A0A024B5K5_DANRE Loading...

endothelin-converting enzyme 1

AlphaFold DB , UniProt , Accession A0A024B5K5, Species DANRE (Danio rerio, Zebrafish), Gene ece2b, Length 765 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	21.7	Very low	25.4	Very low	96 Å²	96	73.4 Å²	73.4	47%	0.473	39%	0.391	S	S	.	.				0	-33.7	0	-109.4	166.9	154.2	0	0	112.8	V3 N433	M1-V3 PolarHBondContact O-N 2.77Å; M1-N433 WeakPolarHBondContact CE-OD1 3.41Å
2	S	22.4	Very low	25.4	Very low	98 Å²	98	70.3 Å²	70.3	69%	0.685	37%	0.373	S	S	*	.			trans	-70.9	-19	171.3	-79.2	0	0	0	0	116.5
3	V	23.4	Very low	25.6	Very low	86 Å²	86	68.1 Å²	68.1	52%	0.521	37%	0.367	S	S	.	.	S	Bend	trans	-87	-17.9	179.2	-173.4	0	0	0	0	112.3	M1	M1-V3 PolarHBondContact O-N 2.77Å
4	A	23.7	Very low	25.5	Very low	30 Å²	30	71 Å²	71	25%	0.248	38%	0.382	C	S	.	.	S	Bend	trans	-85.9	-5.7	-179.3	0	0	0	0	0	114.1
5	L	26.3	Very low	25.3	Very low	44 Å²	44	74.1 Å²	74.1	23%	0.23	39%	0.388	C	S	.	.	S	Bend	trans	-108.9	-8.1	-169.2	-80.2	161.1	0	0	0	115.6	D7 L8 D436	L5-D7 VanDerWaalsContact C-N 3.29Å; L5-L8 HydrophobicContact CD2-CD1 4.47Å; L5-D436 WeakPolarHBondContact CD1-OD1 3.23Å; L5-D436 VanDerWaalsContact CD1-OD2 3.31Å; L5-D436 WeakPolarHBondContact CD1-OD2 3.45Å; L5-D436 HydrophobicContact CD2-CB 3.58Å; L5-D436 VanDerWaalsContact CD2-OD1 3.27Å; L5-D436 WeakPolarHBondContact CD2-OD1 3.45Å
6	Q	26.2	Very low	25.2	Very low	158 Å²	158	82.3 Å²	82.3	74%	0.738	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	-72.2	-25.5	173.2	-88.6	171.9	-30.7	0	0	112.3
7	D	27.3	Very low	25.1	Very low	57 Å²	57	91.4 Å²	91.4	31%	0.305	45%	0.447	S	S	.	.	G	3₁₀ helix	trans	-94.5	7.1	-172.9	-91.4	19.2	0	0	0	115.7	L5 R229 Q231 T235	L5-D7 VanDerWaalsContact C-N 3.29Å; D7-R229 PolarHBondContact O-NH2 2.83Å; D7-Q231 VanDerWaalsContact OD2-CD 3.27Å; D7-Q231 PolarHBondContact OD2-NE2 3.46Å; D7-Q231 PolarHBondContact OD2-OE1 3.03Å; D7-T235 PolarHBondContact OD2-OG1 3.17Å
8	L	25.5	Very low	25	Very low	39 Å²	39	90.8 Å²	90.8	20%	0.204	46%	0.459	C	S	.	.	G	3₁₀ helix	trans	-110.5	-2.4	-178.8	-82.6	159.5	0	0	0	114	L5 F532 S536	L5-L8 HydrophobicContact CD2-CD1 4.47Å; L8-F532 HydrophobicContact CD1-CE1 3.72Å; L8-F532 HydrophobicContact CD1-CZ 4.34Å; L8-F532 HydrophobicContact CD2-CE1 3.53Å; L8-F532 HydrophobicContact CD2-CZ 3.58Å; L8-F532 HydrophobicContact CG-CE1 4.25Å; L8-F532 HydrophobicContact CG-CZ 4.49Å; L8-S536 VanDerWaalsContact CD2-CB 3.4Å; L8-S536 WeakPolarHBondContact CD2-OG 3.29Å
9	R	28.7	Very low	24.9	Very low	108 Å²	108	92.9 Å²	92.9	41%	0.408	48%	0.477	S	S	.	.	S	Bend	trans	-92.6	6.5	-171.5	-79.6	174.6	162.9	-152.2	-3.7	115.9	S554	R9-S554 WeakPolarHBondContact CD-O 3.35Å; R9-S554 WeakPolarHBondContact CG-O 3.28Å; R9-S554 PolarHBondContact NE-O 3.32Å; R9-S554 PolarHBondContact NH1-O 3.1Å; R9-S554 PolarHBondContact O-OG 2.79Å
10	N	26.9	Very low	25	Very low	68 Å²	68	98.5 Å²	98.5	36%	0.364	50%	0.498	S	S	.	.			trans	-110.5	133.8	171.2	-72.3	-17.5	0	0	0	107.9	S239	N10-S239 PolarHBondContact ND2-OG 2.94Å
11	N	27.7	Very low	25.1	Very low	23 Å²	23	102.5 Å²	102.5	12%	0.123	52%	0.515	C	S	.	.			trans	112.2	109.8	152.7	-48.3	-37.9	0	0	0	116.6	V539 M540 Q543	N11-V539 HydrophobicContact CB-CG1 3.45Å; N11-V539 VanDerWaalsContact CB-CG1 3.45Å; N11-V539 WeakPolarHBondContact CB-O 3.37Å; N11-V539 WeakPolarHBondContact O-CG1 3.24Å; N11-M540 WeakPolarHBondContact ND2-CA 3.47Å; N11-M540 WeakPolarHBondContact ND2-CB 3.21Å; N11-M540 VanDerWaalsContact ND2-CG 3.34Å; N11-M540 WeakPolarHBondContact ND2-CG 3.2Å; N11-Q543 HydrophobicContact CB-CG 3.4Å; N11-Q543 VanDerWaalsContact CB-CG 3.4Å; N11-Q543 WeakPolarHBondContact OD1-CG 3.38Å
12	M	25.5	Very low	25.3	Very low	37 Å²	37	107.2 Å²	107.2	18%	0.182	54%	0.536	C	S	.	.			trans	172.7	118.4	140	-94.8	175.4	-54.5	0	0	112	V514 F535 V539 Q552	M12-V514 HydrophobicContact CB-CG1 4.25Å; M12-V514 HydrophobicContact CB-CG2 4.39Å; M12-V514 HydrophobicContact CE-CB 4.41Å; M12-V514 HydrophobicContact CE-CG1 3.19Å; M12-V514 HydrophobicContact CG-CG1 4.46Å; M12-V514 VanDerWaalsContact SD-C 3.59Å; M12-V514 HydrophobicContact SD-CB 4.1Å; M12-V514 HydrophobicContact SD-CG1 3.45Å; M12-V514 WeakPolarHBondContact SD-CG1 3.42Å; M12-F535 HydrophobicContact CE-CE1 4.24Å; M12-F535 HydrophobicContact CE-CZ 4.08Å; M12-F535 HydrophobicContact SD-CE1 4.44Å; M12-F535 HydrophobicContact SD-CZ 3.75Å; M12-V539 HydrophobicContact CE-CG1 4.49Å; M12-V539 HydrophobicContact CG-CG1 3.64Å; M12-V539 HydrophobicContact CG-CG2 4.13Å; M12-V539 HydrophobicContact SD-CG1 4.15Å; M12-V539 HydrophobicContact SD-CG2 3.86Å; M12-Q552 WeakPolarHBondContact O-CG 3.46Å; M12-Q552 PolarHBondContact O-NE2 3.16Å
13	S	27.7	Very low	25.7	Very low	41 Å²	41	111.9 Å²	111.9	29%	0.287	55%	0.547	S	S	.	.			trans	174	133.6	140.4	170.1	0	0	0	0	111.2
14	N	24	Very low	25.9	Very low	109 Å²	109	115.4 Å²	115.4	58%	0.583	56%	0.563	S	S	*	*			trans	-135.7	100.6	149.2	-98.9	-18.8	0	0	0	106.8	K546	N14-K546 WeakPolarHBondContact ND2-CE 3.26Å
15	Y	23.2	Very low	26.1	Very low	118 Å²	118	117.9 Å²	117.9	46%	0.463	59%	0.591	S	S	.	*			trans	-128.8	114.6	152.7	-116.9	-93.9	0	0	0	110.4	K509 D513	Y15-K509 WeakPolarHBondContact OH-CE 3.43Å; Y15-K509 PolarHBondContact OH-NZ 3.17Å; Y15-D513 WeakPolarHBondContact CE2-OD2 3.34Å
16	K	22.5	Very low	26.1	Very low	205 Å²	205	121.2 Å²	121.2	89%	0.891	61%	0.614	S	S	*	*			trans	-70.1	125	170.3	-79.1	174.8	171.8	176.1	0	108.1
17	R	24.1	Very low	26.2	Very low	237 Å²	237	120.5 Å²	120.5	89%	0.894	62%	0.615	S	S	*	*			trans	-128.1	130.9	151.5	-153.6	169.2	-173.1	158.7	0.1	111.2
18	A	24	Very low	26.5	Very low	80 Å²	80	123.7 Å²	123.7	66%	0.661	64%	0.636	S	S	*	*			trans	-70.7	146.7	-169.2	0	0	0	0	0	112.5
19	T	22.5	Very low	27.1	Very low	131 Å²	131	126.9 Å²	126.9	80%	0.804	66%	0.659	S	S	*	*			trans	-30.6	126.4	156.8	45.4	0	0	0	0	113.5
20	F	26.2	Very low	27.2	Very low	205 Å²	205	127.7 Å²	127.7	90%	0.899	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-94.8	120	153.7	-93.8	-81.6	0	0	0	108.4
21	E	28.8	Very low	27.4	Very low	183 Å²	183	132.1 Å²	132.1	86%	0.855	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-62.9	140.6	172.5	-71.1	168.6	139.8	0	0	110.7
22	E	24.3	Very low	27.6	Very low	194 Å²	194	134.7 Å²	134.7	91%	0.907	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-63	132	160.5	-66	173.6	143.3	0	0	108.9
23	E	30.8	Very low	27.9	Very low	196 Å²	196	137 Å²	137	92%	0.916	76%	0.757	S	S	*	*			trans	-114.9	134.1	159.8	-99.4	-168.6	164.7	0	0	110.1
24	D	28.1	Very low	28.2	Very low	160 Å²	160	142.8 Å²	142.8	86%	0.856	78%	0.783	S	S	*	*			trans	-61.3	153	-170.3	-75.5	-53.3	0	0	0	115.7
25	G	27.7	Very low	28.8	Very low	82 Å²	82	142.8 Å²	142.8	85%	0.845	79%	0.792	S	S	*	*			trans	-145.8	72.6	166.8	0	0	0	0	0	112.6
26	T	26	Very low	29.6	Very low	115 Å²	115	141.9 Å²	141.9	71%	0.706	80%	0.8	S	S	*	*			trans	-106.7	139.5	156.9	48.4	0	0	0	0	106.4
27	D	28.8	Very low	30.3	Very low	142 Å²	142	139.2 Å²	139.2	76%	0.759	80%	0.795	S	S	*	*			cis	-178.9	153	45.8	-122.1	-16.8	0	0	0	110.8
28	V	33	Very low	30.8	Very low	124 Å²	124	133.4 Å²	133.4	75%	0.752	79%	0.791	S	S	*	*			trans	87.8	143.2	138.6	175.2	0	0	0	0	121.8
29	P	38.9	Very low	31.4	Very low	107 Å²	107	135.4 Å²	135.4	70%	0.695	80%	0.795	S	S	*	*			trans	-108.7	178.4	-160.3	36.9	-20.1	0	0	0	114.4
30	V	31.4	Very low	32	Very low	125 Å²	125	138 Å²	138	76%	0.758	80%	0.798	S	S	*	*			trans	151.7	123.6	137.7	166	0	0	0	0	113.3
31	D	30.5	Very low	32.6	Very low	160 Å²	160	134.2 Å²	134.2	86%	0.856	79%	0.791	S	S	*	*			trans	45.1	138.7	146.4	-67.7	-25.3	0	0	0	127.3
32	G	31.5	Very low	33	Very low	77 Å²	77	128.5 Å²	128.5	79%	0.794	78%	0.781	S	S	*	*			trans	105.9	135.1	146.1	0	0	0	0	0	114.5
33	A	30.9	Very low	33.5	Very low	87 Å²	87	129.3 Å²	129.3	72%	0.719	78%	0.783	S	S	*	*			cis	-179.1	131.5	6.6	0	0	0	0	0	103.8
34	I	36	Very low	33.7	Very low	161 Å²	161	131.5 Å²	131.5	83%	0.826	78%	0.782	S	S	*	*				150	119.6	93.5	-85.4	147.7	0	0	0	108.1
35	S	35.2	Very low	34.2	Very low	110 Å²	110	134.2 Å²	134.2	77%	0.769	79%	0.787	S	S	*	*			trans	51.1	166	143	-106.5	0	0	0	0	124.1
36	P	41.2	Very low	34.6	Very low	99 Å²	99	133.2 Å²	133.2	64%	0.643	78%	0.776	S	S	*	*			cis	-137.5	177.8	-6.7	31.6	-8.9	0	0	0	116.4
37	D	36.2	Very low	35.1	Very low	148 Å²	148	131.3 Å²	131.3	79%	0.791	78%	0.779	S	S	*	*			trans	82.4	83.5	153.4	-59.6	-21.5	0	0	0	119.8
38	S	34.1	Very low	35.7	Very low	115 Å²	115	131.1 Å²	131.1	80%	0.804	78%	0.777	S	S	*	*			trans	-78.4	120.2	149.9	44.5	0	0	0	0	109.6	E40	S38-E40 PolarHBondContact O-N 3.37Å
39	V	37.7	Very low	36	Very low	123 Å²	123	133.8 Å²	133.8	75%	0.745	78%	0.781	S	S	*	*			trans	-80.7	105.2	168.8	176	0	0	0	0	108.1	V41	V39-V41 HydrophobicContact CG1-CG2 4.32Å; V39-V41 PolarHBondContact O-N 2.93Å; V39-V41 VanDerWaalsContact O-N 3.16Å
40	E	34.7	Very low	36.2	Very low	185 Å²	185	135.4 Å²	135.4	86%	0.864	78%	0.783	S	S	*	*			trans	-64	106	162	-76	-174	148.3	0	0	109.5	S38 G42	S38-E40 PolarHBondContact O-N 3.37Å; E40-G42 VanDerWaalsContact C-N 3.33Å; E40-G42 PolarHBondContact O-N 3.12Å; E40-G42 VanDerWaalsContact O-N 3.09Å
41	V	38.2	Very low	36.8	Very low	125 Å²	125	137.9 Å²	137.9	76%	0.758	78%	0.784	S	S	*	*			trans	-79.3	89.7	164.1	-175.9	0	0	0	0	107.5	V39 F43	V39-V41 HydrophobicContact CG1-CG2 4.32Å; V39-V41 PolarHBondContact O-N 2.93Å; V39-V41 VanDerWaalsContact O-N 3.16Å; V41-F43 PolarHBondContact O-N 2.9Å
42	G	36.8	Very low	37.6	Very low	63 Å²	63	132.6 Å²	132.6	65%	0.649	77%	0.767	S	S	*	*			trans	-59	120.9	169.6	0	0	0	0	0	110.9	E40 R44	E40-G42 VanDerWaalsContact C-N 3.33Å; E40-G42 PolarHBondContact O-N 3.12Å; E40-G42 VanDerWaalsContact O-N 3.09Å; G42-R44 VanDerWaalsContact C-N 3.26Å; G42-R44 PolarHBondContact O-N 3.28Å
43	F	34.7	Very low	38.3	Very low	212 Å²	212	135 Å²	135	93%	0.93	77%	0.769	S	S	*	*			trans	-63.2	86.2	164.2	-90.3	-91.9	0	0	0	109.6	V41 K45	V41-F43 PolarHBondContact O-N 2.9Å; F43-K45 PolarHBondContact O-N 3.2Å
44	R	36.8	Very low	39.2	Very low	242 Å²	242	138.5 Å²	138.5	91%	0.913	77%	0.774	S	S	*	*			trans	-69.9	110.5	157.6	-96.2	-174.7	174	-177.8	-0.1	107.5	G42 G46	G42-R44 VanDerWaalsContact C-N 3.26Å; G42-R44 PolarHBondContact O-N 3.28Å; R44-G46 PolarHBondContact O-N 3.18Å
45	K	37.8	Very low	39.7	Very low	217 Å²	217	133.5 Å²	133.5	94%	0.943	76%	0.763	S	S	*	*			trans	-59.1	78.1	155.7	-83.5	178.2	173.4	174.5	0	108.9	F43 G47	F43-K45 PolarHBondContact O-N 3.2Å; K45-G47 PolarHBondContact O-N 3.23Å
46	G	36.5	Very low	40.6	Very low	60 Å²	60	140.2 Å²	140.2	62%	0.619	77%	0.772	S	S	*	*			trans	-80.2	98.9	162.7	0	0	0	0	0	107.6	R44 I48	R44-G46 PolarHBondContact O-N 3.18Å; G46-I48 PolarHBondContact O-N 3.43Å
47	G	35.6	Very low	41.3	Very low	75 Å²	75	143.9 Å²	143.9	77%	0.773	77%	0.772	S	S	*	*			trans	-61.5	99.3	167.7	0	0	0	0	0	109.1	K45 Q49	K45-G47 PolarHBondContact O-N 3.23Å; G47-Q49 PolarHBondContact O-N 3.45Å; G47-Q49 VanDerWaalsContact O-N 3.09Å
48	I	41.6	Very low	43.1	Very low	139 Å²	139	140.8 Å²	140.8	71%	0.713	76%	0.759	S	S	*	*			trans	-71.5	100.4	165.3	-59.6	175.9	0	0	0	105.7	G46 L50	G46-I48 PolarHBondContact O-N 3.43Å; I48-L50 VanDerWaalsContact C-N 3.26Å; I48-L50 HydrophobicContact CG2-CD1 3.98Å; I48-L50 HydrophobicContact CG2-CG 3.85Å; I48-L50 PolarHBondContact O-N 2.9Å
49	Q	38.8	Very low	45	Very low	180 Å²	180	143.7 Å²	143.7	84%	0.841	76%	0.76	S	S	*	*			trans	-62.4	92.6	161.2	-83.3	-178.5	-34.7	0	0	108.1	G47 F51	G47-Q49 PolarHBondContact O-N 3.45Å; G47-Q49 VanDerWaalsContact O-N 3.09Å; Q49-F51 PolarHBondContact O-N 3.29Å
50	L	44.3	Very low	47.1	Very low	140 Å²	140	143.7 Å²	143.7	73%	0.733	76%	0.755	S	S	*	*	S	Bend	trans	-76.6	9.5	175	-102.5	144.6	0	0	0	113.6	I48	I48-L50 VanDerWaalsContact C-N 3.26Å; I48-L50 HydrophobicContact CG2-CD1 3.98Å; I48-L50 HydrophobicContact CG2-CG 3.85Å; I48-L50 PolarHBondContact O-N 2.9Å
51	F	44.5	Very low	49.1	Very low	178 Å²	178	139.4 Å²	139.4	78%	0.781	74%	0.735	S	S	*	*			trans	-140.9	81.7	173.6	-68.9	-80.9	0	0	0	110.5	Q49	Q49-F51 PolarHBondContact O-N 3.29Å
52	G	45.9	Very low	51	Low	49 Å²	49	137.6 Å²	137.6	51%	0.505	72%	0.724	S	S	.	*			trans	-67.9	156.8	156.8	0	0	0	0	0	110.2	L54	G52-L54 PolarHBondContact O-N 2.85Å; G52-L54 VanDerWaalsContact O-N 3.13Å
53	P	47.4	Very low	53.3	Low	126 Å²	126	138.9 Å²	138.9	82%	0.818	72%	0.719	S	S	*	*			trans	-64.6	121	-169.5	27.7	-32.2	0	0	0	109.6	G55	P53-G55 PolarHBondContact O-N 3.12Å
54	L	49.4	Very low	55.8	Low	161 Å²	161	133.6 Å²	133.6	84%	0.843	70%	0.7	S	S	*	*			trans	-63.2	20.4	169.6	-90.7	103.9	0	0	0	113.5	G52	G52-L54 PolarHBondContact O-N 2.85Å; G52-L54 VanDerWaalsContact O-N 3.13Å
55	G	45.9	Very low	58	Low	57 Å²	57	124.2 Å²	124.2	59%	0.588	67%	0.674	S	S	*	*			trans	-95	110.3	177.6	0	0	0	0	0	110.9	P53	P53-G55 PolarHBondContact O-N 3.12Å
56	R	53.6	Low	60.4	Low	251 Å²	251	115.8 Å²	115.8	95%	0.947	65%	0.649	S	S	*	*			trans	86.7	59.8	177.2	-55.8	179.9	173.3	-177.1	-1.9	116.1
57	R	57.5	Low	63	Low	175 Å²	175	118.1 Å²	118.1	66%	0.66	65%	0.647	S	S	*	*			trans	-95.4	135.6	146.5	-73	-173.5	-179	-178.8	0.7	108.8	E61 V62	R57-E61 VanDerWaalsContact CA-OE2 3.24Å; R57-E61 WeakPolarHBondContact CA-OE2 3.37Å; R57-E61 HydrophobicContact CB-CB 4.19Å; R57-V62 HydrophobicContact CB-CG2 3.99Å
58	T	73	Confident	65.6	Low	83 Å²	83	119.8 Å²	119.8	51%	0.509	64%	0.637	S	S	.	*			trans	-65.8	153	174.1	57.9	0	0	0	0	109.5	L60 E61 V62	T58-L60 PolarHBondContact O-N 3.49Å; T58-L60 VanDerWaalsContact O-N 3.08Å; T58-E61 PolarHBondContact N-OE2 2.71Å; T58-E61 PolarHBondContact O-N 3.18Å; T58-E61 WeakPolarHBondContact OG1-CG 3.3Å; T58-E61 PolarHBondContact OG1-OE2 3.1Å; T58-V62 PolarHBondContact O-N 2.9Å
59	Q	75.1	Confident	68	Low	176 Å²	176	118.5 Å²	118.5	82%	0.822	63%	0.631	S	S	*	*	H	α-helix	trans	-54.3	-32.5	178	-77.8	-154.3	-7.4	0	0	112	V62 V63	Q59-V62 PolarHBondContact O-N 3.09Å; Q59-V63 VanDerWaalsContact O-CG2 3.32Å; Q59-V63 WeakPolarHBondContact O-CG2 3.39Å; Q59-V63 PolarHBondContact O-N 2.66Å; Q59-V63 VanDerWaalsContact O-N 3.08Å
60	L	80.4	Confident	70.5	Confident	123 Å²	123	112.5 Å²	112.5	64%	0.644	61%	0.613	S	S	*	*	H	α-helix	trans	-61.8	-42.8	175.3	-159.7	88.3	0	0	0	112.6	T58 V63 L64	T58-L60 PolarHBondContact O-N 3.49Å; T58-L60 VanDerWaalsContact O-N 3.08Å; L60-V63 PolarHBondContact O-N 3.24Å; L60-L64 HydrophobicContact CD2-CD1 4.01Å; L60-L64 HydrophobicContact CG-CD1 4.02Å; L60-L64 WeakPolarHBondContact O-CB 3.39Å; L60-L64 VanDerWaalsContact O-CG 3.31Å; L60-L64 WeakPolarHBondContact O-CG 3.49Å; L60-L64 PolarHBondContact O-N 3.41Å
61	E	77.1	Confident	72.8	Confident	95 Å²	95	108.6 Å²	108.6	44%	0.444	60%	0.597	S	S	.	*	H	α-helix	trans	-68.8	-34.4	-180	-74.7	169.2	152.8	0	0	112.7	R57 T58 A65	R57-E61 VanDerWaalsContact CA-OE2 3.24Å; R57-E61 WeakPolarHBondContact CA-OE2 3.37Å; R57-E61 HydrophobicContact CB-CB 4.19Å; T58-E61 PolarHBondContact N-OE2 2.71Å; T58-E61 PolarHBondContact O-N 3.18Å; T58-E61 WeakPolarHBondContact OG1-CG 3.3Å; T58-E61 PolarHBondContact OG1-OE2 3.1Å; E61-A65 VanDerWaalsContact O-CB 3.25Å; E61-A65 WeakPolarHBondContact O-CB 3.04Å; E61-A65 PolarHBondContact O-N 3.36Å
62	V	78.7	Confident	75.1	Confident	88 Å²	88	104.8 Å²	104.8	53%	0.533	58%	0.584	S	S	.	*	H	α-helix	trans	-69	-42.8	174.7	179.4	0	0	0	0	110.5	R57 T58 Q59 A65 G66	R57-V62 HydrophobicContact CB-CG2 3.99Å; T58-V62 PolarHBondContact O-N 2.9Å; Q59-V62 PolarHBondContact O-N 3.09Å; V62-A65 PolarHBondContact O-N 3.16Å; V62-G66 PolarHBondContact O-N 2.85Å
63	V	85.4	Confident	77.4	Confident	90 Å²	90	107.8 Å²	107.8	55%	0.545	59%	0.588	S	S	.	*	H	α-helix	trans	-64.4	-44.5	175.7	172.1	0	0	0	0	111.1	Q59 L60 G66 L67	Q59-V63 VanDerWaalsContact O-CG2 3.32Å; Q59-V63 WeakPolarHBondContact O-CG2 3.39Å; Q59-V63 PolarHBondContact O-N 2.66Å; Q59-V63 VanDerWaalsContact O-N 3.08Å; L60-V63 PolarHBondContact O-N 3.24Å; V63-G66 PolarHBondContact O-N 3.1Å; V63-L67 HydrophobicContact CG1-CD1 3.99Å; V63-L67 HydrophobicContact CG1-CG 4.44Å; V63-L67 WeakPolarHBondContact O-CB 3.34Å; V63-L67 WeakPolarHBondContact O-CG 3.34Å; V63-L67 PolarHBondContact O-N 3.2Å
64	L	86.4	Confident	79.6	Confident	100 Å²	100	104.7 Å²	104.7	52%	0.524	57%	0.573	S	S	.	*	H	α-helix	trans	-64.1	-42.8	177.3	-77.5	166.1	0	0	0	112.1	L60 G66 L67 L68	L60-L64 HydrophobicContact CD2-CD1 4.01Å; L60-L64 HydrophobicContact CG-CD1 4.02Å; L60-L64 WeakPolarHBondContact O-CB 3.39Å; L60-L64 VanDerWaalsContact O-CG 3.31Å; L60-L64 WeakPolarHBondContact O-CG 3.49Å; L60-L64 PolarHBondContact O-N 3.41Å; L64-G66 VanDerWaalsContact C-N 3.33Å; L64-G66 PolarHBondContact O-N 3.02Å; L64-L67 PolarHBondContact O-N 3.44Å; L64-L68 VanDerWaalsContact O-CB 3.32Å; L64-L68 WeakPolarHBondContact O-CB 3.43Å; L64-L68 PolarHBondContact O-N 3.01Å
65	A	83.8	Confident	81.7	Confident	45 Å²	45	102.5 Å²	102.5	37%	0.372	56%	0.562	S	S	.	*	H	α-helix	trans	-64	-38.4	175	0	0	0	0	0	112	E61 V62 L68 L69	E61-A65 VanDerWaalsContact O-CB 3.25Å; E61-A65 WeakPolarHBondContact O-CB 3.04Å; E61-A65 PolarHBondContact O-N 3.36Å; V62-A65 PolarHBondContact O-N 3.16Å; A65-L68 PolarHBondContact O-N 3.23Å; A65-L69 WeakPolarHBondContact O-CB 3.43Å; A65-L69 PolarHBondContact O-N 3.33Å
66	G	87.6	Confident	84	Confident	40 Å²	40	106.5 Å²	106.5	41%	0.412	56%	0.563	S	S	.	*	H	α-helix	trans	-64.4	-44.3	174	0	0	0	0	0	112.9	V62 V63 L64 L69 A70	V62-G66 PolarHBondContact O-N 2.85Å; V63-G66 PolarHBondContact O-N 3.1Å; L64-G66 VanDerWaalsContact C-N 3.33Å; L64-G66 PolarHBondContact O-N 3.02Å; G66-L69 PolarHBondContact O-N 2.88Å; G66-A70 WeakPolarHBondContact O-CB 3.2Å; G66-A70 PolarHBondContact O-N 3.07Å
67	L	90.4	Very high	85.9	Confident	109 Å²	109	96.1 Å²	96.1	57%	0.571	53%	0.534	S	S	*	.	H	α-helix	trans	-64.3	-40.3	174.9	-74.6	170.5	0	0	0	111.8	V63 L64 A70 S71	V63-L67 HydrophobicContact CG1-CD1 3.99Å; V63-L67 HydrophobicContact CG1-CG 4.44Å; V63-L67 WeakPolarHBondContact O-CB 3.34Å; V63-L67 WeakPolarHBondContact O-CG 3.34Å; V63-L67 PolarHBondContact O-N 3.2Å; L64-L67 PolarHBondContact O-N 3.44Å; L67-A70 PolarHBondContact O-N 2.99Å; L67-S71 WeakPolarHBondContact O-CB 3.24Å; L67-S71 PolarHBondContact O-N 3.31Å; L67-S71 PolarHBondContact O-OG 3.33Å
68	L	91.1	Very high	87.5	Confident	111 Å²	111	91.1 Å²	91.1	58%	0.581	53%	0.525	S	S	*	.	H	α-helix	trans	-65.8	-44.1	178.1	-153.7	119.5	0	0	0	110.8	L64 A65 S71 L72	L64-L68 VanDerWaalsContact O-CB 3.32Å; L64-L68 WeakPolarHBondContact O-CB 3.43Å; L64-L68 PolarHBondContact O-N 3.01Å; A65-L68 PolarHBondContact O-N 3.23Å; L68-S71 WeakPolarHBondContact CA-OG 3.28Å; L68-S71 PolarHBondContact O-N 3.01Å; L68-S71 PolarHBondContact O-OG 3.2Å; L68-L72 HydrophobicContact CD2-CD1 3.9Å; L68-L72 WeakPolarHBondContact O-CB 3.37Å; L68-L72 WeakPolarHBondContact O-CG 3.37Å; L68-L72 PolarHBondContact O-N 2.97Å
69	L	90.9	Very high	88.4	Confident	111 Å²	111	90 Å²	90	58%	0.581	52%	0.524	S	S	*	.	H	α-helix	trans	-62.3	-44.2	174.5	-164	81.8	0	0	0	111.7	A65 G66 S71 L72 L73	A65-L69 WeakPolarHBondContact O-CB 3.43Å; A65-L69 PolarHBondContact O-N 3.33Å; G66-L69 PolarHBondContact O-N 2.88Å; L69-S71 VanDerWaalsContact C-N 3.33Å; L69-S71 PolarHBondContact O-N 3.39Å; L69-L72 PolarHBondContact O-N 2.89Å; L69-L73 HydrophobicContact CG-CD1 4.35Å; L69-L73 WeakPolarHBondContact O-CB 3.45Å; L69-L73 WeakPolarHBondContact O-CG 3.37Å; L69-L73 PolarHBondContact O-N 2.9Å
70	A	92.1	Very high	89.1	Confident	55 Å²	55	84.9 Å²	84.9	46%	0.455	51%	0.505	S	S	.	.	H	α-helix	trans	-62.2	-40.7	176.1	0	0	0	0	0	111.9	G66 L67 L73 A74	G66-A70 WeakPolarHBondContact O-CB 3.2Å; G66-A70 PolarHBondContact O-N 3.07Å; L67-A70 PolarHBondContact O-N 2.99Å; A70-L73 PolarHBondContact O-N 3.2Å; A70-A74 WeakPolarHBondContact O-CB 3.37Å; A70-A74 PolarHBondContact O-N 3.36Å
71	S	91.9	Very high	89.5	Confident	58 Å²	58	82.9 Å²	82.9	41%	0.406	50%	0.498	S	S	.	.	H	α-helix	trans	-67.9	-38	176.6	70	0	0	0	0	112.8	L67 L68 L69 A74 L75	L67-S71 WeakPolarHBondContact O-CB 3.24Å; L67-S71 PolarHBondContact O-N 3.31Å; L67-S71 PolarHBondContact O-OG 3.33Å; L68-S71 WeakPolarHBondContact CA-OG 3.28Å; L68-S71 PolarHBondContact O-N 3.01Å; L68-S71 PolarHBondContact O-OG 3.2Å; L69-S71 VanDerWaalsContact C-N 3.33Å; L69-S71 PolarHBondContact O-N 3.39Å; S71-A74 PolarHBondContact O-N 3.26Å; S71-L75 WeakPolarHBondContact O-CB 3.41Å; S71-L75 WeakPolarHBondContact O-CG 3.47Å; S71-L75 PolarHBondContact O-N 3.07Å
72	L	94	Very high	89.8	Confident	97 Å²	97	84.1 Å²	84.1	51%	0.508	51%	0.507	S	S	.	.	H	α-helix	trans	-67.4	-41.3	174.5	-76.3	168.2	0	0	0	111.7	L68 L69 L75 F76	L68-L72 HydrophobicContact CD2-CD1 3.9Å; L68-L72 WeakPolarHBondContact O-CB 3.37Å; L68-L72 WeakPolarHBondContact O-CG 3.37Å; L68-L72 PolarHBondContact O-N 2.97Å; L69-L72 PolarHBondContact O-N 2.89Å; L72-L75 PolarHBondContact O-N 3.35Å; L72-F76 WeakPolarHBondContact O-CB 3.38Å; L72-F76 PolarHBondContact O-N 2.82Å
73	L	93.8	Very high	90	Very high	112 Å²	112	81.5 Å²	81.5	59%	0.586	50%	0.498	S	S	*	.	H	α-helix	trans	-65.6	-39.6	174.4	-73.3	170.6	0	0	0	111.7	L69 A70 F76 G77	L69-L73 HydrophobicContact CG-CD1 4.35Å; L69-L73 WeakPolarHBondContact O-CB 3.45Å; L69-L73 WeakPolarHBondContact O-CG 3.37Å; L69-L73 PolarHBondContact O-N 2.9Å; A70-L73 PolarHBondContact O-N 3.2Å; L73-F76 PolarHBondContact O-N 2.78Å; L73-G77 PolarHBondContact O-N 3.33Å
74	A	93.8	Very high	89.7	Confident	61 Å²	61	80.7 Å²	80.7	50%	0.504	49%	0.493	S	S	.	.	H	α-helix	trans	-65.3	-42.4	174.1	0	0	0	0	0	111.9	A70 S71 G77 C78	A70-A74 WeakPolarHBondContact O-CB 3.37Å; A70-A74 PolarHBondContact O-N 3.36Å; S71-A74 PolarHBondContact O-N 3.26Å; A74-G77 PolarHBondContact O-N 2.86Å; A74-C78 WeakPolarHBondContact O-CB 3.25Å; A74-C78 PolarHBondContact O-N 2.93Å
75	L	93.6	Very high	89.3	Confident	115 Å²	115	85.6 Å²	85.6	60%	0.602	51%	0.505	S	S	*	.	H	α-helix	trans	-63.6	-41.9	174.3	-85	162.8	0	0	0	112	S71 L72 C78 A79	S71-L75 WeakPolarHBondContact O-CB 3.41Å; S71-L75 WeakPolarHBondContact O-CG 3.47Å; S71-L75 PolarHBondContact O-N 3.07Å; L72-L75 PolarHBondContact O-N 3.35Å; L75-C78 PolarHBondContact O-N 3.5Å; L75-A79 WeakPolarHBondContact O-CB 3.44Å; L75-A79 PolarHBondContact O-N 3.26Å
76	F	92.9	Very high	88.8	Confident	142 Å²	142	89.8 Å²	89.8	62%	0.623	51%	0.512	S	S	*	.	H	α-helix	trans	-63.9	-44.1	174.5	-175	-101.2	0	0	0	111.1	L72 L73 C78 A79 V80	L72-F76 WeakPolarHBondContact O-CB 3.38Å; L72-F76 PolarHBondContact O-N 2.82Å; L73-F76 PolarHBondContact O-N 2.78Å; F76-C78 PolarHBondContact O-N 2.87Å; F76-A79 PolarHBondContact O-N 3.05Å; F76-V80 HydrophobicContact CD1-CG2 4.06Å; F76-V80 HydrophobicContact CE1-CG2 3.7Å; F76-V80 HydrophobicContact CE2-CG2 4.27Å; F76-V80 HydrophobicContact CZ-CG2 3.82Å; F76-V80 WeakPolarHBondContact O-CB 3.35Å; F76-V80 VanDerWaalsContact O-CG2 3.3Å; F76-V80 WeakPolarHBondContact O-CG2 3.4Å; F76-V80 PolarHBondContact O-N 3.34Å
77	G	93.4	Very high	87.8	Confident	32 Å²	32	94.1 Å²	94.1	33%	0.33	53%	0.526	S	S	.	.	H	α-helix	trans	-59.4	-42.7	173	0	0	0	0	0	112.8	L73 A74 T81	L73-G77 PolarHBondContact O-N 3.33Å; A74-G77 PolarHBondContact O-N 2.86Å; G77-T81 WeakPolarHBondContact O-CB 3.41Å; G77-T81 WeakPolarHBondContact O-CG2 3.45Å; G77-T81 PolarHBondContact O-N 3.36Å; G77-T81 PolarHBondContact O-OG1 2.93Å
78	C	92.6	Very high	86.7	Confident	70 Å²	70	98.6 Å²	98.6	47%	0.473	54%	0.535	S	S	.	.	H	α-helix	trans	-62.8	-44.4	172.4	-83	0	0	0	0	112	A74 L75 F76 T81 L82	A74-C78 WeakPolarHBondContact O-CB 3.25Å; A74-C78 PolarHBondContact O-N 2.93Å; L75-C78 PolarHBondContact O-N 3.5Å; F76-C78 PolarHBondContact O-N 2.87Å; C78-T81 VanDerWaalsContact CA-OG1 3.3Å; C78-T81 WeakPolarHBondContact CA-OG1 3.37Å; C78-T81 PolarHBondContact O-N 3.15Å; C78-T81 PolarHBondContact O-OG1 3.18Å; C78-L82 VanDerWaalsContact O-CB 3.27Å; C78-L82 WeakPolarHBondContact O-CB 3.48Å; C78-L82 PolarHBondContact O-N 2.89Å
79	A	90.6	Very high	85.5	Confident	59 Å²	59	96.9 Å²	96.9	49%	0.488	53%	0.526	S	S	.	.	H	α-helix	trans	-65.2	-40.9	178.3	0	0	0	0	0	112	L75 F76 G83	L75-A79 WeakPolarHBondContact O-CB 3.44Å; L75-A79 PolarHBondContact O-N 3.26Å; F76-A79 PolarHBondContact O-N 3.05Å; A79-G83 PolarHBondContact O-N 2.59Å
80	V	90.3	Very high	84	Confident	69 Å²	69	95.4 Å²	95.4	42%	0.418	52%	0.523	S	S	.	.	H	α-helix	trans	-65.9	-44.2	174.9	171.7	0	0	0	0	110.5	F76 G83 V84	F76-V80 HydrophobicContact CD1-CG2 4.06Å; F76-V80 HydrophobicContact CE1-CG2 3.7Å; F76-V80 HydrophobicContact CE2-CG2 4.27Å; F76-V80 HydrophobicContact CZ-CG2 3.82Å; F76-V80 WeakPolarHBondContact O-CB 3.35Å; F76-V80 VanDerWaalsContact O-CG2 3.3Å; F76-V80 WeakPolarHBondContact O-CG2 3.4Å; F76-V80 PolarHBondContact O-N 3.34Å; V80-G83 PolarHBondContact O-N 2.8Å; V80-V84 HydrophobicContact CG1-CG2 4.34Å; V80-V84 WeakPolarHBondContact O-CB 3.3Å; V80-V84 VanDerWaalsContact O-CG2 3.23Å; V80-V84 WeakPolarHBondContact O-CG2 3.38Å; V80-V84 PolarHBondContact O-N 3.2Å
81	T	88.3	Confident	82.5	Confident	81 Å²	81	95.5 Å²	95.5	50%	0.497	52%	0.524	S	S	.	.	H	α-helix	trans	-68.5	-38.1	177.8	47	0	0	0	0	112.9	G77 C78 R85	G77-T81 WeakPolarHBondContact O-CB 3.41Å; G77-T81 WeakPolarHBondContact O-CG2 3.45Å; G77-T81 PolarHBondContact O-N 3.36Å; G77-T81 PolarHBondContact O-OG1 2.93Å; C78-T81 VanDerWaalsContact CA-OG1 3.3Å; C78-T81 WeakPolarHBondContact CA-OG1 3.37Å; C78-T81 PolarHBondContact O-N 3.15Å; C78-T81 PolarHBondContact O-OG1 3.18Å; T81-R85 WeakPolarHBondContact O-CB 3.39Å; T81-R85 WeakPolarHBondContact O-CG 3.35Å; T81-R85 PolarHBondContact O-N 3.05Å
82	L	85	Confident	81.5	Confident	121 Å²	121	98.4 Å²	98.4	63%	0.634	53%	0.526	S	S	*	.	H	α-helix	trans	-63.4	-44.4	169.8	-92.3	146.6	0	0	0	110.9	C78 R85 Y86	C78-L82 VanDerWaalsContact O-CB 3.27Å; C78-L82 WeakPolarHBondContact O-CB 3.48Å; C78-L82 PolarHBondContact O-N 2.89Å; L82-R85 PolarHBondContact O-N 3.19Å; L82-Y86 WeakPolarHBondContact O-CB 3.48Å; L82-Y86 PolarHBondContact O-N 3.42Å
83	G	81.7	Confident	81.1	Confident	34 Å²	34	96.6 Å²	96.6	35%	0.351	52%	0.522	S	S	.	.	H	α-helix	trans	-62.1	-42.9	176	0	0	0	0	0	112.8	A79 V80 Y86 N87	A79-G83 PolarHBondContact O-N 2.59Å; V80-G83 PolarHBondContact O-N 2.8Å; G83-Y86 PolarHBondContact O-N 3.32Å; G83-N87 WeakPolarHBondContact O-CB 3.48Å; G83-N87 PolarHBondContact O-N 2.82Å
84	V	80.4	Confident	81	Confident	73 Å²	73	93.7 Å²	93.7	44%	0.442	51%	0.506	S	S	.	.	H	α-helix	trans	-66.8	-42.2	175.1	170.6	0	0	0	0	111.2	V80 N87 R88	V80-V84 HydrophobicContact CG1-CG2 4.34Å; V80-V84 WeakPolarHBondContact O-CB 3.3Å; V80-V84 VanDerWaalsContact O-CG2 3.23Å; V80-V84 WeakPolarHBondContact O-CG2 3.38Å; V80-V84 PolarHBondContact O-N 3.2Å; V84-N87 PolarHBondContact O-N 3.04Å; V84-R88 VanDerWaalsContact O-CB 3.26Å; V84-R88 WeakPolarHBondContact O-CB 3.38Å; V84-R88 WeakPolarHBondContact O-CG 2.94Å; V84-R88 PolarHBondContact O-N 2.61Å
85	R	77.9	Confident	81	Confident	202 Å²	202	91.6 Å²	91.6	76%	0.762	49%	0.488	S	S	*	.	H	α-helix	trans	-65.4	-39.5	174.2	-80.5	-172.6	178	178.8	0.6	112	T81 L82 R88 D89	T81-R85 WeakPolarHBondContact O-CB 3.39Å; T81-R85 WeakPolarHBondContact O-CG 3.35Å; T81-R85 PolarHBondContact O-N 3.05Å; L82-R85 PolarHBondContact O-N 3.19Å; R85-R88 CarbonylContact O-C 3.53Å; R85-R88 PolarHBondContact O-N 2.94Å; R85-D89 PolarHBondContact O-N 3.28Å
86	Y	72.6	Confident	81.1	Confident	133 Å²	133	91.6 Å²	91.6	52%	0.522	49%	0.488	S	S	.	.	H	α-helix	trans	-68	-36.1	178.6	-171	-111.5	0	0	0	112.2	L82 G83 R92	L82-Y86 WeakPolarHBondContact O-CB 3.48Å; L82-Y86 PolarHBondContact O-N 3.42Å; G83-Y86 PolarHBondContact O-N 3.32Å; Y86-R92 PolarHBondContact OH-NH2 3.22Å
87	N	67.7	Low	81.1	Confident	132 Å²	132	88.5 Å²	88.5	71%	0.706	48%	0.48	S	S	*	.	H	α-helix	trans	-76.2	-23.9	170.7	-94	-1.6	0	0	0	113.5	G83 V84	G83-N87 WeakPolarHBondContact O-CB 3.48Å; G83-N87 PolarHBondContact O-N 2.82Å; V84-N87 PolarHBondContact O-N 3.04Å
88	R	66.3	Low	81.2	Confident	203 Å²	203	95 Å²	95	77%	0.766	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-0.8	176.6	-84.1	-174.7	161.5	169.1	-3.7	114.4	V84 R85 P90	V84-R88 VanDerWaalsContact O-CB 3.26Å; V84-R88 WeakPolarHBondContact O-CB 3.38Å; V84-R88 WeakPolarHBondContact O-CG 2.94Å; V84-R88 PolarHBondContact O-N 2.61Å; R85-R88 CarbonylContact O-C 3.53Å; R85-R88 PolarHBondContact O-N 2.94Å; R88-P90 WeakPolarHBondContact O-CD 3.34Å; R88-P90 VanDerWaalsContact O-N 3.15Å
89	D	64.9	Low	81.3	Confident	74 Å²	74	92.4 Å²	92.4	40%	0.396	49%	0.486	S	S	.	.			trans	-62.5	115.2	178.3	-168.6	-18.2	0	0	0	109.8	R85 A91 R92	R85-D89 PolarHBondContact O-N 3.28Å; D89-A91 PolarHBondContact O-N 3.45Å; D89-A91 VanDerWaalsContact O-N 3.08Å; D89-A91 VanDerWaalsContact OD1-CB 3.31Å; D89-A91 WeakPolarHBondContact OD1-CB 3.34Å; D89-A91 PolarHBondContact OD1-N 3.31Å; D89-R92 PolarHBondContact O-N 2.91Å
90	P	59.7	Low	81.5	Confident	80 Å²	80	89.9 Å²	89.9	52%	0.519	47%	0.465	S	S	.	.	H	α-helix	trans	-54.3	-31	179.1	-23.4	33.2	0	0	0	112.2	R88 R92 S93 I94	R88-P90 WeakPolarHBondContact O-CD 3.34Å; R88-P90 VanDerWaalsContact O-N 3.15Å; P90-R92 PolarHBondContact O-N 3.45Å; P90-S93 PolarHBondContact O-N 3.3Å; P90-S93 PolarHBondContact O-OG 3.39Å; P90-I94 HydrophobicContact CB-CD1 4.32Å; P90-I94 VanDerWaalsContact O-CG1 3.32Å; P90-I94 WeakPolarHBondContact O-CG1 3.36Å; P90-I94 PolarHBondContact O-N 3.05Å
91	A	61.6	Low	81.8	Confident	57 Å²	57	90.1 Å²	90.1	47%	0.471	47%	0.466	S	S	.	.	H	α-helix	trans	-62.6	-21.2	178.8	0	0	0	0	0	113.4	D89	D89-A91 PolarHBondContact O-N 3.45Å; D89-A91 VanDerWaalsContact O-N 3.08Å; D89-A91 VanDerWaalsContact OD1-CB 3.31Å; D89-A91 WeakPolarHBondContact OD1-CB 3.34Å; D89-A91 PolarHBondContact OD1-N 3.31Å
92	R	71	Confident	82.2	Confident	119 Å²	119	89.5 Å²	89.5	45%	0.449	46%	0.462	S	S	.	.	H	α-helix	trans	-85.2	-26.5	173	-83	-178.9	152.3	-146	-10.5	113.7	Y86 D89 P90 K688	Y86-R92 PolarHBondContact OH-NH2 3.22Å; D89-R92 PolarHBondContact O-N 2.91Å; P90-R92 PolarHBondContact O-N 3.45Å; R92-K688 VanDerWaalsContact O-CE 3.31Å; R92-K688 WeakPolarHBondContact O-CE 3.45Å
93	S	85.3	Confident	82.8	Confident	60 Å²	60	84.2 Å²	84.2	42%	0.42	44%	0.435	S	S	.	.	H	α-helix	trans	-86.1	-11.4	179.3	67.6	0	0	0	0	114.1	P90 K688 R689	P90-S93 PolarHBondContact O-N 3.3Å; P90-S93 PolarHBondContact O-OG 3.39Å; S93-K688 CarbonylContact O-C 3.48Å; S93-K688 WeakPolarHBondContact O-CA 3.42Å; S93-R689 PolarHBondContact O-N 3.24Å
94	I	92.7	Very high	83.5	Confident	50 Å²	50	82.8 Å²	82.8	26%	0.256	42%	0.42	S	S	.	.	B	Isolated β-bridge	trans	-106.9	136.7	-176.3	-62.9	168.1	0	0	0	109.9	P90 L96 R689 P691	P90-I94 HydrophobicContact CB-CD1 4.32Å; P90-I94 VanDerWaalsContact O-CG1 3.32Å; P90-I94 WeakPolarHBondContact O-CG1 3.36Å; P90-I94 PolarHBondContact O-N 3.05Å; I94-L96 HydrophobicContact CG2-CD2 3.75Å; I94-L96 HydrophobicContact CG2-CG 4.16Å; I94-R689 CarbonylContact C-O 3.56Å; I94-R689 WeakPolarHBondContact CA-O 3.37Å; I94-P691 HydrophobicContact CG2-CB 3.72Å; I94-P691 HydrophobicContact CG2-CG 4.4Å
95	C	93.9	Very high	84.3	Confident	18 Å²	18	82.2 Å²	82.2	12%	0.122	42%	0.419	C	S	.	.			trans	-82.7	116.6	172.9	-174.1	0	0	0	0	110.1	T97 C100 K688 R689 P691	C95-T97 PolarHBondContact SG-OG1 2.82Å; C95-T97 VanDerWaalsContact SG-OG1 3.35Å; C95-C100 HydrophobicContact CB-CB 3.6Å; C95-C100 WeakPolarHBondContact CB-SG 3.39Å; C95-C100 WeakPolarHBondContact O-CB 3.34Å; C95-C100 WeakPolarHBondContact SG-CB 3.33Å; C95-C100 CovalentContact SG-SG 2.03Å; C95-C100 PolarHBondContact SG-SG 3.36Å; C95-K688 HydrophobicContact CB-CB 3.94Å; C95-R689 PolarHBondContact N-O 2.96Å; C95-P691 VanDerWaalsContact O-CD 3.27Å; C95-P691 WeakPolarHBondContact O-CD 3.36Å
96	L	93.9	Very high	85.2	Confident	115 Å²	115	79 Å²	79	60%	0.602	41%	0.411	S	S	*	.			trans	-113.9	20.9	-179.3	-61.9	176.9	0	0	0	112.8	I94 P691	I94-L96 HydrophobicContact CG2-CD2 3.75Å; I94-L96 HydrophobicContact CG2-CG 4.16Å; L96-P691 HydrophobicContact CD2-CB 4.14Å; L96-P691 HydrophobicContact CD2-CG 4.4Å
97	T	94.3	Very high	86.4	Confident	76 Å²	76	72.9 Å²	72.9	47%	0.466	39%	0.387	S	S	.	.	S	Bend	trans	-67.2	156.3	169.7	62.7	0	0	0	0	109.9	C95 A99 C100 V101	C95-T97 PolarHBondContact SG-OG1 2.82Å; C95-T97 VanDerWaalsContact SG-OG1 3.35Å; T97-A99 VanDerWaalsContact C-N 3.26Å; T97-A99 PolarHBondContact O-N 3.16Å; T97-C100 PolarHBondContact O-N 3.35Å; T97-C100 VanDerWaalsContact O-N 3.13Å; T97-C100 WeakPolarHBondContact OG1-CB 3.46Å; T97-C100 PolarHBondContact OG1-N 3.42Å; T97-C100 PolarHBondContact OG1-SG 3.39Å; T97-V101 WeakPolarHBondContact O-CG2 3.45Å; T97-V101 PolarHBondContact O-N 2.94Å
98	E	95.3	Very high	87.8	Confident	168 Å²	168	69.1 Å²	69.1	79%	0.785	37%	0.369	S	S	*	.	H	α-helix	trans	-54.9	-43.6	178	-177.3	176.7	174.5	0	0	112.1	C100 V101 T102	E98-C100 PolarHBondContact O-N 2.96Å; E98-V101 PolarHBondContact O-N 3.24Å; E98-T102 WeakPolarHBondContact O-CB 3.28Å; E98-T102 PolarHBondContact O-N 3.2Å; E98-T102 PolarHBondContact O-OG1 3.01Å
99	A	93.8	Very high	89.3	Confident	17 Å²	17	64 Å²	64	14%	0.14	35%	0.354	C	S	.	.	H	α-helix	trans	-57	-49.9	175	0	0	0	0	0	112.1	T97 V101 T102 V103 D586	T97-A99 VanDerWaalsContact C-N 3.26Å; T97-A99 PolarHBondContact O-N 3.16Å; A99-V101 PolarHBondContact O-N 3.33Å; A99-T102 PolarHBondContact O-N 3.39Å; A99-V103 WeakPolarHBondContact O-CG1 3.46Å; A99-V103 PolarHBondContact O-N 3.27Å; A99-D586 HydrophobicContact CB-CB 3.89Å; A99-D586 WeakPolarHBondContact CB-OD2 3.15Å
100	C	96	Very high	90.9	Very high	5 Å²	5	60.8 Å²	60.8	3%	0.034	34%	0.337	C	S	.	.	H	α-helix	trans	-62.3	-40.9	179	-76.7	0	0	0	0	112.7	C95 T97 E98 V103 A104 L690	C95-C100 HydrophobicContact CB-CB 3.6Å; C95-C100 WeakPolarHBondContact CB-SG 3.39Å; C95-C100 WeakPolarHBondContact O-CB 3.34Å; C95-C100 WeakPolarHBondContact SG-CB 3.33Å; C95-C100 CovalentContact SG-SG 2.03Å; C95-C100 PolarHBondContact SG-SG 3.36Å; T97-C100 PolarHBondContact O-N 3.35Å; T97-C100 VanDerWaalsContact O-N 3.13Å; T97-C100 WeakPolarHBondContact OG1-CB 3.46Å; T97-C100 PolarHBondContact OG1-N 3.42Å; T97-C100 PolarHBondContact OG1-SG 3.39Å; E98-C100 PolarHBondContact O-N 2.96Å; C100-V103 WeakPolarHBondContact O-CG1 3.25Å; C100-A104 WeakPolarHBondContact O-CB 3.39Å; C100-A104 PolarHBondContact O-N 3.38Å; C100-L690 HydrophobicContact CB-CD2 3.78Å
101	V	96.5	Very high	92.7	Very high	74 Å²	74	57.4 Å²	57.4	45%	0.448	32%	0.315	S	S	.	.	H	α-helix	trans	-66.9	-42.6	177.2	174.6	0	0	0	0	110.8	T97 E98 A99 A104 S105 P691	T97-V101 WeakPolarHBondContact O-CG2 3.45Å; T97-V101 PolarHBondContact O-N 2.94Å; E98-V101 PolarHBondContact O-N 3.24Å; A99-V101 PolarHBondContact O-N 3.33Å; V101-A104 PolarHBondContact O-N 2.95Å; V101-S105 PolarHBondContact O-N 2.76Å; V101-P691 HydrophobicContact CG2-CG 4.23Å
102	T	96.6	Very high	94.5	Very high	68 Å²	68	55.2 Å²	55.2	42%	0.417	30%	0.295	S	S	.	.	H	α-helix	trans	-64.9	-48.8	-179.5	-59.2	0	0	0	0	111.6	E98 A99 S105 K106	E98-T102 WeakPolarHBondContact O-CB 3.28Å; E98-T102 PolarHBondContact O-N 3.2Å; E98-T102 PolarHBondContact O-OG1 3.01Å; A99-T102 PolarHBondContact O-N 3.39Å; T102-S105 WeakPolarHBondContact O-CB 3.45Å; T102-S105 PolarHBondContact O-N 3.38Å; T102-K106 PolarHBondContact O-N 2.95Å; T102-K106 VanDerWaalsContact O-N 3.14Å
103	V	96.8	Very high	95.7	Very high	10 Å²	10	55.3 Å²	55.3	6%	0.061	30%	0.295	C	S	.	.	H	α-helix	trans	-67.4	-38.6	179.1	74.2	0	0	0	0	111.5	A99 C100 S105 K106 I107 L591 L690	A99-V103 WeakPolarHBondContact O-CG1 3.46Å; A99-V103 PolarHBondContact O-N 3.27Å; C100-V103 WeakPolarHBondContact O-CG1 3.25Å; V103-S105 VanDerWaalsContact C-N 3.3Å; V103-S105 PolarHBondContact O-N 2.84Å; V103-K106 PolarHBondContact O-N 3.41Å; V103-I107 HydrophobicContact CG2-CD1 4.1Å; V103-I107 WeakPolarHBondContact O-CD1 3.49Å; V103-I107 WeakPolarHBondContact O-CG1 3.45Å; V103-I107 PolarHBondContact O-N 3.4Å; V103-L591 HydrophobicContact CG1-CD1 4.3Å; V103-L591 HydrophobicContact CG2-CD1 3.53Å; V103-L690 HydrophobicContact CG1-CD1 3.91Å; V103-L690 HydrophobicContact CG1-CD2 3.85Å
104	A	97.5	Very high	96.3	Very high	4 Å²	4	57.5 Å²	57.5	3%	0.033	31%	0.311	C	S	.	.	H	α-helix	trans	-59	-42.4	174.4	0	0	0	0	0	112.1	C100 V101 I107 V108 L690 P691 V693	C100-A104 WeakPolarHBondContact O-CB 3.39Å; C100-A104 PolarHBondContact O-N 3.38Å; V101-A104 PolarHBondContact O-N 2.95Å; A104-I107 PolarHBondContact O-N 3.44Å; A104-V108 VanDerWaalsContact O-CG2 3.32Å; A104-V108 WeakPolarHBondContact O-CG2 3.47Å; A104-V108 PolarHBondContact O-N 3.47Å; A104-L690 HydrophobicContact CB-CB 4.14Å; A104-L690 HydrophobicContact CB-CD1 4.41Å; A104-P691 HydrophobicContact CB-CG 4.03Å; A104-P691 WeakPolarHBondContact CB-O 3.39Å; A104-V693 HydrophobicContact CB-CG2 3.82Å
105	S	97	Very high	96.5	Very high	61 Å²	61	56 Å²	56	43%	0.427	31%	0.306	S	S	.	.	H	α-helix	trans	-59.3	-51	175.1	-169.6	0	0	0	0	111.1	V101 T102 V103 I107 V108 E109	V101-S105 PolarHBondContact O-N 2.76Å; T102-S105 WeakPolarHBondContact O-CB 3.45Å; T102-S105 PolarHBondContact O-N 3.38Å; V103-S105 VanDerWaalsContact C-N 3.3Å; V103-S105 PolarHBondContact O-N 2.84Å; S105-I107 VanDerWaalsContact C-N 3.32Å; S105-I107 PolarHBondContact O-N 3.4Å; S105-V108 PolarHBondContact O-N 3.49Å; S105-E109 WeakPolarHBondContact O-CG 3.5Å; S105-E109 PolarHBondContact O-N 2.97Å
106	K	96.2	Very high	96.7	Very high	135 Å²	135	59 Å²	59	59%	0.587	32%	0.321	S	S	*	.	H	α-helix	trans	-57	-43.3	178.5	-70	-178.8	178.6	-179.6	0	112.4	T102 V103 E109 A110	T102-K106 PolarHBondContact O-N 2.95Å; T102-K106 VanDerWaalsContact O-N 3.14Å; V103-K106 PolarHBondContact O-N 3.41Å; K106-E109 PolarHBondContact O-N 3.06Å; K106-A110 PolarHBondContact O-N 2.85Å; K106-A110 VanDerWaalsContact O-N 3.12Å
107	I	97.9	Very high	97	Very high	4 Å²	4	54.7 Å²	54.7	2%	0.021	30%	0.3	C	S	.	.	H	α-helix	trans	-62.2	-50.8	176.9	-69.5	155.9	0	0	0	110.7	V103 A104 S105 E109 A110 L111 L591 L690 V693 L700 V703 Q707	V103-I107 HydrophobicContact CG2-CD1 4.1Å; V103-I107 WeakPolarHBondContact O-CD1 3.49Å; V103-I107 WeakPolarHBondContact O-CG1 3.45Å; V103-I107 PolarHBondContact O-N 3.4Å; A104-I107 PolarHBondContact O-N 3.44Å; S105-I107 VanDerWaalsContact C-N 3.32Å; S105-I107 PolarHBondContact O-N 3.4Å; I107-E109 VanDerWaalsContact C-N 3.25Å; I107-E109 PolarHBondContact O-N 3.22Å; I107-A110 PolarHBondContact O-N 2.94Å; I107-A110 VanDerWaalsContact O-N 3.1Å; I107-L111 HydrophobicContact CG2-CD1 4.08Å; I107-L111 HydrophobicContact CG2-CG 4.27Å; I107-L111 WeakPolarHBondContact O-CG 3.28Å; I107-L111 PolarHBondContact O-N 3.05Å; I107-L591 HydrophobicContact CD1-CD1 3.86Å; I107-L591 HydrophobicContact CD1-CD2 4.18Å; I107-L690 HydrophobicContact CD1-CD1 3.55Å; I107-V693 HydrophobicContact CG2-CG1 3.94Å; I107-V693 HydrophobicContact CG2-CG2 4.4Å; I107-L700 HydrophobicContact CD1-CD1 3.7Å; I107-V703 HydrophobicContact CG2-CG1 3.99Å; I107-Q707 PolarHBondContact O-NE2 3.32Å
108	V	97.5	Very high	97.2	Very high	53 Å²	53	51.3 Å²	51.3	32%	0.321	28%	0.279	S	S	.	.	H	α-helix	trans	-61.1	-36.5	-178.5	169.9	0	0	0	0	111.6	A104 S105 V693	A104-V108 VanDerWaalsContact O-CG2 3.32Å; A104-V108 WeakPolarHBondContact O-CG2 3.47Å; A104-V108 PolarHBondContact O-N 3.47Å; S105-V108 PolarHBondContact O-N 3.49Å; V108-V693 HydrophobicContact CG2-CG2 4.13Å
109	E	97.1	Very high	97.3	Very high	96 Å²	96	47.5 Å²	47.5	45%	0.449	26%	0.261	S	S	.	.	H	α-helix	trans	-68	-33.6	176	-71.4	-167.4	164.5	0	0	113.6	S105 K106 I107 G128 K132	S105-E109 WeakPolarHBondContact O-CG 3.5Å; S105-E109 PolarHBondContact O-N 2.97Å; K106-E109 PolarHBondContact O-N 3.06Å; I107-E109 VanDerWaalsContact C-N 3.25Å; I107-E109 PolarHBondContact O-N 3.22Å; E109-G128 CarbonylContact O-C 3.53Å; E109-G128 WeakPolarHBondContact O-CA 3.24Å; E109-K132 HydrophobicContact CB-CD 4.48Å; E109-K132 VanDerWaalsContact CG-NZ 3.26Å; E109-K132 IonicContact OE1-NZ 3.22Å; E109-K132 PolarHBondContact OE1-NZ 3.31Å; E109-K132 VanDerWaalsContact OE1-NZ 3.13Å; E109-K132 IonicContact OE2-NZ 3.15Å; E109-K132 PolarHBondContact OE2-NZ 2.88Å
110	A	98	Very high	97.5	Very high	7 Å²	7	48.4 Å²	48.4	6%	0.058	26%	0.264	C	S	.	.	H	α-helix	trans	-77.2	-30.3	178.7	0	0	0	0	0	112.9	K106 I107 A125 C126 G128 W129 Q707	K106-A110 PolarHBondContact O-N 2.85Å; K106-A110 VanDerWaalsContact O-N 3.12Å; I107-A110 PolarHBondContact O-N 2.94Å; I107-A110 VanDerWaalsContact O-N 3.1Å; A110-A125 CarbonylContact C-O 3.59Å; A110-A125 VanDerWaalsContact O-O 3.13Å; A110-C126 CarbonylContact O-C 3.57Å; A110-G128 CarbonylContact O-C 3.55Å; A110-G128 WeakPolarHBondContact O-CA 3.3Å; A110-G128 PolarHBondContact O-N 3.37Å; A110-W129 HydrophobicContact CB-CB 3.89Å; A110-W129 PolarHBondContact O-N 3.21Å; A110-W129 VanDerWaalsContact O-N 3.09Å; A110-Q707 HydrophobicContact CB-CG 4.42Å; A110-Q707 VanDerWaalsContact CB-NE2 3.32Å
111	L	98.3	Very high	97.6	Very high	9 Å²	9	48.2 Å²	48.2	5%	0.047	26%	0.262	C	S	.	.			trans	-64.4	142.5	179.5	-71.9	174.7	0	0	0	113.1	I107 Y124 V703	I107-L111 HydrophobicContact CG2-CD1 4.08Å; I107-L111 HydrophobicContact CG2-CG 4.27Å; I107-L111 WeakPolarHBondContact O-CG 3.28Å; I107-L111 PolarHBondContact O-N 3.05Å; L111-Y124 CarbonylContact C-O 3.4Å; L111-Y124 WeakPolarHBondContact CA-O 3.4Å; L111-Y124 HydrophobicContact CD2-CD1 4.18Å; L111-Y124 HydrophobicContact CD2-CE1 3.75Å; L111-Y124 WeakPolarHBondContact CD2-O 3.33Å; L111-V703 HydrophobicContact CD2-CG1 4.13Å; L111-V703 HydrophobicContact CD2-CG2 4.47Å
112	D	98.4	Very high	97.8	Very high	10 Å²	10	45.5 Å²	45.5	5%	0.053	24%	0.244	C	C	.	.			trans	-111.7	90.8	162.5	-171.3	-2.2	0	0	0	110.4	S114 A115 Q123 Y124 R131	D112-S114 PolarHBondContact O-N 2.67Å; D112-S114 WeakPolarHBondContact OD1-CB 3.39Å; D112-S114 PolarHBondContact OD1-N 2.61Å; D112-S114 PolarHBondContact OD1-OG 3.37Å; D112-A115 PolarHBondContact O-N 3.31Å; D112-A115 VanDerWaalsContact O-N 3.1Å; D112-Q123 VanDerWaalsContact CB-O 3.31Å; D112-Q123 WeakPolarHBondContact CB-O 3.27Å; D112-Q123 PolarHBondContact OD2-NE2 3.39Å; D112-Y124 PolarHBondContact N-O 3.35Å; D112-R131 IonicContact OD1-NH1 3.56Å; D112-R131 IonicContact OD1-NH2 3.15Å; D112-R131 IonicContact OD2-CZ 3.98Å; D112-R131 IonicContact OD2-NH1 3.08Å; D112-R131 PolarHBondContact OD2-NH1 3.31Å; D112-R131 IonicContact OD2-NH2 2.73Å
113	R	96.3	Very high	97.8	Very high	121 Å²	121	45.5 Å²	45.5	46%	0.457	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-5.3	-178.6	-62.6	-175.2	-177.5	-90	4.5	114.4	A692 V693	R113-A692 PolarHBondContact NH2-O 3.09Å; R113-V693 PolarHBondContact NH1-O 2.9Å; R113-V693 PolarHBondContact NH2-O 3.25Å
114	S	97.3	Very high	97.9	Very high	106 Å²	106	45.8 Å²	45.8	74%	0.741	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-19	173.4	72.7	0	0	0	0	112.9	D112	D112-S114 PolarHBondContact O-N 2.67Å; D112-S114 WeakPolarHBondContact OD1-CB 3.39Å; D112-S114 PolarHBondContact OD1-N 2.61Å; D112-S114 PolarHBondContact OD1-OG 3.37Å
115	A	98.3	Very high	98	Very high	19 Å²	19	45.6 Å²	45.6	16%	0.157	24%	0.238	C	C	.	.	S	Bend	trans	-86.6	140.2	176	0	0	0	0	0	111.1	D112 P117 Q123 Y124	D112-A115 PolarHBondContact O-N 3.31Å; D112-A115 VanDerWaalsContact O-N 3.1Å; A115-P117 WeakPolarHBondContact O-CD 3.43Å; A115-Q123 HydrophobicContact CB-CB 4.12Å; A115-Q123 HydrophobicContact CB-CG 3.66Å; A115-Y124 WeakPolarHBondContact O-CD2 3.42Å
116	D	98.2	Very high	98.1	Very high	80 Å²	80	42.7 Å²	42.7	43%	0.428	22%	0.218	S	C	.	.			trans	-77.2	118.9	173.9	179.2	-2.8	0	0	0	109.6	C118 Q119 D120	D116-C118 PolarHBondContact O-N 2.84Å; D116-C118 VanDerWaalsContact O-N 3.09Å; D116-C118 WeakPolarHBondContact OD1-CB 3.47Å; D116-C118 PolarHBondContact OD1-N 3.18Å; D116-Q119 HydrophobicContact CB-CB 4.17Å; D116-Q119 HydrophobicContact CB-CG 3.88Å; D116-Q119 PolarHBondContact O-N 2.71Å; D116-Q119 WeakPolarHBondContact OD2-CG 3.49Å; D116-D120 PolarHBondContact O-N 2.79Å; D116-D120 VanDerWaalsContact O-N 3.16Å
117	P	98.5	Very high	98.2	Very high	25 Å²	25	36.3 Å²	36.3	16%	0.162	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-22.5	178.2	24.2	-34.4	0	0	0	113.3	A115 F121 Y124 F748	A115-P117 WeakPolarHBondContact O-CD 3.43Å; P117-F121 HydrophobicContact CB-CD2 3.55Å; P117-F121 HydrophobicContact CB-CE2 3.79Å; P117-F121 WeakPolarHBondContact O-CD2 3.49Å; P117-Y124 HydrophobicContact CB-CD1 3.9Å; P117-Y124 HydrophobicContact CB-CD2 4.28Å; P117-Y124 HydrophobicContact CB-CE1 4.29Å; P117-Y124 HydrophobicContact CB-CG 3.9Å; P117-Y124 HydrophobicContact CG-CD2 4.49Å; P117-F748 HydrophobicContact CB-CD1 3.75Å; P117-F748 HydrophobicContact CB-CE1 4.23Å; P117-F748 HydrophobicContact CB-CG 4.45Å; P117-F748 HydrophobicContact CG-CD1 3.92Å
118	C	98.6	Very high	98.2	Very high	5 Å²	5	36.3 Å²	36.3	3%	0.034	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-3.7	179.6	-62.4	0	0	0	0	114.1	D116 C750 S754 M756	D116-C118 PolarHBondContact O-N 2.84Å; D116-C118 VanDerWaalsContact O-N 3.09Å; D116-C118 WeakPolarHBondContact OD1-CB 3.47Å; D116-C118 PolarHBondContact OD1-N 3.18Å; C118-C750 WeakPolarHBondContact CA-SG 3.38Å; C118-C750 HydrophobicContact CB-CB 3.62Å; C118-C750 WeakPolarHBondContact CB-SG 3.32Å; C118-C750 WeakPolarHBondContact SG-CA 3.45Å; C118-C750 WeakPolarHBondContact SG-CB 3.35Å; C118-C750 CovalentContact SG-SG 2.05Å; C118-C750 PolarHBondContact SG-SG 3.3Å; C118-S754 VanDerWaalsContact O-CB 3.23Å; C118-S754 WeakPolarHBondContact O-CB 3.24Å; C118-S754 PolarHBondContact O-OG 2.95Å; C118-M756 WeakPolarHBondContact O-CB 3.39Å; C118-M756 WeakPolarHBondContact O-CG 3.46Å; C118-M756 PolarHBondContact O-N 2.93Å; C118-M756 VanDerWaalsContact O-N 3.16Å
119	Q	98.2	Very high	98.2	Very high	88 Å²	88	35.5 Å²	35.5	41%	0.411	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.5	-48.7	175.3	-61.5	-58.4	-28.8	0	0	112.7	D116 S755	D116-Q119 HydrophobicContact CB-CB 4.17Å; D116-Q119 HydrophobicContact CB-CG 3.88Å; D116-Q119 PolarHBondContact O-N 2.71Å; D116-Q119 WeakPolarHBondContact OD2-CG 3.49Å; Q119-S755 VanDerWaalsContact O-CB 3.3Å; Q119-S755 WeakPolarHBondContact O-CB 3.25Å; Q119-S755 PolarHBondContact OE1-OG 3.48Å; Q119-S755 VanDerWaalsContact OE1-OG 3.07Å
120	D	98.3	Very high	98.2	Very high	37 Å²	37	33.2 Å²	33.2	20%	0.198	17%	0.174	C	C	.	.			trans	-145.4	90.5	176.5	-170.1	-29.6	0	0	0	108.5	D116 Y122 Q123 Y124 K731	D116-D120 PolarHBondContact O-N 2.79Å; D116-D120 VanDerWaalsContact O-N 3.16Å; D120-Y122 PolarHBondContact O-N 3.42Å; D120-Y122 WeakPolarHBondContact OD1-CB 3.2Å; D120-Y122 PolarHBondContact OD1-N 3.43Å; D120-Y122 VanDerWaalsContact OD1-N 3.16Å; D120-Q123 HydrophobicContact CB-CB 4Å; D120-Q123 PolarHBondContact O-N 3.19Å; D120-Q123 PolarHBondContact OD1-N 3.06Å; D120-Y124 PolarHBondContact O-N 2.76Å; D120-K731 WeakPolarHBondContact OD2-CE 3.32Å; D120-K731 IonicContact OD2-NZ 3.45Å; D120-K731 PolarHBondContact OD2-NZ 3.5Å
121	F	98.8	Very high	98.1	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-66.3	-27.9	-178.7	-162.4	-101.1	0	0	0	112.4	P117 Y124 A125 F702 V703 A706 V734 L738 F744 F748 M756	P117-F121 HydrophobicContact CB-CD2 3.55Å; P117-F121 HydrophobicContact CB-CE2 3.79Å; P117-F121 WeakPolarHBondContact O-CD2 3.49Å; F121-Y124 AromaticContact CD2-CD1 3.96Å; F121-Y124 HydrophobicContact CD2-CD1 3.96Å; F121-Y124 AromaticContact CE2-CD1 3.62Å; F121-Y124 HydrophobicContact CE2-CD1 3.62Å; F121-Y124 AromaticContact CE2-CE1 3.95Å; F121-Y124 HydrophobicContact CE2-CE1 3.95Å; F121-Y124 HydrophobicContact CZ-CD1 4.16Å; F121-Y124 HydrophobicContact CZ-CE1 4.36Å; F121-Y124 PolarHBondContact O-N 3.33Å; F121-A125 HydrophobicContact CD1-CB 4.35Å; F121-A125 HydrophobicContact CE1-CB 4.24Å; F121-A125 WeakPolarHBondContact O-CB 3.45Å; F121-A125 PolarHBondContact O-N 3.33Å; F121-F702 HydrophobicContact CE1-CB 4.28Å; F121-F702 HydrophobicContact CZ-CB 4.17Å; F121-V703 HydrophobicContact CZ-CG2 3.84Å; F121-A706 HydrophobicContact CD1-CB 3.85Å; F121-A706 HydrophobicContact CE1-CB 3.72Å; F121-V734 HydrophobicContact CD1-CG1 4.17Å; F121-L738 HydrophobicContact CB-CD1 4.08Å; F121-L738 HydrophobicContact CD1-CD1 3.14Å; F121-L738 HydrophobicContact CE1-CD1 3.69Å; F121-L738 HydrophobicContact CG-CD1 3.75Å; F121-F744 HydrophobicContact CB-CE2 4.47Å; F121-F744 HydrophobicContact CB-CZ 4.1Å; F121-F744 HydrophobicContact CD1-CE2 4.14Å; F121-F744 AromaticContact CD2-CE2 3.41Å; F121-F744 HydrophobicContact CD2-CE2 3.41Å; F121-F744 VanDerWaalsContact CD2-CE2 3.41Å; F121-F744 AromaticContact CD2-CZ 3.5Å; F121-F744 HydrophobicContact CD2-CZ 3.5Å; F121-F744 HydrophobicContact CE1-CE2 4.18Å; F121-F744 AromaticContact CE2-CE2 3.5Å; F121-F744 HydrophobicContact CE2-CE2 3.5Å; F121-F744 VanDerWaalsContact CE2-CE2 3.5Å; F121-F744 HydrophobicContact CE2-CZ 4.04Å; F121-F744 AromaticContact CG-CE2 3.74Å; F121-F744 HydrophobicContact CG-CE2 3.74Å; F121-F744 AromaticContact CG-CZ 3.81Å; F121-F744 HydrophobicContact CG-CZ 3.81Å; F121-F744 AromaticContact CZ-CE2 3.87Å; F121-F744 HydrophobicContact CZ-CE2 3.87Å; F121-F748 AromaticContact CE2-CD1 3.98Å; F121-F748 HydrophobicContact CE2-CD1 3.98Å; F121-F748 HydrophobicContact CE2-CD2 4.16Å; F121-F748 AromaticContact CE2-CE1 3.57Å; F121-F748 HydrophobicContact CE2-CE1 3.57Å; F121-F748 AromaticContact CE2-CE2 3.76Å; F121-F748 HydrophobicContact CE2-CE2 3.76Å; F121-F748 HydrophobicContact CE2-CG 4.26Å; F121-F748 AromaticContact CE2-CZ 3.44Å; F121-F748 HydrophobicContact CE2-CZ 3.44Å; F121-F748 VanDerWaalsContact CE2-CZ 3.44Å; F121-F748 HydrophobicContact CZ-CE1 4.13Å; F121-F748 AromaticContact CZ-CE2 3.83Å; F121-F748 HydrophobicContact CZ-CE2 3.83Å; F121-F748 AromaticContact CZ-CZ 3.56Å; F121-F748 HydrophobicContact CZ-CZ 3.56Å; F121-M756 HydrophobicContact CB-CE 3.79Å; F121-M756 HydrophobicContact CB-CG 4.43Å; F121-M756 HydrophobicContact CB-SD 4.16Å
122	Y	98.7	Very high	98	Very high	18 Å²	18	44.9 Å²	44.9	7%	0.071	22%	0.22	C	C	.	.	H	α-helix	trans	-65.9	-46.4	174.7	-177.8	-92.8	0	0	0	110.5	D120 Y124 A125 C126 W709 S711 K731 V734	D120-Y122 PolarHBondContact O-N 3.42Å; D120-Y122 WeakPolarHBondContact OD1-CB 3.2Å; D120-Y122 PolarHBondContact OD1-N 3.43Å; D120-Y122 VanDerWaalsContact OD1-N 3.16Å; Y122-Y124 VanDerWaalsContact C-N 3.35Å; Y122-Y124 PolarHBondContact O-N 2.88Å; Y122-A125 PolarHBondContact O-N 3.46Å; Y122-C126 HydrophobicContact CE1-CB 4.26Å; Y122-C126 HydrophobicContact CE2-CB 4.29Å; Y122-C126 WeakPolarHBondContact O-CA 3.43Å; Y122-C126 VanDerWaalsContact O-CB 3.27Å; Y122-C126 WeakPolarHBondContact O-CB 3.15Å; Y122-C126 PolarHBondContact O-N 3.31Å; Y122-W709 WeakPolarHBondContact CE2-O 3.3Å; Y122-W709 PolarHBondContact OH-O 2.97Å; Y122-S711 PolarHBondContact OH-N 3.35Å; Y122-S711 PolarHBondContact OH-O 2.88Å; Y122-S711 PolarHBondContact OH-OG 3.07Å; Y122-K731 HydrophobicContact CD1-CB 4.13Å; Y122-K731 HydrophobicContact CD1-CD 4.3Å; Y122-K731 HydrophobicContact CD1-CG 4Å; Y122-K731 HydrophobicContact CD2-CB 4.25Å; Y122-K731 HydrophobicContact CE1-CB 4.27Å; Y122-K731 HydrophobicContact CE2-CB 4.38Å; Y122-K731 HydrophobicContact CG-CB 4.11Å; Y122-K731 HydrophobicContact CG-CG 3.96Å; Y122-V734 HydrophobicContact CD2-CB 4.13Å; Y122-V734 HydrophobicContact CD2-CG2 3.97Å
123	Q	98.6	Very high	97.9	Very high	68 Å²	68	46.7 Å²	46.7	32%	0.318	23%	0.229	S	C	.	.	H	α-helix	trans	-61.4	-44.3	174.9	-177	61.9	27.3	0	0	111.2	D112 A115 D120 A125 G127	D112-Q123 VanDerWaalsContact CB-O 3.31Å; D112-Q123 WeakPolarHBondContact CB-O 3.27Å; D112-Q123 PolarHBondContact OD2-NE2 3.39Å; A115-Q123 HydrophobicContact CB-CB 4.12Å; A115-Q123 HydrophobicContact CB-CG 3.66Å; D120-Q123 HydrophobicContact CB-CB 4Å; D120-Q123 PolarHBondContact O-N 3.19Å; D120-Q123 PolarHBondContact OD1-N 3.06Å; Q123-A125 PolarHBondContact O-N 3.19Å; Q123-G127 VanDerWaalsContact O-CA 3.25Å; Q123-G127 WeakPolarHBondContact O-CA 3.29Å; Q123-G127 PolarHBondContact O-N 2.98Å
124	Y	98.8	Very high	97.7	Very high	16 Å²	16	45.4 Å²	45.4	6%	0.063	24%	0.236	C	C	.	.	H	α-helix	trans	-59.2	-45.3	176.1	171.7	-99.3	0	0	0	112.6	L111 D112 A115 P117 D120 F121 Y122 V703 F748	L111-Y124 CarbonylContact C-O 3.4Å; L111-Y124 WeakPolarHBondContact CA-O 3.4Å; L111-Y124 HydrophobicContact CD2-CD1 4.18Å; L111-Y124 HydrophobicContact CD2-CE1 3.75Å; L111-Y124 WeakPolarHBondContact CD2-O 3.33Å; D112-Y124 PolarHBondContact N-O 3.35Å; A115-Y124 WeakPolarHBondContact O-CD2 3.42Å; P117-Y124 HydrophobicContact CB-CD1 3.9Å; P117-Y124 HydrophobicContact CB-CD2 4.28Å; P117-Y124 HydrophobicContact CB-CE1 4.29Å; P117-Y124 HydrophobicContact CB-CG 3.9Å; P117-Y124 HydrophobicContact CG-CD2 4.49Å; D120-Y124 PolarHBondContact O-N 2.76Å; F121-Y124 AromaticContact CD2-CD1 3.96Å; F121-Y124 HydrophobicContact CD2-CD1 3.96Å; F121-Y124 AromaticContact CE2-CD1 3.62Å; F121-Y124 HydrophobicContact CE2-CD1 3.62Å; F121-Y124 AromaticContact CE2-CE1 3.95Å; F121-Y124 HydrophobicContact CE2-CE1 3.95Å; F121-Y124 HydrophobicContact CZ-CD1 4.16Å; F121-Y124 HydrophobicContact CZ-CE1 4.36Å; F121-Y124 PolarHBondContact O-N 3.33Å; Y122-Y124 VanDerWaalsContact C-N 3.35Å; Y122-Y124 PolarHBondContact O-N 2.88Å; Y124-V703 HydrophobicContact CE1-CG2 4.12Å; Y124-F748 HydrophobicContact CE1-CE1 4.17Å
125	A	98.7	Very high	97.5	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-78.4	-36.3	-175.2	0	0	0	0	0	113.9	A110 F121 Y122 Q123 A706 Q707	A110-A125 CarbonylContact C-O 3.59Å; A110-A125 VanDerWaalsContact O-O 3.13Å; F121-A125 HydrophobicContact CD1-CB 4.35Å; F121-A125 HydrophobicContact CE1-CB 4.24Å; F121-A125 WeakPolarHBondContact O-CB 3.45Å; F121-A125 PolarHBondContact O-N 3.33Å; Y122-A125 PolarHBondContact O-N 3.46Å; Q123-A125 PolarHBondContact O-N 3.19Å; A125-A706 HydrophobicContact CB-CB 3.43Å; A125-A706 VanDerWaalsContact CB-CB 3.43Å; A125-Q707 HydrophobicContact CB-CG 4.41Å; A125-Q707 WeakPolarHBondContact O-CG 3.1Å; A125-Q707 PolarHBondContact O-NE2 3.44Å
126	C	98.7	Very high	97.1	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-118.5	-9.4	-168.4	-68.7	0	0	0	0	115	A110 Y122 G128 W129 V130 A706 C710	A110-C126 CarbonylContact O-C 3.57Å; Y122-C126 HydrophobicContact CE1-CB 4.26Å; Y122-C126 HydrophobicContact CE2-CB 4.29Å; Y122-C126 WeakPolarHBondContact O-CA 3.43Å; Y122-C126 VanDerWaalsContact O-CB 3.27Å; Y122-C126 WeakPolarHBondContact O-CB 3.15Å; Y122-C126 PolarHBondContact O-N 3.31Å; C126-G128 VanDerWaalsContact C-N 3.27Å; C126-G128 PolarHBondContact O-N 3.26Å; C126-W129 CarbonylContact O-C 3.24Å; C126-W129 WeakPolarHBondContact O-CA 3.24Å; C126-W129 WeakPolarHBondContact O-CB 3.48Å; C126-W129 PolarHBondContact O-N 2.95Å; C126-V130 WeakPolarHBondContact O-CG2 3.48Å; C126-V130 PolarHBondContact O-N 3.5Å; C126-A706 PolarHBondContact SG-O 3.43Å; C126-A706 VanDerWaalsContact SG-O 3.38Å; C126-C710 WeakPolarHBondContact CA-SG 3.38Å; C126-C710 HydrophobicContact CB-CB 3.79Å; C126-C710 WeakPolarHBondContact CB-SG 3.49Å; C126-C710 WeakPolarHBondContact SG-CA 3.44Å; C126-C710 WeakPolarHBondContact SG-CB 3.38Å; C126-C710 CovalentContact SG-SG 2.04Å; C126-C710 PolarHBondContact SG-SG 3.23Å
127	G	98.4	Very high	96.4	Very high	1 Å²	1	47 Å²	47	1%	0.01	24%	0.236	C	C	.	.	H	α-helix	trans	-61.4	-33.3	-173.1	0	0	0	0	0	113.7	Q123 R131	Q123-G127 VanDerWaalsContact O-CA 3.25Å; Q123-G127 WeakPolarHBondContact O-CA 3.29Å; Q123-G127 PolarHBondContact O-N 2.98Å; G127-R131 WeakPolarHBondContact O-CG 3.48Å; G127-R131 PolarHBondContact O-N 2.85Å
128	G	98.3	Very high	95.7	Very high	3 Å²	3	46.5 Å²	46.5	3%	0.031	24%	0.236	C	C	.	.	H	α-helix	trans	-68.1	-41.9	170.3	0	0	0	0	0	112.4	E109 A110 C126 R131 K132	E109-G128 CarbonylContact O-C 3.53Å; E109-G128 WeakPolarHBondContact O-CA 3.24Å; A110-G128 CarbonylContact O-C 3.55Å; A110-G128 WeakPolarHBondContact O-CA 3.3Å; A110-G128 PolarHBondContact O-N 3.37Å; C126-G128 VanDerWaalsContact C-N 3.27Å; C126-G128 PolarHBondContact O-N 3.26Å; G128-R131 PolarHBondContact O-N 2.99Å; G128-K132 PolarHBondContact O-N 3.18Å; G128-K132 VanDerWaalsContact O-N 3.09Å
129	W	97.8	Very high	95.3	Very high	37 Å²	37	48.8 Å²	48.8	14%	0.14	24%	0.244	C	C	.	.	H	α-helix	trans	-62.1	-47.2	177.4	-174.2	98.1	0	0	0	111.3	A110 C126 R131 K132 N133 W142 C710 V712	A110-W129 HydrophobicContact CB-CB 3.89Å; A110-W129 PolarHBondContact O-N 3.21Å; A110-W129 VanDerWaalsContact O-N 3.09Å; C126-W129 CarbonylContact O-C 3.24Å; C126-W129 WeakPolarHBondContact O-CA 3.24Å; C126-W129 WeakPolarHBondContact O-CB 3.48Å; C126-W129 PolarHBondContact O-N 2.95Å; W129-R131 VanDerWaalsContact C-N 3.3Å; W129-R131 PolarHBondContact O-N 3.41Å; W129-K132 PolarHBondContact O-N 3.15Å; W129-K132 VanDerWaalsContact O-N 3.12Å; W129-N133 HydrophobicContact CD2-CB 4.1Å; W129-N133 HydrophobicContact CE3-CB 4.12Å; W129-N133 HydrophobicContact CH2-CB 3.89Å; W129-N133 HydrophobicContact CZ2-CB 3.89Å; W129-N133 HydrophobicContact CZ3-CB 4.01Å; W129-N133 PolarHBondContact NE1-ND2 3.26Å; W129-N133 WeakPolarHBondContact O-CB 3.4Å; W129-N133 PolarHBondContact O-N 3.16Å; W129-N133 PolarHBondContact O-ND2 3.42Å; W129-W142 AromaticContact CH2-CD1 3.74Å; W129-C710 HydrophobicContact CB-CB 4.17Å; W129-C710 HydrophobicContact CD2-CB 3.57Å; W129-C710 HydrophobicContact CE3-CB 3.66Å; W129-C710 HydrophobicContact CG-CB 3.79Å; W129-C710 HydrophobicContact CZ3-CB 4.33Å; W129-V712 HydrophobicContact CZ3-CG1 4.37Å
130	V	97	Very high	95	Very high	47 Å²	47	45.7 Å²	45.7	29%	0.285	23%	0.232	S	C	.	.	H	α-helix	trans	-59.3	-40.7	178.7	166.7	0	0	0	0	111.2	C126 V712	C126-V130 WeakPolarHBondContact O-CG2 3.48Å; C126-V130 PolarHBondContact O-N 3.5Å; V130-V712 HydrophobicContact CB-CG1 4.18Å; V130-V712 HydrophobicContact CG1-CG1 3.68Å; V130-V712 HydrophobicContact CG2-CG1 4.03Å
131	R	96.6	Very high	94.8	Very high	149 Å²	149	50.2 Å²	50.2	56%	0.562	25%	0.246	S	C	*	.	H	α-helix	trans	-67	-36.3	176.1	-75.5	-173	-63.2	-102.2	3.8	113.3	D112 G127 G128 W129	D112-R131 IonicContact OD1-NH1 3.56Å; D112-R131 IonicContact OD1-NH2 3.15Å; D112-R131 IonicContact OD2-CZ 3.98Å; D112-R131 IonicContact OD2-NH1 3.08Å; D112-R131 PolarHBondContact OD2-NH1 3.31Å; D112-R131 IonicContact OD2-NH2 2.73Å; G127-R131 WeakPolarHBondContact O-CG 3.48Å; G127-R131 PolarHBondContact O-N 2.85Å; G128-R131 PolarHBondContact O-N 2.99Å; W129-R131 VanDerWaalsContact C-N 3.3Å; W129-R131 PolarHBondContact O-N 3.41Å
132	K	96	Very high	94.6	Very high	113 Å²	113	51.5 Å²	51.5	49%	0.491	25%	0.251	S	S	.	.	H	α-helix	trans	-85.3	-20.5	-177.8	-73.8	-167.3	178.9	-162.2	0	113.9	E109 G128 W129 P134	E109-K132 HydrophobicContact CB-CD 4.48Å; E109-K132 VanDerWaalsContact CG-NZ 3.26Å; E109-K132 IonicContact OE1-NZ 3.22Å; E109-K132 PolarHBondContact OE1-NZ 3.31Å; E109-K132 VanDerWaalsContact OE1-NZ 3.13Å; E109-K132 IonicContact OE2-NZ 3.15Å; E109-K132 PolarHBondContact OE2-NZ 2.88Å; G128-K132 PolarHBondContact O-N 3.18Å; G128-K132 VanDerWaalsContact O-N 3.09Å; W129-K132 PolarHBondContact O-N 3.15Å; W129-K132 VanDerWaalsContact O-N 3.12Å; K132-P134 VanDerWaalsContact O-CD 3.22Å; K132-P134 WeakPolarHBondContact O-CD 3.49Å
133	N	95.3	Very high	94.5	Very high	47 Å²	47	51.3 Å²	51.3	25%	0.251	25%	0.252	S	S	.	.	S	Bend	trans	-118	70.4	-178.3	-63.5	-89.2	0	0	0	109.5	W129	W129-N133 HydrophobicContact CD2-CB 4.1Å; W129-N133 HydrophobicContact CE3-CB 4.12Å; W129-N133 HydrophobicContact CH2-CB 3.89Å; W129-N133 HydrophobicContact CZ2-CB 3.89Å; W129-N133 HydrophobicContact CZ3-CB 4.01Å; W129-N133 PolarHBondContact NE1-ND2 3.26Å; W129-N133 WeakPolarHBondContact O-CB 3.4Å; W129-N133 PolarHBondContact O-N 3.16Å; W129-N133 PolarHBondContact O-ND2 3.42Å
134	P	92.6	Very high	94.3	Very high	94 Å²	94	48.6 Å²	48.6	61%	0.61	24%	0.24	S	C	*	.	P	Polyproline II helix	trans	-58.9	155.3	169.4	30.2	-35.3	0	0	0	109.3	K132 P136	K132-P134 VanDerWaalsContact O-CD 3.22Å; K132-P134 WeakPolarHBondContact O-CD 3.49Å; P134-P136 VanDerWaalsContact O-CD 3.24Å; P134-P136 WeakPolarHBondContact O-CD 3.33Å; P134-P136 VanDerWaalsContact O-N 3.15Å
135	L	92.1	Very high	94.1	Very high	53 Å²	53	49.7 Å²	49.7	28%	0.277	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-58.2	118.1	178.8	-171.3	68.8	0	0	0	109.7	R139 W142 V712 T714	L135-R139 HydrophobicContact CD1-CB 4.42Å; L135-R139 VanDerWaalsContact CD1-O 3.26Å; L135-R139 WeakPolarHBondContact CD1-O 3.06Å; L135-R139 WeakPolarHBondContact CD2-O 3.34Å; L135-R139 WeakPolarHBondContact CG-O 3.45Å; L135-W142 HydrophobicContact CD1-CB 3.94Å; L135-V712 HydrophobicContact CB-CG2 4.25Å; L135-V712 HydrophobicContact CD1-CG2 4.15Å; L135-T714 HydrophobicContact CD2-CG2 3.44Å; L135-T714 VanDerWaalsContact CD2-CG2 3.44Å
136	P	90	Very high	93.9	Very high	46 Å²	46	51 Å²	51	30%	0.299	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-64.6	151.6	-179.6	-21.9	33.7	0	0	0	111.8	P134 G138 R139 W142	P134-P136 VanDerWaalsContact O-CD 3.24Å; P134-P136 WeakPolarHBondContact O-CD 3.33Å; P134-P136 VanDerWaalsContact O-N 3.15Å; P136-G138 PolarHBondContact O-N 3.09Å; P136-R139 HydrophobicContact CB-CB 4.45Å; P136-R139 HydrophobicContact CB-CG 3.98Å; P136-R139 HydrophobicContact CG-CG 4.36Å; P136-R139 WeakPolarHBondContact O-CB 3.28Å; P136-R139 PolarHBondContact O-N 2.9Å; P136-W142 HydrophobicContact CG-CB 4.43Å; P136-W142 HydrophobicContact CG-CD2 3.6Å; P136-W142 HydrophobicContact CG-CE3 3.81Å; P136-W142 HydrophobicContact CG-CG 3.89Å; P136-W142 HydrophobicContact CG-CZ2 4.38Å; P136-W142 HydrophobicContact CG-CZ3 4.29Å
137	D	84.3	Confident	93.6	Very high	140 Å²	140	52.8 Å²	52.8	75%	0.749	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	130.9	176.9	-69.2	-24.2	0	0	0	110.9	R139 C423	D137-R139 VanDerWaalsContact C-N 3.29Å; D137-R139 PolarHBondContact O-N 3.21Å; D137-C423 HydrophobicContact CB-CB 4.04Å
138	G	84.1	Confident	93.5	Very high	15 Å²	15	52.9 Å²	52.9	16%	0.155	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.1	8.7	-178.4	0	0	0	0	0	116.7	P136 K420	P136-G138 PolarHBondContact O-N 3.09Å; G138-K420 WeakPolarHBondContact CA-O 3.39Å
139	R	90.1	Very high	93.3	Very high	53 Å²	53	56 Å²	56	20%	0.2	28%	0.276	C	S	.	.			trans	-108.1	131.5	171.8	-57.7	-61.2	-165.2	157	9.1	109.9	L135 P136 D137 W142 D150 T419	L135-R139 HydrophobicContact CD1-CB 4.42Å; L135-R139 VanDerWaalsContact CD1-O 3.26Å; L135-R139 WeakPolarHBondContact CD1-O 3.06Å; L135-R139 WeakPolarHBondContact CD2-O 3.34Å; L135-R139 WeakPolarHBondContact CG-O 3.45Å; P136-R139 HydrophobicContact CB-CB 4.45Å; P136-R139 HydrophobicContact CB-CG 3.98Å; P136-R139 HydrophobicContact CG-CG 4.36Å; P136-R139 WeakPolarHBondContact O-CB 3.28Å; P136-R139 PolarHBondContact O-N 2.9Å; D137-R139 VanDerWaalsContact C-N 3.29Å; D137-R139 PolarHBondContact O-N 3.21Å; R139-W142 HydrophobicContact CG-CE3 4.26Å; R139-W142 HydrophobicContact CG-CZ3 4.43Å; R139-D150 IonicContact CZ-OD1 3.7Å; R139-D150 IonicContact CZ-OD2 3.27Å; R139-D150 IonicContact NH1-OD1 3.01Å; R139-D150 IonicContact NH2-OD1 2.73Å; R139-D150 PolarHBondContact NH2-OD1 2.98Å; R139-D150 IonicContact NH2-OD2 3.63Å; R139-D150 PolarHBondContact NH2-OD2 2.84Å; R139-T419 WeakPolarHBondContact O-CG2 3.25Å
140	S	92	Very high	93.1	Very high	23 Å²	23	55.7 Å²	55.7	16%	0.161	28%	0.277	C	S	.	.	S	Bend	trans	-86.6	-19.9	175.7	59.9	0	0	0	0	114.5	Y417 T419 R713 T714	S140-Y417 WeakPolarHBondContact CB-O 3.05Å; S140-T419 VanDerWaalsContact CA-CG2 3.41Å; S140-R713 CarbonylContact O-C 3.49Å; S140-R713 VanDerWaalsContact O-CA 3.29Å; S140-R713 WeakPolarHBondContact O-CA 3.18Å; S140-T714 PolarHBondContact O-N 2.91Å
141	R	93.6	Very high	93.1	Very high	132 Å²	132	58.5 Å²	58.5	50%	0.498	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	145.3	172.4	63.8	-177.4	-176.8	174.2	2.5	109.7	V712 R713	R141-V712 CarbonylContact C-O 3.27Å; R141-V712 WeakPolarHBondContact CA-O 3.45Å; R141-R713 HydrophobicContact CB-CB 4.18Å
142	W	95.3	Very high	93.1	Very high	26 Å²	26	51.6 Å²	51.6	10%	0.098	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	132.3	171.8	-166.7	-112.4	0	0	0	109.3	W129 L135 P136 R139 N146 D150 S711 V712	W129-W142 AromaticContact CH2-CD1 3.74Å; L135-W142 HydrophobicContact CD1-CB 3.94Å; P136-W142 HydrophobicContact CG-CB 4.43Å; P136-W142 HydrophobicContact CG-CD2 3.6Å; P136-W142 HydrophobicContact CG-CE3 3.81Å; P136-W142 HydrophobicContact CG-CG 3.89Å; P136-W142 HydrophobicContact CG-CZ2 4.38Å; P136-W142 HydrophobicContact CG-CZ3 4.29Å; R139-W142 HydrophobicContact CG-CE3 4.26Å; R139-W142 HydrophobicContact CG-CZ3 4.43Å; W142-N146 HydrophobicContact CD2-CB 4.28Å; W142-N146 HydrophobicContact CE3-CB 3.69Å; W142-N146 HydrophobicContact CZ3-CB 3.88Å; W142-D150 HydrophobicContact CH2-CB 4.22Å; W142-D150 WeakPolarHBondContact CH2-OD2 3.41Å; W142-S711 CarbonylContact O-C 3.37Å; W142-S711 WeakPolarHBondContact O-CA 3.32Å; W142-S711 WeakPolarHBondContact O-CB 3.34Å; W142-V712 HydrophobicContact CB-CG2 3.77Å; W142-V712 PolarHBondContact N-O 3.49Å; W142-V712 PolarHBondContact O-N 3Å
143	S	96	Very high	93.1	Very high	14 Å²	14	46.7 Å²	46.7	10%	0.098	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	172.2	-175.2	65.1	0	0	0	0	110	F145 N146 S147 C710	S143-F145 PolarHBondContact O-N 2.97Å; S143-F145 PolarHBondContact OG-N 3.02Å; S143-N146 PolarHBondContact N-OD1 2.92Å; S143-N146 VanDerWaalsContact N-OD1 3.12Å; S143-N146 PolarHBondContact O-N 3.29Å; S143-N146 VanDerWaalsContact O-N 3.12Å; S143-N146 PolarHBondContact OG-N 3.41Å; S143-N146 PolarHBondContact OG-OD1 2.89Å; S143-S147 PolarHBondContact O-N 2.98Å; S143-C710 WeakPolarHBondContact CA-O 3.48Å
144	T	93.8	Very high	93.1	Very high	11 Å²	11	46.8 Å²	46.8	7%	0.067	25%	0.248	C	C	.	.	H	α-helix	trans	-50.6	-42.5	168.1	-55.5	0	0	0	0	111.8	S147 I148 P581 Q707 V708 C710	T144-S147 PolarHBondContact O-N 3.22Å; T144-I148 HydrophobicContact CG2-CD1 4.05Å; T144-I148 WeakPolarHBondContact O-CD1 3.48Å; T144-I148 WeakPolarHBondContact O-CG1 3.19Å; T144-I148 PolarHBondContact O-N 3.45Å; T144-P581 HydrophobicContact CG2-CG 3.28Å; T144-Q707 PolarHBondContact OG1-O 3.12Å; T144-V708 WeakPolarHBondContact CB-O 3.33Å; T144-V708 PolarHBondContact OG1-O 2.81Å; T144-C710 PolarHBondContact N-O 2.97Å
145	F	96	Very high	93.3	Very high	39 Å²	39	44.9 Å²	44.9	17%	0.171	23%	0.234	C	C	.	.	H	α-helix	trans	-61.7	-46.2	176.5	-65.2	-101.3	0	0	0	112.1	S143 S147 I148 W149 V560 I577 F582 V708 W709	S143-F145 PolarHBondContact O-N 2.97Å; S143-F145 PolarHBondContact OG-N 3.02Å; F145-S147 PolarHBondContact O-N 3.09Å; F145-I148 PolarHBondContact O-N 2.81Å; F145-W149 WeakPolarHBondContact O-CB 3.35Å; F145-W149 PolarHBondContact O-N 2.91Å; F145-V560 HydrophobicContact CD1-CG1 4.28Å; F145-I577 HydrophobicContact CE1-CD1 4.46Å; F145-F582 AromaticContact CD1-CZ 3.75Å; F145-F582 HydrophobicContact CD1-CZ 3.75Å; F145-F582 HydrophobicContact CD2-CZ 4.32Å; F145-F582 AromaticContact CE1-CE1 3.83Å; F145-F582 HydrophobicContact CE1-CE1 3.83Å; F145-F582 AromaticContact CE1-CZ 3.44Å; F145-F582 HydrophobicContact CE1-CZ 3.44Å; F145-F582 VanDerWaalsContact CE1-CZ 3.44Å; F145-F582 HydrophobicContact CE2-CE1 4.37Å; F145-F582 HydrophobicContact CE2-CZ 4.03Å; F145-F582 HydrophobicContact CG-CZ 4.18Å; F145-F582 AromaticContact CZ-CE1 3.71Å; F145-F582 HydrophobicContact CZ-CE1 3.71Å; F145-F582 AromaticContact CZ-CZ 3.59Å; F145-F582 HydrophobicContact CZ-CZ 3.59Å; F145-V708 HydrophobicContact CE2-CG1 3.85Å; F145-V708 HydrophobicContact CZ-CG1 3.9Å; F145-W709 AromaticContact CE2-CE3 3.82Å; F145-W709 HydrophobicContact CE2-CE3 3.82Å; F145-W709 HydrophobicContact CE2-CH2 4.18Å; F145-W709 AromaticContact CE2-CZ3 3.6Å; F145-W709 HydrophobicContact CE2-CZ3 3.6Å; F145-W709 HydrophobicContact CZ-CE3 4.31Å; F145-W709 AromaticContact CZ-CH2 3.82Å; F145-W709 HydrophobicContact CZ-CH2 3.82Å; F145-W709 AromaticContact CZ-CZ3 3.7Å; F145-W709 HydrophobicContact CZ-CZ3 3.7Å
146	N	93.7	Very high	93.5	Very high	29 Å²	29	42.5 Å²	42.5	16%	0.155	22%	0.222	C	C	.	.	H	α-helix	trans	-66.4	-39	180	-57.3	116.7	0	0	0	112.1	W142 S143 I148 W149 D150	W142-N146 HydrophobicContact CD2-CB 4.28Å; W142-N146 HydrophobicContact CE3-CB 3.69Å; W142-N146 HydrophobicContact CZ3-CB 3.88Å; S143-N146 PolarHBondContact N-OD1 2.92Å; S143-N146 VanDerWaalsContact N-OD1 3.12Å; S143-N146 PolarHBondContact O-N 3.29Å; S143-N146 VanDerWaalsContact O-N 3.12Å; S143-N146 PolarHBondContact OG-N 3.41Å; S143-N146 PolarHBondContact OG-OD1 2.89Å; N146-I148 VanDerWaalsContact C-N 3.29Å; N146-I148 PolarHBondContact O-N 2.92Å; N146-W149 PolarHBondContact O-N 3.46Å; N146-D150 PolarHBondContact O-N 2.87Å
147	S	93.5	Very high	93.9	Very high	36 Å²	36	43 Å²	43	25%	0.252	22%	0.219	S	C	.	.	H	α-helix	trans	-60.3	-41.3	177	177.5	0	0	0	0	111.8	S143 T144 F145 Q151	S143-S147 PolarHBondContact O-N 2.98Å; T144-S147 PolarHBondContact O-N 3.22Å; F145-S147 PolarHBondContact O-N 3.09Å; S147-Q151 VanDerWaalsContact O-CG 3.28Å; S147-Q151 WeakPolarHBondContact O-CG 3.46Å; S147-Q151 PolarHBondContact O-N 3.27Å; S147-Q151 PolarHBondContact O-NE2 3.37Å; S147-Q151 PolarHBondContact OG-NE2 2.86Å
148	I	95	Very high	94.4	Very high	4 Å²	4	42.9 Å²	42.9	2%	0.021	21%	0.214	C	C	.	.	H	α-helix	trans	-74	-40.3	-179.8	-66.5	164	0	0	0	110.5	T144 F145 N146 D150 Q151 N152 V560 Q579 A580 F582	T144-I148 HydrophobicContact CG2-CD1 4.05Å; T144-I148 WeakPolarHBondContact O-CD1 3.48Å; T144-I148 WeakPolarHBondContact O-CG1 3.19Å; T144-I148 PolarHBondContact O-N 3.45Å; F145-I148 PolarHBondContact O-N 2.81Å; N146-I148 VanDerWaalsContact C-N 3.29Å; N146-I148 PolarHBondContact O-N 2.92Å; I148-D150 VanDerWaalsContact C-N 3.31Å; I148-D150 PolarHBondContact O-N 2.63Å; I148-Q151 WeakPolarHBondContact O-CB 3.14Å; I148-Q151 PolarHBondContact O-N 3.02Å; I148-Q151 VanDerWaalsContact O-N 3.14Å; I148-N152 PolarHBondContact O-N 2.69Å; I148-N152 PolarHBondContact O-OD1 3.4Å; I148-V560 HydrophobicContact CB-CG1 4.13Å; I148-V560 HydrophobicContact CB-CG2 4.26Å; I148-V560 HydrophobicContact CG2-CG1 3.93Å; I148-V560 HydrophobicContact CG2-CG2 3.69Å; I148-Q579 HydrophobicContact CG2-CG 3.73Å; I148-A580 VanDerWaalsContact CD1-O 3.29Å; I148-A580 WeakPolarHBondContact CD1-O 3.25Å; I148-F582 HydrophobicContact CD1-CD2 3.89Å; I148-F582 HydrophobicContact CD1-CE2 3.51Å
149	W	95	Very high	95	Very high	68 Å²	68	44 Å²	44	26%	0.258	22%	0.216	S	C	.	.	H	α-helix	trans	-56.9	-46.6	174.2	175.3	-94.9	0	0	0	111.4	F145 N146 Q151 N152 Q153 D435 V560	F145-W149 WeakPolarHBondContact O-CB 3.35Å; F145-W149 PolarHBondContact O-N 2.91Å; N146-W149 PolarHBondContact O-N 3.46Å; W149-Q151 VanDerWaalsContact C-N 3.3Å; W149-Q151 PolarHBondContact O-N 3.33Å; W149-N152 WeakPolarHBondContact O-CB 3.36Å; W149-N152 PolarHBondContact O-N 2.59Å; W149-Q153 HydrophobicContact CZ2-CG 4.4Å; W149-Q153 VanDerWaalsContact NE1-CD 3.27Å; W149-Q153 WeakPolarHBondContact O-CG 3.37Å; W149-Q153 PolarHBondContact O-N 3.44Å; W149-D435 WeakPolarHBondContact CH2-OD2 3.49Å; W149-V560 HydrophobicContact CB-CG2 4.13Å; W149-V560 HydrophobicContact CE3-CG2 4.2Å
150	D	93.7	Very high	95.2	Very high	30 Å²	30	41.5 Å²	41.5	16%	0.16	21%	0.207	C	C	.	.	H	α-helix	trans	-63	-35.4	177.3	-85.2	19.7	0	0	0	112.6	R139 W142 N146 I148 Q153 A154	R139-D150 IonicContact CZ-OD1 3.7Å; R139-D150 IonicContact CZ-OD2 3.27Å; R139-D150 IonicContact NH1-OD1 3.01Å; R139-D150 IonicContact NH2-OD1 2.73Å; R139-D150 PolarHBondContact NH2-OD1 2.98Å; R139-D150 IonicContact NH2-OD2 3.63Å; R139-D150 PolarHBondContact NH2-OD2 2.84Å; W142-D150 HydrophobicContact CH2-CB 4.22Å; W142-D150 WeakPolarHBondContact CH2-OD2 3.41Å; N146-D150 PolarHBondContact O-N 2.87Å; I148-D150 VanDerWaalsContact C-N 3.31Å; I148-D150 PolarHBondContact O-N 2.63Å; D150-Q153 PolarHBondContact O-N 3.25Å; D150-A154 PolarHBondContact O-N 3.04Å
151	Q	95.5	Very high	95.4	Very high	106 Å²	106	44.2 Å²	44.2	50%	0.495	22%	0.217	S	C	.	.	H	α-helix	trans	-65.4	-45	173.3	-71.2	166.3	30.2	0	0	111.4	S147 I148 W149 Q153 A154 V155	S147-Q151 VanDerWaalsContact O-CG 3.28Å; S147-Q151 WeakPolarHBondContact O-CG 3.46Å; S147-Q151 PolarHBondContact O-N 3.27Å; S147-Q151 PolarHBondContact O-NE2 3.37Å; S147-Q151 PolarHBondContact OG-NE2 2.86Å; I148-Q151 WeakPolarHBondContact O-CB 3.14Å; I148-Q151 PolarHBondContact O-N 3.02Å; I148-Q151 VanDerWaalsContact O-N 3.14Å; W149-Q151 VanDerWaalsContact C-N 3.3Å; W149-Q151 PolarHBondContact O-N 3.33Å; Q151-Q153 VanDerWaalsContact C-N 3.34Å; Q151-Q153 PolarHBondContact O-N 2.98Å; Q151-A154 WeakPolarHBondContact O-CB 3.18Å; Q151-A154 PolarHBondContact O-N 3.39Å; Q151-V155 PolarHBondContact O-N 3.42Å; Q151-V155 VanDerWaalsContact O-N 3.15Å
152	N	96.7	Very high	95.1	Very high	5 Å²	5	41 Å²	41	3%	0.027	21%	0.21	C	C	.	.	H	α-helix	trans	-60.3	-44.5	175.6	-69.9	-3.1	0	0	0	111.1	I148 W149 A154 V155 L156 F446 P558 V560 Q579	I148-N152 PolarHBondContact O-N 2.69Å; I148-N152 PolarHBondContact O-OD1 3.4Å; W149-N152 WeakPolarHBondContact O-CB 3.36Å; W149-N152 PolarHBondContact O-N 2.59Å; N152-A154 VanDerWaalsContact C-N 3.3Å; N152-A154 PolarHBondContact O-N 2.87Å; N152-V155 WeakPolarHBondContact O-CB 3.18Å; N152-V155 PolarHBondContact O-N 3.15Å; N152-L156 WeakPolarHBondContact O-CG 3.49Å; N152-L156 PolarHBondContact O-N 2.86Å; N152-F446 HydrophobicContact CB-CE2 3.82Å; N152-F446 HydrophobicContact CB-CZ 4.2Å; N152-P558 PolarHBondContact ND2-O 2.9Å; N152-V560 WeakPolarHBondContact ND2-CG2 3.49Å; N152-Q579 PolarHBondContact ND2-NE2 2.91Å; N152-Q579 PolarHBondContact OD1-NE2 2.93Å
153	Q	96.5	Very high	94.2	Very high	9 Å²	9	43.8 Å²	43.8	4%	0.042	25%	0.246	C	C	.	.	H	α-helix	trans	-60.8	-38.6	176.7	-70.1	-160.4	-27.9	0	0	112.3	W149 D150 Q151 V155 L156 K157 W427 I431	W149-Q153 HydrophobicContact CZ2-CG 4.4Å; W149-Q153 VanDerWaalsContact NE1-CD 3.27Å; W149-Q153 WeakPolarHBondContact O-CG 3.37Å; W149-Q153 PolarHBondContact O-N 3.44Å; D150-Q153 PolarHBondContact O-N 3.25Å; Q151-Q153 VanDerWaalsContact C-N 3.34Å; Q151-Q153 PolarHBondContact O-N 2.98Å; Q153-V155 VanDerWaalsContact C-N 3.35Å; Q153-V155 PolarHBondContact O-N 3.16Å; Q153-L156 PolarHBondContact O-N 3.2Å; Q153-K157 WeakPolarHBondContact O-CB 3.19Å; Q153-K157 PolarHBondContact O-N 3.34Å; Q153-W427 HydrophobicContact CB-CH2 4.38Å; Q153-W427 HydrophobicContact CB-CZ3 3.98Å; Q153-I431 HydrophobicContact CB-CG2 4.12Å; Q153-I431 HydrophobicContact CG-CG2 3.81Å
154	A	96.4	Very high	93.5	Very high	50 Å²	50	48.4 Å²	48.4	41%	0.413	27%	0.274	S	S	.	.	H	α-helix	trans	-64.7	-37.6	176.9	0	0	0	0	0	112.6	D150 Q151 N152 H158 W427	D150-A154 PolarHBondContact O-N 3.04Å; Q151-A154 WeakPolarHBondContact O-CB 3.18Å; Q151-A154 PolarHBondContact O-N 3.39Å; N152-A154 VanDerWaalsContact C-N 3.3Å; N152-A154 PolarHBondContact O-N 2.87Å; A154-H158 PolarHBondContact O-N 3.41Å; A154-W427 HydrophobicContact CB-CH2 4.4Å
155	V	96.2	Very high	93	Very high	53 Å²	53	49.9 Å²	49.9	32%	0.321	28%	0.28	S	S	.	.	H	α-helix	trans	-62.6	-48.8	172.1	174.5	0	0	0	0	110.3	Q151 N152 Q153 K157 H158 L159 T450	Q151-V155 PolarHBondContact O-N 3.42Å; Q151-V155 VanDerWaalsContact O-N 3.15Å; N152-V155 WeakPolarHBondContact O-CB 3.18Å; N152-V155 PolarHBondContact O-N 3.15Å; Q153-V155 VanDerWaalsContact C-N 3.35Å; Q153-V155 PolarHBondContact O-N 3.16Å; V155-K157 VanDerWaalsContact C-N 3.33Å; V155-K157 PolarHBondContact O-N 2.84Å; V155-H158 WeakPolarHBondContact O-CB 3.13Å; V155-H158 PolarHBondContact O-N 2.99Å; V155-H158 VanDerWaalsContact O-N 3.1Å; V155-L159 HydrophobicContact CG1-CD1 4Å; V155-L159 HydrophobicContact CG1-CG 4.44Å; V155-L159 WeakPolarHBondContact O-CG 3.14Å; V155-L159 PolarHBondContact O-N 3.23Å; V155-T450 HydrophobicContact CG1-CG2 3.84Å
156	L	97	Very high	92.2	Very high	4 Å²	4	55.3 Å²	55.3	2%	0.021	31%	0.311	C	S	.	.	H	α-helix	trans	-60.4	-41.1	179.5	-68.5	171.5	0	0	0	112.5	N152 Q153 H158 L159 L160 I431 L442 F446 P558	N152-L156 WeakPolarHBondContact O-CG 3.49Å; N152-L156 PolarHBondContact O-N 2.86Å; Q153-L156 PolarHBondContact O-N 3.2Å; L156-H158 VanDerWaalsContact C-N 3.32Å; L156-H158 PolarHBondContact O-N 2.92Å; L156-L159 HydrophobicContact CD2-CD1 4.42Å; L156-L159 PolarHBondContact O-N 3.15Å; L156-L160 WeakPolarHBondContact O-CG 3.34Å; L156-L160 PolarHBondContact O-N 3.36Å; L156-I431 HydrophobicContact CB-CD1 4Å; L156-I431 HydrophobicContact CB-CG2 4.2Å; L156-I431 HydrophobicContact CD1-CG2 3.93Å; L156-L442 HydrophobicContact CB-CD1 4.46Å; L156-L442 HydrophobicContact CD1-CD1 4.5Å; L156-L442 HydrophobicContact CD1-CD2 3.91Å; L156-L442 HydrophobicContact CD1-CG 4.1Å; L156-L442 HydrophobicContact CD2-CD1 3.69Å; L156-L442 HydrophobicContact CD2-CD2 4.45Å; L156-L442 HydrophobicContact CD2-CG 3.72Å; L156-L442 HydrophobicContact CG-CD1 4.43Å; L156-L442 HydrophobicContact CG-CG 4.44Å; L156-F446 HydrophobicContact CD2-CB 3.86Å; L156-F446 HydrophobicContact CD2-CD2 3.99Å; L156-F446 HydrophobicContact CD2-CG 4.38Å; L156-F446 HydrophobicContact CG-CD2 4.18Å; L156-P558 HydrophobicContact CD1-CB 4.09Å; L156-P558 HydrophobicContact CD1-CG 4.45Å
157	K	97.1	Very high	92	Very high	56 Å²	56	54.5 Å²	54.5	24%	0.243	31%	0.307	C	S	.	.	H	α-helix	trans	-55.5	-48.1	172.7	-173.8	-163.2	-171.4	-69	0	111.4	Q153 V155 L159 L160 E161 W427	Q153-K157 WeakPolarHBondContact O-CB 3.19Å; Q153-K157 PolarHBondContact O-N 3.34Å; V155-K157 VanDerWaalsContact C-N 3.33Å; V155-K157 PolarHBondContact O-N 2.84Å; K157-L159 VanDerWaalsContact C-N 3.3Å; K157-L159 PolarHBondContact O-N 2.77Å; K157-L160 PolarHBondContact O-N 2.82Å; K157-E161 WeakPolarHBondContact CG-OE1 3.41Å; K157-E161 VanDerWaalsContact NZ-CD 3.26Å; K157-E161 IonicContact NZ-OE1 4Å; K157-E161 PolarHBondContact NZ-OE1 3.21Å; K157-E161 IonicContact NZ-OE2 3.52Å; K157-E161 PolarHBondContact NZ-OE2 3.28Å; K157-E161 WeakPolarHBondContact O-CB 3.06Å; K157-E161 PolarHBondContact O-N 2.9Å; K157-W427 HydrophobicContact CB-CE3 3.74Å; K157-W427 HydrophobicContact CB-CZ3 3.79Å; K157-W427 HydrophobicContact CD-CD2 3.49Å; K157-W427 VanDerWaalsContact CD-CD2 3.49Å; K157-W427 HydrophobicContact CD-CE3 3.58Å; K157-W427 HydrophobicContact CD-CG 3.93Å; K157-W427 HydrophobicContact CD-CH2 4.27Å; K157-W427 HydrophobicContact CD-CZ2 4.19Å; K157-W427 HydrophobicContact CD-CZ3 3.97Å; K157-W427 HydrophobicContact CG-CD2 4.06Å; K157-W427 HydrophobicContact CG-CE3 3.75Å; K157-W427 HydrophobicContact CG-CG 4.45Å; K157-W427 HydrophobicContact CG-CZ3 4.24Å
158	H	96.2	Very high	91.7	Very high	137 Å²	137	57.6 Å²	57.6	63%	0.634	33%	0.328	S	S	*	.	H	α-helix	trans	-62.7	-38.1	179.2	-177.5	61	0	0	0	112.2	A154 V155 L156 N162	A154-H158 PolarHBondContact O-N 3.41Å; V155-H158 WeakPolarHBondContact O-CB 3.13Å; V155-H158 PolarHBondContact O-N 2.99Å; V155-H158 VanDerWaalsContact O-N 3.1Å; L156-H158 VanDerWaalsContact C-N 3.32Å; L156-H158 PolarHBondContact O-N 2.92Å; H158-N162 PolarHBondContact O-N 3.14Å
159	L	94.8	Very high	91.7	Very high	40 Å²	40	57.4 Å²	57.4	21%	0.209	33%	0.328	C	S	.	.	H	α-helix	trans	-67.1	-45.3	178.1	-66.5	170.7	0	0	0	112.1	V155 L156 K157 F165 L445 A449	V155-L159 HydrophobicContact CG1-CD1 4Å; V155-L159 HydrophobicContact CG1-CG 4.44Å; V155-L159 WeakPolarHBondContact O-CG 3.14Å; V155-L159 PolarHBondContact O-N 3.23Å; L156-L159 HydrophobicContact CD2-CD1 4.42Å; L156-L159 PolarHBondContact O-N 3.15Å; K157-L159 VanDerWaalsContact C-N 3.3Å; K157-L159 PolarHBondContact O-N 2.77Å; L159-F165 WeakPolarHBondContact O-CD2 3.47Å; L159-L445 HydrophobicContact CD1-CB 4.21Å; L159-A449 HydrophobicContact CD1-CB 3.88Å; L159-A449 HydrophobicContact CD2-CB 4.05Å
160	L	95.6	Very high	91.8	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-77.9	-31.4	-176.2	-65.3	178.6	0	0	0	113.8	L156 K157 N162 T175 Q176 Y179 I431 T434 L442 L445	L156-L160 WeakPolarHBondContact O-CG 3.34Å; L156-L160 PolarHBondContact O-N 3.36Å; K157-L160 PolarHBondContact O-N 2.82Å; L160-N162 VanDerWaalsContact C-N 3.32Å; L160-T175 HydrophobicContact CD2-CG2 4.06Å; L160-Q176 HydrophobicContact CD2-CB 4.44Å; L160-Q176 PolarHBondContact O-NE2 3.24Å; L160-Y179 HydrophobicContact CB-CD1 3.75Å; L160-Y179 HydrophobicContact CB-CE1 4.04Å; L160-Y179 HydrophobicContact CB-CG 4.27Å; L160-Y179 HydrophobicContact CD1-CD1 3.98Å; L160-Y179 HydrophobicContact CD1-CD2 3.94Å; L160-Y179 HydrophobicContact CD1-CG 3.62Å; L160-I431 HydrophobicContact CD1-CD1 3.55Å; L160-T434 HydrophobicContact CD1-CG2 4.45Å; L160-L442 HydrophobicContact CD1-CD1 3.77Å; L160-L442 HydrophobicContact CD2-CD1 4.2Å; L160-L442 HydrophobicContact CG-CD1 4.18Å; L160-L445 HydrophobicContact CD2-CD1 3.74Å
161	E	95	Very high	92	Very high	80 Å²	80	56.9 Å²	56.9	37%	0.374	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	8.9	178.5	-65.4	-179	-160.7	0	0	113.6	K157 G163 Y179	K157-E161 WeakPolarHBondContact CG-OE1 3.41Å; K157-E161 VanDerWaalsContact NZ-CD 3.26Å; K157-E161 IonicContact NZ-OE1 4Å; K157-E161 PolarHBondContact NZ-OE1 3.21Å; K157-E161 IonicContact NZ-OE2 3.52Å; K157-E161 PolarHBondContact NZ-OE2 3.28Å; K157-E161 WeakPolarHBondContact O-CB 3.06Å; K157-E161 PolarHBondContact O-N 2.9Å; E161-G163 PolarHBondContact O-N 3.46Å; E161-Y179 HydrophobicContact CG-CE1 3.58Å; E161-Y179 PolarHBondContact OE1-OH 3.24Å
162	N	88.1	Confident	92	Very high	64 Å²	64	52.2 Å²	52.2	34%	0.342	31%	0.306	S	S	.	.			trans	-67.1	118.5	178.4	-171.9	-11.1	0	0	0	110.5	H158 L160 T164 F165	H158-N162 PolarHBondContact O-N 3.14Å; L160-N162 VanDerWaalsContact C-N 3.32Å; N162-T164 PolarHBondContact O-N 3.17Å; N162-T164 PolarHBondContact OD1-N 3.14Å; N162-T164 PolarHBondContact OD1-OG1 2.85Å; N162-T164 VanDerWaalsContact OD1-OG1 3.09Å; N162-F165 WeakPolarHBondContact O-CB 3.2Å; N162-F165 PolarHBondContact O-N 2.89Å
163	G	75.5	Confident	91.9	Very high	84 Å²	84	56.7 Å²	56.7	87%	0.866	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-12.8	179	0	0	0	0	0	115	E161	E161-G163 PolarHBondContact O-N 3.46Å
164	T	82.6	Confident	92	Very high	111 Å²	111	57.2 Å²	57.2	68%	0.681	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.4	18.3	171.3	67.9	0	0	0	0	112.6	N162 N166	N162-T164 PolarHBondContact O-N 3.17Å; N162-T164 PolarHBondContact OD1-N 3.14Å; N162-T164 PolarHBondContact OD1-OG1 2.85Å; N162-T164 VanDerWaalsContact OD1-OG1 3.09Å; T164-N166 PolarHBondContact O-N 3.23Å
165	F	82.4	Confident	92	Very high	43 Å²	43	54.9 Å²	54.9	19%	0.189	31%	0.305	C	S	.	.			trans	-58.3	115.8	176.9	-174	-87	0	0	0	109.4	L159 N162 E172 Q176 L445	L159-F165 WeakPolarHBondContact O-CD2 3.47Å; N162-F165 WeakPolarHBondContact O-CB 3.2Å; N162-F165 PolarHBondContact O-N 2.89Å; F165-E172 HydrophobicContact CZ-CB 4.23Å; F165-Q176 VanDerWaalsContact CB-NE2 3.26Å; F165-Q176 HydrophobicContact CD1-CB 4.33Å; F165-Q176 VanDerWaalsContact CD1-CD 3.41Å; F165-Q176 HydrophobicContact CD1-CG 4.42Å; F165-Q176 HydrophobicContact CE1-CB 3.98Å; F165-Q176 HydrophobicContact CZ-CB 4.28Å; F165-L445 HydrophobicContact CE2-CD1 4.09Å; F165-L445 HydrophobicContact CE2-CD2 4.03Å; F165-L445 HydrophobicContact CZ-CD1 4.37Å; F165-L445 HydrophobicContact CZ-CD2 4.41Å
166	N	80	Confident	92	Very high	153 Å²	153	53.9 Å²	53.9	82%	0.818	30%	0.297	S	S	*	.			trans	-145.5	97.7	176.6	-175.8	13.6	0	0	0	107.4	T164	T164-N166 PolarHBondContact O-N 3.23Å
167	S	88.4	Confident	92	Very high	12 Å²	12	54.7 Å²	54.7	8%	0.084	30%	0.303	C	S	.	.			trans	-104	139.6	175	-177.8	0	0	0	0	110.7	S169 E172 R173	S167-S169 VanDerWaalsContact C-N 3.3Å; S167-S169 PolarHBondContact OG-N 3.06Å; S167-E172 WeakPolarHBondContact CB-OE2 3.24Å; S167-E172 PolarHBondContact OG-OE2 3.33Å; S167-R173 PolarHBondContact O-NH1 3.06Å
168	S	87.9	Confident	92	Very high	100 Å²	100	52.1 Å²	52.1	70%	0.699	29%	0.291	S	S	*	.	S	Bend	trans	-70.9	-24.9	168.4	54	0	0	0	0	112.7	R173	S168-R173 PolarHBondContact O-NH1 2.86Å
169	S	95.6	Very high	92	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	26%	0.261	C	S	.	.			trans	-74.6	130.6	177.2	163.2	0	0	0	0	111	S167 A171 E172 R173 D512	S167-S169 VanDerWaalsContact C-N 3.3Å; S167-S169 PolarHBondContact OG-N 3.06Å; S169-A171 PolarHBondContact OG-N 3.28Å; S169-E172 PolarHBondContact OG-N 2.96Å; S169-R173 WeakPolarHBondContact O-CG 3.34Å; S169-R173 PolarHBondContact O-N 3.12Å; S169-R173 PolarHBondContact O-NH1 3.3Å; S169-D512 WeakPolarHBondContact CB-OD1 3.16Å; S169-D512 PolarHBondContact OG-OD1 2.71Å
170	E	96.3	Very high	92.1	Very high	86 Å²	86	46.3 Å²	46.3	40%	0.402	27%	0.265	S	S	.	.	H	α-helix	trans	-66.3	-40.6	172.2	-168.9	179.4	142.6	0	0	112.4	E172 R173 K174 D512	E170-E172 VanDerWaalsContact C-N 3.33Å; E170-E172 PolarHBondContact O-N 3.21Å; E170-R173 VanDerWaalsContact CA-NH2 3.27Å; E170-R173 PolarHBondContact O-N 3.34Å; E170-R173 VanDerWaalsContact O-N 3.14Å; E170-K174 HydrophobicContact CG-CD 4.33Å; E170-K174 HydrophobicContact CG-CG 4.47Å; E170-K174 WeakPolarHBondContact O-CG 3.38Å; E170-K174 PolarHBondContact O-N 3.25Å; E170-K174 WeakPolarHBondContact OE1-CE 3.28Å; E170-K174 IonicContact OE1-NZ 2.65Å; E170-K174 PolarHBondContact OE1-NZ 2.82Å; E170-D512 VanDerWaalsContact N-CG 3.26Å; E170-D512 PolarHBondContact N-OD1 3.22Å; E170-D512 PolarHBondContact N-OD2 3.08Å
171	A	97.2	Very high	92.2	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.008	27%	0.266	C	S	.	.	H	α-helix	trans	-59.5	-43	177.6	0	0	0	0	0	112.1	S169 K174 T175 A441 L511 D512 Y515	S169-A171 PolarHBondContact OG-N 3.28Å; A171-K174 PolarHBondContact O-N 3.41Å; A171-T175 WeakPolarHBondContact O-CB 3.42Å; A171-T175 PolarHBondContact O-N 3.02Å; A171-T175 PolarHBondContact O-OG1 3.03Å; A171-A441 HydrophobicContact CB-CB 3.97Å; A171-L511 HydrophobicContact CB-CD2 4.21Å; A171-L511 HydrophobicContact CB-CG 3.83Å; A171-D512 WeakPolarHBondContact CB-OD1 3.21Å; A171-D512 PolarHBondContact N-OD1 3.01Å; A171-Y515 HydrophobicContact CB-CD2 3.59Å; A171-Y515 HydrophobicContact CB-CE2 4.31Å; A171-Y515 HydrophobicContact CB-CG 4.35Å
172	E	96.6	Very high	92.3	Very high	9 Å²	9	42.7 Å²	42.7	4%	0.042	25%	0.248	C	C	.	.	H	α-helix	trans	-65.5	-37.8	175.6	-70.3	-177.8	179.9	0	0	112	F165 S167 S169 E170 T175 Q176 L445 K448 L511	F165-E172 HydrophobicContact CZ-CB 4.23Å; S167-E172 WeakPolarHBondContact CB-OE2 3.24Å; S167-E172 PolarHBondContact OG-OE2 3.33Å; S169-E172 PolarHBondContact OG-N 2.96Å; E170-E172 VanDerWaalsContact C-N 3.33Å; E170-E172 PolarHBondContact O-N 3.21Å; E172-T175 WeakPolarHBondContact O-CB 3.44Å; E172-T175 PolarHBondContact O-N 3.28Å; E172-Q176 PolarHBondContact O-N 2.94Å; E172-Q176 VanDerWaalsContact O-N 3.14Å; E172-L445 HydrophobicContact CB-CD2 4.42Å; E172-L445 HydrophobicContact CG-CD2 4.02Å; E172-L445 HydrophobicContact CG-CG 4.17Å; E172-K448 IonicContact OE1-NZ 3.42Å; E172-K448 PolarHBondContact OE1-NZ 3.24Å; E172-K448 IonicContact OE2-NZ 3.96Å; E172-L511 HydrophobicContact CG-CD2 4.27Å
173	R	95.6	Very high	92.7	Very high	99 Å²	99	41.8 Å²	41.8	37%	0.374	24%	0.243	S	C	.	.	H	α-helix	trans	-65.8	-45.8	173.7	-69.4	-172.4	-57.6	-88.6	-1.2	112	S167 S168 S169 E170 T175 Q176 S177	S167-R173 PolarHBondContact O-NH1 3.06Å; S168-R173 PolarHBondContact O-NH1 2.86Å; S169-R173 WeakPolarHBondContact O-CG 3.34Å; S169-R173 PolarHBondContact O-N 3.12Å; S169-R173 PolarHBondContact O-NH1 3.3Å; E170-R173 VanDerWaalsContact CA-NH2 3.27Å; E170-R173 PolarHBondContact O-N 3.34Å; E170-R173 VanDerWaalsContact O-N 3.14Å; R173-T175 PolarHBondContact O-N 3.47Å; R173-Q176 PolarHBondContact O-N 2.61Å; R173-Q176 VanDerWaalsContact O-N 3.12Å; R173-S177 PolarHBondContact O-N 2.95Å; R173-S177 PolarHBondContact O-OG 3.08Å
174	K	96.6	Very high	93.7	Very high	20 Å²	20	40.9 Å²	40.9	9%	0.087	22%	0.218	C	C	.	.	H	α-helix	trans	-55.7	-39.7	173.5	-75.6	174.5	175.2	170.8	0	111.3	E170 A171 S177 Y178 Y515 Y518 V520	E170-K174 HydrophobicContact CG-CD 4.33Å; E170-K174 HydrophobicContact CG-CG 4.47Å; E170-K174 WeakPolarHBondContact O-CG 3.38Å; E170-K174 PolarHBondContact O-N 3.25Å; E170-K174 WeakPolarHBondContact OE1-CE 3.28Å; E170-K174 IonicContact OE1-NZ 2.65Å; E170-K174 PolarHBondContact OE1-NZ 2.82Å; A171-K174 PolarHBondContact O-N 3.41Å; K174-S177 PolarHBondContact O-N 2.99Å; K174-Y178 WeakPolarHBondContact O-CB 3.4Å; K174-Y178 PolarHBondContact O-N 2.92Å; K174-Y515 PolarHBondContact NZ-O 3.17Å; K174-Y515 VanDerWaalsContact NZ-O 3.12Å; K174-Y518 WeakPolarHBondContact CD-O 3.44Å; K174-Y518 WeakPolarHBondContact CE-O 3.28Å; K174-Y518 PolarHBondContact NZ-O 3.15Å; K174-V520 HydrophobicContact CB-CB 4.44Å; K174-V520 HydrophobicContact CB-CG2 4.17Å; K174-V520 HydrophobicContact CG-CB 4.42Å; K174-V520 HydrophobicContact CG-CG2 4.34Å
175	T	97.1	Very high	94.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-60.6	-45.5	176.4	-55.5	0	0	0	0	112	L160 A171 E172 R173 Y179 T434 L438 A441 L442	L160-T175 HydrophobicContact CD2-CG2 4.06Å; A171-T175 WeakPolarHBondContact O-CB 3.42Å; A171-T175 PolarHBondContact O-N 3.02Å; A171-T175 PolarHBondContact O-OG1 3.03Å; E172-T175 WeakPolarHBondContact O-CB 3.44Å; E172-T175 PolarHBondContact O-N 3.28Å; R173-T175 PolarHBondContact O-N 3.47Å; T175-Y179 WeakPolarHBondContact O-CB 3.28Å; T175-Y179 PolarHBondContact O-N 3.16Å; T175-Y179 VanDerWaalsContact O-N 3.15Å; T175-T434 HydrophobicContact CG2-CG2 3.47Å; T175-T434 VanDerWaalsContact CG2-CG2 3.47Å; T175-L438 HydrophobicContact CG2-CB 4.28Å; T175-A441 WeakPolarHBondContact OG1-CB 3.46Å; T175-L442 HydrophobicContact CG2-CB 4.09Å; T175-L442 HydrophobicContact CG2-CD1 3.94Å
176	Q	96.3	Very high	95.1	Very high	33 Å²	33	44.2 Å²	44.2	15%	0.154	23%	0.227	C	C	.	.	H	α-helix	trans	-63.8	-49.5	174.3	-173.7	-178	46.3	0	0	111.5	L160 F165 E172 R173 Y178 Y179 L180	L160-Q176 HydrophobicContact CD2-CB 4.44Å; L160-Q176 PolarHBondContact O-NE2 3.24Å; F165-Q176 VanDerWaalsContact CB-NE2 3.26Å; F165-Q176 HydrophobicContact CD1-CB 4.33Å; F165-Q176 VanDerWaalsContact CD1-CD 3.41Å; F165-Q176 HydrophobicContact CD1-CG 4.42Å; F165-Q176 HydrophobicContact CE1-CB 3.98Å; F165-Q176 HydrophobicContact CZ-CB 4.28Å; E172-Q176 PolarHBondContact O-N 2.94Å; E172-Q176 VanDerWaalsContact O-N 3.14Å; R173-Q176 PolarHBondContact O-N 2.61Å; R173-Q176 VanDerWaalsContact O-N 3.12Å; Q176-Y178 VanDerWaalsContact C-N 3.33Å; Q176-Y178 PolarHBondContact O-N 2.96Å; Q176-Y179 WeakPolarHBondContact O-CB 3.31Å; Q176-Y179 PolarHBondContact O-N 3.16Å; Q176-L180 HydrophobicContact CG-CD1 3.93Å; Q176-L180 HydrophobicContact CG-CG 4.23Å; Q176-L180 WeakPolarHBondContact O-CG 3.2Å; Q176-L180 PolarHBondContact O-N 2.98Å
177	S	96.1	Very high	95.9	Very high	21 Å²	21	41 Å²	41	15%	0.147	20%	0.203	C	C	.	.	H	α-helix	trans	-61.8	-39.5	-178.1	-63.1	0	0	0	0	112.5	R173 K174 L180 S181 E522	R173-S177 PolarHBondContact O-N 2.95Å; R173-S177 PolarHBondContact O-OG 3.08Å; K174-S177 PolarHBondContact O-N 2.99Å; S177-L180 PolarHBondContact O-N 2.82Å; S177-S181 WeakPolarHBondContact O-CB 3.4Å; S177-S181 PolarHBondContact O-N 3.41Å; S177-E522 VanDerWaalsContact CB-CG 3.45Å; S177-E522 WeakPolarHBondContact OG-CG 3.48Å; S177-E522 PolarHBondContact OG-OE1 3.28Å
178	Y	97.6	Very high	96.4	Very high	1 Å²	1	41 Å²	41	0%	0.004	20%	0.202	C	C	.	.	H	α-helix	trans	-60.5	-48.9	174.3	-175.1	-87.6	0	0	0	111	K174 Q176 L180 S181 C182 N433 T434 T437 L438 Y518 V520 F525 N528	K174-Y178 WeakPolarHBondContact O-CB 3.4Å; K174-Y178 PolarHBondContact O-N 2.92Å; Q176-Y178 VanDerWaalsContact C-N 3.33Å; Q176-Y178 PolarHBondContact O-N 2.96Å; Y178-L180 PolarHBondContact O-N 3.37Å; Y178-S181 PolarHBondContact O-N 2.64Å; Y178-S181 PolarHBondContact O-OG 3.48Å; Y178-C182 PolarHBondContact O-N 3.24Å; Y178-C182 VanDerWaalsContact O-N 3.17Å; Y178-N433 HydrophobicContact CE1-CB 4.21Å; Y178-N433 WeakPolarHBondContact CE1-O 3.29Å; Y178-T434 HydrophobicContact CD1-CG2 4.42Å; Y178-T434 WeakPolarHBondContact CD1-OG1 3.36Å; Y178-T437 HydrophobicContact CD2-CG2 4.14Å; Y178-T437 HydrophobicContact CE2-CG2 3.74Å; Y178-T437 PolarHBondContact OH-OG1 3.44Å; Y178-L438 HydrophobicContact CG-CD1 4.19Å; Y178-Y518 VanDerWaalsContact CD2-OH 3.27Å; Y178-Y518 WeakPolarHBondContact CD2-OH 3.37Å; Y178-Y518 VanDerWaalsContact CE2-OH 3.3Å; Y178-Y518 WeakPolarHBondContact CE2-OH 3.38Å; Y178-V520 HydrophobicContact CD2-CG1 4.39Å; Y178-F525 AromaticContact CE1-CE2 3.97Å; Y178-F525 HydrophobicContact CE1-CE2 3.97Å; Y178-F525 HydrophobicContact CE2-CE2 4.49Å; Y178-F525 AromaticContact CZ-CE2 3.81Å; Y178-N528 HydrophobicContact CD2-CB 3.73Å; Y178-N528 HydrophobicContact CE2-CB 3.72Å
179	Y	97.5	Very high	96.8	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-59.2	-46.4	177.7	173.3	-104.7	0	0	0	112.5	L160 E161 T175 Q176 S181 C182 L183 W427 C430 I431	L160-Y179 HydrophobicContact CB-CD1 3.75Å; L160-Y179 HydrophobicContact CB-CE1 4.04Å; L160-Y179 HydrophobicContact CB-CG 4.27Å; L160-Y179 HydrophobicContact CD1-CD1 3.98Å; L160-Y179 HydrophobicContact CD1-CD2 3.94Å; L160-Y179 HydrophobicContact CD1-CG 3.62Å; E161-Y179 HydrophobicContact CG-CE1 3.58Å; E161-Y179 PolarHBondContact OE1-OH 3.24Å; T175-Y179 WeakPolarHBondContact O-CB 3.28Å; T175-Y179 PolarHBondContact O-N 3.16Å; T175-Y179 VanDerWaalsContact O-N 3.15Å; Q176-Y179 WeakPolarHBondContact O-CB 3.31Å; Q176-Y179 PolarHBondContact O-N 3.16Å; Y179-S181 VanDerWaalsContact C-N 3.32Å; Y179-S181 PolarHBondContact O-N 3.42Å; Y179-C182 WeakPolarHBondContact O-CB 3.47Å; Y179-C182 PolarHBondContact O-N 3.41Å; Y179-L183 HydrophobicContact CD1-CD1 3.99Å; Y179-L183 HydrophobicContact CD1-CG 4.5Å; Y179-L183 HydrophobicContact CE1-CD1 3.26Å; Y179-L183 HydrophobicContact CE1-CG 3.99Å; Y179-L183 HydrophobicContact CE2-CD1 4.34Å; Y179-L183 HydrophobicContact CE2-CG 4.24Å; Y179-L183 VanDerWaalsContact CZ-CD1 3.48Å; Y179-L183 PolarHBondContact O-N 3.19Å; Y179-L183 VanDerWaalsContact O-N 3.08Å; Y179-W427 WeakPolarHBondContact OH-CB 3.48Å; Y179-C430 HydrophobicContact CD2-CB 3.71Å; Y179-C430 HydrophobicContact CE2-CB 3.64Å; Y179-I431 HydrophobicContact CD2-CD1 3.8Å; Y179-I431 HydrophobicContact CD2-CG1 4.39Å; Y179-I431 HydrophobicContact CE2-CD1 3.48Å; Y179-I431 VanDerWaalsContact CE2-CD1 3.48Å; Y179-I431 HydrophobicContact CE2-CG1 3.77Å
180	L	96.8	Very high	96.9	Very high	56 Å²	56	45.8 Å²	45.8	29%	0.293	21%	0.214	S	C	.	.	H	α-helix	trans	-63.5	-36.9	177.8	-68	177.1	0	0	0	112.1	Q176 S177 Y178 C182 L183 N184	Q176-L180 HydrophobicContact CG-CD1 3.93Å; Q176-L180 HydrophobicContact CG-CG 4.23Å; Q176-L180 WeakPolarHBondContact O-CG 3.2Å; Q176-L180 PolarHBondContact O-N 2.98Å; S177-L180 PolarHBondContact O-N 2.82Å; Y178-L180 PolarHBondContact O-N 3.37Å; L180-C182 VanDerWaalsContact C-N 3.3Å; L180-C182 PolarHBondContact O-N 2.58Å; L180-L183 HydrophobicContact CD2-CD1 4.35Å; L180-L183 PolarHBondContact O-N 3.13Å; L180-N184 PolarHBondContact O-N 3.05Å
181	S	97.5	Very high	97	Very high	3 Å²	3	43.8 Å²	43.8	2%	0.021	21%	0.206	C	C	.	.	H	α-helix	trans	-61.7	-38.6	175	80.8	0	0	0	0	112.3	S177 Y178 Y179 N184 T521 E522 N528	S177-S181 WeakPolarHBondContact O-CB 3.4Å; S177-S181 PolarHBondContact O-N 3.41Å; Y178-S181 PolarHBondContact O-N 2.64Å; Y178-S181 PolarHBondContact O-OG 3.48Å; Y179-S181 VanDerWaalsContact C-N 3.32Å; Y179-S181 PolarHBondContact O-N 3.42Å; S181-N184 PolarHBondContact O-N 2.96Å; S181-T521 WeakPolarHBondContact CB-O 3.46Å; S181-E522 VanDerWaalsContact CA-O 3.24Å; S181-E522 WeakPolarHBondContact CA-O 3.32Å; S181-E522 WeakPolarHBondContact CB-O 3.3Å; S181-N528 WeakPolarHBondContact CB-ND2 3.41Å; S181-N528 PolarHBondContact OG-ND2 2.95Å
182	C	97.4	Very high	97	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-69.6	-35.5	176.6	176.3	0	0	0	0	112.4	Y178 Y179 L180 N184 R426 C430 F525	Y178-C182 PolarHBondContact O-N 3.24Å; Y178-C182 VanDerWaalsContact O-N 3.17Å; Y179-C182 WeakPolarHBondContact O-CB 3.47Å; Y179-C182 PolarHBondContact O-N 3.41Å; L180-C182 VanDerWaalsContact C-N 3.3Å; L180-C182 PolarHBondContact O-N 2.58Å; C182-N184 VanDerWaalsContact C-N 3.29Å; C182-N184 PolarHBondContact O-N 3.27Å; C182-R426 PolarHBondContact O-NE 2.97Å; C182-R426 PolarHBondContact O-NH2 2.79Å; C182-C430 HydrophobicContact CB-CB 3.64Å; C182-C430 WeakPolarHBondContact CB-SG 3.45Å; C182-C430 PolarHBondContact O-SG 2.97Å; C182-C430 VanDerWaalsContact O-SG 3.34Å; C182-C430 WeakPolarHBondContact SG-CA 3.47Å; C182-C430 WeakPolarHBondContact SG-CB 3.31Å; C182-C430 CovalentContact SG-SG 2.04Å; C182-C430 PolarHBondContact SG-SG 3.41Å; C182-F525 HydrophobicContact CB-CD2 3.62Å; C182-F525 HydrophobicContact CB-CE1 4.49Å; C182-F525 HydrophobicContact CB-CE2 3.56Å; C182-F525 HydrophobicContact CB-CG 4.15Å; C182-F525 HydrophobicContact CB-CZ 4.03Å
183	L	96.5	Very high	97.1	Very high	45 Å²	45	44 Å²	44	24%	0.236	21%	0.21	C	C	.	.	H	α-helix	trans	-70	-22.9	177.9	-79.3	-176.4	0	0	0	113.6	Y179 L180 E185 R426 W427 C430	Y179-L183 HydrophobicContact CD1-CD1 3.99Å; Y179-L183 HydrophobicContact CD1-CG 4.5Å; Y179-L183 HydrophobicContact CE1-CD1 3.26Å; Y179-L183 HydrophobicContact CE1-CG 3.99Å; Y179-L183 HydrophobicContact CE2-CD1 4.34Å; Y179-L183 HydrophobicContact CE2-CG 4.24Å; Y179-L183 VanDerWaalsContact CZ-CD1 3.48Å; Y179-L183 PolarHBondContact O-N 3.19Å; Y179-L183 VanDerWaalsContact O-N 3.08Å; L180-L183 HydrophobicContact CD2-CD1 4.35Å; L180-L183 PolarHBondContact O-N 3.13Å; L183-E185 PolarHBondContact O-N 2.87Å; L183-R426 HydrophobicContact CD2-CG 4.26Å; L183-W427 HydrophobicContact CD2-CB 3.93Å; L183-C430 HydrophobicContact CD2-CB 4.41Å
184	N	96.8	Very high	97.2	Very high	65 Å²	65	44 Å²	44	35%	0.348	21%	0.214	S	C	.	.			trans	-78.3	69.9	-176	-168.8	-7.2	0	0	0	112.2	L180 S181 C182 Q186 R187 I188	L180-N184 PolarHBondContact O-N 3.05Å; S181-N184 PolarHBondContact O-N 2.96Å; C182-N184 VanDerWaalsContact C-N 3.29Å; C182-N184 PolarHBondContact O-N 3.27Å; N184-Q186 PolarHBondContact O-N 2.99Å; N184-R187 HydrophobicContact CB-CB 4.36Å; N184-R187 PolarHBondContact O-N 2.83Å; N184-R187 VanDerWaalsContact O-N 3.11Å; N184-R187 PolarHBondContact OD1-N 3.49Å; N184-I188 PolarHBondContact O-N 3.45Å
185	E	95.6	Very high	97.3	Very high	87 Å²	87	44 Å²	44	41%	0.407	22%	0.216	S	C	.	.	H	α-helix	trans	-57	-37.4	-179.4	-67.6	177.2	112.1	0	0	112	L183 R187 I188 E189 R426	L183-E185 PolarHBondContact O-N 2.87Å; E185-R187 VanDerWaalsContact C-N 3.28Å; E185-R187 PolarHBondContact O-N 3.17Å; E185-I188 PolarHBondContact O-N 3.19Å; E185-I188 VanDerWaalsContact O-N 3.13Å; E185-E189 WeakPolarHBondContact O-CB 3.33Å; E185-E189 VanDerWaalsContact O-CG 3.3Å; E185-E189 WeakPolarHBondContact O-CG 3.38Å; E185-E189 PolarHBondContact O-N 3.46Å; E185-R426 HydrophobicContact CG-CG 3.96Å
186	Q	97.3	Very high	97.3	Very high	138 Å²	138	44 Å²	44	65%	0.645	22%	0.216	S	C	*	.	H	α-helix	trans	-54.9	-46.1	177.2	-177.3	-174.5	-18.8	0	0	111.3	N184 E189 E190	N184-Q186 PolarHBondContact O-N 2.99Å; Q186-E189 PolarHBondContact O-N 2.94Å; Q186-E190 PolarHBondContact NE2-OE1 2.97Å; Q186-E190 WeakPolarHBondContact O-CB 3.26Å; Q186-E190 VanDerWaalsContact O-CG 3.26Å; Q186-E190 WeakPolarHBondContact O-CG 3.39Å; Q186-E190 PolarHBondContact O-N 3.3Å
187	R	97.7	Very high	97.4	Very high	84 Å²	84	45.1 Å²	45.1	32%	0.317	22%	0.222	S	C	.	.	H	α-helix	trans	-69.2	-36.2	-179.4	-177.6	53.1	178.8	160.7	3.2	112.4	N184 E185 E190 L191 D523	N184-R187 HydrophobicContact CB-CB 4.36Å; N184-R187 PolarHBondContact O-N 2.83Å; N184-R187 VanDerWaalsContact O-N 3.11Å; N184-R187 PolarHBondContact OD1-N 3.49Å; E185-R187 VanDerWaalsContact C-N 3.28Å; E185-R187 PolarHBondContact O-N 3.17Å; R187-E190 IonicContact NH1-OE2 2.78Å; R187-E190 PolarHBondContact NH1-OE2 3.06Å; R187-E190 PolarHBondContact O-N 3.46Å; R187-L191 HydrophobicContact CG-CD1 4.48Å; R187-L191 WeakPolarHBondContact O-CG 3.48Å; R187-L191 PolarHBondContact O-N 3.39Å; R187-D523 WeakPolarHBondContact CG-O 3.45Å
188	I	97.6	Very high	97.4	Very high	13 Å²	13	48.4 Å²	48.4	7%	0.067	24%	0.238	C	C	.	.	H	α-helix	trans	-65.8	-44.9	176.8	-63.4	171.8	0	0	0	110.1	N184 E185 E190 L191 G192 L401 F525	N184-I188 PolarHBondContact O-N 3.45Å; E185-I188 PolarHBondContact O-N 3.19Å; E185-I188 VanDerWaalsContact O-N 3.13Å; I188-E190 PolarHBondContact O-N 3.5Å; I188-L191 PolarHBondContact O-N 3.18Å; I188-G192 PolarHBondContact O-N 3.14Å; I188-L401 VanDerWaalsContact CG2-C 3.47Å; I188-L401 VanDerWaalsContact CG2-O 3.31Å; I188-L401 WeakPolarHBondContact CG2-O 3.14Å; I188-F525 HydrophobicContact CD1-CB 4.14Å; I188-F525 HydrophobicContact CD1-CD1 4.03Å; I188-F525 HydrophobicContact CD1-CG 4.41Å; I188-F525 HydrophobicContact CG1-CB 4.4Å
189	E	97.8	Very high	97.4	Very high	87 Å²	87	49 Å²	49	41%	0.407	24%	0.241	S	C	.	.	H	α-helix	trans	-62.5	-40.7	175.2	-69.1	-60.1	137.5	0	0	112.5	E185 Q186 L191 G192 Q403	E185-E189 WeakPolarHBondContact O-CB 3.33Å; E185-E189 VanDerWaalsContact O-CG 3.3Å; E185-E189 WeakPolarHBondContact O-CG 3.38Å; E185-E189 PolarHBondContact O-N 3.46Å; Q186-E189 PolarHBondContact O-N 2.94Å; E189-L191 VanDerWaalsContact C-N 3.3Å; E189-L191 PolarHBondContact O-N 2.84Å; E189-G192 PolarHBondContact O-N 2.99Å; E189-Q403 WeakPolarHBondContact OE1-CB 3.35Å; E189-Q403 PolarHBondContact OE1-N 2.85Å
190	E	98	Very high	97.4	Very high	114 Å²	114	49.3 Å²	49.3	53%	0.533	24%	0.243	S	C	.	.	H	α-helix	trans	-61.4	-36.7	176.3	-78.7	172.6	-168.8	0	0	112.8	Q186 R187 I188	Q186-E190 PolarHBondContact NE2-OE1 2.97Å; Q186-E190 WeakPolarHBondContact O-CB 3.26Å; Q186-E190 VanDerWaalsContact O-CG 3.26Å; Q186-E190 WeakPolarHBondContact O-CG 3.39Å; Q186-E190 PolarHBondContact O-N 3.3Å; R187-E190 IonicContact NH1-OE2 2.78Å; R187-E190 PolarHBondContact NH1-OE2 3.06Å; R187-E190 PolarHBondContact O-N 3.46Å; I188-E190 PolarHBondContact O-N 3.5Å
191	L	97.8	Very high	97.4	Very high	44 Å²	44	51.4 Å²	51.4	23%	0.23	26%	0.258	C	S	.	.	H	α-helix	trans	-79.6	-33.6	179	-72.2	173.7	0	0	0	112.5	R187 I188 E189 A193 Q194 P195	R187-L191 HydrophobicContact CG-CD1 4.48Å; R187-L191 WeakPolarHBondContact O-CG 3.48Å; R187-L191 PolarHBondContact O-N 3.39Å; I188-L191 PolarHBondContact O-N 3.18Å; E189-L191 VanDerWaalsContact C-N 3.3Å; E189-L191 PolarHBondContact O-N 2.84Å; L191-A193 PolarHBondContact O-N 3.31Å; L191-Q194 VanDerWaalsContact O-CB 3.31Å; L191-Q194 WeakPolarHBondContact O-CB 3.32Å; L191-Q194 PolarHBondContact O-N 3.09Å; L191-P195 HydrophobicContact CB-CG 3.98Å; L191-P195 HydrophobicContact CD1-CG 4.33Å
192	G	97.6	Very high	97.3	Very high	8 Å²	8	59 Å²	59	8%	0.082	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.5	-132.3	179.6	0	0	0	0	0	113.8	I188 E189 Q194 D402	I188-G192 PolarHBondContact O-N 3.14Å; E189-G192 PolarHBondContact O-N 2.99Å; G192-Q194 VanDerWaalsContact C-N 3.33Å; G192-D402 WeakPolarHBondContact CA-OD2 3.42Å
193	A	97.8	Very high	97.2	Very high	7 Å²	7	59.5 Å²	59.5	6%	0.058	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-12.3	178.6	0	0	0	0	0	114.1	L191 P195 L196 M197 L288 F405	L191-A193 PolarHBondContact O-N 3.31Å; A193-P195 VanDerWaalsContact C-CD 3.48Å; A193-L196 PolarHBondContact O-N 2.9Å; A193-M197 HydrophobicContact CB-CG 4.3Å; A193-M197 HydrophobicContact CB-SD 4.02Å; A193-M197 WeakPolarHBondContact O-CG 3.08Å; A193-M197 PolarHBondContact O-N 3.42Å; A193-L288 HydrophobicContact CB-CD2 4.34Å; A193-F405 HydrophobicContact CB-CE2 3.76Å; A193-F405 HydrophobicContact CB-CZ 3.67Å
194	Q	98.1	Very high	97.1	Very high	97 Å²	97	57.9 Å²	57.9	45%	0.453	29%	0.287	S	S	.	.	H	α-helix	trans	-56.8	-43.6	-167	-166.3	65.6	47.5	0	0	113.5	L191 G192 L196 M197 D198	L191-Q194 VanDerWaalsContact O-CB 3.31Å; L191-Q194 WeakPolarHBondContact O-CB 3.32Å; L191-Q194 PolarHBondContact O-N 3.09Å; G192-Q194 VanDerWaalsContact C-N 3.33Å; Q194-L196 VanDerWaalsContact C-N 3.3Å; Q194-L196 PolarHBondContact O-N 3.1Å; Q194-M197 PolarHBondContact O-N 3.22Å; Q194-D198 PolarHBondContact NE2-OD1 3.43Å; Q194-D198 WeakPolarHBondContact O-CB 3.38Å; Q194-D198 VanDerWaalsContact O-CG 3.29Å; Q194-D198 PolarHBondContact O-N 2.66Å
195	P	97.8	Very high	97.1	Very high	21 Å²	21	54.9 Å²	54.9	14%	0.136	27%	0.271	C	S	.	.	H	α-helix	trans	-58.6	-39.7	-179.4	-25.5	35.6	0	0	0	113.5	L191 A193 L199 F526	L191-P195 HydrophobicContact CB-CG 3.98Å; L191-P195 HydrophobicContact CD1-CG 4.33Å; A193-P195 VanDerWaalsContact C-CD 3.48Å; P195-L199 WeakPolarHBondContact O-CB 3.5Å; P195-L199 PolarHBondContact O-N 3.38Å; P195-F526 HydrophobicContact CB-CB 4.14Å; P195-F526 HydrophobicContact CB-CD1 3.42Å; P195-F526 VanDerWaalsContact CB-CD1 3.42Å; P195-F526 HydrophobicContact CB-CD2 4.09Å; P195-F526 HydrophobicContact CB-CE1 3.76Å; P195-F526 HydrophobicContact CB-CE2 4.41Å; P195-F526 HydrophobicContact CB-CG 3.61Å; P195-F526 HydrophobicContact CB-CZ 4.27Å; P195-F526 HydrophobicContact CG-CG 4.46Å
196	L	97.8	Very high	97.1	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-76.2	-37.8	177.9	-177.5	56.8	0	0	0	111.7	A193 Q194 L199 I200 L288 V394 L401 F526	A193-L196 PolarHBondContact O-N 2.9Å; Q194-L196 VanDerWaalsContact C-N 3.3Å; Q194-L196 PolarHBondContact O-N 3.1Å; L196-L199 HydrophobicContact CD1-CD2 4.4Å; L196-L199 PolarHBondContact O-N 3.31Å; L196-I200 HydrophobicContact CD1-CD1 4.33Å; L196-I200 HydrophobicContact CD1-CG1 4.29Å; L196-I200 HydrophobicContact CG-CD1 4.02Å; L196-I200 HydrophobicContact CG-CG1 4.45Å; L196-I200 VanDerWaalsContact O-CG1 3.28Å; L196-I200 WeakPolarHBondContact O-CG1 3.48Å; L196-I200 PolarHBondContact O-N 3.42Å; L196-L288 HydrophobicContact CB-CD2 4.39Å; L196-L288 HydrophobicContact CD2-CD1 4.32Å; L196-L288 HydrophobicContact CD2-CD2 3.99Å; L196-L288 HydrophobicContact CG-CD2 4.16Å; L196-V394 HydrophobicContact CD2-CB 4.39Å; L196-V394 HydrophobicContact CD2-CG1 4.24Å; L196-V394 HydrophobicContact CD2-CG2 4.21Å; L196-L401 HydrophobicContact CB-CD1 3.89Å; L196-L401 HydrophobicContact CB-CD2 4.14Å; L196-L401 HydrophobicContact CD2-CD1 3.68Å; L196-L401 HydrophobicContact CG-CD1 4.44Å; L196-F526 HydrophobicContact CB-CE2 3.94Å; L196-F526 HydrophobicContact CB-CZ 4.03Å; L196-F526 HydrophobicContact CD1-CE2 4.41Å; L196-F526 HydrophobicContact CD1-CZ 4.16Å
197	M	97.9	Very high	97.1	Very high	57 Å²	57	46.6 Å²	46.6	28%	0.281	23%	0.234	S	C	.	.	H	α-helix	trans	-63	-42	175.8	-69.5	-179.2	67.7	0	0	112.2	A193 Q194 L199 I200 T201 L288	A193-M197 HydrophobicContact CB-CG 4.3Å; A193-M197 HydrophobicContact CB-SD 4.02Å; A193-M197 WeakPolarHBondContact O-CG 3.08Å; A193-M197 PolarHBondContact O-N 3.42Å; Q194-M197 PolarHBondContact O-N 3.22Å; M197-L199 VanDerWaalsContact C-N 3.3Å; M197-L199 PolarHBondContact O-N 3.49Å; M197-I200 PolarHBondContact O-N 3.43Å; M197-T201 WeakPolarHBondContact O-CB 3.02Å; M197-T201 PolarHBondContact O-N 2.83Å; M197-T201 PolarHBondContact O-OG1 2.63Å; M197-L288 HydrophobicContact CG-CD2 3.9Å
198	D	97.5	Very high	97	Very high	89 Å²	89	42.8 Å²	42.8	48%	0.476	22%	0.22	S	C	.	.	H	α-helix	trans	-61.6	-42.1	175.2	-71.8	-18.7	0	0	0	110.8	Q194 T201 K202	Q194-D198 PolarHBondContact NE2-OD1 3.43Å; Q194-D198 WeakPolarHBondContact O-CB 3.38Å; Q194-D198 VanDerWaalsContact O-CG 3.29Å; Q194-D198 PolarHBondContact O-N 2.66Å; D198-T201 PolarHBondContact O-N 3.47Å; D198-K202 WeakPolarHBondContact O-CB 3.28Å; D198-K202 PolarHBondContact O-N 2.98Å
199	L	97.1	Very high	96.9	Very high	15 Å²	15	45 Å²	45	8%	0.079	24%	0.235	C	C	.	.	H	α-helix	trans	-64.2	-46.7	177	179.6	58.8	0	0	0	112.2	P195 L196 M197 T201 K202 I203 Y228 L393 F526 I530	P195-L199 WeakPolarHBondContact O-CB 3.5Å; P195-L199 PolarHBondContact O-N 3.38Å; L196-L199 HydrophobicContact CD1-CD2 4.4Å; L196-L199 PolarHBondContact O-N 3.31Å; M197-L199 VanDerWaalsContact C-N 3.3Å; M197-L199 PolarHBondContact O-N 3.49Å; L199-T201 VanDerWaalsContact C-N 3.3Å; L199-T201 PolarHBondContact O-N 2.57Å; L199-K202 WeakPolarHBondContact O-CB 3.45Å; L199-K202 PolarHBondContact O-N 2.86Å; L199-I203 HydrophobicContact CD1-CD1 3.85Å; L199-I203 HydrophobicContact CD1-CG1 4.3Å; L199-I203 HydrophobicContact CG-CD1 3.98Å; L199-I203 WeakPolarHBondContact O-CG1 3.34Å; L199-I203 PolarHBondContact O-N 3.29Å; L199-I203 VanDerWaalsContact O-N 3.12Å; L199-Y228 HydrophobicContact CD1-CE1 3.99Å; L199-Y228 HydrophobicContact CD1-CE2 3.84Å; L199-Y228 VanDerWaalsContact CD1-CZ 3.45Å; L199-Y228 VanDerWaalsContact CD1-OH 3.28Å; L199-Y228 WeakPolarHBondContact CD1-OH 3.28Å; L199-Y228 HydrophobicContact CD2-CE1 4.43Å; L199-L393 HydrophobicContact CD2-CD1 4.22Å; L199-L393 HydrophobicContact CD2-CD2 4.22Å; L199-L393 HydrophobicContact CD2-CG 4.49Å; L199-L393 HydrophobicContact CG-CD2 4.22Å; L199-F526 HydrophobicContact CD2-CE1 4.45Å; L199-F526 HydrophobicContact CD2-CZ 4.18Å; L199-I530 HydrophobicContact CD2-CD1 4.03Å
200	I	97.6	Very high	96.6	Very high	5 Å²	5	45.7 Å²	45.7	3%	0.026	24%	0.238	C	C	.	.	H	α-helix	trans	-58.5	-45.4	176.8	-70.3	168.2	0	0	0	110.3	L196 M197 K202 I203 G204 G205 W206 L288 I390 V394	L196-I200 HydrophobicContact CD1-CD1 4.33Å; L196-I200 HydrophobicContact CD1-CG1 4.29Å; L196-I200 HydrophobicContact CG-CD1 4.02Å; L196-I200 HydrophobicContact CG-CG1 4.45Å; L196-I200 VanDerWaalsContact O-CG1 3.28Å; L196-I200 WeakPolarHBondContact O-CG1 3.48Å; L196-I200 PolarHBondContact O-N 3.42Å; M197-I200 PolarHBondContact O-N 3.43Å; I200-K202 VanDerWaalsContact C-N 3.35Å; I200-K202 PolarHBondContact O-N 2.97Å; I200-I203 PolarHBondContact O-N 2.89Å; I200-G204 PolarHBondContact O-N 3.39Å; I200-G205 PolarHBondContact O-N 3.4Å; I200-W206 HydrophobicContact CD1-CZ2 4.33Å; I200-W206 HydrophobicContact CG2-CG 4.23Å; I200-L288 HydrophobicContact CD1-CD1 4.31Å; I200-I390 HydrophobicContact CD1-CG2 4.12Å; I200-I390 HydrophobicContact CG1-CG2 3.92Å; I200-I390 HydrophobicContact CG2-CG2 3.99Å; I200-V394 HydrophobicContact CD1-CG2 3.84Å
201	T	96.2	Very high	96.3	Very high	100 Å²	100	46 Å²	46	61%	0.613	25%	0.252	S	S	*	.	H	α-helix	trans	-61.6	-43.6	178.1	-55.8	0	0	0	0	111.3	M197 D198 L199 I203 G204	M197-T201 WeakPolarHBondContact O-CB 3.02Å; M197-T201 PolarHBondContact O-N 2.83Å; M197-T201 PolarHBondContact O-OG1 2.63Å; D198-T201 PolarHBondContact O-N 3.47Å; L199-T201 VanDerWaalsContact C-N 3.3Å; L199-T201 PolarHBondContact O-N 2.57Å; T201-I203 VanDerWaalsContact C-N 3.28Å; T201-I203 PolarHBondContact O-N 3.27Å; T201-G204 PolarHBondContact O-N 3.11Å
202	K	95.6	Very high	96.1	Very high	164 Å²	164	44.6 Å²	44.6	71%	0.713	24%	0.244	S	C	*	.	H	α-helix	trans	-60.2	-35.7	178.3	-178.3	-176.6	176.7	-172.7	0	112.9	D198 L199 I200	D198-K202 WeakPolarHBondContact O-CB 3.28Å; D198-K202 PolarHBondContact O-N 2.98Å; L199-K202 WeakPolarHBondContact O-CB 3.45Å; L199-K202 PolarHBondContact O-N 2.86Å; I200-K202 VanDerWaalsContact C-N 3.35Å; I200-K202 PolarHBondContact O-N 2.97Å
203	I	95.6	Very high	95.9	Very high	10 Å²	10	51.3 Å²	51.3	5%	0.051	28%	0.278	C	S	.	.	H	α-helix	trans	-79.6	-29	-177.1	-66.3	166.7	0	0	0	111.9	L199 I200 T201 V220 I223 I224 Y228 I390 L393	L199-I203 HydrophobicContact CD1-CD1 3.85Å; L199-I203 HydrophobicContact CD1-CG1 4.3Å; L199-I203 HydrophobicContact CG-CD1 3.98Å; L199-I203 WeakPolarHBondContact O-CG1 3.34Å; L199-I203 PolarHBondContact O-N 3.29Å; L199-I203 VanDerWaalsContact O-N 3.12Å; I200-I203 PolarHBondContact O-N 2.89Å; T201-I203 VanDerWaalsContact C-N 3.28Å; T201-I203 PolarHBondContact O-N 3.27Å; I203-V220 HydrophobicContact CG2-CB 4.41Å; I203-V220 HydrophobicContact CG2-CG1 3.88Å; I203-V220 HydrophobicContact CG2-CG2 4.25Å; I203-I223 HydrophobicContact CD1-CG2 4.29Å; I203-I223 HydrophobicContact CG1-CG2 3.84Å; I203-I223 HydrophobicContact CG2-CG2 4.4Å; I203-I224 HydrophobicContact CD1-CG2 4.11Å; I203-I224 HydrophobicContact CG2-CG2 4.24Å; I203-Y228 HydrophobicContact CD1-CD2 4.11Å; I203-Y228 HydrophobicContact CD1-CE2 3.82Å; I203-Y228 HydrophobicContact CG1-CE2 4.31Å; I203-I390 HydrophobicContact CG2-CD1 4.04Å; I203-L393 HydrophobicContact CD1-CD2 3.28Å
204	G	93.8	Very high	95.7	Very high	11 Å²	11	55.3 Å²	55.3	11%	0.113	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	148.2	-1.5	177.3	0	0	0	0	0	115.2	I200 T201 W212 K214	I200-G204 PolarHBondContact O-N 3.39Å; T201-G204 PolarHBondContact O-N 3.11Å; G204-W212 PolarHBondContact O-NE1 3.03Å; G204-K214 PolarHBondContact O-NZ 2.97Å
205	G	96.2	Very high	95.3	Very high	1 Å²	1	59 Å²	59	1%	0.01	31%	0.311	C	S	.	.			trans	75.3	-177.2	-176.5	0	0	0	0	0	113.1	I200 W212 N386	I200-G205 PolarHBondContact O-N 3.4Å; G205-W212 PolarHBondContact O-NE1 2.92Å; G205-N386 PolarHBondContact O-ND2 3.35Å
206	W	97.2	Very high	95.2	Very high	1 Å²	1	59.3 Å²	59.3	0%	0.004	31%	0.312	C	S	.	.			trans	-156	162.6	179.5	66.2	-19.5	0	0	0	110.9	I200 I208 T209 L288 M299 I390 V394	I200-W206 HydrophobicContact CD1-CZ2 4.33Å; I200-W206 HydrophobicContact CG2-CG 4.23Å; W206-I208 HydrophobicContact CD2-CB 3.79Å; W206-I208 HydrophobicContact CD2-CG1 3.67Å; W206-I208 HydrophobicContact CE3-CB 4.31Å; W206-I208 HydrophobicContact CE3-CG1 3.67Å; W206-I208 HydrophobicContact CG-CB 4.15Å; W206-I208 HydrophobicContact CG-CG1 4.3Å; W206-I208 HydrophobicContact CH2-CB 4.38Å; W206-I208 HydrophobicContact CH2-CG1 4Å; W206-I208 HydrophobicContact CH2-CG2 4.49Å; W206-I208 HydrophobicContact CZ2-CB 3.85Å; W206-I208 HydrophobicContact CZ2-CG1 3.98Å; W206-I208 HydrophobicContact CZ2-CG2 3.92Å; W206-I208 HydrophobicContact CZ3-CG1 3.85Å; W206-I208 PolarHBondContact O-N 2.97Å; W206-I208 VanDerWaalsContact O-N 3.09Å; W206-T209 PolarHBondContact O-N 2.94Å; W206-T209 PolarHBondContact O-OG1 3.15Å; W206-L288 HydrophobicContact CH2-CD1 4.05Å; W206-L288 HydrophobicContact CZ2-CB 4.18Å; W206-L288 HydrophobicContact CZ2-CD1 3.84Å; W206-M299 HydrophobicContact CH2-CE 4Å; W206-M299 HydrophobicContact CZ3-CE 4.18Å; W206-I390 HydrophobicContact CB-CB 4.17Å; W206-I390 HydrophobicContact CB-CG1 4.12Å; W206-I390 HydrophobicContact CB-CG2 4.13Å; W206-I390 HydrophobicContact CD2-CB 4.2Å; W206-I390 HydrophobicContact CD2-CG2 3.52Å; W206-I390 HydrophobicContact CE3-CB 3.77Å; W206-I390 HydrophobicContact CE3-CG2 3.38Å; W206-I390 HydrophobicContact CG-CB 4.42Å; W206-I390 HydrophobicContact CG-CG2 3.89Å; W206-I390 HydrophobicContact CZ3-CB 4.5Å; W206-I390 HydrophobicContact CZ3-CG2 3.95Å; W206-V394 HydrophobicContact CH2-CG2 3.87Å; W206-V394 HydrophobicContact CZ2-CG2 4.41Å; W206-V394 HydrophobicContact CZ3-CG2 4.24Å
207	N	96.7	Very high	95.1	Very high	50 Å²	50	60.9 Å²	60.9	27%	0.267	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-5.9	-170	-160.9	34.8	0	0	0	113.9	E210 W212 Q298 N387	N207-E210 CarbonylContact C-O 3.6Å; N207-E210 WeakPolarHBondContact CA-O 3.39Å; N207-E210 PolarHBondContact OD1-O 3.07Å; N207-W212 HydrophobicContact CB-CB 3.86Å; N207-W212 PolarHBondContact OD1-N 2.97Å; N207-Q298 VanDerWaalsContact C-OE1 3.24Å; N207-Q298 VanDerWaalsContact CB-OE1 3.27Å; N207-Q298 PolarHBondContact ND2-OE1 3.33Å; N207-Q298 PolarHBondContact O-NE2 2.87Å; N207-Q298 PolarHBondContact O-OE1 2.72Å; N207-N387 PolarHBondContact N-OD1 3.27Å
208	I	96.4	Very high	95.1	Very high	5 Å²	5	59.7 Å²	59.7	3%	0.026	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-41.2	176.1	-60.1	-62.3	0	0	0	111.1	W206 G290 Q298 M299	W206-I208 HydrophobicContact CD2-CB 3.79Å; W206-I208 HydrophobicContact CD2-CG1 3.67Å; W206-I208 HydrophobicContact CE3-CB 4.31Å; W206-I208 HydrophobicContact CE3-CG1 3.67Å; W206-I208 HydrophobicContact CG-CB 4.15Å; W206-I208 HydrophobicContact CG-CG1 4.3Å; W206-I208 HydrophobicContact CH2-CB 4.38Å; W206-I208 HydrophobicContact CH2-CG1 4Å; W206-I208 HydrophobicContact CH2-CG2 4.49Å; W206-I208 HydrophobicContact CZ2-CB 3.85Å; W206-I208 HydrophobicContact CZ2-CG1 3.98Å; W206-I208 HydrophobicContact CZ2-CG2 3.92Å; W206-I208 HydrophobicContact CZ3-CG1 3.85Å; W206-I208 PolarHBondContact O-N 2.97Å; W206-I208 VanDerWaalsContact O-N 3.09Å; I208-G290 WeakPolarHBondContact O-CA 3.49Å; I208-Q298 HydrophobicContact CD1-CB 3.53Å; I208-Q298 HydrophobicContact CD1-CG 4.24Å; I208-M299 HydrophobicContact CD1-CE 3.69Å; I208-M299 HydrophobicContact CD1-SD 4.41Å; I208-M299 HydrophobicContact CG1-CE 3.92Å
209	T	94.5	Very high	95.1	Very high	60 Å²	60	59.8 Å²	59.8	37%	0.368	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99	-29	-173.9	49.5	0	0	0	0	114	W206 L288	W206-T209 PolarHBondContact O-N 2.94Å; W206-T209 PolarHBondContact O-OG1 3.15Å; T209-L288 WeakPolarHBondContact CG2-O 3.43Å
210	E	91.3	Very high	95.1	Very high	100 Å²	100	59.1 Å²	59.1	47%	0.467	31%	0.31	S	S	.	.	S	Bend	trans	-150.8	163.3	-178.2	58.9	178.5	-172.8	0	0	110	N207 W212	N207-E210 CarbonylContact C-O 3.6Å; N207-E210 WeakPolarHBondContact CA-O 3.39Å; N207-E210 PolarHBondContact OD1-O 3.07Å; E210-W212 PolarHBondContact O-N 2.76Å
211	S	91.5	Very high	95.1	Very high	121 Å²	121	58.9 Å²	58.9	85%	0.846	31%	0.309	S	S	*	.			trans	-62.2	126.4	172.2	-62.7	0	0	0	0	110.4
212	W	94.3	Very high	95.2	Very high	15 Å²	15	55 Å²	55	6%	0.057	28%	0.284	C	S	.	.			trans	-122	123.4	-176.9	-169.3	101.7	0	0	0	111.1	G204 G205 N207 E210 K214 N216 H382 S383 N386	G204-W212 PolarHBondContact O-NE1 3.03Å; G205-W212 PolarHBondContact O-NE1 2.92Å; N207-W212 HydrophobicContact CB-CB 3.86Å; N207-W212 PolarHBondContact OD1-N 2.97Å; E210-W212 PolarHBondContact O-N 2.76Å; W212-K214 HydrophobicContact CH2-CB 4.25Å; W212-K214 WeakPolarHBondContact CH2-O 3.29Å; W212-K214 HydrophobicContact CZ2-CB 3.88Å; W212-K214 WeakPolarHBondContact CZ3-O 3.48Å; W212-N216 WeakPolarHBondContact CZ2-OD1 3.46Å; W212-H382 HydrophobicContact CZ3-CB 4.12Å; W212-H382 WeakPolarHBondContact CZ3-O 3.41Å; W212-S383 PolarHBondContact O-OG 3.16Å; W212-N386 HydrophobicContact CD2-CB 4.27Å; W212-N386 HydrophobicContact CE3-CB 4.28Å; W212-N386 HydrophobicContact CH2-CB 3.35Å; W212-N386 HydrophobicContact CZ2-CB 3.29Å; W212-N386 WeakPolarHBondContact CZ2-OD1 3.38Å; W212-N386 HydrophobicContact CZ3-CB 3.88Å; W212-N386 PolarHBondContact NE1-ND2 3.29Å; W212-N386 VanDerWaalsContact NE1-ND2 3.2Å
213	D	92.1	Very high	95.3	Very high	149 Å²	149	50.3 Å²	50.3	80%	0.797	27%	0.266	S	S	*	.			trans	-152.7	70.8	177.7	-173.9	20.7	0	0	0	108.9
214	K	93.8	Very high	95.3	Very high	91 Å²	91	49.9 Å²	49.9	40%	0.396	26%	0.264	S	S	.	.			trans	-119.3	141.8	-179	-63.6	176.5	-173.8	166.9	0	109.6	G204 W212 N216	G204-K214 PolarHBondContact O-NZ 2.97Å; W212-K214 HydrophobicContact CH2-CB 4.25Å; W212-K214 WeakPolarHBondContact CH2-O 3.29Å; W212-K214 HydrophobicContact CZ2-CB 3.88Å; W212-K214 WeakPolarHBondContact CZ3-O 3.48Å; K214-N216 PolarHBondContact O-N 3.16Å
215	E	90.4	Very high	95.4	Very high	173 Å²	173	49.4 Å²	49.4	81%	0.808	26%	0.259	S	S	*	.			trans	-95.9	64.4	174.1	-65.1	-175.1	169.8	0	0	110.5
216	N	95	Very high	95.3	Very high	28 Å²	28	49.6 Å²	49.6	15%	0.15	26%	0.261	C	S	.	.			trans	-126.8	27.3	-175.7	68.1	-22.9	0	0	0	113.2	W212 K214 L218 D219 V220	W212-N216 WeakPolarHBondContact CZ2-OD1 3.46Å; K214-N216 PolarHBondContact O-N 3.16Å; N216-L218 PolarHBondContact O-N 3.22Å; N216-D219 PolarHBondContact O-N 3.21Å; N216-V220 VanDerWaalsContact ND2-CG2 3.34Å; N216-V220 WeakPolarHBondContact ND2-CG2 3.28Å; N216-V220 WeakPolarHBondContact O-CG2 3.35Å; N216-V220 PolarHBondContact O-N 3.12Å
217	F	97.2	Very high	95.1	Very high	34 Å²	34	51.6 Å²	51.6	15%	0.149	27%	0.274	C	S	.	.	H	α-helix	trans	-50.6	-53.4	-175.1	170.5	-97.5	0	0	0	113	D219 V220 L221 F233 I341 I377 L385 M389	F217-D219 PolarHBondContact O-N 3.48Å; F217-V220 PolarHBondContact O-N 3.22Å; F217-L221 HydrophobicContact CE1-CD2 4.17Å; F217-L221 HydrophobicContact CZ-CD2 4.18Å; F217-L221 WeakPolarHBondContact O-CB 3.35Å; F217-L221 PolarHBondContact O-N 2.92Å; F217-F233 AromaticContact CE2-CE2 3.8Å; F217-F233 HydrophobicContact CE2-CE2 3.8Å; F217-F233 AromaticContact CE2-CZ 3.91Å; F217-F233 HydrophobicContact CE2-CZ 3.91Å; F217-F233 AromaticContact CZ-CE2 3.94Å; F217-F233 HydrophobicContact CZ-CE2 3.94Å; F217-F233 HydrophobicContact CZ-CZ 4.35Å; F217-I341 HydrophobicContact CE1-CD1 3.59Å; F217-I341 HydrophobicContact CZ-CD1 3.94Å; F217-I377 HydrophobicContact CE1-CG2 4.16Å; F217-I377 HydrophobicContact CE2-CG2 4.28Å; F217-I377 HydrophobicContact CZ-CD1 4.3Å; F217-I377 HydrophobicContact CZ-CG2 3.78Å; F217-L385 HydrophobicContact CD2-CB 4.03Å; F217-L385 HydrophobicContact CD2-CD1 4.04Å; F217-L385 HydrophobicContact CE2-CB 4.14Å; F217-L385 HydrophobicContact CE2-CD1 4.06Å; F217-L385 HydrophobicContact CE2-CD2 4.46Å; F217-L385 HydrophobicContact CE2-CG 4.46Å; F217-M389 HydrophobicContact CD2-CE 3.5Å; F217-M389 VanDerWaalsContact CD2-CE 3.5Å; F217-M389 HydrophobicContact CD2-SD 4.05Å; F217-M389 HydrophobicContact CE2-CE 3.92Å; F217-M389 HydrophobicContact CE2-SD 3.88Å; F217-M389 HydrophobicContact CG-CE 4.35Å
218	L	97.1	Very high	95	Very high	31 Å²	31	50.3 Å²	50.3	16%	0.162	27%	0.265	C	S	.	.	H	α-helix	trans	-66.7	-37.8	-176.9	-177.6	62.1	0	0	0	112.1	N216 L221 K222 I341 E342	N216-L218 PolarHBondContact O-N 3.22Å; L218-L221 PolarHBondContact O-N 3.05Å; L218-K222 HydrophobicContact CG-CD 4.37Å; L218-K222 VanDerWaalsContact O-CG 3.28Å; L218-K222 WeakPolarHBondContact O-CG 3.26Å; L218-K222 PolarHBondContact O-N 2.73Å; L218-I341 HydrophobicContact CD1-CG2 4.2Å; L218-E342 HydrophobicContact CD2-CB 3.91Å; L218-E342 HydrophobicContact CD2-CG 4.23Å
219	D	97.2	Very high	94.9	Very high	92 Å²	92	50.5 Å²	50.5	49%	0.492	27%	0.266	S	S	.	.	H	α-helix	trans	-66.1	-45.6	178.2	-67.2	-32.5	0	0	0	111.4	N216 F217 L221 K222 I223	N216-D219 PolarHBondContact O-N 3.21Å; F217-D219 PolarHBondContact O-N 3.48Å; D219-L221 VanDerWaalsContact C-N 3.34Å; D219-L221 PolarHBondContact O-N 2.91Å; D219-K222 PolarHBondContact O-N 3.05Å; D219-I223 WeakPolarHBondContact O-CD1 3.46Å; D219-I223 VanDerWaalsContact O-CG1 3.25Å; D219-I223 WeakPolarHBondContact O-CG1 3.44Å; D219-I223 PolarHBondContact O-N 2.92Å
220	V	97.8	Very high	95	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-60.2	-46.7	174.5	174.6	0	0	0	0	110.1	I203 N216 F217 K222 I223 I224 M389 I390	I203-V220 HydrophobicContact CG2-CB 4.41Å; I203-V220 HydrophobicContact CG2-CG1 3.88Å; I203-V220 HydrophobicContact CG2-CG2 4.25Å; N216-V220 VanDerWaalsContact ND2-CG2 3.34Å; N216-V220 WeakPolarHBondContact ND2-CG2 3.28Å; N216-V220 WeakPolarHBondContact O-CG2 3.35Å; N216-V220 PolarHBondContact O-N 3.12Å; F217-V220 PolarHBondContact O-N 3.22Å; V220-K222 PolarHBondContact O-N 3.46Å; V220-I223 PolarHBondContact O-N 3.49Å; V220-I224 HydrophobicContact CG1-CD1 4.39Å; V220-I224 HydrophobicContact CG1-CG2 4.35Å; V220-I224 WeakPolarHBondContact O-CG1 3.44Å; V220-I224 PolarHBondContact O-N 3.31Å; V220-M389 HydrophobicContact CB-CE 3.94Å; V220-M389 HydrophobicContact CG1-CB 4.3Å; V220-M389 HydrophobicContact CG1-CE 3.8Å; V220-M389 HydrophobicContact CG1-SD 4.16Å; V220-I390 HydrophobicContact CG1-CD1 4.35Å
221	L	98.1	Very high	95.1	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-58.4	-44.9	179.8	-177.1	61.3	0	0	0	112.1	F217 L218 D219 I224 S225 P232 F233 F234 I341 Y346 M389	F217-L221 HydrophobicContact CE1-CD2 4.17Å; F217-L221 HydrophobicContact CZ-CD2 4.18Å; F217-L221 WeakPolarHBondContact O-CB 3.35Å; F217-L221 PolarHBondContact O-N 2.92Å; L218-L221 PolarHBondContact O-N 3.05Å; D219-L221 VanDerWaalsContact C-N 3.34Å; D219-L221 PolarHBondContact O-N 2.91Å; L221-I224 WeakPolarHBondContact O-CG1 3.18Å; L221-S225 WeakPolarHBondContact O-CB 3.45Å; L221-S225 PolarHBondContact O-N 3.07Å; L221-S225 PolarHBondContact O-OG 3.31Å; L221-P232 HydrophobicContact CD1-CG 3.66Å; L221-F233 HydrophobicContact CD1-CD2 4.17Å; L221-F233 HydrophobicContact CD1-CE2 4.25Å; L221-F234 HydrophobicContact CD2-CZ 4.17Å; L221-I341 HydrophobicContact CD2-CD1 3.71Å; L221-Y346 HydrophobicContact CD2-CD2 4.25Å; L221-Y346 HydrophobicContact CD2-CE2 4.13Å; L221-Y346 HydrophobicContact CG-CD2 4.2Å; L221-Y346 HydrophobicContact CG-CE2 3.76Å; L221-M389 HydrophobicContact CB-SD 3.87Å; L221-M389 HydrophobicContact CD1-SD 4.1Å
222	K	97.5	Very high	95.4	Very high	19 Å²	19	38.4 Å²	38.4	8%	0.083	19%	0.192	C	C	.	.	H	α-helix	trans	-61	-46.3	175.7	-73.9	169.4	-178.2	169.3	0	112	L218 D219 V220 G226 D345 Y346	L218-K222 HydrophobicContact CG-CD 4.37Å; L218-K222 VanDerWaalsContact O-CG 3.28Å; L218-K222 WeakPolarHBondContact O-CG 3.26Å; L218-K222 PolarHBondContact O-N 2.73Å; D219-K222 PolarHBondContact O-N 3.05Å; V220-K222 PolarHBondContact O-N 3.46Å; K222-G226 PolarHBondContact O-N 2.63Å; K222-D345 WeakPolarHBondContact CE-OD1 3.48Å; K222-D345 WeakPolarHBondContact CE-OD2 3.44Å; K222-D345 IonicContact NZ-OD1 3.47Å; K222-D345 PolarHBondContact NZ-OD1 3.21Å; K222-D345 IonicContact NZ-OD2 3.27Å; K222-D345 PolarHBondContact NZ-OD2 2.88Å; K222-Y346 HydrophobicContact CG-CD2 3.95Å
223	I	96.8	Very high	95.6	Very high	66 Å²	66	37.7 Å²	37.7	34%	0.338	19%	0.189	S	C	.	.	H	α-helix	trans	-65.8	-42.7	-177.1	-67.7	165.2	0	0	0	111.1	I203 D219 V220 P227 Y228	I203-I223 HydrophobicContact CD1-CG2 4.29Å; I203-I223 HydrophobicContact CG1-CG2 3.84Å; I203-I223 HydrophobicContact CG2-CG2 4.4Å; D219-I223 WeakPolarHBondContact O-CD1 3.46Å; D219-I223 VanDerWaalsContact O-CG1 3.25Å; D219-I223 WeakPolarHBondContact O-CG1 3.44Å; D219-I223 PolarHBondContact O-N 2.92Å; V220-I223 PolarHBondContact O-N 3.49Å; I223-P227 WeakPolarHBondContact O-CD 3.49Å; I223-P227 WeakPolarHBondContact O-CG 3.36Å; I223-Y228 HydrophobicContact CG2-CD2 4.1Å; I223-Y228 HydrophobicContact CG2-CE2 3.63Å; I223-Y228 WeakPolarHBondContact O-CD2 3.28Å
224	I	96.8	Very high	95.9	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-76.1	-33	-179.5	69.4	-174.5	0	0	0	112.8	I203 V220 L221 Y228 R229 A230 P232 M389 L393	I203-I224 HydrophobicContact CD1-CG2 4.11Å; I203-I224 HydrophobicContact CG2-CG2 4.24Å; V220-I224 HydrophobicContact CG1-CD1 4.39Å; V220-I224 HydrophobicContact CG1-CG2 4.35Å; V220-I224 WeakPolarHBondContact O-CG1 3.44Å; V220-I224 PolarHBondContact O-N 3.31Å; L221-I224 WeakPolarHBondContact O-CG1 3.18Å; I224-Y228 CarbonylContact O-C 3.14Å; I224-Y228 WeakPolarHBondContact O-CB 3.48Å; I224-R229 PolarHBondContact O-N 2.91Å; I224-R229 VanDerWaalsContact O-N 3.16Å; I224-A230 HydrophobicContact CB-CB 4.14Å; I224-A230 PolarHBondContact O-N 3.46Å; I224-P232 HydrophobicContact CD1-CG 3.71Å; I224-P232 HydrophobicContact CG1-CG 4.43Å; I224-M389 HydrophobicContact CD1-CB 3.58Å; I224-M389 HydrophobicContact CD1-CG 3.93Å; I224-M389 HydrophobicContact CD1-SD 4.14Å; I224-L393 HydrophobicContact CG2-CD2 4.35Å
225	S	96.3	Very high	96.1	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.014	14%	0.137	C	C	.	.	H	α-helix	trans	-82.2	-35.2	-175.8	-49.7	0	0	0	0	113.8	L221 A230 Y346	L221-S225 WeakPolarHBondContact O-CB 3.45Å; L221-S225 PolarHBondContact O-N 3.07Å; L221-S225 PolarHBondContact O-OG 3.31Å; S225-A230 WeakPolarHBondContact CA-O 3.34Å; S225-A230 PolarHBondContact OG-O 2.98Å; S225-Y346 WeakPolarHBondContact CB-OH 3.44Å; S225-Y346 PolarHBondContact OG-OH 3.22Å
226	G	94.1	Very high	96.5	Very high	5 Å²	5	19 Å²	19	5%	0.052	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-89.5	177.3	0	0	0	0	0	111.8	K222 Y228 R229 A537	K222-G226 PolarHBondContact O-N 2.63Å; G226-Y228 VanDerWaalsContact C-N 3.32Å; G226-Y228 PolarHBondContact O-N 2.84Å; G226-R229 PolarHBondContact O-N 2.82Å; G226-A537 VanDerWaalsContact O-CB 3.27Å; G226-A537 WeakPolarHBondContact O-CB 3.45Å
227	P	92.6	Very high	96.5	Very high	42 Å²	42	18.7 Å²	18.7	27%	0.273	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-24.4	-171.9	26.1	-35.6	0	0	0	114.6	I223 Y533 N534	I223-P227 WeakPolarHBondContact O-CD 3.49Å; I223-P227 WeakPolarHBondContact O-CG 3.36Å; P227-Y533 CarbonylContact O-C 3.49Å; P227-Y533 VanDerWaalsContact O-C 3.27Å; P227-N534 HydrophobicContact CB-CB 4.22Å; P227-N534 VanDerWaalsContact O-CA 3.22Å; P227-N534 WeakPolarHBondContact O-CA 3.27Å; P227-N534 WeakPolarHBondContact O-CB 3.22Å; P227-N534 PolarHBondContact O-N 2.63Å
228	Y	94.9	Very high	96.5	Very high	23 Å²	23	17.1 Å²	17.1	9%	0.09	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103	-3.9	-177.6	-53.9	-54.6	0	0	0	114.2	L199 I203 I223 I224 G226 A230 L393 I530	L199-Y228 HydrophobicContact CD1-CE1 3.99Å; L199-Y228 HydrophobicContact CD1-CE2 3.84Å; L199-Y228 VanDerWaalsContact CD1-CZ 3.45Å; L199-Y228 VanDerWaalsContact CD1-OH 3.28Å; L199-Y228 WeakPolarHBondContact CD1-OH 3.28Å; L199-Y228 HydrophobicContact CD2-CE1 4.43Å; I203-Y228 HydrophobicContact CD1-CD2 4.11Å; I203-Y228 HydrophobicContact CD1-CE2 3.82Å; I203-Y228 HydrophobicContact CG1-CE2 4.31Å; I223-Y228 HydrophobicContact CG2-CD2 4.1Å; I223-Y228 HydrophobicContact CG2-CE2 3.63Å; I223-Y228 WeakPolarHBondContact O-CD2 3.28Å; I224-Y228 CarbonylContact O-C 3.14Å; I224-Y228 WeakPolarHBondContact O-CB 3.48Å; G226-Y228 VanDerWaalsContact C-N 3.32Å; G226-Y228 PolarHBondContact O-N 2.84Å; Y228-A230 PolarHBondContact O-N 2.65Å; Y228-L393 HydrophobicContact CD2-CD1 4.27Å; Y228-L393 HydrophobicContact CG-CD1 4.08Å; Y228-I530 HydrophobicContact CD1-CD1 4.25Å; Y228-I530 HydrophobicContact CD1-CG2 3.82Å; Y228-I530 HydrophobicContact CE1-CG2 3.46Å; Y228-I530 VanDerWaalsContact CE1-CG2 3.46Å
229	R	94.1	Very high	96.4	Very high	10 Å²	10	16.7 Å²	16.7	4%	0.038	9%	0.092	C	C	.	.			trans	50.8	30.7	177.2	-60	-74.4	-71.4	145.3	-1	113.3	D7 I224 G226 V236 K396 Y533 A537	D7-R229 PolarHBondContact O-NH2 2.83Å; I224-R229 PolarHBondContact O-N 2.91Å; I224-R229 VanDerWaalsContact O-N 3.16Å; G226-R229 PolarHBondContact O-N 2.82Å; R229-V236 PolarHBondContact NH1-O 3.44Å; R229-K396 WeakPolarHBondContact O-CE 3.48Å; R229-K396 PolarHBondContact O-NZ 3.29Å; R229-Y533 WeakPolarHBondContact CG-O 3.01Å; R229-A537 HydrophobicContact CG-CB 4.22Å
230	A	95.2	Very high	96.4	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.072	C	C	.	.			trans	-87.8	129.2	169.7	0	0	0	0	0	108.4	I224 S225 Y228 P232 K396	I224-A230 HydrophobicContact CB-CB 4.14Å; I224-A230 PolarHBondContact O-N 3.46Å; S225-A230 WeakPolarHBondContact CA-O 3.34Å; S225-A230 PolarHBondContact OG-O 2.98Å; Y228-A230 PolarHBondContact O-N 2.65Å; A230-P232 WeakPolarHBondContact O-CD 3.36Å; A230-K396 HydrophobicContact CB-CG 4.31Å
231	Q	95.3	Very high	96.4	Very high	26 Å²	26	13.1 Å²	13.1	12%	0.121	7%	0.074	C	C	.	.			trans	-122.9	68.6	-167.6	-67.7	166	-14.7	0	0	110.8	D7 T235 S255	D7-Q231 VanDerWaalsContact OD2-CD 3.27Å; D7-Q231 PolarHBondContact OD2-NE2 3.46Å; D7-Q231 PolarHBondContact OD2-OE1 3.03Å; Q231-T235 PolarHBondContact NE2-OG1 3.42Å; Q231-T235 PolarHBondContact OE1-OG1 2.89Å; Q231-T235 VanDerWaalsContact OE1-OG1 3.07Å; Q231-S255 PolarHBondContact O-OG 3.05Å
232	P	97	Very high	96.4	Very high	1 Å²	1	13.3 Å²	13.3	1%	0.006	8%	0.075	C	C	.	.	S	Bend	trans	-67.1	146.8	173	31.6	-34.3	0	0	0	109.4	L221 I224 A230 F234 Y388 M389 N392	L221-P232 HydrophobicContact CD1-CG 3.66Å; I224-P232 HydrophobicContact CD1-CG 3.71Å; I224-P232 HydrophobicContact CG1-CG 4.43Å; A230-P232 WeakPolarHBondContact O-CD 3.36Å; P232-F234 PolarHBondContact O-N 2.96Å; P232-Y388 HydrophobicContact CB-CD1 4.16Å; P232-Y388 HydrophobicContact CB-CE1 3.55Å; P232-M389 HydrophobicContact CB-CG 4.21Å; P232-M389 HydrophobicContact CG-CG 3.95Å; P232-N392 HydrophobicContact CB-CB 4.31Å
233	F	98.5	Very high	96.5	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.09	C	C	.	.	S	Bend	trans	67.9	-46	177.9	-37.7	-71.2	0	0	0	116.3	F217 L221 F305 Y369 V373 I377 L385 Y388 M389	F217-F233 AromaticContact CE2-CE2 3.8Å; F217-F233 HydrophobicContact CE2-CE2 3.8Å; F217-F233 AromaticContact CE2-CZ 3.91Å; F217-F233 HydrophobicContact CE2-CZ 3.91Å; F217-F233 AromaticContact CZ-CE2 3.94Å; F217-F233 HydrophobicContact CZ-CE2 3.94Å; F217-F233 HydrophobicContact CZ-CZ 4.35Å; L221-F233 HydrophobicContact CD1-CD2 4.17Å; L221-F233 HydrophobicContact CD1-CE2 4.25Å; F233-F305 HydrophobicContact CD1-CE1 4.01Å; F233-F305 AromaticContact CD1-CZ 3.98Å; F233-F305 HydrophobicContact CD1-CZ 3.98Å; F233-F305 AromaticContact CE1-CE1 3.68Å; F233-F305 HydrophobicContact CE1-CE1 3.68Å; F233-F305 AromaticContact CE1-CZ 3.55Å; F233-F305 HydrophobicContact CE1-CZ 3.55Å; F233-Y369 VanDerWaalsContact O-CE1 3.29Å; F233-Y369 WeakPolarHBondContact O-CE1 2.86Å; F233-Y369 PolarHBondContact O-OH 3.39Å; F233-V373 HydrophobicContact CB-CG1 3.84Å; F233-I377 HydrophobicContact CB-CD1 4.36Å; F233-I377 HydrophobicContact CD1-CD1 4.12Å; F233-I377 HydrophobicContact CD1-CG1 4.07Å; F233-I377 HydrophobicContact CD2-CD1 4.29Å; F233-I377 HydrophobicContact CE1-CG1 4.13Å; F233-I377 HydrophobicContact CG-CD1 4.01Å; F233-I377 HydrophobicContact CG-CG1 4.45Å; F233-L385 HydrophobicContact CE1-CD2 3.91Å; F233-L385 HydrophobicContact CZ-CD2 3.93Å; F233-Y388 HydrophobicContact CD1-CD1 4.09Å; F233-Y388 AromaticContact CD1-CE1 3.54Å; F233-Y388 HydrophobicContact CD1-CE1 3.54Å; F233-Y388 AromaticContact CE1-CD1 3.36Å; F233-Y388 HydrophobicContact CE1-CD1 3.36Å; F233-Y388 AromaticContact CE1-CE1 3.33Å; F233-Y388 HydrophobicContact CE1-CE1 3.33Å; F233-Y388 HydrophobicContact CE2-CD1 4.43Å; F233-Y388 HydrophobicContact CE2-CE1 4.38Å; F233-Y388 HydrophobicContact CG-CE1 4.16Å; F233-Y388 AromaticContact CZ-CD1 3.57Å; F233-Y388 HydrophobicContact CZ-CD1 3.57Å; F233-Y388 AromaticContact CZ-CE1 3.79Å; F233-Y388 HydrophobicContact CZ-CE1 3.79Å; F233-Y388 PolarHBondContact N-OH 3.06Å; F233-M389 HydrophobicContact CE2-CG 3.69Å; F233-M389 HydrophobicContact CE2-SD 3.98Å; F233-M389 HydrophobicContact CZ-CG 3.9Å
234	F	98.5	Very high	96.5	Very high	2 Å²	2	16.7 Å²	16.7	1%	0.009	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	154.9	-178.1	49.2	-96.8	0	0	0	111.2	L221 P232 V236 V252 D253 S255 I341 W343 Y346 M370	L221-F234 HydrophobicContact CD2-CZ 4.17Å; P232-F234 PolarHBondContact O-N 2.96Å; F234-V236 HydrophobicContact CD2-CG2 4.32Å; F234-V236 HydrophobicContact CE2-CG2 4.48Å; F234-V252 HydrophobicContact CB-CG1 4.41Å; F234-D253 CarbonylContact C-O 3.56Å; F234-D253 VanDerWaalsContact CA-O 3.28Å; F234-D253 WeakPolarHBondContact CA-O 3.39Å; F234-D253 WeakPolarHBondContact CB-O 3.49Å; F234-S255 WeakPolarHBondContact CA-OG 3.26Å; F234-S255 PolarHBondContact N-OG 2.9Å; F234-S255 VanDerWaalsContact N-OG 3.15Å; F234-S255 PolarHBondContact O-OG 3.04Å; F234-I341 HydrophobicContact CE1-CD1 4.17Å; F234-I341 HydrophobicContact CE1-CG1 3.85Å; F234-I341 HydrophobicContact CZ-CD1 4.22Å; F234-I341 HydrophobicContact CZ-CG1 3.85Å; F234-W343 HydrophobicContact CD1-CH2 4.11Å; F234-W343 AromaticContact CD2-CH2 3.91Å; F234-W343 HydrophobicContact CD2-CH2 3.91Å; F234-W343 HydrophobicContact CD2-CZ3 4.15Å; F234-W343 AromaticContact CE1-CH2 3.86Å; F234-W343 HydrophobicContact CE1-CH2 3.86Å; F234-W343 HydrophobicContact CE1-CZ2 4.39Å; F234-W343 AromaticContact CE2-CH2 3.64Å; F234-W343 HydrophobicContact CE2-CH2 3.64Å; F234-W343 AromaticContact CE2-CZ3 3.7Å; F234-W343 HydrophobicContact CE2-CZ3 3.7Å; F234-W343 HydrophobicContact CG-CH2 4.15Å; F234-W343 AromaticContact CZ-CH2 3.62Å; F234-W343 HydrophobicContact CZ-CH2 3.62Å; F234-W343 HydrophobicContact CZ-CZ2 4.39Å; F234-W343 AromaticContact CZ-CZ3 3.99Å; F234-W343 HydrophobicContact CZ-CZ3 3.99Å; F234-Y346 HydrophobicContact CE2-CD1 4.44Å; F234-Y346 AromaticContact CE2-CE1 3.64Å; F234-Y346 HydrophobicContact CE2-CE1 3.64Å; F234-Y346 AromaticContact CE2-CZ 3.83Å; F234-Y346 HydrophobicContact CZ-CE1 4.33Å; F234-M370 HydrophobicContact CB-CE 3.95Å; F234-M370 HydrophobicContact CB-SD 4.05Å; F234-M370 HydrophobicContact CD1-CE 3.78Å; F234-M370 HydrophobicContact CG-CE 3.88Å
235	T	97.7	Very high	96.5	Very high	15 Å²	15	17.3 Å²	17.3	9%	0.092	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	145.7	174.3	-179.7	0	0	0	0	110.6	D7 Q231 V252 D253 S255	D7-T235 PolarHBondContact OD2-OG1 3.17Å; Q231-T235 PolarHBondContact NE2-OG1 3.42Å; Q231-T235 PolarHBondContact OE1-OG1 2.89Å; Q231-T235 VanDerWaalsContact OE1-OG1 3.07Å; T235-V252 WeakPolarHBondContact O-CA 3.36Å; T235-D253 HydrophobicContact CG2-CB 3.71Å; T235-D253 PolarHBondContact N-O 3.24Å; T235-D253 PolarHBondContact O-N 3.07Å; T235-S255 PolarHBondContact N-OG 3.12Å; T235-S255 VanDerWaalsContact N-OG 3.14Å
236	V	97.8	Very high	96.5	Very high	3 Å²	3	22.8 Å²	22.8	2%	0.018	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	128.3	167.3	178.5	0	0	0	0	108.7	R229 F234 I250 Q251 V252 Y346 L347	R229-V236 PolarHBondContact NH1-O 3.44Å; F234-V236 HydrophobicContact CD2-CG2 4.32Å; F234-V236 HydrophobicContact CE2-CG2 4.48Å; V236-I250 HydrophobicContact CG1-CG2 4.06Å; V236-Q251 WeakPolarHBondContact CA-O 3.4Å; V236-V252 HydrophobicContact CG2-CG2 4.3Å; V236-Y346 HydrophobicContact CG2-CE1 3.81Å; V236-L347 HydrophobicContact CG1-CD2 3.88Å; V236-L347 HydrophobicContact CG2-CD2 4.14Å
237	S	96.6	Very high	96.7	Very high	22 Å²	22	24.8 Å²	24.8	15%	0.154	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	165.9	174.9	70.5	0	0	0	0	111.2	Q251	S237-Q251 PolarHBondContact N-O 3.4Å; S237-Q251 PolarHBondContact O-N 3.18Å
238	V	97.1	Very high	96.9	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	123.4	168.4	173.9	0	0	0	0	106.6	N248 L351 M540 Q543 L544	V238-N248 HydrophobicContact CG1-CB 3.94Å; V238-L351 HydrophobicContact CG2-CD1 4.45Å; V238-L351 HydrophobicContact CG2-CD2 3.89Å; V238-M540 HydrophobicContact CB-CG 4Å; V238-M540 HydrophobicContact CB-SD 3.91Å; V238-M540 HydrophobicContact CG2-CG 4.46Å; V238-M540 HydrophobicContact CG2-SD 3.74Å; V238-M540 PolarHBondContact N-SD 3.29Å; V238-Q543 HydrophobicContact CG1-CB 4.2Å; V238-L544 HydrophobicContact CG1-CB 3.83Å; V238-L544 HydrophobicContact CG1-CD1 3.92Å; V238-L544 HydrophobicContact CG1-CG 4.49Å; V238-L544 HydrophobicContact CG2-CB 4.23Å; V238-L544 HydrophobicContact CG2-CD1 4.22Å
239	S	95.3	Very high	97.1	Very high	22 Å²	22	22.8 Å²	22.8	15%	0.154	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	171.7	-176.9	179.1	0	0	0	0	109.8	N10 D241 N248 V249	N10-S239 PolarHBondContact ND2-OG 2.94Å; S239-D241 PolarHBondContact O-N 3.2Å; S239-N248 CarbonylContact O-C 3.57Å; S239-N248 VanDerWaalsContact O-CA 3.24Å; S239-N248 WeakPolarHBondContact O-CA 3.42Å; S239-N248 PolarHBondContact O-OD1 3.1Å; S239-V249 PolarHBondContact N-O 3.27Å; S239-V249 PolarHBondContact O-N 2.81Å
240	V	97.1	Very high	97.3	Very high	11 Å²	11	22.3 Å²	22.3	7%	0.067	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.5	135.2	176.5	-173.7	0	0	0	0	109.6	P242 N248 Q251 P548 T567	V240-P242 WeakPolarHBondContact O-CD 3.38Å; V240-N248 PolarHBondContact N-OD1 2.92Å; V240-Q251 PolarHBondContact O-NE2 3.19Å; V240-P548 HydrophobicContact CB-CG 4.23Å; V240-P548 HydrophobicContact CG1-CB 4.49Å; V240-P548 HydrophobicContact CG1-CG 3.98Å; V240-P548 HydrophobicContact CG2-CB 3.63Å; V240-P548 HydrophobicContact CG2-CG 3.68Å; V240-T567 HydrophobicContact CB-CG2 4.26Å; V240-T567 HydrophobicContact CG1-CG2 4.12Å
241	D	98	Very high	97.5	Very high	7 Å²	7	23.1 Å²	23.1	4%	0.037	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	116.2	173.3	176.6	2.6	0	0	0	110.3	S239 K243 N244 S245 S247 V249 Y326 K328	S239-D241 PolarHBondContact O-N 3.2Å; D241-K243 PolarHBondContact O-N 3.32Å; D241-K243 PolarHBondContact OD1-N 3.4Å; D241-K243 VanDerWaalsContact OD1-N 3.08Å; D241-N244 HydrophobicContact CB-CB 4.37Å; D241-N244 CarbonylContact O-C 3.58Å; D241-N244 PolarHBondContact O-N 3.18Å; D241-S245 PolarHBondContact O-N 3.34Å; D241-S247 PolarHBondContact N-O 2.9Å; D241-V249 HydrophobicContact CB-CB 4.05Å; D241-V249 HydrophobicContact CB-CG1 3.74Å; D241-Y326 WeakPolarHBondContact OD1-CE2 3.29Å; D241-Y326 PolarHBondContact OD1-OH 3.42Å; D241-K328 IonicContact OD1-NZ 2.77Å; D241-K328 WeakPolarHBondContact OD2-CE 3.42Å; D241-K328 IonicContact OD2-NZ 2.59Å; D241-K328 PolarHBondContact OD2-NZ 3.05Å
242	P	97.7	Very high	97.6	Very high	3 Å²	3	21.9 Å²	21.9	2%	0.019	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.5	-35.4	179	-31.3	33.9	0	0	0	114.4	V240 Y326 Y615 N620 L621	V240-P242 WeakPolarHBondContact O-CD 3.38Å; P242-Y326 HydrophobicContact CB-CD2 3.79Å; P242-Y326 HydrophobicContact CB-CE2 3.86Å; P242-Y326 HydrophobicContact CG-CD2 3.85Å; P242-Y326 HydrophobicContact CG-CE2 3.94Å; P242-Y615 HydrophobicContact CB-CE1 4.15Å; P242-N620 CarbonylContact O-C 3.49Å; P242-N620 WeakPolarHBondContact O-CA 3.32Å; P242-L621 HydrophobicContact CB-CB 4.07Å; P242-L621 HydrophobicContact CB-CD2 4.06Å; P242-L621 VanDerWaalsContact O-CB 3.28Å; P242-L621 WeakPolarHBondContact O-CB 3.03Å; P242-L621 PolarHBondContact O-N 3.38Å
243	K	98.1	Very high	97.7	Very high	95 Å²	95	23.3 Å²	23.3	41%	0.413	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-3.8	179.7	-66.5	-161.7	176	-174.3	0	114.5	D241 Y326 L621	D241-K243 PolarHBondContact O-N 3.32Å; D241-K243 PolarHBondContact OD1-N 3.4Å; D241-K243 VanDerWaalsContact OD1-N 3.08Å; K243-Y326 HydrophobicContact CB-CE1 4.35Å; K243-Y326 HydrophobicContact CB-CE2 4.45Å; K243-Y326 HydrophobicContact CD-CD1 3.82Å; K243-Y326 HydrophobicContact CD-CE1 3.49Å; K243-Y326 VanDerWaalsContact CD-CE1 3.49Å; K243-Y326 VanDerWaalsContact CE-CD1 3.49Å; K243-Y326 HydrophobicContact CG-CD1 4.09Å; K243-Y326 HydrophobicContact CG-CD2 4.45Å; K243-Y326 HydrophobicContact CG-CE1 3.69Å; K243-Y326 HydrophobicContact CG-CE2 4.04Å; K243-Y326 HydrophobicContact CG-CG 4.45Å; K243-L621 HydrophobicContact CG-CB 4.13Å; K243-L621 HydrophobicContact CG-CD2 4.31Å
244	N	97.6	Very high	97.7	Very high	61 Å²	61	24.8 Å²	24.8	33%	0.326	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	85.5	176.1	-178.9	13	0	0	0	110.4	D241 N246 S247 N620	D241-N244 HydrophobicContact CB-CB 4.37Å; D241-N244 CarbonylContact O-C 3.58Å; D241-N244 PolarHBondContact O-N 3.18Å; N244-N246 PolarHBondContact O-N 3.2Å; N244-N246 PolarHBondContact OD1-N 3.22Å; N244-S247 PolarHBondContact ND2-OG 2.89Å; N244-S247 PolarHBondContact O-N 3.32Å; N244-N620 WeakPolarHBondContact CA-OD1 3.24Å
245	S	96.6	Very high	97.7	Very high	13 Å²	13	25.9 Å²	25.9	9%	0.091	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	-10.8	-175.6	57.6	0	0	0	0	115.1	D241 S247 P548 T567 D618 N620	D241-S245 PolarHBondContact O-N 3.34Å; S245-S247 VanDerWaalsContact C-N 3.34Å; S245-P548 WeakPolarHBondContact O-CG 3.1Å; S245-T567 WeakPolarHBondContact CB-O 3.21Å; S245-D618 WeakPolarHBondContact CB-O 3.37Å; S245-D618 PolarHBondContact OG-O 2.88Å; S245-N620 PolarHBondContact N-OD1 2.87Å; S245-N620 PolarHBondContact OG-ND2 3.09Å; S245-N620 PolarHBondContact OG-OD1 2.88Å
246	N	96.6	Very high	97.6	Very high	118 Å²	118	25.5 Å²	25.5	63%	0.631	14%	0.143	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-88.3	3.6	176.2	-64.5	-54.4	0	0	0	113.6	N244 P548	N244-N246 PolarHBondContact O-N 3.2Å; N244-N246 PolarHBondContact OD1-N 3.22Å; N246-P548 WeakPolarHBondContact O-CD 3.37Å
247	S	97.5	Very high	97.6	Very high	46 Å²	46	26.8 Å²	26.8	32%	0.322	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	149.1	-177.2	-60.6	0	0	0	0	111.4	D241 N244 S245	D241-S247 PolarHBondContact N-O 2.9Å; N244-S247 PolarHBondContact ND2-OG 2.89Å; N244-S247 PolarHBondContact O-N 3.32Å; S245-S247 VanDerWaalsContact C-N 3.34Å
248	N	97.8	Very high	97.6	Very high	20 Å²	20	27.8 Å²	27.8	11%	0.107	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	154.9	167.4	-70.7	-54.3	0	0	0	110.4	V238 S239 V240 Q543 K546	V238-N248 HydrophobicContact CG1-CB 3.94Å; S239-N248 CarbonylContact O-C 3.57Å; S239-N248 VanDerWaalsContact O-CA 3.24Å; S239-N248 WeakPolarHBondContact O-CA 3.42Å; S239-N248 PolarHBondContact O-OD1 3.1Å; V240-N248 PolarHBondContact N-OD1 2.92Å; N248-Q543 PolarHBondContact ND2-O 3.14Å; N248-K546 PolarHBondContact ND2-O 3.35Å
249	V	98.4	Very high	97.6	Very high	4 Å²	4	28 Å²	28	2%	0.024	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	153.4	178	69.3	0	0	0	0	110	S239 D241 Q251 P361 V363	S239-V249 PolarHBondContact N-O 3.27Å; S239-V249 PolarHBondContact O-N 2.81Å; D241-V249 HydrophobicContact CB-CB 4.05Å; D241-V249 HydrophobicContact CB-CG1 3.74Å; V249-Q251 HydrophobicContact CG1-CG 4.03Å; V249-P361 HydrophobicContact CG2-CB 4.38Å; V249-P361 WeakPolarHBondContact CG2-O 3.06Å; V249-V363 HydrophobicContact CB-CG2 4.5Å; V249-V363 HydrophobicContact CG1-CB 4.39Å; V249-V363 HydrophobicContact CG1-CG2 3.69Å; V249-V363 HydrophobicContact CG2-CG2 4.02Å
250	I	98.8	Very high	97.5	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	132.6	169.5	-56.4	173.8	0	0	0	107.9	V236 L347 L351 L356 E360 V362 V363 L544	V236-I250 HydrophobicContact CG1-CG2 4.06Å; I250-L347 HydrophobicContact CG2-CD2 4.19Å; I250-L351 HydrophobicContact CD1-CD1 3.61Å; I250-L351 HydrophobicContact CG1-CD1 3.83Å; I250-L351 HydrophobicContact CG2-CD1 4.4Å; I250-L356 HydrophobicContact CD1-CD1 3.8Å; I250-L356 HydrophobicContact CD1-CD2 4.45Å; I250-E360 HydrophobicContact CD1-CG 3.92Å; I250-V362 HydrophobicContact CB-CG1 4.4Å; I250-V362 HydrophobicContact CB-CG2 4.24Å; I250-V362 HydrophobicContact CG2-CG1 4.12Å; I250-V362 HydrophobicContact CG2-CG2 4.34Å; I250-V362 WeakPolarHBondContact O-CA 3.45Å; I250-V363 PolarHBondContact O-N 3.17Å; I250-L544 HydrophobicContact CD1-CD2 4.08Å; I250-L544 HydrophobicContact CG1-CD1 3.78Å; I250-L544 HydrophobicContact CG1-CD2 3.92Å
251	Q	98.6	Very high	97.4	Very high	17 Å²	17	29.3 Å²	29.3	8%	0.079	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	135.4	177.6	-58.9	-175.4	-3.6	0	0	109.9	V236 S237 V240 V249 V363 Y365	V236-Q251 WeakPolarHBondContact CA-O 3.4Å; S237-Q251 PolarHBondContact N-O 3.4Å; S237-Q251 PolarHBondContact O-N 3.18Å; V240-Q251 PolarHBondContact O-NE2 3.19Å; V249-Q251 HydrophobicContact CG1-CG 4.03Å; Q251-V363 CarbonylContact C-O 3.58Å; Q251-V363 WeakPolarHBondContact CA-O 3.2Å; Q251-V363 HydrophobicContact CG-CB 4.32Å; Q251-Y365 HydrophobicContact CB-CE2 4.03Å; Q251-Y365 VanDerWaalsContact CD-OH 3.29Å; Q251-Y365 HydrophobicContact CG-CE2 4.26Å; Q251-Y365 PolarHBondContact NE2-OH 2.7Å; Q251-Y365 PolarHBondContact OE1-OH 3.15Å
252	V	98.7	Very high	97.3	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	129.4	176.7	-179.2	0	0	0	0	109.2	F234 T235 V236 L334 W343 V362 V363 V364 Y365 M370	F234-V252 HydrophobicContact CB-CG1 4.41Å; T235-V252 WeakPolarHBondContact O-CA 3.36Å; V236-V252 HydrophobicContact CG2-CG2 4.3Å; V252-L334 HydrophobicContact CG2-CD2 4.36Å; V252-W343 HydrophobicContact CG1-CH2 4.28Å; V252-W343 HydrophobicContact CG1-CZ3 4.42Å; V252-V362 HydrophobicContact CB-CG1 4.35Å; V252-V362 HydrophobicContact CG2-CG1 3.6Å; V252-V363 PolarHBondContact N-O 3.27Å; V252-V364 HydrophobicContact CB-CG2 4.44Å; V252-V364 WeakPolarHBondContact O-CA 3.49Å; V252-Y365 PolarHBondContact O-N 3.02Å; V252-Y365 VanDerWaalsContact O-N 3.14Å; V252-M370 HydrophobicContact CG1-CE 3.85Å; V252-M370 HydrophobicContact CG1-SD 3.88Å
253	D	98.5	Very high	97.2	Very high	30 Å²	30	33.7 Å²	33.7	16%	0.16	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	171	-177.3	-154.8	0.7	0	0	0	112.9	F234 T235 R319 Y365	F234-D253 CarbonylContact C-O 3.56Å; F234-D253 VanDerWaalsContact CA-O 3.28Å; F234-D253 WeakPolarHBondContact CA-O 3.39Å; F234-D253 WeakPolarHBondContact CB-O 3.49Å; T235-D253 HydrophobicContact CG2-CB 3.71Å; T235-D253 PolarHBondContact N-O 3.24Å; T235-D253 PolarHBondContact O-N 3.07Å; D253-R319 IonicContact OD1-CZ 2.7Å; D253-R319 VanDerWaalsContact OD1-CZ 3.31Å; D253-R319 IonicContact OD1-NH1 2.71Å; D253-R319 PolarHBondContact OD1-NH1 3.45Å; D253-R319 IonicContact OD1-NH2 2.63Å; D253-R319 PolarHBondContact OD1-NH2 3.09Å; D253-R319 IonicContact OD2-CZ 3.7Å; D253-R319 IonicContact OD2-NH1 3.61Å; D253-R319 IonicContact OD2-NH2 2.86Å; D253-R319 PolarHBondContact OD2-NH2 3.36Å; D253-Y365 HydrophobicContact CB-CD2 4.03Å; D253-Y365 WeakPolarHBondContact OD1-CB 3.42Å
254	Q	98.2	Very high	97.1	Very high	32 Å²	32	29.2 Å²	29.2	15%	0.15	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	137.6	176.2	67.5	-171.2	45.6	0	0	112.5	T313 V314 Y369	Q254-T313 HydrophobicContact CG-CG2 4.37Å; Q254-V314 PolarHBondContact NE2-O 3.46Å; Q254-V314 VanDerWaalsContact OE1-N 3.15Å; Q254-Y369 VanDerWaalsContact CA-CE1 3.42Å; Q254-Y369 HydrophobicContact CB-CD1 3.77Å; Q254-Y369 HydrophobicContact CB-CD2 3.84Å; Q254-Y369 HydrophobicContact CB-CE1 3.61Å; Q254-Y369 HydrophobicContact CB-CE2 3.7Å; Q254-Y369 HydrophobicContact CB-CG 3.9Å
255	S	97.8	Very high	97.1	Very high	24 Å²	24	26.8 Å²	26.8	17%	0.168	15%	0.148	C	C	.	.			trans	-160.8	-173.4	175.1	76.1	0	0	0	0	110.8	Q231 F234 T235 Y369	Q231-S255 PolarHBondContact O-OG 3.05Å; F234-S255 WeakPolarHBondContact CA-OG 3.26Å; F234-S255 PolarHBondContact N-OG 2.9Å; F234-S255 VanDerWaalsContact N-OG 3.15Å; F234-S255 PolarHBondContact O-OG 3.04Å; T235-S255 PolarHBondContact N-OG 3.12Å; T235-S255 VanDerWaalsContact N-OG 3.14Å; S255-Y369 PolarHBondContact N-OH 3.01Å; S255-Y369 PolarHBondContact O-OH 2.92Å
256	G	96.8	Very high	97.1	Very high	8 Å²	8	29 Å²	29	8%	0.082	16%	0.158	C	C	.	.			trans	100.2	3.2	168.1	0	0	0	0	0	115.1	Y388	G256-Y388 WeakPolarHBondContact CA-OH 3.06Å; G256-Y388 PolarHBondContact O-OH 3.13Å
257	L	97.7	Very high	96.8	Very high	29 Å²	29	26.8 Å²	26.8	15%	0.152	15%	0.147	C	C	.	.			trans	-90.2	138.9	167.6	-56.2	-177.2	0	0	0	109.8	R262 Y265 E306 L309 A310 T313	L257-R262 HydrophobicContact CD1-CB 4.01Å; L257-Y265 HydrophobicContact CB-CE2 3.99Å; L257-Y265 HydrophobicContact CD1-CD2 4.39Å; L257-Y265 HydrophobicContact CD1-CE2 4.17Å; L257-Y265 HydrophobicContact CD2-CE2 4.11Å; L257-Y265 HydrophobicContact CG-CE2 4.32Å; L257-E306 HydrophobicContact CD2-CB 4.42Å; L257-E306 VanDerWaalsContact CD2-O 3.32Å; L257-E306 WeakPolarHBondContact CD2-O 3.41Å; L257-L309 HydrophobicContact CD2-CB 4.09Å; L257-L309 HydrophobicContact CD2-CD2 4.19Å; L257-L309 HydrophobicContact CD2-CG 4.22Å; L257-A310 HydrophobicContact CD1-CB 3.82Å; L257-A310 HydrophobicContact CD2-CB 3.89Å; L257-T313 HydrophobicContact CD1-CG2 4.4Å
258	F	96.8	Very high	96.3	Very high	44 Å²	44	33.6 Å²	33.6	19%	0.193	17%	0.17	C	C	.	.			trans	-88.3	-39.3	174.7	-178.8	-107.6	0	0	0	113	Y265 Y277 Y280 Q395 L412	F258-Y265 PolarHBondContact N-OH 3.39Å; F258-Y265 VanDerWaalsContact N-OH 3.13Å; F258-Y277 HydrophobicContact CB-CE1 4.44Å; F258-Y277 HydrophobicContact CB-CE2 4.15Å; F258-Y277 WeakPolarHBondContact CB-OH 3.35Å; F258-Y277 AromaticContact CD1-CD2 3.7Å; F258-Y277 HydrophobicContact CD1-CD2 3.7Å; F258-Y277 HydrophobicContact CD1-CE1 4.48Å; F258-Y277 AromaticContact CD1-CE2 3.03Å; F258-Y277 HydrophobicContact CD1-CE2 3.03Å; F258-Y277 AromaticContact CD1-CZ 3.51Å; F258-Y277 AromaticContact CE1-CD2 3.96Å; F258-Y277 HydrophobicContact CE1-CD2 3.96Å; F258-Y277 AromaticContact CE1-CE2 3.51Å; F258-Y277 HydrophobicContact CE1-CE2 3.51Å; F258-Y277 AromaticContact CG-CE2 3.82Å; F258-Y277 HydrophobicContact CG-CE2 3.82Å; F258-Y277 AromaticContact CG-CZ 3.89Å; F258-Y280 HydrophobicContact CE1-CD1 4.34Å; F258-Y280 AromaticContact CE1-CE1 3.91Å; F258-Y280 HydrophobicContact CE1-CE1 3.91Å; F258-Y280 AromaticContact CZ-CE1 3.83Å; F258-Y280 HydrophobicContact CZ-CE1 3.83Å; F258-Q395 HydrophobicContact CD2-CB 4.08Å; F258-Q395 HydrophobicContact CD2-CG 3.58Å; F258-Q395 HydrophobicContact CE2-CB 3.93Å; F258-Q395 HydrophobicContact CE2-CG 3.67Å; F258-Q395 HydrophobicContact CG-CG 4.35Å; F258-L412 HydrophobicContact CD1-CD2 4.45Å; F258-L412 HydrophobicContact CE1-CD2 3.58Å; F258-L412 HydrophobicContact CZ-CD2 4.43Å
259	L	96.4	Very high	95.7	Very high	4 Å²	4	37.3 Å²	37.3	2%	0.021	19%	0.194	C	C	.	.	S	Bend	trans	-69.7	149.1	177.9	-59.7	177.1	0	0	0	109.9	S261 Y264 Y265 V273 L274 Y277	L259-S261 PolarHBondContact O-N 2.98Å; L259-Y264 HydrophobicContact CB-CD2 4.42Å; L259-Y264 HydrophobicContact CB-CG 4.32Å; L259-Y264 HydrophobicContact CD1-CG 4.48Å; L259-Y265 HydrophobicContact CB-CD2 4.41Å; L259-Y265 HydrophobicContact CB-CE2 3.58Å; L259-Y265 HydrophobicContact CD1-CD2 4.49Å; L259-Y265 HydrophobicContact CD1-CE1 4.16Å; L259-Y265 HydrophobicContact CD1-CE2 4.1Å; L259-Y265 HydrophobicContact CG-CE1 4.47Å; L259-Y265 HydrophobicContact CG-CE2 4.05Å; L259-Y265 PolarHBondContact N-OH 2.97Å; L259-V273 HydrophobicContact CD1-CG1 4.32Å; L259-V273 HydrophobicContact CD2-CG1 4.23Å; L259-L274 HydrophobicContact CD1-CD2 3.77Å; L259-Y277 HydrophobicContact CD1-CD1 4.03Å; L259-Y277 HydrophobicContact CD1-CG 4.39Å; L259-Y277 HydrophobicContact CD2-CD1 4.23Å; L259-Y277 HydrophobicContact CD2-CD2 4.25Å; L259-Y277 HydrophobicContact CD2-CG 3.94Å; L259-Y277 HydrophobicContact CG-CD1 4.03Å; L259-Y277 HydrophobicContact CG-CE1 4.43Å; L259-Y277 HydrophobicContact CG-CG 4.26Å
260	P	93.5	Very high	95.4	Very high	40 Å²	40	37.2 Å²	37.2	26%	0.26	19%	0.193	S	C	.	.	S	Bend	trans	-60.2	-22.2	-166.8	-28.6	37.5	0	0	0	116.2	Y264 T724	P260-Y264 HydrophobicContact CB-CE2 4.19Å; P260-Y264 HydrophobicContact CG-CE2 4.18Å; P260-T724 HydrophobicContact CB-CG2 3.55Å
261	S	94.9	Very high	95.1	Very high	21 Å²	21	44.4 Å²	44.4	15%	0.147	23%	0.227	C	C	.	.	S	Bend	trans	-145.8	151.1	179.2	169.4	0	0	0	0	110	L259 D263 Y264	L259-S261 PolarHBondContact O-N 2.98Å; S261-D263 PolarHBondContact O-N 3.43Å; S261-D263 VanDerWaalsContact O-N 3.16Å; S261-D263 PolarHBondContact OG-N 3.43Å; S261-D263 VanDerWaalsContact OG-N 3.16Å; S261-Y264 PolarHBondContact O-N 2.96Å
262	R	96.4	Very high	94.9	Very high	44 Å²	44	50.1 Å²	50.1	17%	0.166	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-30.6	170.3	69.4	-178.2	-62.2	-82.8	9.1	112.4	L257 Y264 Y265 L266 A310 N311 T313	L257-R262 HydrophobicContact CD1-CB 4.01Å; R262-Y264 PolarHBondContact O-N 3.39Å; R262-Y265 WeakPolarHBondContact O-CB 3.17Å; R262-Y265 PolarHBondContact O-N 2.95Å; R262-L266 VanDerWaalsContact NH1-CD1 3.3Å; R262-L266 PolarHBondContact O-N 2.77Å; R262-A310 HydrophobicContact CB-CB 4.12Å; R262-A310 PolarHBondContact NE-O 3.34Å; R262-A310 PolarHBondContact NH2-O 3.32Å; R262-N311 PolarHBondContact NH2-O 3.02Å; R262-T313 HydrophobicContact CB-CG2 4.36Å; R262-T313 PolarHBondContact NE-O 3.28Å
263	D	94.6	Very high	94.7	Very high	57 Å²	57	50.7 Å²	50.7	31%	0.305	26%	0.255	S	S	.	.	H	α-helix	trans	-70.8	-18.9	-174.7	-63.2	-28	0	0	0	112.9	S261 Y265 L266 N267 N270 M723	S261-D263 PolarHBondContact O-N 3.43Å; S261-D263 VanDerWaalsContact O-N 3.16Å; S261-D263 PolarHBondContact OG-N 3.43Å; S261-D263 VanDerWaalsContact OG-N 3.16Å; D263-Y265 PolarHBondContact O-N 3.33Å; D263-L266 PolarHBondContact O-N 3.12Å; D263-N267 WeakPolarHBondContact O-CB 3.49Å; D263-N267 PolarHBondContact O-N 3.04Å; D263-N270 PolarHBondContact O-ND2 3.26Å; D263-N270 VanDerWaalsContact O-ND2 3.07Å; D263-M723 HydrophobicContact CB-SD 4.2Å
264	Y	96.3	Very high	94.6	Very high	1 Å²	1	50.8 Å²	50.8	0%	0.004	26%	0.255	C	S	.	.	H	α-helix	trans	-63.5	-31.2	168.7	-83.2	-74.3	0	0	0	112.9	L259 P260 S261 R262 N270 V273 L274 L416 E720 M723	L259-Y264 HydrophobicContact CB-CD2 4.42Å; L259-Y264 HydrophobicContact CB-CG 4.32Å; L259-Y264 HydrophobicContact CD1-CG 4.48Å; P260-Y264 HydrophobicContact CB-CE2 4.19Å; P260-Y264 HydrophobicContact CG-CE2 4.18Å; S261-Y264 PolarHBondContact O-N 2.96Å; R262-Y264 PolarHBondContact O-N 3.39Å; Y264-N270 HydrophobicContact CD1-CB 3.97Å; Y264-N270 WeakPolarHBondContact O-CB 3.4Å; Y264-V273 HydrophobicContact CD1-CB 4.02Å; Y264-V273 HydrophobicContact CD1-CG1 3.7Å; Y264-V273 HydrophobicContact CD1-CG2 4.28Å; Y264-V273 HydrophobicContact CE1-CB 4.21Å; Y264-V273 HydrophobicContact CE1-CG1 3.94Å; Y264-V273 HydrophobicContact CE1-CG2 3.98Å; Y264-L274 WeakPolarHBondContact O-CD1 3.46Å; Y264-L274 WeakPolarHBondContact O-CD2 3.37Å; Y264-L274 VanDerWaalsContact O-CG 3.31Å; Y264-L274 WeakPolarHBondContact O-CG 3.41Å; Y264-L416 HydrophobicContact CD1-CD2 4.35Å; Y264-L416 HydrophobicContact CE1-CD2 3.76Å; Y264-L416 HydrophobicContact CE2-CD2 4.29Å; Y264-E720 HydrophobicContact CE2-CG 4.43Å; Y264-E720 WeakPolarHBondContact OH-CA 3.39Å; Y264-E720 WeakPolarHBondContact OH-CB 3.47Å; Y264-E720 VanDerWaalsContact OH-CG 3.32Å; Y264-E720 WeakPolarHBondContact OH-CG 3.41Å; Y264-M723 HydrophobicContact CD1-CE 4.23Å; Y264-M723 HydrophobicContact CD2-CE 4.06Å; Y264-M723 HydrophobicContact CE1-CE 3.59Å; Y264-M723 HydrophobicContact CE2-CE 3.41Å; Y264-M723 VanDerWaalsContact CE2-CE 3.41Å; Y264-M723 HydrophobicContact CE2-SD 4.4Å; Y264-M723 HydrophobicContact CG-CE 4.45Å; Y264-M723 VanDerWaalsContact OH-CE 3.27Å; Y264-M723 WeakPolarHBondContact OH-CE 3.45Å
265	Y	97.9	Very high	94.6	Very high	10 Å²	10	55.6 Å²	55.6	4%	0.039	28%	0.276	C	S	.	.	H	α-helix	trans	-83.9	-29.7	179.2	-61.5	-93.3	0	0	0	112.6	L257 F258 L259 R262 D263 L274 Y277 L303 E306 A310	L257-Y265 HydrophobicContact CB-CE2 3.99Å; L257-Y265 HydrophobicContact CD1-CD2 4.39Å; L257-Y265 HydrophobicContact CD1-CE2 4.17Å; L257-Y265 HydrophobicContact CD2-CE2 4.11Å; L257-Y265 HydrophobicContact CG-CE2 4.32Å; F258-Y265 PolarHBondContact N-OH 3.39Å; F258-Y265 VanDerWaalsContact N-OH 3.13Å; L259-Y265 HydrophobicContact CB-CD2 4.41Å; L259-Y265 HydrophobicContact CB-CE2 3.58Å; L259-Y265 HydrophobicContact CD1-CD2 4.49Å; L259-Y265 HydrophobicContact CD1-CE1 4.16Å; L259-Y265 HydrophobicContact CD1-CE2 4.1Å; L259-Y265 HydrophobicContact CG-CE1 4.47Å; L259-Y265 HydrophobicContact CG-CE2 4.05Å; L259-Y265 PolarHBondContact N-OH 2.97Å; R262-Y265 WeakPolarHBondContact O-CB 3.17Å; R262-Y265 PolarHBondContact O-N 2.95Å; D263-Y265 PolarHBondContact O-N 3.33Å; Y265-L274 HydrophobicContact CD1-CD2 3.97Å; Y265-L274 HydrophobicContact CG-CD2 4.39Å; Y265-Y277 HydrophobicContact CE1-CE1 4.44Å; Y265-L303 HydrophobicContact CD1-CD1 4.21Å; Y265-L303 HydrophobicContact CE1-CD1 3.98Å; Y265-E306 HydrophobicContact CD1-CB 4.34Å; Y265-E306 HydrophobicContact CE1-CB 3.66Å; Y265-E306 WeakPolarHBondContact CE1-OE2 3.21Å; Y265-E306 PolarHBondContact OH-OE2 3.28Å; Y265-A310 HydrophobicContact CD2-CB 3.83Å; Y265-A310 HydrophobicContact CG-CB 3.81Å
266	L	96.2	Very high	94.6	Very high	60 Å²	60	55.2 Å²	55.2	31%	0.314	27%	0.274	S	S	.	.	H	α-helix	trans	-104.5	-30.4	-167.6	-56.8	177	0	0	0	113.5	R262 D263 T307 N311	R262-L266 VanDerWaalsContact NH1-CD1 3.3Å; R262-L266 PolarHBondContact O-N 2.77Å; D263-L266 PolarHBondContact O-N 3.12Å; L266-T307 HydrophobicContact CD2-CG2 4.46Å; L266-N311 HydrophobicContact CD2-CB 4.12Å
267	N	91.5	Very high	94.7	Very high	72 Å²	72	54.9 Å²	54.9	39%	0.385	27%	0.27	S	S	.	.			trans	-84.6	127	-179	-168.6	-6.4	0	0	0	111.3	D263 T269 N270	D263-N267 WeakPolarHBondContact O-CB 3.49Å; D263-N267 PolarHBondContact O-N 3.04Å; N267-T269 PolarHBondContact ND2-OG1 3.47Å; N267-T269 VanDerWaalsContact ND2-OG1 3.09Å; N267-T269 PolarHBondContact O-N 3.18Å; N267-T269 PolarHBondContact OD1-N 2.94Å; N267-T269 PolarHBondContact OD1-OG1 3.39Å; N267-N270 WeakPolarHBondContact O-CB 3.5Å; N267-N270 PolarHBondContact O-N 3.15Å
268	K	86.7	Confident	94.7	Very high	189 Å²	189	53.9 Å²	53.9	82%	0.822	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-63	-23.4	-179.4	-66.6	-173.3	178	-178.1	0	113.6	N270 E271	K268-N270 PolarHBondContact O-N 3.19Å; K268-E271 PolarHBondContact O-N 2.81Å
269	T	85.2	Confident	94.7	Very high	97 Å²	97	54.8 Å²	54.8	60%	0.595	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-63.3	-19.6	175.7	57.5	0	0	0	0	112.5	N267	N267-T269 PolarHBondContact ND2-OG1 3.47Å; N267-T269 VanDerWaalsContact ND2-OG1 3.09Å; N267-T269 PolarHBondContact O-N 3.18Å; N267-T269 PolarHBondContact OD1-N 2.94Å; N267-T269 PolarHBondContact OD1-OG1 3.39Å
270	N	91.6	Very high	94.8	Very high	3 Å²	3	54.8 Å²	54.8	2%	0.016	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-93	9.2	-175.9	-69	-39.6	0	0	0	114.6	D263 Y264 N267 K268 K272 V273 L274 H719	D263-N270 PolarHBondContact O-ND2 3.26Å; D263-N270 VanDerWaalsContact O-ND2 3.07Å; Y264-N270 HydrophobicContact CD1-CB 3.97Å; Y264-N270 WeakPolarHBondContact O-CB 3.4Å; N267-N270 WeakPolarHBondContact O-CB 3.5Å; N267-N270 PolarHBondContact O-N 3.15Å; K268-N270 PolarHBondContact O-N 3.19Å; N270-K272 PolarHBondContact O-N 3.43Å; N270-K272 VanDerWaalsContact O-N 3.12Å; N270-V273 WeakPolarHBondContact O-CA 3.31Å; N270-V273 WeakPolarHBondContact O-CB 3.43Å; N270-V273 PolarHBondContact O-N 2.89Å; N270-L274 PolarHBondContact O-N 2.94Å; N270-H719 PolarHBondContact OD1-NE2 2.91Å
271	E	92.6	Very high	95.1	Very high	150 Å²	150	52.9 Å²	52.9	70%	0.701	26%	0.259	S	S	*	.	H	α-helix	trans	-54.4	-36.6	-177.5	-172	179.5	-174.5	0	0	113	K268 V273 L274 K275	K268-E271 PolarHBondContact O-N 2.81Å; E271-V273 VanDerWaalsContact C-N 3.33Å; E271-V273 PolarHBondContact O-N 3.44Å; E271-L274 PolarHBondContact O-N 3.29Å; E271-K275 WeakPolarHBondContact O-CB 3.45Å; E271-K275 PolarHBondContact O-N 3.46Å
272	K	94	Very high	95.2	Very high	138 Å²	138	52.8 Å²	52.8	60%	0.6	26%	0.258	S	S	*	.	H	α-helix	trans	-60.7	-41.8	175.7	-176.4	-173.6	172.1	-164.6	0	111.8	N270 A276	N270-K272 PolarHBondContact O-N 3.43Å; N270-K272 VanDerWaalsContact O-N 3.12Å; K272-A276 WeakPolarHBondContact O-CB 3.25Å; K272-A276 PolarHBondContact O-N 2.95Å
273	V	95.9	Very high	95.3	Very high	11 Å²	11	53.5 Å²	53.5	7%	0.067	26%	0.263	C	S	.	.	H	α-helix	trans	-71.8	-42.9	-179.8	175.1	0	0	0	0	110.6	L259 Y264 N270 E271 K275 A276 Y277 L416	L259-V273 HydrophobicContact CD1-CG1 4.32Å; L259-V273 HydrophobicContact CD2-CG1 4.23Å; Y264-V273 HydrophobicContact CD1-CB 4.02Å; Y264-V273 HydrophobicContact CD1-CG1 3.7Å; Y264-V273 HydrophobicContact CD1-CG2 4.28Å; Y264-V273 HydrophobicContact CE1-CB 4.21Å; Y264-V273 HydrophobicContact CE1-CG1 3.94Å; Y264-V273 HydrophobicContact CE1-CG2 3.98Å; N270-V273 WeakPolarHBondContact O-CA 3.31Å; N270-V273 WeakPolarHBondContact O-CB 3.43Å; N270-V273 PolarHBondContact O-N 2.89Å; E271-V273 VanDerWaalsContact C-N 3.33Å; E271-V273 PolarHBondContact O-N 3.44Å; V273-K275 VanDerWaalsContact C-N 3.3Å; V273-K275 PolarHBondContact O-N 3.33Å; V273-A276 PolarHBondContact O-N 3.32Å; V273-Y277 WeakPolarHBondContact O-CB 3.45Å; V273-Y277 PolarHBondContact O-N 3.4Å; V273-L416 HydrophobicContact CG1-CD2 3.47Å; V273-L416 VanDerWaalsContact CG1-CD2 3.47Å; V273-L416 HydrophobicContact CG1-CG 4.07Å; V273-L416 HydrophobicContact CG2-CD2 4.4Å
274	L	96.9	Very high	95.5	Very high	33 Å²	33	50.8 Å²	50.8	17%	0.173	25%	0.248	C	C	.	.	H	α-helix	trans	-60.6	-40.7	176.3	-71.9	171.8	0	0	0	112.1	L259 Y264 Y265 N270 E271 Y277 L278 L303	L259-L274 HydrophobicContact CD1-CD2 3.77Å; Y264-L274 WeakPolarHBondContact O-CD1 3.46Å; Y264-L274 WeakPolarHBondContact O-CD2 3.37Å; Y264-L274 VanDerWaalsContact O-CG 3.31Å; Y264-L274 WeakPolarHBondContact O-CG 3.41Å; Y265-L274 HydrophobicContact CD1-CD2 3.97Å; Y265-L274 HydrophobicContact CG-CD2 4.39Å; N270-L274 PolarHBondContact O-N 2.94Å; E271-L274 PolarHBondContact O-N 3.29Å; L274-Y277 PolarHBondContact O-N 2.98Å; L274-L278 PolarHBondContact O-N 3.27Å; L274-L303 HydrophobicContact CD2-CD1 4.14Å
275	K	97.5	Very high	95.6	Very high	133 Å²	133	50.7 Å²	50.7	58%	0.578	25%	0.248	S	C	*	.	H	α-helix	trans	-62.9	-46.4	173.9	-176.4	179.3	176.9	-177.7	0	111.9	E271 V273 Y277 L278 D279	E271-K275 WeakPolarHBondContact O-CB 3.45Å; E271-K275 PolarHBondContact O-N 3.46Å; V273-K275 VanDerWaalsContact C-N 3.3Å; V273-K275 PolarHBondContact O-N 3.33Å; K275-Y277 PolarHBondContact O-N 3.2Å; K275-L278 PolarHBondContact O-N 3.39Å; K275-D279 VanDerWaalsContact O-CG 3.32Å; K275-D279 PolarHBondContact O-N 3.09Å
276	A	97.2	Very high	95.6	Very high	16 Å²	16	53 Å²	53	13%	0.132	26%	0.261	C	S	.	.	H	α-helix	trans	-61.9	-35.8	177	0	0	0	0	0	111.8	K272 V273 D279 Y280 L412 S415	K272-A276 WeakPolarHBondContact O-CB 3.25Å; K272-A276 PolarHBondContact O-N 2.95Å; V273-A276 PolarHBondContact O-N 3.32Å; A276-D279 PolarHBondContact O-N 3.35Å; A276-Y280 WeakPolarHBondContact O-CB 3.1Å; A276-Y280 PolarHBondContact O-N 3.49Å; A276-L412 HydrophobicContact CB-CD1 4.1Å; A276-S415 WeakPolarHBondContact CB-OG 3.31Å
277	Y	98.2	Very high	95.7	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-67.4	-46	176.6	-177.8	-135.4	0	0	0	112	F258 L259 Y265 V273 L274 K275 D279 Y280 M281 L303 E306 W391 Q395 L412	F258-Y277 HydrophobicContact CB-CE1 4.44Å; F258-Y277 HydrophobicContact CB-CE2 4.15Å; F258-Y277 WeakPolarHBondContact CB-OH 3.35Å; F258-Y277 AromaticContact CD1-CD2 3.7Å; F258-Y277 HydrophobicContact CD1-CD2 3.7Å; F258-Y277 HydrophobicContact CD1-CE1 4.48Å; F258-Y277 AromaticContact CD1-CE2 3.03Å; F258-Y277 HydrophobicContact CD1-CE2 3.03Å; F258-Y277 AromaticContact CD1-CZ 3.51Å; F258-Y277 AromaticContact CE1-CD2 3.96Å; F258-Y277 HydrophobicContact CE1-CD2 3.96Å; F258-Y277 AromaticContact CE1-CE2 3.51Å; F258-Y277 HydrophobicContact CE1-CE2 3.51Å; F258-Y277 AromaticContact CG-CE2 3.82Å; F258-Y277 HydrophobicContact CG-CE2 3.82Å; F258-Y277 AromaticContact CG-CZ 3.89Å; L259-Y277 HydrophobicContact CD1-CD1 4.03Å; L259-Y277 HydrophobicContact CD1-CG 4.39Å; L259-Y277 HydrophobicContact CD2-CD1 4.23Å; L259-Y277 HydrophobicContact CD2-CD2 4.25Å; L259-Y277 HydrophobicContact CD2-CG 3.94Å; L259-Y277 HydrophobicContact CG-CD1 4.03Å; L259-Y277 HydrophobicContact CG-CE1 4.43Å; L259-Y277 HydrophobicContact CG-CG 4.26Å; Y265-Y277 HydrophobicContact CE1-CE1 4.44Å; V273-Y277 WeakPolarHBondContact O-CB 3.45Å; V273-Y277 PolarHBondContact O-N 3.4Å; L274-Y277 PolarHBondContact O-N 2.98Å; K275-Y277 PolarHBondContact O-N 3.2Å; Y277-D279 VanDerWaalsContact C-N 3.3Å; Y277-D279 PolarHBondContact O-N 3.01Å; Y277-Y280 AromaticContact CD2-CD1 3.98Å; Y277-Y280 HydrophobicContact CD2-CD1 3.98Å; Y277-Y280 HydrophobicContact CE2-CD1 4Å; Y277-Y280 HydrophobicContact CE2-CE1 4.43Å; Y277-Y280 WeakPolarHBondContact O-CB 3.28Å; Y277-Y280 PolarHBondContact O-N 3.49Å; Y277-M281 HydrophobicContact CD1-SD 4.06Å; Y277-M281 HydrophobicContact CD2-CG 4.23Å; Y277-M281 HydrophobicContact CE1-CG 4.48Å; Y277-M281 HydrophobicContact CE1-SD 3.75Å; Y277-M281 HydrophobicContact CE2-CG 3.88Å; Y277-M281 HydrophobicContact CE2-SD 4.22Å; Y277-M281 HydrophobicContact CG-SD 4.41Å; Y277-M281 VanDerWaalsContact O-CG 3.25Å; Y277-M281 WeakPolarHBondContact O-CG 3.48Å; Y277-M281 PolarHBondContact O-N 3.37Å; Y277-L303 HydrophobicContact CD1-CD1 3.75Å; Y277-L303 HydrophobicContact CE1-CD1 3.99Å; Y277-E306 VanDerWaalsContact CE1-OE2 3.3Å; Y277-E306 WeakPolarHBondContact CE1-OE2 3.46Å; Y277-E306 PolarHBondContact OH-OE1 3.32Å; Y277-E306 PolarHBondContact OH-OE2 3.36Å; Y277-W391 AromaticContact CE2-CZ2 3.89Å; Y277-W391 HydrophobicContact CE2-CZ2 3.89Å; Y277-W391 AromaticContact CZ-NE1 3.86Å; Y277-W391 PolarHBondContact OH-NE1 3.42Å; Y277-Q395 PolarHBondContact OH-NE2 3.26Å; Y277-L412 HydrophobicContact CD2-CD2 3.87Å
278	L	98.3	Very high	96	Very high	9 Å²	9	48.5 Å²	48.5	5%	0.047	24%	0.236	C	C	.	.	H	α-helix	trans	-59	-42.7	173.1	-179.8	62.2	0	0	0	112	L274 K275 Y280 M281 V282 M299 Q300 L303	L274-L278 PolarHBondContact O-N 3.27Å; K275-L278 PolarHBondContact O-N 3.39Å; L278-Y280 VanDerWaalsContact C-N 3.31Å; L278-Y280 PolarHBondContact O-N 3Å; L278-M281 WeakPolarHBondContact O-CB 3.37Å; L278-M281 PolarHBondContact O-N 2.93Å; L278-V282 HydrophobicContact CD1-CG2 4.44Å; L278-V282 VanDerWaalsContact O-CG2 3.31Å; L278-V282 WeakPolarHBondContact O-CG2 3.29Å; L278-V282 PolarHBondContact O-N 2.97Å; L278-M299 HydrophobicContact CD1-CB 3.96Å; L278-Q300 HydrophobicContact CD1-CB 4.34Å; L278-L303 HydrophobicContact CB-CD2 4.02Å; L278-L303 HydrophobicContact CD1-CD2 4.44Å
279	D	98.2	Very high	96.5	Very high	62 Å²	62	41.8 Å²	41.8	33%	0.332	22%	0.221	S	C	.	.	H	α-helix	trans	-65.1	-37.2	178.7	-69.5	-20.9	0	0	0	111.3	K275 A276 Y277 V282 E283 R296	K275-D279 VanDerWaalsContact O-CG 3.32Å; K275-D279 PolarHBondContact O-N 3.09Å; A276-D279 PolarHBondContact O-N 3.35Å; Y277-D279 VanDerWaalsContact C-N 3.3Å; Y277-D279 PolarHBondContact O-N 3.01Å; D279-V282 PolarHBondContact O-N 3.31Å; D279-E283 WeakPolarHBondContact O-CB 3.39Å; D279-E283 PolarHBondContact O-N 3.46Å; D279-R296 IonicContact OD1-CZ 2.99Å; D279-R296 IonicContact OD1-NH1 3.6Å; D279-R296 PolarHBondContact OD1-NH1 3.11Å; D279-R296 IonicContact OD1-NH2 3.5Å; D279-R296 PolarHBondContact OD1-NH2 3.1Å
280	Y	98	Very high	97.1	Very high	5 Å²	5	37.8 Å²	37.8	2%	0.02	20%	0.199	C	C	.	.	H	α-helix	trans	-62	-47	170.7	167.5	-107.2	0	0	0	112.5	F258 A276 Y277 L278 V282 E283 L284 W391 A408 Q409 L412	F258-Y280 HydrophobicContact CE1-CD1 4.34Å; F258-Y280 AromaticContact CE1-CE1 3.91Å; F258-Y280 HydrophobicContact CE1-CE1 3.91Å; F258-Y280 AromaticContact CZ-CE1 3.83Å; F258-Y280 HydrophobicContact CZ-CE1 3.83Å; A276-Y280 WeakPolarHBondContact O-CB 3.1Å; A276-Y280 PolarHBondContact O-N 3.49Å; Y277-Y280 AromaticContact CD2-CD1 3.98Å; Y277-Y280 HydrophobicContact CD2-CD1 3.98Å; Y277-Y280 HydrophobicContact CE2-CD1 4Å; Y277-Y280 HydrophobicContact CE2-CE1 4.43Å; Y277-Y280 WeakPolarHBondContact O-CB 3.28Å; Y277-Y280 PolarHBondContact O-N 3.49Å; L278-Y280 VanDerWaalsContact C-N 3.31Å; L278-Y280 PolarHBondContact O-N 3Å; Y280-V282 VanDerWaalsContact C-N 3.3Å; Y280-V282 PolarHBondContact O-N 3.19Å; Y280-E283 PolarHBondContact O-N 3.09Å; Y280-L284 HydrophobicContact CD2-CG 4.17Å; Y280-L284 HydrophobicContact CE1-CD1 4.07Å; Y280-L284 HydrophobicContact CE2-CD1 3.7Å; Y280-L284 HydrophobicContact CE2-CD2 4.03Å; Y280-L284 HydrophobicContact CE2-CG 3.75Å; Y280-L284 VanDerWaalsContact CZ-CD1 3.44Å; Y280-L284 PolarHBondContact O-N 3.31Å; Y280-L284 WeakPolarHBondContact OH-CD1 3.49Å; Y280-W391 AromaticContact CD1-CH2 3.97Å; Y280-W391 HydrophobicContact CD1-CH2 3.97Å; Y280-W391 HydrophobicContact CD1-CZ2 4.14Å; Y280-W391 AromaticContact CE1-CH2 3.69Å; Y280-W391 HydrophobicContact CE1-CH2 3.69Å; Y280-W391 AromaticContact CE1-CZ2 3.93Å; Y280-W391 HydrophobicContact CE1-CZ2 3.93Å; Y280-A408 HydrophobicContact CD2-CB 3.99Å; Y280-A408 WeakPolarHBondContact CD2-O 3.49Å; Y280-A408 HydrophobicContact CE2-CB 4.22Å; Y280-Q409 HydrophobicContact CE2-CB 4.06Å; Y280-L412 HydrophobicContact CD1-CD2 3.82Å; Y280-L412 HydrophobicContact CE1-CD2 4.29Å; Y280-L412 HydrophobicContact CG-CB 4.37Å; Y280-L412 HydrophobicContact CG-CD2 4.01Å
281	M	98.5	Very high	97.3	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-56.4	-46.3	175.9	-66	167.7	82.2	0	0	111.3	Y277 L278 L284 G285 M299 I302 L303 W391	Y277-M281 HydrophobicContact CD1-SD 4.06Å; Y277-M281 HydrophobicContact CD2-CG 4.23Å; Y277-M281 HydrophobicContact CE1-CG 4.48Å; Y277-M281 HydrophobicContact CE1-SD 3.75Å; Y277-M281 HydrophobicContact CE2-CG 3.88Å; Y277-M281 HydrophobicContact CE2-SD 4.22Å; Y277-M281 HydrophobicContact CG-SD 4.41Å; Y277-M281 VanDerWaalsContact O-CG 3.25Å; Y277-M281 WeakPolarHBondContact O-CG 3.48Å; Y277-M281 PolarHBondContact O-N 3.37Å; L278-M281 WeakPolarHBondContact O-CB 3.37Å; L278-M281 PolarHBondContact O-N 2.93Å; M281-L284 PolarHBondContact O-N 3.36Å; M281-G285 PolarHBondContact O-N 3.43Å; M281-M299 HydrophobicContact CB-CB 3.83Å; M281-M299 HydrophobicContact CB-CG 3.85Å; M281-M299 HydrophobicContact CB-SD 3.87Å; M281-M299 HydrophobicContact CE-CB 4.3Å; M281-M299 VanDerWaalsContact CE-O 3.28Å; M281-M299 WeakPolarHBondContact CE-O 3.46Å; M281-M299 HydrophobicContact CE-SD 4.23Å; M281-M299 WeakPolarHBondContact O-CE 3.46Å; M281-I302 HydrophobicContact CE-CB 3.58Å; M281-I302 HydrophobicContact CE-CG2 3.48Å; M281-I302 VanDerWaalsContact CE-CG2 3.48Å; M281-L303 HydrophobicContact CE-CB 4.43Å; M281-L303 HydrophobicContact SD-CB 4.25Å; M281-W391 HydrophobicContact CB-CH2 4.06Å; M281-W391 HydrophobicContact CB-CZ2 4.12Å; M281-W391 HydrophobicContact CG-CH2 3.76Å; M281-W391 HydrophobicContact CG-CZ2 3.33Å
282	V	98.5	Very high	97.2	Very high	19 Å²	19	42.7 Å²	42.7	12%	0.115	22%	0.222	C	C	.	.	H	α-helix	trans	-63.9	-45.8	178.4	172.8	0	0	0	0	111.4	L278 D279 Y280 L284 G285 L286 T295 R296 M299	L278-V282 HydrophobicContact CD1-CG2 4.44Å; L278-V282 VanDerWaalsContact O-CG2 3.31Å; L278-V282 WeakPolarHBondContact O-CG2 3.29Å; L278-V282 PolarHBondContact O-N 2.97Å; D279-V282 PolarHBondContact O-N 3.31Å; Y280-V282 VanDerWaalsContact C-N 3.3Å; Y280-V282 PolarHBondContact O-N 3.19Å; V282-L284 PolarHBondContact O-N 2.97Å; V282-G285 PolarHBondContact O-N 3.33Å; V282-L286 HydrophobicContact CG1-CD1 4.1Å; V282-L286 HydrophobicContact CG1-CG 4.39Å; V282-L286 VanDerWaalsContact O-CG 3.28Å; V282-L286 WeakPolarHBondContact O-CG 3.5Å; V282-L286 PolarHBondContact O-N 3.32Å; V282-T295 HydrophobicContact CG1-CG2 4.37Å; V282-R296 HydrophobicContact CG2-CB 3.95Å; V282-R296 HydrophobicContact CG2-CG 3.98Å; V282-M299 HydrophobicContact CG2-CB 4Å; V282-M299 HydrophobicContact CG2-CG 4.19Å
283	E	98.2	Very high	97.1	Very high	58 Å²	58	43.2 Å²	43.2	27%	0.271	23%	0.231	S	C	.	.	H	α-helix	trans	-60.2	-45.3	179.6	-172	163.6	-167.9	0	0	111.5	D279 Y280 L286 L287 A408 K411	D279-E283 WeakPolarHBondContact O-CB 3.39Å; D279-E283 PolarHBondContact O-N 3.46Å; Y280-E283 PolarHBondContact O-N 3.09Å; E283-L286 PolarHBondContact O-N 3.34Å; E283-L287 HydrophobicContact CG-CD1 4.43Å; E283-L287 WeakPolarHBondContact O-CG 3.44Å; E283-L287 PolarHBondContact O-N 3.27Å; E283-A408 HydrophobicContact CB-CB 4.29Å; E283-A408 HydrophobicContact CG-CB 3.85Å; E283-K411 IonicContact OE1-NZ 3.82Å; E283-K411 PolarHBondContact OE1-NZ 3.21Å; E283-K411 IonicContact OE2-NZ 3.97Å; E283-K411 PolarHBondContact OE2-NZ 2.91Å
284	L	98.5	Very high	97.1	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-64.8	-42.4	175.5	-67.4	-153.9	0	0	0	112.7	Y280 M281 V282 L286 L287 L288 W391 V394 A398 F405 A408	Y280-L284 HydrophobicContact CD2-CG 4.17Å; Y280-L284 HydrophobicContact CE1-CD1 4.07Å; Y280-L284 HydrophobicContact CE2-CD1 3.7Å; Y280-L284 HydrophobicContact CE2-CD2 4.03Å; Y280-L284 HydrophobicContact CE2-CG 3.75Å; Y280-L284 VanDerWaalsContact CZ-CD1 3.44Å; Y280-L284 PolarHBondContact O-N 3.31Å; Y280-L284 WeakPolarHBondContact OH-CD1 3.49Å; M281-L284 PolarHBondContact O-N 3.36Å; V282-L284 PolarHBondContact O-N 2.97Å; L284-L286 VanDerWaalsContact C-N 3.26Å; L284-L286 PolarHBondContact O-N 2.95Å; L284-L287 HydrophobicContact CD2-CD1 4.11Å; L284-L287 PolarHBondContact O-N 3.01Å; L284-L288 WeakPolarHBondContact O-CB 3.35Å; L284-L288 VanDerWaalsContact O-CG 3.29Å; L284-L288 WeakPolarHBondContact O-CG 3.35Å; L284-L288 PolarHBondContact O-N 3.11Å; L284-W391 HydrophobicContact CB-CH2 4.4Å; L284-W391 HydrophobicContact CB-CZ3 4.04Å; L284-W391 HydrophobicContact CD1-CH2 4.02Å; L284-W391 HydrophobicContact CD1-CZ3 4.09Å; L284-W391 HydrophobicContact CG-CH2 4.47Å; L284-V394 HydrophobicContact CD1-CG1 3.93Å; L284-A398 HydrophobicContact CD1-CB 3.99Å; L284-F405 HydrophobicContact CD1-CD1 4.48Å; L284-F405 HydrophobicContact CD2-CD1 3.56Å; L284-F405 HydrophobicContact CD2-CE1 4.12Å; L284-F405 HydrophobicContact CD2-CG 4.33Å; L284-A408 HydrophobicContact CD2-CB 3.72Å
285	G	98.3	Very high	97.1	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-56.7	-41.1	175.6	0	0	0	0	0	112.3	M281 V282 L288 G289 G290	M281-G285 PolarHBondContact O-N 3.43Å; V282-G285 PolarHBondContact O-N 3.33Å; G285-L288 PolarHBondContact O-N 2.8Å; G285-G289 PolarHBondContact O-N 2.9Å; G285-G290 WeakPolarHBondContact O-CA 3.31Å; G285-G290 PolarHBondContact O-N 3.38Å
286	L	98.3	Very high	97.1	Very high	59 Å²	59	42.3 Å²	42.3	31%	0.309	23%	0.228	S	C	.	.	H	α-helix	trans	-69.6	-41.3	175.9	-64.9	176.5	0	0	0	112.6	V282 E283 L284 L288 G289 G290 K292 T295	V282-L286 HydrophobicContact CG1-CD1 4.1Å; V282-L286 HydrophobicContact CG1-CG 4.39Å; V282-L286 VanDerWaalsContact O-CG 3.28Å; V282-L286 WeakPolarHBondContact O-CG 3.5Å; V282-L286 PolarHBondContact O-N 3.32Å; E283-L286 PolarHBondContact O-N 3.34Å; L284-L286 VanDerWaalsContact C-N 3.26Å; L284-L286 PolarHBondContact O-N 2.95Å; L286-L288 PolarHBondContact O-N 2.83Å; L286-G289 PolarHBondContact O-N 3.32Å; L286-G289 VanDerWaalsContact O-N 3.09Å; L286-G290 VanDerWaalsContact CD2-O 3.32Å; L286-G290 WeakPolarHBondContact CD2-O 3.46Å; L286-K292 HydrophobicContact CD1-CG 4.4Å; L286-K292 HydrophobicContact CD2-CB 4.42Å; L286-K292 HydrophobicContact CD2-CG 3.8Å; L286-T295 HydrophobicContact CD2-CG2 4.41Å; L286-T295 HydrophobicContact CG-CG2 4.46Å
287	L	98.2	Very high	97.2	Very high	36 Å²	36	43.5 Å²	43.5	19%	0.188	24%	0.242	C	C	.	.	H	α-helix	trans	-62.8	-28.2	176.4	-71.8	174.3	0	0	0	112.4	E283 L284 G289 R404 F405	E283-L287 HydrophobicContact CG-CD1 4.43Å; E283-L287 WeakPolarHBondContact O-CG 3.44Å; E283-L287 PolarHBondContact O-N 3.27Å; L284-L287 HydrophobicContact CD2-CD1 4.11Å; L284-L287 PolarHBondContact O-N 3.01Å; L287-G289 VanDerWaalsContact C-N 3.31Å; L287-R404 HydrophobicContact CD1-CB 3.84Å; L287-R404 HydrophobicContact CD2-CB 3.8Å; L287-R404 HydrophobicContact CD2-CG 4.42Å; L287-F405 HydrophobicContact CB-CE1 4.04Å; L287-F405 HydrophobicContact CB-CE2 4.14Å; L287-F405 HydrophobicContact CB-CZ 3.66Å; L287-F405 HydrophobicContact CD1-CD1 4.33Å; L287-F405 HydrophobicContact CD1-CD2 4.25Å; L287-F405 HydrophobicContact CD1-CE1 4.35Å; L287-F405 HydrophobicContact CD1-CE2 4.28Å; L287-F405 HydrophobicContact CD1-CG 4.26Å; L287-F405 HydrophobicContact CD1-CZ 4.32Å
288	L	98.1	Very high	97.2	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	9.2	176.7	-65.9	168.8	0	0	0	113.7	A193 L196 M197 I200 W206 T209 L284 G285 L286 V394 F405	A193-L288 HydrophobicContact CB-CD2 4.34Å; L196-L288 HydrophobicContact CB-CD2 4.39Å; L196-L288 HydrophobicContact CD2-CD1 4.32Å; L196-L288 HydrophobicContact CD2-CD2 3.99Å; L196-L288 HydrophobicContact CG-CD2 4.16Å; M197-L288 HydrophobicContact CG-CD2 3.9Å; I200-L288 HydrophobicContact CD1-CD1 4.31Å; W206-L288 HydrophobicContact CH2-CD1 4.05Å; W206-L288 HydrophobicContact CZ2-CB 4.18Å; W206-L288 HydrophobicContact CZ2-CD1 3.84Å; T209-L288 WeakPolarHBondContact CG2-O 3.43Å; L284-L288 WeakPolarHBondContact O-CB 3.35Å; L284-L288 VanDerWaalsContact O-CG 3.29Å; L284-L288 WeakPolarHBondContact O-CG 3.35Å; L284-L288 PolarHBondContact O-N 3.11Å; G285-L288 PolarHBondContact O-N 2.8Å; L286-L288 PolarHBondContact O-N 2.83Å; L288-V394 HydrophobicContact CD1-CB 4.45Å; L288-V394 HydrophobicContact CD1-CG1 3.8Å; L288-V394 HydrophobicContact CD1-CG2 3.71Å; L288-F405 HydrophobicContact CD2-CE1 4.04Å; L288-F405 HydrophobicContact CD2-CZ 3.94Å; L288-F405 HydrophobicContact CG-CE1 4.06Å; L288-F405 HydrophobicContact CG-CZ 4.22Å
289	G	96.7	Very high	97.2	Very high	49 Å²	49	43.9 Å²	43.9	51%	0.505	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	99.7	11.8	173.3	0	0	0	0	0	115.6	G285 L286 L287	G285-G289 PolarHBondContact O-N 2.9Å; L286-G289 PolarHBondContact O-N 3.32Å; L286-G289 VanDerWaalsContact O-N 3.09Å; L287-G289 VanDerWaalsContact C-N 3.31Å
290	G	97.6	Very high	97.2	Very high	12 Å²	12	44.2 Å²	44.2	12%	0.124	24%	0.243	C	C	.	.			trans	-69	150.1	178.4	0	0	0	0	0	114.7	I208 G285 L286	I208-G290 WeakPolarHBondContact O-CA 3.49Å; G285-G290 WeakPolarHBondContact O-CA 3.31Å; G285-G290 PolarHBondContact O-N 3.38Å; L286-G290 VanDerWaalsContact CD2-O 3.32Å; L286-G290 WeakPolarHBondContact CD2-O 3.46Å
291	D	94.8	Very high	97.2	Very high	85 Å²	85	48.4 Å²	48.4	46%	0.455	26%	0.263	S	S	.	.			trans	-75.6	138.8	174	176.4	71.7	0	0	0	111.9	N293 S294 T295	D291-N293 VanDerWaalsContact C-N 3.3Å; D291-N293 PolarHBondContact O-N 2.88Å; D291-N293 WeakPolarHBondContact OD2-CA 3.44Å; D291-N293 VanDerWaalsContact OD2-CB 3.28Å; D291-N293 WeakPolarHBondContact OD2-CB 3.33Å; D291-N293 PolarHBondContact OD2-N 3.16Å; D291-S294 PolarHBondContact O-N 3.31Å; D291-S294 PolarHBondContact OD2-N 3.5Å; D291-T295 PolarHBondContact N-OG1 3.22Å; D291-T295 WeakPolarHBondContact O-CB 3.2Å; D291-T295 PolarHBondContact O-N 3.2Å; D291-T295 PolarHBondContact O-OG1 2.87Å
292	K	90.9	Very high	97.2	Very high	171 Å²	171	48.4 Å²	48.4	74%	0.743	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-31.3	-176.9	-74.5	-175.5	178.9	-179.4	0	114.1	L286	L286-K292 HydrophobicContact CD1-CG 4.4Å; L286-K292 HydrophobicContact CD2-CB 4.42Å; L286-K292 HydrophobicContact CD2-CG 3.8Å
293	N	91.3	Very high	97.2	Very high	150 Å²	150	48 Å²	48	80%	0.802	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-30.6	-175.5	-58.8	-46.4	0	0	0	112.2	D291	D291-N293 VanDerWaalsContact C-N 3.3Å; D291-N293 PolarHBondContact O-N 2.88Å; D291-N293 WeakPolarHBondContact OD2-CA 3.44Å; D291-N293 VanDerWaalsContact OD2-CB 3.28Å; D291-N293 WeakPolarHBondContact OD2-CB 3.33Å; D291-N293 PolarHBondContact OD2-N 3.16Å
294	S	96.1	Very high	97.3	Very high	47 Å²	47	49.4 Å²	49.4	33%	0.329	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98	-33.2	-177.2	68.6	0	0	0	0	113.9	D291 R296 G297 Q298	D291-S294 PolarHBondContact O-N 3.31Å; D291-S294 PolarHBondContact OD2-N 3.5Å; S294-R296 VanDerWaalsContact C-N 3.31Å; S294-R296 PolarHBondContact O-N 2.89Å; S294-G297 PolarHBondContact O-N 3.06Å; S294-Q298 PolarHBondContact O-N 3.27Å; S294-Q298 VanDerWaalsContact O-N 3.09Å
295	T	98	Very high	97.3	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.006	27%	0.271	C	S	.	.	H	α-helix	trans	-55.6	-43.1	-171.5	-62.8	0	0	0	0	112.1	V282 L286 D291 G297 Q298 M299	V282-T295 HydrophobicContact CG1-CG2 4.37Å; L286-T295 HydrophobicContact CD2-CG2 4.41Å; L286-T295 HydrophobicContact CG-CG2 4.46Å; D291-T295 PolarHBondContact N-OG1 3.22Å; D291-T295 WeakPolarHBondContact O-CB 3.2Å; D291-T295 PolarHBondContact O-N 3.2Å; D291-T295 PolarHBondContact O-OG1 2.87Å; T295-G297 PolarHBondContact O-N 3.18Å; T295-Q298 PolarHBondContact O-N 3.19Å; T295-M299 HydrophobicContact CG2-CE 4.39Å; T295-M299 HydrophobicContact CG2-CG 4.06Å; T295-M299 WeakPolarHBondContact O-CB 3.28Å; T295-M299 VanDerWaalsContact O-CG 3.31Å; T295-M299 WeakPolarHBondContact O-CG 3.22Å; T295-M299 PolarHBondContact O-N 3.4Å
296	R	97.9	Very high	97.3	Very high	110 Å²	110	49.9 Å²	49.9	42%	0.415	27%	0.271	S	S	.	.	H	α-helix	trans	-62.7	-41.5	179.4	-171.8	171.1	-165.7	91	1.1	113.2	D279 V282 S294 Q298 Q300	D279-R296 IonicContact OD1-CZ 2.99Å; D279-R296 IonicContact OD1-NH1 3.6Å; D279-R296 PolarHBondContact OD1-NH1 3.11Å; D279-R296 IonicContact OD1-NH2 3.5Å; D279-R296 PolarHBondContact OD1-NH2 3.1Å; V282-R296 HydrophobicContact CG2-CB 3.95Å; V282-R296 HydrophobicContact CG2-CG 3.98Å; S294-R296 VanDerWaalsContact C-N 3.31Å; S294-R296 PolarHBondContact O-N 2.89Å; R296-Q298 VanDerWaalsContact C-N 3.34Å; R296-Q300 WeakPolarHBondContact O-CB 3.46Å; R296-Q300 PolarHBondContact O-N 2.73Å
297	G	98.1	Very high	97.3	Very high	40 Å²	40	49 Å²	49	41%	0.412	27%	0.269	S	S	.	.	H	α-helix	trans	-67.4	-35.5	177.6	0	0	0	0	0	112.6	S294 T295 Q301	S294-G297 PolarHBondContact O-N 3.06Å; T295-G297 PolarHBondContact O-N 3.18Å; G297-Q301 WeakPolarHBondContact O-CG 3.34Å; G297-Q301 PolarHBondContact O-N 2.95Å; G297-Q301 PolarHBondContact O-NE2 3.12Å
298	Q	98.2	Very high	97.3	Very high	17 Å²	17	49.2 Å²	49.2	8%	0.079	28%	0.275	C	S	.	.	H	α-helix	trans	-71.6	-44.1	176	-64.8	-167.6	62.1	0	0	112	N207 I208 S294 T295 R296 Q300 Q301 I302 N387	N207-Q298 VanDerWaalsContact C-OE1 3.24Å; N207-Q298 VanDerWaalsContact CB-OE1 3.27Å; N207-Q298 PolarHBondContact ND2-OE1 3.33Å; N207-Q298 PolarHBondContact O-NE2 2.87Å; N207-Q298 PolarHBondContact O-OE1 2.72Å; I208-Q298 HydrophobicContact CD1-CB 3.53Å; I208-Q298 HydrophobicContact CD1-CG 4.24Å; S294-Q298 PolarHBondContact O-N 3.27Å; S294-Q298 VanDerWaalsContact O-N 3.09Å; T295-Q298 PolarHBondContact O-N 3.19Å; R296-Q298 VanDerWaalsContact C-N 3.34Å; Q298-Q300 VanDerWaalsContact C-N 3.3Å; Q298-Q300 PolarHBondContact O-N 3.28Å; Q298-Q301 WeakPolarHBondContact O-CB 3.43Å; Q298-Q301 PolarHBondContact O-N 3.39Å; Q298-Q301 VanDerWaalsContact O-N 3.15Å; Q298-I302 PolarHBondContact O-N 2.64Å; Q298-N387 PolarHBondContact OE1-ND2 2.96Å
299	M	98.4	Very high	97.3	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-65.7	-33	176.6	-66.6	-56.5	176.9	0	0	112.4	W206 I208 L278 M281 V282 T295 Q301 I302 L303 W391	W206-M299 HydrophobicContact CH2-CE 4Å; W206-M299 HydrophobicContact CZ3-CE 4.18Å; I208-M299 HydrophobicContact CD1-CE 3.69Å; I208-M299 HydrophobicContact CD1-SD 4.41Å; I208-M299 HydrophobicContact CG1-CE 3.92Å; L278-M299 HydrophobicContact CD1-CB 3.96Å; M281-M299 HydrophobicContact CB-CB 3.83Å; M281-M299 HydrophobicContact CB-CG 3.85Å; M281-M299 HydrophobicContact CB-SD 3.87Å; M281-M299 HydrophobicContact CE-CB 4.3Å; M281-M299 VanDerWaalsContact CE-O 3.28Å; M281-M299 WeakPolarHBondContact CE-O 3.46Å; M281-M299 HydrophobicContact CE-SD 4.23Å; M281-M299 WeakPolarHBondContact O-CE 3.46Å; V282-M299 HydrophobicContact CG2-CB 4Å; V282-M299 HydrophobicContact CG2-CG 4.19Å; T295-M299 HydrophobicContact CG2-CE 4.39Å; T295-M299 HydrophobicContact CG2-CG 4.06Å; T295-M299 WeakPolarHBondContact O-CB 3.28Å; T295-M299 VanDerWaalsContact O-CG 3.31Å; T295-M299 WeakPolarHBondContact O-CG 3.22Å; T295-M299 PolarHBondContact O-N 3.4Å; M299-Q301 VanDerWaalsContact C-N 3.35Å; M299-I302 PolarHBondContact O-N 3.5Å; M299-I302 HydrophobicContact SD-CD1 3.78Å; M299-L303 PolarHBondContact O-N 3.48Å; M299-W391 HydrophobicContact CE-CE3 4.49Å
300	Q	98.4	Very high	97.4	Very high	69 Å²	69	46.9 Å²	46.9	32%	0.322	25%	0.251	S	S	.	.	H	α-helix	trans	-61.4	-42.5	171.5	-176.6	65	63	0	0	111.7	L278 R296 Q298 I302 L303 D304	L278-Q300 HydrophobicContact CD1-CB 4.34Å; R296-Q300 WeakPolarHBondContact O-CB 3.46Å; R296-Q300 PolarHBondContact O-N 2.73Å; Q298-Q300 VanDerWaalsContact C-N 3.3Å; Q298-Q300 PolarHBondContact O-N 3.28Å; Q300-I302 VanDerWaalsContact C-N 3.3Å; Q300-I302 PolarHBondContact O-N 2.76Å; Q300-L303 WeakPolarHBondContact O-CB 3.43Å; Q300-L303 PolarHBondContact O-N 3.2Å; Q300-L303 VanDerWaalsContact O-N 3.16Å; Q300-D304 PolarHBondContact NE2-OD1 3.32Å; Q300-D304 PolarHBondContact O-N 3.14Å
301	Q	98.6	Very high	97.5	Very high	94 Å²	94	51.5 Å²	51.5	44%	0.439	27%	0.273	S	S	.	.	H	α-helix	trans	-63.6	-37.1	177.5	-70.7	167.6	77.4	0	0	112.1	G297 Q298 M299 D304 F305 L384	G297-Q301 WeakPolarHBondContact O-CG 3.34Å; G297-Q301 PolarHBondContact O-N 2.95Å; G297-Q301 PolarHBondContact O-NE2 3.12Å; Q298-Q301 WeakPolarHBondContact O-CB 3.43Å; Q298-Q301 PolarHBondContact O-N 3.39Å; Q298-Q301 VanDerWaalsContact O-N 3.15Å; M299-Q301 VanDerWaalsContact C-N 3.35Å; Q301-D304 PolarHBondContact O-N 2.99Å; Q301-F305 WeakPolarHBondContact O-CB 3.47Å; Q301-F305 PolarHBondContact O-N 2.98Å; Q301-L384 HydrophobicContact CB-CD1 3.71Å; Q301-L384 HydrophobicContact CB-CD2 4.24Å
302	I	98.8	Very high	97.6	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-64.2	-43.3	173.8	-61	175.4	0	0	0	110.3	M281 Q298 M299 Q300 D304 F305 E306 L384 N387 Y388 W391	M281-I302 HydrophobicContact CE-CB 3.58Å; M281-I302 HydrophobicContact CE-CG2 3.48Å; M281-I302 VanDerWaalsContact CE-CG2 3.48Å; Q298-I302 PolarHBondContact O-N 2.64Å; M299-I302 PolarHBondContact O-N 3.5Å; M299-I302 HydrophobicContact SD-CD1 3.78Å; Q300-I302 VanDerWaalsContact C-N 3.3Å; Q300-I302 PolarHBondContact O-N 2.76Å; I302-D304 PolarHBondContact O-N 3.44Å; I302-F305 WeakPolarHBondContact O-CB 3.4Å; I302-F305 PolarHBondContact O-N 3.48Å; I302-E306 PolarHBondContact O-N 2.89Å; I302-L384 HydrophobicContact CG1-CD1 4.14Å; I302-N387 HydrophobicContact CD1-CB 3.97Å; I302-N387 HydrophobicContact CG1-CB 4.22Å; I302-Y388 HydrophobicContact CG2-CD2 4.05Å; I302-W391 HydrophobicContact CD1-CB 4.1Å; I302-W391 HydrophobicContact CD1-CG 4.42Å; I302-W391 HydrophobicContact CG2-CB 4.36Å; I302-W391 HydrophobicContact CG2-CG 4.09Å
303	L	98.6	Very high	98	Very high	11 Å²	11	41 Å²	41	6%	0.058	23%	0.225	C	C	.	.	H	α-helix	trans	-63.6	-40.5	176.6	179.5	59.4	0	0	0	112.3	Y265 L274 Y277 L278 M281 M299 Q300 F305 E306 T307	Y265-L303 HydrophobicContact CD1-CD1 4.21Å; Y265-L303 HydrophobicContact CE1-CD1 3.98Å; L274-L303 HydrophobicContact CD2-CD1 4.14Å; Y277-L303 HydrophobicContact CD1-CD1 3.75Å; Y277-L303 HydrophobicContact CE1-CD1 3.99Å; L278-L303 HydrophobicContact CB-CD2 4.02Å; L278-L303 HydrophobicContact CD1-CD2 4.44Å; M281-L303 HydrophobicContact CE-CB 4.43Å; M281-L303 HydrophobicContact SD-CB 4.25Å; M299-L303 PolarHBondContact O-N 3.48Å; Q300-L303 WeakPolarHBondContact O-CB 3.43Å; Q300-L303 PolarHBondContact O-N 3.2Å; Q300-L303 VanDerWaalsContact O-N 3.16Å; L303-F305 VanDerWaalsContact C-N 3.31Å; L303-E306 PolarHBondContact O-N 2.7Å; L303-T307 WeakPolarHBondContact O-CB 3.43Å; L303-T307 PolarHBondContact O-N 2.91Å; L303-T307 PolarHBondContact O-OG1 2.72Å
304	D	98.5	Very high	98.3	Very high	87 Å²	87	35.7 Å²	35.7	47%	0.465	20%	0.198	S	C	.	.	H	α-helix	trans	-64.3	-39.2	176.1	-63.9	-18.2	0	0	0	110.6	Q300 Q301 I302 T307 A308	Q300-D304 PolarHBondContact NE2-OD1 3.32Å; Q300-D304 PolarHBondContact O-N 3.14Å; Q301-D304 PolarHBondContact O-N 2.99Å; I302-D304 PolarHBondContact O-N 3.44Å; D304-T307 PolarHBondContact O-N 3.34Å; D304-A308 PolarHBondContact O-N 3.36Å
305	F	98.8	Very high	98.2	Very high	9 Å²	9	34.8 Å²	34.8	4%	0.039	19%	0.191	C	C	.	.	H	α-helix	trans	-64	-47.4	173.6	-174.5	-86.9	0	0	0	112	F233 Q301 I302 L303 T307 A308 L309 L376 T380 L385 Y388	F233-F305 HydrophobicContact CD1-CE1 4.01Å; F233-F305 AromaticContact CD1-CZ 3.98Å; F233-F305 HydrophobicContact CD1-CZ 3.98Å; F233-F305 AromaticContact CE1-CE1 3.68Å; F233-F305 HydrophobicContact CE1-CE1 3.68Å; F233-F305 AromaticContact CE1-CZ 3.55Å; F233-F305 HydrophobicContact CE1-CZ 3.55Å; Q301-F305 WeakPolarHBondContact O-CB 3.47Å; Q301-F305 PolarHBondContact O-N 2.98Å; I302-F305 WeakPolarHBondContact O-CB 3.4Å; I302-F305 PolarHBondContact O-N 3.48Å; L303-F305 VanDerWaalsContact C-N 3.31Å; F305-T307 PolarHBondContact O-N 3.29Å; F305-A308 WeakPolarHBondContact O-CB 3.49Å; F305-A308 PolarHBondContact O-N 3.05Å; F305-L309 PolarHBondContact O-N 3.35Å; F305-L376 HydrophobicContact CD2-CD2 4.5Å; F305-L376 HydrophobicContact CE1-CD2 4.39Å; F305-L376 HydrophobicContact CE2-CD1 4.17Å; F305-L376 HydrophobicContact CE2-CD2 3.85Å; F305-L376 HydrophobicContact CE2-CG 3.7Å; F305-L376 HydrophobicContact CZ-CD2 3.77Å; F305-L376 HydrophobicContact CZ-CG 3.97Å; F305-T380 HydrophobicContact CD2-CG2 3.96Å; F305-T380 HydrophobicContact CE2-CG2 3.91Å; F305-L385 HydrophobicContact CE2-CD2 4.03Å; F305-L385 HydrophobicContact CZ-CD2 4.1Å; F305-Y388 HydrophobicContact CD1-CD1 4.05Å; F305-Y388 AromaticContact CD1-CD2 3.94Å; F305-Y388 HydrophobicContact CD1-CD2 3.94Å; F305-Y388 HydrophobicContact CD1-CE1 4.27Å; F305-Y388 HydrophobicContact CD1-CE2 4.2Å; F305-Y388 AromaticContact CD1-CG 3.86Å; F305-Y388 HydrophobicContact CD1-CG 3.86Å; F305-Y388 AromaticContact CE1-CD1 3.71Å; F305-Y388 HydrophobicContact CE1-CD1 3.71Å; F305-Y388 HydrophobicContact CE1-CD2 4.37Å; F305-Y388 AromaticContact CE1-CE1 3.74Å; F305-Y388 HydrophobicContact CE1-CE1 3.74Å; F305-Y388 HydrophobicContact CE1-CE2 4.42Å; F305-Y388 HydrophobicContact CE1-CG 4.02Å
306	E	98.7	Very high	97.8	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-60.7	-35.1	174.3	-76.7	-171.4	-168.2	0	0	112	L257 Y265 Y277 I302 L303 L309 A310 Y388	L257-E306 HydrophobicContact CD2-CB 4.42Å; L257-E306 VanDerWaalsContact CD2-O 3.32Å; L257-E306 WeakPolarHBondContact CD2-O 3.41Å; Y265-E306 HydrophobicContact CD1-CB 4.34Å; Y265-E306 HydrophobicContact CE1-CB 3.66Å; Y265-E306 WeakPolarHBondContact CE1-OE2 3.21Å; Y265-E306 PolarHBondContact OH-OE2 3.28Å; Y277-E306 VanDerWaalsContact CE1-OE2 3.3Å; Y277-E306 WeakPolarHBondContact CE1-OE2 3.46Å; Y277-E306 PolarHBondContact OH-OE1 3.32Å; Y277-E306 PolarHBondContact OH-OE2 3.36Å; I302-E306 PolarHBondContact O-N 2.89Å; L303-E306 PolarHBondContact O-N 2.7Å; E306-L309 WeakPolarHBondContact O-CB 3.37Å; E306-L309 PolarHBondContact O-N 2.95Å; E306-A310 WeakPolarHBondContact O-CB 3.29Å; E306-A310 PolarHBondContact O-N 3.49Å; E306-Y388 HydrophobicContact CG-CD2 4.12Å; E306-Y388 HydrophobicContact CG-CE2 3.66Å
307	T	98.6	Very high	97.5	Very high	42 Å²	42	37.4 Å²	37.4	26%	0.258	21%	0.21	S	C	.	.	H	α-helix	trans	-67.2	-40.5	175.9	-56.2	0	0	0	0	111.5	L266 L303 D304 F305 L309 A310 N311	L266-T307 HydrophobicContact CD2-CG2 4.46Å; L303-T307 WeakPolarHBondContact O-CB 3.43Å; L303-T307 PolarHBondContact O-N 2.91Å; L303-T307 PolarHBondContact O-OG1 2.72Å; D304-T307 PolarHBondContact O-N 3.34Å; F305-T307 PolarHBondContact O-N 3.29Å; T307-L309 VanDerWaalsContact C-N 3.32Å; T307-A310 PolarHBondContact O-N 3.25Å; T307-N311 PolarHBondContact O-N 3.3Å; T307-N311 VanDerWaalsContact O-N 3.07Å
308	A	98.6	Very high	97.2	Very high	39 Å²	39	41.9 Å²	41.9	32%	0.322	22%	0.22	S	C	.	.	H	α-helix	trans	-63	-41	172.4	0	0	0	0	0	111.3	D304 F305 N311 I312 L376	D304-A308 PolarHBondContact O-N 3.36Å; F305-A308 WeakPolarHBondContact O-CB 3.49Å; F305-A308 PolarHBondContact O-N 3.05Å; A308-N311 PolarHBondContact O-N 3.4Å; A308-I312 WeakPolarHBondContact O-CG1 3.36Å; A308-I312 PolarHBondContact O-N 3.22Å; A308-L376 HydrophobicContact CB-CD1 4.34Å; A308-L376 HydrophobicContact CB-CD2 4.36Å
309	L	98.6	Very high	97.1	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-62.7	-45.4	175.3	-167.5	62.5	0	0	0	111.5	L257 F305 E306 T307 N311 I312 T313 Y369 V373 L376 Y388	L257-L309 HydrophobicContact CD2-CB 4.09Å; L257-L309 HydrophobicContact CD2-CD2 4.19Å; L257-L309 HydrophobicContact CD2-CG 4.22Å; F305-L309 PolarHBondContact O-N 3.35Å; E306-L309 WeakPolarHBondContact O-CB 3.37Å; E306-L309 PolarHBondContact O-N 2.95Å; T307-L309 VanDerWaalsContact C-N 3.32Å; L309-N311 VanDerWaalsContact C-N 3.26Å; L309-N311 PolarHBondContact O-N 3.41Å; L309-I312 CarbonylContact O-C 3.55Å; L309-I312 WeakPolarHBondContact O-CA 3.45Å; L309-I312 WeakPolarHBondContact O-CB 3Å; L309-I312 PolarHBondContact O-N 3.22Å; L309-T313 PolarHBondContact O-N 2.81Å; L309-T313 PolarHBondContact O-OG1 2.93Å; L309-Y369 HydrophobicContact CD1-CE2 4.17Å; L309-Y369 WeakPolarHBondContact CD1-OH 3.41Å; L309-V373 HydrophobicContact CD1-CG2 3.6Å; L309-L376 HydrophobicContact CD1-CD2 4.38Å; L309-Y388 WeakPolarHBondContact CD2-OH 3.37Å
310	A	98.5	Very high	96.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-60.8	-35	177.7	0	0	0	0	0	112.7	L257 R262 Y265 E306 T307 I312 T313	L257-A310 HydrophobicContact CD1-CB 3.82Å; L257-A310 HydrophobicContact CD2-CB 3.89Å; R262-A310 HydrophobicContact CB-CB 4.12Å; R262-A310 PolarHBondContact NE-O 3.34Å; R262-A310 PolarHBondContact NH2-O 3.32Å; Y265-A310 HydrophobicContact CD2-CB 3.83Å; Y265-A310 HydrophobicContact CG-CB 3.81Å; E306-A310 WeakPolarHBondContact O-CB 3.29Å; E306-A310 PolarHBondContact O-N 3.49Å; T307-A310 PolarHBondContact O-N 3.25Å; A310-I312 VanDerWaalsContact C-N 3.27Å; A310-I312 PolarHBondContact O-N 2.8Å; A310-T313 WeakPolarHBondContact O-CB 3.33Å; A310-T313 PolarHBondContact O-N 3.1Å
311	N	98.3	Very high	96.7	Very high	109 Å²	109	41.9 Å²	41.9	58%	0.583	22%	0.219	S	C	*	.	H	α-helix	trans	-65.1	-33.1	174.2	-171	65	0	0	0	112.2	R262 L266 T307 A308 L309	R262-N311 PolarHBondContact NH2-O 3.02Å; L266-N311 HydrophobicContact CD2-CB 4.12Å; T307-N311 PolarHBondContact O-N 3.3Å; T307-N311 VanDerWaalsContact O-N 3.07Å; A308-N311 PolarHBondContact O-N 3.4Å; L309-N311 VanDerWaalsContact C-N 3.26Å; L309-N311 PolarHBondContact O-N 3.41Å
312	I	98.6	Very high	96.5	Very high	22 Å²	22	38.6 Å²	38.6	11%	0.113	20%	0.204	C	C	.	.	H	α-helix	trans	-80	-33.1	177.2	-61.3	163.6	0	0	0	111.6	A308 L309 A310 V314 Y369 Q372 V373 L376	A308-I312 WeakPolarHBondContact O-CG1 3.36Å; A308-I312 PolarHBondContact O-N 3.22Å; L309-I312 CarbonylContact O-C 3.55Å; L309-I312 WeakPolarHBondContact O-CA 3.45Å; L309-I312 WeakPolarHBondContact O-CB 3Å; L309-I312 PolarHBondContact O-N 3.22Å; A310-I312 VanDerWaalsContact C-N 3.27Å; A310-I312 PolarHBondContact O-N 2.8Å; I312-V314 PolarHBondContact O-N 3.43Å; I312-Y369 HydrophobicContact CB-CD2 4.42Å; I312-Y369 HydrophobicContact CG2-CD2 3.67Å; I312-Y369 HydrophobicContact CG2-CE2 4.18Å; I312-Y369 HydrophobicContact CG2-CG 4.32Å; I312-Q372 HydrophobicContact CB-CB 4.43Å; I312-Q372 HydrophobicContact CD1-CB 4.07Å; I312-Q372 HydrophobicContact CG1-CB 4.1Å; I312-Q372 HydrophobicContact CG2-CB 3.42Å; I312-Q372 VanDerWaalsContact CG2-CB 3.42Å; I312-Q372 HydrophobicContact CG2-CG 4.32Å; I312-V373 HydrophobicContact CG2-CG2 4.33Å; I312-L376 HydrophobicContact CD1-CB 4.33Å; I312-L376 HydrophobicContact CD1-CD2 3.92Å
313	T	98.6	Very high	96.2	Very high	14 Å²	14	43.5 Å²	43.5	9%	0.086	23%	0.226	C	C	.	.	S	Bend	trans	-54.4	129.5	178.3	-58	0	0	0	0	111.7	Q254 L257 R262 L309 A310	Q254-T313 HydrophobicContact CG-CG2 4.37Å; L257-T313 HydrophobicContact CD1-CG2 4.4Å; R262-T313 HydrophobicContact CB-CG2 4.36Å; R262-T313 PolarHBondContact NE-O 3.28Å; L309-T313 PolarHBondContact O-N 2.81Å; L309-T313 PolarHBondContact O-OG1 2.93Å; A310-T313 WeakPolarHBondContact O-CB 3.33Å; A310-T313 PolarHBondContact O-N 3.1Å
314	V	97.5	Very high	96.1	Very high	38 Å²	38	50 Å²	50	23%	0.23	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-73.1	133.4	178.9	-174.2	0	0	0	0	109.7	Q254 I312 E318 R319 A366	Q254-V314 PolarHBondContact NE2-O 3.46Å; Q254-V314 VanDerWaalsContact OE1-N 3.15Å; I312-V314 PolarHBondContact O-N 3.43Å; V314-E318 HydrophobicContact CG1-CB 4.06Å; V314-R319 HydrophobicContact CB-CG 4.14Å; V314-R319 HydrophobicContact CG1-CG 3.77Å; V314-A366 HydrophobicContact CG2-CB 4.28Å
315	P	94.3	Very high	96	Very high	28 Å²	28	46.8 Å²	46.8	18%	0.182	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-57.7	148.4	176.3	-24.2	34.5	0	0	0	113.7	D317 E318 R319	P315-D317 WeakPolarHBondContact CB-OD1 2.99Å; P315-D317 PolarHBondContact O-N 3.38Å; P315-E318 HydrophobicContact CB-CG 4.33Å; P315-E318 PolarHBondContact O-N 2.96Å; P315-R319 WeakPolarHBondContact O-CG 3.08Å; P315-R319 PolarHBondContact O-N 3.39Å
316	Q	89.9	Confident	96	Very high	114 Å²	114	47.1 Å²	47.1	53%	0.533	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-65.7	-35.8	-173.9	-171.7	63.5	20.8	0	0	113.3	E318 R319	Q316-E318 VanDerWaalsContact C-N 3.3Å; Q316-E318 PolarHBondContact O-N 3.37Å; Q316-R319 PolarHBondContact O-N 2.91Å
317	D	90.3	Very high	95.9	Very high	53 Å²	53	49.6 Å²	49.6	28%	0.283	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	-72.2	-22.4	178.6	57.6	-13.3	0	0	0	113.2	P315 R319 N655 K657 Q658	P315-D317 WeakPolarHBondContact CB-OD1 2.99Å; P315-D317 PolarHBondContact O-N 3.38Å; D317-R319 VanDerWaalsContact C-N 3.3Å; D317-N655 PolarHBondContact OD2-ND2 2.81Å; D317-N655 VanDerWaalsContact OD2-ND2 3.15Å; D317-K657 HydrophobicContact CB-CB 4.25Å; D317-Q658 HydrophobicContact CB-CB 4.31Å
318	E	93.3	Very high	95.9	Very high	134 Å²	134	52 Å²	52	63%	0.626	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-80.7	-10	171.4	-65.1	-175.1	-167.1	0	0	113.2	V314 P315 Q316	V314-E318 HydrophobicContact CG1-CB 4.06Å; P315-E318 HydrophobicContact CB-CG 4.33Å; P315-E318 PolarHBondContact O-N 2.96Å; Q316-E318 VanDerWaalsContact C-N 3.3Å; Q316-E318 PolarHBondContact O-N 3.37Å
319	R	94.6	Very high	95.9	Very high	22 Å²	22	51.3 Å²	51.3	8%	0.083	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-102.5	14.2	-177.7	-65.9	176.3	57.5	91.1	15.3	114.1	D253 V314 P315 Q316 D317	D253-R319 IonicContact OD1-CZ 2.7Å; D253-R319 VanDerWaalsContact OD1-CZ 3.31Å; D253-R319 IonicContact OD1-NH1 2.71Å; D253-R319 PolarHBondContact OD1-NH1 3.45Å; D253-R319 IonicContact OD1-NH2 2.63Å; D253-R319 PolarHBondContact OD1-NH2 3.09Å; D253-R319 IonicContact OD2-CZ 3.7Å; D253-R319 IonicContact OD2-NH1 3.61Å; D253-R319 IonicContact OD2-NH2 2.86Å; D253-R319 PolarHBondContact OD2-NH2 3.36Å; V314-R319 HydrophobicContact CB-CG 4.14Å; V314-R319 HydrophobicContact CG1-CG 3.77Å; P315-R319 WeakPolarHBondContact O-CG 3.08Å; P315-R319 PolarHBondContact O-N 3.39Å; Q316-R319 PolarHBondContact O-N 2.91Å; D317-R319 VanDerWaalsContact C-N 3.3Å
320	R	93.6	Very high	96	Very high	26 Å²	26	53.1 Å²	53.1	10%	0.098	26%	0.258	C	S	.	.			trans	-85.7	-12.1	-177.8	-63.6	-169.6	63.2	74.6	13.8	114.5	D610 Q611 K657 Q658	R320-D610 IonicContact CZ-OD1 2.66Å; R320-D610 IonicContact CZ-OD2 3.98Å; R320-D610 IonicContact NE-OD1 2.63Å; R320-D610 IonicContact NE-OD2 3.58Å; R320-D610 PolarHBondContact NE-OD2 3.22Å; R320-D610 IonicContact NH2-OD1 2.9Å; R320-D610 PolarHBondContact NH2-OD1 3.29Å; R320-D610 IonicContact NH2-OD2 3.56Å; R320-D610 PolarHBondContact NH2-OD2 3.04Å; R320-D610 VanDerWaalsContact NH2-OD2 3.11Å; R320-Q611 WeakPolarHBondContact O-CG 3.47Å; R320-Q611 PolarHBondContact O-NE2 2.57Å; R320-K657 WeakPolarHBondContact CD-O 3.44Å; R320-Q658 PolarHBondContact NH1-O 2.8Å
321	D	94.6	Very high	96	Very high	37 Å²	37	53.2 Å²	53.2	20%	0.198	26%	0.259	C	S	.	.			trans	-97.8	96.5	178.8	-175.2	-38.5	0	0	0	109.1	E323 K324 I325	D321-E323 VanDerWaalsContact C-N 3.29Å; D321-E323 PolarHBondContact O-N 3.29Å; D321-E323 PolarHBondContact OD1-N 3.41Å; D321-K324 HydrophobicContact CB-CB 4.16Å; D321-K324 HydrophobicContact CB-CD 4.1Å; D321-K324 HydrophobicContact CB-CG 4.29Å; D321-K324 PolarHBondContact O-N 2.87Å; D321-K324 WeakPolarHBondContact OD1-CG 3.46Å; D321-K324 PolarHBondContact OD1-N 2.97Å; D321-K324 VanDerWaalsContact OD2-CD 3.27Å; D321-K324 WeakPolarHBondContact OD2-CD 3.38Å; D321-K324 WeakPolarHBondContact OD2-CE 3.33Å; D321-K324 IonicContact OD2-NZ 2.67Å; D321-K324 PolarHBondContact OD2-NZ 3.17Å; D321-I325 WeakPolarHBondContact O-CG1 3.43Å; D321-I325 PolarHBondContact O-N 3.39Å; D321-I325 VanDerWaalsContact O-N 3.15Å
322	E	94.6	Very high	96	Very high	26 Å²	26	50 Å²	50	12%	0.121	25%	0.247	C	C	.	.	H	α-helix	trans	-65.2	-36.7	-173	-163.6	86.1	173	0	0	110.9	K324 I325 Y326 Y365 E614 Y615 L621	E322-K324 VanDerWaalsContact C-N 3.26Å; E322-K324 PolarHBondContact O-N 3.06Å; E322-I325 PolarHBondContact O-N 3.46Å; E322-Y326 WeakPolarHBondContact O-CB 3.1Å; E322-Y326 PolarHBondContact O-N 2.95Å; E322-Y365 WeakPolarHBondContact OE1-CE1 2.95Å; E322-E614 PolarHBondContact N-OE2 3.16Å; E322-Y615 VanDerWaalsContact CG-OH 3.26Å; E322-Y615 WeakPolarHBondContact CG-OH 3.4Å; E322-Y615 PolarHBondContact OE1-OH 3.14Å; E322-L621 HydrophobicContact CB-CD1 4.07Å; E322-L621 HydrophobicContact CB-CD2 4.26Å; E322-L621 HydrophobicContact CG-CD1 4.34Å; E322-L621 HydrophobicContact CG-CD2 3.83Å
323	E	93.8	Very high	96	Very high	102 Å²	102	52.9 Å²	52.9	48%	0.477	26%	0.263	S	S	.	.	H	α-helix	trans	-59	-38.5	176.4	-173.2	171.4	-159.6	0	0	112.2	D321 E614 L621	D321-E323 VanDerWaalsContact C-N 3.29Å; D321-E323 PolarHBondContact O-N 3.29Å; D321-E323 PolarHBondContact OD1-N 3.41Å; E323-E614 PolarHBondContact N-OE2 2.78Å; E323-E614 VanDerWaalsContact N-OE2 3.17Å; E323-L621 HydrophobicContact CB-CD1 4.49Å
324	K	95.1	Very high	96	Very high	147 Å²	147	52.2 Å²	52.2	64%	0.639	26%	0.259	S	S	*	.	H	α-helix	trans	-73.2	-42.4	177.2	-76.8	-178.3	-171.3	131.5	0	113.6	D321 E322 H327	D321-K324 HydrophobicContact CB-CB 4.16Å; D321-K324 HydrophobicContact CB-CD 4.1Å; D321-K324 HydrophobicContact CB-CG 4.29Å; D321-K324 PolarHBondContact O-N 2.87Å; D321-K324 WeakPolarHBondContact OD1-CG 3.46Å; D321-K324 PolarHBondContact OD1-N 2.97Å; D321-K324 VanDerWaalsContact OD2-CD 3.27Å; D321-K324 WeakPolarHBondContact OD2-CD 3.38Å; D321-K324 WeakPolarHBondContact OD2-CE 3.33Å; D321-K324 IonicContact OD2-NZ 2.67Å; D321-K324 PolarHBondContact OD2-NZ 3.17Å; E322-K324 VanDerWaalsContact C-N 3.26Å; E322-K324 PolarHBondContact O-N 3.06Å; K324-H327 PolarHBondContact O-CE1 2.89Å; K324-H327 PolarHBondContact O-NE2 2.69Å
325	I	96.9	Very high	96.1	Very high	21 Å²	21	53.4 Å²	53.4	11%	0.108	26%	0.262	C	S	.	.	H	α-helix	trans	-83.7	-18.3	-175.4	65.2	167.8	0	0	0	112.7	D321 E322 H327 Y365	D321-I325 WeakPolarHBondContact O-CG1 3.43Å; D321-I325 PolarHBondContact O-N 3.39Å; D321-I325 VanDerWaalsContact O-N 3.15Å; E322-I325 PolarHBondContact O-N 3.46Å; I325-H327 PolarHBondContact O-CD2 3.5Å; I325-H327 VanDerWaalsContact O-CD2 3.27Å; I325-H327 PolarHBondContact O-N 3.48Å; I325-H327 VanDerWaalsContact O-N 3.16Å; I325-Y365 WeakPolarHBondContact CB-O 3.43Å; I325-Y365 HydrophobicContact CD1-CD1 3.9Å; I325-Y365 HydrophobicContact CG1-CD1 4.03Å; I325-Y365 WeakPolarHBondContact O-CA 3.44Å
326	Y	98.1	Very high	96.3	Very high	15 Å²	15	57.8 Å²	57.8	6%	0.059	29%	0.288	C	S	.	.			trans	-68.1	114.2	176.6	-179.3	-83.3	0	0	0	111.5	D241 P242 K243 E322 K328 V363 L621	D241-Y326 WeakPolarHBondContact OD1-CE2 3.29Å; D241-Y326 PolarHBondContact OD1-OH 3.42Å; P242-Y326 HydrophobicContact CB-CD2 3.79Å; P242-Y326 HydrophobicContact CB-CE2 3.86Å; P242-Y326 HydrophobicContact CG-CD2 3.85Å; P242-Y326 HydrophobicContact CG-CE2 3.94Å; K243-Y326 HydrophobicContact CB-CE1 4.35Å; K243-Y326 HydrophobicContact CB-CE2 4.45Å; K243-Y326 HydrophobicContact CD-CD1 3.82Å; K243-Y326 HydrophobicContact CD-CE1 3.49Å; K243-Y326 VanDerWaalsContact CD-CE1 3.49Å; K243-Y326 VanDerWaalsContact CE-CD1 3.49Å; K243-Y326 HydrophobicContact CG-CD1 4.09Å; K243-Y326 HydrophobicContact CG-CD2 4.45Å; K243-Y326 HydrophobicContact CG-CE1 3.69Å; K243-Y326 HydrophobicContact CG-CE2 4.04Å; K243-Y326 HydrophobicContact CG-CG 4.45Å; E322-Y326 WeakPolarHBondContact O-CB 3.1Å; E322-Y326 PolarHBondContact O-N 2.95Å; Y326-K328 HydrophobicContact CE1-CB 3.84Å; Y326-K328 WeakPolarHBondContact OH-CE 3.47Å; Y326-K328 PolarHBondContact OH-NZ 2.86Å; Y326-V363 HydrophobicContact CD2-CG1 3.83Å; Y326-V363 HydrophobicContact CD2-CG2 4.39Å; Y326-V363 HydrophobicContact CE2-CB 4.49Å; Y326-V363 HydrophobicContact CE2-CG1 3.94Å; Y326-V363 HydrophobicContact CE2-CG2 3.65Å; Y326-L621 HydrophobicContact CD2-CD2 4.33Å; Y326-L621 HydrophobicContact CG-CD2 4.18Å
327	H	98.5	Very high	96.7	Very high	52 Å²	52	53.8 Å²	53.8	24%	0.241	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	102.3	171.6	-49.4	-59	0	0	0	113.3	K324 I325 V363 V364 K367	K324-H327 PolarHBondContact O-CE1 2.89Å; K324-H327 PolarHBondContact O-NE2 2.69Å; I325-H327 PolarHBondContact O-CD2 3.5Å; I325-H327 VanDerWaalsContact O-CD2 3.27Å; I325-H327 PolarHBondContact O-N 3.48Å; I325-H327 VanDerWaalsContact O-N 3.16Å; H327-V363 WeakPolarHBondContact O-CA 3.35Å; H327-V364 WeakPolarHBondContact CB-O 3.49Å; H327-V364 PolarHBondContact CD2-O 3.48Å; H327-V364 PolarHBondContact N-O 3.45Å; H327-V364 PolarHBondContact O-N 2.82Å; H327-K367 HydrophobicContact CB-CD 4.19Å; H327-K367 HydrophobicContact CB-CG 4.41Å
328	K	98.5	Very high	97.1	Very high	92 Å²	92	51.4 Å²	51.4	40%	0.4	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	121.8	170.8	-175.2	177.7	-77.6	155.8	0	111	D241 Y326 P361 V362 V363	D241-K328 IonicContact OD1-NZ 2.77Å; D241-K328 WeakPolarHBondContact OD2-CE 3.42Å; D241-K328 IonicContact OD2-NZ 2.59Å; D241-K328 PolarHBondContact OD2-NZ 3.05Å; Y326-K328 HydrophobicContact CE1-CB 3.84Å; Y326-K328 WeakPolarHBondContact OH-CE 3.47Å; Y326-K328 PolarHBondContact OH-NZ 2.86Å; K328-P361 HydrophobicContact CD-CB 4.16Å; K328-P361 HydrophobicContact CG-CB 4.23Å; K328-V362 WeakPolarHBondContact CA-O 3.29Å; K328-V363 HydrophobicContact CB-CG2 4.38Å
329	I	98.6	Very high	97.3	Very high	25 Å²	25	48.7 Å²	48.7	13%	0.128	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	173	176	65.9	175.5	0	0	0	109.8	D333 L334 L337 V362 V364	I329-D333 HydrophobicContact CB-CB 3.89Å; I329-D333 HydrophobicContact CD1-CB 4.26Å; I329-D333 HydrophobicContact CG1-CB 4.4Å; I329-L334 HydrophobicContact CD1-CB 3.87Å; I329-L334 HydrophobicContact CD1-CD1 4.26Å; I329-L334 HydrophobicContact CG1-CB 4.49Å; I329-L337 HydrophobicContact CD1-CD2 4.21Å; I329-V362 PolarHBondContact N-O 3.18Å; I329-V362 PolarHBondContact O-N 3.32Å; I329-V362 VanDerWaalsContact O-O 3.13Å; I329-V364 HydrophobicContact CD1-CG2 3.73Å; I329-V364 HydrophobicContact CG1-CG2 3.96Å
330	T	98.8	Very high	97.5	Very high	39 Å²	39	48.5 Å²	48.5	24%	0.239	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	164.7	172.3	63	0	0	0	0	111.7	A332 D333 L334 E360	T330-A332 PolarHBondContact O-N 3.4Å; T330-D333 PolarHBondContact N-OD2 3.47Å; T330-D333 VanDerWaalsContact N-OD2 3.1Å; T330-D333 PolarHBondContact O-N 3.25Å; T330-D333 PolarHBondContact OG1-N 3.5Å; T330-D333 VanDerWaalsContact OG1-N 3.09Å; T330-D333 PolarHBondContact OG1-OD2 2.72Å; T330-L334 PolarHBondContact O-N 2.74Å; T330-E360 CarbonylContact C-O 3.5Å; T330-E360 WeakPolarHBondContact CA-O 3.47Å
331	I	98.8	Very high	97.7	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.01	25%	0.251	C	S	.	.	H	α-helix	trans	-56.8	-38.4	169	-69.1	-178.9	0	0	0	110.9	D333 L334 Q335 W343 L344 L347 L356 D358 E360 V362	I331-D333 PolarHBondContact O-N 3.21Å; I331-L334 PolarHBondContact O-N 2.97Å; I331-Q335 PolarHBondContact O-N 2.05Å; I331-W343 HydrophobicContact CG2-CB 4.11Å; I331-L344 HydrophobicContact CD1-CD1 4.12Å; I331-L344 HydrophobicContact CG2-CB 3.94Å; I331-L344 HydrophobicContact CG2-CD1 4.23Å; I331-L347 HydrophobicContact CD1-CD1 3.58Å; I331-L347 HydrophobicContact CG1-CD1 3.78Å; I331-L356 HydrophobicContact CD1-CB 4.28Å; I331-L356 HydrophobicContact CD1-CD1 4.36Å; I331-D358 PolarHBondContact N-O 3.35Å; I331-E360 HydrophobicContact CD1-CB 3.65Å; I331-E360 HydrophobicContact CD1-CG 4.15Å; I331-E360 HydrophobicContact CG1-CB 4Å; I331-E360 PolarHBondContact N-O 2.96Å; I331-V362 HydrophobicContact CG1-CG2 3.72Å
332	A	98.8	Very high	97.9	Very high	40 Å²	40	51.6 Å²	51.6	33%	0.331	27%	0.269	S	S	.	.	H	α-helix	trans	-60.4	-44.1	175.2	0	0	0	0	0	112.4	T330 L334 Q335 V336 D358	T330-A332 PolarHBondContact O-N 3.4Å; A332-L334 VanDerWaalsContact C-N 3.35Å; A332-Q335 WeakPolarHBondContact O-CB 3.27Å; A332-Q335 PolarHBondContact O-N 3.19Å; A332-V336 PolarHBondContact O-N 2.94Å; A332-D358 HydrophobicContact CB-CB 4.22Å; A332-D358 PolarHBondContact N-O 3.1Å
333	D	98.8	Very high	98.1	Very high	84 Å²	84	50.4 Å²	50.4	45%	0.449	26%	0.263	S	S	.	.	H	α-helix	trans	-66.6	-38.2	176.1	-62.7	-46.8	0	0	0	111.7	I329 T330 I331 Q335 V336 L337	I329-D333 HydrophobicContact CB-CB 3.89Å; I329-D333 HydrophobicContact CD1-CB 4.26Å; I329-D333 HydrophobicContact CG1-CB 4.4Å; T330-D333 PolarHBondContact N-OD2 3.47Å; T330-D333 VanDerWaalsContact N-OD2 3.1Å; T330-D333 PolarHBondContact O-N 3.25Å; T330-D333 PolarHBondContact OG1-N 3.5Å; T330-D333 VanDerWaalsContact OG1-N 3.09Å; T330-D333 PolarHBondContact OG1-OD2 2.72Å; I331-D333 PolarHBondContact O-N 3.21Å; D333-Q335 VanDerWaalsContact C-N 3.28Å; D333-Q335 PolarHBondContact O-N 3.21Å; D333-V336 PolarHBondContact O-N 3.01Å; D333-L337 WeakPolarHBondContact O-CB 3.38Å; D333-L337 PolarHBondContact O-N 3.42Å
334	L	98.8	Very high	98.3	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-63	-36.9	175.1	-178.3	56.7	0	0	0	111.5	V252 I329 T330 I331 A332 V336 L337 A338 W343 V362 V364	V252-L334 HydrophobicContact CG2-CD2 4.36Å; I329-L334 HydrophobicContact CD1-CB 3.87Å; I329-L334 HydrophobicContact CD1-CD1 4.26Å; I329-L334 HydrophobicContact CG1-CB 4.49Å; T330-L334 PolarHBondContact O-N 2.74Å; I331-L334 PolarHBondContact O-N 2.97Å; A332-L334 VanDerWaalsContact C-N 3.35Å; L334-V336 VanDerWaalsContact C-N 3.3Å; L334-V336 PolarHBondContact O-N 2.85Å; L334-L337 HydrophobicContact CD1-CD2 4.17Å; L334-L337 PolarHBondContact O-N 3.06Å; L334-A338 PolarHBondContact O-N 2.96Å; L334-W343 HydrophobicContact CD1-CD2 4.42Å; L334-W343 HydrophobicContact CD1-CZ2 4.17Å; L334-W343 HydrophobicContact CD2-CD2 3.51Å; L334-W343 HydrophobicContact CD2-CE3 3.5Å; L334-W343 HydrophobicContact CD2-CG 3.98Å; L334-W343 HydrophobicContact CD2-CH2 4.41Å; L334-W343 HydrophobicContact CD2-CZ2 4.41Å; L334-W343 HydrophobicContact CD2-CZ3 3.98Å; L334-W343 HydrophobicContact CG-CD2 3.62Å; L334-W343 HydrophobicContact CG-CE3 4.15Å; L334-W343 HydrophobicContact CG-CG 3.82Å; L334-W343 HydrophobicContact CG-CZ2 4.27Å; L334-V362 HydrophobicContact CD2-CG1 4.27Å; L334-V364 HydrophobicContact CD1-CG2 4.14Å
335	Q	98.8	Very high	98.4	Very high	62 Å²	62	44.6 Å²	44.6	29%	0.29	24%	0.242	S	C	.	.	H	α-helix	trans	-62.3	-36.7	173.8	-171	62.4	67	0	0	112.8	I331 A332 D333 P339 I341	I331-Q335 PolarHBondContact O-N 2.05Å; A332-Q335 WeakPolarHBondContact O-CB 3.27Å; A332-Q335 PolarHBondContact O-N 3.19Å; D333-Q335 VanDerWaalsContact C-N 3.28Å; D333-Q335 PolarHBondContact O-N 3.21Å; Q335-P339 WeakPolarHBondContact O-CA 3.22Å; Q335-I341 PolarHBondContact NE2-O 3.22Å; Q335-I341 PolarHBondContact OE1-O 3.1Å; Q335-I341 VanDerWaalsContact OE1-O 3.12Å
336	V	98.7	Very high	98.5	Very high	121 Å²	121	43.7 Å²	43.7	73%	0.733	24%	0.238	S	C	*	.	H	α-helix	trans	-72.7	-38.9	173.9	176.3	0	0	0	0	111.1	A332 D333 L334	A332-V336 PolarHBondContact O-N 2.94Å; D333-V336 PolarHBondContact O-N 3.01Å; L334-V336 VanDerWaalsContact C-N 3.3Å; L334-V336 PolarHBondContact O-N 2.85Å
337	L	98.5	Very high	98.5	Very high	30 Å²	30	43 Å²	43	16%	0.157	24%	0.235	C	C	.	.	H	α-helix	trans	-66.3	-45.1	-178.4	-174.7	73.4	0	0	0	112.3	I329 D333 L334 K367 M370 Q371	I329-L337 HydrophobicContact CD1-CD2 4.21Å; D333-L337 WeakPolarHBondContact O-CB 3.38Å; D333-L337 PolarHBondContact O-N 3.42Å; L334-L337 HydrophobicContact CD1-CD2 4.17Å; L334-L337 PolarHBondContact O-N 3.06Å; L337-K367 HydrophobicContact CD1-CB 4.37Å; L337-K367 HydrophobicContact CD2-CB 4.19Å; L337-K367 HydrophobicContact CD2-CG 3.99Å; L337-M370 HydrophobicContact CD2-CB 4.22Å; L337-Q371 HydrophobicContact CD1-CG 3.52Å; L337-Q371 VanDerWaalsContact CD1-NE2 3.33Å; L337-Q371 HydrophobicContact CG-CG 3.9Å; L337-Q371 WeakPolarHBondContact O-CG 2.92Å
338	A	98.7	Very high	98.5	Very high	2 Å²	2	42.6 Å²	42.6	2%	0.017	24%	0.235	C	C	.	.			trans	-134.8	72.8	-172.4	0	0	0	0	0	111	L334 A340 W343 M370 S374	L334-A338 PolarHBondContact O-N 2.96Å; A338-A340 PolarHBondContact O-N 3.09Å; A338-A340 VanDerWaalsContact O-N 3.12Å; A338-W343 HydrophobicContact CB-CZ2 3.96Å; A338-W343 PolarHBondContact O-NE1 3.33Å; A338-M370 HydrophobicContact CB-CB 4.22Å; A338-S374 VanDerWaalsContact C-OG 3.3Å
339	P	98.5	Very high	98.4	Very high	77 Å²	77	40.8 Å²	40.8	50%	0.5	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-7.1	-167.3	28.3	-37.3	0	0	0	116.1	Q335 I341 S374	Q335-P339 WeakPolarHBondContact O-CA 3.22Å; P339-I341 PolarHBondContact O-N 2.99Å; P339-S374 VanDerWaalsContact CD-OG 3.28Å; P339-S374 WeakPolarHBondContact CD-OG 3.32Å
340	A	97.9	Very high	98.3	Very high	19 Å²	19	40 Å²	40	16%	0.157	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-19.7	-179.4	0	0	0	0	0	113.9	A338 S374 I377 N378	A338-A340 PolarHBondContact O-N 3.09Å; A338-A340 VanDerWaalsContact O-N 3.12Å; A340-S374 WeakPolarHBondContact CB-O 3.45Å; A340-S374 WeakPolarHBondContact CB-OG 3.48Å; A340-S374 PolarHBondContact N-OG 2.64Å; A340-I377 HydrophobicContact CB-CB 4.02Å; A340-I377 HydrophobicContact CB-CD1 4.5Å; A340-I377 HydrophobicContact CB-CG2 3.91Å; A340-N378 WeakPolarHBondContact CB-OD1 3.15Å
341	I	98	Very high	98.2	Very high	4 Å²	4	38.2 Å²	38.2	2%	0.021	22%	0.219	C	C	.	.	S	Bend	trans	-112.5	137.1	178.1	-48.9	-57.4	0	0	0	108.6	F217 L218 L221 F234 Q335 P339 W343 Y346 I377	F217-I341 HydrophobicContact CE1-CD1 3.59Å; F217-I341 HydrophobicContact CZ-CD1 3.94Å; L218-I341 HydrophobicContact CD1-CG2 4.2Å; L221-I341 HydrophobicContact CD2-CD1 3.71Å; F234-I341 HydrophobicContact CE1-CD1 4.17Å; F234-I341 HydrophobicContact CE1-CG1 3.85Å; F234-I341 HydrophobicContact CZ-CD1 4.22Å; F234-I341 HydrophobicContact CZ-CG1 3.85Å; Q335-I341 PolarHBondContact NE2-O 3.22Å; Q335-I341 PolarHBondContact OE1-O 3.1Å; Q335-I341 VanDerWaalsContact OE1-O 3.12Å; P339-I341 PolarHBondContact O-N 2.99Å; I341-W343 VanDerWaalsContact C-N 3.33Å; I341-W343 HydrophobicContact CB-CD2 4.21Å; I341-W343 HydrophobicContact CB-CG 4.46Å; I341-W343 HydrophobicContact CB-CZ2 4.19Å; I341-W343 HydrophobicContact CG1-CZ2 4.1Å; I341-W343 HydrophobicContact CG2-CD2 4.28Å; I341-W343 HydrophobicContact CG2-CE3 4.5Å; I341-W343 PolarHBondContact O-N 3.01Å; I341-W343 VanDerWaalsContact O-N 3.07Å; I341-Y346 HydrophobicContact CG2-CD1 4.4Å; I341-Y346 HydrophobicContact CG2-CG 4.06Å; I341-I377 HydrophobicContact CD1-CD1 4.14Å
342	E	98.2	Very high	98	Very high	123 Å²	123	41.5 Å²	41.5	58%	0.575	24%	0.242	S	C	*	.			trans	-77.2	85.6	164.7	-64.5	-166.7	-165.7	0	0	109.1	L218 L344 D345 Y346	L218-E342 HydrophobicContact CD2-CB 3.91Å; L218-E342 HydrophobicContact CD2-CG 4.23Å; E342-L344 PolarHBondContact O-N 3.43Å; E342-D345 HydrophobicContact CB-CB 4.25Å; E342-D345 PolarHBondContact O-N 3.41Å; E342-Y346 WeakPolarHBondContact O-CB 3.48Å; E342-Y346 PolarHBondContact O-N 2.98Å
343	W	98.7	Very high	97.7	Very high	1 Å²	1	45.3 Å²	45.3	0%	0.004	26%	0.263	C	S	.	.	H	α-helix	trans	-61.5	-40	-165.7	-75	95.6	0	0	0	114	F234 V252 I331 L334 A338 I341 Y346 L347 M370	F234-W343 HydrophobicContact CD1-CH2 4.11Å; F234-W343 AromaticContact CD2-CH2 3.91Å; F234-W343 HydrophobicContact CD2-CH2 3.91Å; F234-W343 HydrophobicContact CD2-CZ3 4.15Å; F234-W343 AromaticContact CE1-CH2 3.86Å; F234-W343 HydrophobicContact CE1-CH2 3.86Å; F234-W343 HydrophobicContact CE1-CZ2 4.39Å; F234-W343 AromaticContact CE2-CH2 3.64Å; F234-W343 HydrophobicContact CE2-CH2 3.64Å; F234-W343 AromaticContact CE2-CZ3 3.7Å; F234-W343 HydrophobicContact CE2-CZ3 3.7Å; F234-W343 HydrophobicContact CG-CH2 4.15Å; F234-W343 AromaticContact CZ-CH2 3.62Å; F234-W343 HydrophobicContact CZ-CH2 3.62Å; F234-W343 HydrophobicContact CZ-CZ2 4.39Å; F234-W343 AromaticContact CZ-CZ3 3.99Å; F234-W343 HydrophobicContact CZ-CZ3 3.99Å; V252-W343 HydrophobicContact CG1-CH2 4.28Å; V252-W343 HydrophobicContact CG1-CZ3 4.42Å; I331-W343 HydrophobicContact CG2-CB 4.11Å; L334-W343 HydrophobicContact CD1-CD2 4.42Å; L334-W343 HydrophobicContact CD1-CZ2 4.17Å; L334-W343 HydrophobicContact CD2-CD2 3.51Å; L334-W343 HydrophobicContact CD2-CE3 3.5Å; L334-W343 HydrophobicContact CD2-CG 3.98Å; L334-W343 HydrophobicContact CD2-CH2 4.41Å; L334-W343 HydrophobicContact CD2-CZ2 4.41Å; L334-W343 HydrophobicContact CD2-CZ3 3.98Å; L334-W343 HydrophobicContact CG-CD2 3.62Å; L334-W343 HydrophobicContact CG-CE3 4.15Å; L334-W343 HydrophobicContact CG-CG 3.82Å; L334-W343 HydrophobicContact CG-CZ2 4.27Å; A338-W343 HydrophobicContact CB-CZ2 3.96Å; A338-W343 PolarHBondContact O-NE1 3.33Å; I341-W343 VanDerWaalsContact C-N 3.33Å; I341-W343 HydrophobicContact CB-CD2 4.21Å; I341-W343 HydrophobicContact CB-CG 4.46Å; I341-W343 HydrophobicContact CB-CZ2 4.19Å; I341-W343 HydrophobicContact CG1-CZ2 4.1Å; I341-W343 HydrophobicContact CG2-CD2 4.28Å; I341-W343 HydrophobicContact CG2-CE3 4.5Å; I341-W343 PolarHBondContact O-N 3.01Å; I341-W343 VanDerWaalsContact O-N 3.07Å; W343-Y346 HydrophobicContact CE3-CD1 4.23Å; W343-Y346 HydrophobicContact CZ3-CD1 4.32Å; W343-Y346 HydrophobicContact CZ3-CE1 4.43Å; W343-Y346 PolarHBondContact O-N 3.45Å; W343-L347 VanDerWaalsContact O-CB 3.28Å; W343-L347 WeakPolarHBondContact O-CB 3.44Å; W343-L347 VanDerWaalsContact O-CG 3.24Å; W343-L347 WeakPolarHBondContact O-CG 3.07Å; W343-L347 PolarHBondContact O-N 2.76Å; W343-M370 HydrophobicContact CH2-CE 3.41Å; W343-M370 VanDerWaalsContact CH2-CE 3.41Å; W343-M370 HydrophobicContact CZ2-CE 3.56Å
344	L	98.5	Very high	97.5	Very high	61 Å²	61	42.9 Å²	42.9	32%	0.319	25%	0.251	S	S	.	.	H	α-helix	trans	-63	-45.8	179.9	-177.6	61.8	0	0	0	111.2	I331 E342 N348 L356	I331-L344 HydrophobicContact CD1-CD1 4.12Å; I331-L344 HydrophobicContact CG2-CB 3.94Å; I331-L344 HydrophobicContact CG2-CD1 4.23Å; E342-L344 PolarHBondContact O-N 3.43Å; L344-N348 WeakPolarHBondContact CD1-ND2 3.25Å; L344-N348 WeakPolarHBondContact O-CB 3.39Å; L344-N348 PolarHBondContact O-N 3.4Å; L344-N348 PolarHBondContact O-ND2 3.37Å; L344-L356 HydrophobicContact CD1-CB 4.33Å; L344-L356 WeakPolarHBondContact CD1-O 3.12Å
345	D	98.2	Very high	97.3	Very high	66 Å²	66	51.7 Å²	51.7	35%	0.353	29%	0.291	S	S	.	.	H	α-helix	trans	-68.4	-44.7	179.1	-180	16.9	0	0	0	111	K222 E342 S349	K222-D345 WeakPolarHBondContact CE-OD1 3.48Å; K222-D345 WeakPolarHBondContact CE-OD2 3.44Å; K222-D345 IonicContact NZ-OD1 3.47Å; K222-D345 PolarHBondContact NZ-OD1 3.21Å; K222-D345 IonicContact NZ-OD2 3.27Å; K222-D345 PolarHBondContact NZ-OD2 2.88Å; E342-D345 HydrophobicContact CB-CB 4.25Å; E342-D345 PolarHBondContact O-N 3.41Å; D345-S349 WeakPolarHBondContact O-CB 3.29Å; D345-S349 PolarHBondContact O-N 3.26Å
346	Y	98.4	Very high	97.2	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.008	28%	0.281	C	S	.	.	H	α-helix	trans	-57.6	-51.2	174.6	174.5	-104.8	0	0	0	112.7	L221 K222 S225 F234 V236 I341 E342 W343 S349 V350	L221-Y346 HydrophobicContact CD2-CD2 4.25Å; L221-Y346 HydrophobicContact CD2-CE2 4.13Å; L221-Y346 HydrophobicContact CG-CD2 4.2Å; L221-Y346 HydrophobicContact CG-CE2 3.76Å; K222-Y346 HydrophobicContact CG-CD2 3.95Å; S225-Y346 WeakPolarHBondContact CB-OH 3.44Å; S225-Y346 PolarHBondContact OG-OH 3.22Å; F234-Y346 HydrophobicContact CE2-CD1 4.44Å; F234-Y346 AromaticContact CE2-CE1 3.64Å; F234-Y346 HydrophobicContact CE2-CE1 3.64Å; F234-Y346 AromaticContact CE2-CZ 3.83Å; F234-Y346 HydrophobicContact CZ-CE1 4.33Å; V236-Y346 HydrophobicContact CG2-CE1 3.81Å; I341-Y346 HydrophobicContact CG2-CD1 4.4Å; I341-Y346 HydrophobicContact CG2-CG 4.06Å; E342-Y346 WeakPolarHBondContact O-CB 3.48Å; E342-Y346 PolarHBondContact O-N 2.98Å; W343-Y346 HydrophobicContact CE3-CD1 4.23Å; W343-Y346 HydrophobicContact CZ3-CD1 4.32Å; W343-Y346 HydrophobicContact CZ3-CE1 4.43Å; W343-Y346 PolarHBondContact O-N 3.45Å; Y346-S349 PolarHBondContact O-N 3.46Å; Y346-V350 HydrophobicContact CD2-CG2 4.01Å; Y346-V350 HydrophobicContact CE1-CG2 4.25Å; Y346-V350 HydrophobicContact CE2-CG2 3.51Å; Y346-V350 WeakPolarHBondContact O-CG2 3.39Å; Y346-V350 PolarHBondContact O-N 3.44Å
347	L	98.4	Very high	97.2	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-67.8	-39.9	-177.7	-69.8	172.7	0	0	0	112.2	V236 I250 I331 W343 S349 V350 L351 L356 V362	V236-L347 HydrophobicContact CG1-CD2 3.88Å; V236-L347 HydrophobicContact CG2-CD2 4.14Å; I250-L347 HydrophobicContact CG2-CD2 4.19Å; I331-L347 HydrophobicContact CD1-CD1 3.58Å; I331-L347 HydrophobicContact CG1-CD1 3.78Å; W343-L347 VanDerWaalsContact O-CB 3.28Å; W343-L347 WeakPolarHBondContact O-CB 3.44Å; W343-L347 VanDerWaalsContact O-CG 3.24Å; W343-L347 WeakPolarHBondContact O-CG 3.07Å; W343-L347 PolarHBondContact O-N 2.76Å; L347-S349 VanDerWaalsContact C-N 3.26Å; L347-S349 PolarHBondContact O-N 3.11Å; L347-V350 PolarHBondContact O-N 3.44Å; L347-L351 VanDerWaalsContact O-CB 3.28Å; L347-L351 WeakPolarHBondContact O-CB 3.15Å; L347-L351 PolarHBondContact O-N 2.65Å; L347-L356 HydrophobicContact CB-CD1 3.73Å; L347-V362 HydrophobicContact CD1-CG2 4.38Å
348	N	97.4	Very high	97.2	Very high	44 Å²	44	50 Å²	50	24%	0.235	28%	0.281	C	S	.	.	H	α-helix	trans	-59.4	-37.8	172.7	-88	-75.4	0	0	0	111.8	L344 S352 L354 L356	L344-N348 WeakPolarHBondContact CD1-ND2 3.25Å; L344-N348 WeakPolarHBondContact O-CB 3.39Å; L344-N348 PolarHBondContact O-N 3.4Å; L344-N348 PolarHBondContact O-ND2 3.37Å; N348-S352 PolarHBondContact O-N 3.46Å; N348-L354 PolarHBondContact OD1-O 2.92Å; N348-L356 PolarHBondContact ND2-O 2.97Å; N348-L356 PolarHBondContact OD1-N 2.99Å
349	S	96.9	Very high	97.2	Very high	54 Å²	54	54.4 Å²	54.4	38%	0.378	31%	0.307	S	S	.	.	H	α-helix	trans	-71.7	-46.1	177.7	-173.9	0	0	0	0	112.6	D345 Y346 L347	D345-S349 WeakPolarHBondContact O-CB 3.29Å; D345-S349 PolarHBondContact O-N 3.26Å; Y346-S349 PolarHBondContact O-N 3.46Å; L347-S349 VanDerWaalsContact C-N 3.26Å; L347-S349 PolarHBondContact O-N 3.11Å
350	V	96.4	Very high	97.2	Very high	10 Å²	10	51.5 Å²	51.5	6%	0.061	29%	0.287	C	S	.	.	H	α-helix	trans	-72.7	-30.5	-175.6	170.7	0	0	0	0	111.9	Y346 L347	Y346-V350 HydrophobicContact CD2-CG2 4.01Å; Y346-V350 HydrophobicContact CE1-CG2 4.25Å; Y346-V350 HydrophobicContact CE2-CG2 3.51Å; Y346-V350 WeakPolarHBondContact O-CG2 3.39Å; Y346-V350 PolarHBondContact O-N 3.44Å; L347-V350 PolarHBondContact O-N 3.44Å
351	L	96.5	Very high	97.2	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	16.6	-179.7	-60.1	174.9	0	0	0	113.2	V238 I250 L347 L354 L356 M540 A541	V238-L351 HydrophobicContact CG2-CD1 4.45Å; V238-L351 HydrophobicContact CG2-CD2 3.89Å; I250-L351 HydrophobicContact CD1-CD1 3.61Å; I250-L351 HydrophobicContact CG1-CD1 3.83Å; I250-L351 HydrophobicContact CG2-CD1 4.4Å; L347-L351 VanDerWaalsContact O-CB 3.28Å; L347-L351 WeakPolarHBondContact O-CB 3.15Å; L347-L351 PolarHBondContact O-N 2.65Å; L351-L354 HydrophobicContact CB-CD1 4Å; L351-L354 WeakPolarHBondContact O-CB 3.42Å; L351-L354 WeakPolarHBondContact O-CD1 3.38Å; L351-L354 WeakPolarHBondContact O-CG 3.13Å; L351-L354 PolarHBondContact O-N 2.92Å; L351-L356 HydrophobicContact CD1-CD1 4.06Å; L351-M540 HydrophobicContact CD2-SD 3.86Å; L351-A541 HydrophobicContact CB-CB 4.36Å; L351-A541 HydrophobicContact CD2-CB 4.16Å
352	S	94.1	Very high	97.3	Very high	72 Å²	72	53 Å²	53	50%	0.503	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	137.4	175.5	-177.2	0	0	0	0	111.4	N348	N348-S352 PolarHBondContact O-N 3.46Å
353	P	94	Very high	97.3	Very high	119 Å²	119	47.1 Å²	47.1	77%	0.773	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	cis	-94.2	20.9	13.7	39	-37.8	0	0	0	114.8	E355	P353-E355 PolarHBondContact O-N 2.76Å
354	L	93.7	Very high	97.3	Very high	34 Å²	34	47 Å²	47	18%	0.178	27%	0.268	C	S	.	.			trans	-65.4	135.2	177.3	-66.1	165.8	0	0	0	111	N348 L351 L356 A541 L544 R545	N348-L354 PolarHBondContact OD1-O 2.92Å; L351-L354 HydrophobicContact CB-CD1 4Å; L351-L354 WeakPolarHBondContact O-CB 3.42Å; L351-L354 WeakPolarHBondContact O-CD1 3.38Å; L351-L354 WeakPolarHBondContact O-CG 3.13Å; L351-L354 PolarHBondContact O-N 2.92Å; L354-L356 HydrophobicContact CB-CD2 4.19Å; L354-A541 HydrophobicContact CD1-CB 4.24Å; L354-A541 VanDerWaalsContact CD1-O 3.24Å; L354-A541 WeakPolarHBondContact CD1-O 3.47Å; L354-L544 HydrophobicContact CD1-CB 3.82Å; L354-L544 HydrophobicContact CD1-CD2 3.65Å; L354-L544 HydrophobicContact CD1-CG 4.36Å; L354-R545 HydrophobicContact CD2-CG 4.02Å
355	E	94.9	Very high	97.3	Very high	184 Å²	184	45.2 Å²	45.2	86%	0.86	26%	0.257	S	S	*	.			trans	-96.2	110.6	169.7	-64.9	-175.7	168.7	0	0	109	P353	P353-E355 PolarHBondContact O-N 2.76Å
356	L	97.9	Very high	97.3	Very high	15 Å²	15	42.3 Å²	42.3	8%	0.079	24%	0.241	C	C	.	.			trans	-103.2	149.6	178.6	-50.5	178.3	0	0	0	110	I250 I331 L344 L347 N348 L351 L354 E360 L544	I250-L356 HydrophobicContact CD1-CD1 3.8Å; I250-L356 HydrophobicContact CD1-CD2 4.45Å; I331-L356 HydrophobicContact CD1-CB 4.28Å; I331-L356 HydrophobicContact CD1-CD1 4.36Å; L344-L356 HydrophobicContact CD1-CB 4.33Å; L344-L356 WeakPolarHBondContact CD1-O 3.12Å; L347-L356 HydrophobicContact CB-CD1 3.73Å; N348-L356 PolarHBondContact ND2-O 2.97Å; N348-L356 PolarHBondContact OD1-N 2.99Å; L351-L356 HydrophobicContact CD1-CD1 4.06Å; L354-L356 HydrophobicContact CB-CD2 4.19Å; L356-E360 HydrophobicContact CD2-CG 4.15Å; L356-L544 HydrophobicContact CD2-CD2 3.99Å
357	N	98	Very high	97.2	Very high	76 Å²	76	44.9 Å²	44.9	41%	0.406	25%	0.253	S	S	.	.			trans	-117.4	171.6	170.3	64.6	58.2	0	0	0	110.3	T359 E360	N357-T359 PolarHBondContact O-N 3.45Å; N357-T359 WeakPolarHBondContact OD1-CA 3.41Å; N357-T359 WeakPolarHBondContact OD1-CB 3.45Å; N357-T359 PolarHBondContact OD1-N 3.27Å; N357-T359 PolarHBondContact OD1-OG1 2.75Å; N357-E360 VanDerWaalsContact O-CB 3.25Å; N357-E360 WeakPolarHBondContact O-CB 3.29Å; N357-E360 PolarHBondContact O-N 3.12Å; N357-E360 VanDerWaalsContact O-N 3.15Å; N357-E360 PolarHBondContact OD1-N 3.04Å
358	D	98	Very high	97.2	Very high	87 Å²	87	50.3 Å²	50.3	47%	0.465	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-15.6	-176.5	62.5	-12.8	0	0	0	114.4	I331 A332	I331-D358 PolarHBondContact N-O 3.35Å; A332-D358 HydrophobicContact CB-CB 4.22Å; A332-D358 PolarHBondContact N-O 3.1Å
359	T	98.5	Very high	97.3	Very high	94 Å²	94	48.3 Å²	48.3	58%	0.577	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-4	175.6	73	0	0	0	0	114.2	N357	N357-T359 PolarHBondContact O-N 3.45Å; N357-T359 WeakPolarHBondContact OD1-CA 3.41Å; N357-T359 WeakPolarHBondContact OD1-CB 3.45Å; N357-T359 PolarHBondContact OD1-N 3.27Å; N357-T359 PolarHBondContact OD1-OG1 2.75Å
360	E	98.6	Very high	97.4	Very high	17 Å²	17	45.9 Å²	45.9	8%	0.079	25%	0.25	C	C	.	.			trans	-57	132.8	179.8	-175.6	68.7	-150.8	0	0	111.6	I250 T330 I331 L356 N357 R545	I250-E360 HydrophobicContact CD1-CG 3.92Å; T330-E360 CarbonylContact C-O 3.5Å; T330-E360 WeakPolarHBondContact CA-O 3.47Å; I331-E360 HydrophobicContact CD1-CB 3.65Å; I331-E360 HydrophobicContact CD1-CG 4.15Å; I331-E360 HydrophobicContact CG1-CB 4Å; I331-E360 PolarHBondContact N-O 2.96Å; L356-E360 HydrophobicContact CD2-CG 4.15Å; N357-E360 VanDerWaalsContact O-CB 3.25Å; N357-E360 WeakPolarHBondContact O-CB 3.29Å; N357-E360 PolarHBondContact O-N 3.12Å; N357-E360 VanDerWaalsContact O-N 3.15Å; N357-E360 PolarHBondContact OD1-N 3.04Å; E360-R545 IonicContact OE1-CZ 3.49Å; E360-R545 IonicContact OE1-NH1 2.57Å; E360-R545 PolarHBondContact OE1-NH1 3.19Å; E360-R545 IonicContact OE1-NH2 2.77Å; E360-R545 PolarHBondContact OE1-NH2 2.89Å; E360-R545 VanDerWaalsContact OE1-NH2 3.09Å; E360-R545 IonicContact OE2-CZ 2.8Å; E360-R545 IonicContact OE2-NH1 3.33Å; E360-R545 IonicContact OE2-NH2 2.61Å; E360-R545 PolarHBondContact OE2-NH2 3.33Å
361	P	98.6	Very high	97.5	Very high	53 Å²	53	49.3 Å²	49.3	34%	0.344	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	135.7	178.2	29.5	-35.3	0	0	0	112.4	V249 K328	V249-P361 HydrophobicContact CG2-CB 4.38Å; V249-P361 WeakPolarHBondContact CG2-O 3.06Å; K328-P361 HydrophobicContact CD-CB 4.16Å; K328-P361 HydrophobicContact CG-CB 4.23Å
362	V	98.8	Very high	97.6	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	132.2	175	-176.1	0	0	0	0	108.8	I250 V252 K328 I329 I331 L334 L347 V364	I250-V362 HydrophobicContact CB-CG1 4.4Å; I250-V362 HydrophobicContact CB-CG2 4.24Å; I250-V362 HydrophobicContact CG2-CG1 4.12Å; I250-V362 HydrophobicContact CG2-CG2 4.34Å; I250-V362 WeakPolarHBondContact O-CA 3.45Å; V252-V362 HydrophobicContact CB-CG1 4.35Å; V252-V362 HydrophobicContact CG2-CG1 3.6Å; K328-V362 WeakPolarHBondContact CA-O 3.29Å; I329-V362 PolarHBondContact N-O 3.18Å; I329-V362 PolarHBondContact O-N 3.32Å; I329-V362 VanDerWaalsContact O-O 3.13Å; I331-V362 HydrophobicContact CG1-CG2 3.72Å; L334-V362 HydrophobicContact CD2-CG1 4.27Å; L347-V362 HydrophobicContact CD1-CG2 4.38Å; V362-V364 HydrophobicContact CG1-CG2 4.22Å
363	V	98.8	Very high	97.8	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	124.2	169	176.3	0	0	0	0	108.6	V249 I250 Q251 V252 Y326 H327 K328 Y365	V249-V363 HydrophobicContact CB-CG2 4.5Å; V249-V363 HydrophobicContact CG1-CB 4.39Å; V249-V363 HydrophobicContact CG1-CG2 3.69Å; V249-V363 HydrophobicContact CG2-CG2 4.02Å; I250-V363 PolarHBondContact O-N 3.17Å; Q251-V363 CarbonylContact C-O 3.58Å; Q251-V363 WeakPolarHBondContact CA-O 3.2Å; Q251-V363 HydrophobicContact CG-CB 4.32Å; V252-V363 PolarHBondContact N-O 3.27Å; Y326-V363 HydrophobicContact CD2-CG1 3.83Å; Y326-V363 HydrophobicContact CD2-CG2 4.39Å; Y326-V363 HydrophobicContact CE2-CB 4.49Å; Y326-V363 HydrophobicContact CE2-CG1 3.94Å; Y326-V363 HydrophobicContact CE2-CG2 3.65Å; H327-V363 WeakPolarHBondContact O-CA 3.35Å; K328-V363 HydrophobicContact CB-CG2 4.38Å; V363-Y365 HydrophobicContact CG1-CD1 4.43Å; V363-Y365 HydrophobicContact CG1-CE1 4.06Å; V363-Y365 HydrophobicContact CG1-CE2 4.3Å
364	V	98.7	Very high	98	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	119.1	177	-179.1	0	0	0	0	108.4	V252 H327 I329 L334 V362 K367 M370	V252-V364 HydrophobicContact CB-CG2 4.44Å; V252-V364 WeakPolarHBondContact O-CA 3.49Å; H327-V364 WeakPolarHBondContact CB-O 3.49Å; H327-V364 PolarHBondContact CD2-O 3.48Å; H327-V364 PolarHBondContact N-O 3.45Å; H327-V364 PolarHBondContact O-N 2.82Å; I329-V364 HydrophobicContact CD1-CG2 3.73Å; I329-V364 HydrophobicContact CG1-CG2 3.96Å; L334-V364 HydrophobicContact CD1-CG2 4.14Å; V362-V364 HydrophobicContact CG1-CG2 4.22Å; V364-K367 HydrophobicContact CG1-CG 4.15Å; V364-M370 HydrophobicContact CG1-CG 3.82Å
365	Y	98.4	Very high	98.3	Very high	23 Å²	23	47.8 Å²	47.8	9%	0.09	24%	0.24	C	C	.	.	S	Bend	trans	-84.8	-21	-176.9	-68.9	-72.1	0	0	0	114.2	Q251 V252 D253 E322 I325 V363	Q251-Y365 HydrophobicContact CB-CE2 4.03Å; Q251-Y365 VanDerWaalsContact CD-OH 3.29Å; Q251-Y365 HydrophobicContact CG-CE2 4.26Å; Q251-Y365 PolarHBondContact NE2-OH 2.7Å; Q251-Y365 PolarHBondContact OE1-OH 3.15Å; V252-Y365 PolarHBondContact O-N 3.02Å; V252-Y365 VanDerWaalsContact O-N 3.14Å; D253-Y365 HydrophobicContact CB-CD2 4.03Å; D253-Y365 WeakPolarHBondContact OD1-CB 3.42Å; E322-Y365 WeakPolarHBondContact OE1-CE1 2.95Å; I325-Y365 WeakPolarHBondContact CB-O 3.43Å; I325-Y365 HydrophobicContact CD1-CD1 3.9Å; I325-Y365 HydrophobicContact CG1-CD1 4.03Å; I325-Y365 WeakPolarHBondContact O-CA 3.44Å; V363-Y365 HydrophobicContact CG1-CD1 4.43Å; V363-Y365 HydrophobicContact CG1-CE1 4.06Å; V363-Y365 HydrophobicContact CG1-CE2 4.3Å
366	A	97.5	Very high	98.4	Very high	4 Å²	4	40.6 Å²	40.6	3%	0.033	21%	0.207	C	C	.	.			trans	-140.3	84.2	-178.1	0	0	0	0	0	111.4	V314 Y369 M370	V314-A366 HydrophobicContact CG2-CB 4.28Å; A366-Y369 HydrophobicContact CB-CG 4.33Å; A366-Y369 WeakPolarHBondContact O-CB 3.1Å; A366-Y369 PolarHBondContact O-N 3.21Å; A366-M370 WeakPolarHBondContact O-CG 3.4Å; A366-M370 PolarHBondContact O-N 3.19Å
367	K	97.9	Very high	98.5	Very high	57 Å²	57	40.3 Å²	40.3	25%	0.248	21%	0.205	C	C	.	.	H	α-helix	trans	-63.6	-46.3	-175.3	-76.7	-176	173.2	165.4	0	113.2	H327 L337 V364 Y369 M370 Q371	H327-K367 HydrophobicContact CB-CD 4.19Å; H327-K367 HydrophobicContact CB-CG 4.41Å; L337-K367 HydrophobicContact CD1-CB 4.37Å; L337-K367 HydrophobicContact CD2-CB 4.19Å; L337-K367 HydrophobicContact CD2-CG 3.99Å; V364-K367 HydrophobicContact CG1-CG 4.15Å; K367-Y369 VanDerWaalsContact C-N 3.26Å; K367-Y369 PolarHBondContact O-N 3.07Å; K367-M370 PolarHBondContact O-N 3.17Å; K367-M370 VanDerWaalsContact O-N 3.16Å; K367-Q371 PolarHBondContact O-N 3.4Å
368	E	98	Very high	98.4	Very high	114 Å²	114	41.8 Å²	41.8	53%	0.533	21%	0.214	S	C	.	.	H	α-helix	trans	-65.6	-33.4	-179.6	-67.3	72	-161.6	0	0	111	Q372	E368-Q372 WeakPolarHBondContact O-CB 3.27Å; E368-Q372 WeakPolarHBondContact O-CG 3.45Å; E368-Q372 PolarHBondContact O-N 3.14Å; E368-Q372 VanDerWaalsContact O-N 3.07Å; E368-Q372 PolarHBondContact O-NE2 3.14Å
369	Y	98.7	Very high	98.4	Very high	1 Å²	1	45 Å²	45	0%	0.004	22%	0.224	C	C	.	.	H	α-helix	trans	-61.6	-51.4	170.6	174.2	-89.2	0	0	0	110.3	F233 Q254 S255 L309 I312 A366 K367 Q371 Q372 V373	F233-Y369 VanDerWaalsContact O-CE1 3.29Å; F233-Y369 WeakPolarHBondContact O-CE1 2.86Å; F233-Y369 PolarHBondContact O-OH 3.39Å; Q254-Y369 VanDerWaalsContact CA-CE1 3.42Å; Q254-Y369 HydrophobicContact CB-CD1 3.77Å; Q254-Y369 HydrophobicContact CB-CD2 3.84Å; Q254-Y369 HydrophobicContact CB-CE1 3.61Å; Q254-Y369 HydrophobicContact CB-CE2 3.7Å; Q254-Y369 HydrophobicContact CB-CG 3.9Å; S255-Y369 PolarHBondContact N-OH 3.01Å; S255-Y369 PolarHBondContact O-OH 2.92Å; L309-Y369 HydrophobicContact CD1-CE2 4.17Å; L309-Y369 WeakPolarHBondContact CD1-OH 3.41Å; I312-Y369 HydrophobicContact CB-CD2 4.42Å; I312-Y369 HydrophobicContact CG2-CD2 3.67Å; I312-Y369 HydrophobicContact CG2-CE2 4.18Å; I312-Y369 HydrophobicContact CG2-CG 4.32Å; A366-Y369 HydrophobicContact CB-CG 4.33Å; A366-Y369 WeakPolarHBondContact O-CB 3.1Å; A366-Y369 PolarHBondContact O-N 3.21Å; K367-Y369 VanDerWaalsContact C-N 3.26Å; K367-Y369 PolarHBondContact O-N 3.07Å; Y369-Q371 VanDerWaalsContact C-N 3.3Å; Y369-Q371 PolarHBondContact O-N 3.08Å; Y369-Q372 PolarHBondContact O-N 3.4Å; Y369-V373 HydrophobicContact CD1-CG2 3.94Å; Y369-V373 HydrophobicContact CD2-CG2 4.2Å; Y369-V373 HydrophobicContact CE1-CB 4.44Å; Y369-V373 HydrophobicContact CE1-CG2 3.52Å; Y369-V373 HydrophobicContact CE2-CG2 3.8Å; Y369-V373 HydrophobicContact CG-CG2 4.25Å; Y369-V373 VanDerWaalsContact CZ-CG2 3.45Å; Y369-V373 WeakPolarHBondContact O-CB 3.13Å; Y369-V373 VanDerWaalsContact O-CG2 3.3Å; Y369-V373 WeakPolarHBondContact O-CG2 3.31Å; Y369-V373 PolarHBondContact O-N 3.22Å
370	M	98.8	Very high	98.4	Very high	3 Å²	3	41.7 Å²	41.7	2%	0.015	20%	0.203	C	C	.	.	H	α-helix	trans	-59.5	-39.7	-179.7	-64.9	-48.2	-59.6	0	0	112.8	F234 V252 L337 A338 W343 V364 A366 K367 S374	F234-M370 HydrophobicContact CB-CE 3.95Å; F234-M370 HydrophobicContact CB-SD 4.05Å; F234-M370 HydrophobicContact CD1-CE 3.78Å; F234-M370 HydrophobicContact CG-CE 3.88Å; V252-M370 HydrophobicContact CG1-CE 3.85Å; V252-M370 HydrophobicContact CG1-SD 3.88Å; L337-M370 HydrophobicContact CD2-CB 4.22Å; A338-M370 HydrophobicContact CB-CB 4.22Å; W343-M370 HydrophobicContact CH2-CE 3.41Å; W343-M370 VanDerWaalsContact CH2-CE 3.41Å; W343-M370 HydrophobicContact CZ2-CE 3.56Å; V364-M370 HydrophobicContact CG1-CG 3.82Å; A366-M370 WeakPolarHBondContact O-CG 3.4Å; A366-M370 PolarHBondContact O-N 3.19Å; K367-M370 PolarHBondContact O-N 3.17Å; K367-M370 VanDerWaalsContact O-N 3.16Å; M370-S374 WeakPolarHBondContact O-CB 3.43Å; M370-S374 PolarHBondContact O-N 3.48Å
371	Q	98.7	Very high	98.3	Very high	83 Å²	83	45.7 Å²	45.7	39%	0.388	23%	0.225	S	C	.	.	H	α-helix	trans	-61.3	-52.9	174.3	-73.5	175.2	-31.7	0	0	111.7	L337 K367 Y369 V373 S374 E375	L337-Q371 HydrophobicContact CD1-CG 3.52Å; L337-Q371 VanDerWaalsContact CD1-NE2 3.33Å; L337-Q371 HydrophobicContact CG-CG 3.9Å; L337-Q371 WeakPolarHBondContact O-CG 2.92Å; K367-Q371 PolarHBondContact O-N 3.4Å; Y369-Q371 VanDerWaalsContact C-N 3.3Å; Y369-Q371 PolarHBondContact O-N 3.08Å; Q371-V373 VanDerWaalsContact C-N 3.34Å; Q371-V373 PolarHBondContact O-N 2.87Å; Q371-S374 WeakPolarHBondContact O-CB 3.49Å; Q371-S374 PolarHBondContact O-N 3.25Å; Q371-E375 PolarHBondContact O-N 3.29Å
372	Q	98.8	Very high	98.2	Very high	84 Å²	84	47.3 Å²	47.3	39%	0.393	23%	0.228	S	C	.	.	H	α-helix	trans	-66.5	-35.3	-177.7	-74.5	176.8	79.3	0	0	112.4	I312 E368 Y369 E375 L376	I312-Q372 HydrophobicContact CB-CB 4.43Å; I312-Q372 HydrophobicContact CD1-CB 4.07Å; I312-Q372 HydrophobicContact CG1-CB 4.1Å; I312-Q372 HydrophobicContact CG2-CB 3.42Å; I312-Q372 VanDerWaalsContact CG2-CB 3.42Å; I312-Q372 HydrophobicContact CG2-CG 4.32Å; E368-Q372 WeakPolarHBondContact O-CB 3.27Å; E368-Q372 WeakPolarHBondContact O-CG 3.45Å; E368-Q372 PolarHBondContact O-N 3.14Å; E368-Q372 VanDerWaalsContact O-N 3.07Å; E368-Q372 PolarHBondContact O-NE2 3.14Å; Y369-Q372 PolarHBondContact O-N 3.4Å; Q372-E375 PolarHBondContact O-N 2.81Å; Q372-L376 WeakPolarHBondContact O-CB 3.33Å; Q372-L376 PolarHBondContact O-N 3Å
373	V	98.8	Very high	98.1	Very high	2 Å²	2	48 Å²	48	1%	0.012	23%	0.233	C	C	.	.	H	α-helix	trans	-65	-42.9	172.5	167.9	0	0	0	0	111.1	F233 L309 I312 Y369 Q371 E375 L376 I377	F233-V373 HydrophobicContact CB-CG1 3.84Å; L309-V373 HydrophobicContact CD1-CG2 3.6Å; I312-V373 HydrophobicContact CG2-CG2 4.33Å; Y369-V373 HydrophobicContact CD1-CG2 3.94Å; Y369-V373 HydrophobicContact CD2-CG2 4.2Å; Y369-V373 HydrophobicContact CE1-CB 4.44Å; Y369-V373 HydrophobicContact CE1-CG2 3.52Å; Y369-V373 HydrophobicContact CE2-CG2 3.8Å; Y369-V373 HydrophobicContact CG-CG2 4.25Å; Y369-V373 VanDerWaalsContact CZ-CG2 3.45Å; Y369-V373 WeakPolarHBondContact O-CB 3.13Å; Y369-V373 VanDerWaalsContact O-CG2 3.3Å; Y369-V373 WeakPolarHBondContact O-CG2 3.31Å; Y369-V373 PolarHBondContact O-N 3.22Å; Q371-V373 VanDerWaalsContact C-N 3.34Å; Q371-V373 PolarHBondContact O-N 2.87Å; V373-E375 VanDerWaalsContact C-N 3.28Å; V373-E375 PolarHBondContact O-N 3.27Å; V373-L376 PolarHBondContact O-N 3.33Å; V373-L376 VanDerWaalsContact O-N 3.16Å; V373-I377 HydrophobicContact CG1-CD1 3.88Å; V373-I377 HydrophobicContact CG1-CG1 4.43Å; V373-I377 WeakPolarHBondContact O-CG1 3.4Å; V373-I377 PolarHBondContact O-N 3.02Å
374	S	98.7	Very high	98.1	Very high	6 Å²	6	49.2 Å²	49.2	4%	0.042	24%	0.239	C	C	.	.	H	α-helix	trans	-59.6	-40.6	174.2	-177.2	0	0	0	0	111.8	A338 P339 A340 M370 Q371 N378	A338-S374 VanDerWaalsContact C-OG 3.3Å; P339-S374 VanDerWaalsContact CD-OG 3.28Å; P339-S374 WeakPolarHBondContact CD-OG 3.32Å; A340-S374 WeakPolarHBondContact CB-O 3.45Å; A340-S374 WeakPolarHBondContact CB-OG 3.48Å; A340-S374 PolarHBondContact N-OG 2.64Å; M370-S374 WeakPolarHBondContact O-CB 3.43Å; M370-S374 PolarHBondContact O-N 3.48Å; Q371-S374 WeakPolarHBondContact O-CB 3.49Å; Q371-S374 PolarHBondContact O-N 3.25Å; S374-N378 PolarHBondContact O-N 3.02Å; S374-N378 PolarHBondContact O-ND2 3.33Å
375	E	98.6	Very high	98	Very high	101 Å²	101	49.3 Å²	49.3	47%	0.472	24%	0.24	S	C	.	.	H	α-helix	trans	-66.7	-40.6	174.3	-71.2	-172.4	-157.1	0	0	112.7	Q371 Q372 V373 N378 K379	Q371-E375 PolarHBondContact O-N 3.29Å; Q372-E375 PolarHBondContact O-N 2.81Å; V373-E375 VanDerWaalsContact C-N 3.28Å; V373-E375 PolarHBondContact O-N 3.27Å; E375-N378 PolarHBondContact O-N 3.45Å; E375-K379 WeakPolarHBondContact O-CB 3.15Å; E375-K379 WeakPolarHBondContact O-CD 3.44Å; E375-K379 VanDerWaalsContact O-CG 3.23Å; E375-K379 WeakPolarHBondContact O-CG 3.38Å; E375-K379 PolarHBondContact O-N 2.85Å; E375-K379 VanDerWaalsContact O-N 3.1Å; E375-K379 IonicContact OE2-NZ 2.77Å; E375-K379 PolarHBondContact OE2-NZ 3.15Å
376	L	98.7	Very high	98	Very high	32 Å²	32	48.3 Å²	48.3	17%	0.168	24%	0.235	C	C	.	.	H	α-helix	trans	-62.5	-44.7	178.9	-178.8	62.1	0	0	0	110.8	F305 A308 L309 I312 Q372 V373 K379 T380	F305-L376 HydrophobicContact CD2-CD2 4.5Å; F305-L376 HydrophobicContact CE1-CD2 4.39Å; F305-L376 HydrophobicContact CE2-CD1 4.17Å; F305-L376 HydrophobicContact CE2-CD2 3.85Å; F305-L376 HydrophobicContact CE2-CG 3.7Å; F305-L376 HydrophobicContact CZ-CD2 3.77Å; F305-L376 HydrophobicContact CZ-CG 3.97Å; A308-L376 HydrophobicContact CB-CD1 4.34Å; A308-L376 HydrophobicContact CB-CD2 4.36Å; L309-L376 HydrophobicContact CD1-CD2 4.38Å; I312-L376 HydrophobicContact CD1-CB 4.33Å; I312-L376 HydrophobicContact CD1-CD2 3.92Å; Q372-L376 WeakPolarHBondContact O-CB 3.33Å; Q372-L376 PolarHBondContact O-N 3Å; V373-L376 PolarHBondContact O-N 3.33Å; V373-L376 VanDerWaalsContact O-N 3.16Å; L376-K379 PolarHBondContact O-N 2.93Å; L376-T380 WeakPolarHBondContact O-CB 3.4Å; L376-T380 PolarHBondContact O-N 2.98Å; L376-T380 PolarHBondContact O-OG1 3.24Å
377	I	98.6	Very high	98.1	Very high	9 Å²	9	48.3 Å²	48.3	5%	0.046	24%	0.235	C	C	.	.	H	α-helix	trans	-58.3	-52.3	175.6	-69.1	166.5	0	0	0	110.1	F217 F233 A340 I341 V373 K379 T380 L385	F217-I377 HydrophobicContact CE1-CG2 4.16Å; F217-I377 HydrophobicContact CE2-CG2 4.28Å; F217-I377 HydrophobicContact CZ-CD1 4.3Å; F217-I377 HydrophobicContact CZ-CG2 3.78Å; F233-I377 HydrophobicContact CB-CD1 4.36Å; F233-I377 HydrophobicContact CD1-CD1 4.12Å; F233-I377 HydrophobicContact CD1-CG1 4.07Å; F233-I377 HydrophobicContact CD2-CD1 4.29Å; F233-I377 HydrophobicContact CE1-CG1 4.13Å; F233-I377 HydrophobicContact CG-CD1 4.01Å; F233-I377 HydrophobicContact CG-CG1 4.45Å; A340-I377 HydrophobicContact CB-CB 4.02Å; A340-I377 HydrophobicContact CB-CD1 4.5Å; A340-I377 HydrophobicContact CB-CG2 3.91Å; I341-I377 HydrophobicContact CD1-CD1 4.14Å; V373-I377 HydrophobicContact CG1-CD1 3.88Å; V373-I377 HydrophobicContact CG1-CG1 4.43Å; V373-I377 WeakPolarHBondContact O-CG1 3.4Å; V373-I377 PolarHBondContact O-N 3.02Å; I377-K379 PolarHBondContact O-N 3.41Å; I377-K379 VanDerWaalsContact O-N 3.17Å; I377-T380 PolarHBondContact O-N 2.92Å; I377-T380 VanDerWaalsContact O-N 3.1Å; I377-L385 HydrophobicContact CG1-CD2 4.43Å; I377-L385 HydrophobicContact CG2-CD1 4.03Å
378	N	97.4	Very high	98.1	Very high	108 Å²	108	45.6 Å²	45.6	58%	0.578	22%	0.223	S	C	*	.	H	α-helix	trans	-63.2	-24.8	-177.7	-75.6	-22	0	0	0	114.3	A340 S374 E375	A340-N378 WeakPolarHBondContact CB-OD1 3.15Å; S374-N378 PolarHBondContact O-N 3.02Å; S374-N378 PolarHBondContact O-ND2 3.33Å; E375-N378 PolarHBondContact O-N 3.45Å
379	K	97.4	Very high	98.1	Very high	155 Å²	155	40.2 Å²	40.2	67%	0.674	20%	0.198	S	C	*	.	H	α-helix	trans	-90.8	-8.5	179.8	-68.9	167.2	-171.2	163.5	0	113	E375 L376 I377	E375-K379 WeakPolarHBondContact O-CB 3.15Å; E375-K379 WeakPolarHBondContact O-CD 3.44Å; E375-K379 VanDerWaalsContact O-CG 3.23Å; E375-K379 WeakPolarHBondContact O-CG 3.38Å; E375-K379 PolarHBondContact O-N 2.85Å; E375-K379 VanDerWaalsContact O-N 3.1Å; E375-K379 IonicContact OE2-NZ 2.77Å; E375-K379 PolarHBondContact OE2-NZ 3.15Å; L376-K379 PolarHBondContact O-N 2.93Å; I377-K379 PolarHBondContact O-N 3.41Å; I377-K379 VanDerWaalsContact O-N 3.17Å
380	T	98.2	Very high	98.1	Very high	24 Å²	24	40.1 Å²	40.1	15%	0.147	20%	0.198	C	C	.	.	S	Bend	trans	-101.5	140.4	-172.6	-58.4	0	0	0	0	111.1	F305 L376 I377 L384 L385	F305-T380 HydrophobicContact CD2-CG2 3.96Å; F305-T380 HydrophobicContact CE2-CG2 3.91Å; L376-T380 WeakPolarHBondContact O-CB 3.4Å; L376-T380 PolarHBondContact O-N 2.98Å; L376-T380 PolarHBondContact O-OG1 3.24Å; I377-T380 PolarHBondContact O-N 2.92Å; I377-T380 VanDerWaalsContact O-N 3.1Å; T380-L384 HydrophobicContact CG2-CB 4.03Å; T380-L384 HydrophobicContact CG2-CD2 3.79Å; T380-L384 HydrophobicContact CG2-CG 3.93Å; T380-L385 HydrophobicContact CG2-CD2 3.92Å; T380-L385 HydrophobicContact CG2-CG 3.89Å
381	D	96.6	Very high	98.1	Very high	100 Å²	100	40 Å²	40	54%	0.535	20%	0.197	S	C	.	.			trans	-58.3	142.2	174.9	164.3	-100.5	0	0	0	112.4	S383 L384 L385	D381-S383 VanDerWaalsContact C-N 3.3Å; D381-S383 PolarHBondContact O-N 3.24Å; D381-S383 VanDerWaalsContact OD1-CA 3.3Å; D381-S383 WeakPolarHBondContact OD1-CA 3.29Å; D381-S383 WeakPolarHBondContact OD1-CB 3.44Å; D381-S383 PolarHBondContact OD1-N 3.06Å; D381-L384 PolarHBondContact O-N 3.43Å; D381-L384 PolarHBondContact OD1-N 3.39Å; D381-L385 WeakPolarHBondContact O-CG 3.36Å; D381-L385 PolarHBondContact O-N 3.23Å
382	H	96.3	Very high	98.1	Very high	87 Å²	87	36.7 Å²	36.7	40%	0.403	18%	0.182	S	C	.	.	H	α-helix	trans	-61.4	-36.3	-177	-65.9	170.5	0	0	0	112.8	W212 L385 N386	W212-H382 HydrophobicContact CZ3-CB 4.12Å; W212-H382 WeakPolarHBondContact CZ3-O 3.41Å; H382-L385 PolarHBondContact O-N 3.4Å; H382-N386 WeakPolarHBondContact O-CB 3.4Å; H382-N386 PolarHBondContact O-N 3.41Å
383	S	97	Very high	98	Very high	15 Å²	15	32.8 Å²	32.8	11%	0.105	16%	0.164	C	C	.	.	H	α-helix	trans	-65.8	-42.6	179	-157.8	0	0	0	0	111	W212 D381 N386 N387	W212-S383 PolarHBondContact O-OG 3.16Å; D381-S383 VanDerWaalsContact C-N 3.3Å; D381-S383 PolarHBondContact O-N 3.24Å; D381-S383 VanDerWaalsContact OD1-CA 3.3Å; D381-S383 WeakPolarHBondContact OD1-CA 3.29Å; D381-S383 WeakPolarHBondContact OD1-CB 3.44Å; D381-S383 PolarHBondContact OD1-N 3.06Å; S383-N386 PolarHBondContact O-N 3.28Å; S383-N387 WeakPolarHBondContact O-CB 3.47Å; S383-N387 PolarHBondContact O-N 2.95Å
384	L	97.9	Very high	97.9	Very high	26 Å²	26	32.7 Å²	32.7	14%	0.136	16%	0.163	C	C	.	.	H	α-helix	trans	-64.5	-43.9	174.3	179.9	53.5	0	0	0	112.1	Q301 I302 T380 D381 N386 N387 Y388	Q301-L384 HydrophobicContact CB-CD1 3.71Å; Q301-L384 HydrophobicContact CB-CD2 4.24Å; I302-L384 HydrophobicContact CG1-CD1 4.14Å; T380-L384 HydrophobicContact CG2-CB 4.03Å; T380-L384 HydrophobicContact CG2-CD2 3.79Å; T380-L384 HydrophobicContact CG2-CG 3.93Å; D381-L384 PolarHBondContact O-N 3.43Å; D381-L384 PolarHBondContact OD1-N 3.39Å; L384-N386 VanDerWaalsContact C-N 3.35Å; L384-N386 PolarHBondContact O-N 2.79Å; L384-N387 PolarHBondContact O-N 2.77Å; L384-Y388 PolarHBondContact O-N 2.99Å
385	L	98.3	Very high	97.7	Very high	2 Å²	2	34 Å²	34	1%	0.01	17%	0.169	C	C	.	.	H	α-helix	trans	-58.9	-45.8	176.1	-70.8	173.5	0	0	0	111.7	F217 F233 F305 I377 T380 D381 H382 Y388 M389	F217-L385 HydrophobicContact CD2-CB 4.03Å; F217-L385 HydrophobicContact CD2-CD1 4.04Å; F217-L385 HydrophobicContact CE2-CB 4.14Å; F217-L385 HydrophobicContact CE2-CD1 4.06Å; F217-L385 HydrophobicContact CE2-CD2 4.46Å; F217-L385 HydrophobicContact CE2-CG 4.46Å; F233-L385 HydrophobicContact CE1-CD2 3.91Å; F233-L385 HydrophobicContact CZ-CD2 3.93Å; F305-L385 HydrophobicContact CE2-CD2 4.03Å; F305-L385 HydrophobicContact CZ-CD2 4.1Å; I377-L385 HydrophobicContact CG1-CD2 4.43Å; I377-L385 HydrophobicContact CG2-CD1 4.03Å; T380-L385 HydrophobicContact CG2-CD2 3.92Å; T380-L385 HydrophobicContact CG2-CG 3.89Å; D381-L385 WeakPolarHBondContact O-CG 3.36Å; D381-L385 PolarHBondContact O-N 3.23Å; H382-L385 PolarHBondContact O-N 3.4Å; L385-Y388 PolarHBondContact O-N 3.36Å; L385-M389 WeakPolarHBondContact O-CB 3.15Å; L385-M389 WeakPolarHBondContact O-CG 3.29Å; L385-M389 PolarHBondContact O-N 2.87Å
386	N	98.2	Very high	97.4	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-65.1	-42.6	177	-179	75.6	0	0	0	112.2	G205 W212 H382 S383 L384 Y388 M389 I390	G205-N386 PolarHBondContact O-ND2 3.35Å; W212-N386 HydrophobicContact CD2-CB 4.27Å; W212-N386 HydrophobicContact CE3-CB 4.28Å; W212-N386 HydrophobicContact CH2-CB 3.35Å; W212-N386 HydrophobicContact CZ2-CB 3.29Å; W212-N386 WeakPolarHBondContact CZ2-OD1 3.38Å; W212-N386 HydrophobicContact CZ3-CB 3.88Å; W212-N386 PolarHBondContact NE1-ND2 3.29Å; W212-N386 VanDerWaalsContact NE1-ND2 3.2Å; H382-N386 WeakPolarHBondContact O-CB 3.4Å; H382-N386 PolarHBondContact O-N 3.41Å; S383-N386 PolarHBondContact O-N 3.28Å; L384-N386 VanDerWaalsContact C-N 3.35Å; L384-N386 PolarHBondContact O-N 2.79Å; N386-Y388 VanDerWaalsContact C-N 3.31Å; N386-Y388 PolarHBondContact O-N 3.24Å; N386-M389 HydrophobicContact CB-CE 4.43Å; N386-M389 PolarHBondContact O-N 2.89Å; N386-I390 WeakPolarHBondContact O-CB 3.21Å; N386-I390 VanDerWaalsContact O-CG1 3.3Å; N386-I390 WeakPolarHBondContact O-CG1 3.48Å; N386-I390 PolarHBondContact O-N 3.39Å
387	N	98.3	Very high	97.1	Very high	5 Å²	5	29.5 Å²	29.5	3%	0.027	15%	0.147	C	C	.	.	H	α-helix	trans	-57.7	-43.7	175.1	-84.1	-0.6	0	0	0	112	N207 Q298 I302 S383 L384 W391	N207-N387 PolarHBondContact N-OD1 3.27Å; Q298-N387 PolarHBondContact OE1-ND2 2.96Å; I302-N387 HydrophobicContact CD1-CB 3.97Å; I302-N387 HydrophobicContact CG1-CB 4.22Å; S383-N387 WeakPolarHBondContact O-CB 3.47Å; S383-N387 PolarHBondContact O-N 2.95Å; L384-N387 PolarHBondContact O-N 2.77Å; N387-W391 VanDerWaalsContact O-CB 3.24Å; N387-W391 WeakPolarHBondContact O-CB 3.45Å; N387-W391 PolarHBondContact O-N 3.15Å
388	Y	98.6	Very high	96.9	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-66.5	-40.8	176.5	168.8	-105.9	0	0	0	112.9	P232 F233 G256 I302 F305 E306 L309 L384 L385 N386 W391 N392	P232-Y388 HydrophobicContact CB-CD1 4.16Å; P232-Y388 HydrophobicContact CB-CE1 3.55Å; F233-Y388 HydrophobicContact CD1-CD1 4.09Å; F233-Y388 AromaticContact CD1-CE1 3.54Å; F233-Y388 HydrophobicContact CD1-CE1 3.54Å; F233-Y388 AromaticContact CE1-CD1 3.36Å; F233-Y388 HydrophobicContact CE1-CD1 3.36Å; F233-Y388 AromaticContact CE1-CE1 3.33Å; F233-Y388 HydrophobicContact CE1-CE1 3.33Å; F233-Y388 HydrophobicContact CE2-CD1 4.43Å; F233-Y388 HydrophobicContact CE2-CE1 4.38Å; F233-Y388 HydrophobicContact CG-CE1 4.16Å; F233-Y388 AromaticContact CZ-CD1 3.57Å; F233-Y388 HydrophobicContact CZ-CD1 3.57Å; F233-Y388 AromaticContact CZ-CE1 3.79Å; F233-Y388 HydrophobicContact CZ-CE1 3.79Å; F233-Y388 PolarHBondContact N-OH 3.06Å; G256-Y388 WeakPolarHBondContact CA-OH 3.06Å; G256-Y388 PolarHBondContact O-OH 3.13Å; I302-Y388 HydrophobicContact CG2-CD2 4.05Å; F305-Y388 HydrophobicContact CD1-CD1 4.05Å; F305-Y388 AromaticContact CD1-CD2 3.94Å; F305-Y388 HydrophobicContact CD1-CD2 3.94Å; F305-Y388 HydrophobicContact CD1-CE1 4.27Å; F305-Y388 HydrophobicContact CD1-CE2 4.2Å; F305-Y388 AromaticContact CD1-CG 3.86Å; F305-Y388 HydrophobicContact CD1-CG 3.86Å; F305-Y388 AromaticContact CE1-CD1 3.71Å; F305-Y388 HydrophobicContact CE1-CD1 3.71Å; F305-Y388 HydrophobicContact CE1-CD2 4.37Å; F305-Y388 AromaticContact CE1-CE1 3.74Å; F305-Y388 HydrophobicContact CE1-CE1 3.74Å; F305-Y388 HydrophobicContact CE1-CE2 4.42Å; F305-Y388 HydrophobicContact CE1-CG 4.02Å; E306-Y388 HydrophobicContact CG-CD2 4.12Å; E306-Y388 HydrophobicContact CG-CE2 3.66Å; L309-Y388 WeakPolarHBondContact CD2-OH 3.37Å; L384-Y388 PolarHBondContact O-N 2.99Å; L385-Y388 PolarHBondContact O-N 3.36Å; N386-Y388 VanDerWaalsContact C-N 3.31Å; N386-Y388 PolarHBondContact O-N 3.24Å; Y388-W391 WeakPolarHBondContact O-CB 3.45Å; Y388-W391 PolarHBondContact O-N 3.12Å; Y388-N392 WeakPolarHBondContact CE2-ND2 3.4Å; Y388-N392 VanDerWaalsContact CZ-ND2 3.32Å; Y388-N392 PolarHBondContact O-N 2.86Å; Y388-N392 PolarHBondContact O-ND2 3.05Å
389	M	98.4	Very high	96.6	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-62.4	-46	174.8	-78.1	-165.9	-63.7	0	0	112.3	F217 V220 L221 I224 P232 F233 L385 N386 W391 N392 L393	F217-M389 HydrophobicContact CD2-CE 3.5Å; F217-M389 VanDerWaalsContact CD2-CE 3.5Å; F217-M389 HydrophobicContact CD2-SD 4.05Å; F217-M389 HydrophobicContact CE2-CE 3.92Å; F217-M389 HydrophobicContact CE2-SD 3.88Å; F217-M389 HydrophobicContact CG-CE 4.35Å; V220-M389 HydrophobicContact CB-CE 3.94Å; V220-M389 HydrophobicContact CG1-CB 4.3Å; V220-M389 HydrophobicContact CG1-CE 3.8Å; V220-M389 HydrophobicContact CG1-SD 4.16Å; L221-M389 HydrophobicContact CB-SD 3.87Å; L221-M389 HydrophobicContact CD1-SD 4.1Å; I224-M389 HydrophobicContact CD1-CB 3.58Å; I224-M389 HydrophobicContact CD1-CG 3.93Å; I224-M389 HydrophobicContact CD1-SD 4.14Å; P232-M389 HydrophobicContact CB-CG 4.21Å; P232-M389 HydrophobicContact CG-CG 3.95Å; F233-M389 HydrophobicContact CE2-CG 3.69Å; F233-M389 HydrophobicContact CE2-SD 3.98Å; F233-M389 HydrophobicContact CZ-CG 3.9Å; L385-M389 WeakPolarHBondContact O-CB 3.15Å; L385-M389 WeakPolarHBondContact O-CG 3.29Å; L385-M389 PolarHBondContact O-N 2.87Å; N386-M389 HydrophobicContact CB-CE 4.43Å; N386-M389 PolarHBondContact O-N 2.89Å; M389-W391 VanDerWaalsContact C-N 3.33Å; M389-N392 WeakPolarHBondContact O-CB 3.49Å; M389-N392 PolarHBondContact O-N 2.89Å; M389-L393 PolarHBondContact O-N 2.92Å
390	I	98.2	Very high	96.5	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-69.1	-33.6	176.9	-62.4	-65.2	0	0	0	110.8	I200 I203 W206 V220 N386 N392 L393 V394	I200-I390 HydrophobicContact CD1-CG2 4.12Å; I200-I390 HydrophobicContact CG1-CG2 3.92Å; I200-I390 HydrophobicContact CG2-CG2 3.99Å; I203-I390 HydrophobicContact CG2-CD1 4.04Å; W206-I390 HydrophobicContact CB-CB 4.17Å; W206-I390 HydrophobicContact CB-CG1 4.12Å; W206-I390 HydrophobicContact CB-CG2 4.13Å; W206-I390 HydrophobicContact CD2-CB 4.2Å; W206-I390 HydrophobicContact CD2-CG2 3.52Å; W206-I390 HydrophobicContact CE3-CB 3.77Å; W206-I390 HydrophobicContact CE3-CG2 3.38Å; W206-I390 HydrophobicContact CG-CB 4.42Å; W206-I390 HydrophobicContact CG-CG2 3.89Å; W206-I390 HydrophobicContact CZ3-CB 4.5Å; W206-I390 HydrophobicContact CZ3-CG2 3.95Å; V220-I390 HydrophobicContact CG1-CD1 4.35Å; N386-I390 WeakPolarHBondContact O-CB 3.21Å; N386-I390 VanDerWaalsContact O-CG1 3.3Å; N386-I390 WeakPolarHBondContact O-CG1 3.48Å; N386-I390 PolarHBondContact O-N 3.39Å; I390-N392 VanDerWaalsContact C-N 3.35Å; I390-N392 PolarHBondContact O-N 3.23Å; I390-L393 WeakPolarHBondContact O-CB 2.97Å; I390-L393 PolarHBondContact O-N 2.96Å; I390-L393 VanDerWaalsContact O-N 3.14Å; I390-V394 HydrophobicContact CG2-CG2 4.35Å; I390-V394 WeakPolarHBondContact O-CG2 3.39Å; I390-V394 PolarHBondContact O-N 3.28Å
391	W	98.5	Very high	96.4	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-60.5	-41.7	172.3	178.5	-121.6	0	0	0	112.4	Y277 Y280 M281 L284 M299 I302 N387 Y388 M389 L393 V394 Q395	Y277-W391 AromaticContact CE2-CZ2 3.89Å; Y277-W391 HydrophobicContact CE2-CZ2 3.89Å; Y277-W391 AromaticContact CZ-NE1 3.86Å; Y277-W391 PolarHBondContact OH-NE1 3.42Å; Y280-W391 AromaticContact CD1-CH2 3.97Å; Y280-W391 HydrophobicContact CD1-CH2 3.97Å; Y280-W391 HydrophobicContact CD1-CZ2 4.14Å; Y280-W391 AromaticContact CE1-CH2 3.69Å; Y280-W391 HydrophobicContact CE1-CH2 3.69Å; Y280-W391 AromaticContact CE1-CZ2 3.93Å; Y280-W391 HydrophobicContact CE1-CZ2 3.93Å; M281-W391 HydrophobicContact CB-CH2 4.06Å; M281-W391 HydrophobicContact CB-CZ2 4.12Å; M281-W391 HydrophobicContact CG-CH2 3.76Å; M281-W391 HydrophobicContact CG-CZ2 3.33Å; L284-W391 HydrophobicContact CB-CH2 4.4Å; L284-W391 HydrophobicContact CB-CZ3 4.04Å; L284-W391 HydrophobicContact CD1-CH2 4.02Å; L284-W391 HydrophobicContact CD1-CZ3 4.09Å; L284-W391 HydrophobicContact CG-CH2 4.47Å; M299-W391 HydrophobicContact CE-CE3 4.49Å; I302-W391 HydrophobicContact CD1-CB 4.1Å; I302-W391 HydrophobicContact CD1-CG 4.42Å; I302-W391 HydrophobicContact CG2-CB 4.36Å; I302-W391 HydrophobicContact CG2-CG 4.09Å; N387-W391 VanDerWaalsContact O-CB 3.24Å; N387-W391 WeakPolarHBondContact O-CB 3.45Å; N387-W391 PolarHBondContact O-N 3.15Å; Y388-W391 WeakPolarHBondContact O-CB 3.45Å; Y388-W391 PolarHBondContact O-N 3.12Å; M389-W391 VanDerWaalsContact C-N 3.33Å; W391-L393 VanDerWaalsContact C-N 3.29Å; W391-L393 PolarHBondContact O-N 3.27Å; W391-V394 HydrophobicContact CE3-CB 4.15Å; W391-V394 HydrophobicContact CE3-CG1 4.03Å; W391-V394 HydrophobicContact CZ3-CB 4.45Å; W391-V394 HydrophobicContact CZ3-CG1 3.83Å; W391-V394 WeakPolarHBondContact O-CB 3.47Å; W391-V394 PolarHBondContact O-N 3.12Å; W391-Q395 HydrophobicContact CD2-CG 4.42Å; W391-Q395 HydrophobicContact CZ2-CG 4.11Å; W391-Q395 VanDerWaalsContact O-CG 3.26Å; W391-Q395 WeakPolarHBondContact O-CG 3.12Å; W391-Q395 PolarHBondContact O-N 3.04Å
392	N	97.8	Very high	96.4	Very high	13 Å²	13	12 Å²	12	7%	0.07	6%	0.062	C	C	.	.	H	α-helix	trans	-59.9	-38.7	172.7	-87.9	-99.2	0	0	0	112.3	P232 Y388 M389 I390 K396	P232-N392 HydrophobicContact CB-CB 4.31Å; Y388-N392 WeakPolarHBondContact CE2-ND2 3.4Å; Y388-N392 VanDerWaalsContact CZ-ND2 3.32Å; Y388-N392 PolarHBondContact O-N 2.86Å; Y388-N392 PolarHBondContact O-ND2 3.05Å; M389-N392 WeakPolarHBondContact O-CB 3.49Å; M389-N392 PolarHBondContact O-N 2.89Å; I390-N392 VanDerWaalsContact C-N 3.35Å; I390-N392 PolarHBondContact O-N 3.23Å; N392-K396 PolarHBondContact O-N 3.38Å
393	L	96.8	Very high	96.3	Very high	2 Å²	2	10.9 Å²	10.9	1%	0.01	6%	0.057	C	C	.	.	H	α-helix	trans	-66.7	-43.1	173.6	180	69.7	0	0	0	112.1	L199 I203 I224 Y228 M389 I390 W391 Q395 K396 G397	L199-L393 HydrophobicContact CD2-CD1 4.22Å; L199-L393 HydrophobicContact CD2-CD2 4.22Å; L199-L393 HydrophobicContact CD2-CG 4.49Å; L199-L393 HydrophobicContact CG-CD2 4.22Å; I203-L393 HydrophobicContact CD1-CD2 3.28Å; I224-L393 HydrophobicContact CG2-CD2 4.35Å; Y228-L393 HydrophobicContact CD2-CD1 4.27Å; Y228-L393 HydrophobicContact CG-CD1 4.08Å; M389-L393 PolarHBondContact O-N 2.92Å; I390-L393 WeakPolarHBondContact O-CB 2.97Å; I390-L393 PolarHBondContact O-N 2.96Å; I390-L393 VanDerWaalsContact O-N 3.14Å; W391-L393 VanDerWaalsContact C-N 3.29Å; W391-L393 PolarHBondContact O-N 3.27Å; L393-Q395 VanDerWaalsContact C-N 3.28Å; L393-Q395 PolarHBondContact O-N 3.03Å; L393-K396 WeakPolarHBondContact O-CB 3.26Å; L393-K396 PolarHBondContact O-N 2.81Å; L393-K396 VanDerWaalsContact O-N 3.1Å; L393-G397 PolarHBondContact O-N 3.33Å; L393-G397 VanDerWaalsContact O-N 3.11Å
394	V	97.9	Very high	96.3	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-58	-43.7	177.1	168.3	0	0	0	0	110.4	L196 I200 W206 L284 L288 I390 W391 K396 G397 A398	L196-V394 HydrophobicContact CD2-CB 4.39Å; L196-V394 HydrophobicContact CD2-CG1 4.24Å; L196-V394 HydrophobicContact CD2-CG2 4.21Å; I200-V394 HydrophobicContact CD1-CG2 3.84Å; W206-V394 HydrophobicContact CH2-CG2 3.87Å; W206-V394 HydrophobicContact CZ2-CG2 4.41Å; W206-V394 HydrophobicContact CZ3-CG2 4.24Å; L284-V394 HydrophobicContact CD1-CG1 3.93Å; L288-V394 HydrophobicContact CD1-CB 4.45Å; L288-V394 HydrophobicContact CD1-CG1 3.8Å; L288-V394 HydrophobicContact CD1-CG2 3.71Å; I390-V394 HydrophobicContact CG2-CG2 4.35Å; I390-V394 WeakPolarHBondContact O-CG2 3.39Å; I390-V394 PolarHBondContact O-N 3.28Å; W391-V394 HydrophobicContact CE3-CB 4.15Å; W391-V394 HydrophobicContact CE3-CG1 4.03Å; W391-V394 HydrophobicContact CZ3-CB 4.45Å; W391-V394 HydrophobicContact CZ3-CG1 3.83Å; W391-V394 WeakPolarHBondContact O-CB 3.47Å; W391-V394 PolarHBondContact O-N 3.12Å; V394-K396 VanDerWaalsContact C-N 3.26Å; V394-K396 PolarHBondContact O-N 2.95Å; V394-G397 PolarHBondContact O-N 3.07Å; V394-G397 VanDerWaalsContact O-N 3.16Å; V394-A398 VanDerWaalsContact O-CB 3.31Å; V394-A398 WeakPolarHBondContact O-CB 3.49Å; V394-A398 PolarHBondContact O-N 3.4Å
395	Q	95	Very high	96.2	Very high	33 Å²	33	14.5 Å²	14.5	15%	0.154	7%	0.067	C	C	.	.	H	α-helix	trans	-58.8	-36.3	177	-67.4	166.4	19.8	0	0	112.8	F258 Y277 W391 L393	F258-Q395 HydrophobicContact CD2-CB 4.08Å; F258-Q395 HydrophobicContact CD2-CG 3.58Å; F258-Q395 HydrophobicContact CE2-CB 3.93Å; F258-Q395 HydrophobicContact CE2-CG 3.67Å; F258-Q395 HydrophobicContact CG-CG 4.35Å; Y277-Q395 PolarHBondContact OH-NE2 3.26Å; W391-Q395 HydrophobicContact CD2-CG 4.42Å; W391-Q395 HydrophobicContact CZ2-CG 4.11Å; W391-Q395 VanDerWaalsContact O-CG 3.26Å; W391-Q395 WeakPolarHBondContact O-CG 3.12Å; W391-Q395 PolarHBondContact O-N 3.04Å; L393-Q395 VanDerWaalsContact C-N 3.28Å; L393-Q395 PolarHBondContact O-N 3.03Å
396	K	90.6	Very high	96	Very high	36 Å²	36	15.6 Å²	15.6	16%	0.157	7%	0.072	C	C	.	.	H	α-helix	trans	-70.6	-37.3	176.1	-72.7	-76.3	-174.6	166.8	0	112.6	R229 A230 N392 L393 V394 Y533	R229-K396 WeakPolarHBondContact O-CE 3.48Å; R229-K396 PolarHBondContact O-NZ 3.29Å; A230-K396 HydrophobicContact CB-CG 4.31Å; N392-K396 PolarHBondContact O-N 3.38Å; L393-K396 WeakPolarHBondContact O-CB 3.26Å; L393-K396 PolarHBondContact O-N 2.81Å; L393-K396 VanDerWaalsContact O-N 3.1Å; V394-K396 VanDerWaalsContact C-N 3.26Å; V394-K396 PolarHBondContact O-N 2.95Å; K396-Y533 HydrophobicContact CB-CE2 4.37Å
397	G	93.1	Very high	95.7	Very high	3 Å²	3	18.9 Å²	18.9	3%	0.031	9%	0.089	C	C	.	.	H	α-helix	trans	-85.4	-27.9	-176.9	0	0	0	0	0	115	L393 V394 S399 S400	L393-G397 PolarHBondContact O-N 3.33Å; L393-G397 VanDerWaalsContact O-N 3.11Å; V394-G397 PolarHBondContact O-N 3.07Å; V394-G397 VanDerWaalsContact O-N 3.16Å; G397-S399 VanDerWaalsContact C-N 3.28Å; G397-S399 PolarHBondContact O-N 3.34Å; G397-S399 VanDerWaalsContact O-N 3.12Å; G397-S400 PolarHBondContact O-N 2.98Å; G397-S400 PolarHBondContact O-OG 2.9Å
398	A	94.7	Very high	95.5	Very high	4 Å²	4	18.6 Å²	18.6	3%	0.033	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	-57.9	-33.9	-165.5	0	0	0	0	0	114.7	L284 V394 S400 L401 F405	L284-A398 HydrophobicContact CD1-CB 3.99Å; V394-A398 VanDerWaalsContact O-CB 3.31Å; V394-A398 WeakPolarHBondContact O-CB 3.49Å; V394-A398 PolarHBondContact O-N 3.4Å; A398-S400 PolarHBondContact O-N 3.43Å; A398-L401 PolarHBondContact O-N 3.03Å; A398-F405 HydrophobicContact CB-CD1 4.44Å
399	S	90.9	Very high	95.2	Very high	18 Å²	18	19.6 Å²	19.6	13%	0.126	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-74.5	-2.2	-179	56.9	0	0	0	0	114.8	G397	G397-S399 VanDerWaalsContact C-N 3.28Å; G397-S399 PolarHBondContact O-N 3.34Å; G397-S399 VanDerWaalsContact O-N 3.12Å
400	S	94.5	Very high	94.9	Very high	3 Å²	3	20.3 Å²	20.3	2%	0.021	10%	0.097	C	C	.	.	G	3₁₀ helix	trans	-112.9	9	178.2	61.1	0	0	0	0	114.3	G397 A398 F526 M529	G397-S400 PolarHBondContact O-N 2.98Å; G397-S400 PolarHBondContact O-OG 2.9Å; A398-S400 PolarHBondContact O-N 3.43Å; S400-F526 WeakPolarHBondContact OG-CD2 3.39Å; S400-M529 WeakPolarHBondContact OG-CE 3.43Å
401	L	96.8	Very high	94.6	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.01	12%	0.118	C	C	.	.	S	Bend	trans	-98.8	-173.6	178.1	-58.4	177.6	0	0	0	110.8	I188 L196 A398 F405 F526	I188-L401 VanDerWaalsContact CG2-C 3.47Å; I188-L401 VanDerWaalsContact CG2-O 3.31Å; I188-L401 WeakPolarHBondContact CG2-O 3.14Å; L196-L401 HydrophobicContact CB-CD1 3.89Å; L196-L401 HydrophobicContact CB-CD2 4.14Å; L196-L401 HydrophobicContact CD2-CD1 3.68Å; L196-L401 HydrophobicContact CG-CD1 4.44Å; A398-L401 PolarHBondContact O-N 3.03Å; L401-F405 HydrophobicContact CB-CB 4.1Å; L401-F405 HydrophobicContact CB-CD1 4.4Å; L401-F405 HydrophobicContact CB-CD2 3.57Å; L401-F405 HydrophobicContact CB-CE2 4.09Å; L401-F405 HydrophobicContact CB-CG 3.76Å; L401-F405 HydrophobicContact CD1-CD1 3.63Å; L401-F405 HydrophobicContact CD1-CD2 3.95Å; L401-F405 HydrophobicContact CD1-CE1 3.55Å; L401-F405 HydrophobicContact CD1-CE2 3.86Å; L401-F405 HydrophobicContact CD1-CG 3.85Å; L401-F405 HydrophobicContact CD1-CZ 3.67Å; L401-F405 HydrophobicContact CG-CD2 4.43Å; L401-F405 HydrophobicContact CG-CG 4.45Å; L401-F526 HydrophobicContact CD2-CD2 3.56Å; L401-F526 HydrophobicContact CD2-CE2 3.84Å; L401-F526 HydrophobicContact CG-CD2 4.39Å
402	D	96.6	Very high	94.3	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.011	12%	0.119	C	C	.	.			trans	-65.8	170	-178	72.2	43.2	0	0	0	114.8	G192 R404 F405 E406	G192-D402 WeakPolarHBondContact CA-OD2 3.42Å; D402-R404 PolarHBondContact O-N 3.31Å; D402-R404 WeakPolarHBondContact OD1-CA 3.46Å; D402-R404 WeakPolarHBondContact OD1-CB 3.36Å; D402-R404 WeakPolarHBondContact OD1-CG 3.13Å; D402-R404 IonicContact OD1-CZ 2.71Å; D402-R404 PolarHBondContact OD1-N 3.43Å; D402-R404 IonicContact OD1-NE 2.72Å; D402-R404 PolarHBondContact OD1-NE 3.37Å; D402-R404 VanDerWaalsContact OD1-NE 3.08Å; D402-R404 IonicContact OD2-CZ 3.11Å; D402-R404 VanDerWaalsContact OD2-CZ 3.24Å; D402-R404 IonicContact OD2-NE 2.8Å; D402-R404 PolarHBondContact OD2-NE 3.46Å; D402-R404 IonicContact OD2-NH2 3.91Å; D402-R404 PolarHBondContact OD2-NH2 2.89Å; D402-F405 PolarHBondContact O-N 3.21Å; D402-E406 PolarHBondContact O-N 2.87Å
403	Q	94.8	Very high	94	Very high	64 Å²	64	26.8 Å²	26.8	30%	0.299	13%	0.126	S	C	.	.	H	α-helix	trans	-53.8	-24.3	-177	-170.8	65.5	69.7	0	0	113.6	E189 F405 E406 N407	E189-Q403 WeakPolarHBondContact OE1-CB 3.35Å; E189-Q403 PolarHBondContact OE1-N 2.85Å; Q403-F405 VanDerWaalsContact C-N 3.33Å; Q403-E406 PolarHBondContact NE2-OE2 3.1Å; Q403-E406 PolarHBondContact O-N 2.92Å; Q403-N407 PolarHBondContact NE2-OD1 3.48Å; Q403-N407 VanDerWaalsContact O-CB 3.3Å; Q403-N407 WeakPolarHBondContact O-CB 3.17Å; Q403-N407 PolarHBondContact O-N 3.47Å; Q403-N407 PolarHBondContact O-ND2 3.33Å; Q403-N407 PolarHBondContact O-OD1 3.47Å
404	R	96.6	Very high	93.8	Very high	116 Å²	116	30.3 Å²	30.3	44%	0.438	14%	0.142	S	C	.	.	H	α-helix	trans	-66.7	-38.3	178	-55.3	174.3	-71.2	172.6	-7.3	111	L287 D402 A408	L287-R404 HydrophobicContact CD1-CB 3.84Å; L287-R404 HydrophobicContact CD2-CB 3.8Å; L287-R404 HydrophobicContact CD2-CG 4.42Å; D402-R404 PolarHBondContact O-N 3.31Å; D402-R404 WeakPolarHBondContact OD1-CA 3.46Å; D402-R404 WeakPolarHBondContact OD1-CB 3.36Å; D402-R404 WeakPolarHBondContact OD1-CG 3.13Å; D402-R404 IonicContact OD1-CZ 2.71Å; D402-R404 PolarHBondContact OD1-N 3.43Å; D402-R404 IonicContact OD1-NE 2.72Å; D402-R404 PolarHBondContact OD1-NE 3.37Å; D402-R404 VanDerWaalsContact OD1-NE 3.08Å; D402-R404 IonicContact OD2-CZ 3.11Å; D402-R404 VanDerWaalsContact OD2-CZ 3.24Å; D402-R404 IonicContact OD2-NE 2.8Å; D402-R404 PolarHBondContact OD2-NE 3.46Å; D402-R404 IonicContact OD2-NH2 3.91Å; D402-R404 PolarHBondContact OD2-NH2 2.89Å; R404-A408 PolarHBondContact O-N 3.34Å; R404-A408 VanDerWaalsContact O-N 3.12Å
405	F	96.5	Very high	93.6	Very high	1 Å²	1	31.5 Å²	31.5	0%	0.004	15%	0.15	C	C	.	.	H	α-helix	trans	-70.7	-40.1	176.5	-69.3	-96.9	0	0	0	111.4	A193 L284 L287 L288 A398 L401 D402 Q403 A408 Q409	A193-F405 HydrophobicContact CB-CE2 3.76Å; A193-F405 HydrophobicContact CB-CZ 3.67Å; L284-F405 HydrophobicContact CD1-CD1 4.48Å; L284-F405 HydrophobicContact CD2-CD1 3.56Å; L284-F405 HydrophobicContact CD2-CE1 4.12Å; L284-F405 HydrophobicContact CD2-CG 4.33Å; L287-F405 HydrophobicContact CB-CE1 4.04Å; L287-F405 HydrophobicContact CB-CE2 4.14Å; L287-F405 HydrophobicContact CB-CZ 3.66Å; L287-F405 HydrophobicContact CD1-CD1 4.33Å; L287-F405 HydrophobicContact CD1-CD2 4.25Å; L287-F405 HydrophobicContact CD1-CE1 4.35Å; L287-F405 HydrophobicContact CD1-CE2 4.28Å; L287-F405 HydrophobicContact CD1-CG 4.26Å; L287-F405 HydrophobicContact CD1-CZ 4.32Å; L288-F405 HydrophobicContact CD2-CE1 4.04Å; L288-F405 HydrophobicContact CD2-CZ 3.94Å; L288-F405 HydrophobicContact CG-CE1 4.06Å; L288-F405 HydrophobicContact CG-CZ 4.22Å; A398-F405 HydrophobicContact CB-CD1 4.44Å; L401-F405 HydrophobicContact CB-CB 4.1Å; L401-F405 HydrophobicContact CB-CD1 4.4Å; L401-F405 HydrophobicContact CB-CD2 3.57Å; L401-F405 HydrophobicContact CB-CE2 4.09Å; L401-F405 HydrophobicContact CB-CG 3.76Å; L401-F405 HydrophobicContact CD1-CD1 3.63Å; L401-F405 HydrophobicContact CD1-CD2 3.95Å; L401-F405 HydrophobicContact CD1-CE1 3.55Å; L401-F405 HydrophobicContact CD1-CE2 3.86Å; L401-F405 HydrophobicContact CD1-CG 3.85Å; L401-F405 HydrophobicContact CD1-CZ 3.67Å; L401-F405 HydrophobicContact CG-CD2 4.43Å; L401-F405 HydrophobicContact CG-CG 4.45Å; D402-F405 PolarHBondContact O-N 3.21Å; Q403-F405 VanDerWaalsContact C-N 3.33Å; F405-A408 PolarHBondContact O-N 3.16Å; F405-Q409 PolarHBondContact O-N 2.84Å
406	E	92.3	Very high	93.4	Very high	24 Å²	24	30.4 Å²	30.4	11%	0.112	15%	0.146	C	C	.	.	H	α-helix	trans	-61.7	-47.1	173.8	-61.4	-168.2	173.1	0	0	111.3	D402 Q403 A408 Q409 D410 R426	D402-E406 PolarHBondContact O-N 2.87Å; Q403-E406 PolarHBondContact NE2-OE2 3.1Å; Q403-E406 PolarHBondContact O-N 2.92Å; E406-A408 VanDerWaalsContact C-N 3.28Å; E406-A408 PolarHBondContact O-N 2.67Å; E406-Q409 WeakPolarHBondContact O-CB 3.42Å; E406-Q409 PolarHBondContact O-N 3.07Å; E406-D410 PolarHBondContact O-N 3.03Å; E406-D410 VanDerWaalsContact O-OD1 3.09Å; E406-R426 IonicContact OE1-CZ 3.67Å; E406-R426 IonicContact OE1-NH1 2.75Å; E406-R426 PolarHBondContact OE1-NH1 2.87Å; E406-R426 IonicContact OE2-NH1 3.79Å
407	N	92.6	Very high	93.5	Very high	70 Å²	70	30.9 Å²	30.9	37%	0.374	15%	0.147	S	C	.	.	H	α-helix	trans	-60.3	-36.4	177.8	-70	-17.1	0	0	0	112.7	Q403 K411	Q403-N407 PolarHBondContact NE2-OD1 3.48Å; Q403-N407 VanDerWaalsContact O-CB 3.3Å; Q403-N407 WeakPolarHBondContact O-CB 3.17Å; Q403-N407 PolarHBondContact O-N 3.47Å; Q403-N407 PolarHBondContact O-ND2 3.33Å; Q403-N407 PolarHBondContact O-OD1 3.47Å; N407-K411 WeakPolarHBondContact O-CG 3.25Å; N407-K411 PolarHBondContact O-N 3.29Å
408	A	94.8	Very high	93.4	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-66.1	-44.9	174.6	0	0	0	0	0	110.7	Y280 E283 L284 R404 F405 E406 D410 K411	Y280-A408 HydrophobicContact CD2-CB 3.99Å; Y280-A408 WeakPolarHBondContact CD2-O 3.49Å; Y280-A408 HydrophobicContact CE2-CB 4.22Å; E283-A408 HydrophobicContact CB-CB 4.29Å; E283-A408 HydrophobicContact CG-CB 3.85Å; L284-A408 HydrophobicContact CD2-CB 3.72Å; R404-A408 PolarHBondContact O-N 3.34Å; R404-A408 VanDerWaalsContact O-N 3.12Å; F405-A408 PolarHBondContact O-N 3.16Å; E406-A408 VanDerWaalsContact C-N 3.28Å; E406-A408 PolarHBondContact O-N 2.67Å; A408-D410 VanDerWaalsContact C-N 3.32Å; A408-D410 PolarHBondContact O-N 3.48Å; A408-K411 PolarHBondContact O-N 3.34Å
409	Q	92.7	Very high	92.9	Very high	20 Å²	20	32.8 Å²	32.8	9%	0.093	16%	0.163	C	C	.	.	H	α-helix	trans	-61.7	-40.8	176.6	-174	175.1	53.2	0	0	111.6	Y280 F405 E406 K411 L412 L413	Y280-Q409 HydrophobicContact CE2-CB 4.06Å; F405-Q409 PolarHBondContact O-N 2.84Å; E406-Q409 WeakPolarHBondContact O-CB 3.42Å; E406-Q409 PolarHBondContact O-N 3.07Å; Q409-K411 VanDerWaalsContact C-N 3.3Å; Q409-K411 PolarHBondContact O-N 3.12Å; Q409-L412 WeakPolarHBondContact O-CB 3.36Å; Q409-L412 PolarHBondContact O-N 2.86Å; Q409-L412 VanDerWaalsContact O-N 3.1Å; Q409-L413 HydrophobicContact CG-CD1 3.94Å; Q409-L413 HydrophobicContact CG-CG 4.1Å; Q409-L413 WeakPolarHBondContact O-CG 3.44Å; Q409-L413 PolarHBondContact O-N 2.97Å
410	D	90.3	Very high	91.8	Very high	16 Å²	16	37.5 Å²	37.5	9%	0.086	18%	0.181	C	C	.	.	H	α-helix	trans	-58.1	-39.3	-179.3	-77.9	13.7	0	0	0	113.1	E406 A408 L412 L413 E414 K421 S422	E406-D410 PolarHBondContact O-N 3.03Å; E406-D410 VanDerWaalsContact O-OD1 3.09Å; A408-D410 VanDerWaalsContact C-N 3.32Å; A408-D410 PolarHBondContact O-N 3.48Å; D410-L412 VanDerWaalsContact C-N 3.32Å; D410-L412 PolarHBondContact O-N 2.88Å; D410-L413 PolarHBondContact O-N 3.21Å; D410-E414 WeakPolarHBondContact O-CB 3.34Å; D410-E414 PolarHBondContact O-N 3.37Å; D410-K421 VanDerWaalsContact OD1-CB 3.29Å; D410-K421 WeakPolarHBondContact OD1-CB 3.3Å; D410-K421 WeakPolarHBondContact OD1-CD 3.38Å; D410-S422 PolarHBondContact OD2-N 3.01Å
411	K	92	Very high	90.4	Very high	104 Å²	104	39.2 Å²	39.2	45%	0.452	19%	0.188	S	C	.	.	H	α-helix	trans	-64.5	-38.1	177.4	-64.4	170	-162	167.6	0	112	E283 N407 A408 Q409 S415	E283-K411 IonicContact OE1-NZ 3.82Å; E283-K411 PolarHBondContact OE1-NZ 3.21Å; E283-K411 IonicContact OE2-NZ 3.97Å; E283-K411 PolarHBondContact OE2-NZ 2.91Å; N407-K411 WeakPolarHBondContact O-CG 3.25Å; N407-K411 PolarHBondContact O-N 3.29Å; A408-K411 PolarHBondContact O-N 3.34Å; Q409-K411 VanDerWaalsContact C-N 3.3Å; Q409-K411 PolarHBondContact O-N 3.12Å; K411-S415 PolarHBondContact O-N 2.75Å; K411-S415 PolarHBondContact O-OG 3.28Å
412	L	93.8	Very high	88.7	Confident	5 Å²	5	43.3 Å²	43.3	3%	0.026	22%	0.217	C	C	.	.	H	α-helix	trans	-70	-45	175.2	176.8	59.7	0	0	0	111	F258 A276 Y277 Y280 Q409 D410 E414 S415 L416	F258-L412 HydrophobicContact CD1-CD2 4.45Å; F258-L412 HydrophobicContact CE1-CD2 3.58Å; F258-L412 HydrophobicContact CZ-CD2 4.43Å; A276-L412 HydrophobicContact CB-CD1 4.1Å; Y277-L412 HydrophobicContact CD2-CD2 3.87Å; Y280-L412 HydrophobicContact CD1-CD2 3.82Å; Y280-L412 HydrophobicContact CE1-CD2 4.29Å; Y280-L412 HydrophobicContact CG-CB 4.37Å; Y280-L412 HydrophobicContact CG-CD2 4.01Å; Q409-L412 WeakPolarHBondContact O-CB 3.36Å; Q409-L412 PolarHBondContact O-N 2.86Å; Q409-L412 VanDerWaalsContact O-N 3.1Å; D410-L412 VanDerWaalsContact C-N 3.32Å; D410-L412 PolarHBondContact O-N 2.88Å; L412-E414 VanDerWaalsContact C-N 3.27Å; L412-E414 PolarHBondContact O-N 3.42Å; L412-S415 WeakPolarHBondContact O-CB 3.49Å; L412-S415 PolarHBondContact O-N 3.13Å; L412-L416 HydrophobicContact CD1-CD1 4.22Å; L412-L416 HydrophobicContact CD1-CG 4.39Å; L412-L416 HydrophobicContact CG-CD1 4.02Å; L412-L416 PolarHBondContact O-N 3.48Å
413	L	91.6	Very high	87.5	Confident	40 Å²	40	46.2 Å²	46.2	21%	0.209	24%	0.237	C	C	.	.	H	α-helix	trans	-61.6	-35.4	177.2	-66.1	177.8	0	0	0	112	Q409 D410 S415 L416 Y417 K421	Q409-L413 HydrophobicContact CG-CD1 3.94Å; Q409-L413 HydrophobicContact CG-CG 4.1Å; Q409-L413 WeakPolarHBondContact O-CG 3.44Å; Q409-L413 PolarHBondContact O-N 2.97Å; D410-L413 PolarHBondContact O-N 3.21Å; L413-S415 VanDerWaalsContact C-N 3.28Å; L413-S415 PolarHBondContact O-N 3.34Å; L413-L416 PolarHBondContact O-N 3.45Å; L413-Y417 HydrophobicContact CB-CD2 4.27Å; L413-Y417 HydrophobicContact CD2-CD2 3.79Å; L413-Y417 HydrophobicContact CD2-CE2 3.51Å; L413-Y417 WeakPolarHBondContact O-CB 3.44Å; L413-Y417 PolarHBondContact O-N 2.85Å; L413-K421 HydrophobicContact CD1-CB 4.37Å; L413-K421 HydrophobicContact CD1-CD 3.92Å
414	E	91.9	Very high	86.8	Confident	76 Å²	76	44.8 Å²	44.8	36%	0.355	23%	0.232	S	C	.	.	H	α-helix	trans	-62.2	-37.3	173.1	-176.4	177.1	-172.3	0	0	111.5	D410 L412 G418 T419 K420	D410-E414 WeakPolarHBondContact O-CB 3.34Å; D410-E414 PolarHBondContact O-N 3.37Å; L412-E414 VanDerWaalsContact C-N 3.27Å; L412-E414 PolarHBondContact O-N 3.42Å; E414-G418 WeakPolarHBondContact O-CA 3.12Å; E414-G418 PolarHBondContact O-N 2.73Å; E414-T419 WeakPolarHBondContact CA-O 3.3Å; E414-K420 HydrophobicContact CG-CG 4.18Å; E414-K420 WeakPolarHBondContact OE1-CE 3.49Å; E414-K420 IonicContact OE1-NZ 3.72Å; E414-K420 WeakPolarHBondContact OE2-CE 3.36Å; E414-K420 WeakPolarHBondContact OE2-CG 3.47Å
415	S	92.8	Very high	86.5	Confident	24 Å²	24	41.8 Å²	41.8	17%	0.168	23%	0.228	C	C	.	.	H	α-helix	trans	-74.4	-33.5	177.6	-60.9	0	0	0	0	113.1	A276 K411 L412 L413	A276-S415 WeakPolarHBondContact CB-OG 3.31Å; K411-S415 PolarHBondContact O-N 2.75Å; K411-S415 PolarHBondContact O-OG 3.28Å; L412-S415 WeakPolarHBondContact O-CB 3.49Å; L412-S415 PolarHBondContact O-N 3.13Å; L413-S415 VanDerWaalsContact C-N 3.28Å; L413-S415 PolarHBondContact O-N 3.34Å
416	L	91.7	Very high	86.3	Confident	10 Å²	10	43.2 Å²	43.2	5%	0.052	23%	0.233	C	C	.	.	H	α-helix	trans	-79.1	-41.9	179	-79.7	168.6	0	0	0	113.1	Y264 V273 L412 L413 E716	Y264-L416 HydrophobicContact CD1-CD2 4.35Å; Y264-L416 HydrophobicContact CE1-CD2 3.76Å; Y264-L416 HydrophobicContact CE2-CD2 4.29Å; V273-L416 HydrophobicContact CG1-CD2 3.47Å; V273-L416 VanDerWaalsContact CG1-CD2 3.47Å; V273-L416 HydrophobicContact CG1-CG 4.07Å; V273-L416 HydrophobicContact CG2-CD2 4.4Å; L412-L416 HydrophobicContact CD1-CD1 4.22Å; L412-L416 HydrophobicContact CD1-CG 4.39Å; L412-L416 HydrophobicContact CG-CD1 4.02Å; L412-L416 PolarHBondContact O-N 3.48Å; L413-L416 PolarHBondContact O-N 3.45Å; L416-E716 CarbonylContact O-C 3.57Å
417	Y	92.4	Very high	86.5	Confident	46 Å²	46	44.7 Å²	44.7	18%	0.18	24%	0.238	C	C	.	.	H	α-helix	trans	-121.4	-1.1	-167.5	-56.1	-67	0	0	0	113.5	S140 L413 T419 T714 E720	S140-Y417 WeakPolarHBondContact CB-O 3.05Å; L413-Y417 HydrophobicContact CB-CD2 4.27Å; L413-Y417 HydrophobicContact CD2-CD2 3.79Å; L413-Y417 HydrophobicContact CD2-CE2 3.51Å; L413-Y417 WeakPolarHBondContact O-CB 3.44Å; L413-Y417 PolarHBondContact O-N 2.85Å; Y417-T419 VanDerWaalsContact C-N 3.29Å; Y417-T419 PolarHBondContact O-N 3.34Å; Y417-T714 WeakPolarHBondContact O-CB 3.36Å; Y417-T714 PolarHBondContact O-OG1 3.3Å; Y417-E720 HydrophobicContact CD1-CB 4.48Å; Y417-E720 HydrophobicContact CD1-CG 4.31Å; Y417-E720 HydrophobicContact CE1-CB 4.33Å; Y417-E720 HydrophobicContact CE1-CG 3.69Å
418	G	90.8	Very high	86.6	Confident	26 Å²	26	42.3 Å²	42.3	27%	0.268	22%	0.224	S	C	.	.	S	Bend	trans	76.1	11.8	175.4	0	0	0	0	0	114.5	E414	E414-G418 WeakPolarHBondContact O-CA 3.12Å; E414-G418 PolarHBondContact O-N 2.73Å
419	T	83.6	Confident	86.4	Confident	22 Å²	22	43.6 Å²	43.6	14%	0.135	23%	0.233	C	C	.	.	S	Bend	trans	-138.6	142.3	-174.1	67.2	0	0	0	0	114.1	R139 S140 E414 Y417 T714	R139-T419 WeakPolarHBondContact O-CG2 3.25Å; S140-T419 VanDerWaalsContact CA-CG2 3.41Å; E414-T419 WeakPolarHBondContact CA-O 3.3Å; Y417-T419 VanDerWaalsContact C-N 3.29Å; Y417-T419 PolarHBondContact O-N 3.34Å; T419-T714 HydrophobicContact CG2-CG2 3.59Å
420	K	69.4	Low	86.6	Confident	117 Å²	117	42.7 Å²	42.7	51%	0.509	23%	0.228	S	C	.	.			trans	-81.9	119	172.4	-64.3	-177.5	178.9	-177.9	0	110.3	G138 E414 S422	G138-K420 WeakPolarHBondContact CA-O 3.39Å; E414-K420 HydrophobicContact CG-CG 4.18Å; E414-K420 WeakPolarHBondContact OE1-CE 3.49Å; E414-K420 IonicContact OE1-NZ 3.72Å; E414-K420 WeakPolarHBondContact OE2-CE 3.36Å; E414-K420 WeakPolarHBondContact OE2-CG 3.47Å; K420-S422 PolarHBondContact O-N 3.03Å
421	K	63.9	Low	87	Confident	39 Å²	39	42 Å²	42	17%	0.17	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-66.5	-21.3	-178.7	-177.6	-168.9	177.6	-165.6	0	113.2	D410 L413 C423 T424	D410-K421 VanDerWaalsContact OD1-CB 3.29Å; D410-K421 WeakPolarHBondContact OD1-CB 3.3Å; D410-K421 WeakPolarHBondContact OD1-CD 3.38Å; L413-K421 HydrophobicContact CD1-CB 4.37Å; L413-K421 HydrophobicContact CD1-CD 3.92Å; K421-C423 PolarHBondContact O-N 2.69Å; K421-T424 PolarHBondContact O-N 3.01Å
422	S	61.8	Low	87.1	Confident	87 Å²	87	37.7 Å²	37.7	61%	0.608	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	-49.3	-5.5	-178.5	68.6	0	0	0	0	117.2	D410 K420	D410-S422 PolarHBondContact OD2-N 3.01Å; K420-S422 PolarHBondContact O-N 3.03Å
423	C	70.5	Confident	87.2	Confident	64 Å²	64	38.1 Å²	38.1	43%	0.432	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-98.3	-8.1	174.2	-53	0	0	0	0	114.4	D137 K421 P425	D137-C423 HydrophobicContact CB-CB 4.04Å; K421-C423 PolarHBondContact O-N 2.69Å; C423-P425 WeakPolarHBondContact O-CD 3.41Å
424	T	81.6	Confident	87.5	Confident	34 Å²	34	36.2 Å²	36.2	21%	0.209	20%	0.202	C	C	.	.	S	Bend	trans	-79.4	118	176.1	-55.2	0	0	0	0	109.8	K421 Q428	K421-T424 PolarHBondContact O-N 3.01Å; T424-Q428 HydrophobicContact CG2-CB 3.99Å
425	P	89.8	Confident	87.7	Confident	53 Å²	53	33 Å²	33	34%	0.344	19%	0.188	S	C	.	.			trans	-55.6	141	177.1	-25.4	34.4	0	0	0	113.1	C423 W427 Q428 T429	C423-P425 WeakPolarHBondContact O-CD 3.41Å; P425-W427 VanDerWaalsContact CB-CD1 3.41Å; P425-W427 HydrophobicContact CB-CG 4.26Å; P425-W427 VanDerWaalsContact CB-NE1 3.34Å; P425-W427 PolarHBondContact O-N 3.08Å; P425-W427 VanDerWaalsContact O-N 3.16Å; P425-Q428 VanDerWaalsContact CD-OE1 3.27Å; P425-Q428 PolarHBondContact O-N 3.02Å; P425-T429 PolarHBondContact O-N 2.83Å
426	R	92.5	Very high	87.7	Confident	31 Å²	31	34.8 Å²	34.8	12%	0.117	20%	0.195	C	C	.	.	H	α-helix	trans	-49.9	-43.7	179	-177.4	67.1	-175.3	179.6	-0.4	112.7	C182 L183 E185 E406 Q428 T429 C430	C182-R426 PolarHBondContact O-NE 2.97Å; C182-R426 PolarHBondContact O-NH2 2.79Å; L183-R426 HydrophobicContact CD2-CG 4.26Å; E185-R426 HydrophobicContact CG-CG 3.96Å; E406-R426 IonicContact OE1-CZ 3.67Å; E406-R426 IonicContact OE1-NH1 2.75Å; E406-R426 PolarHBondContact OE1-NH1 2.87Å; E406-R426 IonicContact OE2-NH1 3.79Å; R426-Q428 VanDerWaalsContact C-N 3.28Å; R426-Q428 PolarHBondContact O-N 3.09Å; R426-T429 WeakPolarHBondContact O-CB 3.31Å; R426-T429 PolarHBondContact O-N 3.2Å; R426-T429 VanDerWaalsContact O-N 3.11Å; R426-C430 PolarHBondContact O-N 3.15Å; R426-C430 PolarHBondContact O-SG 3.45Å; R426-C430 VanDerWaalsContact O-SG 3.33Å
427	W	95.8	Very high	87.9	Confident	55 Å²	55	34.8 Å²	34.8	21%	0.208	20%	0.196	C	C	.	.	H	α-helix	trans	-58.6	-36.6	179.9	74.4	-101	0	0	0	113	Q153 A154 K157 Y179 L183 P425 C430 I431	Q153-W427 HydrophobicContact CB-CH2 4.38Å; Q153-W427 HydrophobicContact CB-CZ3 3.98Å; A154-W427 HydrophobicContact CB-CH2 4.4Å; K157-W427 HydrophobicContact CB-CE3 3.74Å; K157-W427 HydrophobicContact CB-CZ3 3.79Å; K157-W427 HydrophobicContact CD-CD2 3.49Å; K157-W427 VanDerWaalsContact CD-CD2 3.49Å; K157-W427 HydrophobicContact CD-CE3 3.58Å; K157-W427 HydrophobicContact CD-CG 3.93Å; K157-W427 HydrophobicContact CD-CH2 4.27Å; K157-W427 HydrophobicContact CD-CZ2 4.19Å; K157-W427 HydrophobicContact CD-CZ3 3.97Å; K157-W427 HydrophobicContact CG-CD2 4.06Å; K157-W427 HydrophobicContact CG-CE3 3.75Å; K157-W427 HydrophobicContact CG-CG 4.45Å; K157-W427 HydrophobicContact CG-CZ3 4.24Å; Y179-W427 WeakPolarHBondContact OH-CB 3.48Å; L183-W427 HydrophobicContact CD2-CB 3.93Å; P425-W427 VanDerWaalsContact CB-CD1 3.41Å; P425-W427 HydrophobicContact CB-CG 4.26Å; P425-W427 VanDerWaalsContact CB-NE1 3.34Å; P425-W427 PolarHBondContact O-N 3.08Å; P425-W427 VanDerWaalsContact O-N 3.16Å; W427-C430 PolarHBondContact O-N 3.22Å; W427-I431 HydrophobicContact CE3-CG1 4.05Å; W427-I431 HydrophobicContact CZ3-CG1 4.36Å; W427-I431 WeakPolarHBondContact O-CG1 3.33Å; W427-I431 PolarHBondContact O-N 3.28Å
428	Q	94.1	Very high	88.2	Confident	19 Å²	19	32.6 Å²	32.6	9%	0.089	19%	0.187	C	C	.	.	H	α-helix	trans	-69.1	-40.8	177	-73.8	-170.3	-61.1	0	0	111.4	T424 P425 R426 C430 I431 G432	T424-Q428 HydrophobicContact CG2-CB 3.99Å; P425-Q428 VanDerWaalsContact CD-OE1 3.27Å; P425-Q428 PolarHBondContact O-N 3.02Å; R426-Q428 VanDerWaalsContact C-N 3.28Å; R426-Q428 PolarHBondContact O-N 3.09Å; Q428-C430 VanDerWaalsContact C-N 3.29Å; Q428-C430 PolarHBondContact O-N 3.27Å; Q428-I431 PolarHBondContact O-N 2.79Å; Q428-G432 PolarHBondContact O-N 2.93Å
429	T	92.4	Very high	88.4	Confident	28 Å²	28	31.5 Å²	31.5	17%	0.172	18%	0.176	C	C	.	.	H	α-helix	trans	-59.2	-44.4	172.8	-60.5	0	0	0	0	110.1	P425 R426 G432 N433	P425-T429 PolarHBondContact O-N 2.83Å; R426-T429 WeakPolarHBondContact O-CB 3.31Å; R426-T429 PolarHBondContact O-N 3.2Å; R426-T429 VanDerWaalsContact O-N 3.11Å; T429-G432 PolarHBondContact O-N 3.14Å; T429-N433 PolarHBondContact O-N 3.43Å; T429-N433 PolarHBondContact O-ND2 3.33Å
430	C	96.7	Very high	89.1	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-68.2	-39.2	179.1	-64.2	0	0	0	0	113.2	Y179 C182 L183 R426 W427 Q428 G432 N433 T434	Y179-C430 HydrophobicContact CD2-CB 3.71Å; Y179-C430 HydrophobicContact CE2-CB 3.64Å; C182-C430 HydrophobicContact CB-CB 3.64Å; C182-C430 WeakPolarHBondContact CB-SG 3.45Å; C182-C430 PolarHBondContact O-SG 2.97Å; C182-C430 VanDerWaalsContact O-SG 3.34Å; C182-C430 WeakPolarHBondContact SG-CA 3.47Å; C182-C430 WeakPolarHBondContact SG-CB 3.31Å; C182-C430 CovalentContact SG-SG 2.04Å; C182-C430 PolarHBondContact SG-SG 3.41Å; L183-C430 HydrophobicContact CD2-CB 4.41Å; R426-C430 PolarHBondContact O-N 3.15Å; R426-C430 PolarHBondContact O-SG 3.45Å; R426-C430 VanDerWaalsContact O-SG 3.33Å; W427-C430 PolarHBondContact O-N 3.22Å; Q428-C430 VanDerWaalsContact C-N 3.29Å; Q428-C430 PolarHBondContact O-N 3.27Å; C430-G432 VanDerWaalsContact C-N 3.32Å; C430-G432 PolarHBondContact O-N 3.5Å; C430-N433 PolarHBondContact O-N 3.09Å; C430-T434 WeakPolarHBondContact O-CB 3.46Å; C430-T434 PolarHBondContact O-N 3.16Å; C430-T434 PolarHBondContact O-OG1 3.4Å
431	I	97.6	Very high	90.4	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.005	15%	0.153	C	C	.	.	H	α-helix	trans	-60.2	-43.7	172.2	-68.7	-60.7	0	0	0	111	Q153 L156 L160 Y179 W427 Q428 T434 D435	Q153-I431 HydrophobicContact CB-CG2 4.12Å; Q153-I431 HydrophobicContact CG-CG2 3.81Å; L156-I431 HydrophobicContact CB-CD1 4Å; L156-I431 HydrophobicContact CB-CG2 4.2Å; L156-I431 HydrophobicContact CD1-CG2 3.93Å; L160-I431 HydrophobicContact CD1-CD1 3.55Å; Y179-I431 HydrophobicContact CD2-CD1 3.8Å; Y179-I431 HydrophobicContact CD2-CG1 4.39Å; Y179-I431 HydrophobicContact CE2-CD1 3.48Å; Y179-I431 VanDerWaalsContact CE2-CD1 3.48Å; Y179-I431 HydrophobicContact CE2-CG1 3.77Å; W427-I431 HydrophobicContact CE3-CG1 4.05Å; W427-I431 HydrophobicContact CZ3-CG1 4.36Å; W427-I431 WeakPolarHBondContact O-CG1 3.33Å; W427-I431 PolarHBondContact O-N 3.28Å; Q428-I431 PolarHBondContact O-N 2.79Å; I431-T434 PolarHBondContact O-N 3.43Å; I431-D435 PolarHBondContact O-N 3.17Å
432	G	95.2	Very high	92	Very high	15 Å²	15	24.9 Å²	24.9	16%	0.155	15%	0.145	C	C	.	.	H	α-helix	trans	-58	-51.4	175.4	0	0	0	0	0	112.1	Q428 T429 C430 T434 D435 D436	Q428-G432 PolarHBondContact O-N 2.93Å; T429-G432 PolarHBondContact O-N 3.14Å; C430-G432 VanDerWaalsContact C-N 3.32Å; C430-G432 PolarHBondContact O-N 3.5Å; G432-T434 VanDerWaalsContact C-N 3.26Å; G432-T434 PolarHBondContact O-N 3.14Å; G432-D435 PolarHBondContact O-N 3.48Å; G432-D436 WeakPolarHBondContact O-CB 3.48Å; G432-D436 PolarHBondContact O-N 2.91Å
433	N	95.4	Very high	93.7	Very high	13 Å²	13	20.8 Å²	20.8	7%	0.07	12%	0.116	C	C	.	.	H	α-helix	trans	-61.9	-33.4	177.2	-77.1	-91.6	0	0	0	112.6	M1 Y178 T429 C430 T437 F525	M1-N433 WeakPolarHBondContact CE-OD1 3.41Å; Y178-N433 HydrophobicContact CE1-CB 4.21Å; Y178-N433 WeakPolarHBondContact CE1-O 3.29Å; T429-N433 PolarHBondContact O-N 3.43Å; T429-N433 PolarHBondContact O-ND2 3.33Å; C430-N433 PolarHBondContact O-N 3.09Å; N433-T437 WeakPolarHBondContact O-CB 3.42Å; N433-T437 PolarHBondContact O-N 3.19Å; N433-T437 PolarHBondContact O-OG1 3.21Å; N433-T437 VanDerWaalsContact O-OG1 3.05Å; N433-F525 HydrophobicContact CB-CZ 4.28Å
434	T	97.7	Very high	94.9	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-71.1	-39.5	176.3	-60	0	0	0	0	111.6	L160 T175 Y178 C430 I431 G432 D436 T437 L438 L442	L160-T434 HydrophobicContact CD1-CG2 4.45Å; T175-T434 HydrophobicContact CG2-CG2 3.47Å; T175-T434 VanDerWaalsContact CG2-CG2 3.47Å; Y178-T434 HydrophobicContact CD1-CG2 4.42Å; Y178-T434 WeakPolarHBondContact CD1-OG1 3.36Å; C430-T434 WeakPolarHBondContact O-CB 3.46Å; C430-T434 PolarHBondContact O-N 3.16Å; C430-T434 PolarHBondContact O-OG1 3.4Å; I431-T434 PolarHBondContact O-N 3.43Å; G432-T434 VanDerWaalsContact C-N 3.26Å; G432-T434 PolarHBondContact O-N 3.14Å; T434-D436 VanDerWaalsContact C-N 3.35Å; T434-T437 PolarHBondContact O-N 3.03Å; T434-L438 CarbonylContact O-C 3.36Å; T434-L438 WeakPolarHBondContact O-CA 3.08Å; T434-L438 PolarHBondContact O-N 3.5Å; T434-L442 HydrophobicContact CG2-CD1 4.35Å; T434-L442 HydrophobicContact CG2-CD2 4.27Å
435	D	97	Very high	95.6	Very high	10 Å²	10	16.9 Å²	16.9	5%	0.053	9%	0.09	C	C	.	.	H	α-helix	trans	-66.2	-39.3	176	-167.1	32.9	0	0	0	111.4	W149 I431 G432 T437 G439 L442 T556	W149-D435 WeakPolarHBondContact CH2-OD2 3.49Å; I431-D435 PolarHBondContact O-N 3.17Å; G432-D435 PolarHBondContact O-N 3.48Å; D435-T437 PolarHBondContact O-N 3.36Å; D435-G439 WeakPolarHBondContact O-CA 3.45Å; D435-G439 PolarHBondContact O-N 3.47Å; D435-G439 VanDerWaalsContact OD1-CA 3.29Å; D435-G439 WeakPolarHBondContact OD1-CA 3.44Å; D435-L442 HydrophobicContact CB-CD2 3.66Å; D435-T556 WeakPolarHBondContact OD1-CB 3.47Å; D435-T556 PolarHBondContact OD1-OG1 2.94Å; D435-T556 PolarHBondContact OD2-OG1 2.69Å
436	D	92.9	Very high	95.9	Very high	60 Å²	60	14.5 Å²	14.5	32%	0.321	7%	0.074	S	C	.	.	H	α-helix	trans	-62	-30	176.1	-72	-20.1	0	0	0	113.4	L5 G432 T434	L5-D436 WeakPolarHBondContact CD1-OD1 3.23Å; L5-D436 VanDerWaalsContact CD1-OD2 3.31Å; L5-D436 WeakPolarHBondContact CD1-OD2 3.45Å; L5-D436 HydrophobicContact CD2-CB 3.58Å; L5-D436 VanDerWaalsContact CD2-OD1 3.27Å; L5-D436 WeakPolarHBondContact CD2-OD1 3.45Å; G432-D436 WeakPolarHBondContact O-CB 3.48Å; G432-D436 PolarHBondContact O-N 2.91Å; T434-D436 VanDerWaalsContact C-N 3.35Å
437	T	95.6	Very high	96	Very high	11 Å²	11	13.2 Å²	13.2	7%	0.067	7%	0.07	C	C	.	.	H	α-helix	trans	-101.2	-44.5	-174.3	-61.3	0	0	0	0	113	Y178 N433 T434 D435 Y518 F532	Y178-T437 HydrophobicContact CD2-CG2 4.14Å; Y178-T437 HydrophobicContact CE2-CG2 3.74Å; Y178-T437 PolarHBondContact OH-OG1 3.44Å; N433-T437 WeakPolarHBondContact O-CB 3.42Å; N433-T437 PolarHBondContact O-N 3.19Å; N433-T437 PolarHBondContact O-OG1 3.21Å; N433-T437 VanDerWaalsContact O-OG1 3.05Å; T434-T437 PolarHBondContact O-N 3.03Å; D435-T437 PolarHBondContact O-N 3.36Å; T437-Y518 HydrophobicContact CG2-CE1 3.73Å; T437-Y518 VanDerWaalsContact CG2-OH 3.28Å; T437-Y518 WeakPolarHBondContact CG2-OH 3.47Å; T437-F532 HydrophobicContact CG2-CB 3.92Å; T437-F532 HydrophobicContact CG2-CD1 4.08Å; T437-F532 HydrophobicContact CG2-CD2 3.34Å; T437-F532 HydrophobicContact CG2-CE1 4.43Å; T437-F532 HydrophobicContact CG2-CE2 3.79Å; T437-F532 HydrophobicContact CG2-CG 3.51Å; T437-F532 HydrophobicContact CG2-CZ 4.29Å; T437-F532 WeakPolarHBondContact O-CE2 3.4Å
438	L	97.2	Very high	95.9	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-128.6	26.7	-169.5	-71.5	165	0	0	0	111.4	T175 Y178 T434 F440 A441 L442 Y515 Y518	T175-L438 HydrophobicContact CG2-CB 4.28Å; Y178-L438 HydrophobicContact CG-CD1 4.19Å; T434-L438 CarbonylContact O-C 3.36Å; T434-L438 WeakPolarHBondContact O-CA 3.08Å; T434-L438 PolarHBondContact O-N 3.5Å; L438-F440 VanDerWaalsContact C-N 3.28Å; L438-F440 PolarHBondContact O-N 3.46Å; L438-F440 VanDerWaalsContact O-N 3.12Å; L438-A441 PolarHBondContact O-N 3.33Å; L438-L442 PolarHBondContact O-N 3.08Å; L438-Y515 HydrophobicContact CD2-CD1 3.32Å; L438-Y515 HydrophobicContact CD2-CD2 4.43Å; L438-Y515 HydrophobicContact CD2-CE1 3.37Å; L438-Y515 HydrophobicContact CD2-CE2 4.48Å; L438-Y515 HydrophobicContact CD2-CG 3.86Å; L438-Y515 HydrophobicContact CG-CE1 4.4Å; L438-Y515 PolarHBondContact O-OH 3.46Å; L438-Y518 HydrophobicContact CD1-CE1 4.01Å; L438-Y518 HydrophobicContact CD2-CD1 3.72Å; L438-Y518 HydrophobicContact CD2-CE1 3.71Å; L438-Y518 HydrophobicContact CG-CD1 4.46Å; L438-Y518 HydrophobicContact CG-CE1 3.94Å
439	G	96.8	Very high	95.8	Very high	3 Å²	3	17.8 Å²	17.8	3%	0.031	10%	0.101	C	C	.	.	H	α-helix	trans	-61	-24.5	-168	0	0	0	0	0	116.5	D435 G443	D435-G439 WeakPolarHBondContact O-CA 3.45Å; D435-G439 PolarHBondContact O-N 3.47Å; D435-G439 VanDerWaalsContact OD1-CA 3.29Å; D435-G439 WeakPolarHBondContact OD1-CA 3.44Å; G439-G443 WeakPolarHBondContact O-CA 3.45Å; G439-G443 PolarHBondContact O-N 3.46Å
440	F	96.8	Very high	95.8	Very high	39 Å²	39	19.5 Å²	19.5	17%	0.171	11%	0.112	C	C	.	.	H	α-helix	trans	-74	-35.8	171.4	-65.5	-66.3	0	0	0	112.7	L438 G443 A444 P502 F504 I505 L511 Y515 W553	L438-F440 VanDerWaalsContact C-N 3.28Å; L438-F440 PolarHBondContact O-N 3.46Å; L438-F440 VanDerWaalsContact O-N 3.12Å; F440-G443 PolarHBondContact O-N 3.02Å; F440-A444 PolarHBondContact O-N 3.01Å; F440-P502 HydrophobicContact CD1-CG 4.25Å; F440-P502 HydrophobicContact CE1-CG 4.22Å; F440-F504 HydrophobicContact CB-CZ 4.26Å; F440-F504 HydrophobicContact CD1-CZ 4.15Å; F440-F504 HydrophobicContact CD2-CZ 4.46Å; F440-F504 HydrophobicContact CG-CZ 4.04Å; F440-I505 HydrophobicContact CB-CG2 4.07Å; F440-I505 HydrophobicContact CD1-CG2 4.28Å; F440-L511 HydrophobicContact CB-CD1 4.38Å; F440-Y515 HydrophobicContact CB-CE2 4.48Å; F440-Y515 WeakPolarHBondContact CB-OH 3.25Å; F440-Y515 PolarHBondContact N-OH 3.11Å; F440-Y515 VanDerWaalsContact N-OH 3.17Å; F440-W553 HydrophobicContact CE1-CB 4.01Å; F440-W553 HydrophobicContact CZ-CB 4.12Å; F440-W553 WeakPolarHBondContact CZ-O 3.46Å
441	A	97.5	Very high	95.4	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-72.9	-39.9	174.6	0	0	0	0	0	111	A171 T175 L438 G443 A444 L445 L511 Y515	A171-A441 HydrophobicContact CB-CB 3.97Å; T175-A441 WeakPolarHBondContact OG1-CB 3.46Å; L438-A441 PolarHBondContact O-N 3.33Å; A441-G443 VanDerWaalsContact C-N 3.27Å; A441-G443 PolarHBondContact O-N 2.85Å; A441-A444 WeakPolarHBondContact O-CB 3.4Å; A441-A444 PolarHBondContact O-N 3.16Å; A441-L445 PolarHBondContact O-N 3.37Å; A441-L511 HydrophobicContact CB-CD1 4.23Å; A441-L511 HydrophobicContact CB-CD2 4.26Å; A441-L511 HydrophobicContact CB-CG 4.49Å; A441-Y515 HydrophobicContact CB-CD2 4.36Å; A441-Y515 HydrophobicContact CB-CE2 3.76Å; A441-Y515 PolarHBondContact N-OH 3.26Å
442	L	96.9	Very high	94.7	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-60.9	-39	169.1	-168.1	64.4	0	0	0	111.6	L156 L160 T175 T434 D435 L438 L445 F446	L156-L442 HydrophobicContact CB-CD1 4.46Å; L156-L442 HydrophobicContact CD1-CD1 4.5Å; L156-L442 HydrophobicContact CD1-CD2 3.91Å; L156-L442 HydrophobicContact CD1-CG 4.1Å; L156-L442 HydrophobicContact CD2-CD1 3.69Å; L156-L442 HydrophobicContact CD2-CD2 4.45Å; L156-L442 HydrophobicContact CD2-CG 3.72Å; L156-L442 HydrophobicContact CG-CD1 4.43Å; L156-L442 HydrophobicContact CG-CG 4.44Å; L160-L442 HydrophobicContact CD1-CD1 3.77Å; L160-L442 HydrophobicContact CD2-CD1 4.2Å; L160-L442 HydrophobicContact CG-CD1 4.18Å; T175-L442 HydrophobicContact CG2-CB 4.09Å; T175-L442 HydrophobicContact CG2-CD1 3.94Å; T434-L442 HydrophobicContact CG2-CD1 4.35Å; T434-L442 HydrophobicContact CG2-CD2 4.27Å; D435-L442 HydrophobicContact CB-CD2 3.66Å; L438-L442 PolarHBondContact O-N 3.08Å; L442-L445 WeakPolarHBondContact O-CB 3.47Å; L442-L445 PolarHBondContact O-N 2.97Å; L442-F446 PolarHBondContact O-N 3.05Å
443	G	97.1	Very high	94	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-63.7	-38.7	175.3	0	0	0	0	0	113.2	G439 F440 A441 L445 F446 V447	G439-G443 WeakPolarHBondContact O-CA 3.45Å; G439-G443 PolarHBondContact O-N 3.46Å; F440-G443 PolarHBondContact O-N 3.02Å; A441-G443 VanDerWaalsContact C-N 3.27Å; A441-G443 PolarHBondContact O-N 2.85Å; G443-L445 VanDerWaalsContact C-N 3.32Å; G443-L445 PolarHBondContact O-N 2.98Å; G443-F446 WeakPolarHBondContact O-CB 3.34Å; G443-F446 PolarHBondContact O-N 3.29Å; G443-V447 WeakPolarHBondContact O-CG1 3.38Å; G443-V447 WeakPolarHBondContact O-CG2 3.47Å; G443-V447 PolarHBondContact O-N 3.03Å
444	A	96.3	Very high	93.6	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-58.5	-45.4	173.6	0	0	0	0	0	111.1	F440 A441 K448 I505 L511	F440-A444 PolarHBondContact O-N 3.01Å; A441-A444 WeakPolarHBondContact O-CB 3.4Å; A441-A444 PolarHBondContact O-N 3.16Å; A444-K448 WeakPolarHBondContact O-CB 3.36Å; A444-K448 VanDerWaalsContact O-CD 3.31Å; A444-K448 WeakPolarHBondContact O-CD 3.25Å; A444-K448 WeakPolarHBondContact O-CG 3.31Å; A444-K448 PolarHBondContact O-N 3.11Å; A444-I505 HydrophobicContact CB-CB 4.14Å; A444-I505 HydrophobicContact CB-CD1 4.49Å; A444-I505 HydrophobicContact CB-CG1 4.28Å; A444-I505 VanDerWaalsContact CB-O 3.26Å; A444-I505 WeakPolarHBondContact CB-O 3.19Å; A444-L511 HydrophobicContact CB-CD2 3.86Å
445	L	96	Very high	93.1	Very high	16 Å²	16	35.9 Å²	35.9	8%	0.084	18%	0.184	C	C	.	.	H	α-helix	trans	-62.1	-44.5	174.6	-63.3	173.8	0	0	0	111.5	L159 L160 F165 E172 A441 L442 G443 A449	L159-L445 HydrophobicContact CD1-CB 4.21Å; L160-L445 HydrophobicContact CD2-CD1 3.74Å; F165-L445 HydrophobicContact CE2-CD1 4.09Å; F165-L445 HydrophobicContact CE2-CD2 4.03Å; F165-L445 HydrophobicContact CZ-CD1 4.37Å; F165-L445 HydrophobicContact CZ-CD2 4.41Å; E172-L445 HydrophobicContact CB-CD2 4.42Å; E172-L445 HydrophobicContact CG-CD2 4.02Å; E172-L445 HydrophobicContact CG-CG 4.17Å; A441-L445 PolarHBondContact O-N 3.37Å; L442-L445 WeakPolarHBondContact O-CB 3.47Å; L442-L445 PolarHBondContact O-N 2.97Å; G443-L445 VanDerWaalsContact C-N 3.32Å; G443-L445 PolarHBondContact O-N 2.98Å; L445-A449 PolarHBondContact O-N 3.46Å
446	F	96.3	Very high	92.7	Very high	3 Å²	3	37.6 Å²	37.6	1%	0.013	19%	0.191	C	C	.	.	H	α-helix	trans	-60.6	-51.7	-179.5	-176.5	-104	0	0	0	112.5	N152 L156 L442 G443 A449 T450 P558 A575	N152-F446 HydrophobicContact CB-CE2 3.82Å; N152-F446 HydrophobicContact CB-CZ 4.2Å; L156-F446 HydrophobicContact CD2-CB 3.86Å; L156-F446 HydrophobicContact CD2-CD2 3.99Å; L156-F446 HydrophobicContact CD2-CG 4.38Å; L156-F446 HydrophobicContact CG-CD2 4.18Å; L442-F446 PolarHBondContact O-N 3.05Å; G443-F446 WeakPolarHBondContact O-CB 3.34Å; G443-F446 PolarHBondContact O-N 3.29Å; F446-A449 PolarHBondContact O-N 3.49Å; F446-A449 VanDerWaalsContact O-N 3.13Å; F446-T450 HydrophobicContact CD2-CG2 4.17Å; F446-T450 WeakPolarHBondContact CE1-OG1 3.45Å; F446-T450 HydrophobicContact CE2-CG2 3.88Å; F446-T450 HydrophobicContact CZ-CG2 4.17Å; F446-T450 WeakPolarHBondContact O-CB 3.05Å; F446-T450 PolarHBondContact O-N 2.77Å; F446-T450 PolarHBondContact O-OG1 3Å; F446-P558 HydrophobicContact CB-CB 4.26Å; F446-P558 HydrophobicContact CD1-CB 3.98Å; F446-P558 HydrophobicContact CD2-CB 4.08Å; F446-P558 HydrophobicContact CE1-CB 4.36Å; F446-P558 HydrophobicContact CE2-CB 4.45Å; F446-P558 HydrophobicContact CG-CB 3.83Å; F446-A575 HydrophobicContact CD1-CB 4.43Å; F446-A575 HydrophobicContact CE1-CB 4.15Å
447	V	95.4	Very high	92.6	Very high	5 Å²	5	40 Å²	40	3%	0.03	20%	0.201	C	C	.	.	H	α-helix	trans	-70.6	-35.2	-174.5	-59.3	0	0	0	0	111.9	G443 A449 T450 F451 F501 I505 L506 P557 A575	G443-V447 WeakPolarHBondContact O-CG1 3.38Å; G443-V447 WeakPolarHBondContact O-CG2 3.47Å; G443-V447 PolarHBondContact O-N 3.03Å; V447-A449 PolarHBondContact O-N 3.44Å; V447-T450 PolarHBondContact O-N 2.57Å; V447-F451 HydrophobicContact CB-CB 4.05Å; V447-F451 HydrophobicContact CG1-CB 4.4Å; V447-F451 PolarHBondContact O-N 3.37Å; V447-F501 HydrophobicContact CB-CD1 3.82Å; V447-F501 HydrophobicContact CB-CE1 4.16Å; V447-F501 HydrophobicContact CB-CG 4.38Å; V447-F501 HydrophobicContact CG1-CB 4.04Å; V447-F501 HydrophobicContact CG1-CD1 3.63Å; V447-F501 HydrophobicContact CG1-CE1 4.44Å; V447-F501 HydrophobicContact CG1-CG 4.06Å; V447-F501 HydrophobicContact CG2-CD1 4.07Å; V447-F501 HydrophobicContact CG2-CE1 4.35Å; V447-F501 HydrophobicContact CG2-CG 4.21Å; V447-I505 HydrophobicContact CG2-CD1 4.05Å; V447-L506 HydrophobicContact CG2-CD2 3.84Å; V447-P557 HydrophobicContact CG1-CB 3.75Å; V447-A575 HydrophobicContact CG1-CB 3.86Å
448	K	93	Very high	92.3	Very high	112 Å²	112	41.3 Å²	41.3	49%	0.487	21%	0.207	S	C	.	.	H	α-helix	trans	-58.5	-31.4	172.2	-73.9	169.4	-171.9	174.3	0	112.1	E172 A444 L506	E172-K448 IonicContact OE1-NZ 3.42Å; E172-K448 PolarHBondContact OE1-NZ 3.24Å; E172-K448 IonicContact OE2-NZ 3.96Å; A444-K448 WeakPolarHBondContact O-CB 3.36Å; A444-K448 VanDerWaalsContact O-CD 3.31Å; A444-K448 WeakPolarHBondContact O-CD 3.25Å; A444-K448 WeakPolarHBondContact O-CG 3.31Å; A444-K448 PolarHBondContact O-N 3.11Å; K448-L506 HydrophobicContact CG-CD2 4.08Å
449	A	92.8	Very high	92.1	Very high	57 Å²	57	41.4 Å²	41.4	47%	0.471	21%	0.208	S	C	.	.	H	α-helix	trans	-91.1	-29.8	-177.7	0	0	0	0	0	114.2	L159 L445 F446 V447	L159-A449 HydrophobicContact CD1-CB 3.88Å; L159-A449 HydrophobicContact CD2-CB 4.05Å; L445-A449 PolarHBondContact O-N 3.46Å; F446-A449 PolarHBondContact O-N 3.49Å; F446-A449 VanDerWaalsContact O-N 3.13Å; V447-A449 PolarHBondContact O-N 3.44Å
450	T	91.6	Very high	91.8	Very high	65 Å²	65	44.5 Å²	44.5	40%	0.399	22%	0.221	S	C	.	.	H	α-helix	trans	-123.3	-22.8	-164.4	60.8	0	0	0	0	115.2	V155 F446 V447	V155-T450 HydrophobicContact CG1-CG2 3.84Å; F446-T450 HydrophobicContact CD2-CG2 4.17Å; F446-T450 WeakPolarHBondContact CE1-OG1 3.45Å; F446-T450 HydrophobicContact CE2-CG2 3.88Å; F446-T450 HydrophobicContact CZ-CG2 4.17Å; F446-T450 WeakPolarHBondContact O-CB 3.05Å; F446-T450 PolarHBondContact O-N 2.77Å; F446-T450 PolarHBondContact O-OG1 3Å; V447-T450 PolarHBondContact O-N 2.57Å
451	F	88.6	Confident	91.7	Very high	33 Å²	33	44.2 Å²	44.2	15%	0.145	23%	0.229	C	C	.	.			trans	-112	123.4	-164.8	-162.9	-92.1	0	0	0	112	V447 K456 F501 A575 L578	V447-F451 HydrophobicContact CB-CB 4.05Å; V447-F451 HydrophobicContact CG1-CB 4.4Å; V447-F451 PolarHBondContact O-N 3.37Å; F451-K456 HydrophobicContact CE1-CB 4.11Å; F451-K456 HydrophobicContact CZ-CB 4.44Å; F451-F501 HydrophobicContact CD1-CD1 4.11Å; F451-F501 AromaticContact CD1-CE1 3.62Å; F451-F501 HydrophobicContact CD1-CE1 3.62Å; F451-F501 HydrophobicContact CE1-CD1 4.43Å; F451-F501 HydrophobicContact CE1-CE1 4.02Å; F451-F501 HydrophobicContact CG-CE1 4.44Å; F451-A575 HydrophobicContact CB-CB 4.39Å; F451-A575 HydrophobicContact CD2-CB 3.5Å; F451-A575 HydrophobicContact CE2-CB 3.95Å; F451-A575 HydrophobicContact CG-CB 4.03Å; F451-L578 HydrophobicContact CE2-CB 3.93Å; F451-L578 HydrophobicContact CE2-CD1 3.6Å; F451-L578 HydrophobicContact CE2-CG 4.41Å; F451-L578 HydrophobicContact CZ-CD1 3.74Å
452	D	82.2	Confident	91.6	Very high	65 Å²	65	44.6 Å²	44.6	35%	0.348	23%	0.231	S	C	.	.			trans	-95.3	150.2	177.8	76.8	89.3	0	0	0	111.9	Q454 S455	D452-Q454 VanDerWaalsContact C-N 3.27Å; D452-Q454 PolarHBondContact O-N 2.9Å; D452-Q454 VanDerWaalsContact OD1-CA 3.31Å; D452-Q454 WeakPolarHBondContact OD1-CA 3.28Å; D452-Q454 WeakPolarHBondContact OD1-CB 3.3Å; D452-Q454 PolarHBondContact OD1-N 2.86Å; D452-S455 PolarHBondContact O-N 3.02Å; D452-S455 PolarHBondContact OD1-N 3.3Å; D452-S455 PolarHBondContact OD1-OG 2.79Å; D452-S455 WeakPolarHBondContact OD2-CB 3.44Å; D452-S455 PolarHBondContact OD2-OG 3.35Å
453	K	81.2	Confident	91.6	Very high	163 Å²	163	44.6 Å²	44.6	71%	0.709	23%	0.231	S	C	*	.	H	α-helix	trans	-64.7	-29.9	-178.7	-171.9	178.9	175.9	-176.5	0	112.9	S455 K456 E457	K453-S455 VanDerWaalsContact C-N 3.34Å; K453-K456 WeakPolarHBondContact O-CB 3.45Å; K453-K456 PolarHBondContact O-N 2.89Å; K453-E457 PolarHBondContact O-N 3.44Å
454	Q	87.4	Confident	91.6	Very high	103 Å²	103	48.3 Å²	48.3	48%	0.481	25%	0.251	S	S	.	.	H	α-helix	trans	-70.3	-33.1	-177.2	-170.7	176.8	19.6	0	0	111.5	D452 K456 E457 I458	D452-Q454 VanDerWaalsContact C-N 3.27Å; D452-Q454 PolarHBondContact O-N 2.9Å; D452-Q454 VanDerWaalsContact OD1-CA 3.31Å; D452-Q454 WeakPolarHBondContact OD1-CA 3.28Å; D452-Q454 WeakPolarHBondContact OD1-CB 3.3Å; D452-Q454 PolarHBondContact OD1-N 2.86Å; Q454-K456 VanDerWaalsContact C-N 3.28Å; Q454-K456 PolarHBondContact O-N 2.72Å; Q454-E457 PolarHBondContact O-N 2.88Å; Q454-I458 HydrophobicContact CG-CD1 4.07Å; Q454-I458 WeakPolarHBondContact O-CG1 3.27Å; Q454-I458 PolarHBondContact O-N 2.73Å
455	S	86.8	Confident	91.6	Very high	9 Å²	9	51.1 Å²	51.1	6%	0.063	26%	0.264	C	S	.	.	H	α-helix	trans	-60.8	-34.9	173.8	-72.9	0	0	0	0	112.8	D452 K453 A459	D452-S455 PolarHBondContact O-N 3.02Å; D452-S455 PolarHBondContact OD1-N 3.3Å; D452-S455 PolarHBondContact OD1-OG 2.79Å; D452-S455 WeakPolarHBondContact OD2-CB 3.44Å; D452-S455 PolarHBondContact OD2-OG 3.35Å; K453-S455 VanDerWaalsContact C-N 3.34Å; S455-A459 WeakPolarHBondContact O-CB 3.29Å; S455-A459 PolarHBondContact O-N 2.7Å
456	K	87.9	Confident	91.7	Very high	45 Å²	45	50.4 Å²	50.4	20%	0.196	26%	0.26	C	S	.	.	H	α-helix	trans	-62.6	-51.7	173.2	-171.3	172.9	178.5	173.8	0	111.4	F451 K453 Q454 I458 A459 E460 I499 D503	F451-K456 HydrophobicContact CE1-CB 4.11Å; F451-K456 HydrophobicContact CZ-CB 4.44Å; K453-K456 WeakPolarHBondContact O-CB 3.45Å; K453-K456 PolarHBondContact O-N 2.89Å; Q454-K456 VanDerWaalsContact C-N 3.28Å; Q454-K456 PolarHBondContact O-N 2.72Å; K456-I458 VanDerWaalsContact C-N 3.3Å; K456-I458 PolarHBondContact O-N 2.94Å; K456-A459 PolarHBondContact O-N 3.31Å; K456-A459 VanDerWaalsContact O-N 3.17Å; K456-E460 VanDerWaalsContact CE-OE1 3.29Å; K456-E460 WeakPolarHBondContact CE-OE1 3.44Å; K456-E460 WeakPolarHBondContact O-CG 3.45Å; K456-E460 PolarHBondContact O-N 2.63Å; K456-I499 HydrophobicContact CG-CB 4.31Å; K456-I499 HydrophobicContact CG-CG2 3.98Å; K456-D503 IonicContact NZ-OD1 3.69Å
457	E	90.3	Very high	91.8	Very high	111 Å²	111	51.1 Å²	51.1	52%	0.519	26%	0.263	S	S	.	.	H	α-helix	trans	-60.9	-37.7	-178.9	-66	175.4	-175.2	0	0	112.3	K453 Q454 G461	K453-E457 PolarHBondContact O-N 3.44Å; Q454-E457 PolarHBondContact O-N 2.88Å; E457-G461 PolarHBondContact O-N 2.99Å
458	I	90.8	Very high	91.9	Very high	39 Å²	39	55.5 Å²	55.5	20%	0.2	29%	0.29	C	S	.	.	H	α-helix	trans	-69	-43.4	177	-67	168.5	0	0	0	110.9	Q454 K456 E460 G461 M462 Y583 Q585	Q454-I458 HydrophobicContact CG-CD1 4.07Å; Q454-I458 WeakPolarHBondContact O-CG1 3.27Å; Q454-I458 PolarHBondContact O-N 2.73Å; K456-I458 VanDerWaalsContact C-N 3.3Å; K456-I458 PolarHBondContact O-N 2.94Å; I458-E460 VanDerWaalsContact C-N 3.34Å; I458-G461 PolarHBondContact O-N 3.3Å; I458-M462 HydrophobicContact CG2-SD 4.45Å; I458-M462 WeakPolarHBondContact O-CG 3.34Å; I458-M462 PolarHBondContact O-N 2.89Å; I458-Y583 WeakPolarHBondContact CD1-OH 3.35Å; I458-Y583 HydrophobicContact CG2-CE2 3.77Å; I458-Q585 HydrophobicContact CD1-CG 3.8Å
459	A	91.7	Very high	92.2	Very high	2 Å²	2	50.9 Å²	50.9	2%	0.017	27%	0.272	C	S	.	.	H	α-helix	trans	-63.3	-40.6	177	0	0	0	0	0	111.7	S455 K456 G461 M462 I463 I499 L578 M600	S455-A459 WeakPolarHBondContact O-CB 3.29Å; S455-A459 PolarHBondContact O-N 2.7Å; K456-A459 PolarHBondContact O-N 3.31Å; K456-A459 VanDerWaalsContact O-N 3.17Å; A459-G461 VanDerWaalsContact C-N 3.32Å; A459-G461 PolarHBondContact O-N 2.77Å; A459-M462 PolarHBondContact O-N 3.27Å; A459-I463 WeakPolarHBondContact O-CG2 3.38Å; A459-I463 PolarHBondContact O-N 3.5Å; A459-I499 HydrophobicContact CB-CD1 4.17Å; A459-I499 HydrophobicContact CB-CG2 3.71Å; A459-L578 HydrophobicContact CB-CD2 4.34Å; A459-M600 HydrophobicContact CB-CE 3.79Å; A459-M600 WeakPolarHBondContact O-CE 3.39Å
460	E	92	Very high	92.4	Very high	68 Å²	68	48.3 Å²	48.3	32%	0.318	25%	0.25	S	S	.	.	H	α-helix	trans	-59.8	-39.8	172.4	-75	170.8	178.2	0	0	111.8	K456 I458 I463 N464 I499	K456-E460 VanDerWaalsContact CE-OE1 3.29Å; K456-E460 WeakPolarHBondContact CE-OE1 3.44Å; K456-E460 WeakPolarHBondContact O-CG 3.45Å; K456-E460 PolarHBondContact O-N 2.63Å; I458-E460 VanDerWaalsContact C-N 3.34Å; E460-I463 WeakPolarHBondContact O-CG2 3.4Å; E460-N464 PolarHBondContact O-N 3.12Å; E460-N464 PolarHBondContact O-ND2 2.84Å; E460-I499 HydrophobicContact CB-CD1 4.24Å; E460-I499 HydrophobicContact CG-CD1 3.53Å
461	G	94.2	Very high	92.7	Very high	32 Å²	32	47.6 Å²	47.6	33%	0.33	24%	0.242	S	C	.	.	H	α-helix	trans	-63.2	-46.7	172.8	0	0	0	0	0	112.7	E457 I458 A459 N464 E465	E457-G461 PolarHBondContact O-N 2.99Å; I458-G461 PolarHBondContact O-N 3.3Å; A459-G461 VanDerWaalsContact C-N 3.32Å; A459-G461 PolarHBondContact O-N 2.77Å; G461-N464 PolarHBondContact O-N 3.4Å; G461-E465 PolarHBondContact O-N 2.94Å; G461-E465 VanDerWaalsContact O-N 3.14Å
462	M	95.5	Very high	93	Very high	9 Å²	9	47.7 Å²	47.7	4%	0.044	25%	0.252	C	S	.	.	H	α-helix	trans	-64.4	-44	-178.5	-73.5	-174.9	63.8	0	0	112.6	I458 A459 N464 E465 I466 N592 F593 I596 M600	I458-M462 HydrophobicContact CG2-SD 4.45Å; I458-M462 WeakPolarHBondContact O-CG 3.34Å; I458-M462 PolarHBondContact O-N 2.89Å; A459-M462 PolarHBondContact O-N 3.27Å; M462-N464 VanDerWaalsContact C-N 3.26Å; M462-N464 PolarHBondContact O-N 3.49Å; M462-E465 PolarHBondContact O-N 3.17Å; M462-E465 VanDerWaalsContact O-N 3.17Å; M462-I466 WeakPolarHBondContact O-CD1 3.43Å; M462-I466 WeakPolarHBondContact O-CG1 3.32Å; M462-I466 PolarHBondContact O-N 3.45Å; M462-N592 HydrophobicContact CE-CB 3.94Å; M462-N592 HydrophobicContact SD-CB 4.24Å; M462-F593 HydrophobicContact CE-CD1 4.13Å; M462-F593 HydrophobicContact CE-CE1 4.25Å; M462-F593 HydrophobicContact CE-CG 4.29Å; M462-I596 HydrophobicContact CE-CG2 3.73Å; M462-I596 HydrophobicContact SD-CG2 4.18Å; M462-M600 HydrophobicContact CB-CE 4.35Å; M462-M600 HydrophobicContact CB-SD 3.86Å
463	I	96.1	Very high	93.6	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-62.8	-36.3	178.6	-174.3	61.4	0	0	0	111.5	A459 E460 I466 R467 I499 I571 F573 M600	A459-I463 WeakPolarHBondContact O-CG2 3.38Å; A459-I463 PolarHBondContact O-N 3.5Å; E460-I463 WeakPolarHBondContact O-CG2 3.4Å; I463-I466 PolarHBondContact O-N 2.68Å; I463-R467 VanDerWaalsContact O-CB 3.31Å; I463-R467 WeakPolarHBondContact O-CB 3.43Å; I463-R467 PolarHBondContact O-N 3.2Å; I463-I499 HydrophobicContact CG2-CD1 4.21Å; I463-I571 HydrophobicContact CD1-CD1 3.45Å; I463-I571 VanDerWaalsContact CD1-CD1 3.45Å; I463-I571 HydrophobicContact CG1-CD1 3.72Å; I463-F573 HydrophobicContact CD1-CE2 4.44Å; I463-F573 HydrophobicContact CD1-CZ 4.45Å; I463-M600 HydrophobicContact CB-CE 4.49Å; I463-M600 HydrophobicContact CB-SD 4.1Å; I463-M600 HydrophobicContact CD1-CB 3.79Å; I463-M600 HydrophobicContact CD1-CG 4.1Å
464	N	96.7	Very high	94.3	Very high	77 Å²	77	37.7 Å²	37.7	41%	0.412	21%	0.209	S	C	.	.	H	α-helix	trans	-64.9	-40.1	174.8	-80.9	-51.3	0	0	0	112.7	E460 G461 M462 I466 R467 T468	E460-N464 PolarHBondContact O-N 3.12Å; E460-N464 PolarHBondContact O-ND2 2.84Å; G461-N464 PolarHBondContact O-N 3.4Å; M462-N464 VanDerWaalsContact C-N 3.26Å; M462-N464 PolarHBondContact O-N 3.49Å; N464-I466 VanDerWaalsContact C-N 3.34Å; N464-R467 PolarHBondContact OD1-NH1 3.46Å; N464-T468 WeakPolarHBondContact O-CB 2.98Å; N464-T468 PolarHBondContact O-N 3.26Å; N464-T468 PolarHBondContact O-OG1 3.26Å
465	E	97.5	Very high	94.6	Very high	60 Å²	60	37.2 Å²	37.2	28%	0.28	21%	0.209	S	C	.	.	H	α-helix	trans	-65.1	-39.1	175.7	-69.9	-177.6	168.1	0	0	111.3	G461 M462 T468 A469 F593 A676	G461-E465 PolarHBondContact O-N 2.94Å; G461-E465 VanDerWaalsContact O-N 3.14Å; M462-E465 PolarHBondContact O-N 3.17Å; M462-E465 VanDerWaalsContact O-N 3.17Å; E465-T468 PolarHBondContact O-N 3.29Å; E465-A469 PolarHBondContact O-N 2.95Å; E465-F593 VanDerWaalsContact OE2-CZ 3.3Å; E465-F593 WeakPolarHBondContact OE2-CZ 3.41Å; E465-A676 HydrophobicContact CB-CB 4.41Å
466	I	98.3	Very high	94.9	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-69.9	-45	177.2	-66.1	160.4	0	0	0	111.6	M462 I463 N464 T468 A469 F470 F593 G597 M600 A672 A676	M462-I466 WeakPolarHBondContact O-CD1 3.43Å; M462-I466 WeakPolarHBondContact O-CG1 3.32Å; M462-I466 PolarHBondContact O-N 3.45Å; I463-I466 PolarHBondContact O-N 2.68Å; N464-I466 VanDerWaalsContact C-N 3.34Å; I466-T468 PolarHBondContact O-N 2.91Å; I466-A469 PolarHBondContact O-N 2.69Å; I466-A469 VanDerWaalsContact O-N 3.15Å; I466-F470 PolarHBondContact O-N 2.64Å; I466-F593 HydrophobicContact CG1-CE1 4.3Å; I466-G597 VanDerWaalsContact CD1-O 3.32Å; I466-G597 WeakPolarHBondContact CD1-O 3.43Å; I466-M600 HydrophobicContact CD1-CB 3.51Å; I466-M600 HydrophobicContact CD1-CG 4.33Å; I466-M600 HydrophobicContact CD1-SD 3.88Å; I466-A672 HydrophobicContact CG2-CB 4.06Å; I466-A676 HydrophobicContact CG1-CB 3.88Å
467	R	98.1	Very high	95.2	Very high	18 Å²	18	41.3 Å²	41.3	7%	0.068	23%	0.233	C	C	.	.	H	α-helix	trans	-56.4	-42.1	173.3	-175.3	-171.9	-72.6	123.1	-6.8	110.9	I463 N464 F470 K471 A492 I495 D497 L604	I463-R467 VanDerWaalsContact O-CB 3.31Å; I463-R467 WeakPolarHBondContact O-CB 3.43Å; I463-R467 PolarHBondContact O-N 3.2Å; N464-R467 PolarHBondContact OD1-NH1 3.46Å; R467-F470 PolarHBondContact O-N 3.2Å; R467-K471 HydrophobicContact CG-CD 4.44Å; R467-K471 VanDerWaalsContact O-CG 3.31Å; R467-K471 WeakPolarHBondContact O-CG 3.17Å; R467-K471 PolarHBondContact O-N 3.38Å; R467-A492 WeakPolarHBondContact CD-O 3.15Å; R467-A492 PolarHBondContact NE-O 2.86Å; R467-I495 PolarHBondContact NH2-O 3.24Å; R467-D497 IonicContact CZ-OD1 2.76Å; R467-D497 IonicContact NH1-OD1 3.72Å; R467-D497 IonicContact NH2-OD1 2.74Å; R467-D497 PolarHBondContact NH2-OD1 3.25Å; R467-L604 HydrophobicContact CB-CD1 3.79Å; R467-L604 HydrophobicContact CG-CD1 4.07Å
468	T	97.9	Very high	95.3	Very high	98 Å²	98	45.4 Å²	45.4	60%	0.601	25%	0.249	S	C	*	.	H	α-helix	trans	-63.8	-45.4	176.3	-58.9	0	0	0	0	111.7	N464 E465 I466 K471 G472	N464-T468 WeakPolarHBondContact O-CB 2.98Å; N464-T468 PolarHBondContact O-N 3.26Å; N464-T468 PolarHBondContact O-OG1 3.26Å; E465-T468 PolarHBondContact O-N 3.29Å; I466-T468 PolarHBondContact O-N 2.91Å; T468-K471 PolarHBondContact O-N 3.11Å; T468-G472 PolarHBondContact O-N 3.14Å
469	A	97.9	Very high	95.5	Very high	14 Å²	14	45.1 Å²	45.1	12%	0.116	25%	0.245	C	C	.	.	H	α-helix	trans	-62.7	-43.5	177.5	0	0	0	0	0	112.3	E465 I466 G472 A473 A672 H675 A676	E465-A469 PolarHBondContact O-N 2.95Å; I466-A469 PolarHBondContact O-N 2.69Å; I466-A469 VanDerWaalsContact O-N 3.15Å; A469-G472 PolarHBondContact O-N 3.14Å; A469-A473 PolarHBondContact O-N 3.41Å; A469-A672 WeakPolarHBondContact CB-O 3.46Å; A469-H675 HydrophobicContact CB-CB 3.99Å; A469-A676 HydrophobicContact CB-CB 3.91Å
470	F	97.7	Very high	95.7	Very high	3 Å²	3	45.2 Å²	45.2	1%	0.013	25%	0.246	C	C	.	.	H	α-helix	trans	-59.2	-47.7	175	-178	-90.4	0	0	0	111.7	I466 R467 G472 A473 L474 A492 L604 F608 A672 W765	I466-F470 PolarHBondContact O-N 2.64Å; R467-F470 PolarHBondContact O-N 3.2Å; F470-G472 VanDerWaalsContact C-N 3.28Å; F470-G472 PolarHBondContact O-N 2.89Å; F470-A473 WeakPolarHBondContact O-CB 3.24Å; F470-A473 PolarHBondContact O-N 2.6Å; F470-A473 VanDerWaalsContact O-N 3.14Å; F470-L474 HydrophobicContact CD1-CD1 4.34Å; F470-L474 HydrophobicContact CD1-CG 4.43Å; F470-L474 HydrophobicContact CE1-CD1 4.05Å; F470-L474 HydrophobicContact CE1-CD2 4.21Å; F470-L474 HydrophobicContact CE1-CG 4.18Å; F470-L474 HydrophobicContact CZ-CD2 4.48Å; F470-L474 PolarHBondContact O-N 3.49Å; F470-L474 VanDerWaalsContact O-N 3.16Å; F470-A492 HydrophobicContact CD1-CB 4.42Å; F470-L604 HydrophobicContact CB-CD2 3.71Å; F470-L604 HydrophobicContact CD1-CD2 3.51Å; F470-L604 HydrophobicContact CD2-CD2 3.4Å; F470-L604 HydrophobicContact CE1-CD2 3.92Å; F470-L604 HydrophobicContact CE2-CD2 3.8Å; F470-L604 HydrophobicContact CG-CD2 3.24Å; F470-L604 HydrophobicContact CZ-CD2 4.05Å; F470-F608 HydrophobicContact CD1-CE2 4.37Å; F470-F608 AromaticContact CE1-CD2 3.69Å; F470-F608 HydrophobicContact CE1-CD2 3.69Å; F470-F608 AromaticContact CE1-CE2 3.42Å; F470-F608 HydrophobicContact CE1-CE2 3.42Å; F470-F608 VanDerWaalsContact CE1-CE2 3.42Å; F470-F608 HydrophobicContact CE1-CG 4.39Å; F470-F608 AromaticContact CE1-CZ 3.93Å; F470-F608 HydrophobicContact CE1-CZ 3.93Å; F470-F608 HydrophobicContact CE2-CD2 4.28Å; F470-F608 HydrophobicContact CZ-CB 4.47Å; F470-F608 AromaticContact CZ-CD2 3.35Å; F470-F608 HydrophobicContact CZ-CD2 3.35Å; F470-F608 AromaticContact CZ-CE2 3.63Å; F470-F608 HydrophobicContact CZ-CE2 3.63Å; F470-F608 AromaticContact CZ-CG 3.93Å; F470-F608 HydrophobicContact CZ-CG 3.93Å; F470-F608 HydrophobicContact CZ-CZ 4.4Å; F470-A672 HydrophobicContact CB-CB 4.25Å; F470-W765 HydrophobicContact CE2-CB 4.01Å; F470-W765 HydrophobicContact CE2-CD2 4.44Å; F470-W765 HydrophobicContact CE2-CG 4.2Å; F470-W765 HydrophobicContact CZ-CD2 4.27Å; F470-W765 HydrophobicContact CZ-CE3 4.06Å; F470-W765 HydrophobicContact CZ-CG 4.49Å
471	K	97.6	Very high	95.9	Very high	51 Å²	51	44 Å²	44	22%	0.222	24%	0.241	C	C	.	.	H	α-helix	trans	-62.5	-35.1	176.9	-72.5	176.3	69.1	-175	0	113.1	R467 T468 L474 K489 A492 D493	R467-K471 HydrophobicContact CG-CD 4.44Å; R467-K471 VanDerWaalsContact O-CG 3.31Å; R467-K471 WeakPolarHBondContact O-CG 3.17Å; R467-K471 PolarHBondContact O-N 3.38Å; T468-K471 PolarHBondContact O-N 3.11Å; K471-L474 WeakPolarHBondContact O-CB 3.43Å; K471-L474 PolarHBondContact O-N 2.98Å; K471-K489 HydrophobicContact CG-CG 4.47Å; K471-K489 WeakPolarHBondContact O-CE 3.47Å; K471-A492 HydrophobicContact CD-CB 4.41Å; K471-A492 HydrophobicContact CG-CB 4.01Å; K471-D493 WeakPolarHBondContact CD-OD1 3.48Å; K471-D493 WeakPolarHBondContact CE-OD1 3.46Å; K471-D493 WeakPolarHBondContact CE-OD2 3.44Å; K471-D493 IonicContact NZ-OD1 2.72Å; K471-D493 PolarHBondContact NZ-OD1 3.43Å; K471-D493 IonicContact NZ-OD2 3.63Å; K471-D493 PolarHBondContact NZ-OD2 3.25Å
472	G	95.9	Very high	96	Very high	35 Å²	35	49.7 Å²	49.7	36%	0.361	26%	0.259	S	S	.	.	H	α-helix	trans	-64.2	-42.6	173.7	0	0	0	0	0	111.8	T468 A469 F470 L474 D475	T468-G472 PolarHBondContact O-N 3.14Å; A469-G472 PolarHBondContact O-N 3.14Å; F470-G472 VanDerWaalsContact C-N 3.28Å; F470-G472 PolarHBondContact O-N 2.89Å; G472-L474 VanDerWaalsContact C-N 3.26Å; G472-L474 PolarHBondContact O-N 3.46Å; G472-D475 PolarHBondContact O-N 2.85Å
473	A	95.1	Very high	96	Very high	17 Å²	17	55.5 Å²	55.5	14%	0.14	29%	0.286	C	S	.	.	H	α-helix	trans	-61.8	-33.7	176.9	0	0	0	0	0	112.7	A469 F470 D475 D476 L477	A469-A473 PolarHBondContact O-N 3.41Å; F470-A473 WeakPolarHBondContact O-CB 3.24Å; F470-A473 PolarHBondContact O-N 2.6Å; F470-A473 VanDerWaalsContact O-N 3.14Å; A473-D475 PolarHBondContact O-N 3.43Å; A473-D476 PolarHBondContact O-N 3.13Å; A473-D476 VanDerWaalsContact O-N 3.09Å; A473-L477 PolarHBondContact O-N 2.62Å
474	L	95.7	Very high	96.1	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-55.7	-36.1	176.5	-68.8	176.7	0	0	0	112.3	F470 K471 G472 D476 L477 R485 A488 K489 W765	F470-L474 HydrophobicContact CD1-CD1 4.34Å; F470-L474 HydrophobicContact CD1-CG 4.43Å; F470-L474 HydrophobicContact CE1-CD1 4.05Å; F470-L474 HydrophobicContact CE1-CD2 4.21Å; F470-L474 HydrophobicContact CE1-CG 4.18Å; F470-L474 HydrophobicContact CZ-CD2 4.48Å; F470-L474 PolarHBondContact O-N 3.49Å; F470-L474 VanDerWaalsContact O-N 3.16Å; K471-L474 WeakPolarHBondContact O-CB 3.43Å; K471-L474 PolarHBondContact O-N 2.98Å; G472-L474 VanDerWaalsContact C-N 3.26Å; G472-L474 PolarHBondContact O-N 3.46Å; L474-D476 PolarHBondContact O-N 3.05Å; L474-L477 HydrophobicContact CD2-CD1 3.75Å; L474-L477 PolarHBondContact O-N 3.48Å; L474-R485 WeakPolarHBondContact O-CD 3.48Å; L474-A488 HydrophobicContact CD1-CB 3.85Å; L474-A488 HydrophobicContact CD2-CB 4.28Å; L474-K489 HydrophobicContact CB-CG 4.47Å; L474-K489 HydrophobicContact CD1-CB 4.46Å; L474-K489 HydrophobicContact CD1-CG 3.6Å; L474-W765 HydrophobicContact CD2-CE3 4.03Å; L474-W765 HydrophobicContact CD2-CZ3 3.89Å
475	D	93.4	Very high	96.1	Very high	93 Å²	93	54.2 Å²	54.2	50%	0.497	28%	0.276	S	S	.	.	H	α-helix	trans	-62.2	-29.9	-179.8	-76	-45.2	0	0	0	113.4	G472 A473 K489	G472-D475 PolarHBondContact O-N 2.85Å; A473-D475 PolarHBondContact O-N 3.43Å; D475-K489 WeakPolarHBondContact OD1-CE 3.13Å; D475-K489 IonicContact OD1-NZ 2.87Å; D475-K489 PolarHBondContact OD1-NZ 3.47Å; D475-K489 IonicContact OD2-NZ 3.89Å; D475-K489 PolarHBondContact OD2-NZ 2.99Å
476	D	92.1	Very high	96.1	Very high	132 Å²	132	56 Å²	56	71%	0.706	28%	0.284	S	S	*	.	H	α-helix	trans	-89.3	-7.8	-178.8	-67	-40.3	0	0	0	113.1	A473 L474 K478	A473-D476 PolarHBondContact O-N 3.13Å; A473-D476 VanDerWaalsContact O-N 3.09Å; L474-D476 PolarHBondContact O-N 3.05Å; D476-K478 PolarHBondContact O-N 3.34Å
477	L	94.2	Very high	96.1	Very high	8 Å²	8	57.4 Å²	57.4	4%	0.042	30%	0.296	C	S	.	.			trans	-73.7	93.2	179.9	-65	-173	0	0	0	112	A473 L474 W479 M480 R485 W765	A473-L477 PolarHBondContact O-N 2.62Å; L474-L477 HydrophobicContact CD2-CD1 3.75Å; L474-L477 PolarHBondContact O-N 3.48Å; L477-W479 VanDerWaalsContact C-N 3.28Å; L477-W479 HydrophobicContact CD1-CZ2 4.12Å; L477-W479 PolarHBondContact O-N 3.04Å; L477-M480 PolarHBondContact O-N 3.32Å; L477-R485 PolarHBondContact O-NH1 3.25Å; L477-W765 HydrophobicContact CD1-CE3 3.84Å; L477-W765 HydrophobicContact CD1-CZ3 4.06Å
478	K	92.1	Very high	96.1	Very high	198 Å²	198	56.6 Å²	56.6	86%	0.861	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-18.8	179.4	-62.8	-179.9	-176.2	174	0	114.9	D476 M480	D476-K478 PolarHBondContact O-N 3.34Å; K478-M480 VanDerWaalsContact C-N 3.32Å
479	W	95.4	Very high	96.1	Very high	32 Å²	32	53.3 Å²	53.3	12%	0.121	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-18.5	-177.8	65.3	-99.5	0	0	0	112.8	L477 W625 A632 F633 V764 W765	L477-W479 VanDerWaalsContact C-N 3.28Å; L477-W479 HydrophobicContact CD1-CZ2 4.12Å; L477-W479 PolarHBondContact O-N 3.04Å; W479-W625 HydrophobicContact CH2-CH2 4.18Å; W479-W625 HydrophobicContact CH2-CZ3 4.05Å; W479-W625 HydrophobicContact CZ3-CZ3 4.12Å; W479-A632 HydrophobicContact CB-CB 4.48Å; W479-A632 HydrophobicContact CE3-CB 3.89Å; W479-A632 WeakPolarHBondContact O-CB 2.98Å; W479-F633 HydrophobicContact CH2-CB 3.96Å; W479-F633 AromaticContact CH2-CD2 3.78Å; W479-F633 HydrophobicContact CH2-CD2 3.78Å; W479-F633 HydrophobicContact CH2-CG 4.37Å; W479-F633 HydrophobicContact CZ2-CD2 4.46Å; W479-F633 HydrophobicContact CZ3-CB 3.72Å; W479-F633 HydrophobicContact CZ3-CD2 4.43Å; W479-V764 HydrophobicContact CZ2-CG1 4.35Å; W479-V764 WeakPolarHBondContact CZ2-O 3.31Å; W479-V764 PolarHBondContact NE1-O 2.89Å; W479-W765 AromaticContact CH2-CH2 3.92Å; W479-W765 HydrophobicContact CH2-CH2 3.92Å; W479-W765 HydrophobicContact CH2-CZ2 4.42Å; W479-W765 HydrophobicContact CH2-CZ3 4.23Å; W479-W765 HydrophobicContact CZ2-CE3 4.4Å; W479-W765 HydrophobicContact CZ2-CH2 4.11Å; W479-W765 HydrophobicContact CZ2-CZ3 4.02Å
480	M	96	Very high	96.1	Very high	5 Å²	5	56 Å²	56	3%	0.025	28%	0.282	C	S	.	.	S	Bend	trans	-99.7	145.1	178.5	-171.1	176.4	-72.3	0	0	109.5	L477 K478 T484 R485 W625 W765	L477-M480 PolarHBondContact O-N 3.32Å; K478-M480 VanDerWaalsContact C-N 3.32Å; M480-T484 HydrophobicContact CE-CG2 4.16Å; M480-T484 HydrophobicContact CG-CG2 3.71Å; M480-T484 HydrophobicContact SD-CG2 3.65Å; M480-R485 HydrophobicContact CB-CG 4Å; M480-R485 HydrophobicContact CG-CG 3.87Å; M480-R485 PolarHBondContact O-NH1 2.79Å; M480-R485 HydrophobicContact SD-CB 4.32Å; M480-R485 HydrophobicContact SD-CG 3.76Å; M480-R485 PolarHBondContact SD-N 2.92Å; M480-W625 HydrophobicContact CE-CH2 3.89Å; M480-W625 HydrophobicContact CE-CZ2 4.14Å; M480-W625 HydrophobicContact CE-CZ3 4.11Å; M480-W765 HydrophobicContact CE-CH2 3.59Å; M480-W765 HydrophobicContact CE-CZ3 3.59Å
481	D	96.1	Very high	96.1	Very high	41 Å²	41	55.9 Å²	55.9	22%	0.219	28%	0.282	C	S	.	.			trans	-76	164.1	172.5	70	85.2	0	0	0	112.1	Q483 T484 R485 Q626 S629	D481-Q483 VanDerWaalsContact C-N 3.34Å; D481-Q483 PolarHBondContact O-N 3.19Å; D481-Q483 WeakPolarHBondContact OD1-CA 3.23Å; D481-Q483 VanDerWaalsContact OD1-CB 3.29Å; D481-Q483 WeakPolarHBondContact OD1-CB 3.49Å; D481-Q483 PolarHBondContact OD1-N 3.46Å; D481-T484 VanDerWaalsContact CG-OG1 3.3Å; D481-T484 PolarHBondContact O-N 3.29Å; D481-T484 PolarHBondContact OD1-N 2.75Å; D481-T484 PolarHBondContact OD1-OG1 3.43Å; D481-T484 WeakPolarHBondContact OD2-CB 3.45Å; D481-T484 PolarHBondContact OD2-OG1 3.11Å; D481-R485 WeakPolarHBondContact O-CG 3.46Å; D481-R485 PolarHBondContact O-N 3.04Å; D481-Q626 WeakPolarHBondContact OD2-CB 3.18Å; D481-S629 PolarHBondContact N-OG 3.03Å; D481-S629 VanDerWaalsContact N-OG 3.12Å; D481-S629 PolarHBondContact OD2-OG 2.67Å
482	E	96.1	Very high	96.2	Very high	153 Å²	153	53.5 Å²	53.5	72%	0.715	27%	0.271	S	S	*	.	H	α-helix	trans	-63.1	-37.2	-176.4	-170.6	177.2	175.7	0	0	113.4	R485 Q486	E482-R485 VanDerWaalsContact CA-NH2 3.29Å; E482-R485 PolarHBondContact O-N 3.25Å; E482-Q486 PolarHBondContact O-N 3.4Å
483	Q	96.4	Very high	96.3	Very high	130 Å²	130	56 Å²	56	61%	0.607	28%	0.276	S	S	*	.	H	α-helix	trans	-67.6	-45.2	179.5	-176.4	-175.8	5.6	0	0	110.6	D481 Q486 A487	D481-Q483 VanDerWaalsContact C-N 3.34Å; D481-Q483 PolarHBondContact O-N 3.19Å; D481-Q483 WeakPolarHBondContact OD1-CA 3.23Å; D481-Q483 VanDerWaalsContact OD1-CB 3.29Å; D481-Q483 WeakPolarHBondContact OD1-CB 3.49Å; D481-Q483 PolarHBondContact OD1-N 3.46Å; Q483-Q486 PolarHBondContact O-N 2.96Å; Q483-A487 PolarHBondContact O-N 2.99Å
484	T	97.4	Very high	96.4	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.006	28%	0.283	C	S	.	.	H	α-helix	trans	-66	-38.2	177.4	-54.2	0	0	0	0	111.1	M480 D481 Q486 A487 A488 W625 Q626	M480-T484 HydrophobicContact CE-CG2 4.16Å; M480-T484 HydrophobicContact CG-CG2 3.71Å; M480-T484 HydrophobicContact SD-CG2 3.65Å; D481-T484 VanDerWaalsContact CG-OG1 3.3Å; D481-T484 PolarHBondContact O-N 3.29Å; D481-T484 PolarHBondContact OD1-N 2.75Å; D481-T484 PolarHBondContact OD1-OG1 3.43Å; D481-T484 WeakPolarHBondContact OD2-CB 3.45Å; D481-T484 PolarHBondContact OD2-OG1 3.11Å; T484-Q486 PolarHBondContact O-N 2.63Å; T484-A487 PolarHBondContact O-N 2.99Å; T484-A488 WeakPolarHBondContact O-CB 3.29Å; T484-A488 PolarHBondContact O-N 2.89Å; T484-W625 HydrophobicContact CG2-CB 3.93Å; T484-W625 HydrophobicContact CG2-CD2 3.56Å; T484-W625 HydrophobicContact CG2-CE3 4.11Å; T484-W625 HydrophobicContact CG2-CG 3.46Å; T484-W625 VanDerWaalsContact CG2-CG 3.46Å; T484-Q626 PolarHBondContact OG1-N 2.83Å
485	R	97.5	Very high	96.5	Very high	50 Å²	50	57 Å²	57	19%	0.189	28%	0.284	C	S	.	.	H	α-helix	trans	-59.6	-45.5	172.8	-78.3	-168.1	-66.1	-92.1	-6.4	112.4	L474 L477 M480 D481 E482 A488 K489	L474-R485 WeakPolarHBondContact O-CD 3.48Å; L477-R485 PolarHBondContact O-NH1 3.25Å; M480-R485 HydrophobicContact CB-CG 4Å; M480-R485 HydrophobicContact CG-CG 3.87Å; M480-R485 PolarHBondContact O-NH1 2.79Å; M480-R485 HydrophobicContact SD-CB 4.32Å; M480-R485 HydrophobicContact SD-CG 3.76Å; M480-R485 PolarHBondContact SD-N 2.92Å; D481-R485 WeakPolarHBondContact O-CG 3.46Å; D481-R485 PolarHBondContact O-N 3.04Å; E482-R485 VanDerWaalsContact CA-NH2 3.29Å; E482-R485 PolarHBondContact O-N 3.25Å; R485-A488 PolarHBondContact O-N 3.48Å; R485-K489 WeakPolarHBondContact O-CG 3.33Å; R485-K489 PolarHBondContact O-N 3.39Å
486	Q	97.3	Very high	96.5	Very high	98 Å²	98	56.8 Å²	56.8	46%	0.458	28%	0.277	S	S	.	.	H	α-helix	trans	-64.6	-43.1	178.3	-174.2	57.7	51.9	0	0	111.1	E482 Q483 T484 A488 K489 D490	E482-Q486 PolarHBondContact O-N 3.4Å; Q483-Q486 PolarHBondContact O-N 2.96Å; T484-Q486 PolarHBondContact O-N 2.63Å; Q486-A488 VanDerWaalsContact C-N 3.28Å; Q486-A488 PolarHBondContact O-N 3.27Å; Q486-K489 WeakPolarHBondContact O-CB 3.22Å; Q486-K489 PolarHBondContact O-N 2.88Å; Q486-D490 PolarHBondContact NE2-OD1 2.96Å; Q486-D490 VanDerWaalsContact O-CG 3.26Å; Q486-D490 PolarHBondContact O-N 3.49Å
487	A	97.6	Very high	96.6	Very high	29 Å²	29	52.4 Å²	52.4	24%	0.24	25%	0.253	C	S	.	.	H	α-helix	trans	-62.5	-35.8	175.7	0	0	0	0	0	112.3	Q483 T484 D490 K491 W624	Q483-A487 PolarHBondContact O-N 2.99Å; T484-A487 PolarHBondContact O-N 2.99Å; A487-D490 PolarHBondContact O-N 3.36Å; A487-K491 PolarHBondContact O-N 2.81Å; A487-W624 HydrophobicContact CB-CE3 3.63Å; A487-W624 HydrophobicContact CB-CZ3 3.8Å
488	A	98.1	Very high	96.6	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-67	-38.2	175.7	0	0	0	0	0	111.8	L474 T484 R485 Q486 K491 A492 F608 W624	L474-A488 HydrophobicContact CD1-CB 3.85Å; L474-A488 HydrophobicContact CD2-CB 4.28Å; T484-A488 WeakPolarHBondContact O-CB 3.29Å; T484-A488 PolarHBondContact O-N 2.89Å; R485-A488 PolarHBondContact O-N 3.48Å; Q486-A488 VanDerWaalsContact C-N 3.28Å; Q486-A488 PolarHBondContact O-N 3.27Å; A488-K491 PolarHBondContact O-N 2.79Å; A488-A492 WeakPolarHBondContact O-CB 3.37Å; A488-A492 PolarHBondContact O-N 3.27Å; A488-F608 HydrophobicContact CB-CD1 4.4Å; A488-F608 HydrophobicContact CB-CE1 3.9Å; A488-F608 WeakPolarHBondContact O-CZ 3.46Å; A488-W624 HydrophobicContact CB-CH2 4.39Å; A488-W624 HydrophobicContact CB-CZ3 4.31Å
489	K	98.2	Very high	96.7	Very high	30 Å²	30	43.2 Å²	43.2	13%	0.13	21%	0.214	C	C	.	.	H	α-helix	trans	-62.1	-46.2	171.3	-72	175.8	171.4	-171.2	0	111.7	K471 L474 D475 R485 Q486 K491 A492 D493	K471-K489 HydrophobicContact CG-CG 4.47Å; K471-K489 WeakPolarHBondContact O-CE 3.47Å; L474-K489 HydrophobicContact CB-CG 4.47Å; L474-K489 HydrophobicContact CD1-CB 4.46Å; L474-K489 HydrophobicContact CD1-CG 3.6Å; D475-K489 WeakPolarHBondContact OD1-CE 3.13Å; D475-K489 IonicContact OD1-NZ 2.87Å; D475-K489 PolarHBondContact OD1-NZ 3.47Å; D475-K489 IonicContact OD2-NZ 3.89Å; D475-K489 PolarHBondContact OD2-NZ 2.99Å; R485-K489 WeakPolarHBondContact O-CG 3.33Å; R485-K489 PolarHBondContact O-N 3.39Å; Q486-K489 WeakPolarHBondContact O-CB 3.22Å; Q486-K489 PolarHBondContact O-N 2.88Å; K489-K491 VanDerWaalsContact C-N 3.29Å; K489-K491 PolarHBondContact O-N 2.89Å; K489-A492 PolarHBondContact O-N 3.28Å; K489-D493 PolarHBondContact O-N 3.31Å
490	D	98.3	Very high	96.6	Very high	70 Å²	70	41.7 Å²	41.7	37%	0.374	21%	0.208	S	C	.	.	H	α-helix	trans	-62.4	-37.9	178.7	-63.7	-7.9	0	0	0	111.3	Q486 A487 A494	Q486-D490 PolarHBondContact NE2-OD1 2.96Å; Q486-D490 VanDerWaalsContact O-CG 3.26Å; Q486-D490 PolarHBondContact O-N 3.49Å; A487-D490 PolarHBondContact O-N 3.36Å; D490-A494 WeakPolarHBondContact O-CB 3.26Å; D490-A494 PolarHBondContact O-N 3.32Å; D490-A494 VanDerWaalsContact O-N 3.15Å
491	K	98.4	Very high	96.6	Very high	1 Å²	1	42.7 Å²	42.7	0%	0.004	21%	0.212	C	C	.	.	H	α-helix	trans	-65	-46.3	172.7	179	170.6	-171.3	-172.1	0	111.9	A487 A488 K489 D493 A494 I495 Y564 N569 A607 F608 G612 Y615 D616 K617 W624	A487-K491 PolarHBondContact O-N 2.81Å; A488-K491 PolarHBondContact O-N 2.79Å; K489-K491 VanDerWaalsContact C-N 3.29Å; K489-K491 PolarHBondContact O-N 2.89Å; K491-D493 VanDerWaalsContact C-N 3.27Å; K491-D493 PolarHBondContact O-N 3.13Å; K491-A494 PolarHBondContact O-N 2.96Å; K491-I495 WeakPolarHBondContact O-CG1 3.39Å; K491-I495 PolarHBondContact O-N 3.46Å; K491-Y564 PolarHBondContact NZ-OH 3.26Å; K491-N569 WeakPolarHBondContact CE-OD1 3.41Å; K491-N569 PolarHBondContact O-ND2 2.85Å; K491-A607 WeakPolarHBondContact CE-O 3.44Å; K491-A607 PolarHBondContact NZ-O 2.9Å; K491-F608 HydrophobicContact CB-CE1 4.04Å; K491-F608 HydrophobicContact CB-CZ 4.13Å; K491-F608 HydrophobicContact CD-CD1 4.47Å; K491-F608 HydrophobicContact CD-CE1 3.87Å; K491-F608 HydrophobicContact CD-CZ 4.24Å; K491-F608 HydrophobicContact CG-CE1 4.04Å; K491-F608 HydrophobicContact CG-CZ 4.01Å; K491-G612 PolarHBondContact NZ-O 3.17Å; K491-Y615 WeakPolarHBondContact CE-O 3.31Å; K491-Y615 PolarHBondContact NZ-O 3.26Å; K491-D616 WeakPolarHBondContact CE-O 3.22Å; K491-K617 HydrophobicContact CB-CB 4.11Å; K491-K617 HydrophobicContact CG-CB 4.4Å; K491-W624 HydrophobicContact CB-CH2 4.28Å; K491-W624 HydrophobicContact CD-CH2 3.84Å; K491-W624 HydrophobicContact CD-CZ2 3.62Å
492	A	98.2	Very high	96.5	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-60.9	-36.9	178.6	0	0	0	0	0	112.2	R467 F470 K471 A488 K489 A494 I495 F608	R467-A492 WeakPolarHBondContact CD-O 3.15Å; R467-A492 PolarHBondContact NE-O 2.86Å; F470-A492 HydrophobicContact CD1-CB 4.42Å; K471-A492 HydrophobicContact CD-CB 4.41Å; K471-A492 HydrophobicContact CG-CB 4.01Å; A488-A492 WeakPolarHBondContact O-CB 3.37Å; A488-A492 PolarHBondContact O-N 3.27Å; K489-A492 PolarHBondContact O-N 3.28Å; A492-A494 VanDerWaalsContact C-N 3.32Å; A492-I495 PolarHBondContact O-N 3Å; A492-F608 HydrophobicContact CB-CE2 4.33Å; A492-F608 HydrophobicContact CB-CZ 3.95Å
493	D	97.8	Very high	96.2	Very high	87 Å²	87	39.2 Å²	39.2	47%	0.465	20%	0.199	S	C	.	.	H	α-helix	trans	-68	-30.6	174.2	-76.9	-27.5	0	0	0	113	K471 K489 K491 I495	K471-D493 WeakPolarHBondContact CD-OD1 3.48Å; K471-D493 WeakPolarHBondContact CE-OD1 3.46Å; K471-D493 WeakPolarHBondContact CE-OD2 3.44Å; K471-D493 IonicContact NZ-OD1 2.72Å; K471-D493 PolarHBondContact NZ-OD1 3.43Å; K471-D493 IonicContact NZ-OD2 3.63Å; K471-D493 PolarHBondContact NZ-OD2 3.25Å; K489-D493 PolarHBondContact O-N 3.31Å; K491-D493 VanDerWaalsContact C-N 3.27Å; K491-D493 PolarHBondContact O-N 3.13Å; D493-I495 VanDerWaalsContact C-N 3.34Å
494	A	98	Very high	96.1	Very high	34 Å²	34	34.5 Å²	34.5	28%	0.281	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-5.6	178.8	0	0	0	0	0	114.2	D490 K491 A492 Y496 K617	D490-A494 WeakPolarHBondContact O-CB 3.26Å; D490-A494 PolarHBondContact O-N 3.32Å; D490-A494 VanDerWaalsContact O-N 3.15Å; K491-A494 PolarHBondContact O-N 2.96Å; A492-A494 VanDerWaalsContact C-N 3.32Å; A494-Y496 PolarHBondContact O-N 3.46Å; A494-K617 HydrophobicContact CB-CB 3.85Å
495	I	97.5	Very high	96	Very high	5 Å²	5	34.5 Å²	34.5	3%	0.026	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-64.4	119.6	178.7	-67.5	172	0	0	0	109.5	R467 K491 A492 D493 N569 I571 L604 A607 F608	R467-I495 PolarHBondContact NH2-O 3.24Å; K491-I495 WeakPolarHBondContact O-CG1 3.39Å; K491-I495 PolarHBondContact O-N 3.46Å; A492-I495 PolarHBondContact O-N 3Å; D493-I495 VanDerWaalsContact C-N 3.34Å; I495-N569 VanDerWaalsContact CA-O 3.29Å; I495-N569 WeakPolarHBondContact CA-O 3.5Å; I495-I571 HydrophobicContact CG2-CB 4.4Å; I495-I571 HydrophobicContact CG2-CD1 3.81Å; I495-I571 HydrophobicContact CG2-CG1 3.77Å; I495-I571 HydrophobicContact CG2-CG2 3.94Å; I495-L604 HydrophobicContact CD1-CG 4.01Å; I495-A607 HydrophobicContact CD1-CB 3.8Å; I495-A607 HydrophobicContact CG1-CB 4.46Å; I495-F608 HydrophobicContact CD1-CE2 4.3Å
496	Y	94.8	Very high	95.8	Very high	88 Å²	88	35.9 Å²	35.9	35%	0.345	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	121.6	176.9	-176.6	-117.1	0	0	0	110.8	A494 M498 R550 D551 N569 G570 I571	A494-Y496 PolarHBondContact O-N 3.46Å; Y496-M498 HydrophobicContact CD1-CE 4.02Å; Y496-M498 HydrophobicContact CD1-CG 3.82Å; Y496-M498 HydrophobicContact CD1-SD 4.24Å; Y496-M498 HydrophobicContact CE1-CE 4.31Å; Y496-M498 HydrophobicContact CE1-CG 3.52Å; Y496-M498 HydrophobicContact CE1-SD 3.93Å; Y496-R550 VanDerWaalsContact CB-NH2 3.32Å; Y496-R550 HydrophobicContact CE1-CB 4.37Å; Y496-D551 PolarHBondContact OH-OD1 3.22Å; Y496-N569 PolarHBondContact N-O 2.69Å; Y496-G570 CarbonylContact O-C 3.55Å; Y496-G570 WeakPolarHBondContact O-CA 3.2Å; Y496-I571 PolarHBondContact O-N 3.32Å
497	D	93.2	Very high	95.7	Very high	40 Å²	40	34.7 Å²	34.7	21%	0.214	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	135.7	177.6	49.4	-88.1	0	0	0	112.4	R467 I571	R467-D497 IonicContact CZ-OD1 2.76Å; R467-D497 IonicContact NH1-OD1 3.72Å; R467-D497 IonicContact NH2-OD1 2.74Å; R467-D497 PolarHBondContact NH2-OD1 3.25Å; D497-I571 HydrophobicContact CB-CD1 4.17Å; D497-I571 HydrophobicContact CB-CG1 3.9Å
498	M	93.8	Very high	95.6	Very high	10 Å²	10	35.1 Å²	35.1	5%	0.049	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	116.7	177.3	-70	179.6	-92.7	0	0	109.3	Y496 W553 I571 V572 F573	Y496-M498 HydrophobicContact CD1-CE 4.02Å; Y496-M498 HydrophobicContact CD1-CG 3.82Å; Y496-M498 HydrophobicContact CD1-SD 4.24Å; Y496-M498 HydrophobicContact CE1-CE 4.31Å; Y496-M498 HydrophobicContact CE1-CG 3.52Å; Y496-M498 HydrophobicContact CE1-SD 3.93Å; M498-W553 HydrophobicContact CB-CH2 4.27Å; M498-W553 HydrophobicContact CB-CZ2 3.54Å; M498-W553 HydrophobicContact CG-CZ2 4.46Å; M498-W553 PolarHBondContact SD-NE1 2.9Å; M498-I571 PolarHBondContact N-O 3.36Å; M498-V572 HydrophobicContact CB-CB 4.39Å; M498-V572 HydrophobicContact CB-CG1 4.15Å; M498-V572 HydrophobicContact CB-CG2 4Å; M498-V572 HydrophobicContact CE-CG2 3.35Å; M498-V572 CarbonylContact O-C 3.59Å; M498-V572 WeakPolarHBondContact O-CA 3.5Å; M498-V572 HydrophobicContact SD-CG2 4.12Å; M498-F573 PolarHBondContact O-N 3.12Å
499	I	94	Very high	95.5	Very high	4 Å²	4	40.6 Å²	40.6	2%	0.021	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	129.7	-166.9	-66	170	0	0	0	111.1	K456 A459 E460 I463 F501 F573 L578	K456-I499 HydrophobicContact CG-CB 4.31Å; K456-I499 HydrophobicContact CG-CG2 3.98Å; A459-I499 HydrophobicContact CB-CD1 4.17Å; A459-I499 HydrophobicContact CB-CG2 3.71Å; E460-I499 HydrophobicContact CB-CD1 4.24Å; E460-I499 HydrophobicContact CG-CD1 3.53Å; I463-I499 HydrophobicContact CG2-CD1 4.21Å; I499-F501 VanDerWaalsContact C-N 3.34Å; I499-F501 PolarHBondContact O-N 3.45Å; I499-F573 HydrophobicContact CG1-CD2 4.1Å; I499-L578 HydrophobicContact CG2-CD1 3.79Å
500	G	94.8	Very high	95.4	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	80.7	-72.2	177.1	0	0	0	0	0	112.8	F573 P574 A575	G500-F573 PolarHBondContact N-O 3.44Å; G500-P574 CarbonylContact O-C 3.58Å; G500-A575 WeakPolarHBondContact O-CB 3.35Å; G500-A575 PolarHBondContact O-N 3.34Å
501	F	94.8	Very high	95.2	Very high	26 Å²	26	38.9 Å²	38.9	11%	0.114	20%	0.199	C	C	.	.			trans	-159	156.5	-175	53.9	-91.8	0	0	0	112.3	V447 F451 I499 I505 L506 W553 P557	V447-F501 HydrophobicContact CB-CD1 3.82Å; V447-F501 HydrophobicContact CB-CE1 4.16Å; V447-F501 HydrophobicContact CB-CG 4.38Å; V447-F501 HydrophobicContact CG1-CB 4.04Å; V447-F501 HydrophobicContact CG1-CD1 3.63Å; V447-F501 HydrophobicContact CG1-CE1 4.44Å; V447-F501 HydrophobicContact CG1-CG 4.06Å; V447-F501 HydrophobicContact CG2-CD1 4.07Å; V447-F501 HydrophobicContact CG2-CE1 4.35Å; V447-F501 HydrophobicContact CG2-CG 4.21Å; F451-F501 HydrophobicContact CD1-CD1 4.11Å; F451-F501 AromaticContact CD1-CE1 3.62Å; F451-F501 HydrophobicContact CD1-CE1 3.62Å; F451-F501 HydrophobicContact CE1-CD1 4.43Å; F451-F501 HydrophobicContact CE1-CE1 4.02Å; F451-F501 HydrophobicContact CG-CE1 4.44Å; I499-F501 VanDerWaalsContact C-N 3.34Å; I499-F501 PolarHBondContact O-N 3.45Å; F501-I505 HydrophobicContact CB-CD1 3.61Å; F501-I505 HydrophobicContact CB-CG1 4.46Å; F501-I505 HydrophobicContact CD2-CD1 4.21Å; F501-I505 HydrophobicContact CD2-CG1 4.25Å; F501-I505 HydrophobicContact CG-CD1 4.14Å; F501-L506 HydrophobicContact CD2-CD1 4.31Å; F501-L506 HydrophobicContact CD2-CG 4.34Å; F501-L506 HydrophobicContact CE2-CD1 3.38Å; F501-L506 HydrophobicContact CE2-CG 3.87Å; F501-L506 HydrophobicContact CZ-CD1 3.69Å; F501-W553 VanDerWaalsContact N-CH2 3.35Å; F501-P557 HydrophobicContact CB-CB 4.13Å; F501-P557 HydrophobicContact CB-CG 3.88Å
502	P	93.5	Very high	95.2	Very high	6 Å²	6	40.6 Å²	40.6	4%	0.039	21%	0.208	C	C	.	.			trans	-74.6	136.1	169.8	25.5	-25.2	0	0	0	110.8	F440 F504 I505 W553	F440-P502 HydrophobicContact CD1-CG 4.25Å; F440-P502 HydrophobicContact CE1-CG 4.22Å; P502-F504 VanDerWaalsContact C-N 3.25Å; P502-F504 HydrophobicContact CB-CD1 3.68Å; P502-F504 HydrophobicContact CB-CE1 3.61Å; P502-F504 HydrophobicContact CG-CD1 4.05Å; P502-F504 HydrophobicContact CG-CE1 3.53Å; P502-F504 HydrophobicContact CG-CZ 4.29Å; P502-F504 PolarHBondContact O-N 3.18Å; P502-F504 VanDerWaalsContact O-N 3.16Å; P502-I505 HydrophobicContact CG-CG2 3.94Å; P502-I505 WeakPolarHBondContact O-CG1 3.38Å; P502-I505 PolarHBondContact O-N 3.37Å; P502-W553 HydrophobicContact CB-CD2 4.48Å; P502-W553 HydrophobicContact CB-CG 4.38Å; P502-W553 HydrophobicContact CG-CD2 4.14Å; P502-W553 HydrophobicContact CG-CG 4.1Å
503	D	91.5	Very high	95.1	Very high	114 Å²	114	44 Å²	44	61%	0.61	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	-60.7	-31.2	-169.5	-68.7	-25	0	0	0	113.7	K456 I505 L506	K456-D503 IonicContact NZ-OD1 3.69Å; D503-I505 PolarHBondContact O-N 3.32Å; D503-I505 VanDerWaalsContact O-N 3.09Å; D503-L506 PolarHBondContact O-N 3.1Å; D503-L506 VanDerWaalsContact O-N 3.11Å
504	F	93	Very high	94.9	Very high	32 Å²	32	40.6 Å²	40.6	14%	0.14	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-58.3	-26.3	-177.6	81	-95.5	0	0	0	113.5	F440 P502 L506 D507 E510 L511 V514	F440-F504 HydrophobicContact CB-CZ 4.26Å; F440-F504 HydrophobicContact CD1-CZ 4.15Å; F440-F504 HydrophobicContact CD2-CZ 4.46Å; F440-F504 HydrophobicContact CG-CZ 4.04Å; P502-F504 VanDerWaalsContact C-N 3.25Å; P502-F504 HydrophobicContact CB-CD1 3.68Å; P502-F504 HydrophobicContact CB-CE1 3.61Å; P502-F504 HydrophobicContact CG-CD1 4.05Å; P502-F504 HydrophobicContact CG-CE1 3.53Å; P502-F504 HydrophobicContact CG-CZ 4.29Å; P502-F504 PolarHBondContact O-N 3.18Å; P502-F504 VanDerWaalsContact O-N 3.16Å; F504-L506 PolarHBondContact O-N 3.03Å; F504-D507 PolarHBondContact O-N 2.82Å; F504-D507 VanDerWaalsContact O-N 3.12Å; F504-D507 VanDerWaalsContact O-O 3.11Å; F504-E510 WeakPolarHBondContact CA-OE2 3.49Å; F504-E510 HydrophobicContact CB-CB 4.11Å; F504-E510 WeakPolarHBondContact CB-OE2 3.44Å; F504-L511 HydrophobicContact CE2-CD1 4.27Å; F504-V514 HydrophobicContact CD2-CG2 4.13Å; F504-V514 HydrophobicContact CE2-CG2 3.77Å
505	I	95	Very high	94.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-70	-17.1	-177.3	77.2	179.4	0	0	0	112.5	F440 A444 V447 F501 P502 D503 L511 P557	F440-I505 HydrophobicContact CB-CG2 4.07Å; F440-I505 HydrophobicContact CD1-CG2 4.28Å; A444-I505 HydrophobicContact CB-CB 4.14Å; A444-I505 HydrophobicContact CB-CD1 4.49Å; A444-I505 HydrophobicContact CB-CG1 4.28Å; A444-I505 VanDerWaalsContact CB-O 3.26Å; A444-I505 WeakPolarHBondContact CB-O 3.19Å; V447-I505 HydrophobicContact CG2-CD1 4.05Å; F501-I505 HydrophobicContact CB-CD1 3.61Å; F501-I505 HydrophobicContact CB-CG1 4.46Å; F501-I505 HydrophobicContact CD2-CD1 4.21Å; F501-I505 HydrophobicContact CD2-CG1 4.25Å; F501-I505 HydrophobicContact CG-CD1 4.14Å; P502-I505 HydrophobicContact CG-CG2 3.94Å; P502-I505 WeakPolarHBondContact O-CG1 3.38Å; P502-I505 PolarHBondContact O-N 3.37Å; D503-I505 PolarHBondContact O-N 3.32Å; D503-I505 VanDerWaalsContact O-N 3.09Å; I505-L511 HydrophobicContact CB-CD1 4.41Å; I505-L511 HydrophobicContact CG2-CD1 4.46Å; I505-P557 HydrophobicContact CD1-CG 3.65Å
506	L	93.4	Very high	94.7	Very high	80 Å²	80	44.5 Å²	44.5	42%	0.419	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-90.3	-12.5	176.1	-63.6	-171.3	0	0	0	112.9	V447 K448 F501 D503 F504	V447-L506 HydrophobicContact CG2-CD2 3.84Å; K448-L506 HydrophobicContact CG-CD2 4.08Å; F501-L506 HydrophobicContact CD2-CD1 4.31Å; F501-L506 HydrophobicContact CD2-CG 4.34Å; F501-L506 HydrophobicContact CE2-CD1 3.38Å; F501-L506 HydrophobicContact CE2-CG 3.87Å; F501-L506 HydrophobicContact CZ-CD1 3.69Å; D503-L506 PolarHBondContact O-N 3.1Å; D503-L506 VanDerWaalsContact O-N 3.11Å; F504-L506 PolarHBondContact O-N 3.03Å
507	D	95.4	Very high	94.7	Very high	73 Å²	73	42.4 Å²	42.4	39%	0.39	23%	0.23	S	C	.	.	S	Bend	trans	-91.6	110.7	168.2	-170.5	-50.8	0	0	0	109	F504 K509 E510 L511	F504-D507 PolarHBondContact O-N 2.82Å; F504-D507 VanDerWaalsContact O-N 3.12Å; F504-D507 VanDerWaalsContact O-O 3.11Å; D507-K509 PolarHBondContact O-N 3.24Å; D507-K509 WeakPolarHBondContact OD1-CA 3.29Å; D507-K509 VanDerWaalsContact OD1-CB 3.31Å; D507-K509 WeakPolarHBondContact OD1-CB 3.32Å; D507-K509 PolarHBondContact OD1-N 3.3Å; D507-E510 HydrophobicContact CB-CB 4.15Å; D507-E510 HydrophobicContact CB-CG 4.08Å; D507-E510 PolarHBondContact O-N 3.25Å; D507-E510 PolarHBondContact OD1-N 2.85Å; D507-L511 WeakPolarHBondContact O-CB 3.39Å; D507-L511 PolarHBondContact O-N 3.46Å
508	S	95.3	Very high	94.9	Very high	38 Å²	38	40.6 Å²	40.6	27%	0.266	22%	0.22	S	C	.	.	H	α-helix	trans	-58.8	-31	-177.8	-62.1	0	0	0	0	113.2	D512	S508-D512 VanDerWaalsContact O-CB 3.24Å; S508-D512 WeakPolarHBondContact O-CB 3.29Å; S508-D512 PolarHBondContact O-N 3.34Å
509	K	96.7	Very high	95	Very high	115 Å²	115	45.9 Å²	45.9	50%	0.5	25%	0.245	S	C	.	.	H	α-helix	trans	-73	-47.4	179.9	-175.1	-173.1	170.1	-161.6	0	110.4	Y15 D507 L511 D512 D513	Y15-K509 WeakPolarHBondContact OH-CE 3.43Å; Y15-K509 PolarHBondContact OH-NZ 3.17Å; D507-K509 PolarHBondContact O-N 3.24Å; D507-K509 WeakPolarHBondContact OD1-CA 3.29Å; D507-K509 VanDerWaalsContact OD1-CB 3.31Å; D507-K509 WeakPolarHBondContact OD1-CB 3.32Å; D507-K509 PolarHBondContact OD1-N 3.3Å; K509-L511 VanDerWaalsContact C-N 3.3Å; K509-L511 PolarHBondContact O-N 2.9Å; K509-D512 PolarHBondContact O-N 2.91Å; K509-D513 WeakPolarHBondContact O-CB 3.3Å; K509-D513 PolarHBondContact O-N 3.47Å
510	E	95.3	Very high	95.1	Very high	63 Å²	63	46.8 Å²	46.8	29%	0.294	25%	0.25	S	S	.	.	H	α-helix	trans	-64.2	-38.5	178.1	-61.9	-170.9	173.8	0	0	111.3	F504 D507 D513 V514	F504-E510 WeakPolarHBondContact CA-OE2 3.49Å; F504-E510 HydrophobicContact CB-CB 4.11Å; F504-E510 WeakPolarHBondContact CB-OE2 3.44Å; D507-E510 HydrophobicContact CB-CB 4.15Å; D507-E510 HydrophobicContact CB-CG 4.08Å; D507-E510 PolarHBondContact O-N 3.25Å; D507-E510 PolarHBondContact OD1-N 2.85Å; E510-D513 PolarHBondContact O-N 3.35Å; E510-V514 VanDerWaalsContact O-CG2 3.32Å; E510-V514 WeakPolarHBondContact O-CG2 3.38Å; E510-V514 PolarHBondContact O-N 3.18Å
511	L	96	Very high	95.1	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-65.1	-40.4	174.4	-176.2	65.1	0	0	0	112.7	A171 E172 F440 A441 A444 F504 I505 D507 K509 V514 Y515	A171-L511 HydrophobicContact CB-CD2 4.21Å; A171-L511 HydrophobicContact CB-CG 3.83Å; E172-L511 HydrophobicContact CG-CD2 4.27Å; F440-L511 HydrophobicContact CB-CD1 4.38Å; A441-L511 HydrophobicContact CB-CD1 4.23Å; A441-L511 HydrophobicContact CB-CD2 4.26Å; A441-L511 HydrophobicContact CB-CG 4.49Å; A444-L511 HydrophobicContact CB-CD2 3.86Å; F504-L511 HydrophobicContact CE2-CD1 4.27Å; I505-L511 HydrophobicContact CB-CD1 4.41Å; I505-L511 HydrophobicContact CG2-CD1 4.46Å; D507-L511 WeakPolarHBondContact O-CB 3.39Å; D507-L511 PolarHBondContact O-N 3.46Å; K509-L511 VanDerWaalsContact C-N 3.3Å; K509-L511 PolarHBondContact O-N 2.9Å; L511-V514 WeakPolarHBondContact O-CB 3.46Å; L511-V514 PolarHBondContact O-N 2.04Å; L511-Y515 HydrophobicContact CD1-CD2 4.4Å; L511-Y515 HydrophobicContact CD1-CE2 3.91Å; L511-Y515 WeakPolarHBondContact O-CD2 3.38Å
512	D	97.7	Very high	95	Very high	38 Å²	38	53.3 Å²	53.3	20%	0.203	29%	0.285	C	S	.	.	H	α-helix	trans	-67.9	-39.9	177.3	-72.2	-8.1	0	0	0	111.1	S169 E170 A171 S508 K509 V514 Y515 D516	S169-D512 WeakPolarHBondContact CB-OD1 3.16Å; S169-D512 PolarHBondContact OG-OD1 2.71Å; E170-D512 VanDerWaalsContact N-CG 3.26Å; E170-D512 PolarHBondContact N-OD1 3.22Å; E170-D512 PolarHBondContact N-OD2 3.08Å; A171-D512 WeakPolarHBondContact CB-OD1 3.21Å; A171-D512 PolarHBondContact N-OD1 3.01Å; S508-D512 VanDerWaalsContact O-CB 3.24Å; S508-D512 WeakPolarHBondContact O-CB 3.29Å; S508-D512 PolarHBondContact O-N 3.34Å; K509-D512 PolarHBondContact O-N 2.91Å; D512-V514 PolarHBondContact O-N 3.41Å; D512-Y515 CarbonylContact O-C 3.45Å; D512-Y515 PolarHBondContact O-N 3.19Å; D512-Y515 VanDerWaalsContact O-N 3.12Å; D512-D516 PolarHBondContact O-N 2.92Å; D512-D516 VanDerWaalsContact O-N 3.15Å
513	D	95.4	Very high	95	Very high	72 Å²	72	57.3 Å²	57.3	39%	0.385	31%	0.306	S	S	.	.	H	α-helix	trans	-61.9	-29.9	176.9	-72.2	-22	0	0	0	112.1	Y15 K509 E510	Y15-D513 WeakPolarHBondContact CE2-OD2 3.34Å; K509-D513 WeakPolarHBondContact O-CB 3.3Å; K509-D513 PolarHBondContact O-N 3.47Å; E510-D513 PolarHBondContact O-N 3.35Å
514	V	93.4	Very high	95.1	Very high	14 Å²	14	53.8 Å²	53.8	9%	0.085	29%	0.287	C	S	.	.	H	α-helix	trans	-64.1	-47.8	173.6	165.2	0	0	0	0	110.1	M12 F504 E510 L511 D512 D516 F535	M12-V514 HydrophobicContact CB-CG1 4.25Å; M12-V514 HydrophobicContact CB-CG2 4.39Å; M12-V514 HydrophobicContact CE-CB 4.41Å; M12-V514 HydrophobicContact CE-CG1 3.19Å; M12-V514 HydrophobicContact CG-CG1 4.46Å; M12-V514 VanDerWaalsContact SD-C 3.59Å; M12-V514 HydrophobicContact SD-CB 4.1Å; M12-V514 HydrophobicContact SD-CG1 3.45Å; M12-V514 WeakPolarHBondContact SD-CG1 3.42Å; F504-V514 HydrophobicContact CD2-CG2 4.13Å; F504-V514 HydrophobicContact CE2-CG2 3.77Å; E510-V514 VanDerWaalsContact O-CG2 3.32Å; E510-V514 WeakPolarHBondContact O-CG2 3.38Å; E510-V514 PolarHBondContact O-N 3.18Å; L511-V514 WeakPolarHBondContact O-CB 3.46Å; L511-V514 PolarHBondContact O-N 2.04Å; D512-V514 PolarHBondContact O-N 3.41Å; V514-D516 VanDerWaalsContact C-N 3.29Å; V514-D516 PolarHBondContact O-N 2.96Å; V514-F535 WeakPolarHBondContact O-CZ 3.31Å
515	Y	96.2	Very high	95.3	Very high	5 Å²	5	52.4 Å²	52.4	2%	0.02	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	21.4	-178.1	-60.3	-78.2	0	0	0	113.9	A171 K174 L438 F440 A441 L511 D512 Y518 F535	A171-Y515 HydrophobicContact CB-CD2 3.59Å; A171-Y515 HydrophobicContact CB-CE2 4.31Å; A171-Y515 HydrophobicContact CB-CG 4.35Å; K174-Y515 PolarHBondContact NZ-O 3.17Å; K174-Y515 VanDerWaalsContact NZ-O 3.12Å; L438-Y515 HydrophobicContact CD2-CD1 3.32Å; L438-Y515 HydrophobicContact CD2-CD2 4.43Å; L438-Y515 HydrophobicContact CD2-CE1 3.37Å; L438-Y515 HydrophobicContact CD2-CE2 4.48Å; L438-Y515 HydrophobicContact CD2-CG 3.86Å; L438-Y515 HydrophobicContact CG-CE1 4.4Å; L438-Y515 PolarHBondContact O-OH 3.46Å; F440-Y515 HydrophobicContact CB-CE2 4.48Å; F440-Y515 WeakPolarHBondContact CB-OH 3.25Å; F440-Y515 PolarHBondContact N-OH 3.11Å; F440-Y515 VanDerWaalsContact N-OH 3.17Å; A441-Y515 HydrophobicContact CB-CD2 4.36Å; A441-Y515 HydrophobicContact CB-CE2 3.76Å; A441-Y515 PolarHBondContact N-OH 3.26Å; L511-Y515 HydrophobicContact CD1-CD2 4.4Å; L511-Y515 HydrophobicContact CD1-CE2 3.91Å; L511-Y515 WeakPolarHBondContact O-CD2 3.38Å; D512-Y515 CarbonylContact O-C 3.45Å; D512-Y515 PolarHBondContact O-N 3.19Å; D512-Y515 VanDerWaalsContact O-N 3.12Å; Y515-Y518 PolarHBondContact O-N 3.48Å; Y515-F535 HydrophobicContact CD1-CE1 4.3Å; Y515-F535 HydrophobicContact CD1-CZ 4.34Å
516	D	95.5	Very high	95.5	Very high	117 Å²	117	52.9 Å²	52.9	63%	0.626	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	136.8	175.5	-173.7	34.8	0	0	0	111	D512 V514 Y518 F535	D512-D516 PolarHBondContact O-N 2.92Å; D512-D516 VanDerWaalsContact O-N 3.15Å; V514-D516 VanDerWaalsContact C-N 3.29Å; V514-D516 PolarHBondContact O-N 2.96Å; D516-Y518 PolarHBondContact O-N 2.87Å; D516-F535 WeakPolarHBondContact O-CE2 3.2Å
517	G	94.5	Very high	95.6	Very high	44 Å²	44	52.8 Å²	52.8	45%	0.454	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.5	0.6	-174	0	0	0	0	0	116
518	Y	97.3	Very high	95.7	Very high	1 Å²	1	49.3 Å²	49.3	0%	0.004	26%	0.262	C	S	.	.			trans	-86.9	109	167.2	-178.2	-138.9	0	0	0	111.1	K174 Y178 T437 L438 Y515 D516 V520 N528 N531 F532 F535	K174-Y518 WeakPolarHBondContact CD-O 3.44Å; K174-Y518 WeakPolarHBondContact CE-O 3.28Å; K174-Y518 PolarHBondContact NZ-O 3.15Å; Y178-Y518 VanDerWaalsContact CD2-OH 3.27Å; Y178-Y518 WeakPolarHBondContact CD2-OH 3.37Å; Y178-Y518 VanDerWaalsContact CE2-OH 3.3Å; Y178-Y518 WeakPolarHBondContact CE2-OH 3.38Å; T437-Y518 HydrophobicContact CG2-CE1 3.73Å; T437-Y518 VanDerWaalsContact CG2-OH 3.28Å; T437-Y518 WeakPolarHBondContact CG2-OH 3.47Å; L438-Y518 HydrophobicContact CD1-CE1 4.01Å; L438-Y518 HydrophobicContact CD2-CD1 3.72Å; L438-Y518 HydrophobicContact CD2-CE1 3.71Å; L438-Y518 HydrophobicContact CG-CD1 4.46Å; L438-Y518 HydrophobicContact CG-CE1 3.94Å; Y515-Y518 PolarHBondContact O-N 3.48Å; D516-Y518 PolarHBondContact O-N 2.87Å; Y518-V520 HydrophobicContact CD1-CG2 3.79Å; Y518-V520 HydrophobicContact CE1-CG2 3.33Å; Y518-V520 HydrophobicContact CE2-CG2 4.09Å; Y518-V520 HydrophobicContact CG-CG2 4.35Å; Y518-V520 VanDerWaalsContact CZ-CG2 3.48Å; Y518-N528 PolarHBondContact OH-O 3.24Å; Y518-N531 HydrophobicContact CD2-CB 4.36Å; Y518-N531 HydrophobicContact CE2-CB 3.93Å; Y518-F532 HydrophobicContact CE1-CD2 4.48Å; Y518-F532 HydrophobicContact CE2-CB 3.7Å; Y518-F532 HydrophobicContact CE2-CD2 4.48Å; Y518-F535 HydrophobicContact CD2-CB 4.06Å; Y518-F535 HydrophobicContact CD2-CG 4.29Å; Y518-F535 HydrophobicContact CG-CB 4.48Å; Y518-F535 HydrophobicContact CG-CD1 4.29Å; Y518-F535 HydrophobicContact CG-CG 4.21Å
519	E	95.9	Very high	95.8	Very high	122 Å²	122	47.8 Å²	47.8	57%	0.57	25%	0.251	S	S	*	.			trans	-91.5	127.6	-179.8	-64.3	-60.2	149.5	0	0	112	N531	E519-N531 PolarHBondContact O-ND2 3.44Å
520	V	97.5	Very high	95.7	Very high	23 Å²	23	42.9 Å²	42.9	14%	0.139	23%	0.23	C	C	.	.			trans	-129.4	133.8	-178.5	-179	0	0	0	0	109.9	K174 Y178 Y518 N528	K174-V520 HydrophobicContact CB-CB 4.44Å; K174-V520 HydrophobicContact CB-CG2 4.17Å; K174-V520 HydrophobicContact CG-CB 4.42Å; K174-V520 HydrophobicContact CG-CG2 4.34Å; Y178-V520 HydrophobicContact CD2-CG1 4.39Å; Y518-V520 HydrophobicContact CD1-CG2 3.79Å; Y518-V520 HydrophobicContact CE1-CG2 3.33Å; Y518-V520 HydrophobicContact CE2-CG2 4.09Å; Y518-V520 HydrophobicContact CG-CG2 4.35Å; Y518-V520 VanDerWaalsContact CZ-CG2 3.48Å; V520-N528 WeakPolarHBondContact CA-OD1 3.28Å
521	T	94.3	Very high	95.7	Very high	60 Å²	60	41.9 Å²	41.9	37%	0.368	23%	0.227	S	C	.	.			trans	-119.8	153.2	171.9	77.9	0	0	0	0	111.6	S181 D523 N528	S181-T521 WeakPolarHBondContact CB-O 3.46Å; T521-D523 VanDerWaalsContact C-N 3.29Å; T521-D523 VanDerWaalsContact CB-OD1 3.29Å; T521-D523 WeakPolarHBondContact CB-OD1 3.26Å; T521-D523 PolarHBondContact O-N 2.99Å; T521-D523 PolarHBondContact OG1-OD1 3.34Å; T521-N528 PolarHBondContact N-OD1 3.43Å; T521-N528 PolarHBondContact O-ND2 3.43Å
522	E	92.4	Very high	95.8	Very high	102 Å²	102	42.7 Å²	42.7	48%	0.477	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-12.2	-178.5	-68.8	-173.4	-179.8	0	0	113.9	S177 S181	S177-E522 VanDerWaalsContact CB-CG 3.45Å; S177-E522 WeakPolarHBondContact OG-CG 3.48Å; S177-E522 PolarHBondContact OG-OE1 3.28Å; S181-E522 VanDerWaalsContact CA-O 3.24Å; S181-E522 WeakPolarHBondContact CA-O 3.32Å; S181-E522 WeakPolarHBondContact CB-O 3.3Å
523	D	92.6	Very high	95.7	Very high	90 Å²	90	42 Å²	42	48%	0.481	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.2	0.2	-168.3	68.5	-28.3	0	0	0	114.3	R187 T521	R187-D523 WeakPolarHBondContact CG-O 3.45Å; T521-D523 VanDerWaalsContact C-N 3.29Å; T521-D523 VanDerWaalsContact CB-OD1 3.29Å; T521-D523 WeakPolarHBondContact CB-OD1 3.26Å; T521-D523 PolarHBondContact O-N 2.99Å; T521-D523 PolarHBondContact OG1-OD1 3.34Å
524	N	94.7	Very high	95.6	Very high	40 Å²	40	40.7 Å²	40.7	21%	0.214	22%	0.218	C	C	.	.			trans	-143.8	81.4	-175.1	-162	-23.4	0	0	0	113.5	F526 Q527 N528	N524-F526 PolarHBondContact O-N 3.33Å; N524-Q527 HydrophobicContact CB-CB 4.01Å; N524-Q527 WeakPolarHBondContact ND2-CB 3.39Å; N524-Q527 PolarHBondContact O-N 3.3Å; N524-Q527 VanDerWaalsContact OD1-CB 3.29Å; N524-Q527 WeakPolarHBondContact OD1-CB 3.45Å; N524-Q527 PolarHBondContact OD1-N 2.83Å; N524-N528 PolarHBondContact O-N 2.67Å; N524-N528 PolarHBondContact O-ND2 3.47Å
525	F	97.4	Very high	95.8	Very high	4 Å²	4	40.9 Å²	40.9	2%	0.018	22%	0.218	C	C	.	.	H	α-helix	trans	-59.3	-44	179.3	-178.4	-125.6	0	0	0	113.5	Y178 C182 I188 N433 Q527 N528 M529	Y178-F525 AromaticContact CE1-CE2 3.97Å; Y178-F525 HydrophobicContact CE1-CE2 3.97Å; Y178-F525 HydrophobicContact CE2-CE2 4.49Å; Y178-F525 AromaticContact CZ-CE2 3.81Å; C182-F525 HydrophobicContact CB-CD2 3.62Å; C182-F525 HydrophobicContact CB-CE1 4.49Å; C182-F525 HydrophobicContact CB-CE2 3.56Å; C182-F525 HydrophobicContact CB-CG 4.15Å; C182-F525 HydrophobicContact CB-CZ 4.03Å; I188-F525 HydrophobicContact CD1-CB 4.14Å; I188-F525 HydrophobicContact CD1-CD1 4.03Å; I188-F525 HydrophobicContact CD1-CG 4.41Å; I188-F525 HydrophobicContact CG1-CB 4.4Å; N433-F525 HydrophobicContact CB-CZ 4.28Å; F525-Q527 PolarHBondContact O-N 3.41Å; F525-N528 WeakPolarHBondContact O-CB 3.38Å; F525-N528 PolarHBondContact O-N 2.97Å; F525-M529 HydrophobicContact CE1-SD 4.27Å; F525-M529 HydrophobicContact CE2-CG 4.17Å; F525-M529 HydrophobicContact CZ-CG 4.18Å; F525-M529 HydrophobicContact CZ-SD 3.96Å; F525-M529 PolarHBondContact O-N 2.83Å; F525-M529 VanDerWaalsContact O-N 3.11Å
526	F	97.5	Very high	95.7	Very high	10 Å²	10	41.1 Å²	41.1	4%	0.044	22%	0.22	C	C	.	.	H	α-helix	trans	-58.5	-49.3	177.6	-177.8	-85.9	0	0	0	111.1	P195 L196 L199 S400 L401 N524 N528 M529 I530	P195-F526 HydrophobicContact CB-CB 4.14Å; P195-F526 HydrophobicContact CB-CD1 3.42Å; P195-F526 VanDerWaalsContact CB-CD1 3.42Å; P195-F526 HydrophobicContact CB-CD2 4.09Å; P195-F526 HydrophobicContact CB-CE1 3.76Å; P195-F526 HydrophobicContact CB-CE2 4.41Å; P195-F526 HydrophobicContact CB-CG 3.61Å; P195-F526 HydrophobicContact CB-CZ 4.27Å; P195-F526 HydrophobicContact CG-CG 4.46Å; L196-F526 HydrophobicContact CB-CE2 3.94Å; L196-F526 HydrophobicContact CB-CZ 4.03Å; L196-F526 HydrophobicContact CD1-CE2 4.41Å; L196-F526 HydrophobicContact CD1-CZ 4.16Å; L199-F526 HydrophobicContact CD2-CE1 4.45Å; L199-F526 HydrophobicContact CD2-CZ 4.18Å; S400-F526 WeakPolarHBondContact OG-CD2 3.39Å; L401-F526 HydrophobicContact CD2-CD2 3.56Å; L401-F526 HydrophobicContact CD2-CE2 3.84Å; L401-F526 HydrophobicContact CG-CD2 4.39Å; N524-F526 PolarHBondContact O-N 3.33Å; F526-N528 VanDerWaalsContact C-N 3.3Å; F526-N528 PolarHBondContact O-N 2.88Å; F526-M529 PolarHBondContact O-N 2.77Å; F526-I530 HydrophobicContact CD1-CG1 3.93Å; F526-I530 HydrophobicContact CE1-CD1 4.16Å; F526-I530 HydrophobicContact CE1-CG1 3.56Å; F526-I530 HydrophobicContact CZ-CD1 4.15Å; F526-I530 HydrophobicContact CZ-CG1 4.04Å; F526-I530 WeakPolarHBondContact O-CG1 3.15Å; F526-I530 PolarHBondContact O-N 3.04Å
527	Q	97	Very high	95.6	Very high	78 Å²	78	35.9 Å²	35.9	36%	0.364	19%	0.193	S	C	.	.	H	α-helix	trans	-64.7	-35.8	179.6	-170.6	60.8	57.5	0	0	112	N524 F525 M529 I530 N531	N524-Q527 HydrophobicContact CB-CB 4.01Å; N524-Q527 WeakPolarHBondContact ND2-CB 3.39Å; N524-Q527 PolarHBondContact O-N 3.3Å; N524-Q527 VanDerWaalsContact OD1-CB 3.29Å; N524-Q527 WeakPolarHBondContact OD1-CB 3.45Å; N524-Q527 PolarHBondContact OD1-N 2.83Å; F525-Q527 PolarHBondContact O-N 3.41Å; Q527-M529 VanDerWaalsContact C-N 3.34Å; Q527-M529 PolarHBondContact O-N 2.79Å; Q527-I530 PolarHBondContact O-N 3.05Å; Q527-N531 PolarHBondContact NE2-OD1 3.18Å; Q527-N531 WeakPolarHBondContact O-CB 3.36Å; Q527-N531 PolarHBondContact O-N 2.75Å; Q527-N531 PolarHBondContact O-OD1 3.15Å
528	N	97.8	Very high	95.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-61.1	-40.4	175.2	-69.6	-22.7	0	0	0	112.6	Y178 S181 Y518 V520 T521 N524 F525 F526 F532	Y178-N528 HydrophobicContact CD2-CB 3.73Å; Y178-N528 HydrophobicContact CE2-CB 3.72Å; S181-N528 WeakPolarHBondContact CB-ND2 3.41Å; S181-N528 PolarHBondContact OG-ND2 2.95Å; Y518-N528 PolarHBondContact OH-O 3.24Å; V520-N528 WeakPolarHBondContact CA-OD1 3.28Å; T521-N528 PolarHBondContact N-OD1 3.43Å; T521-N528 PolarHBondContact O-ND2 3.43Å; N524-N528 PolarHBondContact O-N 2.67Å; N524-N528 PolarHBondContact O-ND2 3.47Å; F525-N528 WeakPolarHBondContact O-CB 3.38Å; F525-N528 PolarHBondContact O-N 2.97Å; F526-N528 VanDerWaalsContact C-N 3.3Å; F526-N528 PolarHBondContact O-N 2.88Å; N528-F532 WeakPolarHBondContact O-CB 3.43Å; N528-F532 PolarHBondContact O-N 2.94Å
529	M	96	Very high	95.4	Very high	5 Å²	5	41.5 Å²	41.5	3%	0.025	20%	0.203	C	C	.	.	H	α-helix	trans	-66.8	-43	174.4	-65.5	-155.4	-27.3	0	0	111.9	S400 F525 F526 Q527 N531 F532 Y533	S400-M529 WeakPolarHBondContact OG-CE 3.43Å; F525-M529 HydrophobicContact CE1-SD 4.27Å; F525-M529 HydrophobicContact CE2-CG 4.17Å; F525-M529 HydrophobicContact CZ-CG 4.18Å; F525-M529 HydrophobicContact CZ-SD 3.96Å; F525-M529 PolarHBondContact O-N 2.83Å; F525-M529 VanDerWaalsContact O-N 3.11Å; F526-M529 PolarHBondContact O-N 2.77Å; Q527-M529 VanDerWaalsContact C-N 3.34Å; Q527-M529 PolarHBondContact O-N 2.79Å; M529-N531 VanDerWaalsContact C-N 3.34Å; M529-N531 PolarHBondContact O-N 2.76Å; M529-F532 WeakPolarHBondContact O-CB 3.03Å; M529-F532 PolarHBondContact O-N 2.91Å; M529-F532 VanDerWaalsContact O-N 3.14Å; M529-Y533 HydrophobicContact CB-CE2 4.49Å; M529-Y533 HydrophobicContact CE-CE2 4.49Å; M529-Y533 WeakPolarHBondContact O-CD2 3.32Å; M529-Y533 PolarHBondContact O-N 2.72Å
530	I	95.2	Very high	95.3	Very high	13 Å²	13	36 Å²	36	7%	0.067	18%	0.177	C	C	.	.	H	α-helix	trans	-63.6	-41.3	177.8	-65	-55.7	0	0	0	111.4	L199 Y228 F526 Q527 F532 Y533 N534	L199-I530 HydrophobicContact CD2-CD1 4.03Å; Y228-I530 HydrophobicContact CD1-CD1 4.25Å; Y228-I530 HydrophobicContact CD1-CG2 3.82Å; Y228-I530 HydrophobicContact CE1-CG2 3.46Å; Y228-I530 VanDerWaalsContact CE1-CG2 3.46Å; F526-I530 HydrophobicContact CD1-CG1 3.93Å; F526-I530 HydrophobicContact CE1-CD1 4.16Å; F526-I530 HydrophobicContact CE1-CG1 3.56Å; F526-I530 HydrophobicContact CZ-CD1 4.15Å; F526-I530 HydrophobicContact CZ-CG1 4.04Å; F526-I530 WeakPolarHBondContact O-CG1 3.15Å; F526-I530 PolarHBondContact O-N 3.04Å; Q527-I530 PolarHBondContact O-N 3.05Å; I530-F532 VanDerWaalsContact C-N 3.26Å; I530-F532 PolarHBondContact O-N 3.35Å; I530-Y533 HydrophobicContact CD1-CD2 4.28Å; I530-Y533 PolarHBondContact O-N 3.29Å; I530-N534 PolarHBondContact O-N 2.85Å
531	N	96.3	Very high	95.2	Very high	42 Å²	42	35 Å²	35	23%	0.225	17%	0.171	C	C	.	.	H	α-helix	trans	-60.4	-40	173.6	-71.5	-5.8	0	0	0	111	Y518 E519 Q527 M529 N534 F535	Y518-N531 HydrophobicContact CD2-CB 4.36Å; Y518-N531 HydrophobicContact CE2-CB 3.93Å; E519-N531 PolarHBondContact O-ND2 3.44Å; Q527-N531 PolarHBondContact NE2-OD1 3.18Å; Q527-N531 WeakPolarHBondContact O-CB 3.36Å; Q527-N531 PolarHBondContact O-N 2.75Å; Q527-N531 PolarHBondContact O-OD1 3.15Å; M529-N531 VanDerWaalsContact C-N 3.34Å; M529-N531 PolarHBondContact O-N 2.76Å; N531-N534 PolarHBondContact O-N 3.34Å; N531-F535 WeakPolarHBondContact O-CB 3.47Å; N531-F535 PolarHBondContact O-N 3.34Å
532	F	96.8	Very high	95.2	Very high	16 Å²	16	35.8 Å²	35.8	7%	0.07	17%	0.173	C	C	.	.	H	α-helix	trans	-65.1	-44.2	179.3	174.8	-113.3	0	0	0	112.4	L8 T437 Y518 N528 M529 I530 N534 F535 S536	L8-F532 HydrophobicContact CD1-CE1 3.72Å; L8-F532 HydrophobicContact CD1-CZ 4.34Å; L8-F532 HydrophobicContact CD2-CE1 3.53Å; L8-F532 HydrophobicContact CD2-CZ 3.58Å; L8-F532 HydrophobicContact CG-CE1 4.25Å; L8-F532 HydrophobicContact CG-CZ 4.49Å; T437-F532 HydrophobicContact CG2-CB 3.92Å; T437-F532 HydrophobicContact CG2-CD1 4.08Å; T437-F532 HydrophobicContact CG2-CD2 3.34Å; T437-F532 HydrophobicContact CG2-CE1 4.43Å; T437-F532 HydrophobicContact CG2-CE2 3.79Å; T437-F532 HydrophobicContact CG2-CG 3.51Å; T437-F532 HydrophobicContact CG2-CZ 4.29Å; T437-F532 WeakPolarHBondContact O-CE2 3.4Å; Y518-F532 HydrophobicContact CE1-CD2 4.48Å; Y518-F532 HydrophobicContact CE2-CB 3.7Å; Y518-F532 HydrophobicContact CE2-CD2 4.48Å; N528-F532 WeakPolarHBondContact O-CB 3.43Å; N528-F532 PolarHBondContact O-N 2.94Å; M529-F532 WeakPolarHBondContact O-CB 3.03Å; M529-F532 PolarHBondContact O-N 2.91Å; M529-F532 VanDerWaalsContact O-N 3.14Å; I530-F532 VanDerWaalsContact C-N 3.26Å; I530-F532 PolarHBondContact O-N 3.35Å; F532-N534 VanDerWaalsContact C-N 3.28Å; F532-N534 PolarHBondContact O-N 3.12Å; F532-F535 HydrophobicContact CD2-CD1 4.14Å; F532-F535 HydrophobicContact CE2-CD1 4.36Å; F532-F535 PolarHBondContact O-N 3.12Å; F532-S536 WeakPolarHBondContact O-CB 3.4Å; F532-S536 PolarHBondContact O-N 2.91Å
533	Y	95.1	Very high	95.3	Very high	23 Å²	23	31.1 Å²	31.1	9%	0.09	15%	0.151	C	C	.	.	H	α-helix	trans	-59.5	-41	177.1	-63	-38.3	0	0	0	112.1	P227 R229 K396 M529 I530 S536 A537	P227-Y533 CarbonylContact O-C 3.49Å; P227-Y533 VanDerWaalsContact O-C 3.27Å; R229-Y533 WeakPolarHBondContact CG-O 3.01Å; K396-Y533 HydrophobicContact CB-CE2 4.37Å; M529-Y533 HydrophobicContact CB-CE2 4.49Å; M529-Y533 HydrophobicContact CE-CE2 4.49Å; M529-Y533 WeakPolarHBondContact O-CD2 3.32Å; M529-Y533 PolarHBondContact O-N 2.72Å; I530-Y533 HydrophobicContact CD1-CD2 4.28Å; I530-Y533 PolarHBondContact O-N 3.29Å; Y533-S536 PolarHBondContact O-N 3.35Å; Y533-A537 WeakPolarHBondContact O-CB 3.49Å; Y533-A537 PolarHBondContact O-N 2.94Å
534	N	95.2	Very high	95.5	Very high	46 Å²	46	27.1 Å²	27.1	25%	0.246	13%	0.13	C	C	.	.	H	α-helix	trans	-69.5	-40.9	177.2	177.2	45	0	0	0	111.9	P227 I530 N531 F532 A537 R538	P227-N534 HydrophobicContact CB-CB 4.22Å; P227-N534 VanDerWaalsContact O-CA 3.22Å; P227-N534 WeakPolarHBondContact O-CA 3.27Å; P227-N534 WeakPolarHBondContact O-CB 3.22Å; P227-N534 PolarHBondContact O-N 2.63Å; I530-N534 PolarHBondContact O-N 2.85Å; N531-N534 PolarHBondContact O-N 3.34Å; F532-N534 VanDerWaalsContact C-N 3.28Å; F532-N534 PolarHBondContact O-N 3.12Å; N534-A537 PolarHBondContact O-N 2.93Å; N534-R538 PolarHBondContact ND2-NH2 3.2Å; N534-R538 WeakPolarHBondContact O-CG 3.34Å; N534-R538 PolarHBondContact O-N 3.11Å; N534-R538 PolarHBondContact OD1-NE 3.16Å
535	F	96.3	Very high	95.6	Very high	18 Å²	18	31.3 Å²	31.3	8%	0.079	14%	0.143	C	C	.	.	H	α-helix	trans	-58.9	-50.2	173	166.2	-102.3	0	0	0	111.3	M12 V514 Y515 D516 Y518 N531 F532 A537 R538 V539	M12-F535 HydrophobicContact CE-CE1 4.24Å; M12-F535 HydrophobicContact CE-CZ 4.08Å; M12-F535 HydrophobicContact SD-CE1 4.44Å; M12-F535 HydrophobicContact SD-CZ 3.75Å; V514-F535 WeakPolarHBondContact O-CZ 3.31Å; Y515-F535 HydrophobicContact CD1-CE1 4.3Å; Y515-F535 HydrophobicContact CD1-CZ 4.34Å; D516-F535 WeakPolarHBondContact O-CE2 3.2Å; Y518-F535 HydrophobicContact CD2-CB 4.06Å; Y518-F535 HydrophobicContact CD2-CG 4.29Å; Y518-F535 HydrophobicContact CG-CB 4.48Å; Y518-F535 HydrophobicContact CG-CD1 4.29Å; Y518-F535 HydrophobicContact CG-CG 4.21Å; N531-F535 WeakPolarHBondContact O-CB 3.47Å; N531-F535 PolarHBondContact O-N 3.34Å; F532-F535 HydrophobicContact CD2-CD1 4.14Å; F532-F535 HydrophobicContact CE2-CD1 4.36Å; F532-F535 PolarHBondContact O-N 3.12Å; F535-A537 VanDerWaalsContact C-N 3.33Å; F535-A537 PolarHBondContact O-N 2.84Å; F535-R538 PolarHBondContact O-N 3.28Å; F535-V539 HydrophobicContact CD1-CG2 4.45Å; F535-V539 HydrophobicContact CD2-CG2 4.1Å; F535-V539 HydrophobicContact CE1-CG2 4.03Å; F535-V539 HydrophobicContact CE2-CG2 3.65Å; F535-V539 HydrophobicContact CG-CG2 4.49Å; F535-V539 HydrophobicContact CZ-CG2 3.61Å; F535-V539 WeakPolarHBondContact O-CB 3.49Å; F535-V539 WeakPolarHBondContact O-CG2 3.4Å; F535-V539 PolarHBondContact O-N 3.42Å
536	S	94.5	Very high	95.5	Very high	10 Å²	10	33.2 Å²	33.2	7%	0.07	15%	0.151	C	C	.	.	H	α-helix	trans	-57.6	-43	176.5	165.3	0	0	0	0	112.5	L8 F532 Y533 R538 V539 M540	L8-S536 VanDerWaalsContact CD2-CB 3.4Å; L8-S536 WeakPolarHBondContact CD2-OG 3.29Å; F532-S536 WeakPolarHBondContact O-CB 3.4Å; F532-S536 PolarHBondContact O-N 2.91Å; Y533-S536 PolarHBondContact O-N 3.35Å; S536-R538 VanDerWaalsContact C-N 3.31Å; S536-R538 PolarHBondContact O-N 3.09Å; S536-V539 PolarHBondContact O-N 2.61Å; S536-M540 WeakPolarHBondContact O-CB 3.37Å; S536-M540 PolarHBondContact O-N 3.41Å
537	A	94.2	Very high	95.4	Very high	7 Å²	7	37.1 Å²	37.1	6%	0.058	18%	0.178	C	C	.	.	H	α-helix	trans	-57.7	-45	177.7	0	0	0	0	0	111.7	G226 R229 Y533 N534 F535 M540 A541	G226-A537 VanDerWaalsContact O-CB 3.27Å; G226-A537 WeakPolarHBondContact O-CB 3.45Å; R229-A537 HydrophobicContact CG-CB 4.22Å; Y533-A537 WeakPolarHBondContact O-CB 3.49Å; Y533-A537 PolarHBondContact O-N 2.94Å; N534-A537 PolarHBondContact O-N 2.93Å; F535-A537 VanDerWaalsContact C-N 3.33Å; F535-A537 PolarHBondContact O-N 2.84Å; A537-M540 PolarHBondContact O-N 3.21Å; A537-A541 PolarHBondContact O-N 2.84Å
538	R	94.4	Very high	95.2	Very high	143 Å²	143	34.7 Å²	34.7	54%	0.54	17%	0.169	S	C	.	.	H	α-helix	trans	-67.8	-45.4	179.5	-67.6	170.1	-175.4	-170	-3.9	112	N534 F535 S536 M540 A541 D542	N534-R538 PolarHBondContact ND2-NH2 3.2Å; N534-R538 WeakPolarHBondContact O-CG 3.34Å; N534-R538 PolarHBondContact O-N 3.11Å; N534-R538 PolarHBondContact OD1-NE 3.16Å; F535-R538 PolarHBondContact O-N 3.28Å; S536-R538 VanDerWaalsContact C-N 3.31Å; S536-R538 PolarHBondContact O-N 3.09Å; R538-M540 PolarHBondContact O-N 2.83Å; R538-A541 PolarHBondContact O-N 3.25Å; R538-D542 VanDerWaalsContact O-CB 3.26Å; R538-D542 WeakPolarHBondContact O-CB 3.36Å; R538-D542 PolarHBondContact O-N 3.12Å
539	V	93.2	Very high	94.6	Very high	20 Å²	20	36.8 Å²	36.8	12%	0.121	18%	0.18	C	C	.	.	H	α-helix	trans	-56.3	-37.4	175.4	157.8	0	0	0	0	110.7	N11 M12 F535 S536 Q543	N11-V539 HydrophobicContact CB-CG1 3.45Å; N11-V539 VanDerWaalsContact CB-CG1 3.45Å; N11-V539 WeakPolarHBondContact CB-O 3.37Å; N11-V539 WeakPolarHBondContact O-CG1 3.24Å; M12-V539 HydrophobicContact CE-CG1 4.49Å; M12-V539 HydrophobicContact CG-CG1 3.64Å; M12-V539 HydrophobicContact CG-CG2 4.13Å; M12-V539 HydrophobicContact SD-CG1 4.15Å; M12-V539 HydrophobicContact SD-CG2 3.86Å; F535-V539 HydrophobicContact CD1-CG2 4.45Å; F535-V539 HydrophobicContact CD2-CG2 4.1Å; F535-V539 HydrophobicContact CE1-CG2 4.03Å; F535-V539 HydrophobicContact CE2-CG2 3.65Å; F535-V539 HydrophobicContact CG-CG2 4.49Å; F535-V539 HydrophobicContact CZ-CG2 3.61Å; F535-V539 WeakPolarHBondContact O-CB 3.49Å; F535-V539 WeakPolarHBondContact O-CG2 3.4Å; F535-V539 PolarHBondContact O-N 3.42Å; S536-V539 PolarHBondContact O-N 2.61Å; V539-Q543 PolarHBondContact O-NE2 3.3Å
540	M	93.7	Very high	93.9	Very high	6 Å²	6	42.1 Å²	42.1	3%	0.03	20%	0.199	C	C	.	.	H	α-helix	trans	-72.8	-47.1	176	178.4	-99.2	-68.8	0	0	114.7	N11 V238 L351 S536 A537 R538 D542 Q543	N11-M540 WeakPolarHBondContact ND2-CA 3.47Å; N11-M540 WeakPolarHBondContact ND2-CB 3.21Å; N11-M540 VanDerWaalsContact ND2-CG 3.34Å; N11-M540 WeakPolarHBondContact ND2-CG 3.2Å; V238-M540 HydrophobicContact CB-CG 4Å; V238-M540 HydrophobicContact CB-SD 3.91Å; V238-M540 HydrophobicContact CG2-CG 4.46Å; V238-M540 HydrophobicContact CG2-SD 3.74Å; V238-M540 PolarHBondContact N-SD 3.29Å; L351-M540 HydrophobicContact CD2-SD 3.86Å; S536-M540 WeakPolarHBondContact O-CB 3.37Å; S536-M540 PolarHBondContact O-N 3.41Å; A537-M540 PolarHBondContact O-N 3.21Å; R538-M540 PolarHBondContact O-N 2.83Å; M540-D542 PolarHBondContact O-N 3.14Å; M540-Q543 PolarHBondContact O-N 3.28Å
541	A	95.2	Very high	93.5	Very high	1 Å²	1	45 Å²	45	1%	0.008	22%	0.215	C	C	.	.	H	α-helix	trans	-56.8	-41.9	174.2	0	0	0	0	0	111.7	L351 L354 A537 R538 Q543 L544	L351-A541 HydrophobicContact CB-CB 4.36Å; L351-A541 HydrophobicContact CD2-CB 4.16Å; L354-A541 HydrophobicContact CD1-CB 4.24Å; L354-A541 VanDerWaalsContact CD1-O 3.24Å; L354-A541 WeakPolarHBondContact CD1-O 3.47Å; A537-A541 PolarHBondContact O-N 2.84Å; R538-A541 PolarHBondContact O-N 3.25Å; A541-Q543 PolarHBondContact O-N 2.95Å; A541-Q543 VanDerWaalsContact O-N 3.1Å; A541-L544 PolarHBondContact O-N 2.9Å; A541-L544 VanDerWaalsContact O-N 3.14Å
542	D	94	Very high	93	Very high	78 Å²	78	44.2 Å²	44.2	42%	0.417	21%	0.21	S	C	.	.	H	α-helix	trans	-60.9	-20.6	-178.8	170.4	71.9	0	0	0	114.3	R538 M540 K546	R538-D542 VanDerWaalsContact O-CB 3.26Å; R538-D542 WeakPolarHBondContact O-CB 3.36Å; R538-D542 PolarHBondContact O-N 3.12Å; M540-D542 PolarHBondContact O-N 3.14Å; D542-K546 WeakPolarHBondContact O-CD 3.49Å; D542-K546 WeakPolarHBondContact O-CE 3.37Å; D542-K546 WeakPolarHBondContact O-CG 3.47Å; D542-K546 WeakPolarHBondContact OD1-CE 3.41Å; D542-K546 IonicContact OD1-NZ 2.84Å; D542-K546 PolarHBondContact OD1-NZ 3.17Å; D542-K546 WeakPolarHBondContact OD2-CE 3.39Å; D542-K546 IonicContact OD2-NZ 2.75Å; D542-K546 PolarHBondContact OD2-NZ 2.85Å
543	Q	94.5	Very high	92.8	Very high	3 Å²	3	44.1 Å²	44.1	1%	0.014	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-19	177.2	-62.8	-43.8	-71.9	0	0	114.7	N11 V238 N248 V539 M540 A541 R545 K546	N11-Q543 HydrophobicContact CB-CG 3.4Å; N11-Q543 VanDerWaalsContact CB-CG 3.4Å; N11-Q543 WeakPolarHBondContact OD1-CG 3.38Å; V238-Q543 HydrophobicContact CG1-CB 4.2Å; N248-Q543 PolarHBondContact ND2-O 3.14Å; V539-Q543 PolarHBondContact O-NE2 3.3Å; M540-Q543 PolarHBondContact O-N 3.28Å; A541-Q543 PolarHBondContact O-N 2.95Å; A541-Q543 VanDerWaalsContact O-N 3.1Å; Q543-R545 PolarHBondContact O-N 3.11Å; Q543-K546 PolarHBondContact O-N 2.81Å
544	L	97	Very high	92.5	Very high	6 Å²	6	44 Å²	44	3%	0.031	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-33.8	-167.8	-177.4	62.3	0	0	0	112.9	V238 I250 L354 L356 A541	V238-L544 HydrophobicContact CG1-CB 3.83Å; V238-L544 HydrophobicContact CG1-CD1 3.92Å; V238-L544 HydrophobicContact CG1-CG 4.49Å; V238-L544 HydrophobicContact CG2-CB 4.23Å; V238-L544 HydrophobicContact CG2-CD1 4.22Å; I250-L544 HydrophobicContact CD1-CD2 4.08Å; I250-L544 HydrophobicContact CG1-CD1 3.78Å; I250-L544 HydrophobicContact CG1-CD2 3.92Å; L354-L544 HydrophobicContact CD1-CB 3.82Å; L354-L544 HydrophobicContact CD1-CD2 3.65Å; L354-L544 HydrophobicContact CD1-CG 4.36Å; L356-L544 HydrophobicContact CD2-CD2 3.99Å; A541-L544 PolarHBondContact O-N 2.9Å; A541-L544 VanDerWaalsContact O-N 3.14Å
545	R	96	Very high	92.5	Very high	129 Å²	129	42.3 Å²	42.3	49%	0.487	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102	5.9	179.7	-54.3	-56.9	-177.7	-135.8	3	113.6	L354 E360 Q543	L354-R545 HydrophobicContact CD2-CG 4.02Å; E360-R545 IonicContact OE1-CZ 3.49Å; E360-R545 IonicContact OE1-NH1 2.57Å; E360-R545 PolarHBondContact OE1-NH1 3.19Å; E360-R545 IonicContact OE1-NH2 2.77Å; E360-R545 PolarHBondContact OE1-NH2 2.89Å; E360-R545 VanDerWaalsContact OE1-NH2 3.09Å; E360-R545 IonicContact OE2-CZ 2.8Å; E360-R545 IonicContact OE2-NH1 3.33Å; E360-R545 IonicContact OE2-NH2 2.61Å; E360-R545 PolarHBondContact OE2-NH2 3.33Å; Q543-R545 PolarHBondContact O-N 3.11Å
546	K	95.2	Very high	92.6	Very high	44 Å²	44	42.4 Å²	42.4	19%	0.191	21%	0.205	C	C	.	.	S	Bend	trans	-100.7	145.4	177.9	-64.6	-178.6	-176.3	-178.4	0	109.9	N14 N248 D542 Q543	N14-K546 WeakPolarHBondContact ND2-CE 3.26Å; N248-K546 PolarHBondContact ND2-O 3.35Å; D542-K546 WeakPolarHBondContact O-CD 3.49Å; D542-K546 WeakPolarHBondContact O-CE 3.37Å; D542-K546 WeakPolarHBondContact O-CG 3.47Å; D542-K546 WeakPolarHBondContact OD1-CE 3.41Å; D542-K546 IonicContact OD1-NZ 2.84Å; D542-K546 PolarHBondContact OD1-NZ 3.17Å; D542-K546 WeakPolarHBondContact OD2-CE 3.39Å; D542-K546 IonicContact OD2-NZ 2.75Å; D542-K546 PolarHBondContact OD2-NZ 2.85Å; Q543-K546 PolarHBondContact O-N 2.81Å
547	P	95	Very high	92.7	Very high	92 Å²	92	42 Å²	42	60%	0.597	20%	0.201	S	C	*	.	P	Polyproline II helix	trans	-64.9	141.5	169	28.6	-33.2	0	0	0	109.6	N549	P547-N549 PolarHBondContact O-N 2.89Å
548	P	92.7	Very high	92.8	Very high	27 Å²	27	41.7 Å²	41.7	18%	0.175	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-55.2	135.5	171.2	-27.9	37.8	0	0	0	111.9	V240 S245 N246	V240-P548 HydrophobicContact CB-CG 4.23Å; V240-P548 HydrophobicContact CG1-CB 4.49Å; V240-P548 HydrophobicContact CG1-CG 3.98Å; V240-P548 HydrophobicContact CG2-CB 3.63Å; V240-P548 HydrophobicContact CG2-CG 3.68Å; S245-P548 WeakPolarHBondContact O-CG 3.1Å; N246-P548 WeakPolarHBondContact O-CD 3.37Å
549	N	85.6	Confident	92.9	Very high	43 Å²	43	35.5 Å²	35.5	23%	0.23	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-96.2	128.1	176.7	-178.1	-5.5	0	0	0	110.5	P547 D551 Q552 K568	P547-N549 PolarHBondContact O-N 2.89Å; N549-D551 VanDerWaalsContact C-N 3.28Å; N549-D551 PolarHBondContact O-N 2.91Å; N549-D551 PolarHBondContact OD1-N 3.17Å; N549-Q552 HydrophobicContact CB-CG 3.88Å; N549-Q552 PolarHBondContact O-N 3.07Å; N549-K568 WeakPolarHBondContact O-CE 3.47Å; N549-K568 PolarHBondContact O-NZ 3.3Å
550	R	82.8	Confident	93.1	Very high	117 Å²	117	35.2 Å²	35.2	44%	0.442	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-30.5	177.4	-66.3	-172.1	78.9	167.4	8.8	113.4	Y496 Q552 K568	Y496-R550 VanDerWaalsContact CB-NH2 3.32Å; Y496-R550 HydrophobicContact CE1-CB 4.37Å; R550-Q552 VanDerWaalsContact C-N 3.29Å; R550-Q552 PolarHBondContact O-N 3.33Å; R550-K568 PolarHBondContact NH2-O 3.05Å; R550-K568 VanDerWaalsContact NH2-O 3.16Å
551	D	86.5	Confident	93.3	Very high	75 Å²	75	38.2 Å²	38.2	40%	0.401	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	4.8	-178.1	-58	-38.6	0	0	0	113.7	Y496 N549	Y496-D551 PolarHBondContact OH-OD1 3.22Å; N549-D551 VanDerWaalsContact C-N 3.28Å; N549-D551 PolarHBondContact O-N 2.91Å; N549-D551 PolarHBondContact OD1-N 3.17Å
552	Q	84.8	Confident	93.4	Very high	25 Å²	25	38.5 Å²	38.5	12%	0.117	19%	0.194	C	C	.	.			trans	-81.6	122.7	172.2	-80.2	172.2	0.4	0	0	110.8	M12 N549 R550 K568	M12-Q552 WeakPolarHBondContact O-CG 3.46Å; M12-Q552 PolarHBondContact O-NE2 3.16Å; N549-Q552 HydrophobicContact CB-CG 3.88Å; N549-Q552 PolarHBondContact O-N 3.07Å; R550-Q552 VanDerWaalsContact C-N 3.29Å; R550-Q552 PolarHBondContact O-N 3.33Å; Q552-K568 PolarHBondContact O-NZ 3.4Å
553	W	92.6	Very high	93.6	Very high	14 Å²	14	36 Å²	36	5%	0.053	18%	0.179	C	C	.	.			trans	-96.3	144.9	-179.2	-68.1	35.4	0	0	0	111	F440 M498 F501 P502 M555 Y563 V572 P574	F440-W553 HydrophobicContact CE1-CB 4.01Å; F440-W553 HydrophobicContact CZ-CB 4.12Å; F440-W553 WeakPolarHBondContact CZ-O 3.46Å; M498-W553 HydrophobicContact CB-CH2 4.27Å; M498-W553 HydrophobicContact CB-CZ2 3.54Å; M498-W553 HydrophobicContact CG-CZ2 4.46Å; M498-W553 PolarHBondContact SD-NE1 2.9Å; F501-W553 VanDerWaalsContact N-CH2 3.35Å; P502-W553 HydrophobicContact CB-CD2 4.48Å; P502-W553 HydrophobicContact CB-CG 4.38Å; P502-W553 HydrophobicContact CG-CD2 4.14Å; P502-W553 HydrophobicContact CG-CG 4.1Å; W553-M555 WeakPolarHBondContact CB-O 3.31Å; W553-Y563 WeakPolarHBondContact CA-OH 3.04Å; W553-V572 HydrophobicContact CD2-CG1 3.6Å; W553-V572 HydrophobicContact CE3-CG1 3.26Å; W553-V572 HydrophobicContact CG-CG1 4.38Å; W553-V572 HydrophobicContact CH2-CG1 3.72Å; W553-V572 HydrophobicContact CZ2-CG1 4.09Å; W553-V572 HydrophobicContact CZ3-CG1 3.29Å; W553-P574 HydrophobicContact CZ3-CB 4.49Å; W553-P574 HydrophobicContact CZ3-CG 4.33Å
554	S	90.1	Very high	93.7	Very high	19 Å²	19	37 Å²	37	13%	0.133	18%	0.183	C	C	.	.	S	Bend	trans	-96.8	1.4	170.6	-57.8	0	0	0	0	112.7	R9 Y563	R9-S554 WeakPolarHBondContact CD-O 3.35Å; R9-S554 WeakPolarHBondContact CG-O 3.28Å; R9-S554 PolarHBondContact NE-O 3.32Å; R9-S554 PolarHBondContact NH1-O 3.1Å; R9-S554 PolarHBondContact O-OG 2.79Å; S554-Y563 PolarHBondContact N-OH 3.49Å
555	M	95	Very high	93.7	Very high	12 Å²	12	37.8 Å²	37.8	6%	0.059	19%	0.186	C	C	.	.	S	Bend	trans	-131.4	148.8	171.7	-67.4	-171.3	-175.8	0	0	109.9	W553 T559 N561 A562 Y563 P574	W553-M555 WeakPolarHBondContact CB-O 3.31Å; M555-T559 HydrophobicContact CB-CG2 4.36Å; M555-T559 HydrophobicContact CG-CG2 4.41Å; M555-T559 HydrophobicContact SD-CG2 3.84Å; M555-N561 HydrophobicContact CE-CB 4.04Å; M555-N561 HydrophobicContact SD-CB 3.79Å; M555-A562 WeakPolarHBondContact CE-O 3.14Å; M555-Y563 HydrophobicContact CB-CD1 4.21Å; M555-Y563 HydrophobicContact CB-CE1 3.84Å; M555-Y563 HydrophobicContact CE-CD1 3.79Å; M555-Y563 HydrophobicContact CE-CG 4.13Å; M555-Y563 HydrophobicContact CG-CD1 3.63Å; M555-Y563 HydrophobicContact CG-CE1 3.7Å; M555-Y563 HydrophobicContact SD-CD1 3.55Å; M555-Y563 VanDerWaalsContact SD-CD1 3.55Å; M555-Y563 HydrophobicContact SD-CE1 4.17Å; M555-Y563 HydrophobicContact SD-CG 4.46Å; M555-P574 HydrophobicContact CB-CG 3.96Å; M555-P574 HydrophobicContact SD-CG 4.37Å
556	T	96.6	Very high	93.8	Very high	20 Å²	20	33.2 Å²	33.2	12%	0.123	17%	0.174	C	C	.	.			trans	-84.8	151.7	179.3	63.5	0	0	0	0	109.3	D435 T559	D435-T556 WeakPolarHBondContact OD1-CB 3.47Å; D435-T556 PolarHBondContact OD1-OG1 2.94Å; D435-T556 PolarHBondContact OD2-OG1 2.69Å; T556-T559 WeakPolarHBondContact O-CB 3.43Å; T556-T559 PolarHBondContact O-N 2.86Å; T556-T559 PolarHBondContact O-OG1 2.95Å; T556-T559 VanDerWaalsContact O-OG1 3.1Å; T556-T559 PolarHBondContact OG1-OG1 3.22Å
557	P	96.8	Very high	93.8	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-38	179.3	-27.5	34.4	0	0	0	117	V447 F501 I505 T559 A575 G576	V447-P557 HydrophobicContact CG1-CB 3.75Å; F501-P557 HydrophobicContact CB-CB 4.13Å; F501-P557 HydrophobicContact CB-CG 3.88Å; I505-P557 HydrophobicContact CD1-CG 3.65Å; P557-T559 PolarHBondContact O-N 3.16Å; P557-A575 PolarHBondContact O-N 3.3Å; P557-G576 PolarHBondContact O-N 2.7Å
558	P	97.1	Very high	93.8	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.006	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-6.1	-180	31.1	-35.9	0	0	0	113.8	N152 L156 F446 V560	N152-P558 PolarHBondContact ND2-O 2.9Å; L156-P558 HydrophobicContact CD1-CB 4.09Å; L156-P558 HydrophobicContact CD1-CG 4.45Å; F446-P558 HydrophobicContact CB-CB 4.26Å; F446-P558 HydrophobicContact CD1-CB 3.98Å; F446-P558 HydrophobicContact CD2-CB 4.08Å; F446-P558 HydrophobicContact CE1-CB 4.36Å; F446-P558 HydrophobicContact CE2-CB 4.45Å; F446-P558 HydrophobicContact CG-CB 3.83Å; P558-V560 PolarHBondContact O-N 3.39Å
559	T	97.2	Very high	94	Very high	13 Å²	13	27.3 Å²	27.3	8%	0.08	14%	0.137	C	C	.	.			trans	-60.4	131.7	-179.7	-64.9	0	0	0	0	111.6	M555 T556 P557 N561 P574 G576 I577	M555-T559 HydrophobicContact CB-CG2 4.36Å; M555-T559 HydrophobicContact CG-CG2 4.41Å; M555-T559 HydrophobicContact SD-CG2 3.84Å; T556-T559 WeakPolarHBondContact O-CB 3.43Å; T556-T559 PolarHBondContact O-N 2.86Å; T556-T559 PolarHBondContact O-OG1 2.95Å; T556-T559 VanDerWaalsContact O-OG1 3.1Å; T556-T559 PolarHBondContact OG1-OG1 3.22Å; P557-T559 PolarHBondContact O-N 3.16Å; T559-N561 HydrophobicContact CG2-CB 3.69Å; T559-N561 PolarHBondContact O-N 2.92Å; T559-P574 WeakPolarHBondContact O-CB 3.23Å; T559-G576 CarbonylContact O-C 2.87Å; T559-G576 VanDerWaalsContact O-CA 3.31Å; T559-G576 WeakPolarHBondContact O-CA 3.41Å; T559-I577 PolarHBondContact O-N 3.12Å
560	V	97.4	Very high	94.6	Very high	14 Å²	14	25.3 Å²	25.3	9%	0.085	13%	0.126	C	C	.	.	S	Bend	trans	-94.8	73.4	173.1	-170.4	0	0	0	0	108.7	F145 I148 W149 N152 P558 I577 F582	F145-V560 HydrophobicContact CD1-CG1 4.28Å; I148-V560 HydrophobicContact CB-CG1 4.13Å; I148-V560 HydrophobicContact CB-CG2 4.26Å; I148-V560 HydrophobicContact CG2-CG1 3.93Å; I148-V560 HydrophobicContact CG2-CG2 3.69Å; W149-V560 HydrophobicContact CB-CG2 4.13Å; W149-V560 HydrophobicContact CE3-CG2 4.2Å; N152-V560 WeakPolarHBondContact ND2-CG2 3.49Å; P558-V560 PolarHBondContact O-N 3.39Å; V560-I577 HydrophobicContact CG1-CG1 4.49Å; V560-F582 HydrophobicContact CG1-CE2 4.22Å
561	N	96.9	Very high	95.3	Very high	69 Å²	69	19.7 Å²	19.7	37%	0.369	11%	0.105	S	C	.	.			trans	-161.5	-179.8	178.3	-153	-5	0	0	0	109.7	M555 T559 P574 I577	M555-N561 HydrophobicContact CE-CB 4.04Å; M555-N561 HydrophobicContact SD-CB 3.79Å; T559-N561 HydrophobicContact CG2-CB 3.69Å; T559-N561 PolarHBondContact O-N 2.92Å; N561-P574 VanDerWaalsContact O-CD 3.28Å; N561-P574 WeakPolarHBondContact O-CD 3.3Å; N561-I577 WeakPolarHBondContact O-CG2 3.37Å
562	A	97.5	Very high	95.8	Very high	7 Å²	7	16.1 Å²	16.1	6%	0.058	9%	0.086	C	C	.	.			trans	-141.2	168.8	167.3	0	0	0	0	0	109.2	M555 V572 F573 V599 E603	M555-A562 WeakPolarHBondContact CE-O 3.14Å; A562-V572 WeakPolarHBondContact CA-O 3.36Å; A562-V572 WeakPolarHBondContact CB-O 3.43Å; A562-F573 HydrophobicContact CB-CD1 3.72Å; A562-F573 HydrophobicContact CB-CE1 4.01Å; A562-V599 HydrophobicContact CB-CG1 3.7Å; A562-E603 HydrophobicContact CB-CG 3.82Å; A562-E603 WeakPolarHBondContact CB-OE1 3.34Å
563	Y	97.6	Very high	96.3	Very high	25 Å²	25	15 Å²	15	10%	0.098	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	155.2	173.1	69.7	-79.2	0	0	0	113.8	W553 S554 M555 M565 I571 V572 E603	W553-Y563 WeakPolarHBondContact CA-OH 3.04Å; S554-Y563 PolarHBondContact N-OH 3.49Å; M555-Y563 HydrophobicContact CB-CD1 4.21Å; M555-Y563 HydrophobicContact CB-CE1 3.84Å; M555-Y563 HydrophobicContact CE-CD1 3.79Å; M555-Y563 HydrophobicContact CE-CG 4.13Å; M555-Y563 HydrophobicContact CG-CD1 3.63Å; M555-Y563 HydrophobicContact CG-CE1 3.7Å; M555-Y563 HydrophobicContact SD-CD1 3.55Å; M555-Y563 VanDerWaalsContact SD-CD1 3.55Å; M555-Y563 HydrophobicContact SD-CE1 4.17Å; M555-Y563 HydrophobicContact SD-CG 4.46Å; Y563-M565 HydrophobicContact CD2-CB 4.33Å; Y563-M565 HydrophobicContact CE2-CB 4.14Å; Y563-M565 HydrophobicContact CE2-CE 4.14Å; Y563-I571 WeakPolarHBondContact O-CA 3.26Å; Y563-V572 HydrophobicContact CD1-CB 3.78Å; Y563-V572 HydrophobicContact CD1-CG1 4.33Å; Y563-V572 HydrophobicContact CD1-CG2 4.4Å; Y563-V572 HydrophobicContact CD2-CG2 4.49Å; Y563-V572 HydrophobicContact CE1-CB 3.29Å; Y563-V572 HydrophobicContact CE1-CG1 3.53Å; Y563-V572 HydrophobicContact CE1-CG2 3.71Å; Y563-V572 HydrophobicContact CE2-CB 4.23Å; Y563-V572 HydrophobicContact CE2-CG2 3.79Å; Y563-V572 HydrophobicContact CG-CB 4.43Å; Y563-V572 PolarHBondContact N-O 3.45Å; Y563-V572 VanDerWaalsContact N-O 3.16Å; Y563-V572 PolarHBondContact O-N 3.34Å; Y563-V572 VanDerWaalsContact OH-CG2 3.25Å; Y563-V572 WeakPolarHBondContact OH-CG2 3.16Å; Y563-E603 WeakPolarHBondContact CA-OE2 3.41Å
564	Y	98.1	Very high	96.5	Very high	25 Å²	25	14.3 Å²	14.3	10%	0.098	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	142	162	173.4	-111.1	0	0	0	110.8	K491 P566 N569 G570 I571 E603 H606 A607	K491-Y564 PolarHBondContact NZ-OH 3.26Å; Y564-P566 HydrophobicContact CD1-CG 4.05Å; Y564-P566 HydrophobicContact CE1-CB 3.89Å; Y564-P566 HydrophobicContact CE1-CG 3.68Å; Y564-N569 PolarHBondContact OH-OD1 2.82Å; Y564-N569 VanDerWaalsContact OH-OD1 3.08Å; Y564-G570 CarbonylContact C-O 3.59Å; Y564-G570 WeakPolarHBondContact CA-O 3.37Å; Y564-G570 WeakPolarHBondContact CD2-O 3.43Å; Y564-I571 HydrophobicContact CD2-CG2 3.78Å; Y564-E603 PolarHBondContact N-OE2 3.46Å; Y564-H606 HydrophobicContact CD1-CB 3.63Å; Y564-H606 HydrophobicContact CG-CB 3.79Å; Y564-A607 HydrophobicContact CD2-CB 4.37Å; Y564-A607 HydrophobicContact CE1-CB 4.19Å; Y564-A607 HydrophobicContact CE2-CB 3.67Å; Y564-A607 VanDerWaalsContact CZ-CA 3.4Å; Y564-A607 WeakPolarHBondContact OH-CA 3.47Å
565	M	96.6	Very high	96.8	Very high	22 Å²	22	13.6 Å²	13.6	11%	0.108	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	111.7	171.5	-177.5	164.5	30.7	0	0	110.6	Y563 T567 K568 N569 G570	Y563-M565 HydrophobicContact CD2-CB 4.33Å; Y563-M565 HydrophobicContact CE2-CB 4.14Å; Y563-M565 HydrophobicContact CE2-CE 4.14Å; M565-T567 PolarHBondContact O-N 2.83Å; M565-K568 HydrophobicContact CE-CB 4.27Å; M565-K568 HydrophobicContact CE-CD 3.3Å; M565-K568 HydrophobicContact CE-CG 3.69Å; M565-K568 HydrophobicContact CG-CB 4.49Å; M565-K568 HydrophobicContact CG-CG 4.22Å; M565-K568 PolarHBondContact O-N 3.41Å; M565-K568 HydrophobicContact SD-CD 4.12Å; M565-K568 HydrophobicContact SD-CG 4.01Å; M565-N569 PolarHBondContact O-N 3.13Å; M565-N569 VanDerWaalsContact O-N 3.14Å; M565-G570 PolarHBondContact N-O 3.09Å; M565-G570 PolarHBondContact O-N 3.37Å
566	P	97	Very high	96.9	Very high	34 Å²	34	13 Å²	13	22%	0.221	7%	0.071	C	C	.	.	G	3₁₀ helix	trans	-58.2	-44.2	-174.3	-23.4	29.8	0	0	0	114.2	Y564 K568 N569 Y615 G619	Y564-P566 HydrophobicContact CD1-CG 4.05Å; Y564-P566 HydrophobicContact CE1-CB 3.89Å; Y564-P566 HydrophobicContact CE1-CG 3.68Å; P566-K568 PolarHBondContact O-N 2.94Å; P566-N569 PolarHBondContact O-N 2.8Å; P566-Y615 HydrophobicContact CB-CD1 3.87Å; P566-Y615 HydrophobicContact CB-CD2 3.46Å; P566-Y615 VanDerWaalsContact CB-CD2 3.46Å; P566-Y615 HydrophobicContact CB-CE1 3.99Å; P566-Y615 HydrophobicContact CB-CE2 3.6Å; P566-Y615 HydrophobicContact CB-CG 3.58Å; P566-Y615 HydrophobicContact CG-CD2 4.34Å; P566-Y615 HydrophobicContact CG-CE2 4.17Å; P566-G619 VanDerWaalsContact O-CA 3.29Å; P566-G619 WeakPolarHBondContact O-CA 3.3Å
567	T	96.1	Very high	96.9	Very high	20 Å²	20	12.2 Å²	12.2	12%	0.123	7%	0.066	C	C	.	.	G	3₁₀ helix	trans	-68.8	-18	-175.9	51.5	0	0	0	0	114.3	V240 S245 M565 Y615 G619	V240-T567 HydrophobicContact CB-CG2 4.26Å; V240-T567 HydrophobicContact CG1-CG2 4.12Å; S245-T567 WeakPolarHBondContact CB-O 3.21Å; M565-T567 PolarHBondContact O-N 2.83Å; T567-Y615 HydrophobicContact CG2-CD1 4.49Å; T567-Y615 HydrophobicContact CG2-CE1 3.92Å; T567-G619 WeakPolarHBondContact CA-O 3.4Å
568	K	95.3	Very high	96.8	Very high	19 Å²	19	12.8 Å²	12.8	8%	0.083	7%	0.069	C	C	.	.	G	3₁₀ helix	trans	-104.4	-4.9	173.8	-56.4	-159.7	-167	174.7	0	113	N549 R550 Q552 M565 P566 G570	N549-K568 WeakPolarHBondContact O-CE 3.47Å; N549-K568 PolarHBondContact O-NZ 3.3Å; R550-K568 PolarHBondContact NH2-O 3.05Å; R550-K568 VanDerWaalsContact NH2-O 3.16Å; Q552-K568 PolarHBondContact O-NZ 3.4Å; M565-K568 HydrophobicContact CE-CB 4.27Å; M565-K568 HydrophobicContact CE-CD 3.3Å; M565-K568 HydrophobicContact CE-CG 3.69Å; M565-K568 HydrophobicContact CG-CB 4.49Å; M565-K568 HydrophobicContact CG-CG 4.22Å; M565-K568 PolarHBondContact O-N 3.41Å; M565-K568 HydrophobicContact SD-CD 4.12Å; M565-K568 HydrophobicContact SD-CG 4.01Å; P566-K568 PolarHBondContact O-N 2.94Å; K568-G570 PolarHBondContact O-N 3.37Å
569	N	97.3	Very high	96.6	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	39.8	53.5	-164.5	-166.8	33	0	0	0	110.5	K491 I495 Y496 Y564 M565 P566 K617	K491-N569 WeakPolarHBondContact CE-OD1 3.41Å; K491-N569 PolarHBondContact O-ND2 2.85Å; I495-N569 VanDerWaalsContact CA-O 3.29Å; I495-N569 WeakPolarHBondContact CA-O 3.5Å; Y496-N569 PolarHBondContact N-O 2.69Å; Y564-N569 PolarHBondContact OH-OD1 2.82Å; Y564-N569 VanDerWaalsContact OH-OD1 3.08Å; M565-N569 PolarHBondContact O-N 3.13Å; M565-N569 VanDerWaalsContact O-N 3.14Å; P566-N569 PolarHBondContact O-N 2.8Å; N569-K617 PolarHBondContact ND2-O 3.01Å; N569-K617 VanDerWaalsContact ND2-O 3.1Å
570	G	96.6	Very high	96.3	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	140.5	-168.7	0	0	0	0	0	112.9	Y496 Y564 M565 K568	Y496-G570 CarbonylContact O-C 3.55Å; Y496-G570 WeakPolarHBondContact O-CA 3.2Å; Y564-G570 CarbonylContact C-O 3.59Å; Y564-G570 WeakPolarHBondContact CA-O 3.37Å; Y564-G570 WeakPolarHBondContact CD2-O 3.43Å; M565-G570 PolarHBondContact N-O 3.09Å; M565-G570 PolarHBondContact O-N 3.37Å; K568-G570 PolarHBondContact O-N 3.37Å
571	I	97.5	Very high	96.1	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	139	176.7	57.2	-178.2	0	0	0	109.8	I463 I495 Y496 D497 M498 Y563 Y564 F573 E603	I463-I571 HydrophobicContact CD1-CD1 3.45Å; I463-I571 VanDerWaalsContact CD1-CD1 3.45Å; I463-I571 HydrophobicContact CG1-CD1 3.72Å; I495-I571 HydrophobicContact CG2-CB 4.4Å; I495-I571 HydrophobicContact CG2-CD1 3.81Å; I495-I571 HydrophobicContact CG2-CG1 3.77Å; I495-I571 HydrophobicContact CG2-CG2 3.94Å; Y496-I571 PolarHBondContact O-N 3.32Å; D497-I571 HydrophobicContact CB-CD1 4.17Å; D497-I571 HydrophobicContact CB-CG1 3.9Å; M498-I571 PolarHBondContact N-O 3.36Å; Y563-I571 WeakPolarHBondContact O-CA 3.26Å; Y564-I571 HydrophobicContact CD2-CG2 3.78Å; I571-F573 HydrophobicContact CB-CE2 4.07Å; I571-F573 HydrophobicContact CB-CZ 4.21Å; I571-F573 HydrophobicContact CD1-CE2 3.82Å; I571-F573 HydrophobicContact CD1-CZ 4.09Å; I571-F573 HydrophobicContact CG1-CE2 3.84Å; I571-F573 HydrophobicContact CG1-CZ 4.33Å; I571-E603 HydrophobicContact CB-CB 4.06Å; I571-E603 HydrophobicContact CG2-CB 3.72Å; I571-E603 WeakPolarHBondContact CG2-O 3.43Å
572	V	96.9	Very high	96	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	129.3	-171.2	-172.7	0	0	0	0	111.6	M498 W553 A562 Y563	M498-V572 HydrophobicContact CB-CB 4.39Å; M498-V572 HydrophobicContact CB-CG1 4.15Å; M498-V572 HydrophobicContact CB-CG2 4Å; M498-V572 HydrophobicContact CE-CG2 3.35Å; M498-V572 CarbonylContact O-C 3.59Å; M498-V572 WeakPolarHBondContact O-CA 3.5Å; M498-V572 HydrophobicContact SD-CG2 4.12Å; W553-V572 HydrophobicContact CD2-CG1 3.6Å; W553-V572 HydrophobicContact CE3-CG1 3.26Å; W553-V572 HydrophobicContact CG-CG1 4.38Å; W553-V572 HydrophobicContact CH2-CG1 3.72Å; W553-V572 HydrophobicContact CZ2-CG1 4.09Å; W553-V572 HydrophobicContact CZ3-CG1 3.29Å; A562-V572 WeakPolarHBondContact CA-O 3.36Å; A562-V572 WeakPolarHBondContact CB-O 3.43Å; Y563-V572 HydrophobicContact CD1-CB 3.78Å; Y563-V572 HydrophobicContact CD1-CG1 4.33Å; Y563-V572 HydrophobicContact CD1-CG2 4.4Å; Y563-V572 HydrophobicContact CD2-CG2 4.49Å; Y563-V572 HydrophobicContact CE1-CB 3.29Å; Y563-V572 HydrophobicContact CE1-CG1 3.53Å; Y563-V572 HydrophobicContact CE1-CG2 3.71Å; Y563-V572 HydrophobicContact CE2-CB 4.23Å; Y563-V572 HydrophobicContact CE2-CG2 3.79Å; Y563-V572 HydrophobicContact CG-CB 4.43Å; Y563-V572 PolarHBondContact N-O 3.45Å; Y563-V572 VanDerWaalsContact N-O 3.16Å; Y563-V572 PolarHBondContact O-N 3.34Å; Y563-V572 VanDerWaalsContact OH-CG2 3.25Å; Y563-V572 WeakPolarHBondContact OH-CG2 3.16Å
573	F	97.2	Very high	95.8	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	89.6	-180	-52.8	-81.2	0	0	0	110	I463 M498 I499 G500 A562 I571 V599 M600 E603	I463-F573 HydrophobicContact CD1-CE2 4.44Å; I463-F573 HydrophobicContact CD1-CZ 4.45Å; M498-F573 PolarHBondContact O-N 3.12Å; I499-F573 HydrophobicContact CG1-CD2 4.1Å; G500-F573 PolarHBondContact N-O 3.44Å; A562-F573 HydrophobicContact CB-CD1 3.72Å; A562-F573 HydrophobicContact CB-CE1 4.01Å; I571-F573 HydrophobicContact CB-CE2 4.07Å; I571-F573 HydrophobicContact CB-CZ 4.21Å; I571-F573 HydrophobicContact CD1-CE2 3.82Å; I571-F573 HydrophobicContact CD1-CZ 4.09Å; I571-F573 HydrophobicContact CG1-CE2 3.84Å; I571-F573 HydrophobicContact CG1-CZ 4.33Å; F573-V599 HydrophobicContact CD1-CG1 4.34Å; F573-V599 HydrophobicContact CE1-CG1 4.16Å; F573-M600 HydrophobicContact CD1-CG 4.32Å; F573-M600 HydrophobicContact CE1-CB 4.29Å; F573-M600 HydrophobicContact CE1-CG 3.76Å; F573-M600 HydrophobicContact CE2-CG 4.17Å; F573-M600 HydrophobicContact CZ-CB 4.1Å; F573-M600 HydrophobicContact CZ-CG 3.68Å; F573-E603 HydrophobicContact CE1-CB 4.19Å; F573-E603 HydrophobicContact CE1-CG 3.63Å; F573-E603 HydrophobicContact CZ-CB 3.98Å; F573-E603 HydrophobicContact CZ-CG 3.94Å
574	P	96.8	Very high	95.6	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-50.6	147.7	172.9	-26.2	33	0	0	0	114.2	G500 W553 M555 T559 N561 G576 I577	G500-P574 CarbonylContact O-C 3.58Å; W553-P574 HydrophobicContact CZ3-CB 4.49Å; W553-P574 HydrophobicContact CZ3-CG 4.33Å; M555-P574 HydrophobicContact CB-CG 3.96Å; M555-P574 HydrophobicContact SD-CG 4.37Å; T559-P574 WeakPolarHBondContact O-CB 3.23Å; N561-P574 VanDerWaalsContact O-CD 3.28Å; N561-P574 WeakPolarHBondContact O-CD 3.3Å; P574-G576 PolarHBondContact O-N 3.24Å; P574-I577 WeakPolarHBondContact O-CG2 3.39Å; P574-I577 PolarHBondContact O-N 2.71Å
575	A	96.3	Very high	95.2	Very high	5 Å²	5	17.2 Å²	17.2	4%	0.041	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-52.8	-33	176.8	0	0	0	0	0	112.2	F446 V447 F451 G500 P557 I577 L578	F446-A575 HydrophobicContact CD1-CB 4.43Å; F446-A575 HydrophobicContact CE1-CB 4.15Å; V447-A575 HydrophobicContact CG1-CB 3.86Å; F451-A575 HydrophobicContact CB-CB 4.39Å; F451-A575 HydrophobicContact CD2-CB 3.5Å; F451-A575 HydrophobicContact CE2-CB 3.95Å; F451-A575 HydrophobicContact CG-CB 4.03Å; G500-A575 WeakPolarHBondContact O-CB 3.35Å; G500-A575 PolarHBondContact O-N 3.34Å; P557-A575 PolarHBondContact O-N 3.3Å; A575-I577 VanDerWaalsContact C-N 3.28Å; A575-I577 PolarHBondContact O-N 2.72Å; A575-L578 PolarHBondContact O-N 3.16Å; A575-L578 VanDerWaalsContact O-N 3.15Å
576	G	96.5	Very high	94.9	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-61.8	-24.8	178.7	0	0	0	0	0	115.3	P557 T559 P574 Q579	P557-G576 PolarHBondContact O-N 2.7Å; T559-G576 CarbonylContact O-C 2.87Å; T559-G576 VanDerWaalsContact O-CA 3.31Å; T559-G576 WeakPolarHBondContact O-CA 3.41Å; P574-G576 PolarHBondContact O-N 3.24Å; G576-Q579 PolarHBondContact O-NE2 3.12Å
577	I	96	Very high	94.7	Very high	2 Å²	2	20.6 Å²	20.6	1%	0.01	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-92.2	-17.5	174.3	-158.8	164	0	0	0	113.2	F145 T559 V560 N561 P574 A575 Q579 F582 I596 V599	F145-I577 HydrophobicContact CE1-CD1 4.46Å; T559-I577 PolarHBondContact O-N 3.12Å; V560-I577 HydrophobicContact CG1-CG1 4.49Å; N561-I577 WeakPolarHBondContact O-CG2 3.37Å; P574-I577 WeakPolarHBondContact O-CG2 3.39Å; P574-I577 PolarHBondContact O-N 2.71Å; A575-I577 VanDerWaalsContact C-N 3.28Å; A575-I577 PolarHBondContact O-N 2.72Å; I577-Q579 PolarHBondContact O-N 3.18Å; I577-F582 HydrophobicContact CD1-CD1 4.3Å; I577-F582 HydrophobicContact CD1-CE1 4.09Å; I577-F582 HydrophobicContact CD1-CZ 4.24Å; I577-F582 HydrophobicContact CG1-CD1 4.11Å; I577-F582 HydrophobicContact CG1-CD2 3.82Å; I577-F582 HydrophobicContact CG1-CE1 4.19Å; I577-F582 HydrophobicContact CG1-CE2 3.94Å; I577-F582 HydrophobicContact CG1-CG 3.92Å; I577-F582 HydrophobicContact CG1-CZ 4.14Å; I577-F582 WeakPolarHBondContact O-CB 3.35Å; I577-I596 HydrophobicContact CG2-CD1 4.16Å; I577-V599 HydrophobicContact CD1-CG1 4.18Å
578	L	94.6	Very high	94.7	Very high	12 Å²	12	20 Å²	20	6%	0.063	11%	0.111	C	C	.	.	S	Bend	trans	-80.3	52.4	-176.8	-64.6	174.4	0	0	0	112.2	F451 A459 I499 A575 I596	F451-L578 HydrophobicContact CE2-CB 3.93Å; F451-L578 HydrophobicContact CE2-CD1 3.6Å; F451-L578 HydrophobicContact CE2-CG 4.41Å; F451-L578 HydrophobicContact CZ-CD1 3.74Å; A459-L578 HydrophobicContact CB-CD2 4.34Å; I499-L578 HydrophobicContact CG2-CD1 3.79Å; A575-L578 PolarHBondContact O-N 3.16Å; A575-L578 VanDerWaalsContact O-N 3.15Å; L578-I596 HydrophobicContact CD2-CD1 3.83Å; L578-I596 HydrophobicContact CD2-CG1 3.89Å
579	Q	93.1	Very high	94.7	Very high	50 Å²	50	21 Å²	21	23%	0.234	12%	0.116	C	C	.	.	S	Bend	trans	-150	170.8	-179.8	59.8	-177.8	-38.2	0	0	111.7	I148 N152 G576 I577 F582 Y583	I148-Q579 HydrophobicContact CG2-CG 3.73Å; N152-Q579 PolarHBondContact ND2-NE2 2.91Å; N152-Q579 PolarHBondContact OD1-NE2 2.93Å; G576-Q579 PolarHBondContact O-NE2 3.12Å; I577-Q579 PolarHBondContact O-N 3.18Å; Q579-F582 WeakPolarHBondContact O-CB 3.4Å; Q579-F582 PolarHBondContact O-N 3.49Å; Q579-Y583 CarbonylContact C-O 3.53Å; Q579-Y583 WeakPolarHBondContact CA-O 3.47Å; Q579-Y583 PolarHBondContact O-N 2.98Å
580	A	92.1	Very high	94.8	Very high	39 Å²	39	21 Å²	21	32%	0.322	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	140.7	-173.8	0	0	0	0	0	111.4	I148 Y583	I148-A580 VanDerWaalsContact CD1-O 3.29Å; I148-A580 WeakPolarHBondContact CD1-O 3.25Å; A580-Y583 WeakPolarHBondContact CA-O 3.47Å; A580-Y583 PolarHBondContact N-O 3.33Å
581	P	93.2	Very high	94.8	Very high	52 Å²	52	21.4 Å²	21.4	34%	0.338	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	cis	-92.1	1.9	8.3	37	-32.6	0	0	0	114.5	T144	T144-P581 HydrophobicContact CG2-CG 3.28Å
582	F	94	Very high	94.8	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-49.2	177.2	-56.9	-85.4	0	0	0	110.8	F145 I148 V560 I577 Q579 I596 V599 V708	F145-F582 AromaticContact CD1-CZ 3.75Å; F145-F582 HydrophobicContact CD1-CZ 3.75Å; F145-F582 HydrophobicContact CD2-CZ 4.32Å; F145-F582 AromaticContact CE1-CE1 3.83Å; F145-F582 HydrophobicContact CE1-CE1 3.83Å; F145-F582 AromaticContact CE1-CZ 3.44Å; F145-F582 HydrophobicContact CE1-CZ 3.44Å; F145-F582 VanDerWaalsContact CE1-CZ 3.44Å; F145-F582 HydrophobicContact CE2-CE1 4.37Å; F145-F582 HydrophobicContact CE2-CZ 4.03Å; F145-F582 HydrophobicContact CG-CZ 4.18Å; F145-F582 AromaticContact CZ-CE1 3.71Å; F145-F582 HydrophobicContact CZ-CE1 3.71Å; F145-F582 AromaticContact CZ-CZ 3.59Å; F145-F582 HydrophobicContact CZ-CZ 3.59Å; I148-F582 HydrophobicContact CD1-CD2 3.89Å; I148-F582 HydrophobicContact CD1-CE2 3.51Å; V560-F582 HydrophobicContact CG1-CE2 4.22Å; I577-F582 HydrophobicContact CD1-CD1 4.3Å; I577-F582 HydrophobicContact CD1-CE1 4.09Å; I577-F582 HydrophobicContact CD1-CZ 4.24Å; I577-F582 HydrophobicContact CG1-CD1 4.11Å; I577-F582 HydrophobicContact CG1-CD2 3.82Å; I577-F582 HydrophobicContact CG1-CE1 4.19Å; I577-F582 HydrophobicContact CG1-CE2 3.94Å; I577-F582 HydrophobicContact CG1-CG 3.92Å; I577-F582 HydrophobicContact CG1-CZ 4.14Å; I577-F582 WeakPolarHBondContact O-CB 3.35Å; Q579-F582 WeakPolarHBondContact O-CB 3.4Å; Q579-F582 PolarHBondContact O-N 3.49Å; F582-I596 HydrophobicContact CB-CB 4.17Å; F582-I596 HydrophobicContact CB-CD1 4.35Å; F582-I596 WeakPolarHBondContact O-CB 3.28Å; F582-I596 WeakPolarHBondContact O-CG2 3.35Å; F582-I596 PolarHBondContact O-N 3.45Å; F582-V599 HydrophobicContact CD1-CG2 3.97Å; F582-V599 HydrophobicContact CE1-CG2 4.23Å; F582-V708 HydrophobicContact CD1-CG1 3.96Å; F582-V708 HydrophobicContact CD1-CG2 3.96Å; F582-V708 HydrophobicContact CE1-CB 4.3Å; F582-V708 HydrophobicContact CE1-CG1 3.27Å; F582-V708 HydrophobicContact CE1-CG2 4.08Å; F582-V708 HydrophobicContact CZ-CG1 3.94Å
583	Y	93.9	Very high	94.9	Very high	7 Å²	7	21.5 Å²	21.5	3%	0.027	12%	0.118	C	C	.	.			trans	-142.6	136.3	-176.4	173.3	-102	0	0	0	111.6	I458 Q579 A580 I596	I458-Y583 WeakPolarHBondContact CD1-OH 3.35Å; I458-Y583 HydrophobicContact CG2-CE2 3.77Å; Q579-Y583 CarbonylContact C-O 3.53Å; Q579-Y583 WeakPolarHBondContact CA-O 3.47Å; Q579-Y583 PolarHBondContact O-N 2.98Å; A580-Y583 WeakPolarHBondContact CA-O 3.47Å; A580-Y583 PolarHBondContact N-O 3.33Å; Y583-I596 HydrophobicContact CD2-CG2 4.08Å; Y583-I596 HydrophobicContact CG-CG2 4.42Å
584	A	92.3	Very high	94.9	Very high	15 Å²	15	21.5 Å²	21.5	12%	0.124	12%	0.119	C	C	.	.			trans	-147.2	142.6	154.8	0	0	0	0	0	109.4	D586 H587 N592	A584-D586 PolarHBondContact O-N 3.44Å; A584-H587 HydrophobicContact CB-CB 4.13Å; A584-H587 PolarHBondContact O-N 3.25Å; A584-N592 PolarHBondContact N-OD1 3.02Å; A584-N592 VanDerWaalsContact N-OD1 3.16Å; A584-N592 PolarHBondContact O-ND2 3.34Å; A584-N592 PolarHBondContact O-OD1 3.4Å
585	Q	89.7	Confident	95	Very high	84 Å²	84	21.6 Å²	21.6	39%	0.393	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-35.3	-176.4	-177.9	179	5.3	0	0	112.7	I458	I458-Q585 HydrophobicContact CD1-CG 3.8Å
586	D	90	Very high	95	Very high	98 Å²	98	21.4 Å²	21.4	52%	0.524	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	1.2	-174.2	62.2	-11.3	0	0	0	114.2	A99 A584	A99-D586 HydrophobicContact CB-CB 3.89Å; A99-D586 WeakPolarHBondContact CB-OD2 3.15Å; A584-D586 PolarHBondContact O-N 3.44Å
587	H	93.5	Very high	95.1	Very high	29 Å²	29	21.4 Å²	21.4	13%	0.134	12%	0.118	C	C	.	.	S	Bend	trans	-80.1	154.1	171.5	-76.9	-168.1	0	0	0	111.8	A584	A584-H587 HydrophobicContact CB-CB 4.13Å; A584-H587 PolarHBondContact O-N 3.25Å
588	P	95.5	Very high	95.2	Very high	7 Å²	7	21.7 Å²	21.7	5%	0.045	12%	0.12	C	C	.	.			trans	-52.2	140.3	169.4	-24.6	32.1	0	0	0	112.1	A590 L591 N592 L690 L700	P588-A590 PolarHBondContact O-N 3.35Å; P588-L591 HydrophobicContact CG-CD1 4.5Å; P588-L591 WeakPolarHBondContact O-CB 3.41Å; P588-L591 PolarHBondContact O-N 2.95Å; P588-N592 PolarHBondContact O-N 2.94Å; P588-L690 HydrophobicContact CG-CD1 4.32Å; P588-L690 HydrophobicContact CG-CD2 3.66Å; P588-L690 HydrophobicContact CG-CG 3.98Å; P588-L700 HydrophobicContact CB-CD2 4.47Å
589	K	96.5	Very high	95.4	Very high	42 Å²	42	22 Å²	22	18%	0.183	12%	0.122	C	C	.	.	H	α-helix	trans	-59.5	-32.4	176.7	-61.2	-50.2	-177.6	-166.9	0	112.3	L591 N592 F593 W680 E687	K589-L591 PolarHBondContact O-N 3.41Å; K589-N592 PolarHBondContact O-N 3.23Å; K589-N592 VanDerWaalsContact O-N 3.17Å; K589-F593 HydrophobicContact CB-CD2 4.11Å; K589-F593 HydrophobicContact CB-CE2 4.28Å; K589-F593 WeakPolarHBondContact O-CB 3.48Å; K589-F593 VanDerWaalsContact O-CD2 3.3Å; K589-F593 WeakPolarHBondContact O-CD2 3.32Å; K589-F593 PolarHBondContact O-N 3.11Å; K589-W680 HydrophobicContact CB-CD2 4.35Å; K589-W680 HydrophobicContact CB-CE3 4.28Å; K589-W680 HydrophobicContact CB-CH2 4.37Å; K589-W680 HydrophobicContact CB-CZ2 4.41Å; K589-W680 HydrophobicContact CB-CZ3 4.32Å; K589-W680 HydrophobicContact CG-CD2 4.22Å; K589-W680 HydrophobicContact CG-CE3 4.41Å; K589-W680 HydrophobicContact CG-CH2 3.81Å; K589-W680 HydrophobicContact CG-CZ2 3.54Å; K589-W680 HydrophobicContact CG-CZ3 4.25Å; K589-E687 WeakPolarHBondContact CA-OE2 3.22Å; K589-E687 WeakPolarHBondContact CB-OE2 3.47Å; K589-E687 WeakPolarHBondContact CG-OE1 3.18Å; K589-E687 PolarHBondContact N-OE1 3.13Å; K589-E687 PolarHBondContact N-OE2 2.73Å
590	A	97.8	Very high	95.7	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-51.7	-41.1	170.8	0	0	0	0	0	113.3	P588 G594 Y677 E687 N697 L700 F701	P588-A590 PolarHBondContact O-N 3.35Å; A590-G594 PolarHBondContact O-N 3.27Å; A590-Y677 HydrophobicContact CB-CE2 3.95Å; A590-E687 PolarHBondContact N-OE2 2.93Å; A590-E687 VanDerWaalsContact N-OE2 3.09Å; A590-N697 HydrophobicContact CB-CB 4.02Å; A590-N697 WeakPolarHBondContact CB-O 3.32Å; A590-L700 HydrophobicContact CB-CB 4.46Å; A590-L700 HydrophobicContact CB-CD2 4.38Å; A590-F701 WeakPolarHBondContact O-CA 3.37Å
591	L	97.8	Very high	96	Very high	8 Å²	8	17.8 Å²	17.8	4%	0.042	10%	0.096	C	C	.	.	H	α-helix	trans	-75.2	-41.3	177.1	-70.2	178.5	0	0	0	112.2	V103 I107 P588 K589 G594 G595 L690 L700	V103-L591 HydrophobicContact CG1-CD1 4.3Å; V103-L591 HydrophobicContact CG2-CD1 3.53Å; I107-L591 HydrophobicContact CD1-CD1 3.86Å; I107-L591 HydrophobicContact CD1-CD2 4.18Å; P588-L591 HydrophobicContact CG-CD1 4.5Å; P588-L591 WeakPolarHBondContact O-CB 3.41Å; P588-L591 PolarHBondContact O-N 2.95Å; K589-L591 PolarHBondContact O-N 3.41Å; L591-G594 CarbonylContact O-C 3.4Å; L591-G594 PolarHBondContact O-N 2.96Å; L591-G595 PolarHBondContact O-N 3.16Å; L591-L690 HydrophobicContact CD1-CD1 4.23Å; L591-L700 HydrophobicContact CD1-CD2 4.46Å; L591-L700 HydrophobicContact CD2-CD1 3.73Å; L591-L700 HydrophobicContact CD2-CD2 4.23Å; L591-L700 HydrophobicContact CD2-CG 3.64Å; L591-L700 HydrophobicContact CG-CD1 4.34Å; L591-L700 HydrophobicContact CG-CD2 3.98Å; L591-L700 HydrophobicContact CG-CG 3.94Å
592	N	97	Very high	96.3	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-64.7	-42.7	178.3	-71.3	-10.5	0	0	0	111.2	M462 A584 P588 K589 G595 I596 G597	M462-N592 HydrophobicContact CE-CB 3.94Å; M462-N592 HydrophobicContact SD-CB 4.24Å; A584-N592 PolarHBondContact N-OD1 3.02Å; A584-N592 VanDerWaalsContact N-OD1 3.16Å; A584-N592 PolarHBondContact O-ND2 3.34Å; A584-N592 PolarHBondContact O-OD1 3.4Å; P588-N592 PolarHBondContact O-N 2.94Å; K589-N592 PolarHBondContact O-N 3.23Å; K589-N592 VanDerWaalsContact O-N 3.17Å; N592-G595 CarbonylContact O-C 3.57Å; N592-G595 PolarHBondContact O-N 3.33Å; N592-I596 WeakPolarHBondContact O-CG2 3.4Å; N592-I596 PolarHBondContact O-N 3.44Å; N592-I596 VanDerWaalsContact O-N 3.08Å; N592-G597 PolarHBondContact O-N 2.93Å
593	F	98.4	Very high	96.5	Very high	1 Å²	1	16.3 Å²	16.3	0%	0.004	8%	0.084	C	C	.	.	I	π-helix	trans	-66.6	-39.1	173.9	-82.6	-72.4	0	0	0	112.2	M462 E465 I466 K589 G595 G597 V598 A676 Y677 W680 F701	M462-F593 HydrophobicContact CE-CD1 4.13Å; M462-F593 HydrophobicContact CE-CE1 4.25Å; M462-F593 HydrophobicContact CE-CG 4.29Å; E465-F593 VanDerWaalsContact OE2-CZ 3.3Å; E465-F593 WeakPolarHBondContact OE2-CZ 3.41Å; I466-F593 HydrophobicContact CG1-CE1 4.3Å; K589-F593 HydrophobicContact CB-CD2 4.11Å; K589-F593 HydrophobicContact CB-CE2 4.28Å; K589-F593 WeakPolarHBondContact O-CB 3.48Å; K589-F593 VanDerWaalsContact O-CD2 3.3Å; K589-F593 WeakPolarHBondContact O-CD2 3.32Å; K589-F593 PolarHBondContact O-N 3.11Å; F593-G595 VanDerWaalsContact C-N 3.3Å; F593-G595 PolarHBondContact O-N 2.87Å; F593-G597 CarbonylContact O-C 3.09Å; F593-G597 VanDerWaalsContact O-CA 3.28Å; F593-G597 WeakPolarHBondContact O-CA 3.46Å; F593-V598 WeakPolarHBondContact O-CG2 3.38Å; F593-V598 PolarHBondContact O-N 3.37Å; F593-A676 HydrophobicContact CD1-CB 4.14Å; F593-A676 HydrophobicContact CE1-CB 3.67Å; F593-A676 HydrophobicContact CZ-CB 4.48Å; F593-Y677 HydrophobicContact CB-CD2 4.45Å; F593-Y677 HydrophobicContact CB-CG 4.37Å; F593-Y677 AromaticContact CD2-CD2 3.76Å; F593-Y677 HydrophobicContact CD2-CD2 3.76Å; F593-Y677 HydrophobicContact CD2-CG 4.27Å; F593-Y677 HydrophobicContact CE2-CD2 4.43Å; F593-Y677 HydrophobicContact CG-CD2 4.37Å; F593-Y677 HydrophobicContact CG-CG 4.48Å; F593-W680 HydrophobicContact CE2-CB 3.98Å; F593-W680 HydrophobicContact CE2-CG 4.03Å; F593-W680 HydrophobicContact CZ-CB 4.24Å; F593-F701 VanDerWaalsContact C-CE2 3.41Å; F593-F701 HydrophobicContact CB-CD2 3.9Å; F593-F701 HydrophobicContact CB-CE2 3.82Å; F593-F701 WeakPolarHBondContact O-CE2 3.42Å
594	G	98.4	Very high	96.7	Very high	1 Å²	1	16 Å²	16	1%	0.01	8%	0.083	C	C	.	.	I	π-helix	trans	-70	-24.3	175.6	0	0	0	0	0	113.8	A590 L591 V598 F701 F705	A590-G594 PolarHBondContact O-N 3.27Å; L591-G594 CarbonylContact O-C 3.4Å; L591-G594 PolarHBondContact O-N 2.96Å; G594-V598 VanDerWaalsContact O-CG2 3.25Å; G594-V598 WeakPolarHBondContact O-CG2 3.31Å; G594-F701 VanDerWaalsContact N-CD2 3.32Å; G594-F705 WeakPolarHBondContact O-CA 3.22Å; G594-F705 WeakPolarHBondContact O-CB 3.31Å; G594-F705 PolarHBondContact O-N 3.09Å
595	G	97.8	Very high	97	Very high	2 Å²	2	15.3 Å²	15.3	2%	0.021	8%	0.077	C	C	.	.	I	π-helix	trans	-96.4	-97.9	177.8	0	0	0	0	0	111.6	L591 N592 F593 G597 V598 V599	L591-G595 PolarHBondContact O-N 3.16Å; N592-G595 CarbonylContact O-C 3.57Å; N592-G595 PolarHBondContact O-N 3.33Å; F593-G595 VanDerWaalsContact C-N 3.3Å; F593-G595 PolarHBondContact O-N 2.87Å; G595-G597 PolarHBondContact O-N 2.99Å; G595-V598 PolarHBondContact O-N 2.87Å; G595-V598 VanDerWaalsContact O-N 3.13Å; G595-V599 PolarHBondContact O-N 3.43Å
596	I	97.6	Very high	97.4	Very high	1 Å²	1	12 Å²	12	1%	0.005	6%	0.062	C	C	.	.	I	π-helix	trans	-61.2	-29.8	-177.2	-165.7	64.1	0	0	0	112.4	M462 I577 L578 F582 Y583 N592 V599 M600	M462-I596 HydrophobicContact CE-CG2 3.73Å; M462-I596 HydrophobicContact SD-CG2 4.18Å; I577-I596 HydrophobicContact CG2-CD1 4.16Å; L578-I596 HydrophobicContact CD2-CD1 3.83Å; L578-I596 HydrophobicContact CD2-CG1 3.89Å; F582-I596 HydrophobicContact CB-CB 4.17Å; F582-I596 HydrophobicContact CB-CD1 4.35Å; F582-I596 WeakPolarHBondContact O-CB 3.28Å; F582-I596 WeakPolarHBondContact O-CG2 3.35Å; F582-I596 PolarHBondContact O-N 3.45Å; Y583-I596 HydrophobicContact CD2-CG2 4.08Å; Y583-I596 HydrophobicContact CG-CG2 4.42Å; N592-I596 WeakPolarHBondContact O-CG2 3.4Å; N592-I596 PolarHBondContact O-N 3.44Å; N592-I596 VanDerWaalsContact O-N 3.08Å; I596-V599 HydrophobicContact CD1-CB 4.28Å; I596-V599 HydrophobicContact CD1-CG1 4.47Å; I596-V599 PolarHBondContact O-N 2.93Å; I596-M600 HydrophobicContact CG1-CE 3.98Å; I596-M600 HydrophobicContact CG1-CG 4.46Å; I596-M600 HydrophobicContact CG1-SD 4.43Å; I596-M600 WeakPolarHBondContact O-CB 3.33Å; I596-M600 WeakPolarHBondContact O-CG 3.41Å; I596-M600 PolarHBondContact O-N 3.01Å
597	G	98.4	Very high	97.8	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.037	C	C	.	.	I	π-helix	trans	-65	-39.2	176.3	0	0	0	0	0	112.7	I466 N592 F593 G595 M600 G601 A673	I466-G597 VanDerWaalsContact CD1-O 3.32Å; I466-G597 WeakPolarHBondContact CD1-O 3.43Å; N592-G597 PolarHBondContact O-N 2.93Å; F593-G597 CarbonylContact O-C 3.09Å; F593-G597 VanDerWaalsContact O-CA 3.28Å; F593-G597 WeakPolarHBondContact O-CA 3.46Å; G595-G597 PolarHBondContact O-N 2.99Å; G597-M600 PolarHBondContact O-N 3.27Å; G597-G601 PolarHBondContact O-N 2.85Å; G597-A673 VanDerWaalsContact C-CB 3.49Å; G597-A673 WeakPolarHBondContact O-CB 3.4Å
598	V	98.8	Very high	98.1	Very high	7 Å²	7	6 Å²	6	4%	0.042	3%	0.031	C	C	.	.	H	α-helix	trans	-66.5	-40.7	173.7	179.2	0	0	0	0	110.7	F593 G594 G595 M600 G601 H602 L670 A673 F701 F705	F593-V598 WeakPolarHBondContact O-CG2 3.38Å; F593-V598 PolarHBondContact O-N 3.37Å; G594-V598 VanDerWaalsContact O-CG2 3.25Å; G594-V598 WeakPolarHBondContact O-CG2 3.31Å; G595-V598 PolarHBondContact O-N 2.87Å; G595-V598 VanDerWaalsContact O-N 3.13Å; V598-M600 VanDerWaalsContact C-N 3.35Å; V598-M600 PolarHBondContact O-N 3.45Å; V598-G601 PolarHBondContact O-N 2.93Å; V598-H602 VanDerWaalsContact O-CB 3.28Å; V598-H602 WeakPolarHBondContact O-CB 3.5Å; V598-H602 PolarHBondContact O-N 3.22Å; V598-L670 HydrophobicContact CG1-CB 4.36Å; V598-L670 HydrophobicContact CG1-CD1 4.44Å; V598-L670 HydrophobicContact CG2-CD1 3.79Å; V598-A673 HydrophobicContact CB-CB 4.46Å; V598-A673 HydrophobicContact CG2-CB 3.87Å; V598-F701 HydrophobicContact CG2-CE2 4.49Å; V598-F701 HydrophobicContact CG2-CZ 4Å; V598-F705 HydrophobicContact CB-CD2 4.22Å; V598-F705 HydrophobicContact CG1-CD2 3.73Å; V598-F705 HydrophobicContact CG1-CE2 3.87Å; V598-F705 HydrophobicContact CG2-CB 4.45Å; V598-F705 HydrophobicContact CG2-CD2 4.05Å
599	V	98.4	Very high	98.2	Very high	18 Å²	18	6 Å²	6	11%	0.109	3%	0.031	C	C	.	.	H	α-helix	trans	-60.4	-45.1	174.5	179.5	0	0	0	0	110.8	A562 F573 I577 F582 G595 I596 G601 H602 E603	A562-V599 HydrophobicContact CB-CG1 3.7Å; F573-V599 HydrophobicContact CD1-CG1 4.34Å; F573-V599 HydrophobicContact CE1-CG1 4.16Å; I577-V599 HydrophobicContact CD1-CG1 4.18Å; F582-V599 HydrophobicContact CD1-CG2 3.97Å; F582-V599 HydrophobicContact CE1-CG2 4.23Å; G595-V599 PolarHBondContact O-N 3.43Å; I596-V599 HydrophobicContact CD1-CB 4.28Å; I596-V599 HydrophobicContact CD1-CG1 4.47Å; I596-V599 PolarHBondContact O-N 2.93Å; V599-G601 PolarHBondContact O-N 2.85Å; V599-H602 WeakPolarHBondContact O-CB 3.35Å; V599-H602 PolarHBondContact O-N 3.28Å; V599-E603 WeakPolarHBondContact O-CG 3.44Å; V599-E603 PolarHBondContact O-N 2.76Å
600	M	98.3	Very high	98.2	Very high	1 Å²	1	5 Å²	5	1%	0.005	3%	0.027	C	C	.	.	H	α-helix	trans	-60.6	-43	175.5	-78.5	171.6	174.8	0	0	112.7	A459 M462 I463 I466 F573 I596 G597 V598 H602 L604	A459-M600 HydrophobicContact CB-CE 3.79Å; A459-M600 WeakPolarHBondContact O-CE 3.39Å; M462-M600 HydrophobicContact CB-CE 4.35Å; M462-M600 HydrophobicContact CB-SD 3.86Å; I463-M600 HydrophobicContact CB-CE 4.49Å; I463-M600 HydrophobicContact CB-SD 4.1Å; I463-M600 HydrophobicContact CD1-CB 3.79Å; I463-M600 HydrophobicContact CD1-CG 4.1Å; I466-M600 HydrophobicContact CD1-CB 3.51Å; I466-M600 HydrophobicContact CD1-CG 4.33Å; I466-M600 HydrophobicContact CD1-SD 3.88Å; F573-M600 HydrophobicContact CD1-CG 4.32Å; F573-M600 HydrophobicContact CE1-CB 4.29Å; F573-M600 HydrophobicContact CE1-CG 3.76Å; F573-M600 HydrophobicContact CE2-CG 4.17Å; F573-M600 HydrophobicContact CZ-CB 4.1Å; F573-M600 HydrophobicContact CZ-CG 3.68Å; I596-M600 HydrophobicContact CG1-CE 3.98Å; I596-M600 HydrophobicContact CG1-CG 4.46Å; I596-M600 HydrophobicContact CG1-SD 4.43Å; I596-M600 WeakPolarHBondContact O-CB 3.33Å; I596-M600 WeakPolarHBondContact O-CG 3.41Å; I596-M600 PolarHBondContact O-N 3.01Å; G597-M600 PolarHBondContact O-N 3.27Å; V598-M600 VanDerWaalsContact C-N 3.35Å; V598-M600 PolarHBondContact O-N 3.45Å; M600-H602 VanDerWaalsContact C-N 3.32Å; M600-L604 WeakPolarHBondContact O-CB 3.39Å; M600-L604 PolarHBondContact O-N 3.03Å; M600-L604 VanDerWaalsContact O-N 3.08Å
601	G	98.6	Very high	98.2	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-65.8	-35.7	174.9	0	0	0	0	0	112.6	G597 V598 V599 L604 T605 G669	G597-G601 PolarHBondContact O-N 2.85Å; V598-G601 PolarHBondContact O-N 2.93Å; V599-G601 PolarHBondContact O-N 2.85Å; G601-L604 PolarHBondContact O-N 3.26Å; G601-T605 WeakPolarHBondContact O-CB 3.35Å; G601-T605 PolarHBondContact O-N 2.86Å; G601-T605 PolarHBondContact O-OG1 3.01Å; G601-G669 WeakPolarHBondContact O-CA 3.47Å
602	H	98.8	Very high	98.2	Very high	11 Å²	11	7.3 Å²	7.3	5%	0.051	4%	0.038	C	C	.	.	H	α-helix	trans	-63.5	-52.5	177.9	177.7	92	0	0	0	110.5	V598 V599 M600 L604 T605 H606 E662 A665 D666 R733	V598-H602 VanDerWaalsContact O-CB 3.28Å; V598-H602 WeakPolarHBondContact O-CB 3.5Å; V598-H602 PolarHBondContact O-N 3.22Å; V599-H602 WeakPolarHBondContact O-CB 3.35Å; V599-H602 PolarHBondContact O-N 3.28Å; M600-H602 VanDerWaalsContact C-N 3.32Å; H602-L604 VanDerWaalsContact C-N 3.3Å; H602-L604 PolarHBondContact O-N 2.89Å; H602-T605 PolarHBondContact O-N 2.58Å; H602-H606 AromaticContact CD2-CD2 3.84Å; H602-H606 AromaticContact CD2-NE2 3.58Å; H602-H606 AromaticContact CE1-NE2 3.78Å; H602-H606 AromaticContact NE2-CD2 3.89Å; H602-H606 AromaticContact NE2-NE2 3.14Å; H602-H606 PolarHBondContact NE2-NE2 2.82Å; H602-H606 VanDerWaalsContact NE2-NE2 3.14Å; H602-H606 PolarHBondContact O-N 2.97Å; H602-E662 IonicContact CE1-OE2 3.91Å; H602-E662 PolarHBondContact CE1-OE2 3.05Å; H602-E662 VanDerWaalsContact CE1-OE2 3.22Å; H602-E662 IonicContact NE2-OE2 2.83Å; H602-E662 PolarHBondContact NE2-OE2 3.47Å; H602-E662 VanDerWaalsContact NE2-OE2 3.15Å; H602-A665 WeakPolarHBondContact CA-O 3.46Å; H602-A665 WeakPolarHBondContact CE1-CB 3.5Å; H602-A665 VanDerWaalsContact ND1-CB 3.3Å; H602-A665 WeakPolarHBondContact ND1-CB 3.36Å; H602-D666 IonicContact CE1-OD1 3.77Å; H602-D666 PolarHBondContact CE1-OD1 2.99Å; H602-D666 PolarHBondContact ND1-N 3.39Å; H602-D666 IonicContact ND1-OD1 3.77Å; H602-D666 PolarHBondContact ND1-OD1 2.95Å; H602-D666 VanDerWaalsContact ND1-OD1 3.11Å; H602-R733 PolarHBondContact CE1-NH2 2.8Å; H602-R733 PolarHBondContact NE2-NH2 2.88Å
603	E	98.6	Very high	98.2	Very high	11 Å²	11	8.7 Å²	8.7	5%	0.051	4%	0.043	C	C	.	.	H	α-helix	trans	-62.6	-36	176.7	-56.8	-49	153.3	0	0	112.9	A562 Y563 Y564 I571 F573 V599 T605 H606	A562-E603 HydrophobicContact CB-CG 3.82Å; A562-E603 WeakPolarHBondContact CB-OE1 3.34Å; Y563-E603 WeakPolarHBondContact CA-OE2 3.41Å; Y564-E603 PolarHBondContact N-OE2 3.46Å; I571-E603 HydrophobicContact CB-CB 4.06Å; I571-E603 HydrophobicContact CG2-CB 3.72Å; I571-E603 WeakPolarHBondContact CG2-O 3.43Å; F573-E603 HydrophobicContact CE1-CB 4.19Å; F573-E603 HydrophobicContact CE1-CG 3.63Å; F573-E603 HydrophobicContact CZ-CB 3.98Å; F573-E603 HydrophobicContact CZ-CG 3.94Å; V599-E603 WeakPolarHBondContact O-CG 3.44Å; V599-E603 PolarHBondContact O-N 2.76Å; E603-T605 VanDerWaalsContact C-N 3.32Å; E603-H606 PolarHBondContact O-N 3.17Å; E603-H606 IonicContact OE2-CD2 3.16Å; E603-H606 PolarHBondContact OE2-CD2 3.35Å
604	L	98.5	Very high	98.2	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-64.8	-39.9	174	-174.3	150.1	0	0	0	111.3	R467 F470 I495 M600 G601 H602 H606 A607 F608	R467-L604 HydrophobicContact CB-CD1 3.79Å; R467-L604 HydrophobicContact CG-CD1 4.07Å; F470-L604 HydrophobicContact CB-CD2 3.71Å; F470-L604 HydrophobicContact CD1-CD2 3.51Å; F470-L604 HydrophobicContact CD2-CD2 3.4Å; F470-L604 HydrophobicContact CE1-CD2 3.92Å; F470-L604 HydrophobicContact CE2-CD2 3.8Å; F470-L604 HydrophobicContact CG-CD2 3.24Å; F470-L604 HydrophobicContact CZ-CD2 4.05Å; I495-L604 HydrophobicContact CD1-CG 4.01Å; M600-L604 WeakPolarHBondContact O-CB 3.39Å; M600-L604 PolarHBondContact O-N 3.03Å; M600-L604 VanDerWaalsContact O-N 3.08Å; G601-L604 PolarHBondContact O-N 3.26Å; H602-L604 VanDerWaalsContact C-N 3.3Å; H602-L604 PolarHBondContact O-N 2.89Å; L604-H606 VanDerWaalsContact C-N 3.32Å; L604-H606 PolarHBondContact O-N 3.18Å; L604-A607 VanDerWaalsContact O-CB 3.29Å; L604-A607 WeakPolarHBondContact O-CB 3.47Å; L604-A607 PolarHBondContact O-N 3.17Å; L604-F608 HydrophobicContact CD2-CE2 4.35Å
605	T	98.6	Very high	98.2	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-70.7	-28.6	-178.9	-56.6	0	0	0	0	112	G601 H602 E603 A607 F608 D609 I664 A665 G669 W765	G601-T605 WeakPolarHBondContact O-CB 3.35Å; G601-T605 PolarHBondContact O-N 2.86Å; G601-T605 PolarHBondContact O-OG1 3.01Å; H602-T605 PolarHBondContact O-N 2.58Å; E603-T605 VanDerWaalsContact C-N 3.32Å; T605-A607 PolarHBondContact O-N 3.2Å; T605-A607 VanDerWaalsContact O-N 3.15Å; T605-F608 CarbonylContact O-C 3.56Å; T605-F608 WeakPolarHBondContact O-CA 3.45Å; T605-F608 PolarHBondContact O-N 3.38Å; T605-D609 PolarHBondContact O-N 2.82Å; T605-D609 VanDerWaalsContact O-N 3.11Å; T605-I664 HydrophobicContact CG2-CG2 4.12Å; T605-A665 HydrophobicContact CG2-CB 4.49Å; T605-G669 PolarHBondContact OG1-N 3.29Å; T605-W765 HydrophobicContact CG2-CG 4.11Å
606	H	98.6	Very high	98.2	Very high	16 Å²	16	9.7 Å²	9.7	7%	0.074	5%	0.047	C	C	.	.	H	α-helix	trans	-56.4	-27	170.9	-83.5	-52.4	0	0	0	113.2	Y564 H602 E603 L604 F608 D609 G612 E662	Y564-H606 HydrophobicContact CD1-CB 3.63Å; Y564-H606 HydrophobicContact CG-CB 3.79Å; H602-H606 AromaticContact CD2-CD2 3.84Å; H602-H606 AromaticContact CD2-NE2 3.58Å; H602-H606 AromaticContact CE1-NE2 3.78Å; H602-H606 AromaticContact NE2-CD2 3.89Å; H602-H606 AromaticContact NE2-NE2 3.14Å; H602-H606 PolarHBondContact NE2-NE2 2.82Å; H602-H606 VanDerWaalsContact NE2-NE2 3.14Å; H602-H606 PolarHBondContact O-N 2.97Å; E603-H606 PolarHBondContact O-N 3.17Å; E603-H606 IonicContact OE2-CD2 3.16Å; E603-H606 PolarHBondContact OE2-CD2 3.35Å; L604-H606 VanDerWaalsContact C-N 3.32Å; L604-H606 PolarHBondContact O-N 3.18Å; H606-F608 PolarHBondContact O-N 3.14Å; H606-D609 IonicContact CE1-OD2 2.63Å; H606-D609 IonicContact CG-OD2 3.65Å; H606-D609 IonicContact ND1-OD2 3.7Å; H606-D609 PolarHBondContact ND1-OD2 3.45Å; H606-D609 PolarHBondContact O-N 3.34Å; H606-G612 WeakPolarHBondContact O-CA 3.39Å; H606-E662 VanDerWaalsContact CE1-CD 3.5Å; H606-E662 IonicContact CE1-OE1 2.81Å; H606-E662 PolarHBondContact CE1-OE1 3.15Å; H606-E662 VanDerWaalsContact CE1-OE1 3.27Å; H606-E662 IonicContact CE1-OE2 2.63Å; H606-E662 PolarHBondContact CE1-OE2 3.06Å; H606-E662 IonicContact NE2-OE1 2.79Å; H606-E662 IonicContact NE2-OE2 3.79Å; H606-E662 PolarHBondContact NE2-OE2 2.8Å
607	A	98.4	Very high	98.2	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-10.3	171.6	0	0	0	0	0	113.8	K491 I495 Y564 L604 T605 G612	K491-A607 WeakPolarHBondContact CE-O 3.44Å; K491-A607 PolarHBondContact NZ-O 2.9Å; I495-A607 HydrophobicContact CD1-CB 3.8Å; I495-A607 HydrophobicContact CG1-CB 4.46Å; Y564-A607 HydrophobicContact CD2-CB 4.37Å; Y564-A607 HydrophobicContact CE1-CB 4.19Å; Y564-A607 HydrophobicContact CE2-CB 3.67Å; Y564-A607 VanDerWaalsContact CZ-CA 3.4Å; Y564-A607 WeakPolarHBondContact OH-CA 3.47Å; L604-A607 VanDerWaalsContact O-CB 3.29Å; L604-A607 WeakPolarHBondContact O-CB 3.47Å; L604-A607 PolarHBondContact O-N 3.17Å; T605-A607 PolarHBondContact O-N 3.2Å; T605-A607 VanDerWaalsContact O-N 3.15Å; A607-G612 CarbonylContact O-C 3.38Å; A607-G612 VanDerWaalsContact O-C 3.24Å
608	F	98.4	Very high	98.1	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-136.5	11.7	-175.3	-50.9	-84.6	0	0	0	112.7	F470 A488 K491 A492 I495 L604 T605 H606 W624 W765	F470-F608 HydrophobicContact CD1-CE2 4.37Å; F470-F608 AromaticContact CE1-CD2 3.69Å; F470-F608 HydrophobicContact CE1-CD2 3.69Å; F470-F608 AromaticContact CE1-CE2 3.42Å; F470-F608 HydrophobicContact CE1-CE2 3.42Å; F470-F608 VanDerWaalsContact CE1-CE2 3.42Å; F470-F608 HydrophobicContact CE1-CG 4.39Å; F470-F608 AromaticContact CE1-CZ 3.93Å; F470-F608 HydrophobicContact CE1-CZ 3.93Å; F470-F608 HydrophobicContact CE2-CD2 4.28Å; F470-F608 HydrophobicContact CZ-CB 4.47Å; F470-F608 AromaticContact CZ-CD2 3.35Å; F470-F608 HydrophobicContact CZ-CD2 3.35Å; F470-F608 AromaticContact CZ-CE2 3.63Å; F470-F608 HydrophobicContact CZ-CE2 3.63Å; F470-F608 AromaticContact CZ-CG 3.93Å; F470-F608 HydrophobicContact CZ-CG 3.93Å; F470-F608 HydrophobicContact CZ-CZ 4.4Å; A488-F608 HydrophobicContact CB-CD1 4.4Å; A488-F608 HydrophobicContact CB-CE1 3.9Å; A488-F608 WeakPolarHBondContact O-CZ 3.46Å; K491-F608 HydrophobicContact CB-CE1 4.04Å; K491-F608 HydrophobicContact CB-CZ 4.13Å; K491-F608 HydrophobicContact CD-CD1 4.47Å; K491-F608 HydrophobicContact CD-CE1 3.87Å; K491-F608 HydrophobicContact CD-CZ 4.24Å; K491-F608 HydrophobicContact CG-CE1 4.04Å; K491-F608 HydrophobicContact CG-CZ 4.01Å; A492-F608 HydrophobicContact CB-CE2 4.33Å; A492-F608 HydrophobicContact CB-CZ 3.95Å; I495-F608 HydrophobicContact CD1-CE2 4.3Å; L604-F608 HydrophobicContact CD2-CE2 4.35Å; T605-F608 CarbonylContact O-C 3.56Å; T605-F608 WeakPolarHBondContact O-CA 3.45Å; T605-F608 PolarHBondContact O-N 3.38Å; H606-F608 PolarHBondContact O-N 3.14Å; F608-W624 HydrophobicContact CD1-CH2 4.22Å; F608-W624 HydrophobicContact CE1-CH2 4.05Å; F608-W765 HydrophobicContact CB-CD2 4.14Å; F608-W765 VanDerWaalsContact CB-CE2 3.48Å; F608-W765 HydrophobicContact CB-CH2 3.82Å; F608-W765 HydrophobicContact CB-CZ2 3.37Å; F608-W765 HydrophobicContact CB-CZ3 4.38Å; F608-W765 HydrophobicContact CD1-CH2 4.45Å; F608-W765 HydrophobicContact CG-CH2 4.45Å; F608-W765 HydrophobicContact CG-CZ2 4.43Å; F608-W765 WeakPolarHBondContact O-CZ2 3.39Å; F608-W765 PolarHBondContact O-NE1 2.96Å
609	D	98.2	Very high	98.1	Very high	8 Å²	8	18 Å²	18	4%	0.043	9%	0.086	C	C	.	.	S	Bend	trans	-71.1	-168.7	172.6	71.9	18.3	0	0	0	112	T605 H606 Q611 G612 R613 I664	T605-D609 PolarHBondContact O-N 2.82Å; T605-D609 VanDerWaalsContact O-N 3.11Å; H606-D609 IonicContact CE1-OD2 2.63Å; H606-D609 IonicContact CG-OD2 3.65Å; H606-D609 IonicContact ND1-OD2 3.7Å; H606-D609 PolarHBondContact ND1-OD2 3.45Å; H606-D609 PolarHBondContact O-N 3.34Å; D609-Q611 PolarHBondContact O-N 3.35Å; D609-Q611 WeakPolarHBondContact OD1-CA 3.38Å; D609-Q611 PolarHBondContact OD1-N 2.9Å; D609-G612 PolarHBondContact OD1-N 3.21Å; D609-R613 VanDerWaalsContact O-CB 3.28Å; D609-R613 WeakPolarHBondContact O-CB 3.35Å; D609-R613 WeakPolarHBondContact O-CG 3.35Å; D609-R613 PolarHBondContact O-N 2.96Å; D609-I664 HydrophobicContact CB-CB 4.3Å; D609-I664 HydrophobicContact CB-CD1 4.46Å; D609-I664 HydrophobicContact CB-CG2 4.14Å
610	D	96.8	Very high	98.1	Very high	21 Å²	21	18.2 Å²	18.2	11%	0.112	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-25.3	-178.2	61.1	-52	0	0	0	114.1	R320 R613 F633 L660 G661 I664	R320-D610 IonicContact CZ-OD1 2.66Å; R320-D610 IonicContact CZ-OD2 3.98Å; R320-D610 IonicContact NE-OD1 2.63Å; R320-D610 IonicContact NE-OD2 3.58Å; R320-D610 PolarHBondContact NE-OD2 3.22Å; R320-D610 IonicContact NH2-OD1 2.9Å; R320-D610 PolarHBondContact NH2-OD1 3.29Å; R320-D610 IonicContact NH2-OD2 3.56Å; R320-D610 PolarHBondContact NH2-OD2 3.04Å; R320-D610 VanDerWaalsContact NH2-OD2 3.11Å; D610-R613 PolarHBondContact O-NH2 3.45Å; D610-F633 HydrophobicContact CB-CE1 4.39Å; D610-L660 HydrophobicContact CB-CD2 4.28Å; D610-G661 WeakPolarHBondContact OD1-CA 3.43Å; D610-G661 PolarHBondContact OD1-N 3.19Å; D610-I664 HydrophobicContact CB-CD1 4.49Å
611	Q	96.9	Very high	98.1	Very high	54 Å²	54	18.5 Å²	18.5	25%	0.252	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-54.1	178.1	-76.8	178.7	-56.8	0	0	112.1	R320 D609 R613 E614 Y615	R320-Q611 WeakPolarHBondContact O-CG 3.47Å; R320-Q611 PolarHBondContact O-NE2 2.57Å; D609-Q611 PolarHBondContact O-N 3.35Å; D609-Q611 WeakPolarHBondContact OD1-CA 3.38Å; D609-Q611 PolarHBondContact OD1-N 2.9Å; Q611-R613 PolarHBondContact O-N 2.91Å; Q611-E614 WeakPolarHBondContact O-CB 3.45Å; Q611-E614 WeakPolarHBondContact O-CG 3.29Å; Q611-E614 PolarHBondContact O-N 3.29Å; Q611-Y615 WeakPolarHBondContact O-CD2 3.15Å
612	G	97.8	Very high	98	Very high	1 Å²	1	25 Å²	25	1%	0.01	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-62	-30.2	-174.7	0	0	0	0	0	113	K491 H606 A607 D609 E614 Y615	K491-G612 PolarHBondContact NZ-O 3.17Å; H606-G612 WeakPolarHBondContact O-CA 3.39Å; A607-G612 CarbonylContact O-C 3.38Å; A607-G612 VanDerWaalsContact O-C 3.24Å; D609-G612 PolarHBondContact OD1-N 3.21Å; G612-E614 PolarHBondContact O-N 3.3Å; G612-E614 VanDerWaalsContact O-N 3.11Å; G612-Y615 PolarHBondContact O-N 3.32Å; G612-Y615 VanDerWaalsContact O-N 3.14Å
613	R	97.7	Very high	97.7	Very high	29 Å²	29	28.3 Å²	28.3	11%	0.109	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-59.2	-22.5	174.2	74.3	167	176.9	63.6	23.2	113.4	D609 D610 Q611 Y615 W624 W625	D609-R613 VanDerWaalsContact O-CB 3.28Å; D609-R613 WeakPolarHBondContact O-CB 3.35Å; D609-R613 WeakPolarHBondContact O-CG 3.35Å; D609-R613 PolarHBondContact O-N 2.96Å; D610-R613 PolarHBondContact O-NH2 3.45Å; Q611-R613 PolarHBondContact O-N 2.91Å; R613-Y615 PolarHBondContact O-N 3.18Å; R613-W624 VanDerWaalsContact O-CE2 3.26Å; R613-W624 WeakPolarHBondContact O-CZ2 3.46Å; R613-W624 PolarHBondContact O-NE1 2.94Å; R613-W625 HydrophobicContact CB-CH2 3.98Å; R613-W625 HydrophobicContact CB-CZ2 3.69Å
614	E	98.2	Very high	97.7	Very high	9 Å²	9	30 Å²	30	4%	0.042	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-78.2	-16	-176.7	-53.8	-166.8	155.9	0	0	112.1	E322 E323 Q611 G612 L621 R622	E322-E614 PolarHBondContact N-OE2 3.16Å; E323-E614 PolarHBondContact N-OE2 2.78Å; E323-E614 VanDerWaalsContact N-OE2 3.17Å; Q611-E614 WeakPolarHBondContact O-CB 3.45Å; Q611-E614 WeakPolarHBondContact O-CG 3.29Å; Q611-E614 PolarHBondContact O-N 3.29Å; G612-E614 PolarHBondContact O-N 3.3Å; G612-E614 VanDerWaalsContact O-N 3.11Å; E614-L621 HydrophobicContact CB-CD1 3.5Å; E614-L621 WeakPolarHBondContact O-CA 3.42Å; E614-R622 PolarHBondContact O-N 2.05Å; E614-R622 VanDerWaalsContact O-N 3.12Å; E614-R622 VanDerWaalsContact O-O 3.11Å
615	Y	98.4	Very high	97.6	Very high	13 Å²	13	30.6 Å²	30.6	5%	0.051	15%	0.145	C	C	.	.	B	Isolated β-bridge	trans	-96.5	135.8	176.5	-61.2	-100.2	0	0	0	110.1	P242 E322 K491 P566 T567 Q611 G612 R613 N620 L621 W624	P242-Y615 HydrophobicContact CB-CE1 4.15Å; E322-Y615 VanDerWaalsContact CG-OH 3.26Å; E322-Y615 WeakPolarHBondContact CG-OH 3.4Å; E322-Y615 PolarHBondContact OE1-OH 3.14Å; K491-Y615 WeakPolarHBondContact CE-O 3.31Å; K491-Y615 PolarHBondContact NZ-O 3.26Å; P566-Y615 HydrophobicContact CB-CD1 3.87Å; P566-Y615 HydrophobicContact CB-CD2 3.46Å; P566-Y615 VanDerWaalsContact CB-CD2 3.46Å; P566-Y615 HydrophobicContact CB-CE1 3.99Å; P566-Y615 HydrophobicContact CB-CE2 3.6Å; P566-Y615 HydrophobicContact CB-CG 3.58Å; P566-Y615 HydrophobicContact CG-CD2 4.34Å; P566-Y615 HydrophobicContact CG-CE2 4.17Å; T567-Y615 HydrophobicContact CG2-CD1 4.49Å; T567-Y615 HydrophobicContact CG2-CE1 3.92Å; Q611-Y615 WeakPolarHBondContact O-CD2 3.15Å; G612-Y615 PolarHBondContact O-N 3.32Å; G612-Y615 VanDerWaalsContact O-N 3.14Å; R613-Y615 PolarHBondContact O-N 3.18Å; Y615-N620 WeakPolarHBondContact CA-O 3.47Å; Y615-L621 HydrophobicContact CD1-CB 4.18Å; Y615-L621 HydrophobicContact CE1-CB 4.02Å; Y615-L621 HydrophobicContact CE2-CD1 4.31Å; Y615-W624 VanDerWaalsContact C-NE1 3.3Å; Y615-W624 PolarHBondContact O-NE1 3.33Å
616	D	97.9	Very high	97.4	Very high	4 Å²	4	34.7 Å²	34.7	2%	0.021	16%	0.164	C	C	.	.			trans	-75.9	-171.9	175.4	71.9	8.7	0	0	0	112.8	K491 D618 G619 N620 R622 W624	K491-D616 WeakPolarHBondContact CE-O 3.22Å; D616-D618 PolarHBondContact O-N 2.5Å; D616-D618 WeakPolarHBondContact OD1-CA 3.43Å; D616-D618 PolarHBondContact OD1-N 2.87Å; D616-G619 PolarHBondContact O-N 3.07Å; D616-G619 PolarHBondContact OD1-N 2.78Å; D616-N620 PolarHBondContact N-O 2.63Å; D616-N620 PolarHBondContact OD1-N 3.16Å; D616-R622 HydrophobicContact CB-CG 4.27Å; D616-R622 IonicContact OD2-CZ 2.69Å; D616-R622 IonicContact OD2-NE 3.31Å; D616-R622 PolarHBondContact OD2-NE 3.43Å; D616-R622 IonicContact OD2-NH2 3.92Å; D616-R622 PolarHBondContact OD2-NH2 3.02Å; D616-W624 HydrophobicContact CB-CG 4.24Å
617	K	98	Very high	97.3	Very high	95 Å²	95	39.9 Å²	39.9	41%	0.413	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-22.4	178.2	70.9	174	-172.4	171.7	0	115.2	K491 A494 N569	K491-K617 HydrophobicContact CB-CB 4.11Å; K491-K617 HydrophobicContact CG-CB 4.4Å; A494-K617 HydrophobicContact CB-CB 3.85Å; N569-K617 PolarHBondContact ND2-O 3.01Å; N569-K617 VanDerWaalsContact ND2-O 3.1Å
618	D	97.2	Very high	97.2	Very high	86 Å²	86	43.7 Å²	43.7	46%	0.46	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	0.5	-177.4	-57.1	-50.8	0	0	0	111.2	S245 D616 R622	S245-D618 WeakPolarHBondContact CB-O 3.37Å; S245-D618 PolarHBondContact OG-O 2.88Å; D616-D618 PolarHBondContact O-N 2.5Å; D616-D618 WeakPolarHBondContact OD1-CA 3.43Å; D616-D618 PolarHBondContact OD1-N 2.87Å; D618-R622 IonicContact OD2-NH2 2.84Å
619	G	97.5	Very high	97.1	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.22	C	C	.	.	S	Bend	trans	84.3	19.9	179.8	0	0	0	0	0	114.8	P566 T567 D616	P566-G619 VanDerWaalsContact O-CA 3.29Å; P566-G619 WeakPolarHBondContact O-CA 3.3Å; T567-G619 WeakPolarHBondContact CA-O 3.4Å; D616-G619 PolarHBondContact O-N 3.07Å; D616-G619 PolarHBondContact OD1-N 2.78Å
620	N	98.4	Very high	97.1	Very high	23 Å²	23	44.2 Å²	44.2	12%	0.123	22%	0.223	C	C	.	.			trans	-98.1	129.4	177.6	-58.7	-75.5	0	0	0	111.6	P242 N244 S245 Y615 D616 R622	P242-N620 CarbonylContact O-C 3.49Å; P242-N620 WeakPolarHBondContact O-CA 3.32Å; N244-N620 WeakPolarHBondContact CA-OD1 3.24Å; S245-N620 PolarHBondContact N-OD1 2.87Å; S245-N620 PolarHBondContact OG-ND2 3.09Å; S245-N620 PolarHBondContact OG-OD1 2.88Å; Y615-N620 WeakPolarHBondContact CA-O 3.47Å; D616-N620 PolarHBondContact N-O 2.63Å; D616-N620 PolarHBondContact OD1-N 3.16Å; N620-R622 PolarHBondContact O-N 3.47Å
621	L	98.2	Very high	97.1	Very high	8 Å²	8	47.8 Å²	47.8	4%	0.042	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-65.9	97	169.6	-178	67.3	0	0	0	109.8	P242 K243 E322 E323 Y326 E614 Y615	P242-L621 HydrophobicContact CB-CB 4.07Å; P242-L621 HydrophobicContact CB-CD2 4.06Å; P242-L621 VanDerWaalsContact O-CB 3.28Å; P242-L621 WeakPolarHBondContact O-CB 3.03Å; P242-L621 PolarHBondContact O-N 3.38Å; K243-L621 HydrophobicContact CG-CB 4.13Å; K243-L621 HydrophobicContact CG-CD2 4.31Å; E322-L621 HydrophobicContact CB-CD1 4.07Å; E322-L621 HydrophobicContact CB-CD2 4.26Å; E322-L621 HydrophobicContact CG-CD1 4.34Å; E322-L621 HydrophobicContact CG-CD2 3.83Å; E323-L621 HydrophobicContact CB-CD1 4.49Å; Y326-L621 HydrophobicContact CD2-CD2 4.33Å; Y326-L621 HydrophobicContact CG-CD2 4.18Å; E614-L621 HydrophobicContact CB-CD1 3.5Å; E614-L621 WeakPolarHBondContact O-CA 3.42Å; Y615-L621 HydrophobicContact CD1-CB 4.18Å; Y615-L621 HydrophobicContact CE1-CB 4.02Å; Y615-L621 HydrophobicContact CE2-CD1 4.31Å
622	R	96.6	Very high	97.1	Very high	136 Å²	136	46.4 Å²	46.4	51%	0.513	24%	0.237	S	C	.	.	S	Bend	trans	-155.4	152.6	176.9	64.1	173.6	177.7	-172.2	-8.4	110.1	E614 D616 D618 N620 W624	E614-R622 PolarHBondContact O-N 2.05Å; E614-R622 VanDerWaalsContact O-N 3.12Å; E614-R622 VanDerWaalsContact O-O 3.11Å; D616-R622 HydrophobicContact CB-CG 4.27Å; D616-R622 IonicContact OD2-CZ 2.69Å; D616-R622 IonicContact OD2-NE 3.31Å; D616-R622 PolarHBondContact OD2-NE 3.43Å; D616-R622 IonicContact OD2-NH2 3.92Å; D616-R622 PolarHBondContact OD2-NH2 3.02Å; D618-R622 IonicContact OD2-NH2 2.84Å; N620-R622 PolarHBondContact O-N 3.47Å; R622-W624 VanDerWaalsContact O-CD1 3.22Å; R622-W624 PolarHBondContact O-N 3.27Å
623	S	93.8	Very high	97.1	Very high	80 Å²	80	46.4 Å²	46.4	56%	0.559	24%	0.237	S	C	*	.			trans	-68.6	118.6	172.6	-175.6	0	0	0	0	111
624	W	96.8	Very high	97	Very high	46 Å²	46	49.2 Å²	49.2	17%	0.174	25%	0.249	C	C	.	.			trans	-124.9	4.2	174.6	60.5	-85.3	0	0	0	112.8	A487 A488 K491 F608 R613 Y615 D616 R622	A487-W624 HydrophobicContact CB-CE3 3.63Å; A487-W624 HydrophobicContact CB-CZ3 3.8Å; A488-W624 HydrophobicContact CB-CH2 4.39Å; A488-W624 HydrophobicContact CB-CZ3 4.31Å; K491-W624 HydrophobicContact CB-CH2 4.28Å; K491-W624 HydrophobicContact CD-CH2 3.84Å; K491-W624 HydrophobicContact CD-CZ2 3.62Å; F608-W624 HydrophobicContact CD1-CH2 4.22Å; F608-W624 HydrophobicContact CE1-CH2 4.05Å; R613-W624 VanDerWaalsContact O-CE2 3.26Å; R613-W624 WeakPolarHBondContact O-CZ2 3.46Å; R613-W624 PolarHBondContact O-NE1 2.94Å; Y615-W624 VanDerWaalsContact C-NE1 3.3Å; Y615-W624 PolarHBondContact O-NE1 3.33Å; D616-W624 HydrophobicContact CB-CG 4.24Å; R622-W624 VanDerWaalsContact O-CD1 3.22Å; R622-W624 PolarHBondContact O-N 3.27Å
625	W	96.6	Very high	97	Very high	14 Å²	14	54.6 Å²	54.6	5%	0.053	28%	0.278	C	S	.	.	S	Bend	trans	-105.5	152	175.4	-73.3	27.5	0	0	0	110.2	W479 M480 T484 R613 V630 F633 W765	W479-W625 HydrophobicContact CH2-CH2 4.18Å; W479-W625 HydrophobicContact CH2-CZ3 4.05Å; W479-W625 HydrophobicContact CZ3-CZ3 4.12Å; M480-W625 HydrophobicContact CE-CH2 3.89Å; M480-W625 HydrophobicContact CE-CZ2 4.14Å; M480-W625 HydrophobicContact CE-CZ3 4.11Å; T484-W625 HydrophobicContact CG2-CB 3.93Å; T484-W625 HydrophobicContact CG2-CD2 3.56Å; T484-W625 HydrophobicContact CG2-CE3 4.11Å; T484-W625 HydrophobicContact CG2-CG 3.46Å; T484-W625 VanDerWaalsContact CG2-CG 3.46Å; R613-W625 HydrophobicContact CB-CH2 3.98Å; R613-W625 HydrophobicContact CB-CZ2 3.69Å; W625-V630 HydrophobicContact CB-CG2 3.63Å; W625-V630 HydrophobicContact CE3-CG2 4.11Å; W625-V630 HydrophobicContact CG-CG2 4.39Å; W625-F633 AromaticContact CH2-CD2 3.9Å; W625-F633 HydrophobicContact CH2-CD2 3.9Å; W625-F633 HydrophobicContact CH2-CE2 4.37Å; W625-F633 HydrophobicContact CH2-CG 4.25Å; W625-F633 HydrophobicContact CZ3-CB 3.74Å; W625-F633 AromaticContact CZ3-CD2 3.98Å; W625-F633 HydrophobicContact CZ3-CD2 3.98Å; W625-F633 AromaticContact CZ3-CG 3.9Å; W625-F633 HydrophobicContact CZ3-CG 3.9Å; W625-W765 AromaticContact CH2-CH2 3.43Å; W625-W765 HydrophobicContact CH2-CH2 3.43Å; W625-W765 VanDerWaalsContact CH2-CH2 3.43Å; W625-W765 AromaticContact CH2-CZ2 3.76Å; W625-W765 HydrophobicContact CH2-CZ2 3.76Å; W625-W765 AromaticContact CZ2-CH2 3.73Å; W625-W765 HydrophobicContact CZ2-CH2 3.73Å; W625-W765 HydrophobicContact CZ2-CZ2 4.25Å
626	Q	95.6	Very high	96.9	Very high	85 Å²	85	58.1 Å²	58.1	40%	0.397	29%	0.292	S	S	.	.			trans	-68.7	141.8	164.9	-63.9	-63.9	-22.8	0	0	110.3	D481 T484 S628 S629 V630	D481-Q626 WeakPolarHBondContact OD2-CB 3.18Å; T484-Q626 PolarHBondContact OG1-N 2.83Å; Q626-S628 PolarHBondContact O-N 3.36Å; Q626-S628 VanDerWaalsContact O-N 3.1Å; Q626-S629 WeakPolarHBondContact O-CA 3.34Å; Q626-S629 WeakPolarHBondContact O-CB 3.03Å; Q626-S629 PolarHBondContact O-N 2.85Å; Q626-V630 PolarHBondContact O-N 2.84Å; Q626-V630 VanDerWaalsContact O-N 3.09Å
627	N	95.9	Very high	96.9	Very high	125 Å²	125	58.3 Å²	58.3	67%	0.668	29%	0.293	S	S	*	.	H	α-helix	trans	-54	-35.2	179.5	-72.3	-8.6	0	0	0	112.7	S629 V630 E631	N627-S629 VanDerWaalsContact C-N 3.32Å; N627-S629 PolarHBondContact O-N 3.24Å; N627-V630 PolarHBondContact O-N 2.96Å; N627-E631 WeakPolarHBondContact O-CG 3.27Å; N627-E631 PolarHBondContact O-N 3.01Å
628	S	96.4	Very high	96.9	Very high	81 Å²	81	58.2 Å²	58.2	57%	0.566	29%	0.294	S	S	*	.	H	α-helix	trans	-61.2	-39.3	175.7	51.4	0	0	0	0	112.8	Q626 A632	Q626-S628 PolarHBondContact O-N 3.36Å; Q626-S628 VanDerWaalsContact O-N 3.1Å; S628-A632 VanDerWaalsContact O-CB 3.28Å; S628-A632 WeakPolarHBondContact O-CB 3.19Å; S628-A632 PolarHBondContact O-N 3.38Å
629	S	97.3	Very high	96.9	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.007	28%	0.28	C	S	.	.	H	α-helix	trans	-73.4	-35.4	177.9	-71.1	0	0	0	0	111.5	D481 Q626 N627 A632 F633	D481-S629 PolarHBondContact N-OG 3.03Å; D481-S629 VanDerWaalsContact N-OG 3.12Å; D481-S629 PolarHBondContact OD2-OG 2.67Å; Q626-S629 WeakPolarHBondContact O-CA 3.34Å; Q626-S629 WeakPolarHBondContact O-CB 3.03Å; Q626-S629 PolarHBondContact O-N 2.85Å; N627-S629 VanDerWaalsContact C-N 3.32Å; N627-S629 PolarHBondContact O-N 3.24Å; S629-A632 PolarHBondContact O-N 3.33Å; S629-F633 WeakPolarHBondContact O-CB 3.43Å; S629-F633 PolarHBondContact O-N 2.04Å
630	V	96.6	Very high	96.9	Very high	17 Å²	17	55.3 Å²	55.3	10%	0.103	28%	0.28	C	S	.	.	H	α-helix	trans	-62.3	-47.5	173.1	176.3	0	0	0	0	111.2	W625 Q626 N627 F633 K634	W625-V630 HydrophobicContact CB-CG2 3.63Å; W625-V630 HydrophobicContact CE3-CG2 4.11Å; W625-V630 HydrophobicContact CG-CG2 4.39Å; Q626-V630 PolarHBondContact O-N 2.84Å; Q626-V630 VanDerWaalsContact O-N 3.09Å; N627-V630 PolarHBondContact O-N 2.96Å; V630-F633 WeakPolarHBondContact O-CB 3.47Å; V630-F633 PolarHBondContact O-N 3.11Å; V630-K634 HydrophobicContact CG1-CD 4.5Å; V630-K634 WeakPolarHBondContact O-CG 3.22Å; V630-K634 PolarHBondContact O-N 3.47Å
631	E	96.8	Very high	96.9	Very high	96 Å²	96	54.6 Å²	54.6	45%	0.449	28%	0.276	S	S	.	.	H	α-helix	trans	-68.4	-37.1	178.8	-66.4	-57.2	123.1	0	0	112	N627 F633 K634 N635	N627-E631 WeakPolarHBondContact O-CG 3.27Å; N627-E631 PolarHBondContact O-N 3.01Å; E631-F633 VanDerWaalsContact C-N 3.34Å; E631-F633 PolarHBondContact O-N 2.95Å; E631-K634 PolarHBondContact O-N 3.27Å; E631-K634 IonicContact OE1-NZ 3.09Å; E631-K634 PolarHBondContact OE1-NZ 3.35Å; E631-N635 VanDerWaalsContact O-CG 3.28Å; E631-N635 PolarHBondContact O-N 3.39Å; E631-N635 PolarHBondContact O-ND2 3.26Å; E631-N635 VanDerWaalsContact O-ND2 3.17Å
632	A	97.4	Very high	96.9	Very high	25 Å²	25	58.7 Å²	58.7	21%	0.207	30%	0.299	C	S	.	.	H	α-helix	trans	-63.5	-38.6	173.1	0	0	0	0	0	112.5	W479 S628 S629 R636	W479-A632 HydrophobicContact CB-CB 4.48Å; W479-A632 HydrophobicContact CE3-CB 3.89Å; W479-A632 WeakPolarHBondContact O-CB 2.98Å; S628-A632 VanDerWaalsContact O-CB 3.28Å; S628-A632 WeakPolarHBondContact O-CB 3.19Å; S628-A632 PolarHBondContact O-N 3.38Å; S629-A632 PolarHBondContact O-N 3.33Å; A632-R636 PolarHBondContact O-N 3.02Å
633	F	97.9	Very high	97	Very high	2 Å²	2	53.6 Å²	53.6	1%	0.009	28%	0.281	C	S	.	.	H	α-helix	trans	-62.7	-51.9	174.2	174.4	-91	0	0	0	111.5	W479 D610 W625 S629 V630 E631 N635 R636 T637 I664 V764 W765	W479-F633 HydrophobicContact CH2-CB 3.96Å; W479-F633 AromaticContact CH2-CD2 3.78Å; W479-F633 HydrophobicContact CH2-CD2 3.78Å; W479-F633 HydrophobicContact CH2-CG 4.37Å; W479-F633 HydrophobicContact CZ2-CD2 4.46Å; W479-F633 HydrophobicContact CZ3-CB 3.72Å; W479-F633 HydrophobicContact CZ3-CD2 4.43Å; D610-F633 HydrophobicContact CB-CE1 4.39Å; W625-F633 AromaticContact CH2-CD2 3.9Å; W625-F633 HydrophobicContact CH2-CD2 3.9Å; W625-F633 HydrophobicContact CH2-CE2 4.37Å; W625-F633 HydrophobicContact CH2-CG 4.25Å; W625-F633 HydrophobicContact CZ3-CB 3.74Å; W625-F633 AromaticContact CZ3-CD2 3.98Å; W625-F633 HydrophobicContact CZ3-CD2 3.98Å; W625-F633 AromaticContact CZ3-CG 3.9Å; W625-F633 HydrophobicContact CZ3-CG 3.9Å; S629-F633 WeakPolarHBondContact O-CB 3.43Å; S629-F633 PolarHBondContact O-N 2.04Å; V630-F633 WeakPolarHBondContact O-CB 3.47Å; V630-F633 PolarHBondContact O-N 3.11Å; E631-F633 VanDerWaalsContact C-N 3.34Å; E631-F633 PolarHBondContact O-N 2.95Å; F633-N635 VanDerWaalsContact C-N 3.28Å; F633-N635 PolarHBondContact O-N 3.38Å; F633-R636 WeakPolarHBondContact O-CA 3.36Å; F633-R636 WeakPolarHBondContact O-CB 3.49Å; F633-R636 PolarHBondContact O-N 2.75Å; F633-T637 HydrophobicContact CD1-CG2 3.97Å; F633-T637 HydrophobicContact CD2-CG2 4.31Å; F633-T637 HydrophobicContact CE1-CG2 3.56Å; F633-T637 HydrophobicContact CE2-CG2 3.95Å; F633-T637 HydrophobicContact CG-CG2 4.33Å; F633-T637 HydrophobicContact CZ-CG2 3.56Å; F633-T637 WeakPolarHBondContact O-CG2 3.43Å; F633-T637 PolarHBondContact O-N 3.28Å; F633-T637 PolarHBondContact O-OG1 3.07Å; F633-I664 HydrophobicContact CZ-CD1 4.16Å; F633-V764 HydrophobicContact CD2-CG1 3.71Å; F633-V764 HydrophobicContact CE2-CG1 3.51Å; F633-W765 AromaticContact CD2-CZ2 3.88Å; F633-W765 HydrophobicContact CD2-CZ2 3.88Å; F633-W765 AromaticContact CE2-CZ2 3.53Å; F633-W765 HydrophobicContact CE2-CZ2 3.53Å
634	K	96.3	Very high	97.2	Very high	87 Å²	87	49.8 Å²	49.8	38%	0.378	25%	0.254	S	S	.	.	H	α-helix	trans	-55	-43.4	178	-71.3	174.9	-173.4	164.3	0	112.3	V630 E631 R636 T637 E638	V630-K634 HydrophobicContact CG1-CD 4.5Å; V630-K634 WeakPolarHBondContact O-CG 3.22Å; V630-K634 PolarHBondContact O-N 3.47Å; E631-K634 PolarHBondContact O-N 3.27Å; E631-K634 IonicContact OE1-NZ 3.09Å; E631-K634 PolarHBondContact OE1-NZ 3.35Å; K634-R636 VanDerWaalsContact C-N 3.27Å; K634-R636 PolarHBondContact O-N 3.15Å; K634-T637 WeakPolarHBondContact CA-OG1 3.44Å; K634-T637 PolarHBondContact O-N 3.38Å; K634-T637 PolarHBondContact O-OG1 3.44Å; K634-E638 PolarHBondContact O-N 2.97Å; K634-E638 VanDerWaalsContact O-N 3.09Å
635	N	96.3	Very high	97.3	Very high	122 Å²	122	49.9 Å²	49.9	65%	0.652	26%	0.26	S	S	*	.	H	α-helix	trans	-62.5	-33.1	177.3	-73.9	-29.4	0	0	0	112.9	E631 F633	E631-N635 VanDerWaalsContact O-CG 3.28Å; E631-N635 PolarHBondContact O-N 3.39Å; E631-N635 PolarHBondContact O-ND2 3.26Å; E631-N635 VanDerWaalsContact O-ND2 3.17Å; F633-N635 VanDerWaalsContact C-N 3.28Å; F633-N635 PolarHBondContact O-N 3.38Å
636	R	96.7	Very high	97.3	Very high	88 Å²	88	55.8 Å²	55.8	33%	0.332	29%	0.288	S	S	.	.	H	α-helix	trans	-78.5	-39.4	177.2	-75.9	-177.3	164.9	-85.6	-0.3	112.5	A632 F633 K634 E638 C639 E763 V764	A632-R636 PolarHBondContact O-N 3.02Å; F633-R636 WeakPolarHBondContact O-CA 3.36Å; F633-R636 WeakPolarHBondContact O-CB 3.49Å; F633-R636 PolarHBondContact O-N 2.75Å; K634-R636 VanDerWaalsContact C-N 3.27Å; K634-R636 PolarHBondContact O-N 3.15Å; R636-E638 PolarHBondContact O-N 3.36Å; R636-C639 VanDerWaalsContact O-CB 3.25Å; R636-C639 WeakPolarHBondContact O-CB 2.97Å; R636-C639 PolarHBondContact O-N 3.3Å; R636-E763 WeakPolarHBondContact CD-O 3.32Å; R636-E763 PolarHBondContact NH1-O 3.08Å; R636-V764 HydrophobicContact CB-CG2 4.21Å
637	T	97.8	Very high	97.4	Very high	8 Å²	8	53.7 Å²	53.7	5%	0.049	28%	0.276	C	S	.	.	H	α-helix	trans	-66	-29.1	178.3	54.8	0	0	0	0	112.1	F633 K634 C639 M640 V641 I664 V764	F633-T637 HydrophobicContact CD1-CG2 3.97Å; F633-T637 HydrophobicContact CD2-CG2 4.31Å; F633-T637 HydrophobicContact CE1-CG2 3.56Å; F633-T637 HydrophobicContact CE2-CG2 3.95Å; F633-T637 HydrophobicContact CG-CG2 4.33Å; F633-T637 HydrophobicContact CZ-CG2 3.56Å; F633-T637 WeakPolarHBondContact O-CG2 3.43Å; F633-T637 PolarHBondContact O-N 3.28Å; F633-T637 PolarHBondContact O-OG1 3.07Å; K634-T637 WeakPolarHBondContact CA-OG1 3.44Å; K634-T637 PolarHBondContact O-N 3.38Å; K634-T637 PolarHBondContact O-OG1 3.44Å; T637-C639 PolarHBondContact O-N 3.5Å; T637-M640 PolarHBondContact O-N 3.26Å; T637-V641 PolarHBondContact O-N 2.82Å; T637-V641 VanDerWaalsContact O-N 3.1Å; T637-I664 HydrophobicContact CG2-CD1 3.53Å; T637-I664 HydrophobicContact CG2-CG1 4.27Å; T637-V764 HydrophobicContact CG2-CG1 4.47Å; T637-V764 HydrophobicContact CG2-CG2 4.09Å
638	E	98	Very high	97.5	Very high	92 Å²	92	50.3 Å²	50.3	43%	0.43	26%	0.261	S	S	.	.	H	α-helix	trans	-57.9	-33.1	174.6	-163.9	65.2	-168.6	0	0	112.3	K634 R636 M640 V641 D642	K634-E638 PolarHBondContact O-N 2.97Å; K634-E638 VanDerWaalsContact O-N 3.09Å; R636-E638 PolarHBondContact O-N 3.36Å; E638-M640 VanDerWaalsContact C-N 3.28Å; E638-M640 PolarHBondContact O-N 3.31Å; E638-V641 WeakPolarHBondContact O-CB 3.46Å; E638-V641 PolarHBondContact O-N 2.9Å; E638-D642 PolarHBondContact O-N 3.15Å
639	C	98.1	Very high	97.5	Very high	25 Å²	25	48 Å²	48	17%	0.169	24%	0.242	C	C	.	.	H	α-helix	trans	-56.7	-43.3	173.2	-174.8	0	0	0	0	111.8	R636 T637 D642 Q643 H760 C762	R636-C639 VanDerWaalsContact O-CB 3.25Å; R636-C639 WeakPolarHBondContact O-CB 2.97Å; R636-C639 PolarHBondContact O-N 3.3Å; T637-C639 PolarHBondContact O-N 3.5Å; C639-D642 PolarHBondContact O-N 3.33Å; C639-Q643 VanDerWaalsContact O-CB 3.26Å; C639-Q643 WeakPolarHBondContact O-CB 3.44Å; C639-Q643 PolarHBondContact O-N 3.4Å; C639-H760 PolarHBondContact SG-NE2 3.29Å; C639-C762 HydrophobicContact CB-CB 3.78Å; C639-C762 WeakPolarHBondContact CB-SG 3.43Å; C639-C762 PolarHBondContact O-SG 3.28Å; C639-C762 WeakPolarHBondContact SG-CA 3.11Å; C639-C762 WeakPolarHBondContact SG-CB 3.3Å; C639-C762 CovalentContact SG-SG 2.05Å; C639-C762 PolarHBondContact SG-SG 2.96Å
640	M	98.1	Very high	97.3	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-72.5	-36.4	179.2	-68.2	-178	176.2	0	0	111.4	T637 E638 D642 Q643 Y644 L660 I664 N667 C762 V764	T637-M640 PolarHBondContact O-N 3.26Å; E638-M640 VanDerWaalsContact C-N 3.28Å; E638-M640 PolarHBondContact O-N 3.31Å; M640-D642 VanDerWaalsContact C-N 3.35Å; M640-D642 PolarHBondContact O-N 2.94Å; M640-Q643 PolarHBondContact O-N 3.1Å; M640-Y644 WeakPolarHBondContact O-CB 3.32Å; M640-Y644 VanDerWaalsContact O-CD2 3.29Å; M640-Y644 WeakPolarHBondContact O-CD2 3.24Å; M640-Y644 PolarHBondContact O-N 3.29Å; M640-L660 HydrophobicContact CB-CD1 3.98Å; M640-I664 HydrophobicContact SD-CB 4.46Å; M640-I664 HydrophobicContact SD-CG1 3.78Å; M640-N667 HydrophobicContact CE-CB 3.62Å; M640-C762 HydrophobicContact CE-CB 4.18Å; M640-C762 HydrophobicContact CG-CB 3.64Å; M640-V764 HydrophobicContact CE-CG2 3.95Å; M640-V764 HydrophobicContact SD-CG2 4.17Å
641	V	98.2	Very high	97.2	Very high	7 Å²	7	55.3 Å²	55.3	4%	0.042	30%	0.295	C	S	.	.	H	α-helix	trans	-57.1	-51.3	172	175.8	0	0	0	0	110	T637 E638 T645 K657 L660	T637-V641 PolarHBondContact O-N 2.82Å; T637-V641 VanDerWaalsContact O-N 3.1Å; E638-V641 WeakPolarHBondContact O-CB 3.46Å; E638-V641 PolarHBondContact O-N 2.9Å; V641-T645 VanDerWaalsContact O-CB 3.29Å; V641-T645 WeakPolarHBondContact O-CB 3.49Å; V641-T645 PolarHBondContact O-N 3.19Å; V641-T645 PolarHBondContact O-OG1 3.47Å; V641-K657 HydrophobicContact CG1-CG 3.7Å; V641-K657 HydrophobicContact CG2-CG 4.47Å; V641-L660 HydrophobicContact CG2-CD1 3.83Å; V641-L660 HydrophobicContact CG2-CD2 3.87Å; V641-L660 HydrophobicContact CG2-CG 4.29Å
642	D	98.1	Very high	97.1	Very high	95 Å²	95	54 Å²	54	51%	0.508	29%	0.289	S	S	.	.	H	α-helix	trans	-61.3	-48.8	178.8	-78.4	-21.7	0	0	0	111.3	E638 C639 M640 Y644 T645 Q646	E638-D642 PolarHBondContact O-N 3.15Å; C639-D642 PolarHBondContact O-N 3.33Å; M640-D642 VanDerWaalsContact C-N 3.35Å; M640-D642 PolarHBondContact O-N 2.94Å; D642-Y644 PolarHBondContact O-N 2.77Å; D642-T645 PolarHBondContact O-N 3.49Å; D642-Q646 WeakPolarHBondContact O-CG 3.06Å; D642-Q646 PolarHBondContact O-N 3.21Å
643	Q	98.1	Very high	97.1	Very high	29 Å²	29	58.3 Å²	58.3	14%	0.136	31%	0.305	C	S	.	.	H	α-helix	trans	-55.5	-54.4	-179.9	178.9	-174	12.2	0	0	111.5	C639 M640 T645 Q646 Y647 G736 N740	C639-Q643 VanDerWaalsContact O-CB 3.26Å; C639-Q643 WeakPolarHBondContact O-CB 3.44Å; C639-Q643 PolarHBondContact O-N 3.4Å; M640-Q643 PolarHBondContact O-N 3.1Å; Q643-T645 PolarHBondContact O-N 3.17Å; Q643-Q646 PolarHBondContact O-N 3.37Å; Q643-Y647 HydrophobicContact CG-CE2 4.14Å; Q643-Y647 PolarHBondContact NE2-OH 3.4Å; Q643-G736 PolarHBondContact NE2-O 3Å; Q643-G736 VanDerWaalsContact NE2-O 3.16Å; Q643-N740 PolarHBondContact NE2-ND2 2.8Å; Q643-N740 PolarHBondContact OE1-ND2 2.9Å
644	Y	98.4	Very high	97	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-74.5	-28.5	-172.5	-79.4	-101.9	0	0	0	112.1	M640 D642 Q646 Y647 N663 N667 S728 T737	M640-Y644 WeakPolarHBondContact O-CB 3.32Å; M640-Y644 VanDerWaalsContact O-CD2 3.29Å; M640-Y644 WeakPolarHBondContact O-CD2 3.24Å; M640-Y644 PolarHBondContact O-N 3.29Å; D642-Y644 PolarHBondContact O-N 2.77Å; Y644-Q646 PolarHBondContact O-N 3.14Å; Y644-Y647 AromaticContact CD1-CD2 3.96Å; Y644-Y647 HydrophobicContact CD1-CD2 3.96Å; Y644-Y647 HydrophobicContact CD1-CE2 4.06Å; Y644-Y647 HydrophobicContact CE1-CE2 4.36Å; Y644-Y647 HydrophobicContact CG-CD2 4.21Å; Y644-Y647 HydrophobicContact CG-CE2 4.19Å; Y644-Y647 WeakPolarHBondContact O-CB 3.29Å; Y644-Y647 PolarHBondContact O-N 3.48Å; Y644-Y647 VanDerWaalsContact O-N 3.13Å; Y644-N663 WeakPolarHBondContact CD1-ND2 3.33Å; Y644-N663 WeakPolarHBondContact CD1-OD1 3.41Å; Y644-N663 HydrophobicContact CD2-CB 4.19Å; Y644-N663 HydrophobicContact CE1-CB 4.25Å; Y644-N663 VanDerWaalsContact CE1-CG 3.48Å; Y644-N663 WeakPolarHBondContact CE1-OD1 3.2Å; Y644-N663 HydrophobicContact CE2-CB 3.83Å; Y644-N663 VanDerWaalsContact CG-ND2 3.26Å; Y644-N667 PolarHBondContact OH-ND2 3.36Å; Y644-S728 WeakPolarHBondContact CD1-OG 3.21Å; Y644-S728 WeakPolarHBondContact CE1-OG 3.31Å; Y644-T737 PolarHBondContact OH-N 3.48Å
645	T	98	Very high	97	Very high	48 Å²	48	56.4 Å²	56.4	29%	0.294	30%	0.299	S	S	.	.	H	α-helix	trans	-63.7	-26.6	173.7	-57.9	0	0	0	0	112.8	V641 D642 Q643 Y647 H653 I654 G656	V641-T645 VanDerWaalsContact O-CB 3.29Å; V641-T645 WeakPolarHBondContact O-CB 3.49Å; V641-T645 PolarHBondContact O-N 3.19Å; V641-T645 PolarHBondContact O-OG1 3.47Å; D642-T645 PolarHBondContact O-N 3.49Å; Q643-T645 PolarHBondContact O-N 3.17Å; T645-Y647 VanDerWaalsContact C-N 3.27Å; T645-Y647 PolarHBondContact O-N 3.43Å; T645-H653 PolarHBondContact O-ND1 2.89Å; T645-I654 WeakPolarHBondContact CA-O 3.33Å; T645-G656 WeakPolarHBondContact OG1-CA 3.1Å; T645-G656 PolarHBondContact OG1-N 2.99Å
646	Q	97.4	Very high	97.1	Very high	137 Å²	137	50.6 Å²	50.6	64%	0.64	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-18.1	176.6	-63.2	-53.6	-47.9	0	0	113.6	D642 Q643 Y644	D642-Q646 WeakPolarHBondContact O-CG 3.06Å; D642-Q646 PolarHBondContact O-N 3.21Å; Q643-Q646 PolarHBondContact O-N 3.37Å; Y644-Q646 PolarHBondContact O-N 3.14Å
647	Y	98	Very high	97.1	Very high	41 Å²	41	52.2 Å²	52.2	16%	0.161	28%	0.277	C	S	.	.			trans	-79.2	143.6	-179.6	-63.4	-38.6	0	0	0	111.6	Q643 Y644 T645 H653 I654 Y732 I735	Q643-Y647 HydrophobicContact CG-CE2 4.14Å; Q643-Y647 PolarHBondContact NE2-OH 3.4Å; Y644-Y647 AromaticContact CD1-CD2 3.96Å; Y644-Y647 HydrophobicContact CD1-CD2 3.96Å; Y644-Y647 HydrophobicContact CD1-CE2 4.06Å; Y644-Y647 HydrophobicContact CE1-CE2 4.36Å; Y644-Y647 HydrophobicContact CG-CD2 4.21Å; Y644-Y647 HydrophobicContact CG-CE2 4.19Å; Y644-Y647 WeakPolarHBondContact O-CB 3.29Å; Y644-Y647 PolarHBondContact O-N 3.48Å; Y644-Y647 VanDerWaalsContact O-N 3.13Å; T645-Y647 VanDerWaalsContact C-N 3.27Å; T645-Y647 PolarHBondContact O-N 3.43Å; Y647-H653 WeakPolarHBondContact O-CA 3.45Å; Y647-I654 PolarHBondContact O-N 3.03Å; Y647-Y732 AromaticContact CD1-CD1 3.68Å; Y647-Y732 HydrophobicContact CD1-CD1 3.68Å; Y647-Y732 AromaticContact CD1-CE1 3.54Å; Y647-Y732 HydrophobicContact CD1-CE1 3.54Å; Y647-Y732 AromaticContact CD2-CD1 3.58Å; Y647-Y732 HydrophobicContact CD2-CD1 3.58Å; Y647-Y732 HydrophobicContact CD2-CE1 4.24Å; Y647-Y732 AromaticContact CD2-CG 3.9Å; Y647-Y732 HydrophobicContact CD2-CG 3.9Å; Y647-Y732 HydrophobicContact CE1-CD1 4.17Å; Y647-Y732 HydrophobicContact CE1-CE1 4.25Å; Y647-Y732 HydrophobicContact CE2-CD1 4.09Å; Y647-Y732 AromaticContact CG-CD1 3.37Å; Y647-Y732 HydrophobicContact CG-CD1 3.37Å; Y647-Y732 AromaticContact CG-CE1 3.55Å; Y647-Y732 HydrophobicContact CG-CE1 3.55Å; Y647-Y732 AromaticContact CG-CG 3.93Å; Y647-Y732 HydrophobicContact CG-CG 3.93Å; Y647-I735 HydrophobicContact CE1-CG2 4.46Å
648	T	97.6	Very high	97	Very high	55 Å²	55	52.4 Å²	52.4	34%	0.337	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	143.2	180	64.4	0	0	0	0	112.6	E652 Y732	T648-E652 CarbonylContact C-O 3.57Å; T648-E652 WeakPolarHBondContact CA-O 3.32Å; T648-E652 WeakPolarHBondContact CB-O 3.32Å; T648-Y732 WeakPolarHBondContact O-CE2 3.35Å; T648-Y732 PolarHBondContact O-OH 3.21Å
649	I	95.4	Very high	97	Very high	32 Å²	32	48.3 Å²	48.3	16%	0.164	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	127.7	163.8	-65.9	-66.1	0	0	0	107.9	G651 E652 A718 L722 P729 Y732	I649-G651 PolarHBondContact O-N 3.23Å; I649-E652 PolarHBondContact N-O 2.92Å; I649-E652 PolarHBondContact O-N 3.4Å; I649-A718 HydrophobicContact CG2-CB 3.79Å; I649-L722 HydrophobicContact CB-CD1 4.38Å; I649-P729 HydrophobicContact CG1-CB 4.21Å; I649-P729 HydrophobicContact CG1-CG 3.99Å; I649-Y732 HydrophobicContact CD1-CD2 4.03Å; I649-Y732 HydrophobicContact CD1-CE2 3.42Å; I649-Y732 VanDerWaalsContact CD1-CE2 3.42Å; I649-Y732 HydrophobicContact CG1-CD2 4.22Å; I649-Y732 HydrophobicContact CG1-CE2 3.74Å
650	N	93.7	Very high	97	Very high	108 Å²	108	47.9 Å²	47.9	58%	0.578	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	28.7	179.9	-57	-25.6	0	0	0	114.5
651	G	94.3	Very high	97	Very high	64 Å²	64	47.8 Å²	47.8	66%	0.66	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.7	-0.1	-178.5	0	0	0	0	0	115	I649	I649-G651 PolarHBondContact O-N 3.23Å
652	E	94.9	Very high	97	Very high	69 Å²	69	48.7 Å²	48.7	32%	0.322	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	136.5	177.6	-61	-176.8	-101.7	0	0	110.7	T648 I649 H719 L722	T648-E652 CarbonylContact C-O 3.57Å; T648-E652 WeakPolarHBondContact CA-O 3.32Å; T648-E652 WeakPolarHBondContact CB-O 3.32Å; I649-E652 PolarHBondContact N-O 2.92Å; I649-E652 PolarHBondContact O-N 3.4Å; E652-H719 IonicContact OE1-CE1 3.35Å; E652-H719 IonicContact OE1-CG 3.25Å; E652-H719 IonicContact OE1-ND1 2.67Å; E652-H719 PolarHBondContact OE1-ND1 3.34Å; E652-H719 IonicContact OE2-CE1 3.43Å; E652-H719 PolarHBondContact OE2-CE1 3.15Å; E652-H719 IonicContact OE2-ND1 3.11Å; E652-H719 PolarHBondContact OE2-ND1 3.45Å; E652-L722 HydrophobicContact CB-CD1 3.64Å
653	H	96.8	Very high	97	Very high	114 Å²	114	44.1 Å²	44.1	53%	0.528	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	144.6	179.6	-74.4	-88.2	0	0	0	111.5	T645 Y647	T645-H653 PolarHBondContact O-ND1 2.89Å; Y647-H653 WeakPolarHBondContact O-CA 3.45Å
654	I	97.5	Very high	97.1	Very high	3 Å²	3	42.8 Å²	42.8	2%	0.015	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-70.7	140	167.3	-61.3	174	0	0	0	109	T645 Y647 G656 T659 L722 P729 Y732	T645-I654 WeakPolarHBondContact CA-O 3.33Å; Y647-I654 PolarHBondContact O-N 3.03Å; I654-G656 PolarHBondContact O-N 2.98Å; I654-T659 HydrophobicContact CG2-CG2 3.88Å; I654-L722 HydrophobicContact CB-CD2 4.39Å; I654-L722 HydrophobicContact CG1-CD2 3.74Å; I654-P729 VanDerWaalsContact CD1-CD 3.47Å; I654-P729 HydrophobicContact CD1-CG 4.04Å; I654-P729 HydrophobicContact CG1-CG 4.33Å; I654-Y732 HydrophobicContact CD1-CD2 3.53Å; I654-Y732 HydrophobicContact CD1-CE2 4.19Å; I654-Y732 HydrophobicContact CD1-CG 3.96Å
655	N	96	Very high	97.1	Very high	47 Å²	47	42.8 Å²	42.8	25%	0.251	23%	0.227	S	C	.	.			trans	-77.9	98.9	169	-174.2	-17.4	0	0	0	109.8	D317 K657 Q658 T659	D317-N655 PolarHBondContact OD2-ND2 2.81Å; D317-N655 VanDerWaalsContact OD2-ND2 3.15Å; N655-K657 PolarHBondContact O-N 3.49Å; N655-K657 WeakPolarHBondContact OD1-CB 3.43Å; N655-K657 PolarHBondContact OD1-N 3.08Å; N655-Q658 HydrophobicContact CB-CB 3.84Å; N655-Q658 PolarHBondContact O-N 3.15Å; N655-Q658 PolarHBondContact OD1-N 2.81Å; N655-Q658 VanDerWaalsContact OD1-N 3.12Å; N655-T659 PolarHBondContact O-N 3.49Å; N655-T659 PolarHBondContact O-OG1 3.01Å
656	G	97.5	Very high	97.1	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-22	-179.9	0	0	0	0	0	114.4	T645 I654 L660	T645-G656 WeakPolarHBondContact OG1-CA 3.1Å; T645-G656 PolarHBondContact OG1-N 2.99Å; I654-G656 PolarHBondContact O-N 2.98Å; G656-L660 PolarHBondContact O-N 2.82Å
657	K	96.8	Very high	97.2	Very high	122 Å²	122	35 Å²	35	53%	0.53	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-46.9	175	-65.3	-177.3	178.4	179.8	0	111.6	D317 R320 V641 N655 T659 L660	D317-K657 HydrophobicContact CB-CB 4.25Å; R320-K657 WeakPolarHBondContact CD-O 3.44Å; V641-K657 HydrophobicContact CG1-CG 3.7Å; V641-K657 HydrophobicContact CG2-CG 4.47Å; N655-K657 PolarHBondContact O-N 3.49Å; N655-K657 WeakPolarHBondContact OD1-CB 3.43Å; N655-K657 PolarHBondContact OD1-N 3.08Å; K657-T659 PolarHBondContact O-N 2.89Å; K657-L660 WeakPolarHBondContact O-CB 3.42Å; K657-L660 PolarHBondContact O-N 3.19Å
658	Q	96	Very high	97.2	Very high	12 Å²	12	33.2 Å²	33.2	6%	0.056	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-40.4	176.5	176.7	174.1	-33.7	0	0	111.5	D317 R320 N655 L660 D725	D317-Q658 HydrophobicContact CB-CB 4.31Å; R320-Q658 PolarHBondContact NH1-O 2.8Å; N655-Q658 HydrophobicContact CB-CB 3.84Å; N655-Q658 PolarHBondContact O-N 3.15Å; N655-Q658 PolarHBondContact OD1-N 2.81Å; N655-Q658 VanDerWaalsContact OD1-N 3.12Å; Q658-L660 VanDerWaalsContact C-N 3.33Å; Q658-D725 PolarHBondContact NE2-O 3.08Å
659	T	98.1	Very high	97.3	Very high	5 Å²	5	30.6 Å²	30.6	3%	0.031	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	2.3	-175.6	58.2	0	0	0	0	115.1	I654 N655 K657 G661 E662 N663 P726	I654-T659 HydrophobicContact CG2-CG2 3.88Å; N655-T659 PolarHBondContact O-N 3.49Å; N655-T659 PolarHBondContact O-OG1 3.01Å; K657-T659 PolarHBondContact O-N 2.89Å; T659-G661 PolarHBondContact O-N 2.87Å; T659-E662 PolarHBondContact O-N 2.64Å; T659-N663 WeakPolarHBondContact CB-ND2 3.47Å; T659-N663 WeakPolarHBondContact O-CB 3.33Å; T659-N663 PolarHBondContact O-N 3.46Å; T659-N663 PolarHBondContact O-ND2 3.19Å; T659-N663 PolarHBondContact O-OD1 3.42Å; T659-N663 PolarHBondContact OG1-ND2 3.03Å; T659-P726 WeakPolarHBondContact CA-O 3.29Å; T659-P726 WeakPolarHBondContact CB-O 3.43Å; T659-P726 WeakPolarHBondContact CG2-O 3.28Å
660	L	98.2	Very high	97.4	Very high	16 Å²	16	29.3 Å²	29.3	8%	0.084	16%	0.16	C	C	.	.	H	α-helix	trans	-59.9	-49.4	-167.2	-178.3	57.1	0	0	0	113.5	D610 M640 V641 G656 K657 Q658 E662 N663 I664	D610-L660 HydrophobicContact CB-CD2 4.28Å; M640-L660 HydrophobicContact CB-CD1 3.98Å; V641-L660 HydrophobicContact CG2-CD1 3.83Å; V641-L660 HydrophobicContact CG2-CD2 3.87Å; V641-L660 HydrophobicContact CG2-CG 4.29Å; G656-L660 PolarHBondContact O-N 2.82Å; K657-L660 WeakPolarHBondContact O-CB 3.42Å; K657-L660 PolarHBondContact O-N 3.19Å; Q658-L660 VanDerWaalsContact C-N 3.33Å; L660-E662 PolarHBondContact O-N 3.21Å; L660-N663 PolarHBondContact O-N 3.37Å; L660-I664 HydrophobicContact CD1-CD1 3.89Å; L660-I664 HydrophobicContact CD1-CG1 4.05Å; L660-I664 HydrophobicContact CG-CD1 3.78Å; L660-I664 HydrophobicContact CG-CG1 4.4Å; L660-I664 VanDerWaalsContact O-CG1 3.29Å; L660-I664 WeakPolarHBondContact O-CG1 3.49Å; L660-I664 PolarHBondContact O-N 3.19Å
661	G	97.9	Very high	97.7	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-59.9	-46	-177.4	0	0	0	0	0	112.5	D610 T659 N663 I664 A665	D610-G661 WeakPolarHBondContact OD1-CA 3.43Å; D610-G661 PolarHBondContact OD1-N 3.19Å; T659-G661 PolarHBondContact O-N 2.87Å; G661-N663 PolarHBondContact O-N 2.87Å; G661-I664 PolarHBondContact O-N 3.42Å; G661-A665 WeakPolarHBondContact O-CB 3.37Å; G661-A665 PolarHBondContact O-N 3.29Å
662	E	98.6	Very high	97.8	Very high	25 Å²	25	23.3 Å²	23.3	12%	0.117	11%	0.111	C	C	.	.	H	α-helix	trans	-63.6	-39.7	176.6	-62.2	-57	150.8	0	0	112.5	H602 H606 T659 L660 A665 D666 P726 H727	H602-E662 IonicContact CE1-OE2 3.91Å; H602-E662 PolarHBondContact CE1-OE2 3.05Å; H602-E662 VanDerWaalsContact CE1-OE2 3.22Å; H602-E662 IonicContact NE2-OE2 2.83Å; H602-E662 PolarHBondContact NE2-OE2 3.47Å; H602-E662 VanDerWaalsContact NE2-OE2 3.15Å; H606-E662 VanDerWaalsContact CE1-CD 3.5Å; H606-E662 IonicContact CE1-OE1 2.81Å; H606-E662 PolarHBondContact CE1-OE1 3.15Å; H606-E662 VanDerWaalsContact CE1-OE1 3.27Å; H606-E662 IonicContact CE1-OE2 2.63Å; H606-E662 PolarHBondContact CE1-OE2 3.06Å; H606-E662 IonicContact NE2-OE1 2.79Å; H606-E662 IonicContact NE2-OE2 3.79Å; H606-E662 PolarHBondContact NE2-OE2 2.8Å; T659-E662 PolarHBondContact O-N 2.64Å; L660-E662 PolarHBondContact O-N 3.21Å; E662-A665 PolarHBondContact O-N 3.07Å; E662-D666 WeakPolarHBondContact O-CB 3.3Å; E662-D666 PolarHBondContact O-N 3.3Å; E662-P726 HydrophobicContact CG-CB 4.16Å; E662-P726 WeakPolarHBondContact CG-O 3.45Å; E662-H727 HydrophobicContact CG-CB 4.46Å; E662-H727 VanDerWaalsContact CG-CD2 3.49Å; E662-H727 WeakPolarHBondContact CG-CD2 3.44Å; E662-H727 IonicContact OE1-CD2 2.97Å; E662-H727 IonicContact OE1-NE2 3.6Å; E662-H727 IonicContact OE2-CD2 3.37Å; E662-H727 PolarHBondContact OE2-CD2 3.27Å; E662-H727 IonicContact OE2-NE2 2.57Å; E662-H727 PolarHBondContact OE2-NE2 3.16Å
663	N	98.8	Very high	98	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-67.9	-40.1	177.3	-62.5	-27.3	0	0	0	111.2	Y644 T659 L660 G661 A665 D666 N667 S728	Y644-N663 WeakPolarHBondContact CD1-ND2 3.33Å; Y644-N663 WeakPolarHBondContact CD1-OD1 3.41Å; Y644-N663 HydrophobicContact CD2-CB 4.19Å; Y644-N663 HydrophobicContact CE1-CB 4.25Å; Y644-N663 VanDerWaalsContact CE1-CG 3.48Å; Y644-N663 WeakPolarHBondContact CE1-OD1 3.2Å; Y644-N663 HydrophobicContact CE2-CB 3.83Å; Y644-N663 VanDerWaalsContact CG-ND2 3.26Å; T659-N663 WeakPolarHBondContact CB-ND2 3.47Å; T659-N663 WeakPolarHBondContact O-CB 3.33Å; T659-N663 PolarHBondContact O-N 3.46Å; T659-N663 PolarHBondContact O-ND2 3.19Å; T659-N663 PolarHBondContact O-OD1 3.42Å; T659-N663 PolarHBondContact OG1-ND2 3.03Å; L660-N663 PolarHBondContact O-N 3.37Å; G661-N663 PolarHBondContact O-N 2.87Å; N663-A665 VanDerWaalsContact C-N 3.32Å; N663-D666 PolarHBondContact O-N 2.72Å; N663-N667 PolarHBondContact O-N 3.39Å; N663-N667 VanDerWaalsContact O-N 3.13Å; N663-N667 PolarHBondContact O-ND2 2.81Å; N663-S728 WeakPolarHBondContact OD1-CB 3.43Å; N663-S728 PolarHBondContact OD1-OG 3.36Å
664	I	98.8	Very high	98.1	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.005	7%	0.073	C	C	.	.	H	α-helix	trans	-60.3	-46.7	173.3	-68.5	164.4	0	0	0	109.6	T605 D609 D610 F633 T637 M640 L660 G661 N667 G668 W765	T605-I664 HydrophobicContact CG2-CG2 4.12Å; D609-I664 HydrophobicContact CB-CB 4.3Å; D609-I664 HydrophobicContact CB-CD1 4.46Å; D609-I664 HydrophobicContact CB-CG2 4.14Å; D610-I664 HydrophobicContact CB-CD1 4.49Å; F633-I664 HydrophobicContact CZ-CD1 4.16Å; T637-I664 HydrophobicContact CG2-CD1 3.53Å; T637-I664 HydrophobicContact CG2-CG1 4.27Å; M640-I664 HydrophobicContact SD-CB 4.46Å; M640-I664 HydrophobicContact SD-CG1 3.78Å; L660-I664 HydrophobicContact CD1-CD1 3.89Å; L660-I664 HydrophobicContact CD1-CG1 4.05Å; L660-I664 HydrophobicContact CG-CD1 3.78Å; L660-I664 HydrophobicContact CG-CG1 4.4Å; L660-I664 VanDerWaalsContact O-CG1 3.29Å; L660-I664 WeakPolarHBondContact O-CG1 3.49Å; L660-I664 PolarHBondContact O-N 3.19Å; G661-I664 PolarHBondContact O-N 3.42Å; I664-N667 PolarHBondContact O-N 3.29Å; I664-G668 PolarHBondContact O-N 3.39Å; I664-W765 VanDerWaalsContact CG2-CD1 3.45Å
665	A	98.8	Very high	98.2	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-64.2	-41.1	-179.4	0	0	0	0	0	112.7	H602 T605 G661 E662 N663 G669	H602-A665 WeakPolarHBondContact CA-O 3.46Å; H602-A665 WeakPolarHBondContact CE1-CB 3.5Å; H602-A665 VanDerWaalsContact ND1-CB 3.3Å; H602-A665 WeakPolarHBondContact ND1-CB 3.36Å; T605-A665 HydrophobicContact CG2-CB 4.49Å; G661-A665 WeakPolarHBondContact O-CB 3.37Å; G661-A665 PolarHBondContact O-N 3.29Å; E662-A665 PolarHBondContact O-N 3.07Å; N663-A665 VanDerWaalsContact C-N 3.32Å; A665-G669 WeakPolarHBondContact O-CA 3.44Å; A665-G669 PolarHBondContact O-N 3.1Å
666	D	98.9	Very high	98.3	Very high	2 Å²	2	16.4 Å²	16.4	1%	0.011	8%	0.077	C	C	.	.	H	α-helix	trans	-59.1	-47.7	173.2	-83.6	-15.2	0	0	0	112.7	H602 E662 N663 L670 R733 T737	H602-D666 IonicContact CE1-OD1 3.77Å; H602-D666 PolarHBondContact CE1-OD1 2.99Å; H602-D666 PolarHBondContact ND1-N 3.39Å; H602-D666 IonicContact ND1-OD1 3.77Å; H602-D666 PolarHBondContact ND1-OD1 2.95Å; H602-D666 VanDerWaalsContact ND1-OD1 3.11Å; E662-D666 WeakPolarHBondContact O-CB 3.3Å; E662-D666 PolarHBondContact O-N 3.3Å; N663-D666 PolarHBondContact O-N 2.72Å; D666-L670 WeakPolarHBondContact O-CB 3.45Å; D666-L670 PolarHBondContact O-N 3.01Å; D666-R733 IonicContact OD1-CZ 2.64Å; D666-R733 IonicContact OD1-NE 3.59Å; D666-R733 PolarHBondContact OD1-NE 3.43Å; D666-R733 IonicContact OD1-NH2 3.21Å; D666-R733 PolarHBondContact OD1-NH2 3.05Å; D666-R733 WeakPolarHBondContact OD2-CB 3.38Å; D666-R733 VanDerWaalsContact OD2-CG 3.29Å; D666-R733 WeakPolarHBondContact OD2-CG 3.46Å; D666-R733 IonicContact OD2-CZ 4Å; D666-R733 IonicContact OD2-NE 2.63Å; D666-R733 PolarHBondContact OD2-NE 3.05Å; D666-R733 IonicContact OD2-NH2 3.95Å; D666-T737 HydrophobicContact CB-CG2 4.43Å; D666-T737 WeakPolarHBondContact CB-OG1 3.36Å; D666-T737 WeakPolarHBondContact O-CG2 3.27Å
667	N	98.8	Very high	98.3	Very high	19 Å²	19	16.4 Å²	16.4	10%	0.102	8%	0.077	C	C	.	.	H	α-helix	trans	-68.9	-47.9	-176.5	-78.4	-98.6	0	0	0	111.6	M640 Y644 N663 I664 K671 N740	M640-N667 HydrophobicContact CE-CB 3.62Å; Y644-N667 PolarHBondContact OH-ND2 3.36Å; N663-N667 PolarHBondContact O-N 3.39Å; N663-N667 VanDerWaalsContact O-N 3.13Å; N663-N667 PolarHBondContact O-ND2 2.81Å; I664-N667 PolarHBondContact O-N 3.29Å; N667-K671 WeakPolarHBondContact O-CB 3.39Å; N667-K671 PolarHBondContact O-N 2.96Å; N667-N740 VanDerWaalsContact OD1-CB 3.26Å; N667-N740 WeakPolarHBondContact OD1-CB 3.34Å; N667-N740 PolarHBondContact OD1-ND2 3.09Å
668	G	98.4	Very high	98.4	Very high	4 Å²	4	14.6 Å²	14.6	4%	0.041	7%	0.067	C	C	.	.	H	α-helix	trans	-65.9	-39.5	176.2	0	0	0	0	0	112.4	I664 K671 A672	I664-G668 PolarHBondContact O-N 3.39Å; G668-K671 PolarHBondContact O-N 3.21Å; G668-A672 WeakPolarHBondContact O-CB 3.3Å; G668-A672 PolarHBondContact O-N 3.07Å
669	G	98.6	Very high	98.5	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-65.9	-45	-179.6	0	0	0	0	0	113.6	G601 T605 A665 K671 A673	G601-G669 WeakPolarHBondContact O-CA 3.47Å; T605-G669 PolarHBondContact OG1-N 3.29Å; A665-G669 WeakPolarHBondContact O-CA 3.44Å; A665-G669 PolarHBondContact O-N 3.1Å; G669-K671 PolarHBondContact O-N 3.23Å; G669-A673 VanDerWaalsContact O-CB 3.25Å; G669-A673 WeakPolarHBondContact O-CB 3.48Å; G669-A673 PolarHBondContact O-N 3.33Å
670	L	98.8	Very high	98.5	Very high	4 Å²	4	19 Å²	19	2%	0.021	9%	0.092	C	C	.	.	H	α-helix	trans	-60	-47.1	174.6	-177.2	77.6	0	0	0	111.1	V598 D666 A673 Y674 F701 F702 F705 T737 L738	V598-L670 HydrophobicContact CG1-CB 4.36Å; V598-L670 HydrophobicContact CG1-CD1 4.44Å; V598-L670 HydrophobicContact CG2-CD1 3.79Å; D666-L670 WeakPolarHBondContact O-CB 3.45Å; D666-L670 PolarHBondContact O-N 3.01Å; L670-A673 PolarHBondContact O-N 3.4Å; L670-Y674 WeakPolarHBondContact O-CB 3.38Å; L670-Y674 PolarHBondContact O-N 3.49Å; L670-F701 HydrophobicContact CD1-CE1 3.61Å; L670-F701 HydrophobicContact CD1-CZ 3.98Å; L670-F701 HydrophobicContact CG-CE1 4.33Å; L670-F702 HydrophobicContact CD2-CE1 4.47Å; L670-F705 HydrophobicContact CD1-CB 4.05Å; L670-F705 HydrophobicContact CD1-CD1 3.92Å; L670-F705 HydrophobicContact CD1-CD2 3.78Å; L670-F705 HydrophobicContact CD1-CE1 4.32Å; L670-F705 HydrophobicContact CD1-CE2 4.17Å; L670-F705 HydrophobicContact CD1-CG 3.62Å; L670-F705 HydrophobicContact CD1-CZ 4.43Å; L670-T737 HydrophobicContact CB-CG2 3.71Å; L670-T737 HydrophobicContact CD2-CG2 3.49Å; L670-T737 VanDerWaalsContact CD2-CG2 3.49Å; L670-T737 HydrophobicContact CG-CG2 4.17Å; L670-L738 HydrophobicContact CD2-CD2 3.67Å
671	K	98.4	Very high	98.5	Very high	42 Å²	42	18.6 Å²	18.6	18%	0.183	9%	0.091	C	C	.	.	H	α-helix	trans	-60.6	-53.8	-179.9	-177.7	179.7	170	-169.5	0	110.6	N667 G668 G669 A673 Y674 H675 E763 W765	N667-K671 WeakPolarHBondContact O-CB 3.39Å; N667-K671 PolarHBondContact O-N 2.96Å; G668-K671 PolarHBondContact O-N 3.21Å; G669-K671 PolarHBondContact O-N 3.23Å; K671-A673 VanDerWaalsContact C-N 3.32Å; K671-A673 PolarHBondContact O-N 3.13Å; K671-Y674 PolarHBondContact O-N 3.06Å; K671-Y674 VanDerWaalsContact O-N 3.16Å; K671-H675 PolarHBondContact O-CD2 2.86Å; K671-H675 PolarHBondContact O-N 3.31Å; K671-E763 IonicContact NZ-OE1 3.7Å; K671-E763 PolarHBondContact NZ-OE1 3.45Å; K671-W765 VanDerWaalsContact CD-O 3.25Å; K671-W765 WeakPolarHBondContact CD-O 3.34Å; K671-W765 VanDerWaalsContact NZ-C 3.3Å; K671-W765 PolarHBondContact NZ-O 2.87Å; K671-W765 PolarHBondContact NZ-OXT 3.34Å; K671-W765 VanDerWaalsContact NZ-OXT 3.09Å
672	A	98.4	Very high	98.4	Very high	5 Å²	5	26.8 Å²	26.8	4%	0.041	13%	0.129	C	C	.	.	H	α-helix	trans	-57.5	-44	179.6	0	0	0	0	0	112.1	I466 A469 F470 G668 Y674 H675 A676	I466-A672 HydrophobicContact CG2-CB 4.06Å; A469-A672 WeakPolarHBondContact CB-O 3.46Å; F470-A672 HydrophobicContact CB-CB 4.25Å; G668-A672 WeakPolarHBondContact O-CB 3.3Å; G668-A672 PolarHBondContact O-N 3.07Å; A672-Y674 PolarHBondContact O-N 2.88Å; A672-H675 PolarHBondContact O-N 2.75Å; A672-A676 WeakPolarHBondContact O-CB 3.44Å; A672-A676 PolarHBondContact O-N 3.26Å
673	A	98.8	Very high	98.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-63.8	-40.3	177.6	0	0	0	0	0	113	G597 V598 G669 L670 K671 A676 Y677 F701	G597-A673 VanDerWaalsContact C-CB 3.49Å; G597-A673 WeakPolarHBondContact O-CB 3.4Å; V598-A673 HydrophobicContact CB-CB 4.46Å; V598-A673 HydrophobicContact CG2-CB 3.87Å; G669-A673 VanDerWaalsContact O-CB 3.25Å; G669-A673 WeakPolarHBondContact O-CB 3.48Å; G669-A673 PolarHBondContact O-N 3.33Å; L670-A673 PolarHBondContact O-N 3.4Å; K671-A673 VanDerWaalsContact C-N 3.32Å; K671-A673 PolarHBondContact O-N 3.13Å; A673-A676 PolarHBondContact O-N 3.09Å; A673-Y677 WeakPolarHBondContact O-CB 3.34Å; A673-Y677 PolarHBondContact O-N 2.88Å; A673-F701 HydrophobicContact CB-CE2 4.16Å; A673-F701 HydrophobicContact CB-CZ 4.08Å
674	Y	98.8	Very high	98.2	Very high	11 Å²	11	37.4 Å²	37.4	4%	0.043	18%	0.179	C	C	.	.	H	α-helix	trans	-67.2	-44.3	177.9	-175	-102	0	0	0	111.8	L670 K671 A672 A676 Y677 R678 D698 F701 F702 E743 H747	L670-Y674 WeakPolarHBondContact O-CB 3.38Å; L670-Y674 PolarHBondContact O-N 3.49Å; K671-Y674 PolarHBondContact O-N 3.06Å; K671-Y674 VanDerWaalsContact O-N 3.16Å; A672-Y674 PolarHBondContact O-N 2.88Å; Y674-A676 VanDerWaalsContact C-N 3.33Å; Y674-A676 PolarHBondContact O-N 3.12Å; Y674-Y677 HydrophobicContact CD2-CD1 4.49Å; Y674-Y677 HydrophobicContact CE2-CD1 4.36Å; Y674-Y677 WeakPolarHBondContact O-CB 3.42Å; Y674-Y677 PolarHBondContact O-N 3.1Å; Y674-R678 HydrophobicContact CD1-CG 4.21Å; Y674-R678 HydrophobicContact CE1-CG 3.68Å; Y674-R678 HydrophobicContact CE2-CG 4.41Å; Y674-R678 WeakPolarHBondContact O-CG 3.47Å; Y674-R678 PolarHBondContact O-N 2.65Å; Y674-R678 WeakPolarHBondContact OH-CD 3.38Å; Y674-D698 PolarHBondContact OH-OD1 3.18Å; Y674-D698 VanDerWaalsContact OH-OD1 3.1Å; Y674-F701 AromaticContact CD2-CD1 3.58Å; Y674-F701 HydrophobicContact CD2-CD1 3.58Å; Y674-F701 HydrophobicContact CD2-CD2 4.32Å; Y674-F701 AromaticContact CD2-CE1 3.67Å; Y674-F701 HydrophobicContact CD2-CE1 3.67Å; Y674-F701 HydrophobicContact CD2-CE2 4.38Å; Y674-F701 AromaticContact CD2-CG 3.95Å; Y674-F701 HydrophobicContact CD2-CG 3.95Å; Y674-F701 HydrophobicContact CD2-CZ 4.09Å; Y674-F701 HydrophobicContact CE2-CD1 4.33Å; Y674-F701 HydrophobicContact CG-CE1 4.17Å; Y674-F701 HydrophobicContact CG-CZ 4.38Å; Y674-F702 HydrophobicContact CD2-CE1 4.38Å; Y674-F702 HydrophobicContact CD2-CE2 4.29Å; Y674-F702 AromaticContact CD2-CZ 3.8Å; Y674-F702 HydrophobicContact CD2-CZ 3.8Å; Y674-F702 AromaticContact CE2-CE2 3.9Å; Y674-F702 HydrophobicContact CE2-CE2 3.9Å; Y674-F702 AromaticContact CE2-CZ 3.79Å; Y674-F702 HydrophobicContact CE2-CZ 3.79Å; Y674-F702 HydrophobicContact CG-CZ 4.32Å; Y674-E743 HydrophobicContact CD1-CB 3.92Å; Y674-E743 HydrophobicContact CD1-CG 3.77Å; Y674-E743 HydrophobicContact CE1-CB 3.51Å; Y674-E743 HydrophobicContact CE1-CG 3.49Å; Y674-E743 VanDerWaalsContact CE1-CG 3.49Å; Y674-H747 AromaticContact CZ-NE2 3.91Å; Y674-H747 PolarHBondContact OH-CD2 3.44Å; Y674-H747 VanDerWaalsContact OH-CD2 3.28Å; Y674-H747 PolarHBondContact OH-NE2 2.94Å
675	H	98.4	Very high	98.1	Very high	75 Å²	75	39 Å²	39	35%	0.347	20%	0.196	S	C	.	.	H	α-helix	trans	-64.8	-36.1	175.6	-78.5	-86	0	0	0	112.6	A469 K671 A672 R678 S679	A469-H675 HydrophobicContact CB-CB 3.99Å; K671-H675 PolarHBondContact O-CD2 2.86Å; K671-H675 PolarHBondContact O-N 3.31Å; A672-H675 PolarHBondContact O-N 2.75Å; H675-R678 PolarHBondContact O-N 2.83Å; H675-S679 WeakPolarHBondContact O-CB 3.18Å; H675-S679 PolarHBondContact O-N 3.48Å; H675-S679 PolarHBondContact O-OG 2.82Å
676	A	98.6	Very high	97.8	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.008	22%	0.221	C	C	.	.	H	α-helix	trans	-63.2	-45.1	172	0	0	0	0	0	111.3	E465 I466 A469 F593 A672 A673 Y674 R678 S679 W680	E465-A676 HydrophobicContact CB-CB 4.41Å; I466-A676 HydrophobicContact CG1-CB 3.88Å; A469-A676 HydrophobicContact CB-CB 3.91Å; F593-A676 HydrophobicContact CD1-CB 4.14Å; F593-A676 HydrophobicContact CE1-CB 3.67Å; F593-A676 HydrophobicContact CZ-CB 4.48Å; A672-A676 WeakPolarHBondContact O-CB 3.44Å; A672-A676 PolarHBondContact O-N 3.26Å; A673-A676 PolarHBondContact O-N 3.09Å; Y674-A676 VanDerWaalsContact C-N 3.33Å; Y674-A676 PolarHBondContact O-N 3.12Å; A676-R678 PolarHBondContact O-N 2.86Å; A676-S679 WeakPolarHBondContact O-CB 3.37Å; A676-S679 PolarHBondContact O-N 3.03Å; A676-W680 PolarHBondContact O-N 2.86Å
677	Y	98.5	Very high	97.6	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-58	-46.8	174.2	171.4	-117.9	0	0	0	112.3	A590 F593 A673 Y674 S679 W680 V681 N697 F701	A590-Y677 HydrophobicContact CB-CE2 3.95Å; F593-Y677 HydrophobicContact CB-CD2 4.45Å; F593-Y677 HydrophobicContact CB-CG 4.37Å; F593-Y677 AromaticContact CD2-CD2 3.76Å; F593-Y677 HydrophobicContact CD2-CD2 3.76Å; F593-Y677 HydrophobicContact CD2-CG 4.27Å; F593-Y677 HydrophobicContact CE2-CD2 4.43Å; F593-Y677 HydrophobicContact CG-CD2 4.37Å; F593-Y677 HydrophobicContact CG-CG 4.48Å; A673-Y677 WeakPolarHBondContact O-CB 3.34Å; A673-Y677 PolarHBondContact O-N 2.88Å; Y674-Y677 HydrophobicContact CD2-CD1 4.49Å; Y674-Y677 HydrophobicContact CE2-CD1 4.36Å; Y674-Y677 WeakPolarHBondContact O-CB 3.42Å; Y674-Y677 PolarHBondContact O-N 3.1Å; Y677-S679 VanDerWaalsContact C-N 3.31Å; Y677-S679 PolarHBondContact O-N 3.09Å; Y677-W680 WeakPolarHBondContact O-CB 3.41Å; Y677-W680 PolarHBondContact O-N 3.34Å; Y677-W680 VanDerWaalsContact O-N 3.15Å; Y677-V681 HydrophobicContact CD2-CG2 4.09Å; Y677-V681 HydrophobicContact CE1-CG2 4.13Å; Y677-V681 HydrophobicContact CE2-CG2 3.5Å; Y677-V681 WeakPolarHBondContact O-CG2 3.49Å; Y677-V681 PolarHBondContact O-N 3.37Å; Y677-N697 WeakPolarHBondContact OH-CB 3.34Å; Y677-F701 HydrophobicContact CD1-CD2 4.45Å; Y677-F701 HydrophobicContact CG-CD2 4.49Å
678	R	98.3	Very high	97.4	Very high	85 Å²	85	51.2 Å²	51.2	32%	0.321	25%	0.25	S	S	.	.	H	α-helix	trans	-63.5	-37.4	177.8	-65.6	-53	-60.9	169.8	6.3	112.4	Y674 H675 A676 W680 V681 Q682 E686 D698	Y674-R678 HydrophobicContact CD1-CG 4.21Å; Y674-R678 HydrophobicContact CE1-CG 3.68Å; Y674-R678 HydrophobicContact CE2-CG 4.41Å; Y674-R678 WeakPolarHBondContact O-CG 3.47Å; Y674-R678 PolarHBondContact O-N 2.65Å; Y674-R678 WeakPolarHBondContact OH-CD 3.38Å; H675-R678 PolarHBondContact O-N 2.83Å; A676-R678 PolarHBondContact O-N 2.86Å; R678-W680 VanDerWaalsContact C-N 3.35Å; R678-V681 PolarHBondContact O-N 3.41Å; R678-Q682 PolarHBondContact O-N 3.01Å; R678-E686 IonicContact NH1-OE1 3.43Å; R678-D698 WeakPolarHBondContact CD-OD1 3.4Å; R678-D698 IonicContact CZ-OD1 2.81Å; R678-D698 IonicContact NE-OD1 3.81Å; R678-D698 VanDerWaalsContact NH1-CG 3.29Å; R678-D698 IonicContact NH1-OD1 3.13Å; R678-D698 PolarHBondContact NH1-OD1 2.87Å; R678-D698 IonicContact NH1-OD2 3.73Å; R678-D698 PolarHBondContact NH1-OD2 3.37Å; R678-D698 VanDerWaalsContact NH1-OD2 3.15Å
679	S	97.8	Very high	97.3	Very high	64 Å²	64	57 Å²	57	45%	0.448	27%	0.271	S	S	.	.	H	α-helix	trans	-64.5	-41.1	173.6	-58.5	0	0	0	0	111.4	H675 A676 Y677 Q682 K683	H675-S679 WeakPolarHBondContact O-CB 3.18Å; H675-S679 PolarHBondContact O-N 3.48Å; H675-S679 PolarHBondContact O-OG 2.82Å; A676-S679 WeakPolarHBondContact O-CB 3.37Å; A676-S679 PolarHBondContact O-N 3.03Å; Y677-S679 VanDerWaalsContact C-N 3.31Å; Y677-S679 PolarHBondContact O-N 3.09Å; S679-Q682 PolarHBondContact O-N 2.93Å; S679-K683 PolarHBondContact O-N 3.44Å
680	W	97.4	Very high	97.1	Very high	44 Å²	44	57.6 Å²	57.6	17%	0.167	27%	0.274	C	S	.	.	H	α-helix	trans	-61.2	-44.8	174.1	-175.5	97.8	0	0	0	111.4	K589 F593 A676 Y677 R678 Q682 K683 N684 E687	K589-W680 HydrophobicContact CB-CD2 4.35Å; K589-W680 HydrophobicContact CB-CE3 4.28Å; K589-W680 HydrophobicContact CB-CH2 4.37Å; K589-W680 HydrophobicContact CB-CZ2 4.41Å; K589-W680 HydrophobicContact CB-CZ3 4.32Å; K589-W680 HydrophobicContact CG-CD2 4.22Å; K589-W680 HydrophobicContact CG-CE3 4.41Å; K589-W680 HydrophobicContact CG-CH2 3.81Å; K589-W680 HydrophobicContact CG-CZ2 3.54Å; K589-W680 HydrophobicContact CG-CZ3 4.25Å; F593-W680 HydrophobicContact CE2-CB 3.98Å; F593-W680 HydrophobicContact CE2-CG 4.03Å; F593-W680 HydrophobicContact CZ-CB 4.24Å; A676-W680 PolarHBondContact O-N 2.86Å; Y677-W680 WeakPolarHBondContact O-CB 3.41Å; Y677-W680 PolarHBondContact O-N 3.34Å; Y677-W680 VanDerWaalsContact O-N 3.15Å; R678-W680 VanDerWaalsContact C-N 3.35Å; W680-Q682 VanDerWaalsContact C-N 3.35Å; W680-Q682 PolarHBondContact O-N 3.42Å; W680-K683 PolarHBondContact O-N 2.89Å; W680-N684 HydrophobicContact CD2-CB 4.21Å; W680-N684 HydrophobicContact CE3-CB 4.29Å; W680-N684 HydrophobicContact CH2-CB 3.89Å; W680-N684 HydrophobicContact CZ2-CB 3.8Å; W680-N684 HydrophobicContact CZ3-CB 4.12Å; W680-N684 PolarHBondContact NE1-ND2 3.34Å; W680-N684 WeakPolarHBondContact O-CB 3.31Å; W680-N684 PolarHBondContact O-N 3.15Å; W680-N684 PolarHBondContact O-ND2 3.09Å; W680-E687 HydrophobicContact CH2-CG 3.69Å; W680-E687 HydrophobicContact CZ3-CG 3.52Å
681	V	97.8	Very high	96.9	Very high	9 Å²	9	58.4 Å²	58.4	6%	0.055	28%	0.28	C	S	.	.	H	α-helix	trans	-63.3	-40.4	176.4	171.7	0	0	0	0	111.2	Y677 R678 K683 G685 E686	Y677-V681 HydrophobicContact CD2-CG2 4.09Å; Y677-V681 HydrophobicContact CE1-CG2 4.13Å; Y677-V681 HydrophobicContact CE2-CG2 3.5Å; Y677-V681 WeakPolarHBondContact O-CG2 3.49Å; Y677-V681 PolarHBondContact O-N 3.37Å; R678-V681 PolarHBondContact O-N 3.41Å; V681-K683 VanDerWaalsContact C-N 3.27Å; V681-K683 PolarHBondContact O-N 3.18Å; V681-G685 CarbonylContact O-C 3.52Å; V681-G685 WeakPolarHBondContact O-CA 3.25Å; V681-G685 PolarHBondContact O-N 3.31Å; V681-E686 HydrophobicContact CG1-CG 4.14Å; V681-E686 WeakPolarHBondContact CG1-OE1 3.47Å
682	Q	97.4	Very high	96.7	Very high	171 Å²	171	60.7 Å²	60.7	80%	0.799	31%	0.306	S	S	*	.	H	α-helix	trans	-61.8	-37	176.9	-173	179.7	10.3	0	0	112.1	R678 S679 W680	R678-Q682 PolarHBondContact O-N 3.01Å; S679-Q682 PolarHBondContact O-N 2.93Å; W680-Q682 VanDerWaalsContact C-N 3.35Å; W680-Q682 PolarHBondContact O-N 3.42Å
683	K	97	Very high	96.6	Very high	162 Å²	162	60.5 Å²	60.5	70%	0.704	31%	0.305	S	S	*	.	H	α-helix	trans	-79.1	-40.2	179.9	-179.3	179.8	174.2	-174.4	0	113.2	S679 W680 V681	S679-K683 PolarHBondContact O-N 3.44Å; W680-K683 PolarHBondContact O-N 2.89Å; V681-K683 VanDerWaalsContact C-N 3.27Å; V681-K683 PolarHBondContact O-N 3.18Å
684	N	96.3	Very high	96.3	Very high	87 Å²	87	67.4 Å²	67.4	47%	0.465	34%	0.341	S	S	.	.	H	α-helix	trans	-109	-11.5	-167.7	-59.4	-77.4	0	0	0	113.9	W680	W680-N684 HydrophobicContact CD2-CB 4.21Å; W680-N684 HydrophobicContact CE3-CB 4.29Å; W680-N684 HydrophobicContact CH2-CB 3.89Å; W680-N684 HydrophobicContact CZ2-CB 3.8Å; W680-N684 HydrophobicContact CZ3-CB 4.12Å; W680-N684 PolarHBondContact NE1-ND2 3.34Å; W680-N684 WeakPolarHBondContact O-CB 3.31Å; W680-N684 PolarHBondContact O-N 3.15Å; W680-N684 PolarHBondContact O-ND2 3.09Å
685	G	95.2	Very high	96.2	Very high	35 Å²	35	67.8 Å²	67.8	36%	0.361	34%	0.344	S	S	.	.			trans	86.2	171.3	-172.7	0	0	0	0	0	113.4	V681	V681-G685 CarbonylContact O-C 3.52Å; V681-G685 WeakPolarHBondContact O-CA 3.25Å; V681-G685 PolarHBondContact O-N 3.31Å
686	E	94	Very high	96.1	Very high	114 Å²	114	65.9 Å²	65.9	53%	0.533	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-68.4	133.3	178.4	-74.7	-71.3	171.8	0	0	111.9	R678 V681	R678-E686 IonicContact NH1-OE1 3.43Å; V681-E686 HydrophobicContact CG1-CG 4.14Å; V681-E686 WeakPolarHBondContact CG1-OE1 3.47Å
687	E	94.1	Very high	96.1	Very high	41 Å²	41	66 Å²	66	19%	0.192	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-71.9	157	172.8	-59.2	-174.9	97.3	0	0	111.7	K589 A590 W680 N697	K589-E687 WeakPolarHBondContact CA-OE2 3.22Å; K589-E687 WeakPolarHBondContact CB-OE2 3.47Å; K589-E687 WeakPolarHBondContact CG-OE1 3.18Å; K589-E687 PolarHBondContact N-OE1 3.13Å; K589-E687 PolarHBondContact N-OE2 2.73Å; A590-E687 PolarHBondContact N-OE2 2.93Å; A590-E687 VanDerWaalsContact N-OE2 3.09Å; W680-E687 HydrophobicContact CH2-CG 3.69Å; W680-E687 HydrophobicContact CZ3-CG 3.52Å; E687-N697 PolarHBondContact O-ND2 3.16Å
688	K	94.5	Very high	96.1	Very high	121 Å²	121	66.7 Å²	66.7	53%	0.526	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-65.1	140.2	168.6	-65.9	-177.7	-178.2	179.4	0	110.1	R92 S93 C95	R92-K688 VanDerWaalsContact O-CE 3.31Å; R92-K688 WeakPolarHBondContact O-CE 3.45Å; S93-K688 CarbonylContact O-C 3.48Å; S93-K688 WeakPolarHBondContact O-CA 3.42Å; C95-K688 HydrophobicContact CB-CB 3.94Å
689	R	95.1	Very high	96.1	Very high	127 Å²	127	64.4 Å²	64.4	48%	0.479	34%	0.335	S	S	.	.	B	Isolated β-bridge	trans	-73.9	151.9	179.3	-63.5	-175.4	-177.4	-175.1	-0.8	111.7	S93 I94 C95	S93-R689 PolarHBondContact O-N 3.24Å; I94-R689 CarbonylContact C-O 3.56Å; I94-R689 WeakPolarHBondContact CA-O 3.37Å; C95-R689 PolarHBondContact N-O 2.96Å
690	L	96.2	Very high	96.1	Very high	11 Å²	11	61.5 Å²	61.5	6%	0.058	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-70.4	142.4	172	-71.1	-176.4	0	0	0	112.1	C100 V103 A104 I107 P588 L591 V693 L700	C100-L690 HydrophobicContact CB-CD2 3.78Å; V103-L690 HydrophobicContact CG1-CD1 3.91Å; V103-L690 HydrophobicContact CG1-CD2 3.85Å; A104-L690 HydrophobicContact CB-CB 4.14Å; A104-L690 HydrophobicContact CB-CD1 4.41Å; I107-L690 HydrophobicContact CD1-CD1 3.55Å; P588-L690 HydrophobicContact CG-CD1 4.32Å; P588-L690 HydrophobicContact CG-CD2 3.66Å; P588-L690 HydrophobicContact CG-CG 3.98Å; L591-L690 HydrophobicContact CD1-CD1 4.23Å; L690-V693 HydrophobicContact CB-CB 4.36Å; L690-V693 HydrophobicContact CB-CG2 3.72Å; L690-V693 HydrophobicContact CD1-CG2 4.25Å; L690-L700 HydrophobicContact CD1-CD1 4.06Å; L690-L700 HydrophobicContact CD1-CD2 3.6Å; L690-L700 HydrophobicContact CD1-CG 4.48Å; L690-L700 HydrophobicContact CG-CD2 3.95Å
691	P	94.6	Very high	96.2	Very high	22 Å²	22	59.4 Å²	59.4	14%	0.143	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	149	177.7	28.7	-32.3	0	0	0	110.7	I94 C95 L96 V101 A104 V693	I94-P691 HydrophobicContact CG2-CB 3.72Å; I94-P691 HydrophobicContact CG2-CG 4.4Å; C95-P691 VanDerWaalsContact O-CD 3.27Å; C95-P691 WeakPolarHBondContact O-CD 3.36Å; L96-P691 HydrophobicContact CD2-CB 4.14Å; L96-P691 HydrophobicContact CD2-CG 4.4Å; V101-P691 HydrophobicContact CG2-CG 4.23Å; A104-P691 HydrophobicContact CB-CG 4.03Å; A104-P691 WeakPolarHBondContact CB-O 3.39Å; P691-V693 PolarHBondContact O-N 3.09Å
692	A	93.1	Very high	96.2	Very high	89 Å²	89	59 Å²	59	74%	0.736	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.6	-10.1	174	0	0	0	0	0	118	R113	R113-A692 PolarHBondContact NH2-O 3.09Å
693	V	95.7	Very high	96.3	Very high	2 Å²	2	50.8 Å²	50.8	1%	0.012	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-34.1	176.5	-173.9	0	0	0	0	111.2	A104 I107 V108 R113 L690 P691 L695	A104-V693 HydrophobicContact CB-CG2 3.82Å; I107-V693 HydrophobicContact CG2-CG1 3.94Å; I107-V693 HydrophobicContact CG2-CG2 4.4Å; V108-V693 HydrophobicContact CG2-CG2 4.13Å; R113-V693 PolarHBondContact NH1-O 2.9Å; R113-V693 PolarHBondContact NH2-O 3.25Å; L690-V693 HydrophobicContact CB-CB 4.36Å; L690-V693 HydrophobicContact CB-CG2 3.72Å; L690-V693 HydrophobicContact CD1-CG2 4.25Å; P691-V693 PolarHBondContact O-N 3.09Å; V693-L695 VanDerWaalsContact C-N 3.33Å; V693-L695 HydrophobicContact CG1-CB 4.02Å; V693-L695 HydrophobicContact CG1-CD1 3.73Å; V693-L695 HydrophobicContact CG1-CG 3.86Å; V693-L695 PolarHBondContact O-N 3.17Å
694	N	92.8	Very high	96.3	Very high	145 Å²	145	43.5 Å²	43.5	78%	0.775	24%	0.236	S	C	*	.			trans	56.2	42.5	-177.6	-164.3	45.4	0	0	0	113.5
695	L	96.5	Very high	96.4	Very high	18 Å²	18	39.4 Å²	39.4	9%	0.094	22%	0.215	C	C	.	.			trans	-126.8	154.4	174.9	-65.9	178.2	0	0	0	110	V693 Q699 V703	V693-L695 VanDerWaalsContact C-N 3.33Å; V693-L695 HydrophobicContact CG1-CB 4.02Å; V693-L695 HydrophobicContact CG1-CD1 3.73Å; V693-L695 HydrophobicContact CG1-CG 3.86Å; V693-L695 PolarHBondContact O-N 3.17Å; L695-Q699 HydrophobicContact CB-CB 3.94Å; L695-Q699 HydrophobicContact CD2-CB 4.11Å; L695-Q699 HydrophobicContact CG-CB 4.41Å; L695-V703 HydrophobicContact CD1-CG2 3.73Å
696	T	96.9	Very high	96.6	Very high	35 Å²	35	37.8 Å²	37.8	22%	0.215	20%	0.197	C	C	.	.			trans	-71.3	166.6	164.9	67.5	0	0	0	0	110.3	D698 Q699 L700	T696-D698 VanDerWaalsContact C-N 3.3Å; T696-D698 PolarHBondContact O-N 2.82Å; T696-Q699 PolarHBondContact O-N 3.23Å; T696-Q699 WeakPolarHBondContact OG1-CG 3.48Å; T696-Q699 PolarHBondContact OG1-N 3.48Å; T696-Q699 VanDerWaalsContact OG1-N 3.09Å; T696-L700 VanDerWaalsContact O-CB 3.3Å; T696-L700 WeakPolarHBondContact O-CB 3.41Å; T696-L700 PolarHBondContact O-N 2.8Å
697	N	97.8	Very high	96.8	Very high	4 Å²	4	33.4 Å²	33.4	2%	0.021	18%	0.177	C	C	.	.	H	α-helix	trans	-67	-33.8	175.1	-59.4	-29.9	0	0	0	111.3	A590 Y677 E687 L700 F701	A590-N697 HydrophobicContact CB-CB 4.02Å; A590-N697 WeakPolarHBondContact CB-O 3.32Å; Y677-N697 WeakPolarHBondContact OH-CB 3.34Å; E687-N697 PolarHBondContact O-ND2 3.16Å; N697-L700 WeakPolarHBondContact O-CB 3.06Å; N697-L700 PolarHBondContact O-N 2.86Å; N697-F701 PolarHBondContact O-N 3.24Å
698	D	98.5	Very high	97	Very high	14 Å²	14	31.7 Å²	31.7	8%	0.075	17%	0.169	C	C	.	.	H	α-helix	trans	-62.6	-44.1	171.9	-60.6	-71.3	0	0	0	112.6	Y674 R678 T696 L700 F701 F702 H747	Y674-D698 PolarHBondContact OH-OD1 3.18Å; Y674-D698 VanDerWaalsContact OH-OD1 3.1Å; R678-D698 WeakPolarHBondContact CD-OD1 3.4Å; R678-D698 IonicContact CZ-OD1 2.81Å; R678-D698 IonicContact NE-OD1 3.81Å; R678-D698 VanDerWaalsContact NH1-CG 3.29Å; R678-D698 IonicContact NH1-OD1 3.13Å; R678-D698 PolarHBondContact NH1-OD1 2.87Å; R678-D698 IonicContact NH1-OD2 3.73Å; R678-D698 PolarHBondContact NH1-OD2 3.37Å; R678-D698 VanDerWaalsContact NH1-OD2 3.15Å; T696-D698 VanDerWaalsContact C-N 3.3Å; T696-D698 PolarHBondContact O-N 2.82Å; D698-L700 VanDerWaalsContact C-N 3.26Å; D698-L700 PolarHBondContact O-N 3.23Å; D698-F701 WeakPolarHBondContact O-CB 3.5Å; D698-F701 PolarHBondContact O-N 2.91Å; D698-F702 WeakPolarHBondContact O-CD2 3.46Å; D698-H747 WeakPolarHBondContact CB-CE1 3.39Å; D698-H747 WeakPolarHBondContact CB-NE2 3.4Å; D698-H747 IonicContact OD1-CE1 3.02Å; D698-H747 IonicContact OD1-NE2 2.69Å; D698-H747 IonicContact OD2-CE1 3.24Å
699	Q	98.6	Very high	97.2	Very high	37 Å²	37	27.3 Å²	27.3	17%	0.173	15%	0.149	C	C	.	.	H	α-helix	trans	-64.3	-36.1	173.9	-72.5	173.3	-33.4	0	0	111.3	L695 T696 F701 F702 V703 H747 F748	L695-Q699 HydrophobicContact CB-CB 3.94Å; L695-Q699 HydrophobicContact CD2-CB 4.11Å; L695-Q699 HydrophobicContact CG-CB 4.41Å; T696-Q699 PolarHBondContact O-N 3.23Å; T696-Q699 WeakPolarHBondContact OG1-CG 3.48Å; T696-Q699 PolarHBondContact OG1-N 3.48Å; T696-Q699 VanDerWaalsContact OG1-N 3.09Å; Q699-F701 VanDerWaalsContact C-N 3.33Å; Q699-F702 PolarHBondContact O-N 3.27Å; Q699-V703 WeakPolarHBondContact O-CG2 3.36Å; Q699-V703 PolarHBondContact O-N 3.24Å; Q699-V703 VanDerWaalsContact O-N 3.07Å; Q699-H747 HydrophobicContact CG-CB 4.22Å; Q699-H747 PolarHBondContact NE2-O 2.9Å; Q699-F748 HydrophobicContact CB-CE1 4.32Å; Q699-F748 HydrophobicContact CB-CE2 4.05Å; Q699-F748 HydrophobicContact CB-CZ 3.69Å; Q699-F748 HydrophobicContact CG-CD2 4.41Å; Q699-F748 HydrophobicContact CG-CE1 4.19Å; Q699-F748 HydrophobicContact CG-CE2 3.96Å; Q699-F748 HydrophobicContact CG-CZ 3.84Å
700	L	98.3	Very high	97.3	Very high	3 Å²	3	21.3 Å²	21.3	2%	0.016	13%	0.127	C	C	.	.	H	α-helix	trans	-64.9	-35.1	177.6	-173.5	64.4	0	0	0	112.2	I107 P588 A590 L591 L690 T696 N697 D698 V703 G704	I107-L700 HydrophobicContact CD1-CD1 3.7Å; P588-L700 HydrophobicContact CB-CD2 4.47Å; A590-L700 HydrophobicContact CB-CB 4.46Å; A590-L700 HydrophobicContact CB-CD2 4.38Å; L591-L700 HydrophobicContact CD1-CD2 4.46Å; L591-L700 HydrophobicContact CD2-CD1 3.73Å; L591-L700 HydrophobicContact CD2-CD2 4.23Å; L591-L700 HydrophobicContact CD2-CG 3.64Å; L591-L700 HydrophobicContact CG-CD1 4.34Å; L591-L700 HydrophobicContact CG-CD2 3.98Å; L591-L700 HydrophobicContact CG-CG 3.94Å; L690-L700 HydrophobicContact CD1-CD1 4.06Å; L690-L700 HydrophobicContact CD1-CD2 3.6Å; L690-L700 HydrophobicContact CD1-CG 4.48Å; L690-L700 HydrophobicContact CG-CD2 3.95Å; T696-L700 VanDerWaalsContact O-CB 3.3Å; T696-L700 WeakPolarHBondContact O-CB 3.41Å; T696-L700 PolarHBondContact O-N 2.8Å; N697-L700 WeakPolarHBondContact O-CB 3.06Å; N697-L700 PolarHBondContact O-N 2.86Å; D698-L700 VanDerWaalsContact C-N 3.26Å; D698-L700 PolarHBondContact O-N 3.23Å; L700-V703 PolarHBondContact O-N 3.42Å; L700-G704 PolarHBondContact O-N 3.42Å
701	F	98.8	Very high	97.4	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-55.8	-52.2	172.7	169.5	-82.4	0	0	0	111.1	A590 F593 G594 V598 L670 A673 Y674 Y677 N697 D698 Q699 V703 G704 F705	A590-F701 WeakPolarHBondContact O-CA 3.37Å; F593-F701 VanDerWaalsContact C-CE2 3.41Å; F593-F701 HydrophobicContact CB-CD2 3.9Å; F593-F701 HydrophobicContact CB-CE2 3.82Å; F593-F701 WeakPolarHBondContact O-CE2 3.42Å; G594-F701 VanDerWaalsContact N-CD2 3.32Å; V598-F701 HydrophobicContact CG2-CE2 4.49Å; V598-F701 HydrophobicContact CG2-CZ 4Å; L670-F701 HydrophobicContact CD1-CE1 3.61Å; L670-F701 HydrophobicContact CD1-CZ 3.98Å; L670-F701 HydrophobicContact CG-CE1 4.33Å; A673-F701 HydrophobicContact CB-CE2 4.16Å; A673-F701 HydrophobicContact CB-CZ 4.08Å; Y674-F701 AromaticContact CD2-CD1 3.58Å; Y674-F701 HydrophobicContact CD2-CD1 3.58Å; Y674-F701 HydrophobicContact CD2-CD2 4.32Å; Y674-F701 AromaticContact CD2-CE1 3.67Å; Y674-F701 HydrophobicContact CD2-CE1 3.67Å; Y674-F701 HydrophobicContact CD2-CE2 4.38Å; Y674-F701 AromaticContact CD2-CG 3.95Å; Y674-F701 HydrophobicContact CD2-CG 3.95Å; Y674-F701 HydrophobicContact CD2-CZ 4.09Å; Y674-F701 HydrophobicContact CE2-CD1 4.33Å; Y674-F701 HydrophobicContact CG-CE1 4.17Å; Y674-F701 HydrophobicContact CG-CZ 4.38Å; Y677-F701 HydrophobicContact CD1-CD2 4.45Å; Y677-F701 HydrophobicContact CG-CD2 4.49Å; N697-F701 PolarHBondContact O-N 3.24Å; D698-F701 WeakPolarHBondContact O-CB 3.5Å; D698-F701 PolarHBondContact O-N 2.91Å; Q699-F701 VanDerWaalsContact C-N 3.33Å; F701-V703 PolarHBondContact O-N 3.19Å; F701-G704 PolarHBondContact O-N 2.61Å; F701-F705 PolarHBondContact O-N 3.05Å
702	F	98.9	Very high	97.5	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-67.9	-34.8	-178.7	-61.5	-69.8	0	0	0	112.5	F121 L670 Y674 D698 Q699 A706 L738 E743 F744 H747 F748	F121-F702 HydrophobicContact CE1-CB 4.28Å; F121-F702 HydrophobicContact CZ-CB 4.17Å; L670-F702 HydrophobicContact CD2-CE1 4.47Å; Y674-F702 HydrophobicContact CD2-CE1 4.38Å; Y674-F702 HydrophobicContact CD2-CE2 4.29Å; Y674-F702 AromaticContact CD2-CZ 3.8Å; Y674-F702 HydrophobicContact CD2-CZ 3.8Å; Y674-F702 AromaticContact CE2-CE2 3.9Å; Y674-F702 HydrophobicContact CE2-CE2 3.9Å; Y674-F702 AromaticContact CE2-CZ 3.79Å; Y674-F702 HydrophobicContact CE2-CZ 3.79Å; Y674-F702 HydrophobicContact CG-CZ 4.32Å; D698-F702 WeakPolarHBondContact O-CD2 3.46Å; Q699-F702 PolarHBondContact O-N 3.27Å; F702-A706 WeakPolarHBondContact O-CB 3.33Å; F702-A706 PolarHBondContact O-N 2.85Å; F702-L738 HydrophobicContact CB-CD2 4.48Å; F702-L738 HydrophobicContact CD1-CD2 3.55Å; F702-L738 HydrophobicContact CE1-CD2 4.23Å; F702-L738 HydrophobicContact CG-CD2 4.38Å; F702-E743 HydrophobicContact CZ-CB 4.02Å; F702-F744 HydrophobicContact CB-CD2 4.12Å; F702-F744 HydrophobicContact CD1-CB 4.08Å; F702-F744 HydrophobicContact CD1-CD2 4.11Å; F702-F744 HydrophobicContact CD2-CD2 4.32Å; F702-F744 HydrophobicContact CE1-CB 3.82Å; F702-F744 HydrophobicContact CE2-CB 4.43Å; F702-F744 HydrophobicContact CG-CB 4.49Å; F702-F744 AromaticContact CG-CD2 3.92Å; F702-F744 HydrophobicContact CG-CD2 3.92Å; F702-F744 HydrophobicContact CZ-CB 4.03Å; F702-H747 HydrophobicContact CE2-CB 4.32Å; F702-F748 HydrophobicContact CB-CE2 3.99Å; F702-F748 HydrophobicContact CD2-CE2 4.03Å; F702-F748 HydrophobicContact CG-CE2 4.37Å
703	V	98.7	Very high	97.5	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-65.5	-42.5	172.4	170.5	0	0	0	0	111	I107 L111 F121 Y124 L695 Q699 L700 F701 F705 A706 Q707 F748	I107-V703 HydrophobicContact CG2-CG1 3.99Å; L111-V703 HydrophobicContact CD2-CG1 4.13Å; L111-V703 HydrophobicContact CD2-CG2 4.47Å; F121-V703 HydrophobicContact CZ-CG2 3.84Å; Y124-V703 HydrophobicContact CE1-CG2 4.12Å; L695-V703 HydrophobicContact CD1-CG2 3.73Å; Q699-V703 WeakPolarHBondContact O-CG2 3.36Å; Q699-V703 PolarHBondContact O-N 3.24Å; Q699-V703 VanDerWaalsContact O-N 3.07Å; L700-V703 PolarHBondContact O-N 3.42Å; F701-V703 PolarHBondContact O-N 3.19Å; V703-F705 PolarHBondContact O-N 3.06Å; V703-A706 PolarHBondContact O-N 2.75Å; V703-Q707 HydrophobicContact CG1-CG 4.16Å; V703-Q707 WeakPolarHBondContact O-CB 3.21Å; V703-Q707 VanDerWaalsContact O-CG 3.29Å; V703-Q707 WeakPolarHBondContact O-CG 3.39Å; V703-Q707 PolarHBondContact O-N 3.4Å; V703-F748 HydrophobicContact CG2-CZ 4.29Å
704	G	98	Very high	97.5	Very high	9 Å²	9	21.2 Å²	21.2	9%	0.093	11%	0.11	C	C	.	.	H	α-helix	trans	-58	-47.9	175.4	0	0	0	0	0	111.8	L700 F701 Q707 V708	L700-G704 PolarHBondContact O-N 3.42Å; F701-G704 PolarHBondContact O-N 2.61Å; G704-Q707 PolarHBondContact O-N 3.1Å; G704-V708 PolarHBondContact O-N 2.92Å
705	F	98.8	Very high	97.6	Very high	1 Å²	1	18 Å²	18	0%	0.004	10%	0.098	C	C	.	.	H	α-helix	trans	-55.1	-52.9	172.8	163.2	-106.4	0	0	0	112.4	G594 V598 L670 F701 V703 Q707 V708 W709 V734 T737 L738	G594-F705 WeakPolarHBondContact O-CA 3.22Å; G594-F705 WeakPolarHBondContact O-CB 3.31Å; G594-F705 PolarHBondContact O-N 3.09Å; V598-F705 HydrophobicContact CB-CD2 4.22Å; V598-F705 HydrophobicContact CG1-CD2 3.73Å; V598-F705 HydrophobicContact CG1-CE2 3.87Å; V598-F705 HydrophobicContact CG2-CB 4.45Å; V598-F705 HydrophobicContact CG2-CD2 4.05Å; L670-F705 HydrophobicContact CD1-CB 4.05Å; L670-F705 HydrophobicContact CD1-CD1 3.92Å; L670-F705 HydrophobicContact CD1-CD2 3.78Å; L670-F705 HydrophobicContact CD1-CE1 4.32Å; L670-F705 HydrophobicContact CD1-CE2 4.17Å; L670-F705 HydrophobicContact CD1-CG 3.62Å; L670-F705 HydrophobicContact CD1-CZ 4.43Å; F701-F705 PolarHBondContact O-N 3.05Å; V703-F705 PolarHBondContact O-N 3.06Å; F705-Q707 VanDerWaalsContact C-N 3.27Å; F705-Q707 PolarHBondContact O-N 3.36Å; F705-V708 PolarHBondContact O-N 3.48Å; F705-W709 AromaticContact CE2-CD1 3.88Å; F705-W709 AromaticContact CE2-NE1 3.47Å; F705-W709 VanDerWaalsContact O-CD1 3.31Å; F705-V734 HydrophobicContact CE1-CB 4.43Å; F705-V734 HydrophobicContact CE1-CG1 4.38Å; F705-V734 HydrophobicContact CE1-CG2 4.32Å; F705-T737 HydrophobicContact CZ-CG2 4.07Å; F705-L738 HydrophobicContact CD1-CD1 4.3Å; F705-L738 HydrophobicContact CD1-CD2 3.95Å; F705-L738 HydrophobicContact CD1-CG 4.19Å; F705-L738 HydrophobicContact CE1-CD1 4.24Å; F705-L738 HydrophobicContact CE1-CD2 3.98Å; F705-L738 HydrophobicContact CE1-CG 3.86Å
706	A	98.8	Very high	97.5	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-64.5	-34.4	-177.6	0	0	0	0	0	112.3	F121 A125 C126 F702 V703 V708 W709 V734	F121-A706 HydrophobicContact CD1-CB 3.85Å; F121-A706 HydrophobicContact CE1-CB 3.72Å; A125-A706 HydrophobicContact CB-CB 3.43Å; A125-A706 VanDerWaalsContact CB-CB 3.43Å; C126-A706 PolarHBondContact SG-O 3.43Å; C126-A706 VanDerWaalsContact SG-O 3.38Å; F702-A706 WeakPolarHBondContact O-CB 3.33Å; F702-A706 PolarHBondContact O-N 2.85Å; V703-A706 PolarHBondContact O-N 2.75Å; A706-V708 VanDerWaalsContact C-N 3.35Å; A706-V708 PolarHBondContact O-N 2.93Å; A706-W709 PolarHBondContact O-N 3.13Å; A706-W709 VanDerWaalsContact O-N 3.12Å; A706-V734 HydrophobicContact CB-CG1 3.72Å; A706-V734 HydrophobicContact CB-CG2 4.14Å
707	Q	98.2	Very high	97.4	Very high	23 Å²	23	18.9 Å²	18.9	11%	0.107	10%	0.099	C	C	.	.	H	α-helix	trans	-73.7	-22.7	-177.3	-74.6	-175.5	-5.4	0	0	114.3	I107 A110 A125 T144 V703 G704 F705 W709 C710	I107-Q707 PolarHBondContact O-NE2 3.32Å; A110-Q707 HydrophobicContact CB-CG 4.42Å; A110-Q707 VanDerWaalsContact CB-NE2 3.32Å; A125-Q707 HydrophobicContact CB-CG 4.41Å; A125-Q707 WeakPolarHBondContact O-CG 3.1Å; A125-Q707 PolarHBondContact O-NE2 3.44Å; T144-Q707 PolarHBondContact OG1-O 3.12Å; V703-Q707 HydrophobicContact CG1-CG 4.16Å; V703-Q707 WeakPolarHBondContact O-CB 3.21Å; V703-Q707 VanDerWaalsContact O-CG 3.29Å; V703-Q707 WeakPolarHBondContact O-CG 3.39Å; V703-Q707 PolarHBondContact O-N 3.4Å; G704-Q707 PolarHBondContact O-N 3.1Å; F705-Q707 VanDerWaalsContact C-N 3.27Å; F705-Q707 PolarHBondContact O-N 3.36Å; Q707-W709 PolarHBondContact O-N 3.5Å; Q707-C710 VanDerWaalsContact CA-SG 3.52Å; Q707-C710 PolarHBondContact O-N 3.33Å; Q707-C710 PolarHBondContact O-SG 3.14Å
708	V	97.8	Very high	97.3	Very high	4 Å²	4	18.8 Å²	18.8	2%	0.024	10%	0.099	C	C	.	.	H	α-helix	trans	-57.7	-36.4	167.3	164.3	0	0	0	0	111	T144 F145 F582 G704 F705 A706	T144-V708 WeakPolarHBondContact CB-O 3.33Å; T144-V708 PolarHBondContact OG1-O 2.81Å; F145-V708 HydrophobicContact CE2-CG1 3.85Å; F145-V708 HydrophobicContact CZ-CG1 3.9Å; F582-V708 HydrophobicContact CD1-CG1 3.96Å; F582-V708 HydrophobicContact CD1-CG2 3.96Å; F582-V708 HydrophobicContact CE1-CB 4.3Å; F582-V708 HydrophobicContact CE1-CG1 3.27Å; F582-V708 HydrophobicContact CE1-CG2 4.08Å; F582-V708 HydrophobicContact CZ-CG1 3.94Å; G704-V708 PolarHBondContact O-N 2.92Å; F705-V708 PolarHBondContact O-N 3.48Å; A706-V708 VanDerWaalsContact C-N 3.35Å; A706-V708 PolarHBondContact O-N 2.93Å
709	W	98.2	Very high	97.2	Very high	30 Å²	30	19.4 Å²	19.4	11%	0.114	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	2.9	-175.2	-64.2	113.1	0	0	0	114.6	Y122 F145 F705 A706 Q707 S711 P730 R733 V734	Y122-W709 WeakPolarHBondContact CE2-O 3.3Å; Y122-W709 PolarHBondContact OH-O 2.97Å; F145-W709 AromaticContact CE2-CE3 3.82Å; F145-W709 HydrophobicContact CE2-CE3 3.82Å; F145-W709 HydrophobicContact CE2-CH2 4.18Å; F145-W709 AromaticContact CE2-CZ3 3.6Å; F145-W709 HydrophobicContact CE2-CZ3 3.6Å; F145-W709 HydrophobicContact CZ-CE3 4.31Å; F145-W709 AromaticContact CZ-CH2 3.82Å; F145-W709 HydrophobicContact CZ-CH2 3.82Å; F145-W709 AromaticContact CZ-CZ3 3.7Å; F145-W709 HydrophobicContact CZ-CZ3 3.7Å; F705-W709 AromaticContact CE2-CD1 3.88Å; F705-W709 AromaticContact CE2-NE1 3.47Å; F705-W709 VanDerWaalsContact O-CD1 3.31Å; A706-W709 PolarHBondContact O-N 3.13Å; A706-W709 VanDerWaalsContact O-N 3.12Å; Q707-W709 PolarHBondContact O-N 3.5Å; W709-S711 PolarHBondContact O-N 3.41Å; W709-S711 VanDerWaalsContact O-N 3.13Å; W709-S711 PolarHBondContact O-OG 3.18Å; W709-P730 HydrophobicContact CB-CB 4.04Å; W709-P730 HydrophobicContact CE3-CB 4.19Å; W709-P730 HydrophobicContact CE3-CG 4.47Å; W709-P730 WeakPolarHBondContact O-CB 3.23Å; W709-R733 HydrophobicContact CD2-CB 4.36Å; W709-R733 VanDerWaalsContact CZ2-CZ 3.47Å; W709-V734 HydrophobicContact CB-CG2 3.59Å; W709-V734 HydrophobicContact CG-CG2 3.93Å
710	C	98.5	Very high	97	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.1	C	C	.	.			trans	-58.5	122.7	176.5	-63	0	0	0	0	110.7	C126 W129 S143 T144 Q707	C126-C710 WeakPolarHBondContact CA-SG 3.38Å; C126-C710 HydrophobicContact CB-CB 3.79Å; C126-C710 WeakPolarHBondContact CB-SG 3.49Å; C126-C710 WeakPolarHBondContact SG-CA 3.44Å; C126-C710 WeakPolarHBondContact SG-CB 3.38Å; C126-C710 CovalentContact SG-SG 2.04Å; C126-C710 PolarHBondContact SG-SG 3.23Å; W129-C710 HydrophobicContact CB-CB 4.17Å; W129-C710 HydrophobicContact CD2-CB 3.57Å; W129-C710 HydrophobicContact CE3-CB 3.66Å; W129-C710 HydrophobicContact CG-CB 3.79Å; W129-C710 HydrophobicContact CZ3-CB 4.33Å; S143-C710 WeakPolarHBondContact CA-O 3.48Å; T144-C710 PolarHBondContact N-O 2.97Å; Q707-C710 VanDerWaalsContact CA-SG 3.52Å; Q707-C710 PolarHBondContact O-N 3.33Å; Q707-C710 PolarHBondContact O-SG 3.14Å
711	S	97.6	Very high	96.8	Very high	16 Å²	16	19.2 Å²	19.2	11%	0.112	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	158.4	-176.5	63.6	0	0	0	0	113.2	Y122 W142 W709 P730	Y122-S711 PolarHBondContact OH-N 3.35Å; Y122-S711 PolarHBondContact OH-O 2.88Å; Y122-S711 PolarHBondContact OH-OG 3.07Å; W142-S711 CarbonylContact O-C 3.37Å; W142-S711 WeakPolarHBondContact O-CA 3.32Å; W142-S711 WeakPolarHBondContact O-CB 3.34Å; W709-S711 PolarHBondContact O-N 3.41Å; W709-S711 VanDerWaalsContact O-N 3.13Å; W709-S711 PolarHBondContact O-OG 3.18Å; S711-P730 WeakPolarHBondContact OG-CB 3.08Å; S711-P730 WeakPolarHBondContact OG-CG 3.39Å
712	V	96.3	Very high	96.6	Very high	26 Å²	26	20.3 Å²	20.3	16%	0.158	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	146.1	168.2	-66.3	0	0	0	0	108.8	W129 V130 L135 R141 W142	W129-V712 HydrophobicContact CZ3-CG1 4.37Å; V130-V712 HydrophobicContact CB-CG1 4.18Å; V130-V712 HydrophobicContact CG1-CG1 3.68Å; V130-V712 HydrophobicContact CG2-CG1 4.03Å; L135-V712 HydrophobicContact CB-CG2 4.25Å; L135-V712 HydrophobicContact CD1-CG2 4.15Å; R141-V712 CarbonylContact C-O 3.27Å; R141-V712 WeakPolarHBondContact CA-O 3.45Å; W142-V712 HydrophobicContact CB-CG2 3.77Å; W142-V712 PolarHBondContact N-O 3.49Å; W142-V712 PolarHBondContact O-N 3Å
713	R	94.9	Very high	96.2	Very high	66 Å²	66	21.3 Å²	21.3	25%	0.249	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	155.5	178.2	61.4	176.5	68.6	-177.6	-7.9	110.9	S140 R141 A718	S140-R713 CarbonylContact O-C 3.49Å; S140-R713 VanDerWaalsContact O-CA 3.29Å; S140-R713 WeakPolarHBondContact O-CA 3.18Å; R141-R713 HydrophobicContact CB-CB 4.18Å; R713-A718 HydrophobicContact CG-CB 4.09Å
714	T	94.9	Very high	95.9	Very high	14 Å²	14	23.3 Å²	23.3	9%	0.086	13%	0.126	C	C	.	.			trans	-66.5	156.6	169.5	58	0	0	0	0	111.1	L135 S140 Y417 T419 E716 S717 A718	L135-T714 HydrophobicContact CD2-CG2 3.44Å; L135-T714 VanDerWaalsContact CD2-CG2 3.44Å; S140-T714 PolarHBondContact O-N 2.91Å; Y417-T714 WeakPolarHBondContact O-CB 3.36Å; Y417-T714 PolarHBondContact O-OG1 3.3Å; T419-T714 HydrophobicContact CG2-CG2 3.59Å; T714-E716 VanDerWaalsContact C-N 3.26Å; T714-E716 PolarHBondContact O-N 3.39Å; T714-S717 PolarHBondContact O-N 3.31Å; T714-S717 WeakPolarHBondContact OG1-CB 3.27Å; T714-S717 PolarHBondContact OG1-N 2.83Å; T714-A718 WeakPolarHBondContact O-CB 3.09Å; T714-A718 PolarHBondContact O-N 2.98Å
715	P	95	Very high	95.8	Very high	79 Å²	79	24.7 Å²	24.7	51%	0.513	13%	0.131	S	C	.	.	H	α-helix	trans	-56.4	-39.7	171.2	-25.2	35.2	0	0	0	113.2	A718 H719	P715-A718 WeakPolarHBondContact O-CB 3.33Å; P715-A718 PolarHBondContact O-N 2.79Å; P715-H719 PolarHBondContact O-N 3.01Å
716	E	94.6	Very high	95.6	Very high	64 Å²	64	26.9 Å²	26.9	30%	0.299	15%	0.145	S	C	.	.	H	α-helix	trans	-66.9	-45.1	179.4	-64.1	81.9	176.9	0	0	111.8	L416 T714 A718 H719 E720	L416-E716 CarbonylContact O-C 3.57Å; T714-E716 VanDerWaalsContact C-N 3.26Å; T714-E716 PolarHBondContact O-N 3.39Å; E716-A718 PolarHBondContact O-N 3.43Å; E716-H719 WeakPolarHBondContact O-CB 3.46Å; E716-H719 PolarHBondContact O-N 2.83Å; E716-E720 PolarHBondContact O-N 3.28Å
717	S	94.6	Very high	95.6	Very high	6 Å²	6	29.5 Å²	29.5	4%	0.042	16%	0.157	C	C	.	.	H	α-helix	trans	-67.7	-27.1	174.4	-179.4	0	0	0	0	112.4	T714 G721	T714-S717 PolarHBondContact O-N 3.31Å; T714-S717 WeakPolarHBondContact OG1-CB 3.27Å; T714-S717 PolarHBondContact OG1-N 2.83Å; S717-G721 PolarHBondContact O-N 2.83Å; S717-G721 VanDerWaalsContact O-N 3.07Å
718	A	96.3	Very high	95.6	Very high	2 Å²	2	28.5 Å²	28.5	2%	0.017	15%	0.153	C	C	.	.	H	α-helix	trans	-67.5	-45.9	171.5	0	0	0	0	0	111.6	I649 R713 T714 P715 E716 G721 L722	I649-A718 HydrophobicContact CG2-CB 3.79Å; R713-A718 HydrophobicContact CG-CB 4.09Å; T714-A718 WeakPolarHBondContact O-CB 3.09Å; T714-A718 PolarHBondContact O-N 2.98Å; P715-A718 WeakPolarHBondContact O-CB 3.33Å; P715-A718 PolarHBondContact O-N 2.79Å; E716-A718 PolarHBondContact O-N 3.43Å; A718-G721 PolarHBondContact O-N 3.33Å; A718-L722 WeakPolarHBondContact O-CG 3.12Å; A718-L722 PolarHBondContact O-N 2.03Å; A718-L722 VanDerWaalsContact O-N 3.1Å
719	H	95.2	Very high	95.6	Very high	28 Å²	28	28.7 Å²	28.7	13%	0.13	15%	0.154	C	C	.	.	H	α-helix	trans	-61	-46.5	175.8	178	67.8	0	0	0	111.7	N270 E652 P715 E716 G721 L722 M723	N270-H719 PolarHBondContact OD1-NE2 2.91Å; E652-H719 IonicContact OE1-CE1 3.35Å; E652-H719 IonicContact OE1-CG 3.25Å; E652-H719 IonicContact OE1-ND1 2.67Å; E652-H719 PolarHBondContact OE1-ND1 3.34Å; E652-H719 IonicContact OE2-CE1 3.43Å; E652-H719 PolarHBondContact OE2-CE1 3.15Å; E652-H719 IonicContact OE2-ND1 3.11Å; E652-H719 PolarHBondContact OE2-ND1 3.45Å; P715-H719 PolarHBondContact O-N 3.01Å; E716-H719 WeakPolarHBondContact O-CB 3.46Å; E716-H719 PolarHBondContact O-N 2.83Å; H719-G721 PolarHBondContact O-N 3.27Å; H719-L722 PolarHBondContact O-N 3.31Å; H719-M723 WeakPolarHBondContact CD2-CE 3.36Å; H719-M723 WeakPolarHBondContact NE2-CE 3.02Å; H719-M723 PolarHBondContact O-N 3.49Å
720	E	94.3	Very high	95.6	Very high	28 Å²	28	28.1 Å²	28.1	13%	0.131	15%	0.154	C	C	.	.	H	α-helix	trans	-57.2	-50.3	175.9	-174.5	-86.4	153.4	0	0	111.6	Y264 Y417 E716 L722 M723 T724	Y264-E720 HydrophobicContact CE2-CG 4.43Å; Y264-E720 WeakPolarHBondContact OH-CA 3.39Å; Y264-E720 WeakPolarHBondContact OH-CB 3.47Å; Y264-E720 VanDerWaalsContact OH-CG 3.32Å; Y264-E720 WeakPolarHBondContact OH-CG 3.41Å; Y417-E720 HydrophobicContact CD1-CB 4.48Å; Y417-E720 HydrophobicContact CD1-CG 4.31Å; Y417-E720 HydrophobicContact CE1-CB 4.33Å; Y417-E720 HydrophobicContact CE1-CG 3.69Å; E716-E720 PolarHBondContact O-N 3.28Å; E720-L722 VanDerWaalsContact C-N 3.26Å; E720-L722 PolarHBondContact O-N 3.13Å; E720-M723 PolarHBondContact O-N 3.35Å; E720-T724 VanDerWaalsContact CD-OG1 3.3Å; E720-T724 HydrophobicContact CG-CG2 4.47Å; E720-T724 PolarHBondContact O-N 3.17Å; E720-T724 VanDerWaalsContact O-N 3.09Å; E720-T724 PolarHBondContact O-OG1 2.82Å; E720-T724 WeakPolarHBondContact OE1-CB 3.32Å; E720-T724 WeakPolarHBondContact OE1-CG2 3.46Å; E720-T724 PolarHBondContact OE1-OG1 3.02Å
721	G	94.4	Very high	95.6	Very high	8 Å²	8	31 Å²	31	8%	0.082	17%	0.167	C	C	.	.	H	α-helix	trans	-60.9	-32	178.8	0	0	0	0	0	113.7	S717 A718 H719 M723 D725	S717-G721 PolarHBondContact O-N 2.83Å; S717-G721 VanDerWaalsContact O-N 3.07Å; A718-G721 PolarHBondContact O-N 3.33Å; H719-G721 PolarHBondContact O-N 3.27Å; G721-M723 PolarHBondContact O-N 3.32Å; G721-D725 WeakPolarHBondContact O-CB 3.01Å; G721-D725 PolarHBondContact O-N 3.17Å
722	L	94.8	Very high	95.7	Very high	22 Å²	22	31.6 Å²	31.6	12%	0.115	17%	0.167	C	C	.	.	H	α-helix	trans	-66.8	-24.2	174.8	-71.4	176.8	0	0	0	113.2	I649 E652 I654 A718 H719 E720 P729	I649-L722 HydrophobicContact CB-CD1 4.38Å; E652-L722 HydrophobicContact CB-CD1 3.64Å; I654-L722 HydrophobicContact CB-CD2 4.39Å; I654-L722 HydrophobicContact CG1-CD2 3.74Å; A718-L722 WeakPolarHBondContact O-CG 3.12Å; A718-L722 PolarHBondContact O-N 2.03Å; A718-L722 VanDerWaalsContact O-N 3.1Å; H719-L722 PolarHBondContact O-N 3.31Å; E720-L722 VanDerWaalsContact C-N 3.26Å; E720-L722 PolarHBondContact O-N 3.13Å; L722-P729 HydrophobicContact CD2-CG 4.03Å
723	M	90.9	Very high	95.8	Very high	22 Å²	22	31 Å²	31	11%	0.108	16%	0.162	C	C	.	.	H	α-helix	trans	-93.8	-25.1	179.6	-69.2	-175.1	-70.2	0	0	113.5	D263 Y264 H719 E720 G721	D263-M723 HydrophobicContact CB-SD 4.2Å; Y264-M723 HydrophobicContact CD1-CE 4.23Å; Y264-M723 HydrophobicContact CD2-CE 4.06Å; Y264-M723 HydrophobicContact CE1-CE 3.59Å; Y264-M723 HydrophobicContact CE2-CE 3.41Å; Y264-M723 VanDerWaalsContact CE2-CE 3.41Å; Y264-M723 HydrophobicContact CE2-SD 4.4Å; Y264-M723 HydrophobicContact CG-CE 4.45Å; Y264-M723 VanDerWaalsContact OH-CE 3.27Å; Y264-M723 WeakPolarHBondContact OH-CE 3.45Å; H719-M723 WeakPolarHBondContact CD2-CE 3.36Å; H719-M723 WeakPolarHBondContact NE2-CE 3.02Å; H719-M723 PolarHBondContact O-N 3.49Å; E720-M723 PolarHBondContact O-N 3.35Å; G721-M723 PolarHBondContact O-N 3.32Å
724	T	93	Very high	96	Very high	41 Å²	41	27.9 Å²	27.9	25%	0.252	15%	0.15	S	C	.	.	H	α-helix	trans	-120.6	-32.3	-167.3	61.1	0	0	0	0	114	P260 E720	P260-T724 HydrophobicContact CB-CG2 3.55Å; E720-T724 VanDerWaalsContact CD-OG1 3.3Å; E720-T724 HydrophobicContact CG-CG2 4.47Å; E720-T724 PolarHBondContact O-N 3.17Å; E720-T724 VanDerWaalsContact O-N 3.09Å; E720-T724 PolarHBondContact O-OG1 2.82Å; E720-T724 WeakPolarHBondContact OE1-CB 3.32Å; E720-T724 WeakPolarHBondContact OE1-CG2 3.46Å; E720-T724 PolarHBondContact OE1-OG1 3.02Å
725	D	94.4	Very high	96.1	Very high	39 Å²	39	28 Å²	28	21%	0.209	15%	0.15	C	C	.	.			trans	-83	123.6	-171.4	-159.4	-12.7	0	0	0	109.2	Q658 G721 H727	Q658-D725 PolarHBondContact NE2-O 3.08Å; G721-D725 WeakPolarHBondContact O-CB 3.01Å; G721-D725 PolarHBondContact O-N 3.17Å; D725-H727 PolarHBondContact O-N 2.95Å; D725-H727 WeakPolarHBondContact OD1-CB 3.31Å; D725-H727 IonicContact OD1-CE1 3.64Å; D725-H727 IonicContact OD1-CG 2.77Å; D725-H727 PolarHBondContact OD1-N 3.25Å; D725-H727 IonicContact OD1-ND1 3.38Å; D725-H727 PolarHBondContact OD1-ND1 3.09Å
726	P	96	Very high	96.3	Very high	47 Å²	47	24.3 Å²	24.3	31%	0.305	13%	0.126	S	C	.	.	S	Bend	trans	-68.4	-13.7	169.3	30.2	-36.2	0	0	0	111.5	T659 E662	T659-P726 WeakPolarHBondContact CA-O 3.29Å; T659-P726 WeakPolarHBondContact CB-O 3.43Å; T659-P726 WeakPolarHBondContact CG2-O 3.28Å; E662-P726 HydrophobicContact CG-CB 4.16Å; E662-P726 WeakPolarHBondContact CG-O 3.45Å
727	H	98	Very high	96.5	Very high	54 Å²	54	21.3 Å²	21.3	25%	0.25	11%	0.112	C	C	.	.	S	Bend	trans	-84.9	141	176.7	-51	91.7	0	0	0	111.7	E662 D725 R733	E662-H727 HydrophobicContact CG-CB 4.46Å; E662-H727 VanDerWaalsContact CG-CD2 3.49Å; E662-H727 WeakPolarHBondContact CG-CD2 3.44Å; E662-H727 IonicContact OE1-CD2 2.97Å; E662-H727 IonicContact OE1-NE2 3.6Å; E662-H727 IonicContact OE2-CD2 3.37Å; E662-H727 PolarHBondContact OE2-CD2 3.27Å; E662-H727 IonicContact OE2-NE2 2.57Å; E662-H727 PolarHBondContact OE2-NE2 3.16Å; D725-H727 PolarHBondContact O-N 2.95Å; D725-H727 WeakPolarHBondContact OD1-CB 3.31Å; D725-H727 IonicContact OD1-CE1 3.64Å; D725-H727 IonicContact OD1-CG 2.77Å; D725-H727 PolarHBondContact OD1-N 3.25Å; D725-H727 IonicContact OD1-ND1 3.38Å; D725-H727 PolarHBondContact OD1-ND1 3.09Å; H727-R733 PolarHBondContact CD2-NH1 2.83Å
728	S	98.5	Very high	96.7	Very high	2 Å²	2	21 Å²	21	1%	0.014	11%	0.11	C	C	.	.	P	Polyproline II helix	trans	-58.4	148.1	163.5	-76.8	0	0	0	0	111	Y644 N663 R733	Y644-S728 WeakPolarHBondContact CD1-OG 3.21Å; Y644-S728 WeakPolarHBondContact CE1-OG 3.31Å; N663-S728 WeakPolarHBondContact OD1-CB 3.43Å; N663-S728 PolarHBondContact OD1-OG 3.36Å; S728-R733 WeakPolarHBondContact O-CD 3.26Å; S728-R733 VanDerWaalsContact O-CG 3.25Å; S728-R733 WeakPolarHBondContact O-CG 3.39Å
729	P	98.2	Very high	96.8	Very high	9 Å²	9	21.2 Å²	21.2	6%	0.058	11%	0.111	C	C	.	.	P	Polyproline II helix	trans	-53.5	143.5	171.1	-25.4	35	0	0	0	111.2	I649 I654 L722 K731 Y732 R733	I649-P729 HydrophobicContact CG1-CB 4.21Å; I649-P729 HydrophobicContact CG1-CG 3.99Å; I654-P729 VanDerWaalsContact CD1-CD 3.47Å; I654-P729 HydrophobicContact CD1-CG 4.04Å; I654-P729 HydrophobicContact CG1-CG 4.33Å; L722-P729 HydrophobicContact CD2-CG 4.03Å; P729-K731 PolarHBondContact O-N 3.33Å; P729-Y732 HydrophobicContact CB-CD2 4.42Å; P729-Y732 WeakPolarHBondContact O-CA 3.42Å; P729-Y732 PolarHBondContact O-N 2.94Å; P729-R733 PolarHBondContact O-N 3.03Å
730	P	98.1	Very high	96.9	Very high	17 Å²	17	20.6 Å²	20.6	11%	0.11	11%	0.109	C	C	.	.	H	α-helix	trans	-52.6	-36.5	-171.5	-31.7	36	0	0	0	114.8	W709 S711 Y732 R733 V734	W709-P730 HydrophobicContact CB-CB 4.04Å; W709-P730 HydrophobicContact CE3-CB 4.19Å; W709-P730 HydrophobicContact CE3-CG 4.47Å; W709-P730 WeakPolarHBondContact O-CB 3.23Å; S711-P730 WeakPolarHBondContact OG-CB 3.08Å; S711-P730 WeakPolarHBondContact OG-CG 3.39Å; P730-Y732 VanDerWaalsContact C-N 3.28Å; P730-Y732 PolarHBondContact O-N 3.07Å; P730-R733 PolarHBondContact O-N 3.4Å; P730-V734 PolarHBondContact O-N 2.84Å; P730-V734 VanDerWaalsContact O-N 3.13Å
731	K	98.1	Very high	97.1	Very high	62 Å²	62	19.8 Å²	19.8	27%	0.27	11%	0.106	S	C	.	.	H	α-helix	trans	-54.4	-44	173.3	176	170.4	-176	167.1	0	112.3	D120 Y122 P729 V734 I735	D120-K731 WeakPolarHBondContact OD2-CE 3.32Å; D120-K731 IonicContact OD2-NZ 3.45Å; D120-K731 PolarHBondContact OD2-NZ 3.5Å; Y122-K731 HydrophobicContact CD1-CB 4.13Å; Y122-K731 HydrophobicContact CD1-CD 4.3Å; Y122-K731 HydrophobicContact CD1-CG 4Å; Y122-K731 HydrophobicContact CD2-CB 4.25Å; Y122-K731 HydrophobicContact CE1-CB 4.27Å; Y122-K731 HydrophobicContact CE2-CB 4.38Å; Y122-K731 HydrophobicContact CG-CB 4.11Å; Y122-K731 HydrophobicContact CG-CG 3.96Å; P729-K731 PolarHBondContact O-N 3.33Å; K731-V734 PolarHBondContact O-N 2.93Å; K731-I735 HydrophobicContact CD-CD1 4.23Å; K731-I735 HydrophobicContact CG-CD1 3.76Å; K731-I735 HydrophobicContact CG-CG1 4.49Å; K731-I735 WeakPolarHBondContact O-CB 3.3Å; K731-I735 WeakPolarHBondContact O-CG1 3.47Å; K731-I735 PolarHBondContact O-N 2.86Å
732	Y	98.6	Very high	97.3	Very high	27 Å²	27	22 Å²	22	11%	0.106	12%	0.12	C	C	.	.	H	α-helix	trans	-89.4	-18.3	-176.5	-63.9	-65	0	0	0	113.5	Y647 T648 I649 I654 P729 P730 V734 I735 G736	Y647-Y732 AromaticContact CD1-CD1 3.68Å; Y647-Y732 HydrophobicContact CD1-CD1 3.68Å; Y647-Y732 AromaticContact CD1-CE1 3.54Å; Y647-Y732 HydrophobicContact CD1-CE1 3.54Å; Y647-Y732 AromaticContact CD2-CD1 3.58Å; Y647-Y732 HydrophobicContact CD2-CD1 3.58Å; Y647-Y732 HydrophobicContact CD2-CE1 4.24Å; Y647-Y732 AromaticContact CD2-CG 3.9Å; Y647-Y732 HydrophobicContact CD2-CG 3.9Å; Y647-Y732 HydrophobicContact CE1-CD1 4.17Å; Y647-Y732 HydrophobicContact CE1-CE1 4.25Å; Y647-Y732 HydrophobicContact CE2-CD1 4.09Å; Y647-Y732 AromaticContact CG-CD1 3.37Å; Y647-Y732 HydrophobicContact CG-CD1 3.37Å; Y647-Y732 AromaticContact CG-CE1 3.55Å; Y647-Y732 HydrophobicContact CG-CE1 3.55Å; Y647-Y732 AromaticContact CG-CG 3.93Å; Y647-Y732 HydrophobicContact CG-CG 3.93Å; T648-Y732 WeakPolarHBondContact O-CE2 3.35Å; T648-Y732 PolarHBondContact O-OH 3.21Å; I649-Y732 HydrophobicContact CD1-CD2 4.03Å; I649-Y732 HydrophobicContact CD1-CE2 3.42Å; I649-Y732 VanDerWaalsContact CD1-CE2 3.42Å; I649-Y732 HydrophobicContact CG1-CD2 4.22Å; I649-Y732 HydrophobicContact CG1-CE2 3.74Å; I654-Y732 HydrophobicContact CD1-CD2 3.53Å; I654-Y732 HydrophobicContact CD1-CE2 4.19Å; I654-Y732 HydrophobicContact CD1-CG 3.96Å; P729-Y732 HydrophobicContact CB-CD2 4.42Å; P729-Y732 WeakPolarHBondContact O-CA 3.42Å; P729-Y732 PolarHBondContact O-N 2.94Å; P730-Y732 VanDerWaalsContact C-N 3.28Å; P730-Y732 PolarHBondContact O-N 3.07Å; Y732-V734 VanDerWaalsContact C-N 3.25Å; Y732-I735 HydrophobicContact CD1-CB 4.31Å; Y732-I735 HydrophobicContact CD1-CG2 4.49Å; Y732-G736 WeakPolarHBondContact O-CA 3.3Å; Y732-G736 PolarHBondContact O-N 2.77Å
733	R	98.8	Very high	97.4	Very high	14 Å²	14	22.9 Å²	22.9	5%	0.053	12%	0.123	C	C	.	.	H	α-helix	trans	-60.7	-38.3	160.1	-63	-169.9	77.1	160.8	0.4	111	H602 D666 W709 H727 S728 P729 P730 T737	H602-R733 PolarHBondContact CE1-NH2 2.8Å; H602-R733 PolarHBondContact NE2-NH2 2.88Å; D666-R733 IonicContact OD1-CZ 2.64Å; D666-R733 IonicContact OD1-NE 3.59Å; D666-R733 PolarHBondContact OD1-NE 3.43Å; D666-R733 IonicContact OD1-NH2 3.21Å; D666-R733 PolarHBondContact OD1-NH2 3.05Å; D666-R733 WeakPolarHBondContact OD2-CB 3.38Å; D666-R733 VanDerWaalsContact OD2-CG 3.29Å; D666-R733 WeakPolarHBondContact OD2-CG 3.46Å; D666-R733 IonicContact OD2-CZ 4Å; D666-R733 IonicContact OD2-NE 2.63Å; D666-R733 PolarHBondContact OD2-NE 3.05Å; D666-R733 IonicContact OD2-NH2 3.95Å; W709-R733 HydrophobicContact CD2-CB 4.36Å; W709-R733 VanDerWaalsContact CZ2-CZ 3.47Å; H727-R733 PolarHBondContact CD2-NH1 2.83Å; S728-R733 WeakPolarHBondContact O-CD 3.26Å; S728-R733 VanDerWaalsContact O-CG 3.25Å; S728-R733 WeakPolarHBondContact O-CG 3.39Å; P729-R733 PolarHBondContact O-N 3.03Å; P730-R733 PolarHBondContact O-N 3.4Å; R733-T737 WeakPolarHBondContact O-CB 3.33Å; R733-T737 PolarHBondContact O-OG1 2.74Å
734	V	98.8	Very high	97.8	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-74	-55.8	173.7	176.8	0	0	0	0	111.8	F121 Y122 F705 A706 W709 P730 K731 Y732 L738	F121-V734 HydrophobicContact CD1-CG1 4.17Å; Y122-V734 HydrophobicContact CD2-CB 4.13Å; Y122-V734 HydrophobicContact CD2-CG2 3.97Å; F705-V734 HydrophobicContact CE1-CB 4.43Å; F705-V734 HydrophobicContact CE1-CG1 4.38Å; F705-V734 HydrophobicContact CE1-CG2 4.32Å; A706-V734 HydrophobicContact CB-CG1 3.72Å; A706-V734 HydrophobicContact CB-CG2 4.14Å; W709-V734 HydrophobicContact CB-CG2 3.59Å; W709-V734 HydrophobicContact CG-CG2 3.93Å; P730-V734 PolarHBondContact O-N 2.84Å; P730-V734 VanDerWaalsContact O-N 3.13Å; K731-V734 PolarHBondContact O-N 2.93Å; Y732-V734 VanDerWaalsContact C-N 3.25Å; V734-L738 HydrophobicContact CG1-CD1 3.73Å; V734-L738 WeakPolarHBondContact O-CB 3.37Å; V734-L738 VanDerWaalsContact O-CG 3.3Å; V734-L738 WeakPolarHBondContact O-CG 3.45Å; V734-L738 PolarHBondContact O-N 3.46Å
735	I	98.7	Very high	98.1	Very high	18 Å²	18	20.1 Å²	20.1	9%	0.092	11%	0.108	C	C	.	.	H	α-helix	trans	-65.7	-48.2	-172.6	-70.4	176	0	0	0	111.8	Y647 K731 Y732 T737 S739 M756	Y647-I735 HydrophobicContact CE1-CG2 4.46Å; K731-I735 HydrophobicContact CD-CD1 4.23Å; K731-I735 HydrophobicContact CG-CD1 3.76Å; K731-I735 HydrophobicContact CG-CG1 4.49Å; K731-I735 WeakPolarHBondContact O-CB 3.3Å; K731-I735 WeakPolarHBondContact O-CG1 3.47Å; K731-I735 PolarHBondContact O-N 2.86Å; Y732-I735 HydrophobicContact CD1-CB 4.31Å; Y732-I735 HydrophobicContact CD1-CG2 4.49Å; I735-T737 PolarHBondContact O-N 3.21Å; I735-S739 VanDerWaalsContact O-CB 3.23Å; I735-S739 WeakPolarHBondContact O-CB 3.42Å; I735-S739 PolarHBondContact O-N 2.83Å; I735-S739 PolarHBondContact O-OG 3.37Å; I735-M756 HydrophobicContact CB-SD 4.36Å; I735-M756 HydrophobicContact CG1-SD 4.08Å; I735-M756 HydrophobicContact CG2-SD 3.98Å
736	G	98.4	Very high	98.3	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-60.7	-47.6	-177.3	0	0	0	0	0	111.8	Q643 Y732 S739 N740	Q643-G736 PolarHBondContact NE2-O 3Å; Q643-G736 VanDerWaalsContact NE2-O 3.16Å; Y732-G736 WeakPolarHBondContact O-CA 3.3Å; Y732-G736 PolarHBondContact O-N 2.77Å; G736-S739 PolarHBondContact O-N 2.99Å; G736-N740 PolarHBondContact O-N 2.89Å; G736-N740 PolarHBondContact O-ND2 3.38Å
737	T	98.8	Very high	98.4	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.012	13%	0.125	C	C	.	.	H	α-helix	trans	-64.8	-49.9	-179.7	-51.6	0	0	0	0	112.5	Y644 D666 L670 F705 R733 I735 S739 N740 S741	Y644-T737 PolarHBondContact OH-N 3.48Å; D666-T737 HydrophobicContact CB-CG2 4.43Å; D666-T737 WeakPolarHBondContact CB-OG1 3.36Å; D666-T737 WeakPolarHBondContact O-CG2 3.27Å; L670-T737 HydrophobicContact CB-CG2 3.71Å; L670-T737 HydrophobicContact CD2-CG2 3.49Å; L670-T737 VanDerWaalsContact CD2-CG2 3.49Å; L670-T737 HydrophobicContact CG-CG2 4.17Å; F705-T737 HydrophobicContact CZ-CG2 4.07Å; R733-T737 WeakPolarHBondContact O-CB 3.33Å; R733-T737 PolarHBondContact O-OG1 2.74Å; I735-T737 PolarHBondContact O-N 3.21Å; T737-S739 VanDerWaalsContact C-N 3.31Å; T737-S739 PolarHBondContact O-N 2.76Å; T737-N740 PolarHBondContact O-N 3.31Å; T737-N740 VanDerWaalsContact O-N 3.14Å; T737-S741 PolarHBondContact O-N 3.35Å
738	L	98.8	Very high	98.4	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-69.6	-30	-178.8	-65.4	178.2	0	0	0	112.7	F121 L670 F702 F705 V734 N740 S741 F744 M756	F121-L738 HydrophobicContact CB-CD1 4.08Å; F121-L738 HydrophobicContact CD1-CD1 3.14Å; F121-L738 HydrophobicContact CE1-CD1 3.69Å; F121-L738 HydrophobicContact CG-CD1 3.75Å; L670-L738 HydrophobicContact CD2-CD2 3.67Å; F702-L738 HydrophobicContact CB-CD2 4.48Å; F702-L738 HydrophobicContact CD1-CD2 3.55Å; F702-L738 HydrophobicContact CE1-CD2 4.23Å; F702-L738 HydrophobicContact CG-CD2 4.38Å; F705-L738 HydrophobicContact CD1-CD1 4.3Å; F705-L738 HydrophobicContact CD1-CD2 3.95Å; F705-L738 HydrophobicContact CD1-CG 4.19Å; F705-L738 HydrophobicContact CE1-CD1 4.24Å; F705-L738 HydrophobicContact CE1-CD2 3.98Å; F705-L738 HydrophobicContact CE1-CG 3.86Å; V734-L738 HydrophobicContact CG1-CD1 3.73Å; V734-L738 WeakPolarHBondContact O-CB 3.37Å; V734-L738 VanDerWaalsContact O-CG 3.3Å; V734-L738 WeakPolarHBondContact O-CG 3.45Å; V734-L738 PolarHBondContact O-N 3.46Å; L738-N740 PolarHBondContact O-N 2.78Å; L738-S741 PolarHBondContact O-N 2.85Å; L738-S741 VanDerWaalsContact O-N 3.11Å; L738-F744 HydrophobicContact CB-CD1 4.01Å; L738-F744 HydrophobicContact CB-CD2 4.25Å; L738-F744 HydrophobicContact CB-CE1 4.31Å; L738-F744 HydrophobicContact CB-CG 3.99Å; L738-F744 HydrophobicContact CD1-CD2 4.09Å; L738-F744 HydrophobicContact CD1-CE2 3.97Å; L738-F744 HydrophobicContact CD1-CZ 4.46Å; L738-F744 HydrophobicContact CD2-CB 4.2Å; L738-F744 HydrophobicContact CD2-CD2 3.89Å; L738-F744 HydrophobicContact CD2-CG 4.05Å; L738-F744 HydrophobicContact CG-CD2 4.3Å; L738-F744 HydrophobicContact CG-CG 4.45Å; L738-F744 WeakPolarHBondContact O-CD1 3.33Å; L738-M756 HydrophobicContact CB-CE 3.54Å; L738-M756 HydrophobicContact CD1-CE 4.39Å
739	S	98.2	Very high	98.4	Very high	6 Å²	6	31.4 Å²	31.4	4%	0.042	16%	0.155	C	C	.	.	H	α-helix	trans	-63.1	-24.3	174.4	-60.4	0	0	0	0	112.5	I735 G736 T737	I735-S739 VanDerWaalsContact O-CB 3.23Å; I735-S739 WeakPolarHBondContact O-CB 3.42Å; I735-S739 PolarHBondContact O-N 2.83Å; I735-S739 PolarHBondContact O-OG 3.37Å; G736-S739 PolarHBondContact O-N 2.99Å; T737-S739 VanDerWaalsContact C-N 3.31Å; T737-S739 PolarHBondContact O-N 2.76Å
740	N	98.3	Very high	98.4	Very high	15 Å²	15	31.4 Å²	31.4	8%	0.08	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-8.8	176.9	-68.6	-31.7	0	0	0	113.7	Q643 N667 G736 T737 L738 P742 C762	Q643-N740 PolarHBondContact NE2-ND2 2.8Å; Q643-N740 PolarHBondContact OE1-ND2 2.9Å; N667-N740 VanDerWaalsContact OD1-CB 3.26Å; N667-N740 WeakPolarHBondContact OD1-CB 3.34Å; N667-N740 PolarHBondContact OD1-ND2 3.09Å; G736-N740 PolarHBondContact O-N 2.89Å; G736-N740 PolarHBondContact O-ND2 3.38Å; T737-N740 PolarHBondContact O-N 3.31Å; T737-N740 VanDerWaalsContact O-N 3.14Å; L738-N740 PolarHBondContact O-N 2.78Å; N740-P742 WeakPolarHBondContact O-CD 3.37Å; N740-C762 WeakPolarHBondContact CB-O 3.47Å; N740-C762 PolarHBondContact OD1-N 2.93Å
741	S	98.2	Very high	98.4	Very high	11 Å²	11	34.6 Å²	34.6	8%	0.077	18%	0.176	C	C	.	.			trans	-92	116.5	-178.5	171	0	0	0	0	112.8	T737 L738 E743 F744 A745	T737-S741 PolarHBondContact O-N 3.35Å; L738-S741 PolarHBondContact O-N 2.85Å; L738-S741 VanDerWaalsContact O-N 3.11Å; S741-E743 VanDerWaalsContact C-N 3.29Å; S741-E743 PolarHBondContact O-N 2.86Å; S741-E743 PolarHBondContact OG-N 2.83Å; S741-E743 PolarHBondContact OG-OE2 3.42Å; S741-F744 PolarHBondContact OG-N 2.9Å; S741-F744 VanDerWaalsContact OG-N 3.09Å; S741-A745 PolarHBondContact O-N 3.44Å
742	P	97.3	Very high	98.3	Very high	55 Å²	55	38.4 Å²	38.4	36%	0.357	20%	0.198	S	C	.	.	H	α-helix	trans	-55.7	-42.4	167.9	-14.2	18.4	0	0	0	114.3	N740 F744 A745 E746 R761	N740-P742 WeakPolarHBondContact O-CD 3.37Å; P742-F744 VanDerWaalsContact C-N 3.34Å; P742-A745 PolarHBondContact O-N 2.8Å; P742-E746 PolarHBondContact O-N 3.38Å; P742-R761 VanDerWaalsContact CG-NH1 3.33Å
743	E	98.2	Very high	98.1	Very high	39 Å²	39	40 Å²	40	18%	0.182	22%	0.223	C	C	.	.	H	α-helix	trans	-68.6	-39.3	-171.6	-55.5	74	-156	0	0	109.8	Y674 F702 S741 E746 H747	Y674-E743 HydrophobicContact CD1-CB 3.92Å; Y674-E743 HydrophobicContact CD1-CG 3.77Å; Y674-E743 HydrophobicContact CE1-CB 3.51Å; Y674-E743 HydrophobicContact CE1-CG 3.49Å; Y674-E743 VanDerWaalsContact CE1-CG 3.49Å; F702-E743 HydrophobicContact CZ-CB 4.02Å; S741-E743 VanDerWaalsContact C-N 3.29Å; S741-E743 PolarHBondContact O-N 2.86Å; S741-E743 PolarHBondContact OG-N 2.83Å; S741-E743 PolarHBondContact OG-OE2 3.42Å; E743-E746 PolarHBondContact O-N 3.33Å; E743-H747 WeakPolarHBondContact O-CB 3.35Å; E743-H747 PolarHBondContact O-CD2 3.46Å; E743-H747 PolarHBondContact O-N 3.25Å
744	F	98.7	Very high	98	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-56.5	-53.3	170.5	168.9	-99.3	0	0	0	111.4	F121 F702 L738 S741 P742 E746 H747 F748 M756	F121-F744 HydrophobicContact CB-CE2 4.47Å; F121-F744 HydrophobicContact CB-CZ 4.1Å; F121-F744 HydrophobicContact CD1-CE2 4.14Å; F121-F744 AromaticContact CD2-CE2 3.41Å; F121-F744 HydrophobicContact CD2-CE2 3.41Å; F121-F744 VanDerWaalsContact CD2-CE2 3.41Å; F121-F744 AromaticContact CD2-CZ 3.5Å; F121-F744 HydrophobicContact CD2-CZ 3.5Å; F121-F744 HydrophobicContact CE1-CE2 4.18Å; F121-F744 AromaticContact CE2-CE2 3.5Å; F121-F744 HydrophobicContact CE2-CE2 3.5Å; F121-F744 VanDerWaalsContact CE2-CE2 3.5Å; F121-F744 HydrophobicContact CE2-CZ 4.04Å; F121-F744 AromaticContact CG-CE2 3.74Å; F121-F744 HydrophobicContact CG-CE2 3.74Å; F121-F744 AromaticContact CG-CZ 3.81Å; F121-F744 HydrophobicContact CG-CZ 3.81Å; F121-F744 AromaticContact CZ-CE2 3.87Å; F121-F744 HydrophobicContact CZ-CE2 3.87Å; F702-F744 HydrophobicContact CB-CD2 4.12Å; F702-F744 HydrophobicContact CD1-CB 4.08Å; F702-F744 HydrophobicContact CD1-CD2 4.11Å; F702-F744 HydrophobicContact CD2-CD2 4.32Å; F702-F744 HydrophobicContact CE1-CB 3.82Å; F702-F744 HydrophobicContact CE2-CB 4.43Å; F702-F744 HydrophobicContact CG-CB 4.49Å; F702-F744 AromaticContact CG-CD2 3.92Å; F702-F744 HydrophobicContact CG-CD2 3.92Å; F702-F744 HydrophobicContact CZ-CB 4.03Å; L738-F744 HydrophobicContact CB-CD1 4.01Å; L738-F744 HydrophobicContact CB-CD2 4.25Å; L738-F744 HydrophobicContact CB-CE1 4.31Å; L738-F744 HydrophobicContact CB-CG 3.99Å; L738-F744 HydrophobicContact CD1-CD2 4.09Å; L738-F744 HydrophobicContact CD1-CE2 3.97Å; L738-F744 HydrophobicContact CD1-CZ 4.46Å; L738-F744 HydrophobicContact CD2-CB 4.2Å; L738-F744 HydrophobicContact CD2-CD2 3.89Å; L738-F744 HydrophobicContact CD2-CG 4.05Å; L738-F744 HydrophobicContact CG-CD2 4.3Å; L738-F744 HydrophobicContact CG-CG 4.45Å; L738-F744 WeakPolarHBondContact O-CD1 3.33Å; S741-F744 PolarHBondContact OG-N 2.9Å; S741-F744 VanDerWaalsContact OG-N 3.09Å; P742-F744 VanDerWaalsContact C-N 3.34Å; F744-E746 VanDerWaalsContact C-N 3.27Å; F744-E746 PolarHBondContact O-N 2.91Å; F744-H747 PolarHBondContact O-N 3.46Å; F744-F748 AromaticContact CD2-CD2 3.64Å; F744-F748 HydrophobicContact CD2-CD2 3.64Å; F744-F748 HydrophobicContact CD2-CE2 4.02Å; F744-F748 HydrophobicContact CE2-CB 4.46Å; F744-F748 AromaticContact CE2-CD2 3.42Å; F744-F748 HydrophobicContact CE2-CD2 3.42Å; F744-F748 VanDerWaalsContact CE2-CD2 3.42Å; F744-F748 AromaticContact CE2-CE2 3.83Å; F744-F748 HydrophobicContact CE2-CE2 3.83Å; F744-F748 HydrophobicContact CE2-CG 4.01Å; F744-F748 HydrophobicContact CZ-CB 4.45Å; F744-F748 HydrophobicContact CZ-CD2 4.2Å; F744-F748 HydrophobicContact CZ-CG 4.39Å; F744-F748 PolarHBondContact O-N 3.33Å; F744-M756 HydrophobicContact CE1-CB 3.84Å; F744-M756 HydrophobicContact CE1-CE 4.06Å; F744-M756 HydrophobicContact CZ-CB 4.48Å; F744-M756 HydrophobicContact CZ-CE 4.28Å
745	A	98.5	Very high	97.9	Very high	6 Å²	6	43.4 Å²	43.4	5%	0.05	25%	0.249	C	C	.	.	H	α-helix	trans	-62.8	-35	-178	0	0	0	0	0	112.1	S741 P742 Q749 C750 N757	S741-A745 PolarHBondContact O-N 3.44Å; P742-A745 PolarHBondContact O-N 2.8Å; A745-Q749 CarbonylContact O-C 3.46Å; A745-Q749 WeakPolarHBondContact O-CA 3.37Å; A745-Q749 PolarHBondContact O-N 2.89Å; A745-C750 HydrophobicContact CB-CB 4.34Å; A745-C750 PolarHBondContact O-N 3.26Å; A745-N757 HydrophobicContact CB-CB 4.21Å
746	E	98.2	Very high	97.9	Very high	143 Å²	143	42.6 Å²	42.6	67%	0.668	25%	0.245	S	C	*	.	H	α-helix	trans	-64.9	-52.3	173.9	-178.7	179.5	173.6	0	0	111.5	P742 E743 F744 F748 Q749	P742-E746 PolarHBondContact O-N 3.38Å; E743-E746 PolarHBondContact O-N 3.33Å; F744-E746 VanDerWaalsContact C-N 3.27Å; F744-E746 PolarHBondContact O-N 2.91Å; E746-F748 VanDerWaalsContact C-N 3.34Å; E746-F748 PolarHBondContact O-N 2.84Å; E746-Q749 PolarHBondContact O-N 2.73Å; E746-Q749 VanDerWaalsContact O-N 3.11Å
747	H	98.5	Very high	97.8	Very high	42 Å²	42	43.3 Å²	43.3	19%	0.194	25%	0.249	C	C	.	.	H	α-helix	trans	-69.9	-27.9	-174.2	-79.6	-59.6	0	0	0	114.2	Y674 D698 Q699 F702 E743 F744	Y674-H747 AromaticContact CZ-NE2 3.91Å; Y674-H747 PolarHBondContact OH-CD2 3.44Å; Y674-H747 VanDerWaalsContact OH-CD2 3.28Å; Y674-H747 PolarHBondContact OH-NE2 2.94Å; D698-H747 WeakPolarHBondContact CB-CE1 3.39Å; D698-H747 WeakPolarHBondContact CB-NE2 3.4Å; D698-H747 IonicContact OD1-CE1 3.02Å; D698-H747 IonicContact OD1-NE2 2.69Å; D698-H747 IonicContact OD2-CE1 3.24Å; Q699-H747 HydrophobicContact CG-CB 4.22Å; Q699-H747 PolarHBondContact NE2-O 2.9Å; F702-H747 HydrophobicContact CE2-CB 4.32Å; E743-H747 WeakPolarHBondContact O-CB 3.35Å; E743-H747 PolarHBondContact O-CD2 3.46Å; E743-H747 PolarHBondContact O-N 3.25Å; F744-H747 PolarHBondContact O-N 3.46Å
748	F	98.5	Very high	97.5	Very high	21 Å²	21	46.5 Å²	46.5	9%	0.092	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	0.3	172.4	-74.8	-87.3	0	0	0	113.6	P117 F121 Y124 Q699 F702 V703 F744 E746 C750	P117-F748 HydrophobicContact CB-CD1 3.75Å; P117-F748 HydrophobicContact CB-CE1 4.23Å; P117-F748 HydrophobicContact CB-CG 4.45Å; P117-F748 HydrophobicContact CG-CD1 3.92Å; F121-F748 AromaticContact CE2-CD1 3.98Å; F121-F748 HydrophobicContact CE2-CD1 3.98Å; F121-F748 HydrophobicContact CE2-CD2 4.16Å; F121-F748 AromaticContact CE2-CE1 3.57Å; F121-F748 HydrophobicContact CE2-CE1 3.57Å; F121-F748 AromaticContact CE2-CE2 3.76Å; F121-F748 HydrophobicContact CE2-CE2 3.76Å; F121-F748 HydrophobicContact CE2-CG 4.26Å; F121-F748 AromaticContact CE2-CZ 3.44Å; F121-F748 HydrophobicContact CE2-CZ 3.44Å; F121-F748 VanDerWaalsContact CE2-CZ 3.44Å; F121-F748 HydrophobicContact CZ-CE1 4.13Å; F121-F748 AromaticContact CZ-CE2 3.83Å; F121-F748 HydrophobicContact CZ-CE2 3.83Å; F121-F748 AromaticContact CZ-CZ 3.56Å; F121-F748 HydrophobicContact CZ-CZ 3.56Å; Y124-F748 HydrophobicContact CE1-CE1 4.17Å; Q699-F748 HydrophobicContact CB-CE1 4.32Å; Q699-F748 HydrophobicContact CB-CE2 4.05Å; Q699-F748 HydrophobicContact CB-CZ 3.69Å; Q699-F748 HydrophobicContact CG-CD2 4.41Å; Q699-F748 HydrophobicContact CG-CE1 4.19Å; Q699-F748 HydrophobicContact CG-CE2 3.96Å; Q699-F748 HydrophobicContact CG-CZ 3.84Å; F702-F748 HydrophobicContact CB-CE2 3.99Å; F702-F748 HydrophobicContact CD2-CE2 4.03Å; F702-F748 HydrophobicContact CG-CE2 4.37Å; V703-F748 HydrophobicContact CG2-CZ 4.29Å; F744-F748 AromaticContact CD2-CD2 3.64Å; F744-F748 HydrophobicContact CD2-CD2 3.64Å; F744-F748 HydrophobicContact CD2-CE2 4.02Å; F744-F748 HydrophobicContact CE2-CB 4.46Å; F744-F748 AromaticContact CE2-CD2 3.42Å; F744-F748 HydrophobicContact CE2-CD2 3.42Å; F744-F748 VanDerWaalsContact CE2-CD2 3.42Å; F744-F748 AromaticContact CE2-CE2 3.83Å; F744-F748 HydrophobicContact CE2-CE2 3.83Å; F744-F748 HydrophobicContact CE2-CG 4.01Å; F744-F748 HydrophobicContact CZ-CB 4.45Å; F744-F748 HydrophobicContact CZ-CD2 4.2Å; F744-F748 HydrophobicContact CZ-CG 4.39Å; F744-F748 PolarHBondContact O-N 3.33Å; E746-F748 VanDerWaalsContact C-N 3.34Å; E746-F748 PolarHBondContact O-N 2.84Å; F748-C750 VanDerWaalsContact C-N 3.28Å; F748-C750 PolarHBondContact O-N 3.47Å
749	Q	98.3	Very high	97.1	Very high	173 Å²	173	48.8 Å²	48.8	81%	0.808	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	41.8	179.1	-56.9	-179.8	-12.4	0	0	112.6	A745 E746	A745-Q749 CarbonylContact O-C 3.46Å; A745-Q749 WeakPolarHBondContact O-CA 3.37Å; A745-Q749 PolarHBondContact O-N 2.89Å; E746-Q749 PolarHBondContact O-N 2.73Å; E746-Q749 VanDerWaalsContact O-N 3.11Å
750	C	98.5	Very high	96.9	Very high	9 Å²	9	55 Å²	55	6%	0.061	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-73.6	122.1	-176.3	-63.3	0	0	0	0	111.7	C118 A745 F748 N757	C118-C750 WeakPolarHBondContact CA-SG 3.38Å; C118-C750 HydrophobicContact CB-CB 3.62Å; C118-C750 WeakPolarHBondContact CB-SG 3.32Å; C118-C750 WeakPolarHBondContact SG-CA 3.45Å; C118-C750 WeakPolarHBondContact SG-CB 3.35Å; C118-C750 CovalentContact SG-SG 2.05Å; C118-C750 PolarHBondContact SG-SG 3.3Å; A745-C750 HydrophobicContact CB-CB 4.34Å; A745-C750 PolarHBondContact O-N 3.26Å; F748-C750 VanDerWaalsContact C-N 3.28Å; F748-C750 PolarHBondContact O-N 3.47Å; C750-N757 HydrophobicContact CB-CB 3.97Å; C750-N757 PolarHBondContact O-ND2 2.86Å
751	P	97.8	Very high	96.8	Very high	84 Å²	84	58.4 Å²	58.4	55%	0.545	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-67.3	147.3	-178.4	27.8	-33.1	0	0	0	110.9	G753 S754	P751-G753 PolarHBondContact O-N 3.39Å; P751-S754 WeakPolarHBondContact O-CB 3.49Å; P751-S754 PolarHBondContact O-N 2.81Å; P751-S754 VanDerWaalsContact O-N 3.11Å; P751-S754 PolarHBondContact O-OG 2.84Å
752	L	96.8	Very high	96.7	Very high	141 Å²	141	58.1 Å²	58.1	74%	0.738	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	130	174.2	-172	70.2	0	0	0	110.2	G759	L752-G759 VanDerWaalsContact CD1-CA 3.49Å
753	G	94.5	Very high	96.6	Very high	62 Å²	62	59.9 Å²	59.9	64%	0.639	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	91	0	-177.3	0	0	0	0	0	114.7	P751 N757	P751-G753 PolarHBondContact O-N 3.39Å; G753-N757 PolarHBondContact N-O 3.13Å
754	S	97.1	Very high	96.5	Very high	7 Å²	7	58.1 Å²	58.1	5%	0.049	33%	0.328	C	S	.	.	B	Isolated β-bridge	trans	-69	159	166.2	82.6	0	0	0	0	110.7	C118 P751 M756 N757 S758	C118-S754 VanDerWaalsContact O-CB 3.23Å; C118-S754 WeakPolarHBondContact O-CB 3.24Å; C118-S754 PolarHBondContact O-OG 2.95Å; P751-S754 WeakPolarHBondContact O-CB 3.49Å; P751-S754 PolarHBondContact O-N 2.81Å; P751-S754 VanDerWaalsContact O-N 3.11Å; P751-S754 PolarHBondContact O-OG 2.84Å; S754-M756 PolarHBondContact O-N 3.38Å; S754-M756 VanDerWaalsContact O-N 3.17Å; S754-N757 CarbonylContact O-C 3.54Å; S754-N757 PolarHBondContact O-N 3.08Å; S754-N757 PolarHBondContact OG-N 3.37Å; S754-S758 PolarHBondContact O-N 3.49Å
755	S	95.5	Very high	96.4	Very high	78 Å²	78	58.6 Å²	58.6	55%	0.545	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-33.3	-178.6	-54.4	0	0	0	0	113	Q119	Q119-S755 VanDerWaalsContact O-CB 3.3Å; Q119-S755 WeakPolarHBondContact O-CB 3.25Å; Q119-S755 PolarHBondContact OE1-OG 3.48Å; Q119-S755 VanDerWaalsContact OE1-OG 3.07Å
756	M	98.2	Very high	96.2	Very high	1 Å²	1	61.3 Å²	61.3	1%	0.005	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	0.9	176.1	-58.5	-63.8	-53.2	0	0	114.4	C118 F121 I735 L738 F744 S754	C118-M756 WeakPolarHBondContact O-CB 3.39Å; C118-M756 WeakPolarHBondContact O-CG 3.46Å; C118-M756 PolarHBondContact O-N 2.93Å; C118-M756 VanDerWaalsContact O-N 3.16Å; F121-M756 HydrophobicContact CB-CE 3.79Å; F121-M756 HydrophobicContact CB-CG 4.43Å; F121-M756 HydrophobicContact CB-SD 4.16Å; I735-M756 HydrophobicContact CB-SD 4.36Å; I735-M756 HydrophobicContact CG1-SD 4.08Å; I735-M756 HydrophobicContact CG2-SD 3.98Å; L738-M756 HydrophobicContact CB-CE 3.54Å; L738-M756 HydrophobicContact CD1-CE 4.39Å; F744-M756 HydrophobicContact CE1-CB 3.84Å; F744-M756 HydrophobicContact CE1-CE 4.06Å; F744-M756 HydrophobicContact CZ-CB 4.48Å; F744-M756 HydrophobicContact CZ-CE 4.28Å; S754-M756 PolarHBondContact O-N 3.38Å; S754-M756 VanDerWaalsContact O-N 3.17Å
757	N	97.8	Very high	96.1	Very high	14 Å²	14	56.9 Å²	56.9	8%	0.075	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-148.9	64.1	176.6	-171.4	22.7	0	0	0	110.6	A745 C750 G753 S754 G759 R761	A745-N757 HydrophobicContact CB-CB 4.21Å; C750-N757 HydrophobicContact CB-CB 3.97Å; C750-N757 PolarHBondContact O-ND2 2.86Å; G753-N757 PolarHBondContact N-O 3.13Å; S754-N757 CarbonylContact O-C 3.54Å; S754-N757 PolarHBondContact O-N 3.08Å; S754-N757 PolarHBondContact OG-N 3.37Å; N757-G759 PolarHBondContact O-N 3.29Å; N757-G759 VanDerWaalsContact O-N 3.14Å; N757-R761 PolarHBondContact OD1-NH2 3.48Å
758	S	92.9	Very high	96	Very high	69 Å²	69	57.8 Å²	57.8	48%	0.483	33%	0.334	S	S	.	.			trans	-61.9	-21.3	-176.4	69.3	0	0	0	0	113.8	S754 H760	S754-S758 PolarHBondContact O-N 3.49Å; S758-H760 VanDerWaalsContact C-N 3.31Å; S758-H760 PolarHBondContact OG-N 2.86Å; S758-H760 VanDerWaalsContact OG-N 3.12Å; S758-H760 PolarHBondContact OG-O 2.84Å
759	G	90.3	Very high	95.9	Very high	48 Å²	48	59.9 Å²	59.9	50%	0.495	35%	0.348	S	S	.	.	S	Bend	trans	89.3	-11.4	-170.8	0	0	0	0	0	114.2	L752 N757	L752-G759 VanDerWaalsContact CD1-CA 3.49Å; N757-G759 PolarHBondContact O-N 3.29Å; N757-G759 VanDerWaalsContact O-N 3.14Å
760	H	93	Very high	95.7	Very high	136 Å²	136	52.9 Å²	52.9	63%	0.63	32%	0.319	S	S	*	.			trans	-107	115.1	170.5	-172.2	69.6	0	0	0	109.1	C639 S758	C639-H760 PolarHBondContact SG-NE2 3.29Å; S758-H760 VanDerWaalsContact C-N 3.31Å; S758-H760 PolarHBondContact OG-N 2.86Å; S758-H760 VanDerWaalsContact OG-N 3.12Å; S758-H760 PolarHBondContact OG-O 2.84Å
761	R	95.5	Very high	95.5	Very high	88 Å²	88	55.8 Å²	55.8	33%	0.332	34%	0.337	S	S	.	.			trans	-119.9	132.8	-177.2	-62.2	-179.4	-178	156.5	-0.2	109.8	P742 N757	P742-R761 VanDerWaalsContact CG-NH1 3.33Å; N757-R761 PolarHBondContact OD1-NH2 3.48Å
762	C	96.9	Very high	95.4	Very high	5 Å²	5	53.8 Å²	53.8	3%	0.034	32%	0.322	C	S	.	.			trans	-85.2	133.1	169.6	-55.9	0	0	0	0	109.3	C639 M640 N740	C639-C762 HydrophobicContact CB-CB 3.78Å; C639-C762 WeakPolarHBondContact CB-SG 3.43Å; C639-C762 PolarHBondContact O-SG 3.28Å; C639-C762 WeakPolarHBondContact SG-CA 3.11Å; C639-C762 WeakPolarHBondContact SG-CB 3.3Å; C639-C762 CovalentContact SG-SG 2.05Å; C639-C762 PolarHBondContact SG-SG 2.96Å; M640-C762 HydrophobicContact CE-CB 4.18Å; M640-C762 HydrophobicContact CG-CB 3.64Å; N740-C762 WeakPolarHBondContact CB-O 3.47Å; N740-C762 PolarHBondContact OD1-N 2.93Å
763	E	94.4	Very high	95.3	Very high	92 Å²	92	47.1 Å²	47.1	43%	0.43	29%	0.29	S	S	.	.			trans	-142.7	130	178.5	-174.1	179.5	-165.6	0	0	109.4	R636 K671	R636-E763 WeakPolarHBondContact CD-O 3.32Å; R636-E763 PolarHBondContact NH1-O 3.08Å; K671-E763 IonicContact NZ-OE1 3.7Å; K671-E763 PolarHBondContact NZ-OE1 3.45Å
764	V	96.6	Very high	95.3	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.012	26%	0.261	C	S	.	.			trans	-120	-66.7	176.4	-177.3	0	0	0	0	109	W479 F633 R636 T637 M640	W479-V764 HydrophobicContact CZ2-CG1 4.35Å; W479-V764 WeakPolarHBondContact CZ2-O 3.31Å; W479-V764 PolarHBondContact NE1-O 2.89Å; F633-V764 HydrophobicContact CD2-CG1 3.71Å; F633-V764 HydrophobicContact CE2-CG1 3.51Å; R636-V764 HydrophobicContact CB-CG2 4.21Å; T637-V764 HydrophobicContact CG2-CG1 4.47Å; T637-V764 HydrophobicContact CG2-CG2 4.09Å; M640-V764 HydrophobicContact CE-CG2 3.95Å; M640-V764 HydrophobicContact SD-CG2 4.17Å
765	W	95.9	Very high	95.2	Very high	10 Å²	10	49.4 Å²	49.4	4%	0.038	28%	0.28	C	S	.	.			trans	-96.2	0	-178.7	-60	116.7	0	0	0	113	F470 L474 L477 W479 M480 T605 F608 W625 F633 I664 K671	F470-W765 HydrophobicContact CE2-CB 4.01Å; F470-W765 HydrophobicContact CE2-CD2 4.44Å; F470-W765 HydrophobicContact CE2-CG 4.2Å; F470-W765 HydrophobicContact CZ-CD2 4.27Å; F470-W765 HydrophobicContact CZ-CE3 4.06Å; F470-W765 HydrophobicContact CZ-CG 4.49Å; L474-W765 HydrophobicContact CD2-CE3 4.03Å; L474-W765 HydrophobicContact CD2-CZ3 3.89Å; L477-W765 HydrophobicContact CD1-CE3 3.84Å; L477-W765 HydrophobicContact CD1-CZ3 4.06Å; W479-W765 AromaticContact CH2-CH2 3.92Å; W479-W765 HydrophobicContact CH2-CH2 3.92Å; W479-W765 HydrophobicContact CH2-CZ2 4.42Å; W479-W765 HydrophobicContact CH2-CZ3 4.23Å; W479-W765 HydrophobicContact CZ2-CE3 4.4Å; W479-W765 HydrophobicContact CZ2-CH2 4.11Å; W479-W765 HydrophobicContact CZ2-CZ3 4.02Å; M480-W765 HydrophobicContact CE-CH2 3.59Å; M480-W765 HydrophobicContact CE-CZ3 3.59Å; T605-W765 HydrophobicContact CG2-CG 4.11Å; F608-W765 HydrophobicContact CB-CD2 4.14Å; F608-W765 VanDerWaalsContact CB-CE2 3.48Å; F608-W765 HydrophobicContact CB-CH2 3.82Å; F608-W765 HydrophobicContact CB-CZ2 3.37Å; F608-W765 HydrophobicContact CB-CZ3 4.38Å; F608-W765 HydrophobicContact CD1-CH2 4.45Å; F608-W765 HydrophobicContact CG-CH2 4.45Å; F608-W765 HydrophobicContact CG-CZ2 4.43Å; F608-W765 WeakPolarHBondContact O-CZ2 3.39Å; F608-W765 PolarHBondContact O-NE1 2.96Å; W625-W765 AromaticContact CH2-CH2 3.43Å; W625-W765 HydrophobicContact CH2-CH2 3.43Å; W625-W765 VanDerWaalsContact CH2-CH2 3.43Å; W625-W765 AromaticContact CH2-CZ2 3.76Å; W625-W765 HydrophobicContact CH2-CZ2 3.76Å; W625-W765 AromaticContact CZ2-CH2 3.73Å; W625-W765 HydrophobicContact CZ2-CH2 3.73Å; W625-W765 HydrophobicContact CZ2-CZ2 4.25Å; F633-W765 AromaticContact CD2-CZ2 3.88Å; F633-W765 HydrophobicContact CD2-CZ2 3.88Å; F633-W765 AromaticContact CE2-CZ2 3.53Å; F633-W765 HydrophobicContact CE2-CZ2 3.53Å; I664-W765 VanDerWaalsContact CG2-CD1 3.45Å; K671-W765 VanDerWaalsContact CD-O 3.25Å; K671-W765 WeakPolarHBondContact CD-O 3.34Å; K671-W765 VanDerWaalsContact NZ-C 3.3Å; K671-W765 PolarHBondContact NZ-O 2.87Å; K671-W765 PolarHBondContact NZ-OXT 3.34Å; K671-W765 VanDerWaalsContact NZ-OXT 3.09Å

Retrieved 765 of 765 residues in 584.1 ms (Link to these results)

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