicContact CD1-CE1 4.19Å; L216-Y357 HydrophobicContact CD1-CE2 4.13Å; L216-Y357 HydrophobicContact CD1-CG 3.41Å; L216-Y357 VanDerWaalsContact CD1-CG 3.41Å; L216-Y357 HydrophobicContact CG-CD2 4.49Å; L216-F393 HydrophobicContact CD1-CE1 4.02Å; L216-F393 HydrophobicContact CD1-CZ 3.77Å; L216-F393 HydrophobicContact CD2-CE1 4.16Å; L216-F393 HydrophobicContact CD2-CZ 4.39Å
217	D	93.9	Very high	90.2	Very high	34 Å²	34	43.6 Å²	43.6	18%	0.182	23%	0.226	C	C	.	.	H	α-helix	trans	-55.6	-50.7	177.3	-72.1	-19.3	0	0	0	110.2	R213 T219 C221 Y357 A400	R213-D217 IonicContact NE-OD2 3.24Å; R213-D217 WeakPolarHBondContact O-CB 3.25Å; R213-D217 VanDerWaalsContact O-CG 3.28Å; R213-D217 PolarHBondContact O-N 3.42Å; D217-T219 PolarHBondContact O-N 3.38Å; D217-C221 VanDerWaalsContact O-CB 3.24Å; D217-C221 WeakPolarHBondContact O-CB 3.45Å; D217-C221 PolarHBondContact O-N 3.13Å; D217-C221 PolarHBondContact O-SG 3.25Å; D217-Y357 WeakPolarHBondContact OD1-CE2 3.15Å; D217-Y357 VanDerWaalsContact OD1-CZ 3.3Å; D217-Y357 PolarHBondContact OD1-OH 2.91Å; D217-A400 HydrophobicContact CB-CB 4.4Å
218	T	94	Very high	90.9	Very high	64 Å²	64	34.2 Å²	34.2	39%	0.393	18%	0.183	S	C	.	.	H	α-helix	trans	-64.4	-41.2	-179.4	-49.5	0	0	0	0	111.7	R131 S214 L216 S222	R131-T218 PolarHBondContact NH1-O 3.43Å; S214-T218 WeakPolarHBondContact O-CB 3.45Å; S214-T218 PolarHBondContact O-N 3Å; S214-T218 VanDerWaalsContact O-N 3.08Å; S214-T218 PolarHBondContact O-OG1 3.48Å; L216-T218 VanDerWaalsContact C-N 3.33Å; L216-T218 PolarHBondContact O-N 3.19Å; T218-S222 WeakPolarHBondContact O-CB 3.27Å; T218-S222 PolarHBondContact O-N 3.12Å
219	T	93.9	Very high	91.3	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.006	17%	0.167	C	C	.	.	H	α-helix	trans	-73.8	-43	-175.8	-62.9	0	0	0	0	112.2	R131 L195 F215 L216 D217 R223	R131-T219 VanDerWaalsContact NH1-CA 3.3Å; R131-T219 PolarHBondContact NH1-OG1 3Å; R131-T219 VanDerWaalsContact NH1-OG1 3.08Å; L195-T219 HydrophobicContact CD1-CG2 4.2Å; F215-T219 HydrophobicContact CZ-CG2 4.4Å; F215-T219 WeakPolarHBondContact O-CB 3.24Å; F215-T219 PolarHBondContact O-N 3.36Å; F215-T219 PolarHBondContact O-OG1 3.45Å; L216-T219 PolarHBondContact O-N 2.89Å; D217-T219 PolarHBondContact O-N 3.38Å; T219-R223 VanDerWaalsContact O-CB 3.26Å; T219-R223 WeakPolarHBondContact O-CB 3.29Å; T219-R223 PolarHBondContact O-N 3.5Å
220	L	93.3	Very high	91.7	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-67.9	-42	177.7	-64.1	175.9	0	0	0	110.9	V192 L216 R223 L224 Y357 F393 T397 Y401	V192-L220 HydrophobicContact CB-CD2 4.37Å; V192-L220 HydrophobicContact CG1-CD2 4.05Å; V192-L220 HydrophobicContact CG2-CD2 3.72Å; L216-L220 HydrophobicContact CB-CD1 4.46Å; L216-L220 VanDerWaalsContact O-CB 3.26Å; L216-L220 WeakPolarHBondContact O-CB 3.19Å; L216-L220 WeakPolarHBondContact O-CG 3.45Å; L216-L220 PolarHBondContact O-N 3.27Å; L220-R223 PolarHBondContact O-N 3.39Å; L220-L224 PolarHBondContact O-N 2.73Å; L220-Y357 HydrophobicContact CD1-CE1 3.84Å; L220-F393 HydrophobicContact CD1-CD1 4.36Å; L220-F393 HydrophobicContact CD1-CE1 4.44Å; L220-T397 HydrophobicContact CD1-CG2 4.11Å; L220-Y401 HydrophobicContact CB-CE1 3.97Å; L220-Y401 WeakPolarHBondContact O-CE1 3.49Å
221	C	92.8	Very high	92	Very high	15 Å²	15	24.3 Å²	24.3	10%	0.101	13%	0.13	C	C	.	.	H	α-helix	trans	-66.1	-44.9	176.8	-66.1	0	0	0	0	111.9	D217 R223 L224 G225 A400 Y404	D217-C221 VanDerWaalsContact O-CB 3.24Å; D217-C221 WeakPolarHBondContact O-CB 3.45Å; D217-C221 PolarHBondContact O-N 3.13Å; D217-C221 PolarHBondContact O-SG 3.25Å; C221-R223 VanDerWaalsContact C-N 3.31Å; C221-R223 PolarHBondContact O-N 3.17Å; C221-L224 WeakPolarHBondContact O-CB 3.33Å; C221-L224 PolarHBondContact O-N 2.92Å; C221-G225 PolarHBondContact O-N 3.33Å; C221-A400 PolarHBondContact SG-O 3.15Å; C221-A400 VanDerWaalsContact SG-O 3.34Å; C221-Y404 HydrophobicContact CB-CD1 4.49Å; C221-Y404 HydrophobicContact CB-CD2 3.93Å; C221-Y404 HydrophobicContact CB-CG 3.92Å
222	S	92.9	Very high	92.2	Very high	22 Å²	22	21.1 Å²	21.1	15%	0.154	11%	0.114	C	C	.	.	H	α-helix	trans	-61.3	-40.4	175.1	176.4	0	0	0	0	111.6	R131 T218 G225 I226	R131-S222 WeakPolarHBondContact CD-OG 3.27Å; R131-S222 PolarHBondContact NE-OG 2.8Å; T218-S222 WeakPolarHBondContact O-CB 3.27Å; T218-S222 PolarHBondContact O-N 3.12Å; S222-G225 PolarHBondContact O-N 3.17Å; S222-I226 WeakPolarHBondContact O-CG1 3.49Å; S222-I226 PolarHBondContact O-N 3.41Å
223	R	93.6	Very high	92.4	Very high	20 Å²	20	20.6 Å²	20.6	8%	0.075	11%	0.111	C	C	.	.	H	α-helix	trans	-62.3	-42.7	173.7	-176.5	179	177.9	-82.8	5	112.1	H188 K189 T219 L220 C221 I226 R227	H188-R223 PolarHBondContact O-NH2 3.48Å; K189-R223 PolarHBondContact O-NH2 3.02Å; K189-R223 VanDerWaalsContact O-NH2 3.15Å; T219-R223 VanDerWaalsContact O-CB 3.26Å; T219-R223 WeakPolarHBondContact O-CB 3.29Å; T219-R223 PolarHBondContact O-N 3.5Å; L220-R223 PolarHBondContact O-N 3.39Å; C221-R223 VanDerWaalsContact C-N 3.31Å; C221-R223 PolarHBondContact O-N 3.17Å; R223-I226 PolarHBondContact O-N 3.13Å; R223-R227 VanDerWaalsContact O-CB 3.29Å; R223-R227 WeakPolarHBondContact O-CB 3.3Å; R223-R227 PolarHBondContact O-N 2.79Å
224	L	91.2	Very high	92.5	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.005	10%	0.103	C	C	.	.	H	α-helix	trans	-58.8	-47.9	174.2	175.9	63.9	0	0	0	110.5	L220 C221 R227 M228 L293 Y297 Y401 Y404	L220-L224 PolarHBondContact O-N 2.73Å; C221-L224 WeakPolarHBondContact O-CB 3.33Å; C221-L224 PolarHBondContact O-N 2.92Å; L224-R227 PolarHBondContact O-N 3.44Å; L224-M228 HydrophobicContact CD1-CG 4.26Å; L224-M228 HydrophobicContact CD1-SD 4.28Å; L224-M228 HydrophobicContact CG-CG 4.44Å; L224-M228 HydrophobicContact CG-SD 4.01Å; L224-M228 WeakPolarHBondContact O-CB 3.48Å; L224-M228 VanDerWaalsContact O-CG 3.27Å; L224-M228 WeakPolarHBondContact O-CG 3.46Å; L224-M228 PolarHBondContact O-N 3.27Å; L224-L293 HydrophobicContact CD1-CD2 4.33Å; L224-Y297 HydrophobicContact CD1-CD2 4.14Å; L224-Y297 HydrophobicContact CD1-CE2 4.08Å; L224-Y401 HydrophobicContact CB-CD1 4.26Å; L224-Y401 HydrophobicContact CB-CE1 3.86Å; L224-Y401 HydrophobicContact CD2-CD1 3.58Å; L224-Y401 HydrophobicContact CD2-CD2 4.04Å; L224-Y401 HydrophobicContact CD2-CE1 4Å; L224-Y401 HydrophobicContact CD2-CE2 4.41Å; L224-Y401 HydrophobicContact CD2-CG 3.6Å; L224-Y401 HydrophobicContact CG-CE1 4.49Å; L224-Y404 HydrophobicContact CD2-CD1 4.2Å
225	G	90.9	Very high	92.4	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-61.6	-45.5	178.2	0	0	0	0	0	113.7	C221 S222 R227 M228 L229 Y404	C221-G225 PolarHBondContact O-N 3.33Å; S222-G225 PolarHBondContact O-N 3.17Å; G225-R227 VanDerWaalsContact C-N 3.33Å; G225-R227 PolarHBondContact O-N 2.92Å; G225-M228 WeakPolarHBondContact O-CB 3.24Å; G225-M228 PolarHBondContact O-N 2.73Å; G225-L229 WeakPolarHBondContact O-CG 3.49Å; G225-L229 PolarHBondContact O-N 2.85Å; G225-Y404 WeakPolarHBondContact CA-OH 3.42Å
226	I	91.6	Very high	92.2	Very high	25 Å²	25	14.6 Å²	14.6	13%	0.128	8%	0.081	C	C	.	.	H	α-helix	trans	-57.6	-47.7	174.2	-72.5	165.7	0	0	0	110.5	L124 R127 I128 S222 R223 M228 L229 A230	L124-I226 HydrophobicContact CD2-CB 4.43Å; L124-I226 HydrophobicContact CD2-CG1 4.36Å; L124-I226 HydrophobicContact CD2-CG2 3.74Å; R127-I226 HydrophobicContact CB-CD1 3.93Å; R127-I226 HydrophobicContact CB-CG1 3.92Å; I128-I226 HydrophobicContact CG1-CD1 4.34Å; S222-I226 WeakPolarHBondContact O-CG1 3.49Å; S222-I226 PolarHBondContact O-N 3.41Å; R223-I226 PolarHBondContact O-N 3.13Å; I226-M228 VanDerWaalsContact C-N 3.32Å; I226-M228 PolarHBondContact O-N 3.15Å; I226-L229 PolarHBondContact O-N 2.94Å; I226-A230 VanDerWaalsContact O-CB 3.3Å; I226-A230 WeakPolarHBondContact O-CB 3.36Å; I226-A230 PolarHBondContact O-N 2.99Å
227	R	92.9	Very high	91.9	Very high	34 Å²	34	18.9 Å²	18.9	13%	0.128	10%	0.101	C	C	.	.	H	α-helix	trans	-66.2	-35.3	-179.8	-174.3	167.5	168	87.2	2.6	111.9	L185 R223 L224 G225 T231 L293 Y297	L185-R227 HydrophobicContact CD2-CB 4.29Å; L185-R227 HydrophobicContact CD2-CG 3.9Å; R223-R227 VanDerWaalsContact O-CB 3.29Å; R223-R227 WeakPolarHBondContact O-CB 3.3Å; R223-R227 PolarHBondContact O-N 2.79Å; L224-R227 PolarHBondContact O-N 3.44Å; G225-R227 VanDerWaalsContact C-N 3.33Å; G225-R227 PolarHBondContact O-N 2.92Å; R227-T231 WeakPolarHBondContact O-CB 3.22Å; R227-T231 PolarHBondContact O-N 3.44Å; R227-T231 PolarHBondContact O-OG1 3.32Å; R227-L293 HydrophobicContact CG-CD2 4.45Å; R227-Y297 WeakPolarHBondContact CD-OH 3.16Å; R227-Y297 PolarHBondContact NE-OH 2.94Å
228	M	90.4	Very high	91.6	Very high	5 Å²	5	20.3 Å²	20.3	3%	0.025	11%	0.106	C	C	.	.	H	α-helix	trans	-60.6	-52.3	172.9	-76.5	174.6	74.3	0	0	111.4	L224 G225 I226 H232 M246 I291 L293 L405 V437	L224-M228 HydrophobicContact CD1-CG 4.26Å; L224-M228 HydrophobicContact CD1-SD 4.28Å; L224-M228 HydrophobicContact CG-CG 4.44Å; L224-M228 HydrophobicContact CG-SD 4.01Å; L224-M228 WeakPolarHBondContact O-CB 3.48Å; L224-M228 VanDerWaalsContact O-CG 3.27Å; L224-M228 WeakPolarHBondContact O-CG 3.46Å; L224-M228 PolarHBondContact O-N 3.27Å; G225-M228 WeakPolarHBondContact O-CB 3.24Å; G225-M228 PolarHBondContact O-N 2.73Å; I226-M228 VanDerWaalsContact C-N 3.32Å; I226-M228 PolarHBondContact O-N 3.15Å; M228-H232 WeakPolarHBondContact O-CB 3.33Å; M228-H232 PolarHBondContact O-N 3.35Å; M228-M246 HydrophobicContact CB-SD 4.14Å; M228-M246 HydrophobicContact CG-SD 4.3Å; M228-M246 WeakPolarHBondContact O-CE 3.39Å; M228-I291 HydrophobicContact CE-CD1 3.57Å; M228-I291 HydrophobicContact CE-CG2 4.3Å; M228-L293 HydrophobicContact CG-CD2 3.72Å; M228-L405 HydrophobicContact CE-CD2 4.29Å; M228-L405 HydrophobicContact SD-CD2 4.27Å; M228-V437 HydrophobicContact CB-CG1 4.35Å; M228-V437 HydrophobicContact CE-CG2 3.87Å; M228-V437 HydrophobicContact SD-CG1 4.41Å; M228-V437 HydrophobicContact SD-CG2 4.36Å
229	L	90.8	Very high	91.1	Very high	6 Å²	6	24.3 Å²	24.3	3%	0.031	13%	0.125	C	C	.	.	H	α-helix	trans	-62.9	-46.5	180	-68.5	174.3	0	0	0	112.4	L96 L101 Y119 L120 G225 I226 H232 H233 V437	L96-L229 HydrophobicContact CD1-CD2 4.41Å; L101-L229 HydrophobicContact CD1-CD2 4.25Å; L101-L229 HydrophobicContact CD2-CD2 4.4Å; Y119-L229 HydrophobicContact CE1-CD1 4.29Å; Y119-L229 HydrophobicContact CE1-CD2 4.17Å; L120-L229 HydrophobicContact CD1-CB 3.78Å; G225-L229 WeakPolarHBondContact O-CG 3.49Å; G225-L229 PolarHBondContact O-N 2.85Å; I226-L229 PolarHBondContact O-N 2.94Å; L229-H232 PolarHBondContact O-N 2.88Å; L229-H233 PolarHBondContact O-N 3.47Å; L229-H233 VanDerWaalsContact O-N 3.07Å; L229-V437 HydrophobicContact CG-CG1 4.43Å
230	A	92.4	Very high	90.7	Very high	2 Å²	2	26.9 Å²	26.9	2%	0.017	14%	0.139	C	C	.	.	H	α-helix	trans	-61.6	-49.8	178.8	0	0	0	0	0	112	V181 L185 I226 H232 H233 L234	V181-A230 HydrophobicContact CG1-CB 3.59Å; L185-A230 HydrophobicContact CD1-CB 4.1Å; L185-A230 HydrophobicContact CD2-CB 4.04Å; L185-A230 HydrophobicContact CG-CB 4.27Å; I226-A230 VanDerWaalsContact O-CB 3.3Å; I226-A230 WeakPolarHBondContact O-CB 3.36Å; I226-A230 PolarHBondContact O-N 2.99Å; A230-H232 VanDerWaalsContact C-N 3.31Å; A230-H232 PolarHBondContact O-N 3.48Å; A230-H233 PolarHBondContact O-N 3.43Å; A230-L234 WeakPolarHBondContact O-CG 3.2Å; A230-L234 PolarHBondContact O-N 3.41Å; A230-L234 VanDerWaalsContact O-N 3.1Å
231	T	92	Very high	90.2	Very high	31 Å²	31	31.5 Å²	31.5	19%	0.19	17%	0.169	C	C	.	.	H	α-helix	trans	-68.8	-32.2	-179.6	-52.9	0	0	0	0	111.2	R227 L234 A235 M246	R227-T231 WeakPolarHBondContact O-CB 3.22Å; R227-T231 PolarHBondContact O-N 3.44Å; R227-T231 PolarHBondContact O-OG1 3.32Å; T231-L234 PolarHBondContact O-N 3.13Å; T231-A235 VanDerWaalsContact O-CB 3.25Å; T231-A235 WeakPolarHBondContact O-CB 3.31Å; T231-A235 PolarHBondContact O-N 3.04Å; T231-M246 HydrophobicContact CG2-CE 3.53Å
232	H	90.9	Very high	90	Very high	5 Å²	5	33.6 Å²	33.6	2%	0.023	18%	0.18	C	C	.	.	H	α-helix	trans	-61.4	-49.2	174.5	177.9	80.7	0	0	0	110.5	M228 L229 A230 L234 A235 L236 M246	M228-H232 WeakPolarHBondContact O-CB 3.33Å; M228-H232 PolarHBondContact O-N 3.35Å; L229-H232 PolarHBondContact O-N 2.88Å; A230-H232 VanDerWaalsContact C-N 3.31Å; A230-H232 PolarHBondContact O-N 3.48Å; H232-L234 PolarHBondContact O-N 3.08Å; H232-A235 PolarHBondContact O-N 3.33Å; H232-L236 WeakPolarHBondContact O-CG 3.48Å; H232-L236 PolarHBondContact O-N 3.49Å; H232-L236 VanDerWaalsContact O-N 3.09Å; H232-M246 HydrophobicContact CB-CE 4.46Å; H232-M246 HydrophobicContact CB-CG 3.84Å; H232-M246 HydrophobicContact CB-SD 4.23Å
233	H	91.5	Very high	89.8	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-59.4	-46	178.5	175.8	47.9	0	0	0	112.2	S116 L120 E174 L229 A230 A235 L236	S116-H233 PolarHBondContact OG-ND1 3.48Å; L120-H233 HydrophobicContact CD2-CB 3.96Å; E174-H233 IonicContact OE1-CE1 3.06Å; E174-H233 PolarHBondContact OE1-CE1 3.34Å; E174-H233 IonicContact OE1-NE2 3.34Å; E174-H233 PolarHBondContact OE1-NE2 3.45Å; L229-H233 PolarHBondContact O-N 3.47Å; L229-H233 VanDerWaalsContact O-N 3.07Å; A230-H233 PolarHBondContact O-N 3.43Å; H233-A235 VanDerWaalsContact C-N 3.33Å; H233-A235 PolarHBondContact O-N 3.38Å; H233-L236 WeakPolarHBondContact O-CB 3.31Å; H233-L236 PolarHBondContact O-N 3.18Å
234	L	92.5	Very high	89.6	Confident	25 Å²	25	35.8 Å²	35.8	13%	0.131	19%	0.189	C	C	.	.	H	α-helix	trans	-60.5	-43.1	176.5	-66.1	173.8	0	0	0	111.8	C178 V181 Q182 L185 A230 T231 H232 L236 H237	C178-L234 HydrophobicContact CB-CD2 3.85Å; V181-L234 HydrophobicContact CG1-CD1 4.16Å; V181-L234 HydrophobicContact CG1-CG 4.3Å; Q182-L234 HydrophobicContact CB-CD1 4.48Å; L185-L234 HydrophobicContact CD1-CD1 3.71Å; A230-L234 WeakPolarHBondContact O-CG 3.2Å; A230-L234 PolarHBondContact O-N 3.41Å; A230-L234 VanDerWaalsContact O-N 3.1Å; T231-L234 PolarHBondContact O-N 3.13Å; H232-L234 PolarHBondContact O-N 3.08Å; L234-L236 PolarHBondContact O-N 3.4Å; L234-H237 PolarHBondContact O-N 3.24Å
235	A	91.6	Very high	89.4	Confident	9 Å²	9	36.1 Å²	36.1	7%	0.074	19%	0.192	C	C	.	.	H	α-helix	trans	-71.6	-12.5	179.9	0	0	0	0	0	113.8	T231 H232 H233 H237 E238	T231-A235 VanDerWaalsContact O-CB 3.25Å; T231-A235 WeakPolarHBondContact O-CB 3.31Å; T231-A235 PolarHBondContact O-N 3.04Å; H232-A235 PolarHBondContact O-N 3.33Å; H233-A235 VanDerWaalsContact C-N 3.33Å; H233-A235 PolarHBondContact O-N 3.38Å; A235-H237 PolarHBondContact O-N 3.23Å; A235-E238 PolarHBondContact O-N 2.86Å
236	L	89.3	Confident	89.3	Confident	8 Å²	8	36.9 Å²	36.9	4%	0.042	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-24.8	173.5	-72.4	173.7	0	0	0	112.2	V113 H232 H233 L234 E238	V113-L236 HydrophobicContact CG2-CB 4.46Å; H232-L236 WeakPolarHBondContact O-CG 3.48Å; H232-L236 PolarHBondContact O-N 3.49Å; H232-L236 VanDerWaalsContact O-N 3.09Å; H233-L236 WeakPolarHBondContact O-CB 3.31Å; H233-L236 PolarHBondContact O-N 3.18Å; L234-L236 PolarHBondContact O-N 3.4Å; L236-E238 VanDerWaalsContact C-N 3.25Å; L236-E238 PolarHBondContact O-N 2.75Å
237	H	87.7	Confident	89.2	Confident	90 Å²	90	35.7 Å²	35.7	42%	0.417	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-15	175.2	-69.3	-83.6	0	0	0	113.3	V113 E174 C178 L234 A235	V113-H237 WeakPolarHBondContact CG1-NE2 3.37Å; E174-H237 IonicContact OE1-CD2 3.97Å; E174-H237 IonicContact OE1-CE1 3.28Å; E174-H237 PolarHBondContact OE1-CE1 3.11Å; E174-H237 VanDerWaalsContact OE1-CE1 3.28Å; E174-H237 IonicContact OE1-NE2 2.72Å; E174-H237 PolarHBondContact OE1-NE2 2.87Å; E174-H237 IonicContact OE2-CE1 3.26Å; E174-H237 PolarHBondContact OE2-CE1 3.47Å; E174-H237 VanDerWaalsContact OE2-CE1 3.26Å; E174-H237 IonicContact OE2-NE2 3.55Å; C178-H237 PolarHBondContact SG-NE2 3.03Å; C178-H237 VanDerWaalsContact SG-NE2 3.38Å; L234-H237 PolarHBondContact O-N 3.24Å; A235-H237 PolarHBondContact O-N 3.23Å
238	E	87.2	Confident	89.1	Confident	63 Å²	63	34.7 Å²	34.7	29%	0.294	19%	0.188	S	C	.	.	S	Bend	trans	-83.4	132.5	179.4	-70.6	169.8	-130.4	0	0	111.6	L5 K106 A235 L236 N240	L5-E238 HydrophobicContact CD1-CG 4.13Å; L5-E238 WeakPolarHBondContact CD1-OE1 3.47Å; L5-E238 WeakPolarHBondContact CD1-OE2 3.19Å; L5-E238 WeakPolarHBondContact CD2-OE1 3.48Å; L5-E238 WeakPolarHBondContact CG-OE1 3.4Å; K106-E238 PolarHBondContact NZ-O 3.38Å; A235-E238 PolarHBondContact O-N 2.86Å; L236-E238 VanDerWaalsContact C-N 3.25Å; L236-E238 PolarHBondContact O-N 2.75Å; E238-N240 PolarHBondContact O-N 3.34Å
239	D	83.4	Confident	89	Confident	148 Å²	148	41 Å²	41	79%	0.791	21%	0.211	S	C	*	.			trans	-91.7	80.8	173	-155.2	22.9	0	0	0	111.2	K106	K106-D239 IonicContact NZ-OD1 2.87Å; K106-D239 PolarHBondContact NZ-OD1 3.43Å
240	N	85.3	Confident	89.1	Confident	56 Å²	56	46.3 Å²	46.3	30%	0.299	23%	0.231	S	C	.	.			trans	-116.7	118.1	173.9	-174	-23.6	0	0	0	110.1	E238 D242 F243	E238-N240 PolarHBondContact O-N 3.34Å; N240-D242 PolarHBondContact O-N 3.21Å; N240-D242 PolarHBondContact OD1-N 2.84Å; N240-D242 VanDerWaalsContact OD1-N 3.1Å; N240-F243 HydrophobicContact CB-CB 4.13Å; N240-F243 VanDerWaalsContact ND2-CD2 3.3Å; N240-F243 WeakPolarHBondContact ND2-CD2 3.25Å; N240-F243 PolarHBondContact O-N 2.53Å
241	P	84.2	Confident	89.2	Confident	97 Å²	97	46.6 Å²	46.6	63%	0.63	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-23.3	-174.6	27.2	-35.6	0	0	0	113.7	F243	P241-F243 VanDerWaalsContact C-N 3.33Å
242	D	88.2	Confident	89.5	Confident	59 Å²	59	45.8 Å²	45.8	32%	0.316	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-6	-179.9	-72.4	-14.6	0	0	0	112.8	N240 R249 R250	N240-D242 PolarHBondContact O-N 3.21Å; N240-D242 PolarHBondContact OD1-N 2.84Å; N240-D242 VanDerWaalsContact OD1-N 3.1Å; D242-R249 PolarHBondContact O-N 2.89Å; D242-R250 IonicContact OD1-CZ 3.41Å; D242-R250 IonicContact OD1-NH1 3.74Å; D242-R250 IonicContact OD1-NH2 2.62Å; D242-R250 PolarHBondContact OD1-NH2 3.36Å; D242-R250 IonicContact OD2-NH2 3.9Å
243	F	89.4	Confident	89.8	Confident	65 Å²	65	45.6 Å²	45.6	29%	0.285	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	146.6	-174.3	-75.6	-101	0	0	0	112.4	N240 P241 I247 C248 P292	N240-F243 HydrophobicContact CB-CB 4.13Å; N240-F243 VanDerWaalsContact ND2-CD2 3.3Å; N240-F243 WeakPolarHBondContact ND2-CD2 3.25Å; N240-F243 PolarHBondContact O-N 2.53Å; P241-F243 VanDerWaalsContact C-N 3.33Å; F243-I247 CarbonylContact C-O 3.59Å; F243-I247 VanDerWaalsContact CA-O 3.28Å; F243-I247 WeakPolarHBondContact CA-O 3.33Å; F243-C248 HydrophobicContact CD1-CB 4Å; F243-C248 HydrophobicContact CE1-CB 3.52Å; F243-C248 HydrophobicContact CE2-CB 4.37Å; F243-C248 HydrophobicContact CZ-CB 3.73Å; F243-P292 HydrophobicContact CE1-CG 4.05Å
244	V	87.4	Confident	90.1	Very high	23 Å²	23	49 Å²	49	14%	0.139	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	102.5	166.7	-179.5	0	0	0	0	106.7	M246 I247 R249	V244-M246 PolarHBondContact O-N 2.97Å; V244-I247 PolarHBondContact N-O 2.84Å; V244-I247 PolarHBondContact O-N 2.82Å; V244-R249 HydrophobicContact CG2-CG 4.3Å
245	G	87.7	Confident	90.4	Very high	7 Å²	7	54 Å²	54	7%	0.072	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.3	-126	-162.1	0	0	0	0	0	109.5
246	M	88.4	Confident	90.6	Very high	17 Å²	17	54.3 Å²	54.3	8%	0.084	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-4	175.3	67.3	167.4	33.8	0	0	115.9	M228 T231 H232 V244 C248 I291 P292 L293	M228-M246 HydrophobicContact CB-SD 4.14Å; M228-M246 HydrophobicContact CG-SD 4.3Å; M228-M246 WeakPolarHBondContact O-CE 3.39Å; T231-M246 HydrophobicContact CG2-CE 3.53Å; H232-M246 HydrophobicContact CB-CE 4.46Å; H232-M246 HydrophobicContact CB-CG 3.84Å; H232-M246 HydrophobicContact CB-SD 4.23Å; V244-M246 PolarHBondContact O-N 2.97Å; M246-C248 PolarHBondContact O-N 2.92Å; M246-I291 HydrophobicContact CG-CD1 4.32Å; M246-I291 HydrophobicContact CG-CG2 4.15Å; M246-I291 HydrophobicContact SD-CD1 4.06Å; M246-I291 HydrophobicContact SD-CG2 3.62Å; M246-P292 VanDerWaalsContact O-CD 3.29Å; M246-P292 WeakPolarHBondContact O-CD 3.39Å; M246-L293 HydrophobicContact CE-CD2 4.02Å
247	I	89.7	Confident	91.1	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	118.2	-175.9	-52.3	169.6	0	0	0	108.6	L101 L102 F243 V244 I291 I428	L101-I247 HydrophobicContact CB-CD1 4.17Å; L102-I247 HydrophobicContact CB-CD1 3.87Å; L102-I247 HydrophobicContact CD1-CB 4.32Å; L102-I247 HydrophobicContact CD1-CD1 4.1Å; L102-I247 HydrophobicContact CD1-CG2 3.6Å; F243-I247 CarbonylContact C-O 3.59Å; F243-I247 VanDerWaalsContact CA-O 3.28Å; F243-I247 WeakPolarHBondContact CA-O 3.33Å; V244-I247 PolarHBondContact N-O 2.84Å; V244-I247 PolarHBondContact O-N 2.82Å; I247-I291 HydrophobicContact CB-CG1 4.44Å; I247-I291 HydrophobicContact CG1-CD1 4.05Å; I247-I291 HydrophobicContact CG1-CG1 3.85Å; I247-I291 HydrophobicContact CG2-CG1 4.46Å; I247-I428 HydrophobicContact CG2-CD1 3.7Å
248	C	91.2	Very high	91.6	Very high	13 Å²	13	53.2 Å²	53.2	9%	0.088	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	124.3	174.5	-173.5	0	0	0	0	109.1	F243 M246 R250 L251 P289 F290 P292	F243-C248 HydrophobicContact CD1-CB 4Å; F243-C248 HydrophobicContact CE1-CB 3.52Å; F243-C248 HydrophobicContact CE2-CB 4.37Å; F243-C248 HydrophobicContact CZ-CB 3.73Å; M246-C248 PolarHBondContact O-N 2.92Å; C248-R250 VanDerWaalsContact C-N 3.3Å; C248-R250 PolarHBondContact O-N 2.99Å; C248-L251 HydrophobicContact CB-CB 4.07Å; C248-L251 HydrophobicContact CB-CD1 4.43Å; C248-L251 PolarHBondContact SG-N 3.44Å; C248-P289 CarbonylContact O-C 3.55Å; C248-P289 VanDerWaalsContact O-CA 3.23Å; C248-P289 WeakPolarHBondContact O-CA 3.47Å; C248-F290 WeakPolarHBondContact CB-O 3.24Å; C248-F290 PolarHBondContact N-O 3.23Å; C248-F290 PolarHBondContact O-N 3.46Å; C248-P292 HydrophobicContact CB-CG 4.27Å
249	R	89	Confident	92.1	Very high	136 Å²	136	54 Å²	54	51%	0.513	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	-26.2	-178.4	-61	176.7	71.4	-179	5.4	113	D242 V244	D242-R249 PolarHBondContact O-N 2.89Å; V244-R249 HydrophobicContact CG2-CG 4.3Å
250	R	92.4	Very high	92.8	Very high	119 Å²	119	47.2 Å²	47.2	45%	0.449	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	54.4	-174.5	-59.5	-167.8	-60.8	-82.5	-2.9	111.1	D242 C248 S252 R287	D242-R250 IonicContact OD1-CZ 3.41Å; D242-R250 IonicContact OD1-NH1 3.74Å; D242-R250 IonicContact OD1-NH2 2.62Å; D242-R250 PolarHBondContact OD1-NH2 3.36Å; D242-R250 IonicContact OD2-NH2 3.9Å; C248-R250 VanDerWaalsContact C-N 3.3Å; C248-R250 PolarHBondContact O-N 2.99Å; R250-S252 PolarHBondContact O-N 2.94Å; R250-R287 PolarHBondContact O-NE 2.88Å; R250-R287 PolarHBondContact O-NH2 2.95Å
251	L	95.3	Very high	93.4	Very high	8 Å²	8	45.1 Å²	45.1	4%	0.042	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	132.4	178	-175.9	133.3	0	0	0	109.6	C248 P253 I256 R287 F288 F290 P292 L295	C248-L251 HydrophobicContact CB-CB 4.07Å; C248-L251 HydrophobicContact CB-CD1 4.43Å; C248-L251 PolarHBondContact SG-N 3.44Å; L251-P253 HydrophobicContact CD2-CG 4.22Å; L251-I256 HydrophobicContact CD2-CG2 4.45Å; L251-R287 VanDerWaalsContact O-CA 3.28Å; L251-R287 WeakPolarHBondContact O-CA 3.2Å; L251-F288 WeakPolarHBondContact CB-O 3.32Å; L251-F288 HydrophobicContact CD2-CE2 4.32Å; L251-F288 PolarHBondContact N-O 3.29Å; L251-F288 PolarHBondContact O-N 3.14Å; L251-F290 HydrophobicContact CB-CB 4.06Å; L251-F290 HydrophobicContact CD1-CB 4.17Å; L251-F290 HydrophobicContact CD2-CB 4.23Å; L251-F290 HydrophobicContact CG-CB 4.36Å; L251-P292 HydrophobicContact CD1-CB 4.17Å; L251-P292 HydrophobicContact CD1-CG 3.88Å; L251-L295 HydrophobicContact CD2-CD1 4.36Å
252	S	97.1	Very high	94	Very high	13 Å²	13	44.6 Å²	44.6	9%	0.091	20%	0.204	C	C	.	.			trans	-105.4	113.2	172.1	175.5	0	0	0	0	108.7	R250 K254 K255 I256	R250-S252 PolarHBondContact O-N 2.94Å; S252-K254 PolarHBondContact O-N 3.32Å; S252-K255 PolarHBondContact O-N 3.28Å; S252-K255 VanDerWaalsContact O-N 3.16Å; S252-I256 PolarHBondContact O-N 2.93Å
253	P	97.2	Very high	94.3	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.006	20%	0.198	C	C	.	.	H	α-helix	trans	-56.7	-39.2	178.3	-26.5	35.6	0	0	0	112.1	L251 K255 I256 I257 A286 F288 I328	L251-P253 HydrophobicContact CD2-CG 4.22Å; P253-K255 PolarHBondContact O-N 2.94Å; P253-I256 WeakPolarHBondContact O-CG2 3.29Å; P253-I256 PolarHBondContact O-N 3.37Å; P253-I257 HydrophobicContact CB-CD1 4.48Å; P253-I257 WeakPolarHBondContact O-CB 3.42Å; P253-I257 VanDerWaalsContact O-CD1 3.28Å; P253-I257 WeakPolarHBondContact O-CD1 3.38Å; P253-I257 WeakPolarHBondContact O-CG1 3.35Å; P253-I257 PolarHBondContact O-N 3.34Å; P253-A286 WeakPolarHBondContact CD-O 3.43Å; P253-F288 HydrophobicContact CG-CE1 3.48Å; P253-F288 VanDerWaalsContact CG-CE1 3.48Å; P253-F288 HydrophobicContact CG-CE2 4.49Å; P253-F288 HydrophobicContact CG-CZ 3.43Å; P253-F288 VanDerWaalsContact CG-CZ 3.43Å; P253-I328 HydrophobicContact CB-CD1 4.15Å; P253-I328 HydrophobicContact CB-CG2 4.12Å; P253-I328 HydrophobicContact CG-CG2 4.44Å
254	K	98.1	Very high	94.6	Very high	72 Å²	72	40.7 Å²	40.7	31%	0.313	18%	0.184	S	C	.	.	H	α-helix	trans	-55.9	-51.3	175.7	173.4	170.2	172.3	178.1	0	112	S252 I256 I257 E258 I280 V284 I328	S252-K254 PolarHBondContact O-N 3.32Å; K254-I256 PolarHBondContact O-N 3.03Å; K254-I257 PolarHBondContact O-N 2.96Å; K254-E258 WeakPolarHBondContact CE-OE1 3.42Å; K254-E258 HydrophobicContact CG-CG 4.31Å; K254-E258 IonicContact NZ-OE1 2.8Å; K254-E258 WeakPolarHBondContact O-CG 3.4Å; K254-E258 PolarHBondContact O-N 3.09Å; K254-I280 HydrophobicContact CG-CD1 4.41Å; K254-V284 HydrophobicContact CD-CB 3.88Å; K254-V284 HydrophobicContact CD-CG1 4.27Å; K254-I328 HydrophobicContact CB-CD1 4.12Å
255	K	97.9	Very high	95	Very high	131 Å²	131	43 Å²	43	57%	0.57	19%	0.191	S	C	*	.	H	α-helix	trans	-62.8	-40	-177.3	-70.9	-168.5	172.8	-164.6	0	113.1	S252 P253 K259	S252-K255 PolarHBondContact O-N 3.28Å; S252-K255 VanDerWaalsContact O-N 3.16Å; P253-K255 PolarHBondContact O-N 2.94Å; K255-K259 PolarHBondContact O-N 3.5Å
256	I	97.6	Very high	95.4	Very high	15 Å²	15	50.4 Å²	50.4	8%	0.077	22%	0.216	C	C	.	.	H	α-helix	trans	-71.7	-36.2	178	-171.1	164.3	0	0	0	111.5	L251 S252 P253 K254 W260 P292 L295 L299	L251-I256 HydrophobicContact CD2-CG2 4.45Å; S252-I256 PolarHBondContact O-N 2.93Å; P253-I256 WeakPolarHBondContact O-CG2 3.29Å; P253-I256 PolarHBondContact O-N 3.37Å; K254-I256 PolarHBondContact O-N 3.03Å; I256-W260 PolarHBondContact O-N 2.71Å; I256-P292 HydrophobicContact CD1-CB 3.99Å; I256-L295 HydrophobicContact CD1-CB 3.61Å; I256-L295 HydrophobicContact CD1-CD1 4Å; I256-L295 HydrophobicContact CD1-CG 4.46Å; I256-L295 HydrophobicContact CG1-CB 4.44Å; I256-L295 HydrophobicContact CG2-CD1 4.17Å; I256-L299 HydrophobicContact CG1-CD1 4.2Å; I256-L299 HydrophobicContact CG2-CD1 4.33Å
257	I	98.4	Very high	95.5	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-62.8	-48.4	172.4	-68.4	160.6	0	0	0	109.8	P253 K254 K259 W260 V261 I280 L299 V326 I328 I337	P253-I257 HydrophobicContact CB-CD1 4.48Å; P253-I257 WeakPolarHBondContact O-CB 3.42Å; P253-I257 VanDerWaalsContact O-CD1 3.28Å; P253-I257 WeakPolarHBondContact O-CD1 3.38Å; P253-I257 WeakPolarHBondContact O-CG1 3.35Å; P253-I257 PolarHBondContact O-N 3.34Å; K254-I257 PolarHBondContact O-N 2.96Å; I257-K259 VanDerWaalsContact C-N 3.35Å; I257-K259 PolarHBondContact O-N 3.15Å; I257-W260 CarbonylContact O-C 3.56Å; I257-W260 PolarHBondContact O-N 2.98Å; I257-W260 VanDerWaalsContact O-N 3.08Å; I257-V261 HydrophobicContact CG2-CG2 3.99Å; I257-V261 WeakPolarHBondContact O-CB 3.12Å; I257-V261 VanDerWaalsContact O-CG2 3.27Å; I257-V261 WeakPolarHBondContact O-CG2 3.41Å; I257-V261 PolarHBondContact O-N 2.8Å; I257-I280 HydrophobicContact CB-CD1 4.27Å; I257-I280 HydrophobicContact CG2-CD1 3.69Å; I257-I280 HydrophobicContact CG2-CG1 4.27Å; I257-L299 HydrophobicContact CG1-CD1 4.03Å; I257-L299 HydrophobicContact CG1-CD2 4.39Å; I257-V326 HydrophobicContact CD1-CG1 3.95Å; I257-V326 HydrophobicContact CG2-CG1 4.12Å; I257-V326 HydrophobicContact CG2-CG2 4.45Å; I257-I328 HydrophobicContact CD1-CD1 3.84Å; I257-I328 HydrophobicContact CD1-CG1 3.81Å; I257-I337 HydrophobicContact CD1-CD1 4.1Å; I257-I337 HydrophobicContact CD1-CG1 4.34Å; I257-I337 HydrophobicContact CD1-CG2 4.01Å; I257-I337 HydrophobicContact CG1-CD1 4.45Å
258	E	98.3	Very high	95.6	Very high	74 Å²	74	51.6 Å²	51.6	35%	0.346	22%	0.223	S	C	.	.	H	α-helix	trans	-55.9	-46.5	177.8	-73.9	170.9	155.9	0	0	112	K254 W260 V261 D262 I280	K254-E258 WeakPolarHBondContact CE-OE1 3.42Å; K254-E258 HydrophobicContact CG-CG 4.31Å; K254-E258 IonicContact NZ-OE1 2.8Å; K254-E258 WeakPolarHBondContact O-CG 3.4Å; K254-E258 PolarHBondContact O-N 3.09Å; E258-W260 VanDerWaalsContact C-N 3.28Å; E258-W260 PolarHBondContact O-N 3.42Å; E258-V261 WeakPolarHBondContact O-CB 3.35Å; E258-V261 PolarHBondContact O-N 3.36Å; E258-D262 PolarHBondContact O-N 3.08Å; E258-I280 HydrophobicContact CG-CD1 3.61Å
259	K	97.8	Very high	95.7	Very high	79 Å²	79	54.2 Å²	54.2	34%	0.343	23%	0.234	S	C	.	.	H	α-helix	trans	-51.4	-46.8	174	173.6	-166.4	168.7	-164.4	0	112	K255 I257 F263 D296	K255-K259 PolarHBondContact O-N 3.5Å; I257-K259 VanDerWaalsContact C-N 3.35Å; I257-K259 PolarHBondContact O-N 3.15Å; K259-F263 PolarHBondContact O-N 3.37Å; K259-D296 IonicContact NZ-OD1 2.77Å; K259-D296 PolarHBondContact NZ-OD1 3.26Å; K259-D296 IonicContact NZ-OD2 3.8Å
260	W	98.1	Very high	95.8	Very high	6 Å²	6	52.9 Å²	52.9	2%	0.023	23%	0.233	C	C	.	.	H	α-helix	trans	-81.8	-25.2	-177.3	-69.3	117.1	0	0	0	113.7	L13 I256 I257 E258 F263 A264 D296 L299 P300 L303	L13-W260 HydrophobicContact CD1-CH2 3.26Å; L13-W260 HydrophobicContact CD1-CZ2 4.34Å; L13-W260 HydrophobicContact CD1-CZ3 3.37Å; I256-W260 PolarHBondContact O-N 2.71Å; I257-W260 CarbonylContact O-C 3.56Å; I257-W260 PolarHBondContact O-N 2.98Å; I257-W260 VanDerWaalsContact O-N 3.08Å; E258-W260 VanDerWaalsContact C-N 3.28Å; E258-W260 PolarHBondContact O-N 3.42Å; W260-F263 HydrophobicContact CE3-CB 3.89Å; W260-F263 AromaticContact CE3-CD1 3.79Å; W260-F263 HydrophobicContact CE3-CD1 3.79Å; W260-F263 AromaticContact CE3-CG 3.92Å; W260-F263 HydrophobicContact CE3-CG 3.92Å; W260-F263 HydrophobicContact CZ3-CB 4.28Å; W260-F263 AromaticContact CZ3-CD1 3.93Å; W260-F263 HydrophobicContact CZ3-CD1 3.93Å; W260-F263 HydrophobicContact CZ3-CD2 4.42Å; W260-F263 HydrophobicContact CZ3-CE1 4.35Å; W260-F263 AromaticContact CZ3-CG 3.95Å; W260-F263 HydrophobicContact CZ3-CG 3.95Å; W260-F263 PolarHBondContact O-N 2.66Å; W260-A264 WeakPolarHBondContact O-CB 3.2Å; W260-A264 PolarHBondContact O-N 3Å; W260-D296 HydrophobicContact CZ2-CB 3.56Å; W260-D296 WeakPolarHBondContact CZ2-OD1 3.26Å; W260-D296 PolarHBondContact NE1-OD1 3.23Å; W260-L299 HydrophobicContact CB-CB 4.09Å; W260-L299 HydrophobicContact CG-CB 4.12Å; W260-P300 HydrophobicContact CD2-CB 4.29Å; W260-P300 HydrophobicContact CD2-CG 4.09Å; W260-P300 HydrophobicContact CE3-CB 3.77Å; W260-P300 HydrophobicContact CE3-CG 3.86Å; W260-P300 HydrophobicContact CZ3-CB 4.3Å; W260-P300 HydrophobicContact CZ3-CG 4.19Å; W260-L303 HydrophobicContact CB-CD1 3.81Å
261	V	98.1	Very high	95.5	Very high	11 Å²	11	48.1 Å²	48.1	7%	0.067	22%	0.216	C	C	.	.	H	α-helix	trans	-61.2	-50.5	167.6	164.5	0	0	0	0	109.6	I257 E258 F263 A264 R265 V278 L303	I257-V261 HydrophobicContact CG2-CG2 3.99Å; I257-V261 WeakPolarHBondContact O-CB 3.12Å; I257-V261 VanDerWaalsContact O-CG2 3.27Å; I257-V261 WeakPolarHBondContact O-CG2 3.41Å; I257-V261 PolarHBondContact O-N 2.8Å; E258-V261 WeakPolarHBondContact O-CB 3.35Å; E258-V261 PolarHBondContact O-N 3.36Å; V261-F263 PolarHBondContact O-N 3.41Å; V261-A264 PolarHBondContact O-N 3.38Å; V261-R265 HydrophobicContact CG1-CG 4.12Å; V261-R265 WeakPolarHBondContact O-CB 3.27Å; V261-R265 VanDerWaalsContact O-CG 3.27Å; V261-R265 WeakPolarHBondContact O-CG 3.39Å; V261-R265 PolarHBondContact O-N 3.2Å; V261-V278 HydrophobicContact CB-CG2 4.37Å; V261-V278 HydrophobicContact CG1-CB 3.73Å; V261-V278 HydrophobicContact CG1-CG1 4.5Å; V261-V278 HydrophobicContact CG1-CG2 3.56Å; V261-V278 HydrophobicContact CG2-CB 3.9Å; V261-V278 HydrophobicContact CG2-CG1 3.73Å; V261-V278 HydrophobicContact CG2-CG2 3.93Å; V261-L303 HydrophobicContact CG2-CD1 3.96Å; V261-L303 HydrophobicContact CG2-CD2 4.09Å
262	D	97.2	Very high	95.1	Very high	87 Å²	87	48.7 Å²	48.7	47%	0.465	22%	0.218	S	C	.	.	H	α-helix	trans	-62.3	-34.1	179.8	-68.1	-23	0	0	0	112.3	E258 R266	E258-D262 PolarHBondContact O-N 3.08Å; D262-R266 VanDerWaalsContact O-CG 3.31Å; D262-R266 WeakPolarHBondContact O-CG 3.44Å; D262-R266 PolarHBondContact O-N 2.81Å; D262-R266 PolarHBondContact O-NE 2.89Å
263	F	95	Very high	94.8	Very high	41 Å²	41	51.4 Å²	51.4	18%	0.18	25%	0.248	C	C	.	.	H	α-helix	trans	-66.6	-53.1	172.5	175.1	-99.6	0	0	0	112.1	L13 K259 W260 V261 R265 R266 L267 P300	L13-F263 HydrophobicContact CB-CZ 4.18Å; K259-F263 PolarHBondContact O-N 3.37Å; W260-F263 HydrophobicContact CE3-CB 3.89Å; W260-F263 AromaticContact CE3-CD1 3.79Å; W260-F263 HydrophobicContact CE3-CD1 3.79Å; W260-F263 AromaticContact CE3-CG 3.92Å; W260-F263 HydrophobicContact CE3-CG 3.92Å; W260-F263 HydrophobicContact CZ3-CB 4.28Å; W260-F263 AromaticContact CZ3-CD1 3.93Å; W260-F263 HydrophobicContact CZ3-CD1 3.93Å; W260-F263 HydrophobicContact CZ3-CD2 4.42Å; W260-F263 HydrophobicContact CZ3-CE1 4.35Å; W260-F263 AromaticContact CZ3-CG 3.95Å; W260-F263 HydrophobicContact CZ3-CG 3.95Å; W260-F263 PolarHBondContact O-N 2.66Å; V261-F263 PolarHBondContact O-N 3.41Å; F263-R265 VanDerWaalsContact C-N 3.35Å; F263-R265 PolarHBondContact O-N 3.11Å; F263-R266 PolarHBondContact O-N 2.79Å; F263-L267 HydrophobicContact CD1-CD1 4.19Å; F263-L267 HydrophobicContact CE1-CD1 3.54Å; F263-L267 HydrophobicContact CE2-CD1 4.32Å; F263-L267 HydrophobicContact CZ-CD1 3.62Å; F263-L267 HydrophobicContact CZ-CG 4.43Å; F263-L267 PolarHBondContact O-N 3.27Å; F263-P300 HydrophobicContact CD1-CB 4.07Å; F263-P300 HydrophobicContact CE1-CB 4.13Å
264	A	95.8	Very high	94.6	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-65.3	-37.4	-177.6	0	0	0	0	0	112.3	W260 V261 L267 C268 L303 K304 M307	W260-A264 WeakPolarHBondContact O-CB 3.2Å; W260-A264 PolarHBondContact O-N 3Å; V261-A264 PolarHBondContact O-N 3.38Å; A264-L267 PolarHBondContact O-N 2.95Å; A264-C268 WeakPolarHBondContact O-CB 3.42Å; A264-C268 PolarHBondContact O-N 3.35Å; A264-L303 HydrophobicContact CB-CB 3.82Å; A264-K304 HydrophobicContact CB-CG 4.44Å; A264-M307 VanDerWaalsContact C-SD 3.54Å; A264-M307 HydrophobicContact CB-CE 3.92Å; A264-M307 HydrophobicContact CB-SD 3.59Å; A264-M307 VanDerWaalsContact CB-SD 3.59Å
265	R	95.7	Very high	94.5	Very high	72 Å²	72	50.4 Å²	50.4	27%	0.272	25%	0.246	S	C	.	.	H	α-helix	trans	-62.1	-44.2	175.6	-74.9	-171.3	66.2	-153.7	-13.3	112.2	V261 F263 L267 C268 E269 S275 M307	V261-R265 HydrophobicContact CG1-CG 4.12Å; V261-R265 WeakPolarHBondContact O-CB 3.27Å; V261-R265 VanDerWaalsContact O-CG 3.27Å; V261-R265 WeakPolarHBondContact O-CG 3.39Å; V261-R265 PolarHBondContact O-N 3.2Å; F263-R265 VanDerWaalsContact C-N 3.35Å; F263-R265 PolarHBondContact O-N 3.11Å; R265-L267 VanDerWaalsContact C-N 3.32Å; R265-L267 PolarHBondContact O-N 3.12Å; R265-C268 PolarHBondContact O-N 2.98Å; R265-C268 VanDerWaalsContact O-N 3.17Å; R265-E269 IonicContact CZ-OE1 3.61Å; R265-E269 IonicContact NE-OE1 3.46Å; R265-E269 IonicContact NH2-OE1 3.51Å; R265-E269 PolarHBondContact NH2-OE1 3.07Å; R265-E269 WeakPolarHBondContact O-CB 3.38Å; R265-E269 WeakPolarHBondContact O-CG 3.32Å; R265-E269 PolarHBondContact O-N 3.48Å; R265-S275 PolarHBondContact NE-OG 2.79Å; R265-M307 HydrophobicContact CG-CE 3.46Å; R265-M307 VanDerWaalsContact CG-CE 3.46Å; R265-M307 HydrophobicContact CG-SD 4.1Å
266	R	94.7	Very high	94.4	Very high	162 Å²	162	44.2 Å²	44.2	61%	0.611	22%	0.219	S	C	*	.	H	α-helix	trans	-59.8	-41.5	176.2	-78.5	-178.7	-71.3	176.5	-1.3	112.4	D262 F263 H270	D262-R266 VanDerWaalsContact O-CG 3.31Å; D262-R266 WeakPolarHBondContact O-CG 3.44Å; D262-R266 PolarHBondContact O-N 2.81Å; D262-R266 PolarHBondContact O-NE 2.89Å; F263-R266 PolarHBondContact O-N 2.79Å; R266-H270 WeakPolarHBondContact O-CB 3.48Å; R266-H270 PolarHBondContact O-N 2.7Å; R266-H270 VanDerWaalsContact O-N 3.08Å
267	L	91.4	Very high	94.4	Very high	42 Å²	42	52.1 Å²	52.1	22%	0.22	25%	0.248	C	C	.	.	H	α-helix	trans	-66.2	-41.2	175.4	-66.5	177.9	0	0	0	111.8	F263 A264 R265 H270 Q271 K304	F263-L267 HydrophobicContact CD1-CD1 4.19Å; F263-L267 HydrophobicContact CE1-CD1 3.54Å; F263-L267 HydrophobicContact CE2-CD1 4.32Å; F263-L267 HydrophobicContact CZ-CD1 3.62Å; F263-L267 HydrophobicContact CZ-CG 4.43Å; F263-L267 PolarHBondContact O-N 3.27Å; A264-L267 PolarHBondContact O-N 2.95Å; R265-L267 VanDerWaalsContact C-N 3.32Å; R265-L267 PolarHBondContact O-N 3.12Å; L267-H270 PolarHBondContact O-N 2.99Å; L267-Q271 WeakPolarHBondContact O-CB 3.44Å; L267-Q271 PolarHBondContact O-N 3Å; L267-Q271 VanDerWaalsContact O-N 3.09Å; L267-K304 HydrophobicContact CD1-CD 4.1Å
268	C	92.5	Very high	94.4	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-66.2	-46.2	178.9	-174.3	0	0	0	0	112.4	A264 R265 H270 Q271 Y272 N274 M307 M311 M388	A264-C268 WeakPolarHBondContact O-CB 3.42Å; A264-C268 PolarHBondContact O-N 3.35Å; R265-C268 PolarHBondContact O-N 2.98Å; R265-C268 VanDerWaalsContact O-N 3.17Å; C268-H270 VanDerWaalsContact C-N 3.32Å; C268-H270 PolarHBondContact O-N 3.08Å; C268-Q271 PolarHBondContact O-N 3.44Å; C268-Q271 VanDerWaalsContact O-N 3.15Å; C268-Y272 PolarHBondContact O-N 2.98Å; C268-N274 CarbonylContact C-O 3.59Å; C268-N274 PolarHBondContact SG-O 2.91Å; C268-M307 HydrophobicContact CB-CB 4.4Å; C268-M307 HydrophobicContact CB-SD 4.21Å; C268-M311 VanDerWaalsContact SG-CG 3.5Å; C268-M388 VanDerWaalsContact CA-SD 3.53Å; C268-M388 HydrophobicContact CB-CE 3.56Å; C268-M388 HydrophobicContact CB-SD 3.82Å
269	E	93.1	Very high	94.4	Very high	69 Å²	69	56.8 Å²	56.8	32%	0.322	27%	0.266	S	S	.	.	H	α-helix	trans	-61.4	-39.8	175.5	-77.2	162.8	-166.1	0	0	111.6	R265 Q271 G273 S275	R265-E269 IonicContact CZ-OE1 3.61Å; R265-E269 IonicContact NE-OE1 3.46Å; R265-E269 IonicContact NH2-OE1 3.51Å; R265-E269 PolarHBondContact NH2-OE1 3.07Å; R265-E269 WeakPolarHBondContact O-CB 3.38Å; R265-E269 WeakPolarHBondContact O-CG 3.32Å; R265-E269 PolarHBondContact O-N 3.48Å; E269-Q271 VanDerWaalsContact C-N 3.34Å; E269-Q271 PolarHBondContact O-N 2.85Å; E269-G273 WeakPolarHBondContact O-CA 3.04Å; E269-G273 PolarHBondContact O-N 3.34Å; E269-S275 PolarHBondContact OE1-OG 3.3Å
270	H	90.1	Very high	94.5	Very high	107 Å²	107	54.8 Å²	54.8	50%	0.495	26%	0.259	S	S	.	.	H	α-helix	trans	-63.8	-38.9	175	-176	-83.6	0	0	0	112.4	R266 L267 C268 S385	R266-H270 WeakPolarHBondContact O-CB 3.48Å; R266-H270 PolarHBondContact O-N 2.7Å; R266-H270 VanDerWaalsContact O-N 3.08Å; L267-H270 PolarHBondContact O-N 2.99Å; C268-H270 VanDerWaalsContact C-N 3.32Å; C268-H270 PolarHBondContact O-N 3.08Å; H270-S385 VanDerWaalsContact CE1-CB 3.44Å; H270-S385 WeakPolarHBondContact CE1-CB 3.47Å; H270-S385 PolarHBondContact CE1-OG 3.27Å; H270-S385 PolarHBondContact ND1-OG 3.33Å
271	Q	86.4	Confident	94.5	Very high	20 Å²	20	57.9 Å²	57.9	9%	0.093	28%	0.275	C	S	.	.	H	α-helix	trans	-82.4	-41.3	-176	-173.9	67.5	21.5	0	0	113.4	L267 C268 E269 M388	L267-Q271 WeakPolarHBondContact O-CB 3.44Å; L267-Q271 PolarHBondContact O-N 3Å; L267-Q271 VanDerWaalsContact O-N 3.09Å; C268-Q271 PolarHBondContact O-N 3.44Å; C268-Q271 VanDerWaalsContact O-N 3.15Å; E269-Q271 VanDerWaalsContact C-N 3.34Å; E269-Q271 PolarHBondContact O-N 2.85Å; Q271-M388 HydrophobicContact CB-SD 4.46Å; Q271-M388 HydrophobicContact CG-CB 4.49Å
272	Y	87.6	Confident	94.4	Very high	20 Å²	20	59.6 Å²	59.6	8%	0.078	30%	0.296	C	S	.	.	H	α-helix	trans	-116.3	-0.2	-170.1	-60.4	-79.9	0	0	0	113.5	C268 N274 M311 E312 M371 M388	C268-Y272 PolarHBondContact O-N 2.98Å; Y272-N274 PolarHBondContact O-N 3.42Å; Y272-M311 HydrophobicContact CD1-CB 3.97Å; Y272-M311 HydrophobicContact CD2-CB 3.97Å; Y272-M311 HydrophobicContact CD2-CG 3.95Å; Y272-M311 HydrophobicContact CE1-CB 4.28Å; Y272-M311 HydrophobicContact CE2-CB 4.27Å; Y272-M311 HydrophobicContact CG-CB 3.82Å; Y272-M311 HydrophobicContact CG-CG 4.02Å; Y272-E312 HydrophobicContact CE1-CG 4.05Å; Y272-E312 PolarHBondContact OH-OE1 2.9Å; Y272-M371 HydrophobicContact CE1-SD 4.09Å; Y272-M388 HydrophobicContact CD2-SD 3.91Å; Y272-M388 HydrophobicContact CE2-CE 4.24Å; Y272-M388 HydrophobicContact CE2-SD 3.43Å; Y272-M388 WeakPolarHBondContact CE2-SD 3.33Å
273	G	89.4	Confident	94.5	Very high	70 Å²	70	60.5 Å²	60.5	72%	0.722	30%	0.297	S	S	*	.	S	Bend	trans	77.5	-12.7	-178	0	0	0	0	0	115	E269	E269-G273 WeakPolarHBondContact O-CA 3.04Å; E269-G273 PolarHBondContact O-N 3.34Å
274	N	93.4	Very high	94.6	Very high	47 Å²	47	61 Å²	61	25%	0.251	30%	0.303	S	S	.	.			trans	-148.8	168.5	175.5	-165.4	18.1	0	0	0	110.4	C268 Y272 M311 P318 Y319	C268-N274 CarbonylContact C-O 3.59Å; C268-N274 PolarHBondContact SG-O 2.91Å; Y272-N274 PolarHBondContact O-N 3.42Å; N274-M311 HydrophobicContact CB-CE 4.13Å; N274-P318 WeakPolarHBondContact CB-O 3.45Å; N274-P318 PolarHBondContact ND2-O 3.3Å; N274-Y319 WeakPolarHBondContact ND2-CA 3.45Å; N274-Y319 PolarHBondContact ND2-O 3.34Å
275	S	95.8	Very high	94.7	Very high	4 Å²	4	65.3 Å²	65.3	3%	0.028	34%	0.338	C	S	.	.			trans	-139.6	149.4	172.1	66.4	0	0	0	0	112	R265 E269	R265-S275 PolarHBondContact NE-OG 2.79Å; E269-S275 PolarHBondContact OE1-OG 3.3Å
276	P	97.1	Very high	94.7	Very high	1 Å²	1	62.5 Å²	62.5	1%	0.006	33%	0.331	C	S	.	.			trans	-66.7	142.4	173	29.8	-34.8	0	0	0	110.2	M307 T310 V321 P322 V324	P276-M307 HydrophobicContact CG-CB 4.12Å; P276-M307 HydrophobicContact CG-CG 3.78Å; P276-T310 HydrophobicContact CB-CG2 4.06Å; P276-T310 HydrophobicContact CG-CG2 4.24Å; P276-V321 HydrophobicContact CB-CG2 3.81Å; P276-P322 VanDerWaalsContact CB-O 3.3Å; P276-P322 WeakPolarHBondContact CB-O 3.35Å; P276-V324 HydrophobicContact CB-CG2 4.2Å; P276-V324 HydrophobicContact CG-CG2 3.93Å
277	R	97.1	Very high	94.7	Very high	181 Å²	181	60.9 Å²	60.9	68%	0.683	33%	0.325	S	S	*	.			trans	-69.2	152.3	171.2	-58.7	-179.4	175.8	-158	-0.9	109.1	D323 V324	R277-D323 WeakPolarHBondContact CB-OD1 3.36Å; R277-D323 CarbonylContact O-C 3.55Å; R277-D323 VanDerWaalsContact O-CA 3.27Å; R277-D323 WeakPolarHBondContact O-CA 3.5Å; R277-V324 PolarHBondContact O-N 3.19Å
278	V	98.4	Very high	94.8	Very high	28 Å²	28	59.5 Å²	59.5	17%	0.17	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	119.7	177.7	-172.5	0	0	0	0	109.9	V261 I280 M307 V324 V326	V261-V278 HydrophobicContact CB-CG2 4.37Å; V261-V278 HydrophobicContact CG1-CB 3.73Å; V261-V278 HydrophobicContact CG1-CG1 4.5Å; V261-V278 HydrophobicContact CG1-CG2 3.56Å; V261-V278 HydrophobicContact CG2-CB 3.9Å; V261-V278 HydrophobicContact CG2-CG1 3.73Å; V261-V278 HydrophobicContact CG2-CG2 3.93Å; V278-I280 HydrophobicContact CG1-CG1 4.49Å; V278-M307 HydrophobicContact CG2-CE 3.62Å; V278-V324 CarbonylContact C-O 3.52Å; V278-V324 VanDerWaalsContact CA-O 3.27Å; V278-V324 WeakPolarHBondContact CA-O 3.35Å; V278-V324 HydrophobicContact CG2-CB 4.28Å; V278-V326 HydrophobicContact CG1-CB 4.5Å; V278-V326 HydrophobicContact CG1-CG2 3.6Å
279	R	98.3	Very high	94.7	Very high	145 Å²	145	61 Å²	61	55%	0.547	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	123.9	176	-63	-167.2	-59.3	-138.9	8	110.1	D323 V324 V325 V326	R279-D323 WeakPolarHBondContact CD-OD2 3.41Å; R279-D323 HydrophobicContact CG-CB 4.21Å; R279-D323 WeakPolarHBondContact CG-OD2 3.24Å; R279-D323 IonicContact CZ-OD2 2.98Å; R279-D323 IonicContact NE-OD2 3.64Å; R279-D323 PolarHBondContact NE-OD2 3.15Å; R279-D323 IonicContact NH1-OD2 3.43Å; R279-D323 PolarHBondContact NH1-OD2 3.09Å; R279-V324 PolarHBondContact N-O 3.48Å; R279-V325 CarbonylContact O-C 3.57Å; R279-V325 WeakPolarHBondContact O-CA 3.38Å; R279-V326 PolarHBondContact O-N 2.82Å
280	I	98.6	Very high	94.6	Very high	38 Å²	38	57.7 Å²	57.7	20%	0.195	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	123.1	-179.7	-50.1	175.1	0	0	0	109.6	K254 I257 E258 V278 V284 V326 I328	K254-I280 HydrophobicContact CG-CD1 4.41Å; I257-I280 HydrophobicContact CB-CD1 4.27Å; I257-I280 HydrophobicContact CG2-CD1 3.69Å; I257-I280 HydrophobicContact CG2-CG1 4.27Å; E258-I280 HydrophobicContact CG-CD1 3.61Å; V278-I280 HydrophobicContact CG1-CG1 4.49Å; I280-V284 HydrophobicContact CG2-CG1 4.14Å; I280-V326 CarbonylContact C-O 3.49Å; I280-V326 VanDerWaalsContact CA-O 3.28Å; I280-V326 WeakPolarHBondContact CA-O 3.44Å; I280-V326 HydrophobicContact CG1-CB 4.39Å; I280-I328 HydrophobicContact CG2-CD1 3.61Å; I280-I328 HydrophobicContact CG2-CG1 4.24Å
281	N	98.1	Very high	94.7	Very high	70 Å²	70	52.8 Å²	52.8	37%	0.374	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	-179	178.7	65.6	19.4	0	0	0	112.5	V326 T327 I328	N281-V326 PolarHBondContact N-O 3.09Å; N281-V326 PolarHBondContact OD1-O 3.38Å; N281-T327 VanDerWaalsContact OD1-CA 3.25Å; N281-T327 WeakPolarHBondContact OD1-CA 3.23Å; N281-T327 VanDerWaalsContact OD1-CB 3.24Å; N281-T327 WeakPolarHBondContact OD1-CB 3.48Å; N281-T327 WeakPolarHBondContact OD1-CG2 3.48Å; N281-T327 PolarHBondContact OD1-OG1 3.1Å; N281-I328 PolarHBondContact O-N 2.94Å
282	G	97.8	Very high	95	Very high	48 Å²	48	52.9 Å²	52.9	50%	0.495	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	86.6	-141.5	-173.3	0	0	0	0	0	112.4	V284 I328	G282-V284 PolarHBondContact O-N 3.48Å; G282-I328 CarbonylContact C-O 3.48Å; G282-I328 WeakPolarHBondContact CA-O 3.45Å
283	H	98	Very high	95.3	Very high	105 Å²	105	53 Å²	53	49%	0.486	29%	0.292	S	S	.	.	S	Bend	trans	-77.7	61.3	-177.5	-57.6	113.2	0	0	0	112.8	A285 A286 I328 N330	H283-A285 PolarHBondContact O-N 2.91Å; H283-A286 HydrophobicContact CB-CB 4.13Å; H283-A286 WeakPolarHBondContact O-CB 3.3Å; H283-A286 PolarHBondContact O-N 3.44Å; H283-I328 HydrophobicContact CB-CG2 4.49Å; H283-I328 PolarHBondContact N-O 3.05Å; H283-N330 HydrophobicContact CB-CB 4.19Å; H283-N330 PolarHBondContact ND1-N 2.86Å; H283-N330 VanDerWaalsContact ND1-N 3.1Å
284	V	97	Very high	95.4	Very high	53 Å²	53	49.7 Å²	49.7	32%	0.321	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-23	-177.6	-67.5	0	0	0	0	114.4	K254 I280 G282	K254-V284 HydrophobicContact CD-CB 3.88Å; K254-V284 HydrophobicContact CD-CG1 4.27Å; I280-V284 HydrophobicContact CG2-CG1 4.14Å; G282-V284 PolarHBondContact O-N 3.48Å
285	A	97.4	Very high	95.5	Very high	89 Å²	89	47.4 Å²	47.4	74%	0.736	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-1.2	178	0	0	0	0	0	113.3	H283 R287	H283-A285 PolarHBondContact O-N 2.91Å; A285-R287 PolarHBondContact O-N 3.19Å
286	A	95.8	Very high	95.4	Very high	13 Å²	13	48.3 Å²	48.3	11%	0.107	25%	0.251	C	S	.	.			trans	-58.8	137.1	-178.7	0	0	0	0	0	111.6	P253 H283 F288 N330	P253-A286 WeakPolarHBondContact CD-O 3.43Å; H283-A286 HydrophobicContact CB-CB 4.13Å; H283-A286 WeakPolarHBondContact O-CB 3.3Å; H283-A286 PolarHBondContact O-N 3.44Å; A286-F288 HydrophobicContact CB-CD1 4.41Å; A286-F288 HydrophobicContact CB-CE1 4.24Å; A286-N330 HydrophobicContact CB-CB 4.01Å
287	R	95.6	Very high	95.2	Very high	129 Å²	129	50.9 Å²	50.9	49%	0.487	26%	0.26	S	S	.	.			trans	-139.9	130.4	172.5	-50.3	-169	80.1	99.5	4.3	109.5	R250 L251 A285	R250-R287 PolarHBondContact O-NE 2.88Å; R250-R287 PolarHBondContact O-NH2 2.95Å; L251-R287 VanDerWaalsContact O-CA 3.28Å; L251-R287 WeakPolarHBondContact O-CA 3.2Å; A285-R287 PolarHBondContact O-N 3.19Å
288	F	92.6	Very high	95.2	Very high	13 Å²	13	42.2 Å²	42.2	6%	0.057	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	161.3	179.5	46.8	-97.1	0	0	0	110.9	L251 P253 A286 F290 N330 F335 H427	L251-F288 WeakPolarHBondContact CB-O 3.32Å; L251-F288 HydrophobicContact CD2-CE2 4.32Å; L251-F288 PolarHBondContact N-O 3.29Å; L251-F288 PolarHBondContact O-N 3.14Å; P253-F288 HydrophobicContact CG-CE1 3.48Å; P253-F288 VanDerWaalsContact CG-CE1 3.48Å; P253-F288 HydrophobicContact CG-CE2 4.49Å; P253-F288 HydrophobicContact CG-CZ 3.43Å; P253-F288 VanDerWaalsContact CG-CZ 3.43Å; A286-F288 HydrophobicContact CB-CD1 4.41Å; A286-F288 HydrophobicContact CB-CE1 4.24Å; F288-F290 HydrophobicContact CD2-CB 3.95Å; F288-F290 HydrophobicContact CE2-CB 3.91Å; F288-F290 HydrophobicContact CE2-CD2 4.36Å; F288-F290 HydrophobicContact CE2-CG 4.17Å; F288-F290 PolarHBondContact O-N 3.48Å; F288-N330 WeakPolarHBondContact CD1-OD1 3.46Å; F288-N330 WeakPolarHBondContact CE1-OD1 3.21Å; F288-F335 HydrophobicContact CE1-CB 4.4Å; F288-F335 HydrophobicContact CE1-CG 4.45Å; F288-F335 AromaticContact CE2-CD1 3.69Å; F288-F335 HydrophobicContact CE2-CD1 3.69Å; F288-F335 AromaticContact CE2-CE1 3.75Å; F288-F335 HydrophobicContact CE2-CE1 3.75Å; F288-F335 HydrophobicContact CE2-CG 4.12Å; F288-F335 HydrophobicContact CE2-CZ 4.23Å; F288-F335 HydrophobicContact CZ-CB 4.01Å; F288-F335 AromaticContact CZ-CD1 3.66Å; F288-F335 HydrophobicContact CZ-CD1 3.66Å; F288-F335 AromaticContact CZ-CD2 3.97Å; F288-F335 HydrophobicContact CZ-CD2 3.97Å; F288-F335 HydrophobicContact CZ-CE1 4.07Å; F288-F335 HydrophobicContact CZ-CE2 4.35Å; F288-F335 AromaticContact CZ-CG 3.59Å; F288-F335 HydrophobicContact CZ-CG 3.59Å; F288-F335 HydrophobicContact CZ-CZ 4.38Å; F288-H427 AromaticContact CD1-CE1 3.69Å; F288-H427 AromaticContact CD2-CE1 3.54Å; F288-H427 AromaticContact CD2-ND1 3.49Å; F288-H427 WeakPolarHBondContact CD2-ND1 3.47Å; F288-H427 AromaticContact CE1-CE1 3.83Å; F288-H427 AromaticContact CE2-CE1 3.68Å; F288-H427 AromaticContact CE2-ND1 3.87Å; F288-H427 AromaticContact CG-CE1 3.54Å; F288-H427 AromaticContact CG-ND1 3.75Å; F288-H427 AromaticContact CZ-CE1 3.8Å
289	P	90.4	Very high	95.2	Very high	30 Å²	30	41 Å²	41	20%	0.195	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	124.2	172.7	-20.1	33.4	0	0	0	111.2	C248	C248-P289 CarbonylContact O-C 3.55Å; C248-P289 VanDerWaalsContact O-CA 3.23Å; C248-P289 WeakPolarHBondContact O-CA 3.47Å
290	F	91.9	Very high	95.1	Very high	1 Å²	1	34.1 Å²	34.1	0%	0.004	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	159.8	176.8	-156.2	-106	0	0	0	112.8	C248 L251 F288 L295 F335 L425 R426 I428	C248-F290 WeakPolarHBondContact CB-O 3.24Å; C248-F290 PolarHBondContact N-O 3.23Å; C248-F290 PolarHBondContact O-N 3.46Å; L251-F290 HydrophobicContact CB-CB 4.06Å; L251-F290 HydrophobicContact CD1-CB 4.17Å; L251-F290 HydrophobicContact CD2-CB 4.23Å; L251-F290 HydrophobicContact CG-CB 4.36Å; F288-F290 HydrophobicContact CD2-CB 3.95Å; F288-F290 HydrophobicContact CE2-CB 3.91Å; F288-F290 HydrophobicContact CE2-CD2 4.36Å; F288-F290 HydrophobicContact CE2-CG 4.17Å; F288-F290 PolarHBondContact O-N 3.48Å; F290-L295 HydrophobicContact CD1-CD1 3.97Å; F290-L295 HydrophobicContact CE1-CD1 4.04Å; F290-L295 HydrophobicContact CE1-CG 4.13Å; F290-F335 HydrophobicContact CD1-CE1 4.41Å; F290-F335 HydrophobicContact CD1-CZ 4.06Å; F290-F335 AromaticContact CD2-CE1 3.71Å; F290-F335 HydrophobicContact CD2-CE1 3.71Å; F290-F335 HydrophobicContact CD2-CZ 4.18Å; F290-F335 HydrophobicContact CE1-CE1 4.22Å; F290-F335 AromaticContact CE1-CZ 3.75Å; F290-F335 HydrophobicContact CE1-CZ 3.75Å; F290-F335 AromaticContact CE2-CE1 3.5Å; F290-F335 HydrophobicContact CE2-CE1 3.5Å; F290-F335 AromaticContact CE2-CZ 3.89Å; F290-F335 HydrophobicContact CE2-CZ 3.89Å; F290-F335 HydrophobicContact CG-CE1 4.19Å; F290-F335 HydrophobicContact CG-CZ 4.27Å; F290-F335 AromaticContact CZ-CE1 3.77Å; F290-F335 HydrophobicContact CZ-CE1 3.77Å; F290-F335 AromaticContact CZ-CZ 3.66Å; F290-F335 HydrophobicContact CZ-CZ 3.66Å; F290-L425 HydrophobicContact CE1-CD1 4.24Å; F290-L425 HydrophobicContact CZ-CB 4.18Å; F290-L425 HydrophobicContact CZ-CD1 4.02Å; F290-R426 VanDerWaalsContact CE2-O 3.32Å; F290-R426 WeakPolarHBondContact CE2-O 3.42Å; F290-I428 VanDerWaalsContact CA-CD1 3.49Å; F290-I428 HydrophobicContact CD2-CG1 4.14Å
291	I	91.4	Very high	94.9	Very high	3 Å²	3	34.3 Å²	34.3	2%	0.015	20%	0.195	C	C	.	.			trans	-91.4	119.4	172.5	-61.5	-174	0	0	0	109.2	L98 M228 M246 I247 L293 P294 I428	L98-I291 HydrophobicContact CD2-CD1 3.23Å; L98-I291 HydrophobicContact CD2-CG1 3.69Å; L98-I291 HydrophobicContact CG-CD1 3.9Å; M228-I291 HydrophobicContact CE-CD1 3.57Å; M228-I291 HydrophobicContact CE-CG2 4.3Å; M246-I291 HydrophobicContact CG-CD1 4.32Å; M246-I291 HydrophobicContact CG-CG2 4.15Å; M246-I291 HydrophobicContact SD-CD1 4.06Å; M246-I291 HydrophobicContact SD-CG2 3.62Å; I247-I291 HydrophobicContact CB-CG1 4.44Å; I247-I291 HydrophobicContact CG1-CD1 4.05Å; I247-I291 HydrophobicContact CG1-CG1 3.85Å; I247-I291 HydrophobicContact CG2-CG1 4.46Å; I291-L293 VanDerWaalsContact C-N 3.32Å; I291-L293 HydrophobicContact CG2-CB 3.99Å; I291-L293 PolarHBondContact O-N 2.87Å; I291-P294 WeakPolarHBondContact O-CD 3.32Å; I291-I428 HydrophobicContact CG1-CD1 4.12Å
292	P	93.8	Very high	94.9	Very high	22 Å²	22	31.2 Å²	31.2	14%	0.143	18%	0.178	C	C	.	.	H	α-helix	trans	-65.6	-31	179.4	-18.7	29	0	0	0	114.3	F243 M246 C248 L251 I256 L295 D296	F243-P292 HydrophobicContact CE1-CG 4.05Å; M246-P292 VanDerWaalsContact O-CD 3.29Å; M246-P292 WeakPolarHBondContact O-CD 3.39Å; C248-P292 HydrophobicContact CB-CG 4.27Å; L251-P292 HydrophobicContact CD1-CB 4.17Å; L251-P292 HydrophobicContact CD1-CG 3.88Å; I256-P292 HydrophobicContact CD1-CB 3.99Å; P292-L295 WeakPolarHBondContact O-CA 3.37Å; P292-L295 WeakPolarHBondContact O-CB 3.38Å; P292-L295 PolarHBondContact O-N 3.43Å; P292-D296 PolarHBondContact O-N 3.45Å
293	L	92.3	Very high	94.9	Very high	22 Å²	22	29 Å²	29	12%	0.115	16%	0.155	C	C	.	.	H	α-helix	trans	-53.5	-46.2	-166.7	-175.8	72	0	0	0	114.5	L224 R227 M228 M246 I291 L295 D296 Y297	L224-L293 HydrophobicContact CD1-CD2 4.33Å; R227-L293 HydrophobicContact CG-CD2 4.45Å; M228-L293 HydrophobicContact CG-CD2 3.72Å; M246-L293 HydrophobicContact CE-CD2 4.02Å; I291-L293 VanDerWaalsContact C-N 3.32Å; I291-L293 HydrophobicContact CG2-CB 3.99Å; I291-L293 PolarHBondContact O-N 2.87Å; L293-L295 VanDerWaalsContact C-N 3.33Å; L293-L295 PolarHBondContact O-N 3.37Å; L293-D296 WeakPolarHBondContact O-CB 3.44Å; L293-D296 PolarHBondContact O-N 3.28Å; L293-Y297 HydrophobicContact CD1-CE2 3.88Å; L293-Y297 HydrophobicContact CG-CD2 4.42Å; L293-Y297 HydrophobicContact CG-CE2 3.97Å; L293-Y297 VanDerWaalsContact O-CD2 3.24Å; L293-Y297 WeakPolarHBondContact O-CD2 3.23Å; L293-Y297 PolarHBondContact O-N 3.07Å
294	P	92.3	Very high	94.8	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.006	14%	0.137	C	C	.	.	H	α-helix	trans	-63.4	-36.6	176.2	-24.8	36.2	0	0	0	113.9	I291 D296 Y297 I298 L405	I291-P294 WeakPolarHBondContact O-CD 3.32Å; P294-D296 VanDerWaalsContact C-N 3.29Å; P294-D296 PolarHBondContact O-N 3.11Å; P294-Y297 PolarHBondContact O-N 3.47Å; P294-Y297 VanDerWaalsContact O-N 3.17Å; P294-I298 WeakPolarHBondContact O-CG1 3.5Å; P294-I298 PolarHBondContact O-N 3.11Å; P294-L405 HydrophobicContact CB-CD1 3.34Å; P294-L405 HydrophobicContact CG-CD1 3.4Å; P294-L405 HydrophobicContact CG-CD2 4.36Å
295	L	96.1	Very high	94.7	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-67.3	-34.5	176.8	-66	175.1	0	0	0	111.1	L251 I256 F290 P292 L293 Y297 I298 L299 F335 I337 L423 L425	L251-L295 HydrophobicContact CD2-CD1 4.36Å; I256-L295 HydrophobicContact CD1-CB 3.61Å; I256-L295 HydrophobicContact CD1-CD1 4Å; I256-L295 HydrophobicContact CD1-CG 4.46Å; I256-L295 HydrophobicContact CG1-CB 4.44Å; I256-L295 HydrophobicContact CG2-CD1 4.17Å; F290-L295 HydrophobicContact CD1-CD1 3.97Å; F290-L295 HydrophobicContact CE1-CD1 4.04Å; F290-L295 HydrophobicContact CE1-CG 4.13Å; P292-L295 WeakPolarHBondContact O-CA 3.37Å; P292-L295 WeakPolarHBondContact O-CB 3.38Å; P292-L295 PolarHBondContact O-N 3.43Å; L293-L295 VanDerWaalsContact C-N 3.33Å; L293-L295 PolarHBondContact O-N 3.37Å; L295-Y297 PolarHBondContact O-N 3.34Å; L295-I298 PolarHBondContact O-N 2.96Å; L295-L299 HydrophobicContact CB-CD1 3.97Å; L295-L299 HydrophobicContact CB-CG 4.32Å; L295-L299 HydrophobicContact CD2-CD1 4.4Å; L295-L299 HydrophobicContact CD2-CG 4.39Å; L295-L299 VanDerWaalsContact O-CB 3.3Å; L295-L299 WeakPolarHBondContact O-CB 3.34Å; L295-L299 WeakPolarHBondContact O-CG 3.5Å; L295-L299 PolarHBondContact O-N 2.9Å; L295-F335 HydrophobicContact CD2-CE2 4.45Å; L295-I337 HydrophobicContact CD2-CD1 4.14Å; L295-L423 HydrophobicContact CD2-CD2 4.04Å; L295-L425 HydrophobicContact CD2-CD1 3.66Å; L295-L425 HydrophobicContact CG-CD1 4.43Å
296	D	94.3	Very high	94.7	Very high	22 Å²	22	21.1 Å²	21.1	12%	0.118	10%	0.101	C	C	.	.	H	α-helix	trans	-63.8	-21.8	173.8	-70.4	-35	0	0	0	113.2	K259 W260 P292 L293 P294 P300	K259-D296 IonicContact NZ-OD1 2.77Å; K259-D296 PolarHBondContact NZ-OD1 3.26Å; K259-D296 IonicContact NZ-OD2 3.8Å; W260-D296 HydrophobicContact CZ2-CB 3.56Å; W260-D296 WeakPolarHBondContact CZ2-OD1 3.26Å; W260-D296 PolarHBondContact NE1-OD1 3.23Å; P292-D296 PolarHBondContact O-N 3.45Å; L293-D296 WeakPolarHBondContact O-CB 3.44Å; L293-D296 PolarHBondContact O-N 3.28Å; P294-D296 VanDerWaalsContact C-N 3.29Å; P294-D296 PolarHBondContact O-N 3.11Å; D296-P300 WeakPolarHBondContact O-CD 3.19Å; D296-P300 VanDerWaalsContact O-CG 3.29Å; D296-P300 WeakPolarHBondContact O-CG 3.11Å
297	Y	93	Very high	94.7	Very high	55 Å²	55	20.5 Å²	20.5	22%	0.216	10%	0.096	C	C	.	.	H	α-helix	trans	-88.5	-46.5	170.9	-75.4	-74.2	0	0	0	112.7	L224 R227 L293 P294 L295 E301 Y401	L224-Y297 HydrophobicContact CD1-CD2 4.14Å; L224-Y297 HydrophobicContact CD1-CE2 4.08Å; R227-Y297 WeakPolarHBondContact CD-OH 3.16Å; R227-Y297 PolarHBondContact NE-OH 2.94Å; L293-Y297 HydrophobicContact CD1-CE2 3.88Å; L293-Y297 HydrophobicContact CG-CD2 4.42Å; L293-Y297 HydrophobicContact CG-CE2 3.97Å; L293-Y297 VanDerWaalsContact O-CD2 3.24Å; L293-Y297 WeakPolarHBondContact O-CD2 3.23Å; L293-Y297 PolarHBondContact O-N 3.07Å; P294-Y297 PolarHBondContact O-N 3.47Å; P294-Y297 VanDerWaalsContact O-N 3.17Å; L295-Y297 PolarHBondContact O-N 3.34Å; Y297-E301 WeakPolarHBondContact O-CG 3.26Å; Y297-Y401 HydrophobicContact CD1-CE2 4.28Å; Y297-Y401 HydrophobicContact CD2-CE2 4.33Å; Y297-Y401 HydrophobicContact CG-CD2 4.43Å; Y297-Y401 AromaticContact CG-CE2 3.93Å; Y297-Y401 HydrophobicContact CG-CE2 3.93Å
298	I	96.9	Very high	94.6	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-77.4	-49	-168.5	-63.2	166.6	0	0	0	111.7	P294 L295 E301 L302 L423	P294-I298 WeakPolarHBondContact O-CG1 3.5Å; P294-I298 PolarHBondContact O-N 3.11Å; L295-I298 PolarHBondContact O-N 2.96Å; I298-E301 PolarHBondContact O-N 3.32Å; I298-L302 HydrophobicContact CG2-CD1 3.68Å; I298-L302 HydrophobicContact CG2-CG 3.95Å; I298-L302 WeakPolarHBondContact O-CG 3.43Å; I298-L302 PolarHBondContact O-N 3.04Å; I298-L302 VanDerWaalsContact O-N 3.11Å; I298-L423 HydrophobicContact CB-CD2 4.41Å; I298-L423 HydrophobicContact CD1-CD1 4.11Å; I298-L423 HydrophobicContact CG2-CD1 4.16Å; I298-L423 HydrophobicContact CG2-CD2 3.72Å; I298-L423 HydrophobicContact CG2-CG 4.5Å
299	L	97.9	Very high	94.7	Very high	1 Å²	1	16 Å²	16	1%	0.005	9%	0.086	C	C	.	.	H	α-helix	trans	-57.8	-48.1	-173	-66.3	176.4	0	0	0	113.9	I256 I257 W260 L295 E301 L302 L303 I337 L423	I256-L299 HydrophobicContact CG1-CD1 4.2Å; I256-L299 HydrophobicContact CG2-CD1 4.33Å; I257-L299 HydrophobicContact CG1-CD1 4.03Å; I257-L299 HydrophobicContact CG1-CD2 4.39Å; W260-L299 HydrophobicContact CB-CB 4.09Å; W260-L299 HydrophobicContact CG-CB 4.12Å; L295-L299 HydrophobicContact CB-CD1 3.97Å; L295-L299 HydrophobicContact CB-CG 4.32Å; L295-L299 HydrophobicContact CD2-CD1 4.4Å; L295-L299 HydrophobicContact CD2-CG 4.39Å; L295-L299 VanDerWaalsContact O-CB 3.3Å; L295-L299 WeakPolarHBondContact O-CB 3.34Å; L295-L299 WeakPolarHBondContact O-CG 3.5Å; L295-L299 PolarHBondContact O-N 2.9Å; L299-E301 VanDerWaalsContact C-N 3.29Å; L299-E301 PolarHBondContact O-N 2.8Å; L299-L302 PolarHBondContact O-N 2.83Å; L299-L303 WeakPolarHBondContact O-CB 3.13Å; L299-L303 WeakPolarHBondContact O-CD1 3.25Å; L299-L303 VanDerWaalsContact O-CG 3.22Å; L299-L303 WeakPolarHBondContact O-CG 3.38Å; L299-L303 PolarHBondContact O-N 2.81Å; L299-I337 HydrophobicContact CD2-CD1 4.12Å; L299-I337 HydrophobicContact CD2-CG2 4.34Å; L299-L423 HydrophobicContact CD2-CD2 4.45Å
300	P	95.8	Very high	95	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.006	8%	0.076	C	C	.	.	H	α-helix	trans	-63.2	-34.1	178.8	22.8	-32.4	0	0	0	112.9	W260 F263 D296 K304	W260-P300 HydrophobicContact CD2-CB 4.29Å; W260-P300 HydrophobicContact CD2-CG 4.09Å; W260-P300 HydrophobicContact CE3-CB 3.77Å; W260-P300 HydrophobicContact CE3-CG 3.86Å; W260-P300 HydrophobicContact CZ3-CB 4.3Å; W260-P300 HydrophobicContact CZ3-CG 4.19Å; F263-P300 HydrophobicContact CD1-CB 4.07Å; F263-P300 HydrophobicContact CE1-CB 4.13Å; D296-P300 WeakPolarHBondContact O-CD 3.19Å; D296-P300 VanDerWaalsContact O-CG 3.29Å; D296-P300 WeakPolarHBondContact O-CG 3.11Å; P300-K304 VanDerWaalsContact O-CB 3.31Å; P300-K304 WeakPolarHBondContact O-CB 3.47Å; P300-K304 VanDerWaalsContact O-CE 3.31Å; P300-K304 WeakPolarHBondContact O-CE 3.45Å; P300-K304 WeakPolarHBondContact O-CG 3.32Å; P300-K304 PolarHBondContact O-N 3.31Å
301	E	94.8	Very high	95.2	Very high	43 Å²	43	14.7 Å²	14.7	20%	0.201	8%	0.077	C	C	.	.	H	α-helix	trans	-66	-46.1	176.8	-66.1	-56.6	132.6	0	0	111.7	Y297 I298 L299 K304 N305 G394	Y297-E301 WeakPolarHBondContact O-CG 3.26Å; I298-E301 PolarHBondContact O-N 3.32Å; L299-E301 VanDerWaalsContact C-N 3.29Å; L299-E301 PolarHBondContact O-N 2.8Å; E301-K304 VanDerWaalsContact CD-NZ 3.33Å; E301-K304 WeakPolarHBondContact OE1-CE 3.46Å; E301-K304 IonicContact OE1-NZ 3.57Å; E301-K304 PolarHBondContact OE1-NZ 3.24Å; E301-K304 IonicContact OE2-NZ 2.68Å; E301-K304 PolarHBondContact OE2-NZ 2.96Å; E301-N305 VanDerWaalsContact O-CG 3.25Å; E301-N305 PolarHBondContact O-N 3.49Å; E301-N305 VanDerWaalsContact O-N 3.15Å; E301-N305 PolarHBondContact O-ND2 3.41Å; E301-G394 WeakPolarHBondContact OE2-CA 3.37Å
302	L	97.3	Very high	95.2	Very high	5 Å²	5	16.4 Å²	16.4	3%	0.026	9%	0.085	C	C	.	.	H	α-helix	trans	-67.3	-41	178.9	-57.7	-173.5	0	0	0	112.1	I298 L299 N305 A306 I339 L395 L409 V421 L423	I298-L302 HydrophobicContact CG2-CD1 3.68Å; I298-L302 HydrophobicContact CG2-CG 3.95Å; I298-L302 WeakPolarHBondContact O-CG 3.43Å; I298-L302 PolarHBondContact O-N 3.04Å; I298-L302 VanDerWaalsContact O-N 3.11Å; L299-L302 PolarHBondContact O-N 2.83Å; L302-N305 PolarHBondContact O-N 2.57Å; L302-A306 PolarHBondContact O-N 2.76Å; L302-I339 HydrophobicContact CB-CD1 3.63Å; L302-I339 HydrophobicContact CD1-CD1 4.05Å; L302-L395 HydrophobicContact CD2-CD2 3.79Å; L302-L409 HydrophobicContact CD1-CD1 3.87Å; L302-L409 HydrophobicContact CD2-CD1 4.36Å; L302-L409 HydrophobicContact CD2-CD2 4.3Å; L302-V421 HydrophobicContact CD1-CG1 3.94Å; L302-V421 HydrophobicContact CD2-CG1 4.08Å; L302-L423 HydrophobicContact CD1-CB 4.45Å
303	L	97.9	Very high	95.2	Very high	1 Å²	1	18 Å²	18	1%	0.005	10%	0.096	C	C	.	.	H	α-helix	trans	-66.6	-43.1	178.7	-71.5	168	0	0	0	111.8	W260 V261 A264 L299 N305 A306 M307 V326 I339	W260-L303 HydrophobicContact CB-CD1 3.81Å; V261-L303 HydrophobicContact CG2-CD1 3.96Å; V261-L303 HydrophobicContact CG2-CD2 4.09Å; A264-L303 HydrophobicContact CB-CB 3.82Å; L299-L303 WeakPolarHBondContact O-CB 3.13Å; L299-L303 WeakPolarHBondContact O-CD1 3.25Å; L299-L303 VanDerWaalsContact O-CG 3.22Å; L299-L303 WeakPolarHBondContact O-CG 3.38Å; L299-L303 PolarHBondContact O-N 2.81Å; L303-N305 VanDerWaalsContact C-N 3.3Å; L303-N305 PolarHBondContact O-N 2.7Å; L303-A306 PolarHBondContact O-N 3.44Å; L303-M307 WeakPolarHBondContact O-CB 3.4Å; L303-M307 VanDerWaalsContact O-CG 3.23Å; L303-M307 WeakPolarHBondContact O-CG 3.41Å; L303-M307 PolarHBondContact O-N 3.04Å; L303-V326 HydrophobicContact CD2-CG2 4.5Å; L303-I339 HydrophobicContact CD2-CD1 4.29Å; L303-I339 HydrophobicContact CD2-CG2 4.48Å; L303-I339 HydrophobicContact CG-CD1 4.39Å
304	K	95.3	Very high	95.3	Very high	24 Å²	24	19.3 Å²	19.3	10%	0.104	10%	0.102	C	C	.	.	H	α-helix	trans	-57.9	-44.1	173.9	-78.1	-178.1	-57.9	174.9	0	111.3	A264 L267 P300 E301 R308 M388	A264-K304 HydrophobicContact CB-CG 4.44Å; L267-K304 HydrophobicContact CD1-CD 4.1Å; P300-K304 VanDerWaalsContact O-CB 3.31Å; P300-K304 WeakPolarHBondContact O-CB 3.47Å; P300-K304 VanDerWaalsContact O-CE 3.31Å; P300-K304 WeakPolarHBondContact O-CE 3.45Å; P300-K304 WeakPolarHBondContact O-CG 3.32Å; P300-K304 PolarHBondContact O-N 3.31Å; E301-K304 VanDerWaalsContact CD-NZ 3.33Å; E301-K304 WeakPolarHBondContact OE1-CE 3.46Å; E301-K304 IonicContact OE1-NZ 3.57Å; E301-K304 PolarHBondContact OE1-NZ 3.24Å; E301-K304 IonicContact OE2-NZ 2.68Å; E301-K304 PolarHBondContact OE2-NZ 2.96Å; K304-R308 WeakPolarHBondContact O-CB 3.32Å; K304-R308 PolarHBondContact O-N 3.1Å; K304-M388 WeakPolarHBondContact O-CE 3.49Å
305	N	95.3	Very high	95.1	Very high	55 Å²	55	20.4 Å²	20.4	29%	0.294	11%	0.107	S	C	.	.	H	α-helix	trans	-62.2	-48.9	178.5	-71	-16.7	0	0	0	112.1	E301 L302 L303 M307 R308 A309	E301-N305 VanDerWaalsContact O-CG 3.25Å; E301-N305 PolarHBondContact O-N 3.49Å; E301-N305 VanDerWaalsContact O-N 3.15Å; E301-N305 PolarHBondContact O-ND2 3.41Å; L302-N305 PolarHBondContact O-N 2.57Å; L303-N305 VanDerWaalsContact C-N 3.3Å; L303-N305 PolarHBondContact O-N 2.7Å; N305-M307 PolarHBondContact O-N 3.07Å; N305-R308 PolarHBondContact O-N 2.91Å; N305-A309 WeakPolarHBondContact O-CB 3.32Å; N305-A309 PolarHBondContact O-N 3.01Å
306	A	97.4	Very high	94.7	Very high	3 Å²	3	26.4 Å²	26.4	3%	0.025	14%	0.14	C	C	.	.	H	α-helix	trans	-60.2	-46.4	178.3	0	0	0	0	0	112.2	L302 L303 T310 V324 I339 D341	L302-A306 PolarHBondContact O-N 2.76Å; L303-A306 PolarHBondContact O-N 3.44Å; A306-T310 WeakPolarHBondContact O-CB 3.48Å; A306-T310 PolarHBondContact O-N 3.25Å; A306-T310 PolarHBondContact O-OG1 3.27Å; A306-V324 HydrophobicContact CB-CG1 4.21Å; A306-V324 HydrophobicContact CB-CG2 4.28Å; A306-I339 HydrophobicContact CB-CG2 4.04Å; A306-D341 HydrophobicContact CB-CB 3.98Å
307	M	96.9	Very high	94.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-65.6	-43.8	178.6	-68.9	-179.7	-179.1	0	0	111.5	A264 R265 C268 P276 V278 L303 N305 T310 M311 M388	A264-M307 VanDerWaalsContact C-SD 3.54Å; A264-M307 HydrophobicContact CB-CE 3.92Å; A264-M307 HydrophobicContact CB-SD 3.59Å; A264-M307 VanDerWaalsContact CB-SD 3.59Å; R265-M307 HydrophobicContact CG-CE 3.46Å; R265-M307 VanDerWaalsContact CG-CE 3.46Å; R265-M307 HydrophobicContact CG-SD 4.1Å; C268-M307 HydrophobicContact CB-CB 4.4Å; C268-M307 HydrophobicContact CB-SD 4.21Å; P276-M307 HydrophobicContact CG-CB 4.12Å; P276-M307 HydrophobicContact CG-CG 3.78Å; V278-M307 HydrophobicContact CG2-CE 3.62Å; L303-M307 WeakPolarHBondContact O-CB 3.4Å; L303-M307 VanDerWaalsContact O-CG 3.23Å; L303-M307 WeakPolarHBondContact O-CG 3.41Å; L303-M307 PolarHBondContact O-N 3.04Å; N305-M307 PolarHBondContact O-N 3.07Å; M307-T310 PolarHBondContact O-N 3.29Å; M307-M311 WeakPolarHBondContact O-CG 3.38Å; M307-M311 PolarHBondContact O-N 2.68Å; M307-M388 HydrophobicContact CB-CE 3.48Å; M307-M388 VanDerWaalsContact CB-CE 3.48Å
308	R	94.1	Very high	94.3	Very high	18 Å²	18	27 Å²	27	7%	0.068	15%	0.15	C	C	.	.	H	α-helix	trans	-59.1	-52.8	177.8	176.5	173.8	177.2	-131.8	-20.6	111.1	K304 N305 T310 M311 E312 A362 S365 M388	K304-R308 WeakPolarHBondContact O-CB 3.32Å; K304-R308 PolarHBondContact O-N 3.1Å; N305-R308 PolarHBondContact O-N 2.91Å; R308-T310 PolarHBondContact O-N 2.82Å; R308-M311 PolarHBondContact O-N 3.49Å; R308-E312 HydrophobicContact CG-CG 4.2Å; R308-E312 WeakPolarHBondContact CG-OE1 3.46Å; R308-E312 IonicContact CZ-OE1 3.36Å; R308-E312 IonicContact CZ-OE2 2.7Å; R308-E312 IonicContact NE-OE1 3.74Å; R308-E312 PolarHBondContact NE-OE1 2.96Å; R308-E312 IonicContact NE-OE2 3.28Å; R308-E312 PolarHBondContact NE-OE2 3.39Å; R308-E312 IonicContact NH2-OE1 2.71Å; R308-E312 PolarHBondContact NH2-OE1 3.49Å; R308-E312 IonicContact NH2-OE2 3.78Å; R308-E312 PolarHBondContact NH2-OE2 3.19Å; R308-E312 VanDerWaalsContact NH2-OE2 3.13Å; R308-E312 WeakPolarHBondContact O-CB 3.24Å; R308-E312 WeakPolarHBondContact O-CG 3.42Å; R308-E312 PolarHBondContact O-N 3.12Å; R308-A362 VanDerWaalsContact NH2-CB 3.27Å; R308-S365 PolarHBondContact NH2-OG 3.36Å; R308-S365 VanDerWaalsContact NH2-OG 3.12Å; R308-M388 HydrophobicContact CB-CE 3.94Å
309	A	94.6	Very high	93.9	Very high	30 Å²	30	35.3 Å²	35.3	25%	0.248	18%	0.183	C	C	.	.	H	α-helix	trans	-58.5	-39.1	179.1	0	0	0	0	0	111.6	N305 S313 G343	N305-A309 WeakPolarHBondContact O-CB 3.32Å; N305-A309 PolarHBondContact O-N 3.01Å; A309-S313 WeakPolarHBondContact O-CB 3.42Å; A309-S313 PolarHBondContact O-N 3.08Å; A309-S313 VanDerWaalsContact O-N 3.1Å; A309-S313 PolarHBondContact O-OG 2.85Å; A309-G343 WeakPolarHBondContact O-CA 3.38Å
310	T	96.8	Very high	93.6	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-64	-46.9	176.6	-56.9	0	0	0	0	112.1	P276 A306 M307 R308 S313 H314 V321 P322	P276-T310 HydrophobicContact CB-CG2 4.06Å; P276-T310 HydrophobicContact CG-CG2 4.24Å; A306-T310 WeakPolarHBondContact O-CB 3.48Å; A306-T310 PolarHBondContact O-N 3.25Å; A306-T310 PolarHBondContact O-OG1 3.27Å; M307-T310 PolarHBondContact O-N 3.29Å; R308-T310 PolarHBondContact O-N 2.82Å; T310-S313 PolarHBondContact O-OG 3.39Å; T310-S313 VanDerWaalsContact O-OG 3.04Å; T310-H314 PolarHBondContact O-N 2.95Å; T310-H314 PolarHBondContact O-ND1 2.99Å; T310-V321 HydrophobicContact CG2-CB 4.06Å; T310-V321 HydrophobicContact CG2-CG2 4.48Å; T310-P322 HydrophobicContact CG2-CG 3.93Å
311	M	94.8	Very high	93.6	Very high	3 Å²	3	41.6 Å²	41.6	2%	0.015	22%	0.217	C	C	.	.	H	α-helix	trans	-67.4	-44.1	178.9	-64.4	-49.9	-66.3	0	0	112.2	C268 Y272 N274 M307 R308 S313 H314 L315 P318 V321	C268-M311 VanDerWaalsContact SG-CG 3.5Å; Y272-M311 HydrophobicContact CD1-CB 3.97Å; Y272-M311 HydrophobicContact CD2-CB 3.97Å; Y272-M311 HydrophobicContact CD2-CG 3.95Å; Y272-M311 HydrophobicContact CE1-CB 4.28Å; Y272-M311 HydrophobicContact CE2-CB 4.27Å; Y272-M311 HydrophobicContact CG-CB 3.82Å; Y272-M311 HydrophobicContact CG-CG 4.02Å; N274-M311 HydrophobicContact CB-CE 4.13Å; M307-M311 WeakPolarHBondContact O-CG 3.38Å; M307-M311 PolarHBondContact O-N 2.68Å; R308-M311 PolarHBondContact O-N 3.49Å; M311-S313 VanDerWaalsContact C-N 3.28Å; M311-S313 PolarHBondContact O-N 3.34Å; M311-H314 CarbonylContact O-C 3.52Å; M311-H314 PolarHBondContact O-N 2.77Å; M311-H314 VanDerWaalsContact O-N 3.15Å; M311-L315 PolarHBondContact O-N 2.98Å; M311-P318 HydrophobicContact CE-CB 4.3Å; M311-V321 HydrophobicContact CE-CG1 4.26Å; M311-V321 HydrophobicContact SD-CB 4.37Å; M311-V321 HydrophobicContact SD-CG1 3.9Å; M311-V321 HydrophobicContact SD-CG2 3.92Å
312	E	92.3	Very high	93.8	Very high	39 Å²	39	41.4 Å²	41.4	18%	0.182	22%	0.219	C	C	.	.	H	α-helix	trans	-69.3	-24.2	-177.3	-67.4	-178.2	174.2	0	0	113.1	Y272 R308 L315 S365 M371	Y272-E312 HydrophobicContact CE1-CG 4.05Å; Y272-E312 PolarHBondContact OH-OE1 2.9Å; R308-E312 HydrophobicContact CG-CG 4.2Å; R308-E312 WeakPolarHBondContact CG-OE1 3.46Å; R308-E312 IonicContact CZ-OE1 3.36Å; R308-E312 IonicContact CZ-OE2 2.7Å; R308-E312 IonicContact NE-OE1 3.74Å; R308-E312 PolarHBondContact NE-OE1 2.96Å; R308-E312 IonicContact NE-OE2 3.28Å; R308-E312 PolarHBondContact NE-OE2 3.39Å; R308-E312 IonicContact NH2-OE1 2.71Å; R308-E312 PolarHBondContact NH2-OE1 3.49Å; R308-E312 IonicContact NH2-OE2 3.78Å; R308-E312 PolarHBondContact NH2-OE2 3.19Å; R308-E312 VanDerWaalsContact NH2-OE2 3.13Å; R308-E312 WeakPolarHBondContact O-CB 3.24Å; R308-E312 WeakPolarHBondContact O-CG 3.42Å; R308-E312 PolarHBondContact O-N 3.12Å; E312-L315 WeakPolarHBondContact O-CG 3.39Å; E312-S365 PolarHBondContact OE2-OG 3.06Å; E312-M371 HydrophobicContact CB-CE 4.41Å; E312-M371 HydrophobicContact CG-CE 3.83Å; E312-M371 HydrophobicContact CG-SD 4.49Å
313	S	93.1	Very high	93.8	Very high	55 Å²	55	43.1 Å²	43.1	39%	0.385	23%	0.228	S	C	.	.	H	α-helix	trans	-85.5	-9.8	174	53.4	0	0	0	0	114.1	A309 T310 M311 G343	A309-S313 WeakPolarHBondContact O-CB 3.42Å; A309-S313 PolarHBondContact O-N 3.08Å; A309-S313 VanDerWaalsContact O-N 3.1Å; A309-S313 PolarHBondContact O-OG 2.85Å; T310-S313 PolarHBondContact O-OG 3.39Å; T310-S313 VanDerWaalsContact O-OG 3.04Å; M311-S313 VanDerWaalsContact C-N 3.28Å; M311-S313 PolarHBondContact O-N 3.34Å; S313-G343 WeakPolarHBondContact OG-CA 3.41Å
314	H	93.9	Very high	93.8	Very high	49 Å²	49	43 Å²	43	23%	0.227	23%	0.228	C	C	.	.			trans	-125.7	36.4	-176.1	-64.3	76.1	0	0	0	112.3	T310 M311 D316 T317 V321 P322 R342	T310-H314 PolarHBondContact O-N 2.95Å; T310-H314 PolarHBondContact O-ND1 2.99Å; M311-H314 CarbonylContact O-C 3.52Å; M311-H314 PolarHBondContact O-N 2.77Å; M311-H314 VanDerWaalsContact O-N 3.15Å; H314-D316 PolarHBondContact O-N 3.19Å; H314-D316 VanDerWaalsContact O-N 3.12Å; H314-T317 CarbonylContact O-C 3.53Å; H314-T317 VanDerWaalsContact O-C 3.28Å; H314-T317 PolarHBondContact O-N 3.32Å; H314-V321 HydrophobicContact CB-CG1 3.75Å; H314-P322 WeakPolarHBondContact NE2-CD 3.49Å; H314-R342 PolarHBondContact CE1-O 2.96Å
315	L	88.8	Confident	94	Very high	24 Å²	24	43.3 Å²	43.3	13%	0.126	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-27	-178.8	-65.2	175.3	0	0	0	113.8	M311 E312 P318 R370 M371	M311-L315 PolarHBondContact O-N 2.98Å; E312-L315 WeakPolarHBondContact O-CG 3.39Å; L315-P318 WeakPolarHBondContact O-CD 3.41Å; L315-R370 HydrophobicContact CD1-CB 4.2Å; L315-M371 HydrophobicContact CD1-CE 4.3Å; L315-M371 HydrophobicContact CD1-SD 4.44Å; L315-M371 HydrophobicContact CD2-CE 4.45Å; L315-M371 HydrophobicContact CD2-SD 3.8Å
316	D	88.2	Confident	94.2	Very high	127 Å²	127	40.7 Å²	40.7	68%	0.679	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-21.5	178.9	-56.1	-38	0	0	0	112.6	H314 P318	H314-D316 PolarHBondContact O-N 3.19Å; H314-D316 VanDerWaalsContact O-N 3.12Å; D316-P318 VanDerWaalsContact C-CD 3.48Å
317	T	91.4	Very high	94.2	Very high	53 Å²	53	41.9 Å²	41.9	33%	0.325	23%	0.225	S	C	.	.			trans	-133.7	54.5	-177.7	49.7	0	0	0	0	112.3	H314 Y319 N320	H314-T317 CarbonylContact O-C 3.53Å; H314-T317 VanDerWaalsContact O-C 3.28Å; H314-T317 PolarHBondContact O-N 3.32Å; T317-Y319 PolarHBondContact O-N 3.11Å; T317-N320 CarbonylContact O-C 3.21Å; T317-N320 PolarHBondContact O-N 3.18Å
318	P	86	Confident	94.3	Very high	35 Å²	35	42 Å²	42	23%	0.227	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-20.8	-172.2	28.1	-35.6	0	0	0	113	N274 M311 L315 D316	N274-P318 WeakPolarHBondContact CB-O 3.45Å; N274-P318 PolarHBondContact ND2-O 3.3Å; M311-P318 HydrophobicContact CE-CB 4.3Å; L315-P318 WeakPolarHBondContact O-CD 3.41Å; D316-P318 VanDerWaalsContact C-CD 3.48Å
319	Y	88.9	Confident	94.5	Very high	175 Å²	175	43 Å²	43	69%	0.686	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-15.4	176.8	48.7	-92	0	0	0	113.7	N274 T317	N274-Y319 WeakPolarHBondContact ND2-CA 3.45Å; N274-Y319 PolarHBondContact ND2-O 3.34Å; T317-Y319 PolarHBondContact O-N 3.11Å
320	N	92.9	Very high	94.6	Very high	121 Å²	121	43.9 Å²	43.9	65%	0.647	24%	0.238	S	C	*	.	S	Bend	trans	-137.4	78.8	-178.7	-174.7	33.1	0	0	0	111	T317	T317-N320 CarbonylContact O-C 3.21Å; T317-N320 PolarHBondContact O-N 3.18Å
321	V	96	Very high	94.4	Very high	14 Å²	14	47 Å²	47	9%	0.085	26%	0.255	C	S	.	.			trans	-104.4	149.8	-180	-62.4	0	0	0	0	111.2	P276 T310 M311 H314	P276-V321 HydrophobicContact CB-CG2 3.81Å; T310-V321 HydrophobicContact CG2-CB 4.06Å; T310-V321 HydrophobicContact CG2-CG2 4.48Å; M311-V321 HydrophobicContact CE-CG1 4.26Å; M311-V321 HydrophobicContact SD-CB 4.37Å; M311-V321 HydrophobicContact SD-CG1 3.9Å; M311-V321 HydrophobicContact SD-CG2 3.92Å; H314-V321 HydrophobicContact CB-CG1 3.75Å
322	P	97.3	Very high	94.1	Very high	38 Å²	38	51.8 Å²	51.8	25%	0.247	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-65.4	148.2	179.9	26.1	-34.4	0	0	0	112.6	P276 T310 H314 R342	P276-P322 VanDerWaalsContact CB-O 3.3Å; P276-P322 WeakPolarHBondContact CB-O 3.35Å; T310-P322 HydrophobicContact CG2-CG 3.93Å; H314-P322 WeakPolarHBondContact NE2-CD 3.49Å; P322-R342 HydrophobicContact CB-CB 3.84Å; P322-R342 HydrophobicContact CB-CG 4.16Å; P322-R342 HydrophobicContact CG-CB 3.54Å; P322-R342 HydrophobicContact CG-CG 4.41Å
323	D	98.2	Very high	93.9	Very high	41 Å²	41	54.9 Å²	54.9	22%	0.219	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-65.7	140.3	177.1	-63.4	-15.3	0	0	0	111.5	R277 R279	R277-D323 WeakPolarHBondContact CB-OD1 3.36Å; R277-D323 CarbonylContact O-C 3.55Å; R277-D323 VanDerWaalsContact O-CA 3.27Å; R277-D323 WeakPolarHBondContact O-CA 3.5Å; R279-D323 WeakPolarHBondContact CD-OD2 3.41Å; R279-D323 HydrophobicContact CG-CB 4.21Å; R279-D323 WeakPolarHBondContact CG-OD2 3.24Å; R279-D323 IonicContact CZ-OD2 2.98Å; R279-D323 IonicContact NE-OD2 3.64Å; R279-D323 PolarHBondContact NE-OD2 3.15Å; R279-D323 IonicContact NH1-OD2 3.43Å; R279-D323 PolarHBondContact NH1-OD2 3.09Å
324	V	98.5	Very high	93.8	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	132.1	161.8	176.6	0	0	0	0	108.1	P276 R277 V278 R279 A306 I339 D341	P276-V324 HydrophobicContact CB-CG2 4.2Å; P276-V324 HydrophobicContact CG-CG2 3.93Å; R277-V324 PolarHBondContact O-N 3.19Å; V278-V324 CarbonylContact C-O 3.52Å; V278-V324 VanDerWaalsContact CA-O 3.27Å; V278-V324 WeakPolarHBondContact CA-O 3.35Å; V278-V324 HydrophobicContact CG2-CB 4.28Å; R279-V324 PolarHBondContact N-O 3.48Å; A306-V324 HydrophobicContact CB-CG1 4.21Å; A306-V324 HydrophobicContact CB-CG2 4.28Å; V324-I339 HydrophobicContact CG1-CG2 3.82Å; V324-D341 HydrophobicContact CG2-CB 4.41Å
325	V	98.8	Very high	93.9	Very high	29 Å²	29	50.7 Å²	50.7	18%	0.176	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	123.9	-178.6	-177.6	0	0	0	0	109.7	R279 S340	R279-V325 CarbonylContact O-C 3.57Å; R279-V325 WeakPolarHBondContact O-CA 3.38Å; V325-S340 PolarHBondContact N-O 2.93Å; V325-S340 PolarHBondContact O-N 3.37Å
326	V	98.8	Very high	94.3	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.006	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	121.2	175.9	-175.2	0	0	0	0	109.6	I257 V278 R279 I280 N281 L303 I337 R338 I339	I257-V326 HydrophobicContact CD1-CG1 3.95Å; I257-V326 HydrophobicContact CG2-CG1 4.12Å; I257-V326 HydrophobicContact CG2-CG2 4.45Å; V278-V326 HydrophobicContact CG1-CB 4.5Å; V278-V326 HydrophobicContact CG1-CG2 3.6Å; R279-V326 PolarHBondContact O-N 2.82Å; I280-V326 CarbonylContact C-O 3.49Å; I280-V326 VanDerWaalsContact CA-O 3.28Å; I280-V326 WeakPolarHBondContact CA-O 3.44Å; I280-V326 HydrophobicContact CG1-CB 4.39Å; N281-V326 PolarHBondContact N-O 3.09Å; N281-V326 PolarHBondContact OD1-O 3.38Å; L303-V326 HydrophobicContact CD2-CG2 4.5Å; V326-I337 HydrophobicContact CG1-CG2 3.75Å; V326-R338 CarbonylContact C-O 3.58Å; V326-R338 VanDerWaalsContact CA-O 3.24Å; V326-R338 WeakPolarHBondContact CA-O 3.46Å; V326-I339 HydrophobicContact CG1-CG1 4.34Å; V326-I339 HydrophobicContact CG2-CG1 4.2Å; V326-I339 HydrophobicContact CG2-CG2 4.46Å
327	T	98.7	Very high	94.8	Very high	28 Å²	28	44.4 Å²	44.4	17%	0.172	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	125.2	178.4	-55.4	0	0	0	0	110.3	N281 R338	N281-T327 VanDerWaalsContact OD1-CA 3.25Å; N281-T327 WeakPolarHBondContact OD1-CA 3.23Å; N281-T327 VanDerWaalsContact OD1-CB 3.24Å; N281-T327 WeakPolarHBondContact OD1-CB 3.48Å; N281-T327 WeakPolarHBondContact OD1-CG2 3.48Å; N281-T327 PolarHBondContact OD1-OG1 3.1Å; T327-R338 PolarHBondContact N-O 3.38Å; T327-R338 PolarHBondContact O-N 2.86Å; T327-R338 PolarHBondContact OG1-NH2 3.28Å
328	I	98.6	Very high	95.2	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	120.4	176.4	-58	161.8	0	0	0	108.8	P253 K254 I257 I280 N281 G282 H283	P253-I328 HydrophobicContact CB-CD1 4.15Å; P253-I328 HydrophobicContact CB-CG2 4.12Å; P253-I328 HydrophobicContact CG-CG2 4.44Å; K254-I328 HydrophobicContact CB-CD1 4.12Å; I257-I328 HydrophobicContact CD1-CD1 3.84Å; I257-I328 HydrophobicContact CD1-CG1 3.81Å; I280-I328 HydrophobicContact CG2-CD1 3.61Å; I280-I328 HydrophobicContact CG2-CG1 4.24Å; N281-I328 PolarHBondContact O-N 2.94Å; G282-I328 CarbonylContact C-O 3.48Å; G282-I328 WeakPolarHBondContact CA-O 3.45Å; H283-I328 HydrophobicContact CB-CG2 4.49Å; H283-I328 PolarHBondContact N-O 3.05Å
329	A	98.1	Very high	95.8	Very high	39 Å²	39	44 Å²	44	32%	0.322	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	133	167.2	0	0	0	0	0	109.2	F335 V336	A329-F335 CarbonylContact O-C 3.6Å; A329-F335 VanDerWaalsContact O-CA 3.24Å; A329-F335 WeakPolarHBondContact O-CA 3.48Å; A329-F335 WeakPolarHBondContact O-CB 3.4Å; A329-V336 HydrophobicContact CB-CB 4.26Å; A329-V336 PolarHBondContact N-O 2.93Å; A329-V336 PolarHBondContact O-N 3.32Å
330	N	96.3	Very high	96.3	Very high	49 Å²	49	36.4 Å²	36.4	26%	0.262	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	128.4	-178.7	-176.9	70.8	0	0	0	107.6	H283 A286 F288 H427	H283-N330 HydrophobicContact CB-CB 4.19Å; H283-N330 PolarHBondContact ND1-N 2.86Å; H283-N330 VanDerWaalsContact ND1-N 3.1Å; A286-N330 HydrophobicContact CB-CB 4.01Å; F288-N330 WeakPolarHBondContact CD1-OD1 3.46Å; F288-N330 WeakPolarHBondContact CE1-OD1 3.21Å; N330-H427 PolarHBondContact OD1-CE1 3.26Å; N330-H427 PolarHBondContact OD1-NE2 3.49Å
331	N	92.9	Very high	96.5	Very high	66 Å²	66	31.2 Å²	31.2	35%	0.353	17%	0.172	S	C	.	.			trans	-139.5	-178.8	177.5	66.5	65.1	0	0	0	110	L333 D334 H427	N331-L333 PolarHBondContact O-N 3.32Å; N331-L333 WeakPolarHBondContact OD1-CA 3.38Å; N331-L333 WeakPolarHBondContact OD1-CB 3.44Å; N331-L333 PolarHBondContact OD1-N 2.85Å; N331-D334 PolarHBondContact N-O 2.97Å; N331-D334 PolarHBondContact ND2-O 3Å; N331-D334 VanDerWaalsContact ND2-O 3.12Å; N331-D334 PolarHBondContact ND2-OD1 3.33Å; N331-D334 PolarHBondContact OD1-N 3.19Å; N331-D334 PolarHBondContact OD1-O 3.36Å; N331-D334 VanDerWaalsContact OD1-O 3.11Å; N331-D334 PolarHBondContact OD1-OD1 3.1Å; N331-H427 PolarHBondContact O-CD2 3.35Å; N331-H427 VanDerWaalsContact O-CD2 3.22Å; N331-H427 PolarHBondContact O-NE2 3.14Å
332	D	88.6	Confident	96.6	Very high	104 Å²	104	37.3 Å²	37.3	56%	0.556	19%	0.194	S	C	*	.	S	Bend	trans	-68.9	-17.5	-175.7	-73.9	4.1	0	0	0	114.6	K431	D332-K431 IonicContact OD2-NZ 3.3Å; D332-K431 PolarHBondContact OD2-NZ 2.98Å
333	L	87.8	Confident	96.5	Very high	103 Å²	103	36 Å²	36	54%	0.539	19%	0.187	S	C	.	.	S	Bend	trans	-103.6	-48.8	-174.5	-62	176.1	0	0	0	111.7	N331 H427 K431	N331-L333 PolarHBondContact O-N 3.32Å; N331-L333 WeakPolarHBondContact OD1-CA 3.38Å; N331-L333 WeakPolarHBondContact OD1-CB 3.44Å; N331-L333 PolarHBondContact OD1-N 2.85Å; L333-H427 PolarHBondContact O-N 3.2Å; L333-K431 HydrophobicContact CD2-CB 4.41Å
334	D	92.2	Very high	96.3	Very high	17 Å²	17	35.2 Å²	35.2	9%	0.091	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	170.3	-177.1	60.6	30.3	0	0	0	112.4	N331 R424 L425 H427	N331-D334 PolarHBondContact N-O 2.97Å; N331-D334 PolarHBondContact ND2-O 3Å; N331-D334 VanDerWaalsContact ND2-O 3.12Å; N331-D334 PolarHBondContact ND2-OD1 3.33Å; N331-D334 PolarHBondContact OD1-N 3.19Å; N331-D334 PolarHBondContact OD1-O 3.36Å; N331-D334 VanDerWaalsContact OD1-O 3.11Å; N331-D334 PolarHBondContact OD1-OD1 3.1Å; D334-R424 HydrophobicContact CB-CG 4.16Å; D334-R424 IonicContact OD1-NH1 3.57Å; D334-R424 WeakPolarHBondContact OD2-CD 3.48Å; D334-R424 WeakPolarHBondContact OD2-CG 3.43Å; D334-R424 IonicContact OD2-CZ 2.88Å; D334-R424 IonicContact OD2-NE 3.13Å; D334-R424 IonicContact OD2-NH1 3.72Å; D334-R424 PolarHBondContact OD2-NH1 3.1Å; D334-L425 WeakPolarHBondContact CA-O 3.4Å; D334-L425 VanDerWaalsContact CB-O 3.25Å; D334-L425 WeakPolarHBondContact CB-O 3.35Å; D334-H427 PolarHBondContact O-NE2 3.02Å
335	F	95.4	Very high	96.2	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	148.6	165.5	67.5	-81.6	0	0	0	109.8	F288 F290 L295 A329 I337 L425 H427	F288-F335 HydrophobicContact CE1-CB 4.4Å; F288-F335 HydrophobicContact CE1-CG 4.45Å; F288-F335 AromaticContact CE2-CD1 3.69Å; F288-F335 HydrophobicContact CE2-CD1 3.69Å; F288-F335 AromaticContact CE2-CE1 3.75Å; F288-F335 HydrophobicContact CE2-CE1 3.75Å; F288-F335 HydrophobicContact CE2-CG 4.12Å; F288-F335 HydrophobicContact CE2-CZ 4.23Å; F288-F335 HydrophobicContact CZ-CB 4.01Å; F288-F335 AromaticContact CZ-CD1 3.66Å; F288-F335 HydrophobicContact CZ-CD1 3.66Å; F288-F335 AromaticContact CZ-CD2 3.97Å; F288-F335 HydrophobicContact CZ-CD2 3.97Å; F288-F335 HydrophobicContact CZ-CE1 4.07Å; F288-F335 HydrophobicContact CZ-CE2 4.35Å; F288-F335 AromaticContact CZ-CG 3.59Å; F288-F335 HydrophobicContact CZ-CG 3.59Å; F288-F335 HydrophobicContact CZ-CZ 4.38Å; F290-F335 HydrophobicContact CD1-CE1 4.41Å; F290-F335 HydrophobicContact CD1-CZ 4.06Å; F290-F335 AromaticContact CD2-CE1 3.71Å; F290-F335 HydrophobicContact CD2-CE1 3.71Å; F290-F335 HydrophobicContact CD2-CZ 4.18Å; F290-F335 HydrophobicContact CE1-CE1 4.22Å; F290-F335 AromaticContact CE1-CZ 3.75Å; F290-F335 HydrophobicContact CE1-CZ 3.75Å; F290-F335 AromaticContact CE2-CE1 3.5Å; F290-F335 HydrophobicContact CE2-CE1 3.5Å; F290-F335 AromaticContact CE2-CZ 3.89Å; F290-F335 HydrophobicContact CE2-CZ 3.89Å; F290-F335 HydrophobicContact CG-CE1 4.19Å; F290-F335 HydrophobicContact CG-CZ 4.27Å; F290-F335 AromaticContact CZ-CE1 3.77Å; F290-F335 HydrophobicContact CZ-CE1 3.77Å; F290-F335 AromaticContact CZ-CZ 3.66Å; F290-F335 HydrophobicContact CZ-CZ 3.66Å; L295-F335 HydrophobicContact CD2-CE2 4.45Å; A329-F335 CarbonylContact O-C 3.6Å; A329-F335 VanDerWaalsContact O-CA 3.24Å; A329-F335 WeakPolarHBondContact O-CA 3.48Å; A329-F335 WeakPolarHBondContact O-CB 3.4Å; F335-I337 HydrophobicContact CD2-CD1 4.4Å; F335-I337 HydrophobicContact CD2-CG1 4.27Å; F335-I337 HydrophobicContact CE2-CD1 4.1Å; F335-I337 HydrophobicContact CE2-CG1 4.43Å; F335-L425 HydrophobicContact CD1-CB 4.41Å; F335-L425 WeakPolarHBondContact CD1-O 3.49Å; F335-L425 HydrophobicContact CE1-CB 3.69Å; F335-L425 HydrophobicContact CE2-CB 4.2Å; F335-L425 HydrophobicContact CE2-CD1 4.2Å; F335-L425 HydrophobicContact CZ-CB 3.58Å; F335-L425 HydrophobicContact CZ-CD1 3.79Å; F335-L425 HydrophobicContact CZ-CG 4.28Å; F335-L425 PolarHBondContact N-O 3.32Å; F335-L425 PolarHBondContact O-N 3Å; F335-H427 AromaticContact CD1-CE1 3.68Å
336	V	97.9	Very high	96	Very high	17 Å²	17	35.9 Å²	35.9	10%	0.103	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	131.7	-178.2	-174.8	0	0	0	0	109	A329 Y422 L423 R424	A329-V336 HydrophobicContact CB-CB 4.26Å; A329-V336 PolarHBondContact N-O 2.93Å; A329-V336 PolarHBondContact O-N 3.32Å; V336-Y422 HydrophobicContact CG1-CD1 4.38Å; V336-L423 CarbonylContact C-O 3.55Å; V336-L423 VanDerWaalsContact CA-O 3.28Å; V336-L423 WeakPolarHBondContact CA-O 3.27Å; V336-R424 HydrophobicContact CG2-CB 4.26Å; V336-R424 HydrophobicContact CG2-CG 4.14Å
337	I	98.6	Very high	95.7	Very high	1 Å²	1	38 Å²	38	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	108.3	170.2	-58.4	172.8	0	0	0	106.2	I257 L295 L299 V326 F335 I339 L423	I257-I337 HydrophobicContact CD1-CD1 4.1Å; I257-I337 HydrophobicContact CD1-CG1 4.34Å; I257-I337 HydrophobicContact CD1-CG2 4.01Å; I257-I337 HydrophobicContact CG1-CD1 4.45Å; L295-I337 HydrophobicContact CD2-CD1 4.14Å; L299-I337 HydrophobicContact CD2-CD1 4.12Å; L299-I337 HydrophobicContact CD2-CG2 4.34Å; V326-I337 HydrophobicContact CG1-CG2 3.75Å; F335-I337 HydrophobicContact CD2-CD1 4.4Å; F335-I337 HydrophobicContact CD2-CG1 4.27Å; F335-I337 HydrophobicContact CE2-CD1 4.1Å; F335-I337 HydrophobicContact CE2-CG1 4.43Å; I337-I339 HydrophobicContact CG2-CG1 4.2Å; I337-L423 HydrophobicContact CB-CB 4.44Å; I337-L423 HydrophobicContact CD1-CD2 4.46Å; I337-L423 PolarHBondContact N-O 3.32Å; I337-L423 PolarHBondContact O-N 3.36Å
338	R	98.7	Very high	95.4	Very high	76 Å²	76	43.2 Å²	43.2	29%	0.287	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	128.4	170.6	-176.4	-173.3	65.1	-175.7	-3.7	109	V326 T327 S340 V421 Y422	V326-R338 CarbonylContact C-O 3.58Å; V326-R338 VanDerWaalsContact CA-O 3.24Å; V326-R338 WeakPolarHBondContact CA-O 3.46Å; T327-R338 PolarHBondContact N-O 3.38Å; T327-R338 PolarHBondContact O-N 2.86Å; T327-R338 PolarHBondContact OG1-NH2 3.28Å; R338-S340 PolarHBondContact NE-OG 3.36Å; R338-V421 CarbonylContact C-O 3.41Å; R338-V421 VanDerWaalsContact CA-O 3.29Å; R338-V421 WeakPolarHBondContact CA-O 3.46Å; R338-Y422 HydrophobicContact CB-CD1 4.04Å; R338-Y422 HydrophobicContact CB-CE1 4.11Å; R338-Y422 VanDerWaalsContact CD-CZ 3.44Å; R338-Y422 WeakPolarHBondContact CD-OH 3.39Å; R338-Y422 HydrophobicContact CG-CD1 3.92Å; R338-Y422 HydrophobicContact CG-CE1 3.67Å; R338-Y422 HydrophobicContact CG-CE2 4.37Å; R338-Y422 HydrophobicContact CG-CG 4.37Å
339	I	98.8	Very high	95	Very high	3 Å²	3	49.1 Å²	49.1	2%	0.015	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	115.9	172.7	-57.5	175.1	0	0	0	107.1	L302 L303 A306 V324 V326 I337 D420 V421	L302-I339 HydrophobicContact CB-CD1 3.63Å; L302-I339 HydrophobicContact CD1-CD1 4.05Å; L303-I339 HydrophobicContact CD2-CD1 4.29Å; L303-I339 HydrophobicContact CD2-CG2 4.48Å; L303-I339 HydrophobicContact CG-CD1 4.39Å; A306-I339 HydrophobicContact CB-CG2 4.04Å; V324-I339 HydrophobicContact CG1-CG2 3.82Å; V326-I339 HydrophobicContact CG1-CG1 4.34Å; V326-I339 HydrophobicContact CG2-CG1 4.2Å; V326-I339 HydrophobicContact CG2-CG2 4.46Å; I337-I339 HydrophobicContact CG2-CG1 4.2Å; I339-D420 WeakPolarHBondContact O-CA 3.35Å; I339-V421 PolarHBondContact N-O 3.33Å; I339-V421 PolarHBondContact O-N 3.05Å
340	S	98.7	Very high	94.7	Very high	17 Å²	17	48.8 Å²	48.8	12%	0.119	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	121.2	-175.6	-64.4	0	0	0	0	109.8	V325 R338 T419 D420	V325-S340 PolarHBondContact N-O 2.93Å; V325-S340 PolarHBondContact O-N 3.37Å; R338-S340 PolarHBondContact NE-OG 3.36Å; S340-T419 WeakPolarHBondContact CA-O 3.44Å; S340-D420 WeakPolarHBondContact CA-OD1 3.29Å; S340-D420 WeakPolarHBondContact CB-OD1 3.41Å; S340-D420 PolarHBondContact OG-OD1 3.07Å
341	D	98.4	Very high	94.4	Very high	11 Å²	11	48.9 Å²	48.9	6%	0.059	26%	0.255	C	S	.	.			trans	-110.4	171.1	174.6	68.6	66.3	0	0	0	112.4	A306 V324 G343 G418 T419	A306-D341 HydrophobicContact CB-CB 3.98Å; V324-D341 HydrophobicContact CG2-CB 4.41Å; D341-G343 WeakPolarHBondContact OD1-CA 3.36Å; D341-G343 PolarHBondContact OD1-N 3.39Å; D341-G418 WeakPolarHBondContact O-CA 3.16Å; D341-T419 PolarHBondContact N-O 3.35Å; D341-T419 PolarHBondContact OD1-N 2.92Å; D341-T419 WeakPolarHBondContact OD2-CB 3.46Å
342	R	97.6	Very high	94.3	Very high	142 Å²	142	52.2 Å²	52.2	54%	0.536	27%	0.273	S	S	.	.			trans	-119.4	41.1	169.6	-65.4	-63.7	-176.8	132.1	-2.4	110.2	H314 P322 G344 I417	H314-R342 PolarHBondContact CE1-O 2.96Å; P322-R342 HydrophobicContact CB-CB 3.84Å; P322-R342 HydrophobicContact CB-CG 4.16Å; P322-R342 HydrophobicContact CG-CB 3.54Å; P322-R342 HydrophobicContact CG-CG 4.41Å; R342-G344 VanDerWaalsContact C-N 3.26Å; R342-G344 PolarHBondContact O-N 3.45Å; R342-I417 CarbonylContact C-O 3.28Å; R342-I417 VanDerWaalsContact CA-O 3.23Å; R342-I417 WeakPolarHBondContact CA-O 3.25Å
343	G	95.9	Very high	94.3	Very high	10 Å²	10	52.4 Å²	52.4	10%	0.103	27%	0.269	C	S	.	.	S	Bend	trans	-86	22	-174.2	0	0	0	0	0	115.1	A309 S313 D341 G345	A309-G343 WeakPolarHBondContact O-CA 3.38Å; S313-G343 WeakPolarHBondContact OG-CA 3.41Å; D341-G343 WeakPolarHBondContact OD1-CA 3.36Å; D341-G343 PolarHBondContact OD1-N 3.39Å; G343-G345 VanDerWaalsContact C-N 3.26Å; G343-G345 PolarHBondContact O-N 3.27Å
344	G	94.1	Very high	94.5	Very high	25 Å²	25	48.3 Å²	48.3	26%	0.258	25%	0.248	S	C	.	.			trans	81.2	-6.9	-179.4	0	0	0	0	0	115.5	R342 G416 I417	R342-G344 VanDerWaalsContact C-N 3.26Å; R342-G344 PolarHBondContact O-N 3.45Å; G344-G416 WeakPolarHBondContact O-CA 3.32Å; G344-G416 PolarHBondContact O-N 2.63Å; G344-I417 PolarHBondContact N-O 2.9Å
345	G	94.6	Very high	94.5	Very high	17 Å²	17	48.7 Å²	48.7	18%	0.175	25%	0.25	C	C	.	.			trans	77.4	168.5	175.8	0	0	0	0	0	114.1	G343 G418 T419	G343-G345 VanDerWaalsContact C-N 3.26Å; G343-G345 PolarHBondContact O-N 3.27Å; G345-G418 WeakPolarHBondContact CA-O 3.12Å; G345-T419 WeakPolarHBondContact CA-OG1 3.43Å
346	I	95	Very high	94.3	Very high	26 Å²	26	50.7 Å²	50.7	13%	0.133	26%	0.26	C	S	.	.			trans	-87.8	124.7	175.8	-57.5	168.4	0	0	0	109.3	I350 I351 V354 I411 S413 T419	I346-I350 HydrophobicContact CG2-CD1 4.22Å; I346-I350 HydrophobicContact CG2-CG1 3.83Å; I346-I351 HydrophobicContact CB-CD1 3.81Å; I346-I351 HydrophobicContact CD1-CD1 4.09Å; I346-I351 HydrophobicContact CG2-CB 4.35Å; I346-I351 HydrophobicContact CG2-CD1 3.76Å; I346-V354 HydrophobicContact CD1-CG1 4.27Å; I346-V354 HydrophobicContact CD1-CG2 4.36Å; I346-V354 HydrophobicContact CG2-CG1 3.68Å; I346-I411 HydrophobicContact CD1-CG2 3.79Å; I346-S413 WeakPolarHBondContact CA-OG 3.28Å; I346-S413 PolarHBondContact N-OG 3.11Å; I346-S413 PolarHBondContact O-OG 3.18Å; I346-T419 HydrophobicContact CD1-CG2 4.01Å; I346-T419 HydrophobicContact CG1-CG2 4.37Å
347	P	93.4	Very high	94	Very high	45 Å²	45	50.6 Å²	50.6	29%	0.292	26%	0.258	S	S	.	.			trans	-59	141	175.5	-25.9	34.6	0	0	0	114.2	N349 I350 I351	P347-N349 WeakPolarHBondContact CB-OD1 3.04Å; P347-N349 PolarHBondContact O-N 2.91Å; P347-N349 VanDerWaalsContact O-N 3.11Å; P347-I350 HydrophobicContact CB-CG1 4.15Å; P347-I350 HydrophobicContact CG-CD1 4.39Å; P347-I350 HydrophobicContact CG-CG1 4.39Å; P347-I350 WeakPolarHBondContact O-CG1 3.3Å; P347-I350 PolarHBondContact O-N 2.8Å; P347-I351 PolarHBondContact O-N 2.84Å
348	H	91.2	Very high	93.3	Very high	138 Å²	138	51.5 Å²	51.5	64%	0.639	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-27.4	-176.5	-69.8	94.3	0	0	0	114.2	I350 I351 Q415	H348-I350 VanDerWaalsContact C-N 3.3Å; H348-I350 PolarHBondContact O-N 3.32Å; H348-I351 WeakPolarHBondContact O-CG2 3.27Å; H348-Q415 PolarHBondContact ND1-OE1 3.24Å
349	N	91.3	Very high	92.8	Very high	126 Å²	126	50.1 Å²	50.1	67%	0.674	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-15.7	179.6	65.2	-23.5	0	0	0	114	P347	P347-N349 WeakPolarHBondContact CB-OD1 3.04Å; P347-N349 PolarHBondContact O-N 2.91Å; P347-N349 VanDerWaalsContact O-N 3.11Å
350	I	91.4	Very high	92.1	Very high	31 Å²	31	52.2 Å²	52.2	16%	0.159	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.2	-5.4	-178.7	66.8	165.5	0	0	0	113.8	I346 P347 H348 D352 K353 V354 F359 T361	I346-I350 HydrophobicContact CG2-CD1 4.22Å; I346-I350 HydrophobicContact CG2-CG1 3.83Å; P347-I350 HydrophobicContact CB-CG1 4.15Å; P347-I350 HydrophobicContact CG-CD1 4.39Å; P347-I350 HydrophobicContact CG-CG1 4.39Å; P347-I350 WeakPolarHBondContact O-CG1 3.3Å; P347-I350 PolarHBondContact O-N 2.8Å; H348-I350 VanDerWaalsContact C-N 3.3Å; H348-I350 PolarHBondContact O-N 3.32Å; I350-D352 PolarHBondContact O-N 3.02Å; I350-D352 VanDerWaalsContact O-N 3.17Å; I350-K353 WeakPolarHBondContact O-CA 3.46Å; I350-K353 WeakPolarHBondContact O-CB 3.17Å; I350-K353 PolarHBondContact O-N 2.92Å; I350-V354 WeakPolarHBondContact O-CG1 2.9Å; I350-V354 PolarHBondContact O-N 2.86Å; I350-F359 HydrophobicContact CB-CE1 4.45Å; I350-F359 HydrophobicContact CB-CZ 3.78Å; I350-F359 HydrophobicContact CD1-CE1 4.29Å; I350-F359 HydrophobicContact CD1-CZ 4.03Å; I350-F359 HydrophobicContact CG1-CZ 4.48Å; I350-F359 HydrophobicContact CG2-CZ 4.02Å; I350-T361 HydrophobicContact CD1-CG2 3.76Å
351	I	90.4	Very high	91.2	Very high	51 Å²	51	53.6 Å²	53.6	26%	0.262	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-38.2	-177.6	-166	74.3	0	0	0	112.6	I346 P347 H348 K353 V354	I346-I351 HydrophobicContact CB-CD1 3.81Å; I346-I351 HydrophobicContact CD1-CD1 4.09Å; I346-I351 HydrophobicContact CG2-CB 4.35Å; I346-I351 HydrophobicContact CG2-CD1 3.76Å; P347-I351 PolarHBondContact O-N 2.84Å; H348-I351 WeakPolarHBondContact O-CG2 3.27Å; I351-K353 VanDerWaalsContact C-N 3.3Å; I351-K353 PolarHBondContact O-N 2.79Å; I351-V354 WeakPolarHBondContact O-CG2 3.08Å
352	D	89.4	Confident	90.1	Very high	137 Å²	137	53.1 Å²	53.1	73%	0.733	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-22.3	-180	-61.9	-39	0	0	0	112.6	I350	I350-D352 PolarHBondContact O-N 3.02Å; I350-D352 VanDerWaalsContact O-N 3.17Å
353	K	90.3	Very high	88.7	Confident	108 Å²	108	51.8 Å²	51.8	47%	0.47	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-20.7	-176	-59	-177.5	-179.2	177.8	0	113.6	I350 I351 M355 D356 F359	I350-K353 WeakPolarHBondContact O-CA 3.46Å; I350-K353 WeakPolarHBondContact O-CB 3.17Å; I350-K353 PolarHBondContact O-N 2.92Å; I351-K353 VanDerWaalsContact C-N 3.3Å; I351-K353 PolarHBondContact O-N 2.79Å; K353-M355 PolarHBondContact O-N 2.91Å; K353-D356 WeakPolarHBondContact O-CB 3.21Å; K353-D356 PolarHBondContact O-N 2.74Å; K353-F359 HydrophobicContact CB-CD1 4.35Å; K353-F359 HydrophobicContact CB-CD2 3.67Å; K353-F359 HydrophobicContact CB-CE1 4.38Å; K353-F359 HydrophobicContact CB-CE2 3.71Å; K353-F359 HydrophobicContact CB-CG 4Å; K353-F359 HydrophobicContact CB-CZ 4.09Å; K353-F359 HydrophobicContact CD-CD2 4.37Å; K353-F359 HydrophobicContact CD-CE2 4.04Å; K353-F359 VanDerWaalsContact O-CB 3.25Å; K353-F359 WeakPolarHBondContact O-CB 3.27Å; K353-F359 WeakPolarHBondContact O-CD1 3.32Å; K353-F359 VanDerWaalsContact O-CG 3.26Å; K353-F359 WeakPolarHBondContact O-CG 3.49Å
354	V	92.1	Very high	87.1	Confident	16 Å²	16	58.2 Å²	58.2	10%	0.097	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-16.7	-178.8	-51.9	0	0	0	0	113.5	I346 I350 I351 F359 L395 I411	I346-V354 HydrophobicContact CD1-CG1 4.27Å; I346-V354 HydrophobicContact CD1-CG2 4.36Å; I346-V354 HydrophobicContact CG2-CG1 3.68Å; I350-V354 WeakPolarHBondContact O-CG1 2.9Å; I350-V354 PolarHBondContact O-N 2.86Å; I351-V354 WeakPolarHBondContact O-CG2 3.08Å; V354-F359 HydrophobicContact CG1-CD1 4.45Å; V354-F359 HydrophobicContact CG1-CE1 3.99Å; V354-L395 HydrophobicContact CB-CD1 4.03Å; V354-L395 HydrophobicContact CG2-CD1 4.13Å; V354-I411 HydrophobicContact CG2-CD1 4.13Å
355	M	92.1	Very high	85.4	Confident	25 Å²	25	58.1 Å²	58.1	12%	0.123	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	2.7	179.3	-75.5	-60.2	-171.4	0	0	113.8	R213 K353 L395 P396 R399 I411	R213-M355 PolarHBondContact NH1-O 3.31Å; K353-M355 PolarHBondContact O-N 2.91Å; M355-L395 HydrophobicContact SD-CB 4.39Å; M355-P396 WeakPolarHBondContact O-CB 3.37Å; M355-R399 VanDerWaalsContact CB-NH1 3.34Å; M355-R399 PolarHBondContact O-NH2 3.44Å; M355-I411 HydrophobicContact CE-CD1 3.41Å; M355-I411 VanDerWaalsContact CE-CD1 3.41Å; M355-I411 HydrophobicContact CE-CG1 3.71Å; M355-I411 HydrophobicContact SD-CD1 4.48Å
356	D	91.3	Very high	83.7	Confident	42 Å²	42	59.4 Å²	59.4	23%	0.225	31%	0.31	C	S	.	.	S	Bend	trans	-93.7	140.3	176.5	-63.2	-30.9	0	0	0	110.3	R213 K353 F359	R213-D356 IonicContact NH1-OD1 3.6Å; R213-D356 PolarHBondContact NH1-OD1 3.31Å; K353-D356 WeakPolarHBondContact O-CB 3.21Å; K353-D356 PolarHBondContact O-N 2.74Å; D356-F359 HydrophobicContact CB-CB 4.38Å; D356-F359 WeakPolarHBondContact O-CB 3.46Å; D356-F359 PolarHBondContact O-N 2.79Å
357	Y	89.9	Confident	81.8	Confident	15 Å²	15	65.7 Å²	65.7	6%	0.059	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	144.4	172.1	-68.8	-81.2	0	0	0	109.8	R213 L216 D217 L220 F359 F393 P396	R213-Y357 HydrophobicContact CG-CD2 4.34Å; R213-Y357 HydrophobicContact CG-CE2 4.25Å; L216-Y357 HydrophobicContact CB-CD2 4.04Å; L216-Y357 HydrophobicContact CB-CE1 4.21Å; L216-Y357 HydrophobicContact CB-CE2 3.66Å; L216-Y357 HydrophobicContact CB-CG 4.46Å; L216-Y357 HydrophobicContact CD1-CD1 3.72Å; L216-Y357 HydrophobicContact CD1-CD2 3.64Å; L216-Y357 HydrophobicContact CD1-CE1 4.19Å; L216-Y357 HydrophobicContact CD1-CE2 4.13Å; L216-Y357 HydrophobicContact CD1-CG 3.41Å; L216-Y357 VanDerWaalsContact CD1-CG 3.41Å; L216-Y357 HydrophobicContact CG-CD2 4.49Å; D217-Y357 WeakPolarHBondContact OD1-CE2 3.15Å; D217-Y357 VanDerWaalsContact OD1-CZ 3.3Å; D217-Y357 PolarHBondContact OD1-OH 2.91Å; L220-Y357 HydrophobicContact CD1-CE1 3.84Å; Y357-F359 PolarHBondContact O-N 3.18Å; Y357-F359 VanDerWaalsContact O-N 3.15Å; Y357-F393 AromaticContact CD1-CD1 3.68Å; Y357-F393 HydrophobicContact CD1-CD1 3.68Å; Y357-F393 HydrophobicContact CD1-CD2 4.08Å; Y357-F393 AromaticContact CD1-CE1 3.67Å; Y357-F393 HydrophobicContact CD1-CE1 3.67Å; Y357-F393 HydrophobicContact CD1-CE2 4.05Å; Y357-F393 AromaticContact CD1-CG 3.89Å; Y357-F393 HydrophobicContact CD1-CG 3.89Å; Y357-F393 AromaticContact CD1-CZ 3.85Å; Y357-F393 HydrophobicContact CD1-CZ 3.85Å; Y357-F393 AromaticContact CE1-CD1 3.86Å; Y357-F393 HydrophobicContact CE1-CD1 3.86Å; Y357-F393 HydrophobicContact CE1-CE1 4.02Å; Y357-F393 HydrophobicContact CE1-CG 4.37Å; Y357-F393 HydrophobicContact CG-CZ 4.46Å; Y357-P396 HydrophobicContact CD1-CB 3.91Å; Y357-P396 HydrophobicContact CD1-CG 3.61Å; Y357-P396 HydrophobicContact CD2-CB 4.11Å; Y357-P396 HydrophobicContact CE1-CB 3.71Å; Y357-P396 HydrophobicContact CE1-CG 3.78Å; Y357-P396 HydrophobicContact CE2-CB 3.92Å; Y357-P396 HydrophobicContact CG-CB 4.1Å; Y357-P396 HydrophobicContact CG-CG 4.01Å
358	H	85.6	Confident	80.1	Confident	20 Å²	20	65.2 Å²	65.2	9%	0.093	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.5	2.5	-178.3	-51.9	88.8	0	0	0	115.7	A196 F199 R200 R203 F391 G392 F393	A196-H358 PolarHBondContact O-NE2 3.04Å; F199-H358 WeakPolarHBondContact CB-CE1 3.44Å; R200-H358 PolarHBondContact N-NE2 2.74Å; R203-H358 PolarHBondContact NH1-O 3.31Å; H358-F391 WeakPolarHBondContact CA-O 3.49Å; H358-G392 PolarHBondContact N-O 3.12Å; H358-F393 AromaticContact CD2-CE2 3.84Å; H358-F393 AromaticContact CE1-CE2 3.41Å; H358-F393 VanDerWaalsContact CE1-CE2 3.41Å; H358-F393 WeakPolarHBondContact CE1-CE2 3.44Å; H358-F393 AromaticContact CE1-CZ 3.59Å; H358-F393 AromaticContact ND1-CE2 3.79Å; H358-F393 AromaticContact NE2-CE2 3.46Å; H358-F393 WeakPolarHBondContact NE2-CE2 3.26Å; H358-F393 AromaticContact NE2-CZ 3.88Å
359	F	86.5	Confident	78.4	Confident	48 Å²	48	63.5 Å²	63.5	21%	0.211	34%	0.336	C	S	.	.			trans	-79	126.4	167.1	-177	-92.3	0	0	0	110.1	I350 K353 V354 D356 Y357 T361 G392	I350-F359 HydrophobicContact CB-CE1 4.45Å; I350-F359 HydrophobicContact CB-CZ 3.78Å; I350-F359 HydrophobicContact CD1-CE1 4.29Å; I350-F359 HydrophobicContact CD1-CZ 4.03Å; I350-F359 HydrophobicContact CG1-CZ 4.48Å; I350-F359 HydrophobicContact CG2-CZ 4.02Å; K353-F359 HydrophobicContact CB-CD1 4.35Å; K353-F359 HydrophobicContact CB-CD2 3.67Å; K353-F359 HydrophobicContact CB-CE1 4.38Å; K353-F359 HydrophobicContact CB-CE2 3.71Å; K353-F359 HydrophobicContact CB-CG 4Å; K353-F359 HydrophobicContact CB-CZ 4.09Å; K353-F359 HydrophobicContact CD-CD2 4.37Å; K353-F359 HydrophobicContact CD-CE2 4.04Å; K353-F359 VanDerWaalsContact O-CB 3.25Å; K353-F359 WeakPolarHBondContact O-CB 3.27Å; K353-F359 WeakPolarHBondContact O-CD1 3.32Å; K353-F359 VanDerWaalsContact O-CG 3.26Å; K353-F359 WeakPolarHBondContact O-CG 3.49Å; V354-F359 HydrophobicContact CG1-CD1 4.45Å; V354-F359 HydrophobicContact CG1-CE1 3.99Å; D356-F359 HydrophobicContact CB-CB 4.38Å; D356-F359 WeakPolarHBondContact O-CB 3.46Å; D356-F359 PolarHBondContact O-N 2.79Å; Y357-F359 PolarHBondContact O-N 3.18Å; Y357-F359 VanDerWaalsContact O-N 3.15Å; F359-T361 HydrophobicContact CE1-CG2 4.22Å; F359-T361 HydrophobicContact CZ-CG2 4.22Å; F359-G392 VanDerWaalsContact O-CA 3.29Å; F359-G392 WeakPolarHBondContact O-CA 3.25Å
360	S	84.2	Confident	77	Confident	46 Å²	46	63.6 Å²	63.6	32%	0.322	33%	0.326	S	S	.	.			trans	-156	130.5	176.9	-175.9	0	0	0	0	110.8	A362	S360-A362 WeakPolarHBondContact OG-CA 3.31Å; S360-A362 PolarHBondContact OG-N 2.9Å
361	T	81.2	Confident	75.2	Confident	46 Å²	46	62.4 Å²	62.4	28%	0.282	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-3.7	169.8	56.3	0	0	0	0	112.8	I350 F359 E363 E364 S365	I350-T361 HydrophobicContact CD1-CG2 3.76Å; F359-T361 HydrophobicContact CE1-CG2 4.22Å; F359-T361 HydrophobicContact CZ-CG2 4.22Å; T361-E363 PolarHBondContact O-N 3.46Å; T361-E364 PolarHBondContact O-N 3.24Å; T361-S365 PolarHBondContact O-N 2.99Å; T361-S365 VanDerWaalsContact O-N 3.17Å; T361-S365 PolarHBondContact O-OG 3.28Å
362	A	75.7	Confident	73.1	Confident	2 Å²	2	62.3 Å²	62.3	2%	0.017	32%	0.324	C	S	.	.	H	α-helix	trans	5.7	-90.6	142.5	0	0	0	0	0	119	R308 S360 E364 S365 A366 H389	R308-A362 VanDerWaalsContact NH2-CB 3.27Å; S360-A362 WeakPolarHBondContact OG-CA 3.31Å; S360-A362 PolarHBondContact OG-N 2.9Å; A362-E364 VanDerWaalsContact C-N 3.33Å; A362-E364 PolarHBondContact O-N 3.15Å; A362-S365 PolarHBondContact O-N 3.36Å; A362-A366 PolarHBondContact O-N 3.35Å; A362-H389 HydrophobicContact CB-CB 3.93Å; A362-H389 WeakPolarHBondContact CB-CD2 3.33Å; A362-H389 VanDerWaalsContact CB-NE2 3.32Å; A362-H389 WeakPolarHBondContact CB-NE2 3.42Å
363	E	66.8	Low	71.1	Confident	114 Å²	114	61.3 Å²	61.3	53%	0.533	32%	0.319	S	S	.	.	H	α-helix	trans	-72.9	-30.7	-163.8	-63.5	176	172.3	0	0	111	R200 T361 A366 Q367	R200-E363 IonicContact CZ-OE1 3.05Å; R200-E363 IonicContact NH1-OE1 3.33Å; R200-E363 IonicContact NH2-OE1 3.66Å; R200-E363 PolarHBondContact NH2-OE1 3.33Å; T361-E363 PolarHBondContact O-N 3.46Å; E363-A366 PolarHBondContact O-N 2.96Å; E363-Q367 WeakPolarHBondContact O-CG 3Å; E363-Q367 PolarHBondContact O-N 3.13Å
364	E	62	Low	69.2	Low	144 Å²	144	60.1 Å²	60.1	67%	0.673	31%	0.314	S	S	*	.	H	α-helix	trans	-64.4	-40.8	173	-63.3	177.6	173.4	0	0	111.4	T361 A362 A366 Q367	T361-E364 PolarHBondContact O-N 3.24Å; A362-E364 VanDerWaalsContact C-N 3.33Å; A362-E364 PolarHBondContact O-N 3.15Å; E364-A366 VanDerWaalsContact C-N 3.34Å; E364-A366 PolarHBondContact O-N 3.12Å; E364-Q367 PolarHBondContact O-N 2.82Å
365	S	59.5	Low	66.9	Low	23 Å²	23	62.6 Å²	62.6	16%	0.161	32%	0.323	C	S	.	.	H	α-helix	trans	-70.5	-31.9	179.4	-51.3	0	0	0	0	112.1	R308 E312 T361 A362 Q367 D368 M371	R308-S365 PolarHBondContact NH2-OG 3.36Å; R308-S365 VanDerWaalsContact NH2-OG 3.12Å; E312-S365 PolarHBondContact OE2-OG 3.06Å; T361-S365 PolarHBondContact O-N 2.99Å; T361-S365 VanDerWaalsContact O-N 3.17Å; T361-S365 PolarHBondContact O-OG 3.28Å; A362-S365 PolarHBondContact O-N 3.36Å; S365-Q367 VanDerWaalsContact C-N 3.28Å; S365-Q367 PolarHBondContact O-N 2.95Å; S365-D368 WeakPolarHBondContact O-CB 3.46Å; S365-D368 PolarHBondContact O-N 2.9Å; S365-M371 VanDerWaalsContact O-CE 3.26Å; S365-M371 WeakPolarHBondContact O-CE 3.25Å
366	A	58.8	Low	64.5	Low	44 Å²	44	65.7 Å²	65.7	36%	0.364	34%	0.34	S	S	.	.	H	α-helix	trans	-71.6	-21.9	176.7	0	0	0	0	0	113.4	A362 E363 E364 D368 F375	A362-A366 PolarHBondContact O-N 3.35Å; E363-A366 PolarHBondContact O-N 2.96Å; E364-A366 VanDerWaalsContact C-N 3.34Å; E364-A366 PolarHBondContact O-N 3.12Å; A366-D368 VanDerWaalsContact C-N 3.35Å; A366-F375 HydrophobicContact CB-CE2 4.41Å
367	Q	55.8	Low	62.2	Low	158 Å²	158	69.5 Å²	69.5	74%	0.738	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-8.5	176.5	-69.7	175.2	15.9	0	0	113.2	E363 E364 S365 P369	E363-Q367 WeakPolarHBondContact O-CG 3Å; E363-Q367 PolarHBondContact O-N 3.13Å; E364-Q367 PolarHBondContact O-N 2.82Å; S365-Q367 VanDerWaalsContact C-N 3.28Å; S365-Q367 PolarHBondContact O-N 2.95Å; Q367-P369 WeakPolarHBondContact O-CD 3.21Å
368	D	57.2	Low	60.1	Low	36 Å²	36	71.1 Å²	71.1	19%	0.193	37%	0.37	C	S	.	.			trans	-64.9	121.1	175.2	-170.2	-34	0	0	0	109.7	S365 A366 R370 M371 S372	S365-D368 WeakPolarHBondContact O-CB 3.46Å; S365-D368 PolarHBondContact O-N 2.9Å; A366-D368 VanDerWaalsContact C-N 3.35Å; D368-R370 PolarHBondContact O-N 3.17Å; D368-R370 VanDerWaalsContact OD1-CB 3.28Å; D368-R370 WeakPolarHBondContact OD1-CB 3.43Å; D368-R370 WeakPolarHBondContact OD1-CG 3.41Å; D368-R370 PolarHBondContact OD1-N 3.24Å; D368-R370 IonicContact OD1-NE 3.99Å; D368-R370 PolarHBondContact OD1-NE 3.17Å; D368-R370 VanDerWaalsContact OD1-NE 3.14Å; D368-R370 IonicContact OD2-CZ 3.34Å; D368-R370 IonicContact OD2-NE 2.79Å; D368-R370 PolarHBondContact OD2-NE 3.43Å; D368-R370 VanDerWaalsContact OD2-NE 3.17Å; D368-R370 IonicContact OD2-NH2 2.7Å; D368-R370 PolarHBondContact OD2-NH2 3.39Å; D368-M371 HydrophobicContact CB-CB 4.18Å; D368-M371 WeakPolarHBondContact O-CA 3.44Å; D368-M371 WeakPolarHBondContact O-CB 3.37Å; D368-M371 PolarHBondContact O-N 3.15Å; D368-S372 PolarHBondContact O-N 3.23Å
369	P	55.9	Low	58	Low	102 Å²	102	75.4 Å²	75.4	66%	0.662	40%	0.398	S	S	*	.	H	α-helix	trans	-55	-28.3	179.4	-24.9	33.5	0	0	0	113.4	Q367 M371 S372	Q367-P369 WeakPolarHBondContact O-CD 3.21Å; P369-M371 VanDerWaalsContact C-N 3.31Å; P369-S372 WeakPolarHBondContact O-CB 3.46Å; P369-S372 PolarHBondContact O-N 3.34Å
370	R	60.4	Low	55.7	Low	127 Å²	127	80.3 Å²	80.3	48%	0.479	43%	0.426	S	S	.	.	H	α-helix	trans	-69	-31	175.9	-59.8	175.9	-67	171.9	1.2	112	L315 D368 F374	L315-R370 HydrophobicContact CD1-CB 4.2Å; D368-R370 PolarHBondContact O-N 3.17Å; D368-R370 VanDerWaalsContact OD1-CB 3.28Å; D368-R370 WeakPolarHBondContact OD1-CB 3.43Å; D368-R370 WeakPolarHBondContact OD1-CG 3.41Å; D368-R370 PolarHBondContact OD1-N 3.24Å; D368-R370 IonicContact OD1-NE 3.99Å; D368-R370 PolarHBondContact OD1-NE 3.17Å; D368-R370 VanDerWaalsContact OD1-NE 3.14Å; D368-R370 IonicContact OD2-CZ 3.34Å; D368-R370 IonicContact OD2-NE 2.79Å; D368-R370 PolarHBondContact OD2-NE 3.43Å; D368-R370 VanDerWaalsContact OD2-NE 3.17Å; D368-R370 IonicContact OD2-NH2 2.7Å; D368-R370 PolarHBondContact OD2-NH2 3.39Å; R370-F374 WeakPolarHBondContact O-CD2 3.43Å; R370-F374 WeakPolarHBondContact O-CE2 3.41Å
371	M	55.1	Low	53.4	Low	7 Å²	7	81.9 Å²	81.9	3%	0.034	44%	0.437	C	S	.	.	H	α-helix	trans	-82.3	-29.4	177	-145.3	89.4	73.9	0	0	111.9	Y272 E312 L315 S365 D368 P369 N373 F374 F375	Y272-M371 HydrophobicContact CE1-SD 4.09Å; E312-M371 HydrophobicContact CB-CE 4.41Å; E312-M371 HydrophobicContact CG-CE 3.83Å; E312-M371 HydrophobicContact CG-SD 4.49Å; L315-M371 HydrophobicContact CD1-CE 4.3Å; L315-M371 HydrophobicContact CD1-SD 4.44Å; L315-M371 HydrophobicContact CD2-CE 4.45Å; L315-M371 HydrophobicContact CD2-SD 3.8Å; S365-M371 VanDerWaalsContact O-CE 3.26Å; S365-M371 WeakPolarHBondContact O-CE 3.25Å; D368-M371 HydrophobicContact CB-CB 4.18Å; D368-M371 WeakPolarHBondContact O-CA 3.44Å; D368-M371 WeakPolarHBondContact O-CB 3.37Å; D368-M371 PolarHBondContact O-N 3.15Å; P369-M371 VanDerWaalsContact C-N 3.31Å; M371-N373 VanDerWaalsContact C-N 3.27Å; M371-N373 PolarHBondContact O-N 2.85Å; M371-F374 WeakPolarHBondContact O-CB 3.44Å; M371-F374 PolarHBondContact O-N 3.5Å; M371-F375 HydrophobicContact CG-CD2 4.01Å; M371-F375 HydrophobicContact CG-CE2 3.77Å; M371-F375 WeakPolarHBondContact O-CD2 3.29Å; M371-F375 PolarHBondContact O-N 3.22Å; M371-F375 VanDerWaalsContact O-N 3.14Å
372	S	45.9	Very low	51.1	Low	48 Å²	48	83.5 Å²	83.5	34%	0.336	46%	0.463	S	S	.	.	H	α-helix	trans	-56.6	-36.5	-179.3	-174.7	0	0	0	0	113.4	D368 P369 F374 F375 N376	D368-S372 PolarHBondContact O-N 3.23Å; P369-S372 WeakPolarHBondContact O-CB 3.46Å; P369-S372 PolarHBondContact O-N 3.34Å; S372-F374 VanDerWaalsContact C-N 3.32Å; S372-F374 PolarHBondContact O-N 3.41Å; S372-F375 PolarHBondContact O-N 3.38Å; S372-N376 PolarHBondContact O-N 3.46Å
373	N	47.9	Very low	49.2	Very low	117 Å²	117	90 Å²	90	63%	0.626	50%	0.497	S	S	*	.	H	α-helix	trans	-68.5	-27.6	176.1	-72.9	-16.9	0	0	0	113.4	M371	M371-N373 VanDerWaalsContact C-N 3.27Å; M371-N373 PolarHBondContact O-N 2.85Å
374	F	48.5	Very low	48.1	Very low	82 Å²	82	94 Å²	94	36%	0.36	52%	0.516	S	S	.	.	H	α-helix	trans	-77.2	-37.7	173.9	-65.9	-86.4	0	0	0	111.4	R370 M371 S372	R370-F374 WeakPolarHBondContact O-CD2 3.43Å; R370-F374 WeakPolarHBondContact O-CE2 3.41Å; M371-F374 WeakPolarHBondContact O-CB 3.44Å; M371-F374 PolarHBondContact O-N 3.5Å; S372-F374 VanDerWaalsContact C-N 3.32Å; S372-F374 PolarHBondContact O-N 3.41Å
375	F	44.7	Very low	47.2	Very low	68 Å²	68	89.2 Å²	89.2	30%	0.298	50%	0.499	S	S	.	.	H	α-helix	trans	-70.7	-34.5	176.9	-84.6	-82	0	0	0	113.7	A366 M371 S372 N377 I378 T379	A366-F375 HydrophobicContact CB-CE2 4.41Å; M371-F375 HydrophobicContact CG-CD2 4.01Å; M371-F375 HydrophobicContact CG-CE2 3.77Å; M371-F375 WeakPolarHBondContact O-CD2 3.29Å; M371-F375 PolarHBondContact O-N 3.22Å; M371-F375 VanDerWaalsContact O-N 3.14Å; S372-F375 PolarHBondContact O-N 3.38Å; F375-N377 VanDerWaalsContact C-N 3.28Å; F375-N377 PolarHBondContact O-N 3.48Å; F375-I378 WeakPolarHBondContact O-CB 3.34Å; F375-I378 PolarHBondContact O-N 3.29Å; F375-I378 VanDerWaalsContact O-N 3.07Å; F375-T379 PolarHBondContact O-N 3.39Å
376	N	42	Very low	46.9	Very low	90 Å²	90	90.7 Å²	90.7	48%	0.481	51%	0.509	S	S	.	.	H	α-helix	trans	-68.6	-23.1	179	-80.5	-22.7	0	0	0	113.8	S372 I378 T379	S372-N376 PolarHBondContact O-N 3.46Å; N376-I378 VanDerWaalsContact C-N 3.33Å; N376-T379 PolarHBondContact O-OG1 3.24Å
377	N	42.2	Very low	47	Very low	123 Å²	123	92.4 Å²	92.4	66%	0.658	52%	0.516	S	S	*	.	H	α-helix	trans	-77.4	-19.6	171.6	-79.1	-18.7	0	0	0	112.8	F375 S381	F375-N377 VanDerWaalsContact C-N 3.28Å; F375-N377 PolarHBondContact O-N 3.48Å; N377-S381 PolarHBondContact O-OG 2.7Å
378	I	46.5	Very low	47.5	Very low	49 Å²	49	85 Å²	85	25%	0.251	48%	0.482	S	S	.	.	H	α-helix	trans	-84	-32.7	-179.7	-70.5	167.7	0	0	0	111.6	F375 N376 N380 S381	F375-I378 WeakPolarHBondContact O-CB 3.34Å; F375-I378 PolarHBondContact O-N 3.29Å; F375-I378 VanDerWaalsContact O-N 3.07Å; N376-I378 VanDerWaalsContact C-N 3.33Å; I378-N380 PolarHBondContact O-N 3.13Å; I378-S381 PolarHBondContact O-N 3.45Å; I378-S381 VanDerWaalsContact O-N 3.07Å
379	T	41.8	Very low	47.9	Very low	110 Å²	110	85.5 Å²	85.5	68%	0.675	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-16.6	-179.2	53.7	0	0	0	0	114.2	F375 N376	F375-T379 PolarHBondContact O-N 3.39Å; N376-T379 PolarHBondContact O-OG1 3.24Å
380	N	37.1	Very low	48.6	Very low	150 Å²	150	82.9 Å²	82.9	80%	0.802	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-8.2	172.3	-84.1	-33.5	0	0	0	114	I378	I378-N380 PolarHBondContact O-N 3.13Å
381	S	36.5	Very low	49.3	Very low	79 Å²	79	80.4 Å²	80.4	55%	0.552	47%	0.467	S	S	*	.	S	Bend	trans	-107.2	92.2	-176.6	-53.6	0	0	0	0	109.2	N377 I378 N383	N377-S381 PolarHBondContact O-OG 2.7Å; I378-S381 PolarHBondContact O-N 3.45Å; I378-S381 VanDerWaalsContact O-N 3.07Å; S381-N383 PolarHBondContact O-N 2.96Å
382	G	33.1	Very low	50.6	Low	80 Å²	80	80.8 Å²	80.8	83%	0.825	47%	0.473	S	S	*	.			trans	-64.3	32.6	-170	0	0	0	0	0	118.7
383	N	35.8	Very low	52.7	Low	139 Å²	139	79.4 Å²	79.4	74%	0.743	46%	0.461	S	S	*	.			trans	-111.4	113	169.2	-95.9	10.5	0	0	0	109.9	S381 S385	S381-N383 PolarHBondContact O-N 2.96Å; N383-S385 VanDerWaalsContact C-N 3.32Å; N383-S385 PolarHBondContact O-N 3.35Å
384	Q	43	Very low	54.7	Low	199 Å²	199	74.4 Å²	74.4	93%	0.93	44%	0.437	S	S	*	.			trans	-67.7	84.4	176	-63.6	-175.6	8.3	0	0	110.5
385	S	43.8	Very low	56.9	Low	43 Å²	43	71.7 Å²	71.7	30%	0.301	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-71.5	133.9	168.8	57.5	0	0	0	0	110	H270 N383	H270-S385 VanDerWaalsContact CE1-CB 3.44Å; H270-S385 WeakPolarHBondContact CE1-CB 3.47Å; H270-S385 PolarHBondContact CE1-OG 3.27Å; H270-S385 PolarHBondContact ND1-OG 3.33Å; N383-S385 VanDerWaalsContact C-N 3.32Å; N383-S385 PolarHBondContact O-N 3.35Å
386	S	53.4	Low	59.3	Low	54 Å²	54	68.6 Å²	68.6	38%	0.378	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-58.5	125.8	174.2	-67.1	0	0	0	0	110.1
387	P	60.6	Low	61.8	Low	79 Å²	79	65 Å²	65	51%	0.513	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-63.1	147.6	-174.1	20.5	-29.3	0	0	0	112	H389	P387-H389 PolarHBondContact O-N 3.49Å; P387-H389 VanDerWaalsContact O-N 3.09Å
388	M	65.7	Low	64.3	Low	3 Å²	3	59.2 Å²	59.2	2%	0.015	36%	0.363	C	S	.	.	S	Bend	trans	-63.7	-15.8	-178.1	-169.8	159.6	168.9	0	0	113.5	C268 Q271 Y272 K304 M307 R308	C268-M388 VanDerWaalsContact CA-SD 3.53Å; C268-M388 HydrophobicContact CB-CE 3.56Å; C268-M388 HydrophobicContact CB-SD 3.82Å; Q271-M388 HydrophobicContact CB-SD 4.46Å; Q271-M388 HydrophobicContact CG-CB 4.49Å; Y272-M388 HydrophobicContact CD2-SD 3.91Å; Y272-M388 HydrophobicContact CE2-CE 4.24Å; Y272-M388 HydrophobicContact CE2-SD 3.43Å; Y272-M388 WeakPolarHBondContact CE2-SD 3.33Å; K304-M388 WeakPolarHBondContact O-CE 3.49Å; M307-M388 HydrophobicContact CB-CE 3.48Å; M307-M388 VanDerWaalsContact CB-CE 3.48Å; R308-M388 HydrophobicContact CB-CE 3.94Å
389	H	65.9	Low	66.7	Low	46 Å²	46	58.2 Å²	58.2	21%	0.213	36%	0.356	C	S	.	.	S	Bend	trans	-124.3	137.9	172.3	57.1	-88.4	0	0	0	109.5	A362 P387	A362-H389 HydrophobicContact CB-CB 3.93Å; A362-H389 WeakPolarHBondContact CB-CD2 3.33Å; A362-H389 VanDerWaalsContact CB-NE2 3.32Å; A362-H389 WeakPolarHBondContact CB-NE2 3.42Å; P387-H389 PolarHBondContact O-N 3.49Å; P387-H389 VanDerWaalsContact O-N 3.09Å
390	G	70.9	Confident	69.3	Low	47 Å²	47	53.2 Å²	53.2	49%	0.485	33%	0.326	S	S	.	.			trans	-98.2	-153.4	176.6	0	0	0	0	0	112.8	G392	G390-G392 PolarHBondContact O-N 3.42Å
391	F	75.8	Confident	72	Confident	76 Å²	76	46.2 Å²	46.2	33%	0.333	29%	0.288	S	S	.	.	S	Bend	trans	-72.9	19.5	179.8	-62.2	-83	0	0	0	115.1	T193 A196 H358 F393	T193-F391 HydrophobicContact CG2-CE2 4.06Å; A196-F391 HydrophobicContact CB-CB 3.79Å; A196-F391 HydrophobicContact CB-CD2 3.9Å; A196-F391 HydrophobicContact CB-CG 3.88Å; H358-F391 WeakPolarHBondContact CA-O 3.49Å; F391-F393 HydrophobicContact CB-CD2 4.09Å
392	G	82.5	Confident	74.8	Confident	15 Å²	15	42.5 Å²	42.5	16%	0.155	26%	0.262	C	S	.	.	S	Bend	trans	71.4	35.8	-174.7	0	0	0	0	0	113.6	H358 F359 G390	H358-G392 PolarHBondContact N-O 3.12Å; F359-G392 VanDerWaalsContact O-CA 3.29Å; F359-G392 WeakPolarHBondContact O-CA 3.25Å; G390-G392 PolarHBondContact O-N 3.42Å
393	F	89.4	Confident	77.7	Confident	18 Å²	18	43.7 Å²	43.7	8%	0.079	25%	0.246	C	C	.	.			trans	-102.9	-17.5	179.5	-90.6	-122.1	0	0	0	113.6	V192 A196 L216 L220 Y357 H358 F391 P396 T397	V192-F393 HydrophobicContact CG1-CD1 4.28Å; A196-F393 HydrophobicContact CB-CD1 4.33Å; A196-F393 HydrophobicContact CB-CD2 3.88Å; A196-F393 HydrophobicContact CB-CE1 4.03Å; A196-F393 HydrophobicContact CB-CE2 3.57Å; A196-F393 HydrophobicContact CB-CG 4.27Å; A196-F393 HydrophobicContact CB-CZ 3.66Å; L216-F393 HydrophobicContact CD1-CE1 4.02Å; L216-F393 HydrophobicContact CD1-CZ 3.77Å; L216-F393 HydrophobicContact CD2-CE1 4.16Å; L216-F393 HydrophobicContact CD2-CZ 4.39Å; L220-F393 HydrophobicContact CD1-CD1 4.36Å; L220-F393 HydrophobicContact CD1-CE1 4.44Å; Y357-F393 AromaticContact CD1-CD1 3.68Å; Y357-F393 HydrophobicContact CD1-CD1 3.68Å; Y357-F393 HydrophobicContact CD1-CD2 4.08Å; Y357-F393 AromaticContact CD1-CE1 3.67Å; Y357-F393 HydrophobicContact CD1-CE1 3.67Å; Y357-F393 HydrophobicContact CD1-CE2 4.05Å; Y357-F393 AromaticContact CD1-CG 3.89Å; Y357-F393 HydrophobicContact CD1-CG 3.89Å; Y357-F393 AromaticContact CD1-CZ 3.85Å; Y357-F393 HydrophobicContact CD1-CZ 3.85Å; Y357-F393 AromaticContact CE1-CD1 3.86Å; Y357-F393 HydrophobicContact CE1-CD1 3.86Å; Y357-F393 HydrophobicContact CE1-CE1 4.02Å; Y357-F393 HydrophobicContact CE1-CG 4.37Å; Y357-F393 HydrophobicContact CG-CZ 4.46Å; H358-F393 AromaticContact CD2-CE2 3.84Å; H358-F393 AromaticContact CE1-CE2 3.41Å; H358-F393 VanDerWaalsContact CE1-CE2 3.41Å; H358-F393 WeakPolarHBondContact CE1-CE2 3.44Å; H358-F393 AromaticContact CE1-CZ 3.59Å; H358-F393 AromaticContact ND1-CE2 3.79Å; H358-F393 AromaticContact NE2-CE2 3.46Å; H358-F393 WeakPolarHBondContact NE2-CE2 3.26Å; H358-F393 AromaticContact NE2-CZ 3.88Å; F391-F393 HydrophobicContact CB-CD2 4.09Å; F393-P396 WeakPolarHBondContact O-CD 3.39Å; F393-P396 WeakPolarHBondContact O-CG 3.46Å; F393-T397 WeakPolarHBondContact O-CB 3.32Å; F393-T397 PolarHBondContact O-N 3.02Å; F393-T397 PolarHBondContact O-OG1 3.23Å
394	G	90.2	Very high	80.3	Confident	12 Å²	12	39.1 Å²	39.1	12%	0.124	22%	0.219	C	C	.	.	H	α-helix	trans	-59	-57.4	-167.9	0	0	0	0	0	113.8	E301 S398	E301-G394 WeakPolarHBondContact OE2-CA 3.37Å; G394-S398 WeakPolarHBondContact O-CB 3.31Å; G394-S398 PolarHBondContact O-N 3.07Å; G394-S398 PolarHBondContact O-OG 2.84Å
395	L	94	Very high	82.5	Confident	26 Å²	26	29.7 Å²	29.7	14%	0.136	18%	0.175	C	C	.	.	H	α-helix	trans	-63.5	-53.4	179.5	-68.6	177.8	0	0	0	113.7	L302 V354 M355 T397 S398 R399 I411	L302-L395 HydrophobicContact CD2-CD2 3.79Å; V354-L395 HydrophobicContact CB-CD1 4.03Å; V354-L395 HydrophobicContact CG2-CD1 4.13Å; M355-L395 HydrophobicContact SD-CB 4.39Å; L395-T397 PolarHBondContact O-N 3.33Å; L395-S398 PolarHBondContact O-N 3.31Å; L395-R399 PolarHBondContact O-N 2.98Å; L395-I411 HydrophobicContact CD1-CD1 4.05Å; L395-I411 HydrophobicContact CD2-CD1 4.17Å
396	P	94.9	Very high	84.6	Confident	2 Å²	2	29 Å²	29	1%	0.013	18%	0.175	C	C	.	.	H	α-helix	trans	-61.8	-41.8	-178.9	20.8	-32	0	0	0	112.6	M355 Y357 F393 S398 R399 A400	M355-P396 WeakPolarHBondContact O-CB 3.37Å; Y357-P396 HydrophobicContact CD1-CB 3.91Å; Y357-P396 HydrophobicContact CD1-CG 3.61Å; Y357-P396 HydrophobicContact CD2-CB 4.11Å; Y357-P396 HydrophobicContact CE1-CB 3.71Å; Y357-P396 HydrophobicContact CE1-CG 3.78Å; Y357-P396 HydrophobicContact CE2-CB 3.92Å; Y357-P396 HydrophobicContact CG-CB 4.1Å; Y357-P396 HydrophobicContact CG-CG 4.01Å; F393-P396 WeakPolarHBondContact O-CD 3.39Å; F393-P396 WeakPolarHBondContact O-CG 3.46Å; P396-S398 PolarHBondContact O-N 3.01Å; P396-R399 PolarHBondContact O-N 3.44Å; P396-A400 WeakPolarHBondContact O-CB 3.49Å; P396-A400 PolarHBondContact O-N 3.07Å
397	T	94	Very high	86.5	Confident	15 Å²	15	27.1 Å²	27.1	9%	0.092	16%	0.164	C	C	.	.	H	α-helix	trans	-64.3	-42.4	177.1	-53.4	0	0	0	0	111.2	L220 F393 L395 R399 A400 Y401	L220-T397 HydrophobicContact CD1-CG2 4.11Å; F393-T397 WeakPolarHBondContact O-CB 3.32Å; F393-T397 PolarHBondContact O-N 3.02Å; F393-T397 PolarHBondContact O-OG1 3.23Å; L395-T397 PolarHBondContact O-N 3.33Å; T397-R399 VanDerWaalsContact C-N 3.33Å; T397-R399 PolarHBondContact O-N 3.26Å; T397-A400 PolarHBondContact O-N 3.22Å; T397-Y401 HydrophobicContact CG2-CD1 4.36Å; T397-Y401 HydrophobicContact CG2-CD2 4Å; T397-Y401 HydrophobicContact CG2-CE1 3.91Å; T397-Y401 HydrophobicContact CG2-CE2 3.52Å; T397-Y401 HydrophobicContact CG2-CG 4.4Å; T397-Y401 VanDerWaalsContact CG2-CZ 3.46Å; T397-Y401 WeakPolarHBondContact O-CB 3.37Å; T397-Y401 VanDerWaalsContact O-CG 3.3Å; T397-Y401 PolarHBondContact O-N 2.85Å
398	S	96.2	Very high	88.2	Confident	2 Å²	2	25.5 Å²	25.5	1%	0.014	15%	0.154	C	C	.	.	H	α-helix	trans	-62.4	-40.7	178.8	-66.2	0	0	0	0	112.2	G394 L395 P396 A402	G394-S398 WeakPolarHBondContact O-CB 3.31Å; G394-S398 PolarHBondContact O-N 3.07Å; G394-S398 PolarHBondContact O-OG 2.84Å; L395-S398 PolarHBondContact O-N 3.31Å; P396-S398 PolarHBondContact O-N 3.01Å; S398-A402 WeakPolarHBondContact O-CB 3.3Å; S398-A402 PolarHBondContact O-N 2.81Å
399	R	96.5	Very high	89.7	Confident	28 Å²	28	25.9 Å²	25.9	11%	0.106	16%	0.156	C	C	.	.	H	α-helix	trans	-64.6	-49.6	174.5	-178.8	-177.2	59	-156.6	-19.8	111.3	R213 M355 L395 P396 T397 Y401 A402 E403 L409	R213-R399 VanDerWaalsContact NH2-NH1 3.18Å; M355-R399 VanDerWaalsContact CB-NH1 3.34Å; M355-R399 PolarHBondContact O-NH2 3.44Å; L395-R399 PolarHBondContact O-N 2.98Å; P396-R399 PolarHBondContact O-N 3.44Å; T397-R399 VanDerWaalsContact C-N 3.33Å; T397-R399 PolarHBondContact O-N 3.26Å; R399-Y401 VanDerWaalsContact C-N 3.25Å; R399-Y401 PolarHBondContact O-N 2.98Å; R399-A402 PolarHBondContact O-N 3.4Å; R399-A402 VanDerWaalsContact O-N 3.1Å; R399-E403 WeakPolarHBondContact CD-OE1 3.26Å; R399-E403 HydrophobicContact CG-CG 4.24Å; R399-E403 VanDerWaalsContact CG-OE1 3.24Å; R399-E403 WeakPolarHBondContact CG-OE1 3.33Å; R399-E403 WeakPolarHBondContact O-CG 3.4Å; R399-E403 PolarHBondContact O-N 3.38Å; R399-L409 HydrophobicContact CB-CB 4.01Å; R399-L409 HydrophobicContact CB-CD2 4.06Å; R399-L409 HydrophobicContact CG-CB 4.24Å
400	A	95.3	Very high	91.2	Very high	4 Å²	4	26.1 Å²	26.1	3%	0.033	16%	0.163	C	C	.	.	H	α-helix	trans	-56.7	-41.9	179.7	0	0	0	0	0	111.3	D217 C221 P396 T397 Y404	D217-A400 HydrophobicContact CB-CB 4.4Å; C221-A400 PolarHBondContact SG-O 3.15Å; C221-A400 VanDerWaalsContact SG-O 3.34Å; P396-A400 WeakPolarHBondContact O-CB 3.49Å; P396-A400 PolarHBondContact O-N 3.07Å; T397-A400 PolarHBondContact O-N 3.22Å; A400-Y404 VanDerWaalsContact O-CB 3.24Å; A400-Y404 WeakPolarHBondContact O-CB 3.45Å; A400-Y404 PolarHBondContact O-N 2.64Å
401	Y	95.1	Very high	92.4	Very high	4 Å²	4	25.3 Å²	25.3	2%	0.016	15%	0.147	C	C	.	.	H	α-helix	trans	-66.1	-43.6	174.9	-68.7	-7.8	0	0	0	113	L220 L224 Y297 T397 R399 Y404 L405	L220-Y401 HydrophobicContact CB-CE1 3.97Å; L220-Y401 WeakPolarHBondContact O-CE1 3.49Å; L224-Y401 HydrophobicContact CB-CD1 4.26Å; L224-Y401 HydrophobicContact CB-CE1 3.86Å; L224-Y401 HydrophobicContact CD2-CD1 3.58Å; L224-Y401 HydrophobicContact CD2-CD2 4.04Å; L224-Y401 HydrophobicContact CD2-CE1 4Å; L224-Y401 HydrophobicContact CD2-CE2 4.41Å; L224-Y401 HydrophobicContact CD2-CG 3.6Å; L224-Y401 HydrophobicContact CG-CE1 4.49Å; Y297-Y401 HydrophobicContact CD1-CE2 4.28Å; Y297-Y401 HydrophobicContact CD2-CE2 4.33Å; Y297-Y401 HydrophobicContact CG-CD2 4.43Å; Y297-Y401 AromaticContact CG-CE2 3.93Å; Y297-Y401 HydrophobicContact CG-CE2 3.93Å; T397-Y401 HydrophobicContact CG2-CD1 4.36Å; T397-Y401 HydrophobicContact CG2-CD2 4Å; T397-Y401 HydrophobicContact CG2-CE1 3.91Å; T397-Y401 HydrophobicContact CG2-CE2 3.52Å; T397-Y401 HydrophobicContact CG2-CG 4.4Å; T397-Y401 VanDerWaalsContact CG2-CZ 3.46Å; T397-Y401 WeakPolarHBondContact O-CB 3.37Å; T397-Y401 VanDerWaalsContact O-CG 3.3Å; T397-Y401 PolarHBondContact O-N 2.85Å; R399-Y401 VanDerWaalsContact C-N 3.25Å; R399-Y401 PolarHBondContact O-N 2.98Å; Y401-Y404 PolarHBondContact O-N 3.23Å; Y401-L405 WeakPolarHBondContact O-CD1 3.47Å; Y401-L405 WeakPolarHBondContact O-CG 3.42Å; Y401-L405 PolarHBondContact O-N 2.81Å
402	A	95.1	Very high	93.4	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-61.7	-45.6	177.2	0	0	0	0	0	111.7	S398 R399 L405 G406 G407 L409 L423 L425	S398-A402 WeakPolarHBondContact O-CB 3.3Å; S398-A402 PolarHBondContact O-N 2.81Å; R399-A402 PolarHBondContact O-N 3.4Å; R399-A402 VanDerWaalsContact O-N 3.1Å; A402-L405 PolarHBondContact O-N 2.96Å; A402-G406 PolarHBondContact O-N 3.11Å; A402-G407 CarbonylContact O-C 3.56Å; A402-G407 VanDerWaalsContact O-CA 3.25Å; A402-G407 WeakPolarHBondContact O-CA 3.34Å; A402-G407 PolarHBondContact O-N 3.28Å; A402-L409 HydrophobicContact CB-CB 4.41Å; A402-L423 HydrophobicContact CB-CD1 3.8Å; A402-L425 HydrophobicContact CB-CD2 4.14Å
403	E	94.1	Very high	94.1	Very high	105 Å²	105	28 Å²	28	49%	0.491	16%	0.16	S	C	.	.	H	α-helix	trans	-65.6	-41.7	178.4	-71.4	175.7	-176.1	0	0	112.3	R399 L405 G406	R399-E403 WeakPolarHBondContact CD-OE1 3.26Å; R399-E403 HydrophobicContact CG-CG 4.24Å; R399-E403 VanDerWaalsContact CG-OE1 3.24Å; R399-E403 WeakPolarHBondContact CG-OE1 3.33Å; R399-E403 WeakPolarHBondContact O-CG 3.4Å; R399-E403 PolarHBondContact O-N 3.38Å; E403-L405 PolarHBondContact O-N 3.49Å; E403-G406 PolarHBondContact O-N 2.87Å
404	Y	90.3	Very high	94.4	Very high	44 Å²	44	31.5 Å²	31.5	17%	0.173	18%	0.178	C	C	.	.	H	α-helix	trans	-57.7	-32.2	175.2	175.2	-112	0	0	0	112.6	C221 L224 G225 A400 Y401 G406 V437	C221-Y404 HydrophobicContact CB-CD1 4.49Å; C221-Y404 HydrophobicContact CB-CD2 3.93Å; C221-Y404 HydrophobicContact CB-CG 3.92Å; L224-Y404 HydrophobicContact CD2-CD1 4.2Å; G225-Y404 WeakPolarHBondContact CA-OH 3.42Å; A400-Y404 VanDerWaalsContact O-CB 3.24Å; A400-Y404 WeakPolarHBondContact O-CB 3.45Å; A400-Y404 PolarHBondContact O-N 2.64Å; Y401-Y404 PolarHBondContact O-N 3.23Å; Y404-G406 VanDerWaalsContact C-N 3.28Å; Y404-G406 PolarHBondContact O-N 3.23Å; Y404-V437 WeakPolarHBondContact OH-CA 3.41Å; Y404-V437 WeakPolarHBondContact OH-CG1 3.48Å; Y404-V437 PolarHBondContact OH-OXT 3.31Å
405	L	88.3	Confident	94.6	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	15.3	178.2	-56	166.4	0	0	0	112.7	M228 P294 Y401 A402 E403 G407 L425 F435	M228-L405 HydrophobicContact CE-CD2 4.29Å; M228-L405 HydrophobicContact SD-CD2 4.27Å; P294-L405 HydrophobicContact CB-CD1 3.34Å; P294-L405 HydrophobicContact CG-CD1 3.4Å; P294-L405 HydrophobicContact CG-CD2 4.36Å; Y401-L405 WeakPolarHBondContact O-CD1 3.47Å; Y401-L405 WeakPolarHBondContact O-CG 3.42Å; Y401-L405 PolarHBondContact O-N 2.81Å; A402-L405 PolarHBondContact O-N 2.96Å; E403-L405 PolarHBondContact O-N 3.49Å; L405-G407 PolarHBondContact O-N 3.39Å; L405-L425 HydrophobicContact CB-CD2 4.27Å; L405-L425 HydrophobicContact CD1-CD2 4.31Å; L405-F435 HydrophobicContact CB-CD2 4.06Å; L405-F435 HydrophobicContact CB-CE2 4.06Å; L405-F435 HydrophobicContact CB-CG 4.36Å; L405-F435 HydrophobicContact CB-CZ 4.35Å; L405-F435 HydrophobicContact CD2-CD2 3.7Å; L405-F435 HydrophobicContact CD2-CE2 3.19Å; L405-F435 HydrophobicContact CD2-CZ 3.91Å; L405-F435 HydrophobicContact CG-CD2 4.48Å; L405-F435 HydrophobicContact CG-CE2 4.18Å; L405-F435 VanDerWaalsContact O-CB 3.27Å; L405-F435 WeakPolarHBondContact O-CB 3.49Å; L405-F435 VanDerWaalsContact O-CD1 3.3Å; L405-F435 WeakPolarHBondContact O-CD1 3.28Å; L405-F435 VanDerWaalsContact O-CG 3.23Å; L405-F435 WeakPolarHBondContact O-CG 3.41Å
406	G	87.9	Confident	94.6	Very high	29 Å²	29	37.3 Å²	37.3	30%	0.299	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.8	12.2	179	0	0	0	0	0	114.6	A402 E403 Y404 R426	A402-G406 PolarHBondContact O-N 3.11Å; E403-G406 PolarHBondContact O-N 2.87Å; Y404-G406 VanDerWaalsContact C-N 3.28Å; Y404-G406 PolarHBondContact O-N 3.23Å; G406-R426 WeakPolarHBondContact O-CD 3.33Å; G406-R426 WeakPolarHBondContact O-CG 3.26Å; G406-R426 PolarHBondContact O-NE 2.89Å
407	G	93.3	Very high	94.7	Very high	14 Å²	14	41.1 Å²	41.1	14%	0.144	24%	0.236	C	C	.	.			trans	-100.6	-155.8	176.5	0	0	0	0	0	112.9	A402 L405 R424	A402-G407 CarbonylContact O-C 3.56Å; A402-G407 VanDerWaalsContact O-CA 3.25Å; A402-G407 WeakPolarHBondContact O-CA 3.34Å; A402-G407 PolarHBondContact O-N 3.28Å; L405-G407 PolarHBondContact O-N 3.39Å; G407-R424 CarbonylContact C-O 3.56Å; G407-R424 WeakPolarHBondContact CA-O 3.49Å
408	S	96.7	Very high	94.8	Very high	44 Å²	44	40.4 Å²	40.4	31%	0.308	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	160.1	175.4	62.6	0	0	0	0	112.2	R424	S408-R424 PolarHBondContact N-O 3.03Å; S408-R424 PolarHBondContact O-N 3.34Å
409	L	97.8	Very high	94.9	Very high	11 Å²	11	40.7 Å²	40.7	6%	0.058	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	119.4	169.5	-173.3	73.9	0	0	0	108.5	L302 R399 A402 V421 Y422 L423	L302-L409 HydrophobicContact CD1-CD1 3.87Å; L302-L409 HydrophobicContact CD2-CD1 4.36Å; L302-L409 HydrophobicContact CD2-CD2 4.3Å; R399-L409 HydrophobicContact CB-CB 4.01Å; R399-L409 HydrophobicContact CB-CD2 4.06Å; R399-L409 HydrophobicContact CG-CB 4.24Å; A402-L409 HydrophobicContact CB-CB 4.41Å; L409-V421 HydrophobicContact CD1-CG1 3.6Å; L409-V421 HydrophobicContact CG-CG1 4.27Å; L409-Y422 WeakPolarHBondContact CA-O 3.22Å; L409-L423 HydrophobicContact CD1-CB 4.05Å; L409-L423 HydrophobicContact CD1-CD1 4.21Å
410	S	97	Very high	95	Very high	52 Å²	52	40.6 Å²	40.6	36%	0.364	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	150.7	177.9	58.6	0	0	0	0	111.3	Y422	S410-Y422 PolarHBondContact N-O 3.14Å; S410-Y422 PolarHBondContact O-N 3.17Å; S410-Y422 WeakPolarHBondContact OG-CB 3.4Å
411	I	96.8	Very high	95.2	Very high	29 Å²	29	41.1 Å²	41.1	15%	0.149	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	134.5	-176.1	-56.3	-177	0	0	0	108.1	I346 V354 M355 L395 T419 D420 V421	I346-I411 HydrophobicContact CD1-CG2 3.79Å; V354-I411 HydrophobicContact CG2-CD1 4.13Å; M355-I411 HydrophobicContact CE-CD1 3.41Å; M355-I411 VanDerWaalsContact CE-CD1 3.41Å; M355-I411 HydrophobicContact CE-CG1 3.71Å; M355-I411 HydrophobicContact SD-CD1 4.48Å; L395-I411 HydrophobicContact CD1-CD1 4.05Å; L395-I411 HydrophobicContact CD2-CD1 4.17Å; I411-T419 HydrophobicContact CG2-CG2 3.49Å; I411-T419 VanDerWaalsContact CG2-CG2 3.49Å; I411-D420 WeakPolarHBondContact CA-O 3.39Å; I411-V421 HydrophobicContact CG1-CG1 4.49Å; I411-V421 HydrophobicContact CG1-CG2 4.36Å
412	Q	96.9	Very high	95.3	Very high	117 Å²	117	44.1 Å²	44.1	55%	0.547	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	115	171.4	-66.6	-65.4	-22.7	0	0	107.9	D420 Y422	Q412-D420 HydrophobicContact CB-CB 4.23Å; Q412-D420 PolarHBondContact N-O 2.71Å; Q412-D420 PolarHBondContact O-N 3.42Å; Q412-Y422 HydrophobicContact CB-CE2 4.24Å; Q412-Y422 HydrophobicContact CG-CD2 4.39Å; Q412-Y422 HydrophobicContact CG-CE2 3.9Å
413	S	96.6	Very high	95.5	Very high	30 Å²	30	44.2 Å²	44.2	21%	0.21	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	128.6	179.1	-179.6	0	0	0	0	110.3	I346	I346-S413 WeakPolarHBondContact CA-OG 3.28Å; I346-S413 PolarHBondContact N-OG 3.11Å; I346-S413 PolarHBondContact O-OG 3.18Å
414	M	95.9	Very high	95.6	Very high	93 Å²	93	44.6 Å²	44.6	46%	0.458	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	87.8	165.1	-66.5	179.1	-72.7	0	0	107.3	G416 I417 G418	M414-G416 PolarHBondContact O-N 3.04Å; M414-I417 HydrophobicContact CB-CB 4.04Å; M414-I417 HydrophobicContact CE-CG2 4.49Å; M414-I417 WeakPolarHBondContact O-CA 3.37Å; M414-I417 PolarHBondContact O-N 3.17Å; M414-G418 PolarHBondContact N-O 2.59Å; M414-G418 PolarHBondContact O-N 3.21Å
415	Q	94.8	Very high	95.8	Very high	101 Å²	101	42.6 Å²	42.6	47%	0.472	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	130	-176.9	-175	176	-9.9	0	0	110.7	H348	H348-Q415 PolarHBondContact ND1-OE1 3.24Å
416	G	93.6	Very high	95.9	Very high	59 Å²	59	47.5 Å²	47.5	61%	0.608	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.1	-10.5	-172.3	0	0	0	0	0	114.4	G344 M414	G344-G416 WeakPolarHBondContact O-CA 3.32Å; G344-G416 PolarHBondContact O-N 2.63Å; M414-G416 PolarHBondContact O-N 3.04Å
417	I	95.9	Very high	95.8	Very high	81 Å²	81	46.6 Å²	46.6	42%	0.415	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.4	-59.5	-177.4	-58.7	-64.8	0	0	0	111.8	R342 G344 M414	R342-I417 CarbonylContact C-O 3.28Å; R342-I417 VanDerWaalsContact CA-O 3.23Å; R342-I417 WeakPolarHBondContact CA-O 3.25Å; G344-I417 PolarHBondContact N-O 2.9Å; M414-I417 HydrophobicContact CB-CB 4.04Å; M414-I417 HydrophobicContact CE-CG2 4.49Å; M414-I417 WeakPolarHBondContact O-CA 3.37Å; M414-I417 PolarHBondContact O-N 3.17Å
418	G	97.2	Very high	95.1	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.2	-176.9	-171.2	0	0	0	0	0	113.6	D341 G345 M414	D341-G418 WeakPolarHBondContact O-CA 3.16Å; G345-G418 WeakPolarHBondContact CA-O 3.12Å; M414-G418 PolarHBondContact N-O 2.59Å; M414-G418 PolarHBondContact O-N 3.21Å
419	T	98.3	Very high	93.7	Very high	9 Å²	9	48.7 Å²	48.7	6%	0.055	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	137.7	-178.7	-44.7	0	0	0	0	111	S340 D341 G345 I346 I411 V421	S340-T419 WeakPolarHBondContact CA-O 3.44Å; D341-T419 PolarHBondContact N-O 3.35Å; D341-T419 PolarHBondContact OD1-N 2.92Å; D341-T419 WeakPolarHBondContact OD2-CB 3.46Å; G345-T419 WeakPolarHBondContact CA-OG1 3.43Å; I346-T419 HydrophobicContact CD1-CG2 4.01Å; I346-T419 HydrophobicContact CG1-CG2 4.37Å; I411-T419 HydrophobicContact CG2-CG2 3.49Å; I411-T419 VanDerWaalsContact CG2-CG2 3.49Å; T419-V421 HydrophobicContact CG2-CG2 4.26Å
420	D	98.4	Very high	91.8	Very high	25 Å²	25	49 Å²	49	13%	0.134	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	123	165.8	-72	-19.6	0	0	0	109.6	I339 S340 I411 Q412 Y422	I339-D420 WeakPolarHBondContact O-CA 3.35Å; S340-D420 WeakPolarHBondContact CA-OD1 3.29Å; S340-D420 WeakPolarHBondContact CB-OD1 3.41Å; S340-D420 PolarHBondContact OG-OD1 3.07Å; I411-D420 WeakPolarHBondContact CA-O 3.39Å; Q412-D420 HydrophobicContact CB-CB 4.23Å; Q412-D420 PolarHBondContact N-O 2.71Å; Q412-D420 PolarHBondContact O-N 3.42Å; D420-Y422 HydrophobicContact CB-CD2 4.3Å; D420-Y422 HydrophobicContact CB-CE2 3.5Å; D420-Y422 VanDerWaalsContact CB-CE2 3.5Å; D420-Y422 PolarHBondContact OD2-OH 2.91Å
421	V	98.4	Very high	89.8	Confident	16 Å²	16	54.7 Å²	54.7	10%	0.097	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	125.1	172.1	-176.6	0	0	0	0	109.3	L302 R338 I339 L409 I411 T419	L302-V421 HydrophobicContact CD1-CG1 3.94Å; L302-V421 HydrophobicContact CD2-CG1 4.08Å; R338-V421 CarbonylContact C-O 3.41Å; R338-V421 VanDerWaalsContact CA-O 3.29Å; R338-V421 WeakPolarHBondContact CA-O 3.46Å; I339-V421 PolarHBondContact N-O 3.33Å; I339-V421 PolarHBondContact O-N 3.05Å; L409-V421 HydrophobicContact CD1-CG1 3.6Å; L409-V421 HydrophobicContact CG-CG1 4.27Å; I411-V421 HydrophobicContact CG1-CG1 4.49Å; I411-V421 HydrophobicContact CG1-CG2 4.36Å; T419-V421 HydrophobicContact CG2-CG2 4.26Å
422	Y	98.4	Very high	87.9	Confident	67 Å²	67	55.4 Å²	55.4	26%	0.263	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	110	179.6	-61.5	-101.5	0	0	0	109.6	V336 R338 L409 S410 Q412 D420	V336-Y422 HydrophobicContact CG1-CD1 4.38Å; R338-Y422 HydrophobicContact CB-CD1 4.04Å; R338-Y422 HydrophobicContact CB-CE1 4.11Å; R338-Y422 VanDerWaalsContact CD-CZ 3.44Å; R338-Y422 WeakPolarHBondContact CD-OH 3.39Å; R338-Y422 HydrophobicContact CG-CD1 3.92Å; R338-Y422 HydrophobicContact CG-CE1 3.67Å; R338-Y422 HydrophobicContact CG-CE2 4.37Å; R338-Y422 HydrophobicContact CG-CG 4.37Å; L409-Y422 WeakPolarHBondContact CA-O 3.22Å; S410-Y422 PolarHBondContact N-O 3.14Å; S410-Y422 PolarHBondContact O-N 3.17Å; S410-Y422 WeakPolarHBondContact OG-CB 3.4Å; Q412-Y422 HydrophobicContact CB-CE2 4.24Å; Q412-Y422 HydrophobicContact CG-CD2 4.39Å; Q412-Y422 HydrophobicContact CG-CE2 3.9Å; D420-Y422 HydrophobicContact CB-CD2 4.3Å; D420-Y422 HydrophobicContact CB-CE2 3.5Å; D420-Y422 VanDerWaalsContact CB-CE2 3.5Å; D420-Y422 PolarHBondContact OD2-OH 2.91Å
423	L	98.4	Very high	85.9	Confident	1 Å²	1	57 Å²	57	1%	0.005	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	118.7	169.2	173.3	64.2	0	0	0	109	L295 I298 L299 L302 V336 I337 A402 L409 L425	L295-L423 HydrophobicContact CD2-CD2 4.04Å; I298-L423 HydrophobicContact CB-CD2 4.41Å; I298-L423 HydrophobicContact CD1-CD1 4.11Å; I298-L423 HydrophobicContact CG2-CD1 4.16Å; I298-L423 HydrophobicContact CG2-CD2 3.72Å; I298-L423 HydrophobicContact CG2-CG 4.5Å; L299-L423 HydrophobicContact CD2-CD2 4.45Å; L302-L423 HydrophobicContact CD1-CB 4.45Å; V336-L423 CarbonylContact C-O 3.55Å; V336-L423 VanDerWaalsContact CA-O 3.28Å; V336-L423 WeakPolarHBondContact CA-O 3.27Å; I337-L423 HydrophobicContact CB-CB 4.44Å; I337-L423 HydrophobicContact CD1-CD2 4.46Å; I337-L423 PolarHBondContact N-O 3.32Å; I337-L423 PolarHBondContact O-N 3.36Å; A402-L423 HydrophobicContact CB-CD1 3.8Å; L409-L423 HydrophobicContact CD1-CB 4.05Å; L409-L423 HydrophobicContact CD1-CD1 4.21Å; L423-L425 HydrophobicContact CD1-CD1 4.36Å; L423-L425 HydrophobicContact CD1-CD2 4.27Å; L423-L425 HydrophobicContact CD1-CG 4.08Å; L423-L425 HydrophobicContact CD2-CD1 4.25Å; L423-L425 HydrophobicContact CG-CD1 4.33Å; L423-L425 HydrophobicContact CG-CG 4.25Å
424	R	97.2	Very high	84.2	Confident	114 Å²	114	57 Å²	57	43%	0.43	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	131.1	175.3	179.4	178	-72.5	-122.3	5.9	109.2	D334 V336 G407 S408	D334-R424 HydrophobicContact CB-CG 4.16Å; D334-R424 IonicContact OD1-NH1 3.57Å; D334-R424 WeakPolarHBondContact OD2-CD 3.48Å; D334-R424 WeakPolarHBondContact OD2-CG 3.43Å; D334-R424 IonicContact OD2-CZ 2.88Å; D334-R424 IonicContact OD2-NE 3.13Å; D334-R424 IonicContact OD2-NH1 3.72Å; D334-R424 PolarHBondContact OD2-NH1 3.1Å; V336-R424 HydrophobicContact CG2-CB 4.26Å; V336-R424 HydrophobicContact CG2-CG 4.14Å; G407-R424 CarbonylContact C-O 3.56Å; G407-R424 WeakPolarHBondContact CA-O 3.49Å; S408-R424 PolarHBondContact N-O 3.03Å; S408-R424 PolarHBondContact O-N 3.34Å
425	L	93.9	Very high	82.7	Confident	1 Å²	1	53.1 Å²	53.1	1%	0.005	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	140.1	177.5	-66.3	172.7	0	0	0	109.8	F290 L295 D334 F335 A402 L405 L423	F290-L425 HydrophobicContact CE1-CD1 4.24Å; F290-L425 HydrophobicContact CZ-CB 4.18Å; F290-L425 HydrophobicContact CZ-CD1 4.02Å; L295-L425 HydrophobicContact CD2-CD1 3.66Å; L295-L425 HydrophobicContact CG-CD1 4.43Å; D334-L425 WeakPolarHBondContact CA-O 3.4Å; D334-L425 VanDerWaalsContact CB-O 3.25Å; D334-L425 WeakPolarHBondContact CB-O 3.35Å; F335-L425 HydrophobicContact CD1-CB 4.41Å; F335-L425 WeakPolarHBondContact CD1-O 3.49Å; F335-L425 HydrophobicContact CE1-CB 3.69Å; F335-L425 HydrophobicContact CE2-CB 4.2Å; F335-L425 HydrophobicContact CE2-CD1 4.2Å; F335-L425 HydrophobicContact CZ-CB 3.58Å; F335-L425 HydrophobicContact CZ-CD1 3.79Å; F335-L425 HydrophobicContact CZ-CG 4.28Å; F335-L425 PolarHBondContact N-O 3.32Å; F335-L425 PolarHBondContact O-N 3Å; A402-L425 HydrophobicContact CB-CD2 4.14Å; L405-L425 HydrophobicContact CB-CD2 4.27Å; L405-L425 HydrophobicContact CD1-CD2 4.31Å; L423-L425 HydrophobicContact CD1-CD1 4.36Å; L423-L425 HydrophobicContact CD1-CD2 4.27Å; L423-L425 HydrophobicContact CD1-CG 4.08Å; L423-L425 HydrophobicContact CD2-CD1 4.25Å; L423-L425 HydrophobicContact CG-CD1 4.33Å; L423-L425 HydrophobicContact CG-CG 4.25Å
426	R	89.8	Confident	81.4	Confident	104 Å²	104	54.8 Å²	54.8	39%	0.392	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	149.1	179.8	-66.8	-174.3	-176.8	-153.8	-3	111.6	F290 G406 E433	F290-R426 VanDerWaalsContact CE2-O 3.32Å; F290-R426 WeakPolarHBondContact CE2-O 3.42Å; G406-R426 WeakPolarHBondContact O-CD 3.33Å; G406-R426 WeakPolarHBondContact O-CG 3.26Å; G406-R426 PolarHBondContact O-NE 2.89Å; R426-E433 PolarHBondContact NH1-O 3.3Å
427	H	86.9	Confident	79.8	Confident	10 Å²	10	52.2 Å²	52.2	5%	0.046	25%	0.251	C	S	.	.			trans	-67.1	154.1	168.6	-73.6	-66.2	0	0	0	112	F288 N330 N331 L333 D334 F335	F288-H427 AromaticContact CD1-CE1 3.69Å; F288-H427 AromaticContact CD2-CE1 3.54Å; F288-H427 AromaticContact CD2-ND1 3.49Å; F288-H427 WeakPolarHBondContact CD2-ND1 3.47Å; F288-H427 AromaticContact CE1-CE1 3.83Å; F288-H427 AromaticContact CE2-CE1 3.68Å; F288-H427 AromaticContact CE2-ND1 3.87Å; F288-H427 AromaticContact CG-CE1 3.54Å; F288-H427 AromaticContact CG-ND1 3.75Å; F288-H427 AromaticContact CZ-CE1 3.8Å; N330-H427 PolarHBondContact OD1-CE1 3.26Å; N330-H427 PolarHBondContact OD1-NE2 3.49Å; N331-H427 PolarHBondContact O-CD2 3.35Å; N331-H427 VanDerWaalsContact O-CD2 3.22Å; N331-H427 PolarHBondContact O-NE2 3.14Å; L333-H427 PolarHBondContact O-N 3.2Å; D334-H427 PolarHBondContact O-NE2 3.02Å; F335-H427 AromaticContact CD1-CE1 3.68Å
428	I	78.8	Confident	79	Confident	3 Å²	3	50.8 Å²	50.8	2%	0.015	24%	0.242	C	C	.	.	S	Bend	trans	-68.7	-42	174.9	-62.9	-175.1	0	0	0	110.5	L98 I247 F290 I291 S434	L98-I428 HydrophobicContact CB-CG1 4.45Å; L98-I428 HydrophobicContact CB-CG2 3.73Å; L98-I428 HydrophobicContact CD2-CD1 3.6Å; L98-I428 HydrophobicContact CD2-CG1 3.7Å; L98-I428 HydrophobicContact CD2-CG2 4.48Å; I247-I428 HydrophobicContact CG2-CD1 3.7Å; F290-I428 VanDerWaalsContact CA-CD1 3.49Å; F290-I428 HydrophobicContact CD2-CG1 4.14Å; I291-I428 HydrophobicContact CG1-CD1 4.12Å; I428-S434 PolarHBondContact O-OG 3.24Å
429	D	66	Low	78	Confident	100 Å²	100	53.4 Å²	53.4	54%	0.535	26%	0.255	S	S	.	.	S	Bend	trans	-107.2	15	-174	59.8	-20.2	0	0	0	113.1
430	G	59.5	Low	76.9	Confident	17 Å²	17	55.9 Å²	55.9	18%	0.175	27%	0.266	C	S	.	.			trans	-61.7	158.8	-180	0	0	0	0	0	112.6	G432	G430-G432 PolarHBondContact O-N 3.07Å
431	K	53.9	Low	75.6	Confident	172 Å²	172	57.7 Å²	57.7	75%	0.748	27%	0.274	S	S	*	.	S	Bend	trans	-64.4	-4.2	177.9	-69.4	173.8	179.3	157.8	0	114.5	D332 L333	D332-K431 IonicContact OD2-NZ 3.3Å; D332-K431 PolarHBondContact OD2-NZ 2.98Å; L333-K431 HydrophobicContact CD2-CB 4.41Å
432	G	56.7	Low	74.2	Confident	43 Å²	43	60.3 Å²	60.3	44%	0.443	29%	0.285	S	S	.	.	S	Bend	trans	-103.1	179.3	178.1	0	0	0	0	0	113.1	G430 S434	G430-G432 PolarHBondContact O-N 3.07Å; G432-S434 PolarHBondContact O-N 3.23Å
433	E	55.6	Low	72.6	Confident	152 Å²	152	59.9 Å²	59.9	71%	0.71	29%	0.286	S	S	*	.	P	Polyproline II helix	trans	-61	121	174.5	-68.5	-169.7	151.1	0	0	111.2	R426	R426-E433 PolarHBondContact NH1-O 3.3Å
434	S	59.8	Low	70.7	Confident	28 Å²	28	64.1 Å²	64.1	20%	0.196	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-59.9	139.2	170.5	-53.4	0	0	0	0	110.1	I428 G432	I428-S434 PolarHBondContact O-OG 3.24Å; G432-S434 PolarHBondContact O-N 3.23Å
435	F	66.3	Low	68.7	Low	13 Å²	13	60.2 Å²	60.2	6%	0.057	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-65.9	150.8	173.8	66.6	-88.6	0	0	0	111	L98 L405 V437	L98-F435 HydrophobicContact CD1-CD2 3.56Å; L98-F435 HydrophobicContact CD1-CE1 4.19Å; L98-F435 HydrophobicContact CD1-CE2 3.09Å; L98-F435 HydrophobicContact CD1-CG 4.28Å; L98-F435 HydrophobicContact CD1-CZ 3.48Å; L98-F435 VanDerWaalsContact CD1-CZ 3.48Å; L98-F435 HydrophobicContact CD2-CE1 3.99Å; L98-F435 HydrophobicContact CD2-CE2 3.81Å; L98-F435 HydrophobicContact CD2-CZ 3.3Å; L98-F435 HydrophobicContact CG-CE2 4.09Å; L98-F435 HydrophobicContact CG-CZ 4.03Å; L405-F435 HydrophobicContact CB-CD2 4.06Å; L405-F435 HydrophobicContact CB-CE2 4.06Å; L405-F435 HydrophobicContact CB-CG 4.36Å; L405-F435 HydrophobicContact CB-CZ 4.35Å; L405-F435 HydrophobicContact CD2-CD2 3.7Å; L405-F435 HydrophobicContact CD2-CE2 3.19Å; L405-F435 HydrophobicContact CD2-CZ 3.91Å; L405-F435 HydrophobicContact CG-CD2 4.48Å; L405-F435 HydrophobicContact CG-CE2 4.18Å; L405-F435 VanDerWaalsContact O-CB 3.27Å; L405-F435 WeakPolarHBondContact O-CB 3.49Å; L405-F435 VanDerWaalsContact O-CD1 3.3Å; L405-F435 WeakPolarHBondContact O-CD1 3.28Å; L405-F435 VanDerWaalsContact O-CG 3.23Å; L405-F435 WeakPolarHBondContact O-CG 3.41Å; F435-V437 HydrophobicContact CD2-CG2 4.17Å; F435-V437 HydrophobicContact CE2-CG2 3.99Å
436	R	66.3	Low	66.6	Low	136 Å²	136	65.2 Å²	65.2	51%	0.513	32%	0.321	S	S	.	.	B	Isolated β-bridge	trans	-112.4	129.3	-174.7	-48.6	-173.3	-179	175.5	1.5	110.3	R95 L96 T97	R95-R436 HydrophobicContact CB-CB 3.63Å; L96-R436 CarbonylContact O-C 3.53Å; L96-R436 VanDerWaalsContact O-CA 3.26Å; L96-R436 WeakPolarHBondContact O-CA 3.36Å; T97-R436 HydrophobicContact CG2-CG 4.1Å
437	V	59.8	Low	64.5	Low	4 Å²	4	61.6 Å²	61.6	2%	0.024	32%	0.315	C	S	.	.			trans	-96.8	0	-179.6	177.7	0	0	0	0	110.8	R95 L96 L98 R127 M228 L229 Y404 F435	R95-V437 CarbonylContact C-O 3.56Å; R95-V437 VanDerWaalsContact CA-O 3.31Å; R95-V437 WeakPolarHBondContact CA-O 3.45Å; L96-V437 PolarHBondContact N-O 3.46Å; L96-V437 PolarHBondContact O-N 2.7Å; L98-V437 HydrophobicContact CD1-CG2 3.54Å; R127-V437 PolarHBondContact NH1-OXT 3.31Å; R127-V437 PolarHBondContact NH2-O 3.16Å; R127-V437 PolarHBondContact NH2-OXT 3.27Å; M228-V437 HydrophobicContact CB-CG1 4.35Å; M228-V437 HydrophobicContact CE-CG2 3.87Å; M228-V437 HydrophobicContact SD-CG1 4.41Å; M228-V437 HydrophobicContact SD-CG2 4.36Å; L229-V437 HydrophobicContact CG-CG1 4.43Å; Y404-V437 WeakPolarHBondContact OH-CA 3.41Å; Y404-V437 WeakPolarHBondContact OH-CG1 3.48Å; Y404-V437 PolarHBondContact OH-OXT 3.31Å; F435-V437 HydrophobicContact CD2-CG2 4.17Å; F435-V437 HydrophobicContact CE2-CG2 3.99Å

Retrieved 437 of 437 residues in 212.6 ms (Link to these results)

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