A0A2K5TZK3_MACFA Loading...

Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1

S-adenosyl-L-methionine-dependent methyltransferase that mediates RNA cap1 2'-O-ribose methylation to the 5'-cap structure of RNAs. Methylates the ribose of the first nucleotide of a m(7)GpppG-capped mRNA to produce m(7)GpppNmp (cap1). S-adenosyl-L-methionine-dependent methyltransferase that mediates mRNA cap1 2'-O-ribose methylation to the 5'-cap structure of mRNAs. Methylates the ribose of the first nucleotide of a m(7)GpppG-capped mRNA and small nuclear RNA (snRNA) to produce m(7)GpppRm (cap1). Displays a preference for cap0 transcripts. Cap1 modification is linked to higher levels of translation. May be involved in the interferon response pathway.

AlphaFold DB , UniProt , Accession A0A2K5TZK3, Species MACFA (Macaca fascicularis, Crab-eating macaque), Gene n/a, Length 835 aa.

						>A0A2K5TZK3_MACFA|A0A2K5TZK3
MKRRTDPECTAPIKKQKKRVAELALSLSSTSDDEPPSSVSHGAKASTTSLSGSDSETEGKQHSSDSFDDAFKADSLVEGTSSRYSMYNSVSQKLMAKMGFREGEGLGKYSQGRKDIVEASSQKGRRGLGLTLRGFDQELNVDWRDEPEPSACEQVSWFPECTTEIPDTQEMSDWMVVGKRKMIIEDETEFCGEELLHSVLQCKSVFDVLDGEEMRRARTRANPYEMIRGVFFLNRAAMKMANMDFVFDRMFTNPRDSYGKPLVKDREAELLYFADVCAGPGGFSEYVLWRKKWHAKGFGMTLKGPNDFKLEDFYSASSELFEPYYGEGGIDGDGDITRPENISAFRNFVLDNTDRKGVHFLMADGGFSVEGQENLQEILSKQLLLCQFLMALSIVRTGGHFICKTFDLFTPFSVGLVYLLYCCFERVCLFKPITSRPANSERYVVCKGLKVGIDDVRDYLFAVNIKLNQLRNTDSDVNLVVPLEVIKGDHEFTDYMIRSNESHCGLQIKALAKIHAFVQDTTLSEPRQAEIRKECLRLWGIPDQARVAPSSSDPKSKFFELIQGTEIDIFSYKPTLLTSKTLEKIRPVFDYRCMVSGSEQKFLIGLGKSQIYTWDGRQSDRWIKLDLKTELPRDTLLSVEIVHELKGEGKAQRKISAIHILDVLVLNGTDVREQHFNQRIQLAEKFVKAVSKPSRPDMNPIRVKEVYRLEEMEKIFVRLEMKIIKGSSGTPKLSYTGRDDRHFVPMGLYIVRTVNEPWTMGFSKSFKKKFFYNKKTKDSTFDLPADSIAPFHICYYGRLFWEWGDGIRVHDSQKPQDQDKLSKEDVLSFIQMHRA
					

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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	34.4	Very low	28	Very low	255 Å²	255	168.8 Å²	168.8	100%	1.256	86%	0.864	S	S	*	*				0	166.1	0	-89.9	173.2	164.8	0	0	110
2	K	28.5	Very low	27.9	Very low	199 Å²	199	165.8 Å²	165.8	87%	0.865	86%	0.864	S	S	*	*			trans	-76.4	133.1	-163	-73.3	170	176.1	173.4	0	115.3
3	R	27	Very low	27.8	Very low	236 Å²	236	165.2 Å²	165.2	89%	0.891	86%	0.86	S	S	*	*				43.4	128.2	123.6	-65.1	-175.9	173.5	177.6	-2.9	122.3
4	R	30.8	Very low	27.9	Very low	238 Å²	238	167.2 Å²	167.2	90%	0.898	86%	0.858	S	S	*	*			trans	173.3	138.4	130.2	-99.4	173.1	177.9	-179.1	-1.2	107.8
5	T	28.6	Very low	27.7	Very low	127 Å²	127	169.6 Å²	169.6	78%	0.779	86%	0.86	S	S	*	*			cis	-164.8	146.9	-15.2	2.2	0	0	0	0	107.3
6	D	25.4	Very low	27.7	Very low	157 Å²	157	171.5 Å²	171.5	84%	0.84	87%	0.865	S	S	*	*			trans	-70.6	-176.8	176.4	-50.6	-70.7	0	0	0	112.2
7	P	35.3	Very low	27.8	Very low	124 Å²	124	174.2 Å²	174.2	81%	0.805	87%	0.87	S	S	*	*			cis	-148.1	-162.3	16.4	45.1	-21.9	0	0	0	118.7
8	E	24.7	Very low	27.8	Very low	184 Å²	184	175.8 Å²	175.8	86%	0.86	87%	0.87	S	S	*	*			trans	-68.1	164.4	-169.2	-51.7	170.9	112.1	0	0	119
9	C	23.2	Very low	27.8	Very low	112 Å²	112	178.6 Å²	178.6	76%	0.757	87%	0.87	S	S	*	*			trans	59.5	119.6	138.4	-162.5	0	0	0	0	121.4
10	T	23.8	Very low	27.8	Very low	143 Å²	143	176.7 Å²	176.7	88%	0.877	87%	0.869	S	S	*	*				-173.9	159.4	121.7	19.6	0	0	0	0	112.5
11	A	26.6	Very low	27.7	Very low	82 Å²	82	172.7 Å²	172.7	68%	0.678	86%	0.864	S	S	*	*	P	Polyproline II helix	trans	-82.5	158.7	-177	0	0	0	0	0	114.1
12	P	26.9	Very low	27.2	Very low	132 Å²	132	169.3 Å²	169.3	86%	0.857	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-81.4	125.6	165.9	18.8	-7.3	0	0	0	111.6
13	I	26.8	Very low	27.2	Very low	159 Å²	159	167.2 Å²	167.2	82%	0.815	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-81.3	143.5	-178.1	-75.3	170.4	0	0	0	112.1	K15	I13-K15 PolarHBondContact O-N 2.91Å
14	K	28.3	Very low	27.1	Very low	193 Å²	193	160.1 Å²	160.1	84%	0.839	84%	0.835	S	S	*	*			trans	-33.3	124.3	163.1	-63.6	165.9	174.6	172.4	0	113.7
15	K	25.9	Very low	26.9	Very low	203 Å²	203	156 Å²	156	88%	0.883	83%	0.829	S	S	*	*			trans	-173.2	89.6	143.3	-108.3	165.6	-175.1	-179.4	0	113.2	I13	I13-K15 PolarHBondContact O-N 2.91Å
16	Q	27.4	Very low	26.6	Very low	200 Å²	200	154.8 Å²	154.8	94%	0.935	83%	0.826	S	S	*	*			trans	-175.6	60	140.6	-104.4	174.1	-2.6	0	0	111.5
17	K	28.5	Very low	27	Very low	218 Å²	218	150.6 Å²	150.6	95%	0.948	80%	0.804	S	S	*	*			trans	-116.4	74.6	159.8	-89.1	-167.8	173.5	-171.8	0	108.7
18	K	28.7	Very low	26.4	Very low	202 Å²	202	146.8 Å²	146.8	88%	0.878	78%	0.78	S	S	*	*			trans	-158.4	64.4	172	-142.8	-175.5	-173.3	-166.2	0	111.7
19	R	26.9	Very low	26.7	Very low	230 Å²	230	140.3 Å²	140.3	87%	0.868	76%	0.755	S	S	*	*	S	Bend	trans	-163.5	27.2	168.2	-119.6	175.8	-168.9	-171.2	2	115.4
20	V	27.9	Very low	27	Very low	139 Å²	139	137.2 Å²	137.2	84%	0.842	73%	0.733	S	S	*	*	S	Bend	trans	-123.2	4.5	176.8	-171.8	0	0	0	0	111.2
21	A	25.6	Very low	27.5	Very low	93 Å²	93	132.5 Å²	132.5	77%	0.769	71%	0.705	S	S	*	*	S	Bend	trans	-99.7	7.4	-171.9	0	0	0	0	0	114.6
22	E	24.6	Very low	27.8	Very low	185 Å²	185	131.9 Å²	131.9	86%	0.864	69%	0.69	S	S	*	*	S	Bend	trans	-118.4	7.3	-176.4	-79.3	173.2	144	0	0	113.7
23	L	28.3	Very low	28.2	Very low	154 Å²	154	130.5 Å²	130.5	81%	0.806	68%	0.676	S	S	*	*	S	Bend	trans	-122.4	6.8	179.7	-84.5	163.6	0	0	0	113.9	L25	L23-L25 PolarHBondContact O-N 3.34Å
24	A	24.2	Very low	28.1	Very low	88 Å²	88	132 Å²	132	73%	0.727	68%	0.679	S	S	*	*			trans	-88	80.6	175.8	0	0	0	0	0	110.3	S26	A24-S26 PolarHBondContact O-N 2.57Å
25	L	26.6	Very low	28.1	Very low	150 Å²	150	128.1 Å²	128.1	79%	0.785	67%	0.674	S	S	*	*			trans	-59.8	118.7	159.6	-79.1	167.4	0	0	0	107.7	L23 L27	L23-L25 PolarHBondContact O-N 3.34Å; L25-L27 PolarHBondContact O-N 2.88Å
26	S	23.7	Very low	28	Very low	103 Å²	103	124.6 Å²	124.6	72%	0.72	67%	0.672	S	S	*	*			trans	-71.9	92.3	-177.8	49.8	0	0	0	0	110.2	A24 S28	A24-S26 PolarHBondContact O-N 2.57Å; S26-S28 PolarHBondContact O-N 3.04Å
27	L	32.4	Very low	27.9	Very low	69 Å²	69	120.2 Å²	120.2	36%	0.361	66%	0.664	S	S	.	*			trans	-59.1	108.1	165.8	-47.9	167.1	0	0	0	107.2	L25 L302 N306 F367	L25-L27 PolarHBondContact O-N 2.88Å; L27-L302 HydrophobicContact CD1-CB 4.01Å; L27-L302 HydrophobicContact CD1-CD1 3.53Å; L27-L302 HydrophobicContact CD1-CG 4.32Å; L27-N306 VanDerWaalsContact C-ND2 3.34Å; L27-N306 PolarHBondContact O-ND2 3.13Å; L27-F367 HydrophobicContact CB-CB 4.5Å; L27-F367 HydrophobicContact CD2-CB 3.45Å; L27-F367 VanDerWaalsContact CD2-CB 3.45Å; L27-F367 HydrophobicContact CD2-CG 4.12Å
28	S	24.4	Very low	27.8	Very low	43 Å²	43	115.2 Å²	115.2	30%	0.301	66%	0.656	S	S	.	*			trans	-95.6	153.9	157.7	71.6	0	0	0	0	108.3	S26 S368	S26-S28 PolarHBondContact O-N 3.04Å; S28-S368 VanDerWaalsContact OG-CB 3.28Å; S28-S368 WeakPolarHBondContact OG-CB 3.25Å; S28-S368 PolarHBondContact OG-OG 3.47Å
29	S	29.3	Very low	27.6	Very low	48 Å²	48	110.6 Å²	110.6	34%	0.336	64%	0.644	S	S	.	*			trans	-69.3	132.1	163.6	93.3	0	0	0	0	107.6	S31 N306	S29-S31 CarbonylContact O-C 3.53Å; S29-S31 VanDerWaalsContact O-C 3.31Å; S29-S31 PolarHBondContact O-N 3.39Å; S29-S31 WeakPolarHBondContact OG-CB 3.46Å; S29-S31 PolarHBondContact OG-N 3.5Å; S29-S31 PolarHBondContact OG-O 3.18Å; S29-N306 PolarHBondContact N-ND2 2.93Å
30	T	30.3	Very low	27.5	Very low	48 Å²	48	104.9 Å²	104.9	29%	0.294	64%	0.64	S	S	.	*	S	Bend	trans	-64.4	2	173.2	54.4	0	0	0	0	113.4	D32	T30-D32 PolarHBondContact O-N 2.99Å
31	S	34.6	Very low	27.4	Very low	43 Å²	43	106.7 Å²	106.7	30%	0.301	64%	0.639	S	S	.	*	S	Bend	trans	-80.7	80.6	155.6	165.9	0	0	0	0	110	S29 D33 R235	S29-S31 CarbonylContact O-C 3.53Å; S29-S31 VanDerWaalsContact O-C 3.31Å; S29-S31 PolarHBondContact O-N 3.39Å; S29-S31 WeakPolarHBondContact OG-CB 3.46Å; S29-S31 PolarHBondContact OG-N 3.5Å; S29-S31 PolarHBondContact OG-O 3.18Å; S31-D33 PolarHBondContact O-N 3.46Å; S31-D33 VanDerWaalsContact O-N 3.09Å; S31-R235 PolarHBondContact OG-NH2 3.42Å
32	D	32.7	Very low	27.4	Very low	69 Å²	69	105.6 Å²	105.6	37%	0.369	64%	0.637	S	S	.	*			trans	-45.2	115.7	154.9	-80.9	5.6	0	0	0	109.4	T30 R215 R235	T30-D32 PolarHBondContact O-N 2.99Å; D32-R215 WeakPolarHBondContact OD2-CD 3.41Å; D32-R215 IonicContact OD2-CZ 2.73Å; D32-R215 IonicContact OD2-NE 3.78Å; D32-R215 IonicContact OD2-NH1 2.68Å; D32-R215 PolarHBondContact OD2-NH1 3.32Å; D32-R235 PolarHBondContact O-NH2 3.32Å
33	D	34.5	Very low	27.3	Very low	104 Å²	104	101.8 Å²	101.8	56%	0.556	64%	0.637	S	S	*	*			trans	164	100.2	149.4	-78.5	-33.9	0	0	0	108.7	S31 R235	S31-D33 PolarHBondContact O-N 3.46Å; S31-D33 VanDerWaalsContact O-N 3.09Å; D33-R235 IonicContact OD2-CZ 2.62Å; D33-R235 IonicContact OD2-NH1 2.69Å; D33-R235 PolarHBondContact OD2-NH1 2.98Å; D33-R235 IonicContact OD2-NH2 3.68Å
34	E	26.1	Very low	27.2	Very low	189 Å²	189	104.4 Å²	104.4	88%	0.883	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-83	141.4	156.7	-76.9	-156.1	143.6	0	0	109.7
35	P	26.9	Very low	27.2	Very low	112 Å²	112	105 Å²	105	73%	0.727	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-74.9	142.7	168	31.7	-32.6	0	0	0	110.6	S37	P35-S37 PolarHBondContact O-N 3.21Å
36	P	25.6	Very low	27	Very low	129 Å²	129	103 Å²	103	84%	0.838	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-62.5	131.6	179.7	25.4	-34	0	0	0	111.6	S38	P36-S38 PolarHBondContact O-N 2.88Å
37	S	24.8	Very low	27	Very low	109 Å²	109	103.8 Å²	103.8	76%	0.762	65%	0.646	S	S	*	*			trans	-68.5	114.1	-175	52	0	0	0	0	112.6	P35 V39	P35-S37 PolarHBondContact O-N 3.21Å; S37-V39 PolarHBondContact O-N 2.93Å; S37-V39 VanDerWaalsContact O-N 3.1Å
38	S	25.1	Very low	26.6	Very low	112 Å²	112	106.8 Å²	106.8	78%	0.783	67%	0.667	S	S	*	*			trans	-77.4	93.5	172.5	59.6	0	0	0	0	110.7	P36 S40	P36-S38 PolarHBondContact O-N 2.88Å; S38-S40 PolarHBondContact O-N 3.18Å
39	V	25.1	Very low	26.5	Very low	105 Å²	105	109.9 Å²	109.9	64%	0.636	69%	0.689	S	S	*	*			trans	-74.4	89.6	174.4	-176	0	0	0	0	110.2	S37 H41	S37-V39 PolarHBondContact O-N 2.93Å; S37-V39 VanDerWaalsContact O-N 3.1Å; V39-H41 PolarHBondContact O-N 3.05Å
40	S	24	Very low	26.3	Very low	111 Å²	111	115.6 Å²	115.6	78%	0.776	72%	0.715	S	S	*	*			trans	-83.3	90.5	169.7	62.4	0	0	0	0	110.6	S38 G42	S38-S40 PolarHBondContact O-N 3.18Å; S40-G42 PolarHBondContact O-N 2.8Å
41	H	26.5	Very low	26.1	Very low	176 Å²	176	118.5 Å²	118.5	82%	0.815	74%	0.737	S	S	*	*			trans	-72.2	94.1	169.2	-85.3	-60.6	0	0	0	110.8	V39 A43	V39-H41 PolarHBondContact O-N 3.05Å; H41-A43 PolarHBondContact O-N 2.96Å
42	G	25.1	Very low	25.6	Very low	71 Å²	71	119.9 Å²	119.9	73%	0.732	76%	0.758	S	S	*	*			trans	-67.2	118.9	168.4	0	0	0	0	0	110.9	S40	S40-G42 PolarHBondContact O-N 2.8Å
43	A	23.2	Very low	25.3	Very low	105 Å²	105	121.4 Å²	121.4	87%	0.868	77%	0.774	S	S	*	*			trans	-66.3	131.6	177.1	0	0	0	0	0	111.6	H41	H41-A43 PolarHBondContact O-N 2.96Å
44	K	25.9	Very low	24.8	Very low	209 Å²	209	123.5 Å²	123.5	91%	0.909	79%	0.786	S	S	*	*			trans	-114.8	122.9	160.4	-84.5	-174	173.7	-179.9	0	108.7
45	A	23.5	Very low	24.9	Very low	100 Å²	100	119.4 Å²	119.4	83%	0.826	78%	0.778	S	S	*	*			trans	-83	140.6	173.3	0	0	0	0	0	111.1
46	S	22.8	Very low	25	Very low	109 Å²	109	122 Å²	122	76%	0.762	78%	0.78	S	S	*	*			trans	-178.6	146.1	133.7	53.6	0	0	0	0	113.6
47	T	23.7	Very low	25.1	Very low	119 Å²	119	121.6 Å²	121.6	73%	0.73	78%	0.775	S	S	*	*			trans	66.3	86.8	154.5	51.8	0	0	0	0	121.2
48	T	24.2	Very low	25.2	Very low	131 Å²	131	125.1 Å²	125.1	80%	0.804	78%	0.78	S	S	*	*				41.8	117.3	114.1	57.5	0	0	0	0	121.6
49	S	23.7	Very low	25.3	Very low	109 Å²	109	123.3 Å²	123.3	76%	0.762	78%	0.779	S	S	*	*				-168.1	133.1	114.9	47.8	0	0	0	0	113.5
50	L	24.8	Very low	25.4	Very low	167 Å²	167	127.4 Å²	127.4	87%	0.874	79%	0.788	S	S	*	*			trans	33.2	138.3	136	-59	167	0	0	0	119.6
51	S	25.4	Very low	25.7	Very low	109 Å²	109	130.3 Å²	130.3	76%	0.762	79%	0.79	S	S	*	*			cis	-172.7	143.9	20.2	47.1	0	0	0	0	113.4
52	G	24.4	Very low	25.8	Very low	73 Å²	73	131.2 Å²	131.2	75%	0.753	79%	0.793	S	S	*	*			trans	60.8	160.8	158.7	0	0	0	0	0	118.2
53	S	25.8	Very low	25.7	Very low	100 Å²	100	132.8 Å²	132.8	70%	0.699	79%	0.794	S	S	*	*			cis	-176.5	147.5	-6.2	-95.2	0	0	0	0	107.9
54	D	25.3	Very low	26.1	Very low	149 Å²	149	132.3 Å²	132.3	80%	0.797	78%	0.784	S	S	*	*			cis	-150.4	-163.8	-8.3	-76.9	-38.7	0	0	0	109
55	S	27.4	Very low	26.1	Very low	102 Å²	102	129.5 Å²	129.5	71%	0.713	78%	0.779	S	S	*	*			trans	-84.9	163.2	176.8	44.3	0	0	0	0	113.4
56	E	28.9	Very low	26.5	Very low	167 Å²	167	129.6 Å²	129.6	78%	0.78	77%	0.773	S	S	*	*				-172.1	132.1	75.7	-90.1	-174.9	-179.3	0	0	109.7
57	T	27.1	Very low	26.8	Very low	120 Å²	120	134.5 Å²	134.5	74%	0.736	78%	0.781	S	S	*	*				56.7	141.9	92.9	60.7	0	0	0	0	115.4
58	E	28.5	Very low	27.1	Very low	183 Å²	183	136.5 Å²	136.5	86%	0.855	79%	0.787	S	S	*	*			cis	-135.5	168.6	17.8	-58.4	-178.4	114.7	0	0	111.1
59	G	26.1	Very low	27.3	Very low	74 Å²	74	137.8 Å²	137.8	76%	0.763	79%	0.789	S	S	*	*				86.8	140.2	73.7	0	0	0	0	0	112.3
60	K	27.4	Very low	27.7	Very low	191 Å²	191	136.3 Å²	136.3	83%	0.83	78%	0.783	S	S	*	*			cis	-158.2	177.3	4	-107.5	176.6	-176.2	166.6	0	111.2
61	Q	29.8	Very low	27.8	Very low	173 Å²	173	137 Å²	137	81%	0.808	78%	0.78	S	S	*	*			trans	-52.6	161.8	179.8	-59.6	150.9	-61.6	0	0	116.3
62	H	28	Very low	27.9	Very low	194 Å²	194	140.6 Å²	140.6	90%	0.898	78%	0.782	S	S	*	*			trans	-139.8	147.9	153.5	-105.3	-78.8	0	0	0	113.1
63	S	24.8	Very low	28.3	Very low	105 Å²	105	142 Å²	142	73%	0.734	79%	0.786	S	S	*	*			trans	-106.9	-178.4	179.5	53.7	0	0	0	0	112.4
64	S	30.1	Very low	28.3	Very low	94 Å²	94	145 Å²	145	66%	0.657	79%	0.794	S	S	*	*			trans	-39.8	151.3	175.3	62.4	0	0	0	0	115.8
65	D	26.6	Very low	28.7	Very low	151 Å²	151	142.3 Å²	142.3	81%	0.807	79%	0.787	S	S	*	*				-163	171.8	77.8	-84.6	-22.9	0	0	0	114.5
66	S	31.8	Very low	28.9	Very low	101 Å²	101	145.1 Å²	145.1	71%	0.706	79%	0.794	S	S	*	*			trans	-84.7	150.2	179.1	53.7	0	0	0	0	114.7
67	F	28.9	Very low	29.3	Very low	213 Å²	213	143.7 Å²	143.7	93%	0.934	80%	0.796	S	S	*	*			trans	-150.9	138.6	148.7	-97.4	-74.8	0	0	0	112
68	D	30.3	Very low	29.8	Very low	160 Å²	160	147.3 Å²	147.3	86%	0.856	80%	0.804	S	S	*	*			trans	-73.6	150.6	166	-79.5	-53.7	0	0	0	110.9
69	D	28.8	Very low	30.6	Very low	159 Å²	159	142.1 Å²	142.1	85%	0.85	80%	0.8	S	S	*	*			trans	-154.4	147.9	134.3	-145.4	-14.1	0	0	0	111.3
70	A	31.7	Very low	31.2	Very low	77 Å²	77	144.8 Å²	144.8	64%	0.636	80%	0.802	S	S	*	*			trans	-116.6	137.3	-176.4	0	0	0	0	0	110.4
71	F	26.9	Very low	32.1	Very low	182 Å²	182	138 Å²	138	80%	0.798	78%	0.779	S	S	*	*			trans	-157.2	121.9	152.6	-106	-71.1	0	0	0	114.7
72	K	26.6	Very low	33	Very low	184 Å²	184	135 Å²	135	80%	0.8	78%	0.777	S	S	*	*			trans	35.3	128.6	152.7	-71.3	177.8	-179.6	-179.5	0	121.4
73	A	32.9	Very low	34.2	Very low	103 Å²	103	134.5 Å²	134.5	85%	0.851	77%	0.767	S	S	*	*			trans	-70.2	146.7	157.1	0	0	0	0	0	111.5
74	D	26.8	Very low	35.7	Very low	162 Å²	162	133.1 Å²	133.1	87%	0.866	75%	0.746	S	S	*	*			trans	-126.9	156.5	162.4	-131.9	-26.3	0	0	0	109.9
75	S	34	Very low	36.9	Very low	93 Å²	93	133.4 Å²	133.4	65%	0.65	75%	0.748	S	S	*	*			trans	-88.2	174.7	-155	59.2	0	0	0	0	116.6
76	L	31.7	Very low	38.3	Very low	162 Å²	162	134 Å²	134	85%	0.848	75%	0.748	S	S	*	*			trans	82	137.1	172.8	-48	166.8	0	0	0	114.4
77	V	36.4	Very low	39.8	Very low	136 Å²	136	135 Å²	135	82%	0.824	74%	0.737	S	S	*	*			cis	-138.2	144.8	21.5	178.4	0	0	0	0	110.7
78	E	37.1	Very low	42	Very low	196 Å²	196	129.4 Å²	129.4	92%	0.916	72%	0.717	S	S	*	*			trans	-69.6	146.2	171.9	-64.3	171.8	116.8	0	0	112.4
79	G	46.2	Very low	44	Very low	75 Å²	75	125.6 Å²	125.6	77%	0.773	70%	0.703	S	S	*	*			trans	132.3	24.3	163.2	0	0	0	0	0	118.5
80	T	37.5	Very low	46.1	Very low	129 Å²	129	122.9 Å²	122.9	79%	0.791	69%	0.692	S	S	*	*			trans	-99	126.6	168.9	41.9	0	0	0	0	112.3
81	S	46.4	Very low	48	Very low	49 Å²	49	121.3 Å²	121.3	34%	0.343	68%	0.677	S	S	.	*			trans	-58.3	147.2	175.9	-178.6	0	0	0	0	112	R83 E102	S81-R83 PolarHBondContact O-N 3.21Å; S81-E102 WeakPolarHBondContact CB-OE1 3.31Å
82	S	49.1	Very low	50.1	Low	111 Å²	111	116.4 Å²	116.4	78%	0.776	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.2	5.9	-170.8	56.8	0	0	0	0	116.2
83	R	54.2	Low	52.3	Low	182 Å²	182	115.4 Å²	115.4	69%	0.687	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.4	-17	-176.6	-59.8	-175.8	-167.8	171	5.7	115	S81	S81-R83 PolarHBondContact O-N 3.21Å
84	Y	55.3	Low	54.2	Low	76 Å²	76	115.9 Å²	115.9	30%	0.298	64%	0.639	S	S	.	*			trans	-106.2	9.8	-173.1	-70	-81.9	0	0	0	114.9	M86 Y87 Q92 F100 E102	Y84-M86 PolarHBondContact O-N 2.75Å; Y84-Y87 AromaticContact CD1-CD2 3.95Å; Y84-Y87 HydrophobicContact CD1-CD2 3.95Å; Y84-Y87 AromaticContact CD1-CE2 3.89Å; Y84-Y87 HydrophobicContact CD1-CE2 3.89Å; Y84-Y87 HydrophobicContact CE1-CE2 4.39Å; Y84-Y87 PolarHBondContact O-N 2.65Å; Y84-Q92 PolarHBondContact O-NE2 3.43Å; Y84-F100 HydrophobicContact CE1-CE1 4.41Å; Y84-F100 HydrophobicContact CE1-CZ 4.3Å; Y84-E102 HydrophobicContact CE2-CG 4.03Å
85	S	55.3	Low	56.3	Low	100 Å²	100	110.4 Å²	110.4	70%	0.699	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.5	-15.6	176.5	57.4	0	0	0	0	114.5	Y87	S85-Y87 VanDerWaalsContact C-N 3.29Å; S85-Y87 PolarHBondContact O-N 3.07Å
86	M	55.5	Low	58	Low	165 Å²	165	109.2 Å²	109.2	81%	0.813	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.8	-13.3	176.8	-70.9	-178.1	-80.3	0	0	114.1	Y84	Y84-M86 PolarHBondContact O-N 2.75Å
87	Y	63.9	Low	59.9	Low	121 Å²	121	110.4 Å²	110.4	48%	0.475	60%	0.603	S	S	.	*	S	Bend	trans	-98.5	137.3	178.1	-62.8	-77.2	0	0	0	111.2	Y84 S85 Q92 M95	Y84-Y87 AromaticContact CD1-CD2 3.95Å; Y84-Y87 HydrophobicContact CD1-CD2 3.95Å; Y84-Y87 AromaticContact CD1-CE2 3.89Å; Y84-Y87 HydrophobicContact CD1-CE2 3.89Å; Y84-Y87 HydrophobicContact CE1-CE2 4.39Å; Y84-Y87 PolarHBondContact O-N 2.65Å; S85-Y87 VanDerWaalsContact C-N 3.29Å; S85-Y87 PolarHBondContact O-N 3.07Å; Y87-Q92 PolarHBondContact O-NE2 2.95Å; Y87-M95 HydrophobicContact CD2-CE 4.47Å; Y87-M95 HydrophobicContact CG-CE 4.18Å
88	N	75.4	Confident	61.3	Low	96 Å²	96	109.8 Å²	109.8	51%	0.513	59%	0.593	S	S	.	*			trans	-67.1	160.5	178.3	78.2	41	0	0	0	112.1	V90 S91 Q92	N88-V90 PolarHBondContact O-N 2.74Å; N88-V90 WeakPolarHBondContact OD1-CA 3.43Å; N88-V90 WeakPolarHBondContact OD1-CB 3.4Å; N88-V90 PolarHBondContact OD1-N 2.73Å; N88-S91 WeakPolarHBondContact O-CB 3.09Å; N88-S91 PolarHBondContact O-N 2.75Å; N88-S91 VanDerWaalsContact O-N 3.13Å; N88-S91 PolarHBondContact OD1-N 2.81Å; N88-S91 PolarHBondContact OD1-OG 3.48Å; N88-Q92 PolarHBondContact O-N 3.34Å
89	S	71.8	Confident	62.8	Low	79 Å²	79	101.8 Å²	101.8	55%	0.552	56%	0.563	S	S	*	*	H	α-helix	trans	-62.4	-24.8	-175.4	58	0	0	0	0	114.1	K93	S89-K93 WeakPolarHBondContact O-CG 3.21Å; S89-K93 PolarHBondContact O-N 3.4Å
90	V	73.8	Confident	63.8	Low	102 Å²	102	101.1 Å²	101.1	62%	0.618	54%	0.539	S	S	*	.	H	α-helix	trans	-73.5	-46.6	174.8	-176.3	0	0	0	0	110.1	N88 Q92 K93 L94	N88-V90 PolarHBondContact O-N 2.74Å; N88-V90 WeakPolarHBondContact OD1-CA 3.43Å; N88-V90 WeakPolarHBondContact OD1-CB 3.4Å; N88-V90 PolarHBondContact OD1-N 2.73Å; V90-Q92 VanDerWaalsContact C-N 3.33Å; V90-Q92 PolarHBondContact O-N 3.01Å; V90-K93 PolarHBondContact O-N 2.8Å; V90-L94 WeakPolarHBondContact O-CB 3.48Å; V90-L94 PolarHBondContact O-N 3.08Å
91	S	71.3	Confident	65.1	Low	45 Å²	45	102.7 Å²	102.7	32%	0.315	53%	0.53	S	S	.	.	H	α-helix	trans	-58.8	-43.2	175	-60	0	0	0	0	111.8	N88 L94 M95	N88-S91 WeakPolarHBondContact O-CB 3.09Å; N88-S91 PolarHBondContact O-N 2.75Å; N88-S91 VanDerWaalsContact O-N 3.13Å; N88-S91 PolarHBondContact OD1-N 2.81Å; N88-S91 PolarHBondContact OD1-OG 3.48Å; S91-L94 PolarHBondContact O-N 3.42Å; S91-M95 WeakPolarHBondContact O-CG 3.3Å; S91-M95 PolarHBondContact O-N 2.84Å
92	Q	70.6	Confident	65.9	Low	79 Å²	79	105.4 Å²	105.4	37%	0.369	54%	0.537	S	S	.	.	H	α-helix	trans	-61.5	-46.4	176.4	-68.5	178.7	-3.9	0	0	112.1	Y84 Y87 N88 V90 L94 M95 A96	Y84-Q92 PolarHBondContact O-NE2 3.43Å; Y87-Q92 PolarHBondContact O-NE2 2.95Å; N88-Q92 PolarHBondContact O-N 3.34Å; V90-Q92 VanDerWaalsContact C-N 3.33Å; V90-Q92 PolarHBondContact O-N 3.01Å; Q92-L94 VanDerWaalsContact C-N 3.32Å; Q92-L94 PolarHBondContact O-N 2.98Å; Q92-M95 HydrophobicContact CG-CE 4.37Å; Q92-M95 PolarHBondContact O-N 3.17Å; Q92-A96 PolarHBondContact O-N 3.29Å
93	K	72.8	Confident	66.7	Low	163 Å²	163	102.1 Å²	102.1	71%	0.709	52%	0.521	S	S	*	.	H	α-helix	trans	-62.2	-37	174.3	-75.7	178.6	178.5	-179.7	0	112.6	S89 V90 K97	S89-K93 WeakPolarHBondContact O-CG 3.21Å; S89-K93 PolarHBondContact O-N 3.4Å; V90-K93 PolarHBondContact O-N 2.8Å; K93-K97 WeakPolarHBondContact O-CB 3.4Å; K93-K97 PolarHBondContact O-N 2.89Å
94	L	73.6	Confident	67.4	Low	113 Å²	113	97 Å²	97	59%	0.592	51%	0.505	S	S	*	.	H	α-helix	trans	-67.9	-45.5	177.9	-149.6	86.7	0	0	0	111.6	V90 S91 Q92 K97 M98	V90-L94 WeakPolarHBondContact O-CB 3.48Å; V90-L94 PolarHBondContact O-N 3.08Å; S91-L94 PolarHBondContact O-N 3.42Å; Q92-L94 VanDerWaalsContact C-N 3.32Å; Q92-L94 PolarHBondContact O-N 2.98Å; L94-K97 PolarHBondContact O-N 3.11Å; L94-M98 VanDerWaalsContact O-CG 3.28Å; L94-M98 WeakPolarHBondContact O-CG 3.39Å; L94-M98 PolarHBondContact O-N 3.28Å
95	M	69.7	Low	67.8	Low	47 Å²	47	93.5 Å²	93.5	23%	0.232	49%	0.492	C	S	.	.	H	α-helix	trans	-60.2	-46.5	176.8	-72.3	-175.4	-70.5	0	0	111.3	Y87 S91 Q92 K97 M98 G99 F100	Y87-M95 HydrophobicContact CD2-CE 4.47Å; Y87-M95 HydrophobicContact CG-CE 4.18Å; S91-M95 WeakPolarHBondContact O-CG 3.3Å; S91-M95 PolarHBondContact O-N 2.84Å; Q92-M95 HydrophobicContact CG-CE 4.37Å; Q92-M95 PolarHBondContact O-N 3.17Å; M95-K97 PolarHBondContact O-N 2.84Å; M95-M98 PolarHBondContact O-N 2.72Å; M95-M98 VanDerWaalsContact O-N 3.17Å; M95-G99 PolarHBondContact O-N 3.46Å; M95-F100 HydrophobicContact CB-CB 3.97Å; M95-F100 HydrophobicContact CB-CD1 4.29Å; M95-F100 HydrophobicContact CB-CG 4.29Å; M95-F100 WeakPolarHBondContact O-CB 3.49Å; M95-F100 PolarHBondContact O-N 2.83Å
96	A	70	Confident	68.5	Low	67 Å²	67	93.3 Å²	93.3	55%	0.554	48%	0.482	S	S	*	.	H	α-helix	trans	-59.3	-43.5	175	0	0	0	0	0	112.4	Q92 M98 G99	Q92-A96 PolarHBondContact O-N 3.29Å; A96-M98 PolarHBondContact O-N 2.98Å; A96-G99 PolarHBondContact O-N 3.03Å; A96-G99 VanDerWaalsContact O-N 3.09Å
97	K	72.8	Confident	68.9	Low	187 Å²	187	85.9 Å²	85.9	81%	0.813	45%	0.448	S	S	*	.	H	α-helix	trans	-66	-24.4	178.1	-164.9	174.6	-176.3	-179.7	0	113.3	K93 L94 M95 G99	K93-K97 WeakPolarHBondContact O-CB 3.4Å; K93-K97 PolarHBondContact O-N 2.89Å; L94-K97 PolarHBondContact O-N 3.11Å; M95-K97 PolarHBondContact O-N 2.84Å; K97-G99 VanDerWaalsContact C-N 3.33Å
98	M	66.2	Low	68.9	Low	123 Å²	123	88 Å²	88	61%	0.606	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	5.3	175.4	-63.7	-67.3	-93.9	0	0	113.5	L94 M95 A96 G107	L94-M98 VanDerWaalsContact O-CG 3.28Å; L94-M98 WeakPolarHBondContact O-CG 3.39Å; L94-M98 PolarHBondContact O-N 3.28Å; M95-M98 PolarHBondContact O-N 2.72Å; M95-M98 VanDerWaalsContact O-N 3.17Å; A96-M98 PolarHBondContact O-N 2.98Å; M98-G107 CarbonylContact O-C 3.53Å; M98-G107 WeakPolarHBondContact O-CA 3.49Å
99	G	66.8	Low	68.5	Low	28 Å²	28	92 Å²	92	29%	0.289	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.8	15.8	175.5	0	0	0	0	0	115.2	M95 A96 K97 R101	M95-G99 PolarHBondContact O-N 3.46Å; A96-G99 PolarHBondContact O-N 3.03Å; A96-G99 VanDerWaalsContact O-N 3.09Å; K97-G99 VanDerWaalsContact C-N 3.33Å; G99-R101 PolarHBondContact O-N 2.93Å
100	F	67.1	Low	68.2	Low	61 Å²	61	90.4 Å²	90.4	27%	0.268	46%	0.458	S	S	.	.			trans	-59.3	135.5	177.3	-176	-114.2	0	0	0	112.3	Y84 M95 L106	Y84-F100 HydrophobicContact CE1-CE1 4.41Å; Y84-F100 HydrophobicContact CE1-CZ 4.3Å; M95-F100 HydrophobicContact CB-CB 3.97Å; M95-F100 HydrophobicContact CB-CD1 4.29Å; M95-F100 HydrophobicContact CB-CG 4.29Å; M95-F100 WeakPolarHBondContact O-CB 3.49Å; M95-F100 PolarHBondContact O-N 2.83Å; F100-L106 HydrophobicContact CB-CD1 3.81Å; F100-L106 HydrophobicContact CD2-CD1 3.82Å; F100-L106 HydrophobicContact CG-CD1 4.14Å
101	R	66.7	Low	67.8	Low	163 Å²	163	91.6 Å²	91.6	62%	0.615	46%	0.457	S	S	*	.			trans	-129.4	141.3	171.3	-67.3	175.8	173.5	-173.2	-1.6	108.9	G99 G103 E104	G99-R101 PolarHBondContact O-N 2.93Å; R101-G103 PolarHBondContact O-N 3.12Å; R101-E104 HydrophobicContact CB-CB 4.18Å; R101-E104 HydrophobicContact CB-CG 4.38Å; R101-E104 WeakPolarHBondContact CD-OE2 3.3Å; R101-E104 PolarHBondContact O-N 2.65Å
102	E	63.2	Low	67.4	Low	106 Å²	106	90.7 Å²	90.7	50%	0.495	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	121.4	-177.6	-171.1	170.1	-178.2	0	0	110.3	S81 Y84	S81-E102 WeakPolarHBondContact CB-OE1 3.31Å; Y84-E102 HydrophobicContact CE2-CG 4.03Å
103	G	65.5	Low	67	Low	41 Å²	41	93.9 Å²	93.9	42%	0.423	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.8	9.6	-176.2	0	0	0	0	0	115.9	R101 K114	R101-G103 PolarHBondContact O-N 3.12Å; G103-K114 VanDerWaalsContact O-CD 3.32Å; G103-K114 WeakPolarHBondContact O-CD 3.45Å; G103-K114 WeakPolarHBondContact O-CE 3.49Å; G103-K114 PolarHBondContact O-NZ 3.37Å
104	E	67.5	Low	66.4	Low	75 Å²	75	93.1 Å²	93.1	35%	0.35	46%	0.46	S	S	.	.	S	Bend	trans	-121.5	164.3	173.9	-68.9	-174.3	-173.9	0	0	112.5	R101 S110	R101-E104 HydrophobicContact CB-CB 4.18Å; R101-E104 HydrophobicContact CB-CG 4.38Å; R101-E104 WeakPolarHBondContact CD-OE2 3.3Å; R101-E104 PolarHBondContact O-N 2.65Å; E104-S110 WeakPolarHBondContact OE2-CB 3.34Å; E104-S110 PolarHBondContact OE2-OG 3.38Å
105	G	65.1	Low	65.6	Low	3 Å²	3	93 Å²	93	3%	0.031	46%	0.46	C	S	.	.			trans	-69.4	147.3	177.3	0	0	0	0	0	113.3	G107 S110 G112	G105-G107 PolarHBondContact O-N 2.81Å; G105-S110 WeakPolarHBondContact O-CA 3.39Å; G105-G112 VanDerWaalsContact CA-O 3.26Å; G105-G112 WeakPolarHBondContact CA-O 3.48Å
106	L	70.1	Confident	65.1	Low	95 Å²	95	98.1 Å²	98.1	50%	0.497	49%	0.486	S	S	.	.	S	Bend	trans	-66.7	114.3	179.1	-166.1	76.1	0	0	0	112.1	F100 G112	F100-L106 HydrophobicContact CB-CD1 3.81Å; F100-L106 HydrophobicContact CD2-CD1 3.82Å; F100-L106 HydrophobicContact CG-CD1 4.14Å; L106-G112 WeakPolarHBondContact O-CA 3.4Å; L106-G112 PolarHBondContact O-N 3.49Å
107	G	63.4	Low	64.3	Low	10 Å²	10	100.1 Å²	100.1	10%	0.103	49%	0.492	C	S	.	.	S	Bend	trans	150.3	164.3	171.5	0	0	0	0	0	113.6	M98 G105 Y109 S110	M98-G107 CarbonylContact O-C 3.53Å; M98-G107 WeakPolarHBondContact O-CA 3.49Å; G105-G107 PolarHBondContact O-N 2.81Å; G107-Y109 PolarHBondContact O-N 3.15Å; G107-Y109 VanDerWaalsContact O-N 3.09Å; G107-S110 PolarHBondContact O-N 2.86Å
108	K	63.7	Low	63.4	Low	164 Å²	164	98.5 Å²	98.5	71%	0.713	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-24.5	-175.4	-170.9	179.3	178	-172	0	115.1
109	Y	67.6	Low	62.5	Low	181 Å²	181	97.2 Å²	97.2	71%	0.71	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.5	25	177.7	-52.2	-66.1	0	0	0	111.5	G107 Q111	G107-Y109 PolarHBondContact O-N 3.15Å; G107-Y109 VanDerWaalsContact O-N 3.09Å; Y109-Q111 PolarHBondContact O-N 3.16Å; Y109-Q111 VanDerWaalsContact O-N 3.13Å
110	S	65.8	Low	61.5	Low	45 Å²	45	100 Å²	100	32%	0.315	51%	0.511	S	S	.	.	S	Bend	trans	60.2	23.5	179.7	-44.2	0	0	0	0	113.8	E104 G105 G107 G112	E104-S110 WeakPolarHBondContact OE2-CB 3.34Å; E104-S110 PolarHBondContact OE2-OG 3.38Å; G105-S110 WeakPolarHBondContact O-CA 3.39Å; G107-S110 PolarHBondContact O-N 2.86Å; S110-G112 VanDerWaalsContact C-N 3.31Å; S110-G112 PolarHBondContact O-N 3.39Å
111	Q	65.2	Low	60.5	Low	127 Å²	127	102.7 Å²	102.7	59%	0.593	54%	0.538	S	S	*	.			trans	-78.7	-4.5	-170.4	74.4	-89	23.5	0	0	115.5	Y109	Y109-Q111 PolarHBondContact O-N 3.16Å; Y109-Q111 VanDerWaalsContact O-N 3.13Å
112	G	63.3	Low	59.8	Low	26 Å²	26	97.5 Å²	97.5	27%	0.268	52%	0.52	S	S	.	.	S	Bend	trans	-69.7	163.5	173.4	0	0	0	0	0	111.8	G105 L106 S110 K114	G105-G112 VanDerWaalsContact CA-O 3.26Å; G105-G112 WeakPolarHBondContact CA-O 3.48Å; L106-G112 WeakPolarHBondContact O-CA 3.4Å; L106-G112 PolarHBondContact O-N 3.49Å; S110-G112 VanDerWaalsContact C-N 3.31Å; S110-G112 PolarHBondContact O-N 3.39Å; G112-K114 PolarHBondContact O-N 3.4Å
113	R	62	Low	59.4	Low	146 Å²	146	97.4 Å²	97.4	55%	0.551	52%	0.518	S	S	*	.			trans	-66.8	127.5	173.7	-160.5	174.8	-174.4	174.4	-2.7	109.1	E118	R113-E118 IonicContact NH2-OE2 2.6Å; R113-E118 PolarHBondContact NH2-OE2 3.08Å
114	K	58.4	Low	59	Low	147 Å²	147	97.7 Å²	97.7	64%	0.639	52%	0.521	S	S	*	.			trans	-83.2	-35.1	177.2	173.2	170.9	170.9	151.8	0	111.9	G103 G112	G103-K114 VanDerWaalsContact O-CD 3.32Å; G103-K114 WeakPolarHBondContact O-CD 3.45Å; G103-K114 WeakPolarHBondContact O-CE 3.49Å; G103-K114 PolarHBondContact O-NZ 3.37Å; G112-K114 PolarHBondContact O-N 3.4Å
115	D	57.4	Low	58.4	Low	110 Å²	110	105.6 Å²	105.6	59%	0.588	55%	0.548	S	S	*	.	S	Bend	trans	-79.8	150.9	-179.4	-46.3	-62.7	0	0	0	111.2	V117	D115-V117 PolarHBondContact O-N 3.33Å
116	I	59.8	Low	58	Low	155 Å²	155	107.8 Å²	107.8	80%	0.795	56%	0.555	S	S	*	*			trans	-54.2	134.7	168.3	-63.4	172.2	0	0	0	107.7	E118	I116-E118 PolarHBondContact O-N 2.93Å
117	V	53.5	Low	57	Low	110 Å²	110	105.4 Å²	105.4	67%	0.667	55%	0.554	S	S	*	*			trans	-60.7	110.1	170.9	179.1	0	0	0	0	107	D115 A119	D115-V117 PolarHBondContact O-N 3.33Å; V117-A119 PolarHBondContact O-N 3.02Å
118	E	52.4	Low	56.3	Low	152 Å²	152	113.1 Å²	113.1	71%	0.71	59%	0.591	S	S	*	*			trans	-48.8	131	178.2	-69.2	166.9	135.2	0	0	109.5	R113 I116 S120	R113-E118 IonicContact NH2-OE2 2.6Å; R113-E118 PolarHBondContact NH2-OE2 3.08Å; I116-E118 PolarHBondContact O-N 2.93Å; E118-S120 PolarHBondContact O-N 3.38Å
119	A	47.8	Very low	55.7	Low	97 Å²	97	108.5 Å²	108.5	80%	0.802	59%	0.59	S	S	*	*			trans	-56.4	128.9	175.9	0	0	0	0	0	108.2	V117 S121	V117-A119 PolarHBondContact O-N 3.02Å; A119-S121 PolarHBondContact O-N 2.89Å
120	S	45.5	Very low	54.8	Low	85 Å²	85	104.5 Å²	104.5	59%	0.594	58%	0.581	S	S	*	*			trans	-51.7	113.8	-175.4	-178.6	0	0	0	0	110.7	E118 Q122	E118-S120 PolarHBondContact O-N 3.38Å; S120-Q122 PolarHBondContact O-N 3.49Å; S120-Q122 WeakPolarHBondContact OG-CB 3.43Å; S120-Q122 PolarHBondContact OG-N 2.67Å
121	S	46.3	Very low	54.3	Low	119 Å²	119	107 Å²	107	83%	0.832	60%	0.595	S	S	*	*			trans	-70.8	-3.8	169.4	53.2	0	0	0	0	112.4	A119 K123	A119-S121 PolarHBondContact O-N 2.89Å; S121-K123 PolarHBondContact O-N 3.29Å
122	Q	53	Low	54	Low	53 Å²	53	102.9 Å²	102.9	25%	0.248	58%	0.576	C	S	.	*			trans	-79.8	112.6	-173	-141.7	-178.5	-8.9	0	0	111	S120 G127 L130	S120-Q122 PolarHBondContact O-N 3.49Å; S120-Q122 WeakPolarHBondContact OG-CB 3.43Å; S120-Q122 PolarHBondContact OG-N 2.67Å; Q122-G127 PolarHBondContact NE2-O 2.61Å; Q122-G127 PolarHBondContact OE1-O 3.42Å; Q122-L130 VanDerWaalsContact NE2-N 3.13Å; Q122-L130 PolarHBondContact NE2-O 3.2Å
123	K	54.6	Low	53.5	Low	105 Å²	105	113.3 Å²	113.3	46%	0.457	61%	0.608	S	S	.	*			trans	-77.9	126.9	179.7	-65.4	162.9	169.9	-179.9	0	110.6	S121 Q519	S121-K123 PolarHBondContact O-N 3.29Å; K123-Q519 WeakPolarHBondContact CB-O 3.17Å; K123-Q519 HydrophobicContact CD-CB 4.18Å; K123-Q519 WeakPolarHBondContact CD-O 3.29Å; K123-Q519 WeakPolarHBondContact CG-O 3.46Å
124	G	55.9	Low	53.2	Low	46 Å²	46	108.7 Å²	108.7	47%	0.474	61%	0.605	S	S	.	*	S	Bend	trans	90.8	-170.3	172	0	0	0	0	0	116.7	R126	G124-R126 PolarHBondContact O-N 2.98Å
125	R	54.9	Low	53.3	Low	242 Å²	242	101.8 Å²	101.8	91%	0.913	58%	0.575	S	S	*	*	S	Bend	trans	-92.7	23.2	-174.7	-69.4	-170.9	178.8	-175.6	0.6	114.1	G127	R125-G127 PolarHBondContact O-N 3.46Å
126	R	57.4	Low	53.3	Low	48 Å²	48	100.7 Å²	100.7	18%	0.181	57%	0.569	C	S	.	*	S	Bend	trans	-75.2	7.3	-165.3	-68.5	175.7	174.7	178.1	-7.2	116.2	G124 L130 E213	G124-R126 PolarHBondContact O-N 2.98Å; R126-L130 HydrophobicContact CB-CD2 4.37Å; R126-L130 WeakPolarHBondContact O-CB 3.18Å; R126-E213 IonicContact CZ-OE1 2.7Å; R126-E213 IonicContact CZ-OE2 3.74Å; R126-E213 IonicContact NE-OE1 2.72Å; R126-E213 PolarHBondContact NE-OE1 3.28Å; R126-E213 IonicContact NE-OE2 2.82Å; R126-E213 PolarHBondContact NE-OE2 2.82Å; R126-E213 IonicContact NH2-OE1 3.68Å; R126-E213 IonicContact NH2-OE2 3.71Å; R126-E213 PolarHBondContact NH2-OE2 3Å
127	G	49.7	Very low	53.3	Low	46 Å²	46	100.1 Å²	100.1	47%	0.474	56%	0.563	S	S	.	*			trans	74.6	156.1	-176.2	0	0	0	0	0	113.1	Q122 R125 G129	Q122-G127 PolarHBondContact NE2-O 2.61Å; Q122-G127 PolarHBondContact OE1-O 3.42Å; R125-G127 PolarHBondContact O-N 3.46Å; G127-G129 PolarHBondContact O-N 2.96Å
128	L	48.1	Very low	53.6	Low	171 Å²	171	102.6 Å²	102.6	90%	0.895	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.4	120.1	-177.3	-69.6	168.2	0	0	0	110.9
129	G	50.3	Low	54.5	Low	67 Å²	67	97.2 Å²	97.2	69%	0.691	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.6	-2	170.5	0	0	0	0	0	117.3	G127	G127-G129 PolarHBondContact O-N 2.96Å
130	L	50.6	Low	55.8	Low	97 Å²	97	100.8 Å²	100.8	51%	0.508	55%	0.549	S	S	.	.			trans	-84.6	115.6	173.6	-170.3	67.4	0	0	0	111.8	Q122 R126	Q122-L130 VanDerWaalsContact NE2-N 3.13Å; Q122-L130 PolarHBondContact NE2-O 3.2Å; R126-L130 HydrophobicContact CB-CD2 4.37Å; R126-L130 WeakPolarHBondContact O-CB 3.18Å
131	T	54.8	Low	57.6	Low	99 Å²	99	98.6 Å²	98.6	61%	0.607	53%	0.532	S	S	*	.			trans	-119.3	129	171.9	42.1	0	0	0	0	110.5	R133	T131-R133 PolarHBondContact O-N 3.45Å
132	L	58.9	Low	59.6	Low	40 Å²	40	97.9 Å²	97.9	21%	0.209	52%	0.519	C	S	.	.			trans	-87.6	100	177.2	-67.3	-178.2	0	0	0	109.2	G134 F135 L209	L132-G134 PolarHBondContact O-N 3.34Å; L132-G134 VanDerWaalsContact O-N 3.15Å; L132-F135 HydrophobicContact CB-CB 3.88Å; L132-F135 PolarHBondContact O-N 3.22Å; L132-F135 VanDerWaalsContact O-N 3.12Å; L132-L209 HydrophobicContact CD1-CD1 4.21Å
133	R	51.8	Low	61.3	Low	245 Å²	245	97.2 Å²	97.2	93%	0.925	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	120.6	178.1	-69.5	-174.6	177.6	-170.8	-0.6	110.4	T131	T131-R133 PolarHBondContact O-N 3.45Å
134	G	55.6	Low	62.9	Low	48 Å²	48	100.6 Å²	100.6	50%	0.495	52%	0.524	S	S	.	.	T	Hydrogen-bonded Turn	trans	98.6	-29.3	178.8	0	0	0	0	0	114.8	L132 D136 Q137	L132-G134 PolarHBondContact O-N 3.34Å; L132-G134 VanDerWaalsContact O-N 3.15Å; G134-D136 PolarHBondContact O-N 3.2Å; G134-Q137 PolarHBondContact O-N 2.85Å
135	F	61.4	Low	64.4	Low	3 Å²	3	104 Å²	104	1%	0.013	53%	0.531	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-25.5	-176.2	-167.1	-93.3	0	0	0	113.8	L132 Q137 V205 F206 V208 L209 H515 V518 Q519	L132-F135 HydrophobicContact CB-CB 3.88Å; L132-F135 PolarHBondContact O-N 3.22Å; L132-F135 VanDerWaalsContact O-N 3.12Å; F135-Q137 PolarHBondContact O-N 3.1Å; F135-V205 HydrophobicContact CD2-CG1 4Å; F135-V205 WeakPolarHBondContact CD2-O 3.31Å; F135-V205 HydrophobicContact CE2-CG1 3.79Å; F135-F206 HydrophobicContact CE2-CD1 4.49Å; F135-V208 HydrophobicContact CB-CG2 4.45Å; F135-V208 HydrophobicContact CD2-CG2 4.26Å; F135-L209 HydrophobicContact CD1-CD1 4.1Å; F135-L209 HydrophobicContact CD2-CD1 3.71Å; F135-L209 HydrophobicContact CE1-CD1 3.79Å; F135-L209 HydrophobicContact CE2-CD1 3.38Å; F135-L209 HydrophobicContact CG-CD1 4.07Å; F135-L209 HydrophobicContact CZ-CD1 3.42Å; F135-L209 VanDerWaalsContact CZ-CD1 3.42Å; F135-H515 AromaticContact CE1-CD2 3.84Å; F135-H515 AromaticContact CE1-NE2 3.99Å; F135-H515 AromaticContact CE2-CD2 3.46Å; F135-H515 VanDerWaalsContact CE2-CD2 3.46Å; F135-H515 WeakPolarHBondContact CE2-CD2 3.41Å; F135-H515 AromaticContact CZ-CD2 3.28Å; F135-H515 WeakPolarHBondContact CZ-CD2 3.47Å; F135-H515 AromaticContact CZ-NE2 3.88Å; F135-H515 PolarHBondContact O-NE2 3.4Å; F135-V518 HydrophobicContact CE1-CB 4.13Å; F135-V518 HydrophobicContact CE1-CG1 3.58Å; F135-V518 HydrophobicContact CZ-CB 4.02Å; F135-V518 HydrophobicContact CZ-CG1 3.77Å; F135-V518 HydrophobicContact CZ-CG2 4.45Å; F135-Q519 HydrophobicContact CE1-CG 4.19Å; F135-Q519 PolarHBondContact O-NE2 2.94Å
136	D	56.4	Low	66	Low	86 Å²	86	95.6 Å²	95.6	46%	0.46	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	1.1	179.1	-63	-43.9	0	0	0	113.6	G134	G134-D136 PolarHBondContact O-N 3.2Å
137	Q	60.3	Low	67.5	Low	144 Å²	144	98.3 Å²	98.3	67%	0.673	53%	0.526	S	S	*	.	S	Bend	trans	-71.6	137.9	170.1	-66.4	-178	-6.5	0	0	110.1	G134 F135 H515	G134-Q137 PolarHBondContact O-N 2.85Å; F135-Q137 PolarHBondContact O-N 3.1Å; Q137-H515 PolarHBondContact O-CE1 3Å
138	E	60	Low	69.5	Low	162 Å²	162	103.2 Å²	103.2	76%	0.757	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-73.8	133.8	172.4	-67.1	-174.6	161.8	0	0	109.8
139	L	71	Confident	71.7	Confident	39 Å²	39	96.2 Å²	96.2	20%	0.204	50%	0.502	C	S	.	.	P	Polyproline II helix	trans	-76	126.4	167.8	-73.2	169.3	0	0	0	108.3	V141 V205 A512 H515	L139-V141 PolarHBondContact O-N 3.39Å; L139-V205 HydrophobicContact CD2-CG2 4.32Å; L139-A512 HydrophobicContact CB-CB 4.46Å; L139-A512 HydrophobicContact CD1-CB 4.09Å; L139-H515 HydrophobicContact CD1-CB 3.88Å
140	N	74.9	Confident	73.9	Confident	171 Å²	171	95.6 Å²	95.6	91%	0.914	49%	0.486	S	S	*	.	S	Bend	trans	-74.2	48.1	178.7	-65.6	-30.6	0	0	0	112.2
141	V	84.1	Confident	76	Confident	40 Å²	40	91.3 Å²	91.3	24%	0.242	47%	0.465	C	S	.	.			trans	-130.8	113.5	-173.9	176.4	0	0	0	0	108.7	L139 W143 I508 K509 A512	L139-V141 PolarHBondContact O-N 3.39Å; V141-W143 PolarHBondContact O-N 3.4Å; V141-I508 HydrophobicContact CB-CG2 4.47Å; V141-I508 HydrophobicContact CG1-CG2 3.81Å; V141-I508 HydrophobicContact CG2-CG2 3.8Å; V141-K509 HydrophobicContact CG1-CG 4.27Å; V141-A512 HydrophobicContact CB-CB 3.8Å; V141-A512 HydrophobicContact CG1-CB 3.72Å
142	D	87.3	Confident	77.9	Confident	103 Å²	103	91.3 Å²	91.3	55%	0.551	47%	0.468	S	S	*	.			trans	-78	103.2	171	-167.4	-3.1	0	0	0	110.4	R144 K509	D142-R144 WeakPolarHBondContact OD1-CB 3.42Å; D142-R144 PolarHBondContact OD1-N 3.3Å; D142-K509 WeakPolarHBondContact O-CE 3.07Å
143	W	89.6	Confident	79.7	Confident	39 Å²	39	91.3 Å²	91.3	15%	0.148	47%	0.467	C	S	.	.			trans	-86.1	-9.5	173.8	60.8	-95.7	0	0	0	113.3	V141 E146 K509 K513 A516 F517 L523	V141-W143 PolarHBondContact O-N 3.4Å; W143-E146 WeakPolarHBondContact O-CG 3.18Å; W143-K509 HydrophobicContact CB-CB 4.41Å; W143-K509 WeakPolarHBondContact CB-O 3.21Å; W143-K513 HydrophobicContact CB-CB 4.02Å; W143-K513 HydrophobicContact CD2-CB 3.94Å; W143-K513 HydrophobicContact CD2-CG 3.9Å; W143-K513 HydrophobicContact CE3-CB 4.11Å; W143-K513 HydrophobicContact CE3-CD 3.86Å; W143-K513 HydrophobicContact CE3-CG 3.62Å; W143-K513 HydrophobicContact CG-CB 3.91Å; W143-K513 HydrophobicContact CG-CG 4.41Å; W143-K513 HydrophobicContact CZ3-CD 4.26Å; W143-K513 HydrophobicContact CZ3-CG 4.01Å; W143-A516 HydrophobicContact CZ2-CB 3.88Å; W143-F517 AromaticContact CH2-CE2 3.86Å; W143-F517 HydrophobicContact CH2-CE2 3.86Å; W143-F517 HydrophobicContact CZ2-CE2 4.43Å; W143-F517 HydrophobicContact CZ3-CE2 4.16Å; W143-L523 HydrophobicContact CH2-CD1 4.4Å; W143-L523 HydrophobicContact CZ2-CD1 4.23Å
144	R	87.9	Confident	81.8	Confident	176 Å²	176	88.5 Å²	88.5	66%	0.664	46%	0.464	S	S	*	.	S	Bend	trans	-81.1	-23	-178.7	-62.4	-178.6	175.2	-174.6	0.2	112.5	D142 E146	D142-R144 WeakPolarHBondContact OD1-CB 3.42Å; D142-R144 PolarHBondContact OD1-N 3.3Å; R144-E146 PolarHBondContact O-N 3.16Å
145	D	87.1	Confident	83.8	Confident	117 Å²	117	88.4 Å²	88.4	63%	0.626	45%	0.454	S	S	*	.	S	Bend	trans	-76.2	52.1	166	-176.6	53.8	0	0	0	111.1	K509	D145-K509 PolarHBondContact O-NZ 2.78Å; D145-K509 IonicContact OD2-NZ 3.15Å; D145-K509 PolarHBondContact OD2-NZ 3.49Å
146	E	88.4	Confident	85.5	Confident	66 Å²	66	91.9 Å²	91.9	31%	0.308	48%	0.479	S	S	.	.			trans	-109.8	146	171.5	69.1	179.9	177.2	0	0	110.2	W143 R144 K513	W143-E146 WeakPolarHBondContact O-CG 3.18Å; R144-E146 PolarHBondContact O-N 3.16Å; E146-K513 IonicContact OE1-NZ 3.69Å; E146-K513 PolarHBondContact OE1-NZ 2.79Å; E146-K513 IonicContact OE2-NZ 2.88Å
147	P	89.9	Confident	87.5	Confident	105 Å²	105	90.9 Å²	90.9	68%	0.682	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-63.4	149.2	176.1	28	-35.2	0	0	0	110.7
148	E	91.9	Very high	89.4	Confident	150 Å²	150	84 Å²	84	70%	0.701	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-54.6	132.2	178.1	-75	-154.5	159	0	0	111.6	S150 R527	E148-S150 PolarHBondContact O-N 2.83Å; E148-R527 VanDerWaalsContact CD-NH1 3.35Å; E148-R527 IonicContact OE1-NH1 3.53Å; E148-R527 IonicContact OE2-CZ 3.68Å; E148-R527 IonicContact OE2-NH1 2.65Å; E148-R527 PolarHBondContact OE2-NH1 3.24Å
149	P	94.3	Very high	91.1	Very high	24 Å²	24	78.1 Å²	78.1	16%	0.156	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-57.6	135.2	175.8	-27.3	36.2	0	0	0	112.4	P223 Y224 I531	P149-P223 HydrophobicContact CB-CB 3.59Å; P149-P223 HydrophobicContact CB-CG 3.69Å; P149-P223 HydrophobicContact CG-CB 3.62Å; P149-P223 HydrophobicContact CG-CG 3.61Å; P149-Y224 WeakPolarHBondContact CA-OH 3.39Å; P149-Y224 HydrophobicContact CB-CE1 4.39Å; P149-I531 HydrophobicContact CB-CD1 3.68Å
150	S	95.8	Very high	92.3	Very high	53 Å²	53	81.7 Å²	81.7	37%	0.371	43%	0.428	S	S	.	.			trans	-141.6	151.5	-171.5	-174.9	0	0	0	0	111.8	E148 C152 Y224	E148-S150 PolarHBondContact O-N 2.83Å; S150-C152 PolarHBondContact OG-N 3.45Å; S150-C152 VanDerWaalsContact OG-N 3.11Å; S150-Y224 PolarHBondContact N-OH 3.2Å; S150-Y224 WeakPolarHBondContact O-CE1 3.46Å; S150-Y224 PolarHBondContact O-OH 2.84Å
151	A	95.7	Very high	93.3	Very high	8 Å²	8	74 Å²	74	7%	0.066	39%	0.388	C	S	.	.	S	Bend	trans	-77.9	-10.3	168.8	0	0	0	0	0	112.8	E534 C535 L538	A151-E534 HydrophobicContact CB-CB 4.3Å; A151-E534 HydrophobicContact CB-CG 3.74Å; A151-C535 VanDerWaalsContact CB-SG 3.52Å; A151-L538 HydrophobicContact CB-CD2 4.11Å; A151-L538 VanDerWaalsContact O-CD2 3.26Å; A151-L538 WeakPolarHBondContact O-CD2 3.22Å
152	C	93.5	Very high	93.8	Very high	99 Å²	99	78.2 Å²	78.2	67%	0.669	41%	0.413	S	S	*	.			trans	-88	115.1	178.4	-62.2	0	0	0	0	110.2	S150	S150-C152 PolarHBondContact OG-N 3.45Å; S150-C152 VanDerWaalsContact OG-N 3.11Å
153	E	97	Very high	94.1	Very high	40 Å²	40	76.2 Å²	76.2	19%	0.187	41%	0.405	C	S	.	.			trans	-105.5	142.4	178.9	-70.4	161.8	-79.5	0	0	110.6	N242 V246 F430 P432 I433	E153-N242 VanDerWaalsContact CD-ND2 3.34Å; E153-N242 PolarHBondContact OE1-ND2 3.35Å; E153-N242 PolarHBondContact OE2-ND2 3.13Å; E153-V246 HydrophobicContact CB-CG2 4.15Å; E153-F430 HydrophobicContact CB-CE2 4.34Å; E153-F430 HydrophobicContact CB-CZ 4.05Å; E153-F430 HydrophobicContact CG-CZ 4.42Å; E153-F430 WeakPolarHBondContact OE2-CZ 3.42Å; E153-P432 WeakPolarHBondContact OE2-CA 3.43Å; E153-I433 HydrophobicContact CG-CD1 4.28Å; E153-I433 HydrophobicContact CG-CG1 4.37Å; E153-I433 HydrophobicContact CG-CG2 3.79Å; E153-I433 PolarHBondContact OE2-N 2.98Å
154	Q	95.1	Very high	94.4	Very high	185 Å²	185	82.5 Å²	82.5	86%	0.864	44%	0.436	S	S	*	.			trans	-104.3	142	175.7	-65.9	-175.7	-4.4	0	0	110.3
155	V	97.9	Very high	94.8	Very high	46 Å²	46	75.6 Å²	75.6	28%	0.279	41%	0.412	S	S	.	.			trans	-115.6	120.3	176.3	-175.3	0	0	0	0	109	W157 V246 F247 C428 F430	V155-W157 HydrophobicContact CG1-CD2 4.44Å; V155-W157 HydrophobicContact CG1-CG 4.36Å; V155-W157 HydrophobicContact CG1-CZ2 4.47Å; V155-V246 HydrophobicContact CG2-CG1 3.29Å; V155-F247 HydrophobicContact CG1-CE1 3.75Å; V155-F247 HydrophobicContact CG1-CZ 4.22Å; V155-F247 HydrophobicContact CG2-CE1 4.17Å; V155-F247 HydrophobicContact CG2-CZ 4.32Å; V155-C428 HydrophobicContact CG1-CB 4.4Å; V155-F430 HydrophobicContact CG2-CD2 4.21Å; V155-F430 HydrophobicContact CG2-CE2 4.12Å
156	S	98.1	Very high	95.4	Very high	76 Å²	76	70.2 Å²	70.2	53%	0.531	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-99.5	128.3	164.7	-173	0	0	0	0	108.3	C428 Y495	S156-C428 WeakPolarHBondContact O-CB 3.25Å; S156-Y495 PolarHBondContact O-OH 3.43Å; S156-Y495 WeakPolarHBondContact OG-CE2 3.2Å
157	W	98.6	Very high	95.8	Very high	66 Å²	66	71 Å²	71	25%	0.25	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-101	154.1	176.3	-66.4	81.8	0	0	0	110.4	V155 F247 R426 C428 K447 Y495	V155-W157 HydrophobicContact CG1-CD2 4.44Å; V155-W157 HydrophobicContact CG1-CG 4.36Å; V155-W157 HydrophobicContact CG1-CZ2 4.47Å; W157-F247 AromaticContact CH2-CD1 3.92Å; W157-F247 HydrophobicContact CH2-CD1 3.92Å; W157-F247 AromaticContact CH2-CE1 3.95Å; W157-F247 HydrophobicContact CH2-CE1 3.95Å; W157-F247 AromaticContact CZ2-CD1 3.62Å; W157-F247 HydrophobicContact CZ2-CD1 3.62Å; W157-F247 AromaticContact CZ2-CE1 3.66Å; W157-F247 HydrophobicContact CZ2-CE1 3.66Å; W157-R426 VanDerWaalsContact CB-NH2 3.3Å; W157-R426 HydrophobicContact CE3-CB 3.69Å; W157-R426 HydrophobicContact CZ3-CB 3.85Å; W157-C428 HydrophobicContact CB-CB 4.33Å; W157-C428 HydrophobicContact CD2-CB 3.86Å; W157-C428 HydrophobicContact CE3-CB 3.72Å; W157-C428 HydrophobicContact CG-CB 4.14Å; W157-C428 HydrophobicContact CZ3-CB 4.31Å; W157-K447 HydrophobicContact CH2-CB 4.26Å; W157-K447 HydrophobicContact CH2-CD 4.47Å; W157-K447 HydrophobicContact CZ3-CB 4.29Å; W157-Y495 WeakPolarHBondContact O-CD2 3.49Å; W157-Y495 VanDerWaalsContact O-CE2 3.22Å; W157-Y495 WeakPolarHBondContact O-CE2 3.48Å
158	F	98.5	Very high	96.2	Very high	0 Å²	0	70.2 Å²	70.2	0%	0	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-55	153.5	159.7	-75.4	-88.4	0	0	0	108.9	V417 Y421 R426 V427 L429 F492 Y495 M496	F158-V417 HydrophobicContact CE2-CG1 4.02Å; F158-V417 HydrophobicContact CZ-CG1 3.96Å; F158-Y421 HydrophobicContact CB-CD2 4.12Å; F158-Y421 HydrophobicContact CB-CE2 4.1Å; F158-Y421 HydrophobicContact CG-CD2 4.44Å; F158-R426 PolarHBondContact O-NE 2.8Å; F158-R426 PolarHBondContact O-NH2 2.65Å; F158-V427 WeakPolarHBondContact CB-O 3.41Å; F158-V427 HydrophobicContact CD2-CB 4.1Å; F158-V427 HydrophobicContact CD2-CG1 4Å; F158-V427 WeakPolarHBondContact CD2-O 3.05Å; F158-V427 HydrophobicContact CE2-CG1 4.17Å; F158-V427 PolarHBondContact N-O 2.78Å; F158-L429 HydrophobicContact CE2-CD1 4.48Å; F158-L429 HydrophobicContact CE2-CG 4.13Å; F158-L429 HydrophobicContact CZ-CD1 4.47Å; F158-F492 AromaticContact CD1-CD2 3.59Å; F158-F492 HydrophobicContact CD1-CD2 3.59Å; F158-F492 HydrophobicContact CD1-CE2 4.03Å; F158-F492 HydrophobicContact CD1-CG 4.3Å; F158-F492 AromaticContact CE1-CD2 3.28Å; F158-F492 HydrophobicContact CE1-CD2 3.28Å; F158-F492 AromaticContact CE1-CE2 3.36Å; F158-F492 HydrophobicContact CE1-CE2 3.36Å; F158-F492 AromaticContact CE1-CG 3.92Å; F158-F492 HydrophobicContact CE1-CG 3.92Å; F158-F492 HydrophobicContact CE1-CZ 4.04Å; F158-F492 HydrophobicContact CE2-CE2 4.45Å; F158-F492 HydrophobicContact CZ-CD2 4.04Å; F158-F492 AromaticContact CZ-CE2 3.62Å; F158-F492 HydrophobicContact CZ-CE2 3.62Å; F158-F492 HydrophobicContact CZ-CZ 4.14Å; F158-Y495 AromaticContact CD1-CD1 3.43Å; F158-Y495 HydrophobicContact CD1-CD1 3.43Å; F158-Y495 VanDerWaalsContact CD1-CD1 3.43Å; F158-Y495 HydrophobicContact CD1-CD2 4.4Å; F158-Y495 HydrophobicContact CD1-CE1 4.12Å; F158-Y495 AromaticContact CD1-CG 3.59Å; F158-Y495 HydrophobicContact CD1-CG 3.59Å; F158-Y495 AromaticContact CD2-CD1 3.81Å; F158-Y495 HydrophobicContact CD2-CD1 3.81Å; F158-Y495 AromaticContact CD2-CE1 3.61Å; F158-Y495 HydrophobicContact CD2-CE1 3.61Å; F158-Y495 HydrophobicContact CD2-CG 4.44Å; F158-Y495 AromaticContact CE1-CD1 3.2Å; F158-Y495 HydrophobicContact CE1-CD1 3.2Å; F158-Y495 AromaticContact CE1-CE1 3.95Å; F158-Y495 HydrophobicContact CE1-CE1 3.95Å; F158-Y495 AromaticContact CE1-CG 3.78Å; F158-Y495 HydrophobicContact CE1-CG 3.78Å; F158-Y495 AromaticContact CE2-CD1 3.61Å; F158-Y495 HydrophobicContact CE2-CD1 3.61Å; F158-Y495 AromaticContact CE2-CE1 3.41Å; F158-Y495 HydrophobicContact CE2-CE1 3.41Å; F158-Y495 VanDerWaalsContact CE2-CE1 3.41Å; F158-Y495 AromaticContact CG-CD1 3.74Å; F158-Y495 HydrophobicContact CG-CD1 3.74Å; F158-Y495 HydrophobicContact CG-CD2 4.39Å; F158-Y495 AromaticContact CG-CE1 3.97Å; F158-Y495 HydrophobicContact CG-CE1 3.97Å; F158-Y495 AromaticContact CG-CG 3.96Å; F158-Y495 HydrophobicContact CG-CG 3.96Å; F158-Y495 AromaticContact CZ-CD1 3.31Å; F158-Y495 HydrophobicContact CZ-CD1 3.31Å; F158-Y495 AromaticContact CZ-CE1 3.6Å; F158-Y495 HydrophobicContact CZ-CE1 3.6Å; F158-Y495 HydrophobicContact CZ-CG 4.3Å; F158-M496 HydrophobicContact CZ-SD 4.32Å
159	P	97.3	Very high	96.5	Very high	37 Å²	37	70.1 Å²	70.1	24%	0.24	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-50.4	170.9	159.8	-29.6	42.1	0	0	0	111.4	Y421 E491	P159-Y421 WeakPolarHBondContact O-CE2 3.34Å; P159-E491 HydrophobicContact CB-CB 4.34Å; P159-E491 WeakPolarHBondContact CB-OE2 3.35Å; P159-E491 HydrophobicContact CG-CB 4.03Å
160	E	96	Very high	96.6	Very high	115 Å²	115	73.5 Å²	73.5	54%	0.537	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-84.8	132	177.9	-172.6	161	163	0	0	109.7	T162	E160-T162 PolarHBondContact O-N 2.98Å
161	C	95.7	Very high	96.7	Very high	10 Å²	10	71.1 Å²	71.1	7%	0.068	38%	0.38	C	S	.	.			trans	-65.2	110.7	179.9	166	0	0	0	0	110.2	T163 Y421 K450	C161-T163 PolarHBondContact SG-O 2.74Å; C161-T163 VanDerWaalsContact SG-O 3.41Å; C161-T163 PolarHBondContact SG-OG1 3.39Å; C161-Y421 WeakPolarHBondContact CA-OH 3.27Å; C161-Y421 HydrophobicContact CB-CD1 4.18Å; C161-Y421 HydrophobicContact CB-CD2 3.97Å; C161-Y421 HydrophobicContact CB-CE1 3.86Å; C161-Y421 HydrophobicContact CB-CE2 3.61Å; C161-Y421 HydrophobicContact CB-CG 4.25Å; C161-Y421 VanDerWaalsContact CB-O 3.26Å; C161-Y421 WeakPolarHBondContact CB-O 3.43Å; C161-K450 PolarHBondContact SG-NZ 3.14Å
162	T	93.2	Very high	96.8	Very high	128 Å²	128	74.6 Å²	74.6	79%	0.785	40%	0.403	S	S	*	.			trans	-92.2	-10.9	178.7	55.8	0	0	0	0	113.7	E160	E160-T162 PolarHBondContact O-N 2.98Å
163	T	93.8	Very high	96.9	Very high	61 Å²	61	75.7 Å²	75.7	37%	0.374	40%	0.402	S	S	.	.	S	Bend	trans	-76.8	152.7	172.4	46.8	0	0	0	0	111.2	C161	C161-T163 PolarHBondContact SG-O 2.74Å; C161-T163 VanDerWaalsContact SG-O 3.41Å; C161-T163 PolarHBondContact SG-OG1 3.39Å
164	E	95.8	Very high	97	Very high	171 Å²	171	74.1 Å²	74.1	80%	0.799	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-68.7	160.7	171.2	-72.9	-65.5	170.1	0	0	110.8	P166	E164-P166 WeakPolarHBondContact O-CD 3.31Å
165	I	98.3	Very high	97.2	Very high	30 Å²	30	68.5 Å²	68.5	15%	0.154	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-71.1	126.5	175.9	-59.7	168.1	0	0	0	108	D167 K450 V451 I453 V456	I165-D167 PolarHBondContact O-N 3.07Å; I165-K450 HydrophobicContact CD1-CB 3.82Å; I165-K450 HydrophobicContact CD1-CD 4.06Å; I165-K450 HydrophobicContact CG1-CD 4.25Å; I165-V451 WeakPolarHBondContact CD1-O 3.24Å; I165-I453 HydrophobicContact CD1-CG2 3.92Å; I165-V456 HydrophobicContact CG2-CG2 3.77Å
166	P	98.2	Very high	97.2	Very high	4 Å²	4	69.4 Å²	69.4	3%	0.026	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-58.8	136.3	-179.2	-25.9	34.9	0	0	0	112.4	E164 E170 M171 W174	E164-P166 WeakPolarHBondContact O-CD 3.31Å; P166-E170 WeakPolarHBondContact CA-OE2 3.5Å; P166-M171 HydrophobicContact CB-CE 4.3Å; P166-M171 HydrophobicContact CB-CG 3.69Å; P166-M171 HydrophobicContact CB-SD 3.93Å; P166-M171 VanDerWaalsContact O-CE 3.24Å; P166-M171 WeakPolarHBondContact O-CE 3.37Å; P166-W174 HydrophobicContact CB-CH2 3.66Å; P166-W174 HydrophobicContact CB-CZ2 4.3Å; P166-W174 HydrophobicContact CB-CZ3 4.1Å; P166-W174 HydrophobicContact CG-CH2 3.5Å; P166-W174 VanDerWaalsContact CG-CH2 3.5Å; P166-W174 HydrophobicContact CG-CZ2 4.44Å; P166-W174 HydrophobicContact CG-CZ3 4.01Å
167	D	98.2	Very high	97.2	Very high	82 Å²	82	68.6 Å²	68.6	44%	0.439	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-96.4	172.5	178.4	81	15.8	0	0	0	112.6	I165 Q169 E170 M171	I165-D167 PolarHBondContact O-N 3.07Å; D167-Q169 PolarHBondContact O-N 2.67Å; D167-Q169 WeakPolarHBondContact OD1-CA 3.33Å; D167-Q169 WeakPolarHBondContact OD1-CB 3.4Å; D167-Q169 PolarHBondContact OD1-N 2.69Å; D167-E170 PolarHBondContact O-N 3.19Å; D167-E170 PolarHBondContact OD1-N 3.09Å; D167-M171 WeakPolarHBondContact O-CE 3.15Å; D167-M171 PolarHBondContact O-N 2.81Å
168	T	97.6	Very high	97.2	Very high	90 Å²	90	66.6 Å²	66.6	55%	0.552	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-29.5	179.7	-60.7	0	0	0	0	113.2	S172 D455	T168-S172 WeakPolarHBondContact O-CB 3.42Å; T168-S172 PolarHBondContact O-N 3.45Å; T168-D455 WeakPolarHBondContact CB-OD2 3.34Å; T168-D455 PolarHBondContact N-OD2 2.93Å; T168-D455 PolarHBondContact OG1-OD2 3.37Å
169	Q	97.2	Very high	97.2	Very high	147 Å²	147	73.1 Å²	73.1	69%	0.687	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-41	-179.6	179.3	57.1	81.6	0	0	111	D167 S172	D167-Q169 PolarHBondContact O-N 2.67Å; D167-Q169 WeakPolarHBondContact OD1-CA 3.33Å; D167-Q169 WeakPolarHBondContact OD1-CB 3.4Å; D167-Q169 PolarHBondContact OD1-N 2.69Å; Q169-S172 PolarHBondContact NE2-OG 3.17Å; Q169-S172 WeakPolarHBondContact O-CB 2.85Å; Q169-S172 PolarHBondContact O-N 2.64Å; Q169-S172 PolarHBondContact O-OG 2.87Å
170	E	97.2	Very high	97.2	Very high	96 Å²	96	75.2 Å²	75.2	45%	0.449	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-63.4	-47	173.4	-169.3	-178.9	173.7	0	0	111.2	P166 D167 S172 W174	P166-E170 WeakPolarHBondContact CA-OE2 3.5Å; D167-E170 PolarHBondContact O-N 3.19Å; D167-E170 PolarHBondContact OD1-N 3.09Å; E170-S172 PolarHBondContact O-N 3.16Å; E170-W174 HydrophobicContact CG-CZ2 3.78Å; E170-W174 PolarHBondContact O-NE1 3.06Å; E170-W174 WeakPolarHBondContact OE1-CZ2 3.01Å
171	M	98.5	Very high	97.3	Very high	3 Å²	3	72.5 Å²	72.5	2%	0.015	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-77.1	0.7	-178.8	-65	-175.3	-73.3	0	0	114.9	P166 D167 D173 W174 L419 D455 V456 Y459	P166-M171 HydrophobicContact CB-CE 4.3Å; P166-M171 HydrophobicContact CB-CG 3.69Å; P166-M171 HydrophobicContact CB-SD 3.93Å; P166-M171 VanDerWaalsContact O-CE 3.24Å; P166-M171 WeakPolarHBondContact O-CE 3.37Å; D167-M171 WeakPolarHBondContact O-CE 3.15Å; D167-M171 PolarHBondContact O-N 2.81Å; M171-D173 PolarHBondContact O-N 3.23Å; M171-W174 HydrophobicContact CB-CD2 4.22Å; M171-W174 HydrophobicContact CB-CE3 4.35Å; M171-W174 HydrophobicContact CB-CG 4.35Å; M171-W174 HydrophobicContact CG-CD2 3.89Å; M171-W174 HydrophobicContact CG-CE3 3.65Å; M171-W174 HydrophobicContact CG-CH2 4.26Å; M171-W174 HydrophobicContact CG-CZ2 4.45Å; M171-W174 HydrophobicContact CG-CZ3 3.85Å; M171-W174 PolarHBondContact O-N 2.94Å; M171-W174 HydrophobicContact SD-CE3 4.41Å; M171-W174 HydrophobicContact SD-CZ3 4.4Å; M171-L419 HydrophobicContact SD-CD2 4.34Å; M171-D455 HydrophobicContact CE-CB 3.99Å; M171-V456 HydrophobicContact CE-CB 4.41Å; M171-V456 HydrophobicContact CE-CG2 3.87Å; M171-V456 HydrophobicContact SD-CG2 4.01Å; M171-Y459 HydrophobicContact CB-CD2 3.84Å; M171-Y459 HydrophobicContact CB-CE2 4.12Å; M171-Y459 HydrophobicContact CB-CG 4.27Å; M171-Y459 HydrophobicContact CE-CG 4.46Å; M171-Y459 WeakPolarHBondContact O-CE2 3.35Å; M171-Y459 HydrophobicContact SD-CD1 4Å; M171-Y459 HydrophobicContact SD-CD2 4.39Å; M171-Y459 HydrophobicContact SD-CG 3.86Å
172	S	96.8	Very high	97.4	Very high	81 Å²	81	75.6 Å²	75.6	57%	0.566	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-63.5	-25.1	-168.5	64.2	0	0	0	0	114.8	T168 Q169 E170	T168-S172 WeakPolarHBondContact O-CB 3.42Å; T168-S172 PolarHBondContact O-N 3.45Å; Q169-S172 PolarHBondContact NE2-OG 3.17Å; Q169-S172 WeakPolarHBondContact O-CB 2.85Å; Q169-S172 PolarHBondContact O-N 2.64Å; Q169-S172 PolarHBondContact O-OG 2.87Å; E170-S172 PolarHBondContact O-N 3.16Å
173	D	96.8	Very high	97.6	Very high	121 Å²	121	73.3 Å²	73.3	65%	0.647	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-114.8	-0.4	178	62.7	-7.9	0	0	0	114.4	M171 M175	M171-D173 PolarHBondContact O-N 3.23Å; D173-M175 VanDerWaalsContact C-N 3.31Å; D173-M175 PolarHBondContact O-N 3.45Å
174	W	98.6	Very high	97.7	Very high	7 Å²	7	71 Å²	71	3%	0.027	37%	0.366	C	S	.	.			trans	-65.9	-25.8	-175.2	-73.9	20	0	0	0	114.9	P166 E170 M171 V176 L419 Y459 V481 P482 V485	P166-W174 HydrophobicContact CB-CH2 3.66Å; P166-W174 HydrophobicContact CB-CZ2 4.3Å; P166-W174 HydrophobicContact CB-CZ3 4.1Å; P166-W174 HydrophobicContact CG-CH2 3.5Å; P166-W174 VanDerWaalsContact CG-CH2 3.5Å; P166-W174 HydrophobicContact CG-CZ2 4.44Å; P166-W174 HydrophobicContact CG-CZ3 4.01Å; E170-W174 HydrophobicContact CG-CZ2 3.78Å; E170-W174 PolarHBondContact O-NE1 3.06Å; E170-W174 WeakPolarHBondContact OE1-CZ2 3.01Å; M171-W174 HydrophobicContact CB-CD2 4.22Å; M171-W174 HydrophobicContact CB-CE3 4.35Å; M171-W174 HydrophobicContact CB-CG 4.35Å; M171-W174 HydrophobicContact CG-CD2 3.89Å; M171-W174 HydrophobicContact CG-CE3 3.65Å; M171-W174 HydrophobicContact CG-CH2 4.26Å; M171-W174 HydrophobicContact CG-CZ2 4.45Å; M171-W174 HydrophobicContact CG-CZ3 3.85Å; M171-W174 PolarHBondContact O-N 2.94Å; M171-W174 HydrophobicContact SD-CE3 4.41Å; M171-W174 HydrophobicContact SD-CZ3 4.4Å; W174-V176 PolarHBondContact O-N 3.37Å; W174-L419 HydrophobicContact CE3-CD2 4.42Å; W174-L419 HydrophobicContact CZ3-CD2 3.82Å; W174-Y459 HydrophobicContact CB-CE2 4.36Å; W174-V481 HydrophobicContact CD2-CG1 4.47Å; W174-V481 HydrophobicContact CE3-CB 4.09Å; W174-V481 HydrophobicContact CE3-CG1 3.96Å; W174-V481 HydrophobicContact CE3-CG2 3.79Å; W174-V481 HydrophobicContact CH2-CG1 4.24Å; W174-V481 HydrophobicContact CZ3-CB 4.29Å; W174-V481 HydrophobicContact CZ3-CG1 3.84Å; W174-V481 HydrophobicContact CZ3-CG2 3.8Å; W174-P482 HydrophobicContact CB-CG 4.46Å; W174-P482 VanDerWaalsContact CG-CD 3.46Å; W174-P482 HydrophobicContact CG-CG 4.03Å; W174-V485 HydrophobicContact CH2-CG1 4.28Å; W174-V485 HydrophobicContact CZ2-CG1 4.19Å; W174-V485 HydrophobicContact CZ2-CG2 4.49Å
175	M	98.6	Very high	97.8	Very high	68 Å²	68	68.5 Å²	68.5	34%	0.335	35%	0.354	S	S	.	.			trans	-81.4	95	-177.1	-174.7	-173.1	56	0	0	111.4	D173 Y459 V463 K466 V477	D173-M175 VanDerWaalsContact C-N 3.31Å; D173-M175 PolarHBondContact O-N 3.45Å; M175-Y459 WeakPolarHBondContact CA-OH 3.43Å; M175-Y459 HydrophobicContact CB-CE2 4.19Å; M175-Y459 WeakPolarHBondContact CB-OH 3.44Å; M175-Y459 PolarHBondContact N-OH 2.91Å; M175-V463 HydrophobicContact CB-CG2 4.44Å; M175-V463 HydrophobicContact CG-CG2 4.08Å; M175-V463 HydrophobicContact SD-CB 4.31Å; M175-V463 HydrophobicContact SD-CG1 4.41Å; M175-V463 HydrophobicContact SD-CG2 3.87Å; M175-K466 HydrophobicContact CE-CB 4.34Å; M175-K466 HydrophobicContact CE-CG 4.08Å; M175-K466 HydrophobicContact SD-CB 3.76Å; M175-K466 HydrophobicContact SD-CG 3.84Å; M175-V477 HydrophobicContact CG-CG1 3.78Å; M175-V477 HydrophobicContact CG-CG2 4.36Å; M175-V477 HydrophobicContact SD-CG2 4.26Å
176	V	98.6	Very high	97.7	Very high	65 Å²	65	71 Å²	71	39%	0.394	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	117.7	178.9	-171.7	0	0	0	0	111.2	W174 N478 L479	W174-V176 PolarHBondContact O-N 3.37Å; V176-N478 PolarHBondContact O-N 2.68Å; V176-L479 HydrophobicContact CB-CB 3.93Å; V176-L479 HydrophobicContact CB-CD1 4.14Å; V176-L479 HydrophobicContact CB-CG 4.3Å; V176-L479 HydrophobicContact CG2-CB 4.05Å; V176-L479 HydrophobicContact CG2-CD1 3.93Å; V176-L479 HydrophobicContact CG2-CG 4.48Å; V176-L479 PolarHBondContact N-O 2.58Å; V176-L479 VanDerWaalsContact N-O 3.14Å; V176-L479 PolarHBondContact O-N 3.36Å
177	V	98.7	Very high	97.7	Very high	59 Å²	59	71.7 Å²	71.7	36%	0.358	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	126.9	170.7	178	0	0	0	0	109.5	K466 L470 D476 V477	V177-K466 HydrophobicContact CG2-CG 4.22Å; V177-L470 HydrophobicContact CG1-CD1 3.73Å; V177-L470 HydrophobicContact CG2-CD1 4.12Å; V177-D476 WeakPolarHBondContact CA-O 3.48Å; V177-V477 HydrophobicContact CG2-CG2 4.25Å
178	G	97.7	Very high	97.7	Very high	23 Å²	23	70.3 Å²	70.3	24%	0.237	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	-168.7	177.9	0	0	0	0	0	112.2	S475 D476	G178-S475 CarbonylContact O-C 3.48Å; G178-S475 VanDerWaalsContact O-CA 3.22Å; G178-S475 WeakPolarHBondContact O-CA 3.11Å; G178-D476 PolarHBondContact N-O 2.91Å; G178-D476 PolarHBondContact O-N 3.44Å
179	K	98.1	Very high	97.8	Very high	138 Å²	138	69.8 Å²	69.8	60%	0.6	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.8	143.4	168.3	-71.1	-62.7	-172.5	-170.3	0	110.2	K181 D474 N478	K179-K181 PolarHBondContact O-N 2.83Å; K179-K181 VanDerWaalsContact O-N 3.1Å; K179-D474 WeakPolarHBondContact CA-O 3.48Å; K179-D474 IonicContact NZ-OD2 2.73Å; K179-D474 PolarHBondContact NZ-OD2 3.09Å; K179-N478 PolarHBondContact O-ND2 2.93Å
180	R	98.3	Very high	97.8	Very high	80 Å²	80	62.8 Å²	62.8	30%	0.302	32%	0.324	S	S	.	.			trans	-63.9	108.1	174	179.5	169.3	-61.6	-66.7	-12.5	109.5	M182 L470 T473 D474 S475 D476	R180-M182 HydrophobicContact CG-CG 4.3Å; R180-M182 HydrophobicContact CG-SD 4.18Å; R180-L470 PolarHBondContact NH2-O 2.87Å; R180-T473 PolarHBondContact NE-O 3.41Å; R180-T473 VanDerWaalsContact NE-O 3.1Å; R180-D474 PolarHBondContact N-O 2.9Å; R180-S475 PolarHBondContact NH2-O 2.9Å; R180-D476 HydrophobicContact CB-CB 4.13Å; R180-D476 HydrophobicContact CG-CB 4.42Å; R180-D476 VanDerWaalsContact CZ-CG 3.48Å; R180-D476 IonicContact CZ-OD1 3.38Å; R180-D476 IonicContact CZ-OD2 2.74Å; R180-D476 IonicContact NH1-OD1 3.73Å; R180-D476 PolarHBondContact NH1-OD1 3.15Å; R180-D476 VanDerWaalsContact NH1-OD1 3.13Å; R180-D476 IonicContact NH1-OD2 3.32Å; R180-D476 PolarHBondContact NH1-OD2 3.15Å; R180-D476 VanDerWaalsContact NH2-CG 3.26Å; R180-D476 IonicContact NH2-OD1 3.13Å; R180-D476 PolarHBondContact NH2-OD1 3.04Å
181	K	97.6	Very high	97.9	Very high	59 Å²	59	58.4 Å²	58.4	26%	0.257	30%	0.304	S	S	.	.			trans	-91.9	124.9	176.4	-171.7	179.2	174.1	-167	0	109.4	K179 I183 D186 E187 I378	K179-K181 PolarHBondContact O-N 2.83Å; K179-K181 VanDerWaalsContact O-N 3.1Å; K181-I183 WeakPolarHBondContact CE-O 3.41Å; K181-I183 HydrophobicContact CG-CB 4.11Å; K181-D186 WeakPolarHBondContact CE-OD1 3.39Å; K181-D186 WeakPolarHBondContact CE-OD2 3.4Å; K181-D186 IonicContact NZ-OD1 3.75Å; K181-D186 PolarHBondContact NZ-OD1 3.4Å; K181-D186 IonicContact NZ-OD2 2.73Å; K181-D186 PolarHBondContact NZ-OD2 3.18Å; K181-E187 WeakPolarHBondContact CD-OE1 3.39Å; K181-E187 VanDerWaalsContact CE-OE1 3.27Å; K181-E187 WeakPolarHBondContact CE-OE1 3.34Å; K181-E187 VanDerWaalsContact NZ-CD 3.26Å; K181-E187 IonicContact NZ-OE1 3.97Å; K181-E187 PolarHBondContact NZ-OE1 2.79Å; K181-E187 IonicContact NZ-OE2 3.18Å; K181-I378 WeakPolarHBondContact O-CG2 3.43Å
182	M	97.1	Very high	97.8	Very high	75 Å²	75	59.6 Å²	59.6	37%	0.369	32%	0.317	S	S	.	.			trans	-119.4	38.9	175	-60.3	-60	-57.8	0	0	109.9	R180 L375 I378 L379	R180-M182 HydrophobicContact CG-CG 4.3Å; R180-M182 HydrophobicContact CG-SD 4.18Å; M182-L375 HydrophobicContact CE-CD1 4.24Å; M182-I378 HydrophobicContact CE-CG2 4.09Å; M182-I378 HydrophobicContact SD-CG2 3.75Å; M182-L379 HydrophobicContact CE-CD2 3.8Å; M182-L379 HydrophobicContact CE-CG 4.32Å
183	I	97.5	Very high	97.9	Very high	80 Å²	80	61.3 Å²	61.3	41%	0.41	32%	0.316	S	S	.	.			trans	-127.1	130	-175.8	-57.3	175.2	0	0	0	105.7	K181 E185 D186	K181-I183 WeakPolarHBondContact CE-O 3.41Å; K181-I183 HydrophobicContact CG-CB 4.11Å; I183-E185 HydrophobicContact CG2-CG 3.77Å; I183-D186 WeakPolarHBondContact CG2-OD1 3.43Å
184	I	97.6	Very high	97.8	Very high	11 Å²	11	63.5 Å²	63.5	6%	0.056	32%	0.322	C	S	.	.			trans	-117.7	-13.9	-176.2	-167.4	60.5	0	0	0	112.2	D186 E187 L200 N374 L375 I378 F409 T410	I184-D186 VanDerWaalsContact C-N 3.29Å; I184-D186 PolarHBondContact O-N 3.05Å; I184-E187 HydrophobicContact CD1-CB 4.2Å; I184-E187 HydrophobicContact CD1-CG 4.02Å; I184-E187 PolarHBondContact O-N 2.99Å; I184-L200 HydrophobicContact CG2-CD1 4.11Å; I184-L200 HydrophobicContact CG2-CD2 3.82Å; I184-N374 HydrophobicContact CG2-CB 4.36Å; I184-L375 HydrophobicContact CB-CD2 4.27Å; I184-L375 HydrophobicContact CG2-CD2 4.13Å; I184-I378 HydrophobicContact CB-CD1 4.36Å; I184-I378 HydrophobicContact CD1-CD1 4.3Å; I184-F409 HydrophobicContact CD1-CB 4.4Å; I184-F409 HydrophobicContact CD1-CD2 4.26Å; I184-T410 HydrophobicContact CD1-CG2 4.2Å
185	E	96.2	Very high	97.6	Very high	120 Å²	120	65.9 Å²	65.9	56%	0.561	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-17.8	-173.5	70.5	-160.8	162.4	0	0	114.1	I183 H197 L200	I183-E185 HydrophobicContact CG2-CG 3.77Å; E185-H197 PolarHBondContact O-CD2 2.78Å; E185-H197 PolarHBondContact O-NE2 3.19Å; E185-L200 HydrophobicContact CB-CD1 4.24Å
186	D	97.3	Very high	97.6	Very high	81 Å²	81	62.6 Å²	62.6	43%	0.433	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.4	7	179.8	68	-29.6	0	0	0	112.9	K181 I183 I184 T188	K181-D186 WeakPolarHBondContact CE-OD1 3.39Å; K181-D186 WeakPolarHBondContact CE-OD2 3.4Å; K181-D186 IonicContact NZ-OD1 3.75Å; K181-D186 PolarHBondContact NZ-OD1 3.4Å; K181-D186 IonicContact NZ-OD2 2.73Å; K181-D186 PolarHBondContact NZ-OD2 3.18Å; I183-D186 WeakPolarHBondContact CG2-OD1 3.43Å; I184-D186 VanDerWaalsContact C-N 3.29Å; I184-D186 PolarHBondContact O-N 3.05Å; D186-T188 PolarHBondContact O-N 3.16Å
187	E	98.2	Very high	97.4	Very high	19 Å²	19	63.1 Å²	63.1	9%	0.089	32%	0.317	C	S	.	.			trans	-80.7	59.6	178.2	-64.9	-71.8	172.3	0	0	111.2	K181 I184 F409 T410 P411	K181-E187 WeakPolarHBondContact CD-OE1 3.39Å; K181-E187 VanDerWaalsContact CE-OE1 3.27Å; K181-E187 WeakPolarHBondContact CE-OE1 3.34Å; K181-E187 VanDerWaalsContact NZ-CD 3.26Å; K181-E187 IonicContact NZ-OE1 3.97Å; K181-E187 PolarHBondContact NZ-OE1 2.79Å; K181-E187 IonicContact NZ-OE2 3.18Å; I184-E187 HydrophobicContact CD1-CB 4.2Å; I184-E187 HydrophobicContact CD1-CG 4.02Å; I184-E187 PolarHBondContact O-N 2.99Å; E187-F409 HydrophobicContact CB-CB 3.96Å; E187-T410 HydrophobicContact CG-CG2 3.99Å; E187-P411 WeakPolarHBondContact OE2-CD 3.49Å
188	T	98.3	Very high	97.2	Very high	54 Å²	54	62.6 Å²	62.6	33%	0.331	32%	0.316	S	S	.	.			trans	-94.3	4.1	-172.5	55.2	0	0	0	0	114.2	D186 F190 C191 E193 L196	D186-T188 PolarHBondContact O-N 3.16Å; T188-F190 PolarHBondContact O-N 2.85Å; T188-F190 VanDerWaalsContact O-N 3.08Å; T188-C191 CarbonylContact C-O 3.25Å; T188-C191 WeakPolarHBondContact CA-O 3.37Å; T188-C191 PolarHBondContact O-N 2.85Å; T188-E193 HydrophobicContact CG2-CB 3.86Å; T188-E193 HydrophobicContact CG2-CG 4.1Å; T188-L196 HydrophobicContact CG2-CD2 3.75Å
189	E	98.4	Very high	97.1	Very high	78 Å²	78	61.5 Å²	61.5	36%	0.364	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-26.9	-175.9	-67.5	-68.4	178.1	0	0	114	P411 L483 K487	E189-P411 HydrophobicContact CB-CG 4.28Å; E189-P411 HydrophobicContact CG-CG 4.03Å; E189-L483 HydrophobicContact CG-CD1 4.37Å; E189-K487 WeakPolarHBondContact OE2-CE 3.45Å; E189-K487 IonicContact OE2-NZ 3.84Å; E189-K487 PolarHBondContact OE2-NZ 3.4Å
190	F	98.4	Very high	96.9	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-135	26.5	-178.5	-56.4	-80.9	0	0	0	113.2	T188 P411 V414 L483 I486 K487 T493 M496 I497 N500	T188-F190 PolarHBondContact O-N 2.85Å; T188-F190 VanDerWaalsContact O-N 3.08Å; F190-P411 HydrophobicContact CE2-CG 4.39Å; F190-V414 HydrophobicContact CB-CG2 4.35Å; F190-V414 HydrophobicContact CD1-CG1 4.18Å; F190-V414 HydrophobicContact CD2-CB 4.04Å; F190-V414 HydrophobicContact CD2-CG1 4.15Å; F190-V414 HydrophobicContact CD2-CG2 3.67Å; F190-V414 HydrophobicContact CE1-CG1 3.96Å; F190-V414 HydrophobicContact CE2-CB 3.94Å; F190-V414 HydrophobicContact CE2-CG1 3.92Å; F190-V414 HydrophobicContact CE2-CG2 4.11Å; F190-V414 HydrophobicContact CG-CG1 4.27Å; F190-V414 HydrophobicContact CG-CG2 3.98Å; F190-V414 HydrophobicContact CZ-CB 4.35Å; F190-V414 HydrophobicContact CZ-CG1 3.82Å; F190-L483 HydrophobicContact CE2-CD2 3.73Å; F190-L483 HydrophobicContact CZ-CD2 3.74Å; F190-I486 HydrophobicContact CE1-CG2 3.74Å; F190-I486 HydrophobicContact CZ-CB 4.31Å; F190-I486 HydrophobicContact CZ-CD1 4.37Å; F190-I486 HydrophobicContact CZ-CG2 3.68Å; F190-K487 HydrophobicContact CE1-CG 4.37Å; F190-T493 HydrophobicContact CD1-CG2 4.43Å; F190-T493 HydrophobicContact CE1-CG2 4.31Å; F190-M496 HydrophobicContact CB-CG 4.31Å; F190-M496 HydrophobicContact CD1-CG 4.21Å; F190-M496 HydrophobicContact CG-CG 4.4Å; F190-I497 HydrophobicContact CB-CG1 4.43Å; F190-N500 WeakPolarHBondContact O-CB 3.33Å; F190-N500 PolarHBondContact O-ND2 2.89Å
191	C	98.1	Very high	96.5	Very high	4 Å²	4	58 Å²	58	3%	0.027	30%	0.295	C	S	.	.	S	Bend	trans	-164.5	134.2	175.7	-169.5	0	0	0	0	110.5	T188 E193 F409 N500	T188-C191 CarbonylContact C-O 3.25Å; T188-C191 WeakPolarHBondContact CA-O 3.37Å; T188-C191 PolarHBondContact O-N 2.85Å; C191-E193 PolarHBondContact O-N 2.87Å; C191-F409 HydrophobicContact CB-CD1 3.75Å; C191-F409 HydrophobicContact CB-CE1 3.91Å; C191-N500 HydrophobicContact CB-CB 4.33Å
192	G	97.7	Very high	96.2	Very high	28 Å²	28	55.5 Å²	55.5	29%	0.289	28%	0.284	S	S	.	.			trans	-55.2	133.9	174.4	0	0	0	0	0	113.8	E194 L195 L196 E501	G192-E194 VanDerWaalsContact C-N 3.34Å; G192-E194 PolarHBondContact O-N 3.41Å; G192-L195 PolarHBondContact O-N 3.02Å; G192-L196 PolarHBondContact O-N 3.49Å; G192-L196 VanDerWaalsContact O-N 3.07Å; G192-E501 PolarHBondContact N-OE1 3.1Å
193	E	97.5	Very high	95.8	Very high	118 Å²	118	53 Å²	53	55%	0.551	27%	0.271	S	S	*	.	H	α-helix	trans	-52	-47.1	-176.2	-174.2	175.8	-175.6	0	0	113.1	T188 C191 L195 L196 H197	T188-E193 HydrophobicContact CG2-CB 3.86Å; T188-E193 HydrophobicContact CG2-CG 4.1Å; C191-E193 PolarHBondContact O-N 2.87Å; E193-L195 VanDerWaalsContact C-N 3.31Å; E193-L195 PolarHBondContact O-N 2.83Å; E193-L196 PolarHBondContact O-N 3.32Å; E193-H197 VanDerWaalsContact CG-CE1 3.45Å; E193-H197 WeakPolarHBondContact CG-CE1 3.43Å; E193-H197 PolarHBondContact O-N 3.48Å; E193-H197 IonicContact OE1-CE1 3.48Å; E193-H197 PolarHBondContact OE1-CE1 3.12Å
194	E	95.6	Very high	95.4	Very high	167 Å²	167	51.4 Å²	51.4	78%	0.78	27%	0.267	S	S	*	.	H	α-helix	trans	-59.4	-38.8	179.4	-61.6	-174.8	166.4	0	0	112.7	G192 S198	G192-E194 VanDerWaalsContact C-N 3.34Å; G192-E194 PolarHBondContact O-N 3.41Å; E194-S198 WeakPolarHBondContact O-CB 3.44Å; E194-S198 PolarHBondContact O-N 2.71Å; E194-S198 PolarHBondContact O-OG 3.39Å
195	L	94.9	Very high	94.8	Very high	56 Å²	56	52.4 Å²	52.4	29%	0.293	27%	0.273	S	S	.	.	H	α-helix	trans	-73.3	-39.1	178.5	-74.5	173.2	0	0	0	111.7	G192 E193 S198 V199 E501 C504 I508	G192-L195 PolarHBondContact O-N 3.02Å; E193-L195 VanDerWaalsContact C-N 3.31Å; E193-L195 PolarHBondContact O-N 2.83Å; L195-S198 PolarHBondContact O-N 3.29Å; L195-V199 PolarHBondContact O-N 3.05Å; L195-E501 HydrophobicContact CD1-CB 3.74Å; L195-E501 HydrophobicContact CD1-CG 3.77Å; L195-C504 HydrophobicContact CB-CB 4.3Å; L195-I508 HydrophobicContact CD2-CD1 4.19Å
196	L	96.9	Very high	94.2	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-62.8	-50.7	175.9	179.8	58.9	0	0	0	110.9	T188 G192 E193 S198 V199 L200 F409	T188-L196 HydrophobicContact CG2-CD2 3.75Å; G192-L196 PolarHBondContact O-N 3.49Å; G192-L196 VanDerWaalsContact O-N 3.07Å; E193-L196 PolarHBondContact O-N 3.32Å; L196-S198 VanDerWaalsContact C-N 3.34Å; L196-S198 PolarHBondContact O-N 3.19Å; L196-V199 WeakPolarHBondContact O-CG1 3.44Å; L196-V199 PolarHBondContact O-N 3.11Å; L196-L200 HydrophobicContact CD1-CD1 3.97Å; L196-L200 HydrophobicContact CD1-CG 4.3Å; L196-L200 HydrophobicContact CG-CD1 4Å; L196-L200 WeakPolarHBondContact O-CB 3.42Å; L196-L200 WeakPolarHBondContact O-CG 3.5Å; L196-L200 PolarHBondContact O-N 2.72Å; L196-F409 HydrophobicContact CD1-CD1 4.33Å; L196-F409 HydrophobicContact CD1-CD2 3.61Å; L196-F409 HydrophobicContact CD1-CE1 4.31Å; L196-F409 HydrophobicContact CD1-CE2 3.57Å; L196-F409 HydrophobicContact CD1-CG 4.02Å; L196-F409 HydrophobicContact CD1-CZ 3.96Å
197	H	95.9	Very high	93.4	Very high	75 Å²	75	48.5 Å²	48.5	35%	0.347	26%	0.256	S	S	.	.	H	α-helix	trans	-63.1	-41.1	177.4	-66.8	178.5	0	0	0	111.5	E185 E193 V199 L200 Q201	E185-H197 PolarHBondContact O-CD2 2.78Å; E185-H197 PolarHBondContact O-NE2 3.19Å; E193-H197 VanDerWaalsContact CG-CE1 3.45Å; E193-H197 WeakPolarHBondContact CG-CE1 3.43Å; E193-H197 PolarHBondContact O-N 3.48Å; E193-H197 IonicContact OE1-CE1 3.48Å; E193-H197 PolarHBondContact OE1-CE1 3.12Å; H197-V199 PolarHBondContact O-N 3.21Å; H197-L200 PolarHBondContact O-N 3.05Å; H197-Q201 WeakPolarHBondContact O-CB 3.29Å; H197-Q201 PolarHBondContact O-N 2.83Å
198	S	94.5	Very high	92.5	Very high	48 Å²	48	51.5 Å²	51.5	34%	0.336	28%	0.275	S	S	.	.	H	α-helix	trans	-60.5	-45.3	176.9	-64.4	0	0	0	0	112.5	E194 L195 L196 Q201 C202	E194-S198 WeakPolarHBondContact O-CB 3.44Å; E194-S198 PolarHBondContact O-N 2.71Å; E194-S198 PolarHBondContact O-OG 3.39Å; L195-S198 PolarHBondContact O-N 3.29Å; L196-S198 VanDerWaalsContact C-N 3.34Å; L196-S198 PolarHBondContact O-N 3.19Å; S198-Q201 PolarHBondContact O-N 2.88Å; S198-C202 WeakPolarHBondContact O-CB 3.46Å; S198-C202 PolarHBondContact O-N 2.8Å; S198-C202 PolarHBondContact O-SG 2.9Å; S198-C202 VanDerWaalsContact O-SG 3.37Å
199	V	94.4	Very high	91.6	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-70.4	-36.7	179.9	74.8	0	0	0	0	112.1	L195 L196 H197 C202 K203 Q507 I508 L511	L195-V199 PolarHBondContact O-N 3.05Å; L196-V199 WeakPolarHBondContact O-CG1 3.44Å; L196-V199 PolarHBondContact O-N 3.11Å; H197-V199 PolarHBondContact O-N 3.21Å; V199-C202 PolarHBondContact O-N 2.79Å; V199-K203 VanDerWaalsContact O-CG 3.31Å; V199-K203 WeakPolarHBondContact O-CG 3.23Å; V199-K203 PolarHBondContact O-N 2.88Å; V199-Q507 HydrophobicContact CG2-CB 4.2Å; V199-Q507 HydrophobicContact CG2-CG 4.02Å; V199-I508 HydrophobicContact CB-CD1 4.04Å; V199-I508 HydrophobicContact CB-CG1 3.76Å; V199-I508 HydrophobicContact CG2-CG1 4.05Å; V199-L511 HydrophobicContact CG2-CD1 4.29Å
200	L	93.9	Very high	90.8	Very high	17 Å²	17	50.4 Å²	50.4	9%	0.089	27%	0.27	C	S	.	.	H	α-helix	trans	-64.7	-44.1	175	-68.6	169.7	0	0	0	111.4	I184 E185 L196 H197 K203 S204 N374	I184-L200 HydrophobicContact CG2-CD1 4.11Å; I184-L200 HydrophobicContact CG2-CD2 3.82Å; E185-L200 HydrophobicContact CB-CD1 4.24Å; L196-L200 HydrophobicContact CD1-CD1 3.97Å; L196-L200 HydrophobicContact CD1-CG 4.3Å; L196-L200 HydrophobicContact CG-CD1 4Å; L196-L200 WeakPolarHBondContact O-CB 3.42Å; L196-L200 WeakPolarHBondContact O-CG 3.5Å; L196-L200 PolarHBondContact O-N 2.72Å; H197-L200 PolarHBondContact O-N 3.05Å; L200-K203 PolarHBondContact O-N 2.79Å; L200-S204 PolarHBondContact O-N 2.81Å; L200-N374 HydrophobicContact CD2-CB 3.77Å
201	Q	91.4	Very high	90.1	Very high	129 Å²	129	51.8 Å²	51.8	60%	0.603	28%	0.284	S	S	*	.	H	α-helix	trans	-62.1	-46.3	174.7	-174.3	-179.8	1.3	0	0	111.4	H197 S198 K203 S204 V205	H197-Q201 WeakPolarHBondContact O-CB 3.29Å; H197-Q201 PolarHBondContact O-N 2.83Å; S198-Q201 PolarHBondContact O-N 2.88Å; Q201-K203 VanDerWaalsContact C-N 3.28Å; Q201-K203 PolarHBondContact O-N 3.23Å; Q201-S204 PolarHBondContact O-N 3.15Å; Q201-V205 WeakPolarHBondContact O-CG2 3.31Å; Q201-V205 PolarHBondContact O-N 3.01Å; Q201-V205 VanDerWaalsContact O-N 3.11Å
202	C	90.5	Very high	89.5	Confident	5 Å²	5	56 Å²	56	3%	0.034	30%	0.303	C	S	.	.	H	α-helix	trans	-63.5	-30.2	177.5	-76	0	0	0	0	113.4	S198 V199 F206 L511	S198-C202 WeakPolarHBondContact O-CB 3.46Å; S198-C202 PolarHBondContact O-N 2.8Å; S198-C202 PolarHBondContact O-SG 2.9Å; S198-C202 VanDerWaalsContact O-SG 3.37Å; V199-C202 PolarHBondContact O-N 2.79Å; C202-F206 WeakPolarHBondContact O-CD2 3.48Å; C202-F206 WeakPolarHBondContact O-CE2 3.5Å; C202-L511 HydrophobicContact CB-CB 3.93Å; C202-L511 HydrophobicContact CB-CD1 3.71Å; C202-L511 HydrophobicContact CB-CG 4.44Å
203	K	89.8	Confident	89	Confident	23 Å²	23	56.2 Å²	56.2	10%	0.1	30%	0.297	C	S	.	.	H	α-helix	trans	-67.2	-53.2	170.6	-73.7	167.5	-177.9	168.5	0	110	V199 L200 Q201 V205 F206 N374 D407 S440 L511	V199-K203 VanDerWaalsContact O-CG 3.31Å; V199-K203 WeakPolarHBondContact O-CG 3.23Å; V199-K203 PolarHBondContact O-N 2.88Å; L200-K203 PolarHBondContact O-N 2.79Å; Q201-K203 VanDerWaalsContact C-N 3.28Å; Q201-K203 PolarHBondContact O-N 3.23Å; K203-V205 VanDerWaalsContact C-N 3.25Å; K203-V205 PolarHBondContact O-N 3.29Å; K203-V205 VanDerWaalsContact O-N 3.16Å; K203-F206 PolarHBondContact O-N 3.48Å; K203-N374 WeakPolarHBondContact CB-OD1 3.44Å; K203-N374 WeakPolarHBondContact CD-OD1 3.36Å; K203-D407 IonicContact NZ-OD1 3.21Å; K203-D407 IonicContact NZ-OD2 3.91Å; K203-D407 PolarHBondContact NZ-OD2 3.02Å; K203-S440 WeakPolarHBondContact CE-OG 3.28Å; K203-S440 PolarHBondContact NZ-OG 3.01Å; K203-L511 HydrophobicContact CG-CD1 3.94Å
204	S	87.9	Confident	88.6	Confident	46 Å²	46	53.1 Å²	53.1	32%	0.322	28%	0.283	S	S	.	.	H	α-helix	trans	-68.6	-14	-174.6	-80.4	0	0	0	0	116.2	L200 Q201 F206 D207 N374	L200-S204 PolarHBondContact O-N 2.81Å; Q201-S204 PolarHBondContact O-N 3.15Å; S204-F206 PolarHBondContact O-N 3.31Å; S204-D207 VanDerWaalsContact CA-CG 3.49Å; S204-D207 WeakPolarHBondContact CA-OD1 3.4Å; S204-D207 VanDerWaalsContact CA-OD2 3.25Å; S204-D207 WeakPolarHBondContact CA-OD2 3.31Å; S204-D207 WeakPolarHBondContact CB-OD2 3.4Å; S204-D207 WeakPolarHBondContact O-CB 3.36Å; S204-D207 PolarHBondContact O-N 3.13Å; S204-D207 PolarHBondContact OG-OD2 3.23Å; S204-N374 PolarHBondContact OG-ND2 2.86Å
205	V	85	Confident	88.2	Confident	32 Å²	32	48.2 Å²	48.2	19%	0.194	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-23.5	167.9	164.7	0	0	0	0	112.4	F135 L139 Q201 K203	F135-V205 HydrophobicContact CD2-CG1 4Å; F135-V205 WeakPolarHBondContact CD2-O 3.31Å; F135-V205 HydrophobicContact CE2-CG1 3.79Å; L139-V205 HydrophobicContact CD2-CG2 4.32Å; Q201-V205 WeakPolarHBondContact O-CG2 3.31Å; Q201-V205 PolarHBondContact O-N 3.01Å; Q201-V205 VanDerWaalsContact O-N 3.11Å; K203-V205 VanDerWaalsContact C-N 3.25Å; K203-V205 PolarHBondContact O-N 3.29Å; K203-V205 VanDerWaalsContact O-N 3.16Å
206	F	83.4	Confident	88.1	Confident	18 Å²	18	51.4 Å²	51.4	8%	0.079	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-11.8	178.8	-62.5	-76	0	0	0	114.4	F135 C202 K203 S204 V208 L209 M214 L511 I514 H515	F135-F206 HydrophobicContact CE2-CD1 4.49Å; C202-F206 WeakPolarHBondContact O-CD2 3.48Å; C202-F206 WeakPolarHBondContact O-CE2 3.5Å; K203-F206 PolarHBondContact O-N 3.48Å; S204-F206 PolarHBondContact O-N 3.31Å; F206-V208 PolarHBondContact O-N 2.73Å; F206-V208 VanDerWaalsContact O-N 3.1Å; F206-L209 WeakPolarHBondContact O-CB 3.4Å; F206-L209 PolarHBondContact O-N 3.25Å; F206-M214 HydrophobicContact CB-CE 4.05Å; F206-M214 HydrophobicContact CD1-CE 3.94Å; F206-M214 HydrophobicContact CD1-CG 3.9Å; F206-M214 HydrophobicContact CD2-CE 4.06Å; F206-M214 HydrophobicContact CE1-CE 4.44Å; F206-M214 HydrophobicContact CE1-CG 4.37Å; F206-M214 HydrophobicContact CG-CE 3.72Å; F206-L511 HydrophobicContact CD2-CD2 4.03Å; F206-L511 HydrophobicContact CE2-CB 4.18Å; F206-L511 HydrophobicContact CE2-CD2 3.63Å; F206-L511 WeakPolarHBondContact CZ-O 3.49Å; F206-I514 HydrophobicContact CE1-CB 4.43Å; F206-I514 HydrophobicContact CE1-CG2 3.77Å; F206-I514 HydrophobicContact CZ-CB 4.07Å; F206-I514 HydrophobicContact CZ-CG2 3.92Å; F206-H515 HydrophobicContact CE1-CB 4.36Å; F206-H515 HydrophobicContact CZ-CB 3.94Å
207	D	81	Confident	88	Confident	101 Å²	101	51.4 Å²	51.4	54%	0.54	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-24.2	-179	-57.9	-9.7	0	0	0	112.5	S204	S204-D207 VanDerWaalsContact CA-CG 3.49Å; S204-D207 WeakPolarHBondContact CA-OD1 3.4Å; S204-D207 VanDerWaalsContact CA-OD2 3.25Å; S204-D207 WeakPolarHBondContact CA-OD2 3.31Å; S204-D207 WeakPolarHBondContact CB-OD2 3.4Å; S204-D207 WeakPolarHBondContact O-CB 3.36Å; S204-D207 PolarHBondContact O-N 3.13Å; S204-D207 PolarHBondContact OG-OD2 3.23Å
208	V	79.6	Confident	88	Confident	82 Å²	82	48.8 Å²	48.8	50%	0.497	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	1.9	178.1	-59.9	0	0	0	0	113.9	F135 F206	F135-V208 HydrophobicContact CB-CG2 4.45Å; F135-V208 HydrophobicContact CD2-CG2 4.26Å; F206-V208 PolarHBondContact O-N 2.73Å; F206-V208 VanDerWaalsContact O-N 3.1Å
209	L	78.8	Confident	88	Confident	21 Å²	21	48.7 Å²	48.7	11%	0.11	25%	0.25	C	C	.	.	S	Bend	trans	-98.1	148.1	-175.5	-147.5	94.6	0	0	0	112.8	L132 F135 F206 G211 E213 M214 V518	L132-L209 HydrophobicContact CD1-CD1 4.21Å; F135-L209 HydrophobicContact CD1-CD1 4.1Å; F135-L209 HydrophobicContact CD2-CD1 3.71Å; F135-L209 HydrophobicContact CE1-CD1 3.79Å; F135-L209 HydrophobicContact CE2-CD1 3.38Å; F135-L209 HydrophobicContact CG-CD1 4.07Å; F135-L209 HydrophobicContact CZ-CD1 3.42Å; F135-L209 VanDerWaalsContact CZ-CD1 3.42Å; F206-L209 WeakPolarHBondContact O-CB 3.4Å; F206-L209 PolarHBondContact O-N 3.25Å; L209-G211 PolarHBondContact O-N 2.68Å; L209-E213 HydrophobicContact CD2-CB 4.09Å; L209-E213 HydrophobicContact CD2-CG 4.36Å; L209-M214 HydrophobicContact CD2-CB 3.69Å; L209-M214 HydrophobicContact CD2-CG 4.42Å; L209-V518 HydrophobicContact CD1-CG1 4.02Å; L209-V518 HydrophobicContact CD2-CG1 4.18Å; L209-V518 HydrophobicContact CD2-CG2 3.97Å
210	D	81.9	Confident	88.1	Confident	89 Å²	89	51.9 Å²	51.9	48%	0.476	26%	0.262	S	S	.	.			trans	-63.7	126.3	164.4	168.6	61.2	0	0	0	111	E212 E213 M214 R216	D210-E212 VanDerWaalsContact C-N 3.27Å; D210-E212 PolarHBondContact O-N 3.08Å; D210-E212 WeakPolarHBondContact OD2-CB 3.3Å; D210-E212 PolarHBondContact OD2-N 3.12Å; D210-E213 HydrophobicContact CB-CB 4.19Å; D210-E213 WeakPolarHBondContact O-CB 3.21Å; D210-E213 PolarHBondContact O-N 3.22Å; D210-E213 PolarHBondContact OD2-N 3.22Å; D210-M214 PolarHBondContact O-N 2.81Å; D210-R216 IonicContact OD2-NH2 2.86Å
211	G	82.6	Confident	88.2	Confident	29 Å²	29	51.3 Å²	51.3	30%	0.299	26%	0.259	S	S	.	.	H	α-helix	trans	-59.9	-33.3	-177	0	0	0	0	0	113.7	L209 M214 R215	L209-G211 PolarHBondContact O-N 2.68Å; G211-M214 PolarHBondContact O-N 2.67Å; G211-R215 WeakPolarHBondContact O-CB 3.27Å; G211-R215 WeakPolarHBondContact O-CG 3.47Å; G211-R215 PolarHBondContact O-N 3.04Å
212	E	86.4	Confident	88.5	Confident	92 Å²	92	45.5 Å²	45.5	43%	0.43	23%	0.233	S	C	.	.	H	α-helix	trans	-69.9	-36.7	175.5	-80.6	-57.2	120.7	0	0	112.6	D210 R215 R216	D210-E212 VanDerWaalsContact C-N 3.27Å; D210-E212 PolarHBondContact O-N 3.08Å; D210-E212 WeakPolarHBondContact OD2-CB 3.3Å; D210-E212 PolarHBondContact OD2-N 3.12Å; E212-R215 IonicContact OE1-CZ 2.71Å; E212-R215 IonicContact OE1-NE 3.47Å; E212-R215 PolarHBondContact OE1-NE 3.03Å; E212-R215 IonicContact OE1-NH2 3.73Å; E212-R215 PolarHBondContact OE1-NH2 3.49Å; E212-R216 WeakPolarHBondContact O-CB 3.22Å; E212-R216 VanDerWaalsContact O-CG 3.31Å; E212-R216 WeakPolarHBondContact O-CG 3.23Å; E212-R216 PolarHBondContact O-N 2.85Å; E212-R216 VanDerWaalsContact O-N 3.1Å; E212-R216 PolarHBondContact O-NE 3.13Å
213	E	87.4	Confident	88.9	Confident	32 Å²	32	45.7 Å²	45.7	15%	0.15	23%	0.234	C	C	.	.	H	α-helix	trans	-64.8	-43.7	172.5	-164.6	165.2	-136	0	0	111.6	R126 L209 D210 R216 A217 V518	R126-E213 IonicContact CZ-OE1 2.7Å; R126-E213 IonicContact CZ-OE2 3.74Å; R126-E213 IonicContact NE-OE1 2.72Å; R126-E213 PolarHBondContact NE-OE1 3.28Å; R126-E213 IonicContact NE-OE2 2.82Å; R126-E213 PolarHBondContact NE-OE2 2.82Å; R126-E213 IonicContact NH2-OE1 3.68Å; R126-E213 IonicContact NH2-OE2 3.71Å; R126-E213 PolarHBondContact NH2-OE2 3Å; L209-E213 HydrophobicContact CD2-CB 4.09Å; L209-E213 HydrophobicContact CD2-CG 4.36Å; D210-E213 HydrophobicContact CB-CB 4.19Å; D210-E213 WeakPolarHBondContact O-CB 3.21Å; D210-E213 PolarHBondContact O-N 3.22Å; D210-E213 PolarHBondContact OD2-N 3.22Å; E213-R216 PolarHBondContact O-N 3.06Å; E213-A217 PolarHBondContact O-N 3.31Å; E213-V518 HydrophobicContact CG-CG1 4.29Å
214	M	87.9	Confident	89.3	Confident	53 Å²	53	46.5 Å²	46.5	26%	0.261	24%	0.237	S	C	.	.	H	α-helix	trans	-61.1	-49.5	175.2	-166	-147.1	-169.6	0	0	111.3	F206 L209 D210 G211 R216 A217 R218 I514	F206-M214 HydrophobicContact CB-CE 4.05Å; F206-M214 HydrophobicContact CD1-CE 3.94Å; F206-M214 HydrophobicContact CD1-CG 3.9Å; F206-M214 HydrophobicContact CD2-CE 4.06Å; F206-M214 HydrophobicContact CE1-CE 4.44Å; F206-M214 HydrophobicContact CE1-CG 4.37Å; F206-M214 HydrophobicContact CG-CE 3.72Å; L209-M214 HydrophobicContact CD2-CB 3.69Å; L209-M214 HydrophobicContact CD2-CG 4.42Å; D210-M214 PolarHBondContact O-N 2.81Å; G211-M214 PolarHBondContact O-N 2.67Å; M214-R216 VanDerWaalsContact C-N 3.28Å; M214-R216 PolarHBondContact O-N 3Å; M214-A217 PolarHBondContact O-N 2.83Å; M214-R218 WeakPolarHBondContact O-CB 3.39Å; M214-R218 PolarHBondContact O-N 2.94Å; M214-I514 HydrophobicContact CG-CG2 4.37Å
215	R	88.9	Confident	89.7	Confident	65 Å²	65	44.8 Å²	44.8	25%	0.245	22%	0.224	C	C	.	.	H	α-helix	trans	-58.6	-38.7	179	-78.5	-171.5	-79.6	-88.2	0.2	112.1	D32 G211 E212 T219	D32-R215 WeakPolarHBondContact OD2-CD 3.41Å; D32-R215 IonicContact OD2-CZ 2.73Å; D32-R215 IonicContact OD2-NE 3.78Å; D32-R215 IonicContact OD2-NH1 2.68Å; D32-R215 PolarHBondContact OD2-NH1 3.32Å; G211-R215 WeakPolarHBondContact O-CB 3.27Å; G211-R215 WeakPolarHBondContact O-CG 3.47Å; G211-R215 PolarHBondContact O-N 3.04Å; E212-R215 IonicContact OE1-CZ 2.71Å; E212-R215 IonicContact OE1-NE 3.47Å; E212-R215 PolarHBondContact OE1-NE 3.03Å; E212-R215 IonicContact OE1-NH2 3.73Å; E212-R215 PolarHBondContact OE1-NH2 3.49Å; R215-T219 WeakPolarHBondContact O-CB 3.35Å; R215-T219 PolarHBondContact O-N 3.23Å; R215-T219 PolarHBondContact O-OG1 3.05Å
216	R	92.6	Very high	90.3	Very high	122 Å²	122	47 Å²	47	46%	0.46	23%	0.233	S	C	.	.	H	α-helix	trans	-68.5	-42.1	176.5	-77.5	174.6	-72.3	177.4	-2.7	112.9	D210 E212 E213 M214 T219 R220	D210-R216 IonicContact OD2-NH2 2.86Å; E212-R216 WeakPolarHBondContact O-CB 3.22Å; E212-R216 VanDerWaalsContact O-CG 3.31Å; E212-R216 WeakPolarHBondContact O-CG 3.23Å; E212-R216 PolarHBondContact O-N 2.85Å; E212-R216 VanDerWaalsContact O-N 3.1Å; E212-R216 PolarHBondContact O-NE 3.13Å; E213-R216 PolarHBondContact O-N 3.06Å; M214-R216 VanDerWaalsContact C-N 3.28Å; M214-R216 PolarHBondContact O-N 3Å; R216-T219 PolarHBondContact O-N 3.38Å; R216-R220 PolarHBondContact O-N 3.21Å; R216-R220 PolarHBondContact O-NH1 2.76Å
217	A	94	Very high	91	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-65.4	-48.1	174.4	0	0	0	0	0	111.6	E213 M214 T219 R220 A221 I514 F517 V518	E213-A217 PolarHBondContact O-N 3.31Å; M214-A217 PolarHBondContact O-N 2.83Å; A217-T219 PolarHBondContact O-N 2.98Å; A217-R220 PolarHBondContact O-N 2.91Å; A217-A221 WeakPolarHBondContact O-CB 3.36Å; A217-A221 PolarHBondContact O-N 3.22Å; A217-I514 HydrophobicContact CB-CG2 4.23Å; A217-F517 HydrophobicContact CB-CB 4.13Å; A217-V518 HydrophobicContact CB-CB 4.25Å; A217-V518 HydrophobicContact CB-CG2 3.35Å
218	R	95.2	Very high	91.7	Very high	21 Å²	21	48.6 Å²	48.6	8%	0.079	23%	0.231	C	C	.	.	H	α-helix	trans	-53.7	-39.6	174.8	-174.1	-175.3	56.3	53.6	0.4	112.8	M214 R220 A221 N222 E225 R436 I514	M214-R218 WeakPolarHBondContact O-CB 3.39Å; M214-R218 PolarHBondContact O-N 2.94Å; R218-R220 VanDerWaalsContact C-N 3.32Å; R218-R220 PolarHBondContact O-N 2.85Å; R218-A221 PolarHBondContact O-N 3.45Å; R218-N222 WeakPolarHBondContact O-CB 3.35Å; R218-N222 PolarHBondContact O-N 2.84Å; R218-E225 IonicContact CZ-OE1 2.8Å; R218-E225 IonicContact NH1-OE1 3.5Å; R218-E225 PolarHBondContact NH1-OE1 2.87Å; R218-E225 IonicContact NH1-OE2 2.79Å; R218-E225 PolarHBondContact NH1-OE2 2.85Å; R218-E225 VanDerWaalsContact NH1-OE2 3.11Å; R218-R436 VanDerWaalsContact NH1-CZ 3.3Å; R218-R436 VanDerWaalsContact NH2-NH2 3.2Å; R218-I514 HydrophobicContact CB-CD1 4.01Å; R218-I514 HydrophobicContact CB-CG1 4.36Å; R218-I514 HydrophobicContact CG-CD1 3.8Å
219	T	95.2	Very high	92.3	Very high	45 Å²	45	45.2 Å²	45.2	28%	0.276	21%	0.212	S	C	.	.	H	α-helix	trans	-65.3	-33.2	178	-62.2	0	0	0	0	112.9	R215 R216 A217 E225 Q528	R215-T219 WeakPolarHBondContact O-CB 3.35Å; R215-T219 PolarHBondContact O-N 3.23Å; R215-T219 PolarHBondContact O-OG1 3.05Å; R216-T219 PolarHBondContact O-N 3.38Å; A217-T219 PolarHBondContact O-N 2.98Å; T219-E225 HydrophobicContact CG2-CG 4.18Å; T219-Q528 PolarHBondContact O-NE2 3Å
220	R	96.5	Very high	93.1	Very high	67 Å²	67	45.4 Å²	45.4	25%	0.253	21%	0.214	S	C	.	.	H	α-helix	trans	-81	-34	174.9	-67.6	-167.7	-56.6	-79.7	2.9	112.9	R216 A217 R218 F517 L523 E525	R216-R220 PolarHBondContact O-N 3.21Å; R216-R220 PolarHBondContact O-NH1 2.76Å; A217-R220 PolarHBondContact O-N 2.91Å; R218-R220 VanDerWaalsContact C-N 3.32Å; R218-R220 PolarHBondContact O-N 2.85Å; R220-F517 HydrophobicContact CB-CD1 3.69Å; R220-F517 HydrophobicContact CB-CE1 4.01Å; R220-F517 PolarHBondContact NH2-O 3.48Å; R220-F517 WeakPolarHBondContact O-CE1 3.48Å; R220-L523 PolarHBondContact NE-O 3.27Å; R220-E525 WeakPolarHBondContact O-CB 3.44Å; R220-E525 WeakPolarHBondContact O-CG 3.06Å; R220-E525 PolarHBondContact O-N 2.86Å
221	A	96.9	Very high	93.7	Very high	5 Å²	5	41.8 Å²	41.8	4%	0.041	19%	0.194	C	C	.	.	H	α-helix	trans	-82.5	-27.4	-173.3	0	0	0	0	0	114.8	A217 R218 P223 K513 I514 F517	A217-A221 WeakPolarHBondContact O-CB 3.36Å; A217-A221 PolarHBondContact O-N 3.22Å; R218-A221 PolarHBondContact O-N 3.45Å; A221-P223 WeakPolarHBondContact O-CD 3.35Å; A221-K513 HydrophobicContact CB-CG 4.24Å; A221-K513 WeakPolarHBondContact O-CE 3.35Å; A221-K513 PolarHBondContact O-NZ 2.83Å; A221-I514 HydrophobicContact CB-CG1 4.13Å; A221-F517 VanDerWaalsContact CA-CE1 3.49Å; A221-F517 HydrophobicContact CB-CB 4.21Å; A221-F517 HydrophobicContact CB-CD1 3.73Å; A221-F517 HydrophobicContact CB-CD2 4.11Å; A221-F517 HydrophobicContact CB-CE1 3.98Å; A221-F517 HydrophobicContact CB-CE2 4.33Å; A221-F517 HydrophobicContact CB-CG 3.77Å; A221-F517 HydrophobicContact CB-CZ 4.27Å
222	N	97.7	Very high	94.3	Very high	7 Å²	7	40.6 Å²	40.6	4%	0.037	18%	0.181	C	C	.	.			trans	-82.6	114	179.9	174.9	16.8	0	0	0	110.8	R218 Y224 E225 P437 Q528	R218-N222 WeakPolarHBondContact O-CB 3.35Å; R218-N222 PolarHBondContact O-N 2.84Å; N222-Y224 PolarHBondContact O-N 2.92Å; N222-Y224 VanDerWaalsContact O-N 3.14Å; N222-Y224 PolarHBondContact OD1-N 3.1Å; N222-E225 HydrophobicContact CB-CB 4.08Å; N222-E225 PolarHBondContact ND2-OE2 2.9Å; N222-E225 PolarHBondContact O-N 3.06Å; N222-P437 HydrophobicContact CB-CG 4.41Å; N222-Q528 PolarHBondContact O-NE2 2.72Å
223	P	97.7	Very high	94.6	Very high	10 Å²	10	37.4 Å²	37.4	7%	0.065	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-17.8	-179	27.1	-35	0	0	0	113.6	P149 A221 E525 Q528 I531	P149-P223 HydrophobicContact CB-CB 3.59Å; P149-P223 HydrophobicContact CB-CG 3.69Å; P149-P223 HydrophobicContact CG-CB 3.62Å; P149-P223 HydrophobicContact CG-CG 3.61Å; A221-P223 WeakPolarHBondContact O-CD 3.35Å; P223-E525 HydrophobicContact CB-CG 4.23Å; P223-Q528 WeakPolarHBondContact O-CA 3.5Å; P223-I531 HydrophobicContact CB-CD1 3.96Å
224	Y	98.1	Very high	94.8	Very high	39 Å²	39	37.5 Å²	37.5	15%	0.153	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-2.5	-177.8	-50.2	-67.8	0	0	0	114	P149 S150 N222 M226 I227 I433 I531	P149-Y224 WeakPolarHBondContact CA-OH 3.39Å; P149-Y224 HydrophobicContact CB-CE1 4.39Å; S150-Y224 PolarHBondContact N-OH 3.2Å; S150-Y224 WeakPolarHBondContact O-CE1 3.46Å; S150-Y224 PolarHBondContact O-OH 2.84Å; N222-Y224 PolarHBondContact O-N 2.92Å; N222-Y224 VanDerWaalsContact O-N 3.14Å; N222-Y224 PolarHBondContact OD1-N 3.1Å; Y224-M226 VanDerWaalsContact C-N 3.25Å; Y224-M226 PolarHBondContact O-N 3.22Å; Y224-M226 VanDerWaalsContact O-N 3.12Å; Y224-I227 WeakPolarHBondContact O-CB 3.3Å; Y224-I227 WeakPolarHBondContact O-CG1 3.26Å; Y224-I227 PolarHBondContact O-N 3.31Å; Y224-I227 VanDerWaalsContact O-N 3.14Å; Y224-I433 VanDerWaalsContact CB-O 3.32Å; Y224-I433 WeakPolarHBondContact CB-O 3.44Å; Y224-I433 HydrophobicContact CD1-CB 3.89Å; Y224-I433 HydrophobicContact CD1-CD1 3.85Å; Y224-I433 HydrophobicContact CD1-CG1 4.14Å; Y224-I433 HydrophobicContact CD2-CB 3.8Å; Y224-I433 HydrophobicContact CD2-CG2 4.32Å; Y224-I433 WeakPolarHBondContact CD2-O 3.26Å; Y224-I433 HydrophobicContact CE1-CB 3.91Å; Y224-I433 HydrophobicContact CE1-CD1 3.74Å; Y224-I433 HydrophobicContact CE1-CG1 4.3Å; Y224-I433 HydrophobicContact CE1-CG2 4.07Å; Y224-I433 HydrophobicContact CE2-CB 3.79Å; Y224-I433 HydrophobicContact CE2-CG2 3.79Å; Y224-I433 HydrophobicContact CG-CB 3.85Å; Y224-I433 HydrophobicContact CG-CG1 4.43Å; Y224-I531 HydrophobicContact CD1-CG2 3.54Å; Y224-I531 HydrophobicContact CE1-CG2 3.68Å
225	E	97.6	Very high	95.1	Very high	11 Å²	11	37 Å²	37	5%	0.051	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-24.4	-168.5	-164.2	77.7	-165.6	0	0	113.8	R218 T219 N222 I227 R228 R436	R218-E225 IonicContact CZ-OE1 2.8Å; R218-E225 IonicContact NH1-OE1 3.5Å; R218-E225 PolarHBondContact NH1-OE1 2.87Å; R218-E225 IonicContact NH1-OE2 2.79Å; R218-E225 PolarHBondContact NH1-OE2 2.85Å; R218-E225 VanDerWaalsContact NH1-OE2 3.11Å; T219-E225 HydrophobicContact CG2-CG 4.18Å; N222-E225 HydrophobicContact CB-CB 4.08Å; N222-E225 PolarHBondContact ND2-OE2 2.9Å; N222-E225 PolarHBondContact O-N 3.06Å; E225-I227 VanDerWaalsContact C-N 3.27Å; E225-I227 PolarHBondContact O-N 2.84Å; E225-R228 WeakPolarHBondContact O-CG 3.45Å; E225-R436 IonicContact OE1-CZ 2.84Å; E225-R436 IonicContact OE1-NE 3.58Å; E225-R436 PolarHBondContact OE1-NE 3.42Å; E225-R436 IonicContact OE1-NH2 2.8Å; E225-R436 PolarHBondContact OE1-NH2 2.89Å; E225-R436 IonicContact OE2-NE 2.6Å
226	M	97.2	Very high	95.4	Very high	79 Å²	79	34.5 Å²	34.5	39%	0.389	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-13.7	178.7	-73.5	-171.2	73.9	0	0	114.3	Y224 Q528 A529 R532	Y224-M226 VanDerWaalsContact C-N 3.25Å; Y224-M226 PolarHBondContact O-N 3.22Å; Y224-M226 VanDerWaalsContact O-N 3.12Å; M226-Q528 HydrophobicContact CB-CB 4.25Å; M226-Q528 HydrophobicContact CG-CB 3.73Å; M226-Q528 HydrophobicContact CG-CG 4.5Å; M226-Q528 HydrophobicContact SD-CB 3.52Å; M226-Q528 VanDerWaalsContact SD-CB 3.52Å; M226-A529 HydrophobicContact CE-CB 4.24Å; M226-A529 HydrophobicContact SD-CB 4.08Å; M226-R532 HydrophobicContact CB-CB 4.31Å; M226-R532 WeakPolarHBondContact O-CD 3.4Å; M226-R532 PolarHBondContact O-NE 3.09Å
227	I	97.4	Very high	95.6	Very high	4 Å²	4	28.7 Å²	28.7	2%	0.021	14%	0.135	C	C	.	.			trans	-61.5	-47.9	175.5	-62.1	174.7	0	0	0	110.5	Y224 E225 V230 M238 T434 R532 C535 W539	Y224-I227 WeakPolarHBondContact O-CB 3.3Å; Y224-I227 WeakPolarHBondContact O-CG1 3.26Å; Y224-I227 PolarHBondContact O-N 3.31Å; Y224-I227 VanDerWaalsContact O-N 3.14Å; E225-I227 VanDerWaalsContact C-N 3.27Å; E225-I227 PolarHBondContact O-N 2.84Å; I227-V230 WeakPolarHBondContact O-CG2 3.43Å; I227-V230 PolarHBondContact O-N 2.68Å; I227-M238 HydrophobicContact CG2-CB 4.33Å; I227-M238 HydrophobicContact CG2-CE 3.85Å; I227-M238 HydrophobicContact CG2-CG 4.33Å; I227-T434 HydrophobicContact CD1-CG2 4.35Å; I227-T434 HydrophobicContact CG2-CG2 4.25Å; I227-R532 HydrophobicContact CG1-CB 4.3Å; I227-R532 HydrophobicContact CG1-CG 4.39Å; I227-C535 HydrophobicContact CD1-CB 3.94Å; I227-W539 HydrophobicContact CD1-CH2 3.85Å; I227-W539 HydrophobicContact CD1-CZ3 4.11Å; I227-W539 HydrophobicContact CG2-CZ3 4.14Å
228	R	95.3	Very high	95.8	Very high	148 Å²	148	28.7 Å²	28.7	56%	0.558	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	49	-134.2	179.7	-56.3	-171.3	171.6	-174	-5.2	112.2	E225 M238	E225-R228 WeakPolarHBondContact O-CG 3.45Å; R228-M238 VanDerWaalsContact O-CG 3.3Å; R228-M238 WeakPolarHBondContact O-CG 3.24Å
229	G	93.3	Very high	96	Very high	10 Å²	10	28.6 Å²	28.6	10%	0.103	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-4.2	175.2	0	0	0	0	0	114.3	F231 F232 N234	G229-F231 PolarHBondContact O-N 3.17Å; G229-F231 VanDerWaalsContact O-N 3.08Å; G229-F232 WeakPolarHBondContact O-CB 3.4Å; G229-F232 WeakPolarHBondContact O-CD2 3.37Å; G229-F232 PolarHBondContact O-N 2.92Å; G229-N234 WeakPolarHBondContact CA-O 3.34Å
230	V	95.9	Very high	96.1	Very high	25 Å²	25	26.4 Å²	26.4	15%	0.152	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	-110.2	-173.2	-162	0	0	0	0	111.5	I227 M238 L536 Q544	I227-V230 WeakPolarHBondContact O-CG2 3.43Å; I227-V230 PolarHBondContact O-N 2.68Å; V230-M238 HydrophobicContact CB-SD 4.34Å; V230-M238 HydrophobicContact CG2-CE 3.97Å; V230-M238 HydrophobicContact CG2-CG 4.08Å; V230-M238 HydrophobicContact CG2-SD 3.67Å; V230-L536 HydrophobicContact CG1-CD1 4.29Å; V230-L536 HydrophobicContact CG2-CD1 4.24Å; V230-L536 HydrophobicContact CG2-CD2 3.6Å; V230-Q544 WeakPolarHBondContact CG1-O 3.47Å
231	F	94.6	Very high	96.2	Very high	13 Å²	13	23.2 Å²	23.2	6%	0.057	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-9	175	57.4	-94	0	0	0	113.9	G229 W289 S315 I541 P542 Q544 R546	G229-F231 PolarHBondContact O-N 3.17Å; G229-F231 VanDerWaalsContact O-N 3.08Å; F231-W289 AromaticContact CE2-CD1 3.94Å; F231-W289 HydrophobicContact CE2-CD2 4.19Å; F231-W289 AromaticContact CE2-CE2 3.86Å; F231-W289 HydrophobicContact CE2-CG 4.26Å; F231-W289 HydrophobicContact CE2-CZ2 4.38Å; F231-W289 AromaticContact CE2-NE1 3.65Å; F231-W289 HydrophobicContact CZ-CD2 4.23Å; F231-W289 AromaticContact CZ-CE2 3.67Å; F231-W289 HydrophobicContact CZ-CH2 4.28Å; F231-W289 AromaticContact CZ-CZ2 3.73Å; F231-W289 HydrophobicContact CZ-CZ2 3.73Å; F231-W289 AromaticContact CZ-NE1 3.86Å; F231-S315 WeakPolarHBondContact CD2-OG 3.18Å; F231-S315 PolarHBondContact O-OG 3.35Å; F231-I541 HydrophobicContact CE1-CG2 3.62Å; F231-I541 HydrophobicContact CZ-CG2 4.09Å; F231-P542 HydrophobicContact CD1-CG 4.39Å; F231-P542 WeakPolarHBondContact CD1-O 3.49Å; F231-P542 HydrophobicContact CE1-CG 3.6Å; F231-P542 VanDerWaalsContact CE1-O 3.28Å; F231-P542 WeakPolarHBondContact CE1-O 3.49Å; F231-P542 HydrophobicContact CZ-CG 4.01Å; F231-Q544 HydrophobicContact CD1-CB 4.31Å; F231-R546 WeakPolarHBondContact O-CB 3.45Å; F231-R546 WeakPolarHBondContact O-CD 3.23Å; F231-R546 WeakPolarHBondContact O-CG 3.48Å
232	F	95.7	Very high	96.3	Very high	5 Å²	5	23 Å²	23	2%	0.022	11%	0.108	C	C	.	.	S	Bend	trans	-78	165.6	177.9	-59.9	-75.1	0	0	0	112.9	G229 N234 A237 M238 E285 Y286 W289 I541 R546	G229-F232 WeakPolarHBondContact O-CB 3.4Å; G229-F232 WeakPolarHBondContact O-CD2 3.37Å; G229-F232 PolarHBondContact O-N 2.92Å; F232-N234 VanDerWaalsContact C-N 3.34Å; F232-N234 PolarHBondContact O-N 3.31Å; F232-A237 HydrophobicContact CB-CB 3.39Å; F232-A237 HydrophobicContact CD1-CB 3.98Å; F232-A237 HydrophobicContact CD2-CB 3.97Å; F232-A237 HydrophobicContact CG-CB 3.53Å; F232-M238 HydrophobicContact CD2-CG 4.32Å; F232-M238 HydrophobicContact CD2-SD 3.69Å; F232-M238 HydrophobicContact CE2-SD 3.73Å; F232-E285 WeakPolarHBondContact CA-OE2 3.43Å; F232-E285 WeakPolarHBondContact CB-OE2 3.48Å; F232-E285 HydrophobicContact CD1-CB 4.49Å; F232-E285 HydrophobicContact CD1-CG 4.08Å; F232-Y286 HydrophobicContact CE1-CD2 4.49Å; F232-Y286 AromaticContact CZ-CD2 3.93Å; F232-Y286 HydrophobicContact CZ-CD2 3.93Å; F232-W289 HydrophobicContact CE1-CB 3.93Å; F232-W289 HydrophobicContact CE1-CD2 4.07Å; F232-W289 HydrophobicContact CE1-CE3 4.18Å; F232-W289 AromaticContact CE1-CG 3.96Å; F232-W289 HydrophobicContact CE1-CG 3.96Å; F232-W289 AromaticContact CZ-CD2 3.9Å; F232-W289 HydrophobicContact CZ-CD2 3.9Å; F232-W289 AromaticContact CZ-CE3 3.71Å; F232-W289 HydrophobicContact CZ-CE3 3.71Å; F232-W289 HydrophobicContact CZ-CG 4.28Å; F232-W289 HydrophobicContact CZ-CZ3 4.2Å; F232-I541 HydrophobicContact CE2-CG2 4.36Å; F232-R546 WeakPolarHBondContact O-CD 3.33Å
233	L	91.6	Very high	96.4	Very high	25 Å²	25	22.7 Å²	22.7	13%	0.131	11%	0.106	C	C	.	.	S	Bend	trans	-66.5	-30.7	-172.6	72.9	90.1	0	0	0	114.4	P280 E285 F313 R546	L233-P280 HydrophobicContact CD1-CB 4.17Å; L233-P280 HydrophobicContact CD1-CG 3.63Å; L233-E285 WeakPolarHBondContact CB-OE2 3.29Å; L233-E285 HydrophobicContact CD2-CB 4.1Å; L233-E285 HydrophobicContact CD2-CG 4.49Å; L233-E285 WeakPolarHBondContact CD2-OE2 3.47Å; L233-E285 WeakPolarHBondContact CG-OE2 3.47Å; L233-E285 PolarHBondContact N-OE2 3.01Å; L233-F313 HydrophobicContact CD2-CD1 3.51Å; L233-F313 HydrophobicContact CD2-CE1 3.46Å; L233-F313 VanDerWaalsContact CD2-CE1 3.46Å; L233-F313 HydrophobicContact CD2-CZ 4.44Å; L233-R546 VanDerWaalsContact CA-CZ 3.49Å; L233-R546 PolarHBondContact O-NH1 3.48Å
234	N	92.4	Very high	96.4	Very high	34 Å²	34	22.2 Å²	22.2	18%	0.182	10%	0.103	C	C	.	.	S	Bend	trans	-152	177.7	176.5	68.6	15.9	0	0	0	112	G229 F232 A236 A237	G229-N234 WeakPolarHBondContact CA-O 3.34Å; F232-N234 VanDerWaalsContact C-N 3.34Å; F232-N234 PolarHBondContact O-N 3.31Å; N234-A236 VanDerWaalsContact C-N 3.26Å; N234-A236 PolarHBondContact O-N 3.36Å; N234-A236 WeakPolarHBondContact OD1-CA 3.49Å; N234-A236 VanDerWaalsContact OD1-CB 3.28Å; N234-A236 WeakPolarHBondContact OD1-CB 3.24Å; N234-A236 PolarHBondContact OD1-N 3.44Å; N234-A237 PolarHBondContact OD1-N 3.07Å
235	R	94.3	Very high	96.5	Very high	42 Å²	42	23.6 Å²	23.6	16%	0.158	11%	0.11	C	C	.	.	H	α-helix	trans	-65.2	-24.5	176.7	-61.1	-176.1	-76.5	-113.7	-2.8	113.8	S31 D32 D33 A237 M238 K239	S31-R235 PolarHBondContact OG-NH2 3.42Å; D32-R235 PolarHBondContact O-NH2 3.32Å; D33-R235 IonicContact OD2-CZ 2.62Å; D33-R235 IonicContact OD2-NH1 2.69Å; D33-R235 PolarHBondContact OD2-NH1 2.98Å; D33-R235 IonicContact OD2-NH2 3.68Å; R235-A237 VanDerWaalsContact C-N 3.34Å; R235-A237 PolarHBondContact O-N 3.15Å; R235-M238 PolarHBondContact O-N 3.04Å; R235-K239 PolarHBondContact O-N 3.15Å
236	A	94.9	Very high	96.5	Very high	12 Å²	12	24.2 Å²	24.2	10%	0.099	11%	0.114	C	C	.	.	H	α-helix	trans	-65.6	-38	-177.3	0	0	0	0	0	111.4	N234 M238 K239 M240 F283	N234-A236 VanDerWaalsContact C-N 3.26Å; N234-A236 PolarHBondContact O-N 3.36Å; N234-A236 WeakPolarHBondContact OD1-CA 3.49Å; N234-A236 VanDerWaalsContact OD1-CB 3.28Å; N234-A236 WeakPolarHBondContact OD1-CB 3.24Å; N234-A236 PolarHBondContact OD1-N 3.44Å; A236-M238 PolarHBondContact O-N 3.07Å; A236-K239 WeakPolarHBondContact O-CA 3.45Å; A236-K239 WeakPolarHBondContact O-CB 3.29Å; A236-K239 PolarHBondContact O-N 3.35Å; A236-M240 PolarHBondContact O-N 3.38Å; A236-F283 HydrophobicContact CB-CD1 3.9Å; A236-F283 HydrophobicContact CB-CE1 3.79Å; A236-F283 VanDerWaalsContact O-CD1 3.25Å; A236-F283 WeakPolarHBondContact O-CD1 3.48Å; A236-F283 WeakPolarHBondContact O-CE1 3.31Å
237	A	97	Very high	96.6	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-52.7	-40.4	172.7	0	0	0	0	0	112.7	F232 N234 R235 K239 M240 A241 G282	F232-A237 HydrophobicContact CB-CB 3.39Å; F232-A237 HydrophobicContact CD1-CB 3.98Å; F232-A237 HydrophobicContact CD2-CB 3.97Å; F232-A237 HydrophobicContact CG-CB 3.53Å; N234-A237 PolarHBondContact OD1-N 3.07Å; R235-A237 VanDerWaalsContact C-N 3.34Å; R235-A237 PolarHBondContact O-N 3.15Å; A237-K239 VanDerWaalsContact C-N 3.33Å; A237-K239 PolarHBondContact O-N 3.17Å; A237-M240 PolarHBondContact O-N 3.44Å; A237-A241 PolarHBondContact O-N 3.45Å; A237-G282 VanDerWaalsContact CA-O 3.28Å; A237-G282 WeakPolarHBondContact CA-O 3.16Å; A237-G282 WeakPolarHBondContact CB-O 3.22Å
238	M	98.1	Very high	96.6	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-70.9	-25	177.2	-70.5	-56.6	-57.4	0	0	113.5	I227 R228 V230 F232 R235 A236 A241 N242 T434 L536 W539 I541	I227-M238 HydrophobicContact CG2-CB 4.33Å; I227-M238 HydrophobicContact CG2-CE 3.85Å; I227-M238 HydrophobicContact CG2-CG 4.33Å; R228-M238 VanDerWaalsContact O-CG 3.3Å; R228-M238 WeakPolarHBondContact O-CG 3.24Å; V230-M238 HydrophobicContact CB-SD 4.34Å; V230-M238 HydrophobicContact CG2-CE 3.97Å; V230-M238 HydrophobicContact CG2-CG 4.08Å; V230-M238 HydrophobicContact CG2-SD 3.67Å; F232-M238 HydrophobicContact CD2-CG 4.32Å; F232-M238 HydrophobicContact CD2-SD 3.69Å; F232-M238 HydrophobicContact CE2-SD 3.73Å; R235-M238 PolarHBondContact O-N 3.04Å; A236-M238 PolarHBondContact O-N 3.07Å; M238-A241 HydrophobicContact CE-CB 4.26Å; M238-A241 PolarHBondContact O-N 2.86Å; M238-A241 HydrophobicContact SD-CB 4.24Å; M238-N242 WeakPolarHBondContact O-CB 3.13Å; M238-N242 PolarHBondContact O-N 2.77Å; M238-T434 HydrophobicContact CB-CG2 4.4Å; M238-L536 HydrophobicContact CE-CD2 3.56Å; M238-W539 HydrophobicContact CE-CE3 3.76Å; M238-W539 HydrophobicContact CE-CZ3 3.83Å; M238-I541 HydrophobicContact CE-CG1 4.22Å; M238-I541 HydrophobicContact CE-CG2 4.21Å; M238-I541 HydrophobicContact SD-CG2 4.13Å
239	K	98.4	Very high	96.7	Very high	19 Å²	19	22.9 Å²	22.9	8%	0.083	12%	0.115	C	C	.	.	H	α-helix	trans	-66.3	-44.4	170.8	-53.7	-177.2	-169	178.3	0	111.7	R235 A236 A237 A241 N242 M243 F283 T434 E441 Y443	R235-K239 PolarHBondContact O-N 3.15Å; A236-K239 WeakPolarHBondContact O-CA 3.45Å; A236-K239 WeakPolarHBondContact O-CB 3.29Å; A236-K239 PolarHBondContact O-N 3.35Å; A237-K239 VanDerWaalsContact C-N 3.33Å; A237-K239 PolarHBondContact O-N 3.17Å; K239-A241 VanDerWaalsContact C-N 3.35Å; K239-N242 WeakPolarHBondContact O-CB 3.18Å; K239-N242 PolarHBondContact O-N 3.11Å; K239-M243 HydrophobicContact CB-CE 4.07Å; K239-M243 WeakPolarHBondContact O-CB 3.43Å; K239-M243 WeakPolarHBondContact O-CE 3.47Å; K239-M243 WeakPolarHBondContact O-CG 3.39Å; K239-M243 PolarHBondContact O-N 3.38Å; K239-F283 HydrophobicContact CB-CE1 4.18Å; K239-T434 WeakPolarHBondContact CA-OG1 3.09Å; K239-E441 WeakPolarHBondContact CE-OE1 3.28Å; K239-E441 IonicContact NZ-OE1 3.93Å; K239-E441 PolarHBondContact NZ-OE1 2.72Å; K239-E441 IonicContact NZ-OE2 2.76Å; K239-E441 PolarHBondContact NZ-OE2 2.72Å; K239-Y443 HydrophobicContact CD-CE2 4.09Å; K239-Y443 VanDerWaalsContact CD-OH 3.26Å; K239-Y443 WeakPolarHBondContact CD-OH 3.32Å; K239-Y443 PolarHBondContact NZ-OH 3.4Å; K239-Y443 VanDerWaalsContact NZ-OH 3.1Å
240	M	98.5	Very high	97	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-68.2	-34	173.4	-79.9	-55.9	-53.3	0	0	112.4	A236 A237 N242 M243 D244 F251 F283 Y286 M362 I402	A236-M240 PolarHBondContact O-N 3.38Å; A237-M240 PolarHBondContact O-N 3.44Å; M240-N242 PolarHBondContact O-N 3.46Å; M240-M243 HydrophobicContact SD-CE 4.04Å; M240-D244 WeakPolarHBondContact O-CB 3.36Å; M240-D244 PolarHBondContact O-N 2.95Å; M240-F251 HydrophobicContact CE-CB 4.34Å; M240-F251 HydrophobicContact CE-CD1 4.41Å; M240-F251 HydrophobicContact CE-CD2 3.76Å; M240-F251 HydrophobicContact CE-CE2 4.12Å; M240-F251 HydrophobicContact CE-CG 3.92Å; M240-F283 HydrophobicContact CB-CD1 4.21Å; M240-F283 HydrophobicContact CB-CG 4.45Å; M240-F283 HydrophobicContact CG-CB 3.9Å; M240-F283 HydrophobicContact CG-CD1 3.42Å; M240-F283 VanDerWaalsContact CG-CD1 3.42Å; M240-F283 HydrophobicContact CG-CD2 3.68Å; M240-F283 HydrophobicContact CG-CE1 3.72Å; M240-F283 HydrophobicContact CG-CE2 3.92Å; M240-F283 HydrophobicContact CG-CG 3.38Å; M240-F283 HydrophobicContact CG-CZ 3.95Å; M240-F283 HydrophobicContact SD-CD2 4.22Å; M240-F283 HydrophobicContact SD-CE2 4.13Å; M240-F283 HydrophobicContact SD-CZ 4.39Å; M240-Y286 HydrophobicContact CB-CD1 3.79Å; M240-Y286 HydrophobicContact CB-CG 4.26Å; M240-M362 HydrophobicContact CE-CG 4.19Å; M240-M362 HydrophobicContact CE-SD 3.67Å; M240-M362 HydrophobicContact CG-SD 3.91Å; M240-M362 HydrophobicContact SD-CG 4.28Å; M240-M362 HydrophobicContact SD-SD 3.93Å; M240-I402 HydrophobicContact CE-CG2 4.39Å; M240-I402 HydrophobicContact SD-CD1 4.17Å; M240-I402 HydrophobicContact SD-CG2 4.07Å
241	A	98.5	Very high	97.1	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-61.3	-42.9	172.9	0	0	0	0	0	113	A237 M238 K239 F245 Y286 I541	A237-A241 PolarHBondContact O-N 3.45Å; M238-A241 HydrophobicContact CE-CB 4.26Å; M238-A241 PolarHBondContact O-N 2.86Å; M238-A241 HydrophobicContact SD-CB 4.24Å; K239-A241 VanDerWaalsContact C-N 3.35Å; A241-F245 PolarHBondContact O-N 3.41Å; A241-Y286 HydrophobicContact CB-CD2 3.65Å; A241-Y286 HydrophobicContact CB-CE2 3.6Å; A241-Y286 HydrophobicContact CB-CG 4.36Å; A241-I541 HydrophobicContact CB-CD1 3.83Å; A241-I541 HydrophobicContact CB-CG1 4.15Å
242	N	98.8	Very high	97.3	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-64.2	-54.2	175.4	-179.6	172.2	0	0	0	110.8	E153 M238 K239 M240 F245 V246 P432 T434 W539	E153-N242 VanDerWaalsContact CD-ND2 3.34Å; E153-N242 PolarHBondContact OE1-ND2 3.35Å; E153-N242 PolarHBondContact OE2-ND2 3.13Å; M238-N242 WeakPolarHBondContact O-CB 3.13Å; M238-N242 PolarHBondContact O-N 2.77Å; K239-N242 WeakPolarHBondContact O-CB 3.18Å; K239-N242 PolarHBondContact O-N 3.11Å; M240-N242 PolarHBondContact O-N 3.46Å; N242-F245 WeakPolarHBondContact O-CB 3.27Å; N242-F245 PolarHBondContact O-N 2.78Å; N242-V246 WeakPolarHBondContact O-CG2 3.28Å; N242-V246 PolarHBondContact O-N 3.23Å; N242-P432 WeakPolarHBondContact OD1-CB 3.31Å; N242-T434 HydrophobicContact CB-CG2 4.04Å; N242-T434 WeakPolarHBondContact OD1-CG2 3.29Å; N242-T434 PolarHBondContact OD1-N 2.72Å; N242-T434 PolarHBondContact OD1-OG1 2.89Å; N242-W539 HydrophobicContact CB-CD2 4.16Å; N242-W539 HydrophobicContact CB-CE3 4.18Å; N242-W539 HydrophobicContact CB-CH2 3.77Å; N242-W539 HydrophobicContact CB-CZ2 3.72Å; N242-W539 HydrophobicContact CB-CZ3 3.99Å; N242-W539 WeakPolarHBondContact ND2-CZ2 3.39Å; N242-W539 WeakPolarHBondContact OD1-CH2 3.25Å; N242-W539 WeakPolarHBondContact OD1-CZ2 3.25Å
243	M	98.8	Very high	97.3	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-70.5	-37.8	-175.6	-67.3	-175.3	-63.8	0	0	112.3	K239 M240 F245 V246 F247 I402 F430 P432 Y443	K239-M243 HydrophobicContact CB-CE 4.07Å; K239-M243 WeakPolarHBondContact O-CB 3.43Å; K239-M243 WeakPolarHBondContact O-CE 3.47Å; K239-M243 WeakPolarHBondContact O-CG 3.39Å; K239-M243 PolarHBondContact O-N 3.38Å; M240-M243 HydrophobicContact SD-CE 4.04Å; M243-F245 PolarHBondContact O-N 2.9Å; M243-V246 PolarHBondContact O-N 2.8Å; M243-F247 HydrophobicContact CB-CD2 4.1Å; M243-F247 HydrophobicContact CB-CE2 4.29Å; M243-F247 HydrophobicContact CG-CE2 4.49Å; M243-F247 WeakPolarHBondContact O-CB 3.13Å; M243-F247 WeakPolarHBondContact O-CD2 3.37Å; M243-F247 PolarHBondContact O-N 2.78Å; M243-I402 HydrophobicContact CB-CD1 4.3Å; M243-I402 HydrophobicContact CE-CD1 3.49Å; M243-I402 VanDerWaalsContact CE-CD1 3.49Å; M243-I402 HydrophobicContact SD-CD1 3.6Å; M243-F430 HydrophobicContact CG-CD1 4.19Å; M243-F430 HydrophobicContact CG-CE1 4.04Å; M243-F430 HydrophobicContact SD-CD1 4.26Å; M243-P432 HydrophobicContact CG-CB 3.9Å; M243-P432 HydrophobicContact CG-CG 4.1Å; M243-P432 HydrophobicContact SD-CB 4.21Å; M243-P432 HydrophobicContact SD-CG 3.75Å; M243-Y443 HydrophobicContact CE-CD1 3.95Å; M243-Y443 HydrophobicContact CE-CD2 3.96Å; M243-Y443 HydrophobicContact CE-CE1 4.09Å; M243-Y443 HydrophobicContact CE-CE2 4.09Å; M243-Y443 HydrophobicContact CE-CG 3.91Å; M243-Y443 HydrophobicContact SD-CD1 4.36Å; M243-Y443 HydrophobicContact SD-CD2 3.74Å; M243-Y443 HydrophobicContact SD-CE2 4.39Å; M243-Y443 HydrophobicContact SD-CG 3.75Å
244	D	98.8	Very high	97.6	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-64.5	-25.4	173	175.8	77.7	0	0	0	112.5	M240 R249 F251 T252 Y286	M240-D244 WeakPolarHBondContact O-CB 3.36Å; M240-D244 PolarHBondContact O-N 2.95Å; D244-R249 WeakPolarHBondContact O-CA 3.13Å; D244-R249 WeakPolarHBondContact O-CD 3.47Å; D244-R249 PolarHBondContact O-N 3Å; D244-R249 WeakPolarHBondContact OD1-CA 3.32Å; D244-R249 WeakPolarHBondContact OD2-CD 3.22Å; D244-R249 IonicContact OD2-CZ 3.19Å; D244-R249 IonicContact OD2-NE 2.8Å; D244-R249 IonicContact OD2-NH1 2.92Å; D244-R249 PolarHBondContact OD2-NH1 3.07Å; D244-F251 HydrophobicContact CB-CD2 4.07Å; D244-T252 VanDerWaalsContact CG-OG1 3.28Å; D244-T252 WeakPolarHBondContact OD1-CB 3.37Å; D244-T252 WeakPolarHBondContact OD1-CG2 3.49Å; D244-T252 PolarHBondContact OD1-N 2.69Å; D244-T252 PolarHBondContact OD1-OG1 2.99Å; D244-T252 PolarHBondContact OD2-OG1 2.9Å; D244-Y286 HydrophobicContact CB-CE1 3.76Å; D244-Y286 PolarHBondContact OD2-OH 3.31Å
245	F	98.7	Very high	97.7	Very high	69 Å²	69	26.2 Å²	26.2	30%	0.303	12%	0.122	S	C	.	.	H	α-helix	trans	-72.9	-52.2	166.2	173.6	-92.3	0	0	0	112	A241 N242 M243 F247 D248 L538 W539	A241-F245 PolarHBondContact O-N 3.41Å; N242-F245 WeakPolarHBondContact O-CB 3.27Å; N242-F245 PolarHBondContact O-N 2.78Å; M243-F245 PolarHBondContact O-N 2.9Å; F245-F247 PolarHBondContact O-N 3.31Å; F245-D248 PolarHBondContact O-N 3.32Å; F245-L538 HydrophobicContact CD1-CD2 4.48Å; F245-L538 HydrophobicContact CD1-CG 4.26Å; F245-L538 WeakPolarHBondContact CD2-O 3.47Å; F245-L538 HydrophobicContact CE1-CD1 3.96Å; F245-L538 HydrophobicContact CE1-CD2 3.81Å; F245-L538 HydrophobicContact CE1-CG 3.6Å; F245-L538 HydrophobicContact CE2-CD1 4.07Å; F245-L538 HydrophobicContact CE2-CG 4.08Å; F245-L538 VanDerWaalsContact CE2-O 3.25Å; F245-L538 WeakPolarHBondContact CE2-O 3.35Å; F245-L538 HydrophobicContact CZ-CD1 3.43Å; F245-L538 VanDerWaalsContact CZ-CD1 3.43Å; F245-L538 HydrophobicContact CZ-CD2 4.17Å; F245-L538 HydrophobicContact CZ-CG 3.51Å; F245-W539 HydrophobicContact CB-CB 4.23Å; F245-W539 HydrophobicContact CB-CG 4.09Å; F245-W539 AromaticContact CD1-CD1 3.45Å; F245-W539 VanDerWaalsContact CD1-CD1 3.45Å; F245-W539 AromaticContact CD1-NE1 3.88Å; F245-W539 AromaticContact CG-CD1 3.47Å; F245-W539 VanDerWaalsContact CG-CD1 3.47Å; F245-W539 HydrophobicContact CG-CG 4.34Å
246	V	98.7	Very high	97.6	Very high	24 Å²	24	26.5 Å²	26.5	15%	0.145	13%	0.127	C	C	.	.	H	α-helix	trans	-58.7	-34.3	-176.3	168.4	0	0	0	0	112.4	E153 V155 N242 M243 F430	E153-V246 HydrophobicContact CB-CG2 4.15Å; V155-V246 HydrophobicContact CG2-CG1 3.29Å; N242-V246 WeakPolarHBondContact O-CG2 3.28Å; N242-V246 PolarHBondContact O-N 3.23Å; M243-V246 PolarHBondContact O-N 2.8Å; V246-F430 HydrophobicContact CB-CZ 4.47Å; V246-F430 HydrophobicContact CG1-CE1 4.07Å; V246-F430 HydrophobicContact CG1-CE2 4.23Å; V246-F430 HydrophobicContact CG1-CZ 3.79Å; V246-F430 HydrophobicContact CG2-CZ 4.24Å
247	F	98.5	Very high	97.1	Very high	8 Å²	8	30.5 Å²	30.5	4%	0.035	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	41.3	178.5	-63.1	-73.3	0	0	0	112.9	V155 W157 M243 F245 R249 M250 F251 C428 F430 V445	V155-F247 HydrophobicContact CG1-CE1 3.75Å; V155-F247 HydrophobicContact CG1-CZ 4.22Å; V155-F247 HydrophobicContact CG2-CE1 4.17Å; V155-F247 HydrophobicContact CG2-CZ 4.32Å; W157-F247 AromaticContact CH2-CD1 3.92Å; W157-F247 HydrophobicContact CH2-CD1 3.92Å; W157-F247 AromaticContact CH2-CE1 3.95Å; W157-F247 HydrophobicContact CH2-CE1 3.95Å; W157-F247 AromaticContact CZ2-CD1 3.62Å; W157-F247 HydrophobicContact CZ2-CD1 3.62Å; W157-F247 AromaticContact CZ2-CE1 3.66Å; W157-F247 HydrophobicContact CZ2-CE1 3.66Å; M243-F247 HydrophobicContact CB-CD2 4.1Å; M243-F247 HydrophobicContact CB-CE2 4.29Å; M243-F247 HydrophobicContact CG-CE2 4.49Å; M243-F247 WeakPolarHBondContact O-CB 3.13Å; M243-F247 WeakPolarHBondContact O-CD2 3.37Å; M243-F247 PolarHBondContact O-N 2.78Å; F245-F247 PolarHBondContact O-N 3.31Å; F247-R249 VanDerWaalsContact C-N 3.26Å; F247-R249 PolarHBondContact O-N 2.85Å; F247-M250 HydrophobicContact CB-CE 4.06Å; F247-M250 HydrophobicContact CB-CG 3.92Å; F247-M250 HydrophobicContact CB-SD 4.01Å; F247-M250 HydrophobicContact CD1-CE 4.47Å; F247-M250 HydrophobicContact CG-CE 4.25Å; F247-M250 VanDerWaalsContact O-CB 3.28Å; F247-M250 WeakPolarHBondContact O-CB 3.42Å; F247-M250 WeakPolarHBondContact O-CG 3.44Å; F247-M250 PolarHBondContact O-N 3.12Å; F247-F251 HydrophobicContact CB-CE2 4.26Å; F247-F251 HydrophobicContact CD2-CE2 4.3Å; F247-C428 VanDerWaalsContact CE1-SG 3.57Å; F247-F430 HydrophobicContact CE2-CB 4.5Å; F247-F430 AromaticContact CE2-CD1 3.78Å; F247-F430 HydrophobicContact CE2-CD1 3.78Å; F247-F430 HydrophobicContact CE2-CE1 4.28Å; F247-F430 HydrophobicContact CE2-CG 4.21Å; F247-F430 HydrophobicContact CZ-CB 3.98Å; F247-F430 AromaticContact CZ-CD1 3.98Å; F247-F430 HydrophobicContact CZ-CD1 3.98Å; F247-F430 AromaticContact CZ-CG 3.93Å; F247-F430 HydrophobicContact CZ-CG 3.93Å; F247-V445 HydrophobicContact CD1-CG1 4.11Å; F247-V445 HydrophobicContact CD2-CG1 4.2Å; F247-V445 HydrophobicContact CE1-CB 4.32Å; F247-V445 HydrophobicContact CE1-CG1 3.91Å; F247-V445 HydrophobicContact CE2-CB 4.34Å; F247-V445 HydrophobicContact CE2-CG1 4.06Å; F247-V445 HydrophobicContact CE2-CG2 3.78Å; F247-V445 HydrophobicContact CG-CG1 4.26Å; F247-V445 HydrophobicContact CZ-CB 4Å; F247-V445 HydrophobicContact CZ-CG1 3.92Å; F247-V445 HydrophobicContact CZ-CG2 3.78Å
248	D	97.9	Very high	96.8	Very high	138 Å²	138	40.5 Å²	40.5	74%	0.738	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	52	33.9	169	-67.4	-48.8	0	0	0	116	F245 M250	F245-D248 PolarHBondContact O-N 3.32Å; D248-M250 PolarHBondContact O-N 3.23Å
249	R	98.1	Very high	96.4	Very high	57 Å²	57	42.1 Å²	42.1	22%	0.215	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	25.1	-174.3	-51.9	-65.4	175.7	-166.3	-1.5	114.1	D244 F247 F251 T252 N253 Y286 W539	D244-R249 WeakPolarHBondContact O-CA 3.13Å; D244-R249 WeakPolarHBondContact O-CD 3.47Å; D244-R249 PolarHBondContact O-N 3Å; D244-R249 WeakPolarHBondContact OD1-CA 3.32Å; D244-R249 WeakPolarHBondContact OD2-CD 3.22Å; D244-R249 IonicContact OD2-CZ 3.19Å; D244-R249 IonicContact OD2-NE 2.8Å; D244-R249 IonicContact OD2-NH1 2.92Å; D244-R249 PolarHBondContact OD2-NH1 3.07Å; F247-R249 VanDerWaalsContact C-N 3.26Å; F247-R249 PolarHBondContact O-N 2.85Å; R249-F251 PolarHBondContact O-N 3.41Å; R249-F251 VanDerWaalsContact O-N 3.12Å; R249-T252 PolarHBondContact O-N 3.17Å; R249-N253 HydrophobicContact CB-CB 4.14Å; R249-N253 CarbonylContact O-C 3.58Å; R249-N253 WeakPolarHBondContact O-CA 3.42Å; R249-N253 PolarHBondContact O-N 3.05Å; R249-Y286 PolarHBondContact NH1-OH 2.75Å; R249-Y286 VanDerWaalsContact NH1-OH 3.12Å; R249-W539 PolarHBondContact NH2-O 3.25Å
250	M	98	Very high	96.1	Very high	14 Å²	14	47 Å²	47	7%	0.069	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-24.9	-176	76.1	175	-167.4	0	0	113.6	F247 D248 P254 H400 V445 K447	F247-M250 HydrophobicContact CB-CE 4.06Å; F247-M250 HydrophobicContact CB-CG 3.92Å; F247-M250 HydrophobicContact CB-SD 4.01Å; F247-M250 HydrophobicContact CD1-CE 4.47Å; F247-M250 HydrophobicContact CG-CE 4.25Å; F247-M250 VanDerWaalsContact O-CB 3.28Å; F247-M250 WeakPolarHBondContact O-CB 3.42Å; F247-M250 WeakPolarHBondContact O-CG 3.44Å; F247-M250 PolarHBondContact O-N 3.12Å; D248-M250 PolarHBondContact O-N 3.23Å; M250-P254 WeakPolarHBondContact O-CA 3.46Å; M250-P254 VanDerWaalsContact O-CB 3.28Å; M250-P254 WeakPolarHBondContact O-CB 3.04Å; M250-H400 PolarHBondContact O-CD2 2.86Å; M250-H400 VanDerWaalsContact O-CD2 3.26Å; M250-V445 HydrophobicContact CE-CG1 3.33Å; M250-K447 HydrophobicContact SD-CB 4.21Å; M250-K447 HydrophobicContact SD-CD 4.13Å; M250-K447 HydrophobicContact SD-CG 4.11Å
251	F	98.6	Very high	95.8	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-53	174.7	-51.5	-74.9	0	0	0	111.4	M240 D244 F247 R249 F360 I402 V445	M240-F251 HydrophobicContact CE-CB 4.34Å; M240-F251 HydrophobicContact CE-CD1 4.41Å; M240-F251 HydrophobicContact CE-CD2 3.76Å; M240-F251 HydrophobicContact CE-CE2 4.12Å; M240-F251 HydrophobicContact CE-CG 3.92Å; D244-F251 HydrophobicContact CB-CD2 4.07Å; F247-F251 HydrophobicContact CB-CE2 4.26Å; F247-F251 HydrophobicContact CD2-CE2 4.3Å; R249-F251 PolarHBondContact O-N 3.41Å; R249-F251 VanDerWaalsContact O-N 3.12Å; F251-F360 HydrophobicContact CB-CD1 4.34Å; F251-F360 HydrophobicContact CB-CD2 4.1Å; F251-F360 HydrophobicContact CB-CE1 4.23Å; F251-F360 HydrophobicContact CB-CE2 3.95Å; F251-F360 HydrophobicContact CB-CG 4.29Å; F251-F360 HydrophobicContact CB-CZ 4.02Å; F251-F360 HydrophobicContact CD1-CB 4.18Å; F251-F360 AromaticContact CD1-CD2 3.78Å; F251-F360 HydrophobicContact CD1-CD2 3.78Å; F251-F360 HydrophobicContact CD1-CE2 4.37Å; F251-F360 HydrophobicContact CD1-CG 4.01Å; F251-F360 HydrophobicContact CG-CD2 4.37Å; F251-F360 WeakPolarHBondContact O-CD1 3.48Å; F251-F360 WeakPolarHBondContact O-CE1 3.49Å; F251-I402 HydrophobicContact CD1-CG2 4.35Å; F251-I402 HydrophobicContact CE1-CB 3.87Å; F251-I402 HydrophobicContact CE1-CG2 3.63Å; F251-I402 HydrophobicContact CE2-CD1 4.39Å; F251-I402 HydrophobicContact CZ-CB 3.86Å; F251-I402 HydrophobicContact CZ-CD1 3.9Å; F251-I402 HydrophobicContact CZ-CG1 4.49Å; F251-I402 HydrophobicContact CZ-CG2 3.91Å; F251-V445 HydrophobicContact CZ-CG1 4.2Å
252	T	98.1	Very high	95.5	Very high	7 Å²	7	51.9 Å²	51.9	4%	0.043	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-17.4	-175.1	58.1	0	0	0	0	114.2	D244 R249 Y286 R290 K291	D244-T252 VanDerWaalsContact CG-OG1 3.28Å; D244-T252 WeakPolarHBondContact OD1-CB 3.37Å; D244-T252 WeakPolarHBondContact OD1-CG2 3.49Å; D244-T252 PolarHBondContact OD1-N 2.69Å; D244-T252 PolarHBondContact OD1-OG1 2.99Å; D244-T252 PolarHBondContact OD2-OG1 2.9Å; R249-T252 PolarHBondContact O-N 3.17Å; T252-Y286 HydrophobicContact CG2-CE1 3.84Å; T252-R290 HydrophobicContact CG2-CB 4.24Å; T252-R290 HydrophobicContact CG2-CG 3.94Å; T252-K291 VanDerWaalsContact O-CD 3.3Å; T252-K291 WeakPolarHBondContact O-CD 3.37Å
253	N	97.6	Very high	95	Very high	45 Å²	45	52.1 Å²	52.1	24%	0.241	26%	0.262	C	S	.	.	S	Bend	trans	-142.7	65.8	177.3	-175.8	46.7	0	0	0	110.6	R249	R249-N253 HydrophobicContact CB-CB 4.14Å; R249-N253 CarbonylContact O-C 3.58Å; R249-N253 WeakPolarHBondContact O-CA 3.42Å; R249-N253 PolarHBondContact O-N 3.05Å
254	P	97.2	Very high	94.3	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.006	28%	0.278	C	S	.	.			trans	-64	148.4	-176.6	28.5	-35.4	0	0	0	111.2	M250 P261 L262 L271 H359	M250-P254 WeakPolarHBondContact O-CA 3.46Å; M250-P254 VanDerWaalsContact O-CB 3.28Å; M250-P254 WeakPolarHBondContact O-CB 3.04Å; P254-P261 WeakPolarHBondContact O-CA 3.03Å; P254-L262 HydrophobicContact CB-CD1 4.22Å; P254-L262 HydrophobicContact CG-CB 4.4Å; P254-L262 PolarHBondContact O-N 2.8Å; P254-L271 HydrophobicContact CG-CD1 3.63Å; P254-H359 HydrophobicContact CG-CB 4.1Å
255	R	95.3	Very high	93.2	Very high	114 Å²	114	59.1 Å²	59.1	43%	0.43	30%	0.295	S	S	.	.	B	Isolated β-bridge	trans	-124	152.4	-175.3	-64.9	171.6	-175.6	-92.5	5.1	110.7	G259 K260	R255-G259 WeakPolarHBondContact CD-O 3.42Å; R255-G259 PolarHBondContact NH1-O 2.92Å; R255-K260 CarbonylContact C-O 3.51Å; R255-K260 VanDerWaalsContact CA-O 3.22Å; R255-K260 WeakPolarHBondContact CA-O 3.47Å
256	D	90.6	Very high	91.8	Very high	48 Å²	48	66.3 Å²	66.3	26%	0.257	32%	0.32	S	S	.	.			trans	-71.6	174.2	164.9	62.6	24.8	0	0	0	111.4	Y258 G259 K260 L262	D256-Y258 PolarHBondContact O-N 3.44Å; D256-Y258 VanDerWaalsContact O-N 3.15Å; D256-Y258 WeakPolarHBondContact OD1-CA 3.02Å; D256-Y258 WeakPolarHBondContact OD1-CB 3.37Å; D256-Y258 PolarHBondContact OD1-N 3.36Å; D256-G259 WeakPolarHBondContact O-CA 3.15Å; D256-G259 PolarHBondContact O-N 2.98Å; D256-G259 PolarHBondContact OD1-N 3.29Å; D256-G259 VanDerWaalsContact OD1-N 3.13Å; D256-K260 PolarHBondContact N-O 2.86Å; D256-K260 WeakPolarHBondContact OD1-CB 3.23Å; D256-K260 PolarHBondContact OD1-N 3.14Å; D256-L262 HydrophobicContact CB-CD2 3.84Å
257	S	85.6	Confident	90.8	Very high	97 Å²	97	69.3 Å²	69.3	68%	0.678	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-16.5	177.2	50	0	0	0	0	114	G259	S257-G259 VanDerWaalsContact C-N 3.33Å
258	Y	89.3	Confident	89.6	Confident	209 Å²	209	71.7 Å²	71.7	82%	0.82	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	5	172.3	-51.6	-75.2	0	0	0	112.9	D256 K260	D256-Y258 PolarHBondContact O-N 3.44Å; D256-Y258 VanDerWaalsContact O-N 3.15Å; D256-Y258 WeakPolarHBondContact OD1-CA 3.02Å; D256-Y258 WeakPolarHBondContact OD1-CB 3.37Å; D256-Y258 PolarHBondContact OD1-N 3.36Å; Y258-K260 VanDerWaalsContact C-N 3.32Å; Y258-K260 PolarHBondContact O-N 2.87Å
259	G	90.2	Very high	89.1	Confident	35 Å²	35	69.7 Å²	69.7	36%	0.361	34%	0.34	S	S	.	.	S	Bend	trans	77.7	8.9	179.1	0	0	0	0	0	114.7	R255 D256 S257	R255-G259 WeakPolarHBondContact CD-O 3.42Å; R255-G259 PolarHBondContact NH1-O 2.92Å; D256-G259 WeakPolarHBondContact O-CA 3.15Å; D256-G259 PolarHBondContact O-N 2.98Å; D256-G259 PolarHBondContact OD1-N 3.29Å; D256-G259 VanDerWaalsContact OD1-N 3.13Å; S257-G259 VanDerWaalsContact C-N 3.33Å
260	K	92.4	Very high	88.9	Confident	121 Å²	121	67.2 Å²	67.2	53%	0.526	33%	0.331	S	S	.	.			trans	-86.5	135.8	179.8	176.5	-172.5	172.1	-167.3	0	110.4	R255 D256 Y258 L262	R255-K260 CarbonylContact C-O 3.51Å; R255-K260 VanDerWaalsContact CA-O 3.22Å; R255-K260 WeakPolarHBondContact CA-O 3.47Å; D256-K260 PolarHBondContact N-O 2.86Å; D256-K260 WeakPolarHBondContact OD1-CB 3.23Å; D256-K260 PolarHBondContact OD1-N 3.14Å; Y258-K260 VanDerWaalsContact C-N 3.32Å; Y258-K260 PolarHBondContact O-N 2.87Å; K260-L262 PolarHBondContact O-N 2.86Å
261	P	93.4	Very high	89	Confident	47 Å²	47	66.5 Å²	66.5	31%	0.305	33%	0.328	S	S	.	.	B	Isolated β-bridge	trans	-57.9	130.8	177.8	-26.5	35.6	0	0	0	113.1	P254 V263	P254-P261 WeakPolarHBondContact O-CA 3.03Å; P261-V263 VanDerWaalsContact C-N 3.33Å
262	L	90.3	Very high	89	Confident	55 Å²	55	67.1 Å²	67.1	29%	0.288	33%	0.33	S	S	.	.	S	Bend	trans	-75.9	-18.6	176.9	-68.6	-179.6	0	0	0	113.5	P254 D256 K260	P254-L262 HydrophobicContact CB-CD1 4.22Å; P254-L262 HydrophobicContact CG-CB 4.4Å; P254-L262 PolarHBondContact O-N 2.8Å; D256-L262 HydrophobicContact CB-CD2 3.84Å; K260-L262 PolarHBondContact O-N 2.86Å
263	V	88.7	Confident	89	Confident	6 Å²	6	66.8 Å²	66.8	4%	0.036	33%	0.328	C	S	.	.			trans	-131.5	124.8	-179.8	-177.7	0	0	0	0	108.6	P261 L271 H359	P261-V263 VanDerWaalsContact C-N 3.33Å; V263-L271 HydrophobicContact CG1-CB 4.45Å; V263-L271 HydrophobicContact CG2-CB 4.38Å; V263-L271 HydrophobicContact CG2-CD1 4.08Å; V263-H359 WeakPolarHBondContact CG2-NE2 3.45Å
264	K	83.6	Confident	89.1	Confident	79 Å²	79	64.6 Å²	64.6	34%	0.343	32%	0.317	S	S	.	.			trans	-111.2	128.7	173.2	-58.2	154	-175.9	165.2	0	110	R266 E267 K685	K264-R266 PolarHBondContact O-N 2.84Å; K264-R266 VanDerWaalsContact O-N 3.17Å; K264-E267 HydrophobicContact CB-CB 4.27Å; K264-E267 HydrophobicContact CB-CG 4.31Å; K264-E267 HydrophobicContact CD-CG 4.07Å; K264-E267 WeakPolarHBondContact CD-OE1 3.18Å; K264-E267 VanDerWaalsContact CD-OE2 3.27Å; K264-E267 WeakPolarHBondContact CD-OE2 3.44Å; K264-E267 WeakPolarHBondContact CE-OE1 3.46Å; K264-E267 IonicContact NZ-OE1 2.69Å; K264-E267 PolarHBondContact NZ-OE1 2.87Å; K264-E267 IonicContact NZ-OE2 3.27Å; K264-E267 PolarHBondContact NZ-OE2 3Å; K264-E267 PolarHBondContact O-N 3.04Å; K264-K685 PolarHBondContact O-NZ 3.27Å
265	D	76.8	Confident	89.1	Confident	68 Å²	68	64.6 Å²	64.6	36%	0.364	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-30.9	-173.4	-65.8	-26.6	0	0	0	113.2	K291 H294 K685	D265-K291 VanDerWaalsContact CG-NZ 3.3Å; D265-K291 IonicContact OD1-NZ 3.99Å; D265-K291 PolarHBondContact OD1-NZ 3.24Å; D265-K291 IonicContact OD2-NZ 2.64Å; D265-K291 PolarHBondContact OD2-NZ 2.81Å; D265-K291 VanDerWaalsContact OD2-NZ 3.12Å; D265-H294 IonicContact OD1-CD2 2.66Å; D265-H294 IonicContact OD1-CG 3.82Å; D265-K685 PolarHBondContact O-NZ 3.35Å
266	R	70	Confident	89.2	Confident	219 Å²	219	59.1 Å²	59.1	83%	0.826	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-17.1	176.7	-64.6	-173	-179.8	-172	0.2	115.2	K264 Q678	K264-R266 PolarHBondContact O-N 2.84Å; K264-R266 VanDerWaalsContact O-N 3.17Å; R266-Q678 PolarHBondContact O-NE2 2.66Å
267	E	77.2	Confident	89.4	Confident	87 Å²	87	58.1 Å²	58.1	41%	0.407	29%	0.292	S	S	.	.	S	Bend	trans	-93.6	168.7	177.5	-68.6	179.2	-161.1	0	0	110.1	K264 E269 K685	K264-E267 HydrophobicContact CB-CB 4.27Å; K264-E267 HydrophobicContact CB-CG 4.31Å; K264-E267 HydrophobicContact CD-CG 4.07Å; K264-E267 WeakPolarHBondContact CD-OE1 3.18Å; K264-E267 VanDerWaalsContact CD-OE2 3.27Å; K264-E267 WeakPolarHBondContact CD-OE2 3.44Å; K264-E267 WeakPolarHBondContact CE-OE1 3.46Å; K264-E267 IonicContact NZ-OE1 2.69Å; K264-E267 PolarHBondContact NZ-OE1 2.87Å; K264-E267 IonicContact NZ-OE2 3.27Å; K264-E267 PolarHBondContact NZ-OE2 3Å; K264-E267 PolarHBondContact O-N 3.04Å; E267-E269 PolarHBondContact O-N 3.45Å; E267-E269 VanDerWaalsContact O-N 3.07Å; E267-K685 VanDerWaalsContact O-CD 3.31Å; E267-K685 WeakPolarHBondContact O-CD 3.47Å; E267-K685 PolarHBondContact O-NZ 2.98Å
268	A	72.6	Confident	89.3	Confident	58 Å²	58	53.9 Å²	53.9	48%	0.479	26%	0.263	S	S	.	.	S	Bend	trans	-70.7	-0.4	-173.7	0	0	0	0	0	114.6
269	E	87.1	Confident	89.2	Confident	96 Å²	96	44.7 Å²	44.7	45%	0.449	23%	0.232	S	C	.	.			trans	-82.9	136.8	-172.3	-61.6	-179.7	143.8	0	0	112.8	E267 K685	E267-E269 PolarHBondContact O-N 3.45Å; E267-E269 VanDerWaalsContact O-N 3.07Å; E269-K685 WeakPolarHBondContact O-CE 3.29Å; E269-K685 PolarHBondContact O-NZ 2.9Å
270	L	95.5	Very high	89.4	Confident	5 Å²	5	44.1 Å²	44.1	3%	0.026	22%	0.222	C	C	.	.			trans	-102.7	144.5	176.3	-71.3	173.3	0	0	0	111.6	Y272 H294 K296 H359 K685 K688 A689	L270-Y272 HydrophobicContact CB-CE1 4.43Å; L270-Y272 HydrophobicContact CB-CE2 4.07Å; L270-Y272 HydrophobicContact CD1-CE1 4.42Å; L270-Y272 WeakPolarHBondContact O-CD2 3.45Å; L270-Y272 PolarHBondContact O-N 2.88Å; L270-Y272 VanDerWaalsContact O-N 3.13Å; L270-H294 WeakPolarHBondContact CA-O 3.49Å; L270-K296 HydrophobicContact CD1-CB 4.38Å; L270-H359 PolarHBondContact O-CE1 3.24Å; L270-K685 HydrophobicContact CD2-CD 4.37Å; L270-K685 HydrophobicContact CD2-CG 3.61Å; L270-K685 HydrophobicContact CG-CG 4.07Å; L270-K688 HydrophobicContact CD1-CB 3.83Å; L270-K688 HydrophobicContact CD1-CD 4.35Å; L270-K688 HydrophobicContact CD1-CG 4.03Å; L270-A689 HydrophobicContact CD1-CB 3.88Å; L270-A689 HydrophobicContact CD2-CB 3.85Å
271	L	98.1	Very high	89.5	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	96.7	164.8	-175.5	69.2	0	0	0	110	P254 V263 K291 H294 A295 K296 H359 F360	P254-L271 HydrophobicContact CG-CD1 3.63Å; V263-L271 HydrophobicContact CG1-CB 4.45Å; V263-L271 HydrophobicContact CG2-CB 4.38Å; V263-L271 HydrophobicContact CG2-CD1 4.08Å; L271-K291 HydrophobicContact CD2-CD 4.44Å; L271-K291 HydrophobicContact CD2-CG 3.8Å; L271-H294 PolarHBondContact N-O 3.12Å; L271-A295 HydrophobicContact CB-CB 4.11Å; L271-A295 CarbonylContact O-C 3.58Å; L271-A295 WeakPolarHBondContact O-CA 3.48Å; L271-A295 WeakPolarHBondContact O-CB 3.49Å; L271-K296 PolarHBondContact O-N 2.89Å; L271-H359 HydrophobicContact CD1-CB 4.04Å; L271-F360 HydrophobicContact CD1-CE1 4.15Å; L271-F360 HydrophobicContact CD2-CE1 4.1Å; L271-F360 HydrophobicContact CG-CE1 4.18Å
272	Y	98.6	Very high	89.6	Confident	12 Å²	12	36.2 Å²	36.2	5%	0.047	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	130	168.7	-64.1	-72.5	0	0	0	111.9	L270 K296 F298 N352 T353 H359 K688	L270-Y272 HydrophobicContact CB-CE1 4.43Å; L270-Y272 HydrophobicContact CB-CE2 4.07Å; L270-Y272 HydrophobicContact CD1-CE1 4.42Å; L270-Y272 WeakPolarHBondContact O-CD2 3.45Å; L270-Y272 PolarHBondContact O-N 2.88Å; L270-Y272 VanDerWaalsContact O-N 3.13Å; Y272-K296 WeakPolarHBondContact CA-O 3.33Å; Y272-K296 HydrophobicContact CD1-CB 3.82Å; Y272-K296 HydrophobicContact CD1-CG 3.96Å; Y272-K296 HydrophobicContact CE1-CB 3.88Å; Y272-K296 HydrophobicContact CE1-CG 3.93Å; Y272-F298 AromaticContact CD1-CE2 3.72Å; Y272-F298 HydrophobicContact CD1-CE2 3.72Å; Y272-F298 AromaticContact CD1-CZ 3.9Å; Y272-F298 HydrophobicContact CD1-CZ 3.9Å; Y272-F298 HydrophobicContact CE1-CE2 4.48Å; Y272-F298 HydrophobicContact CE1-CZ 4.21Å; Y272-N352 WeakPolarHBondContact CE1-O 3.16Å; Y272-T353 HydrophobicContact CD1-CG2 3.83Å; Y272-T353 HydrophobicContact CD2-CG2 4.32Å; Y272-T353 HydrophobicContact CE1-CG2 4.38Å; Y272-T353 HydrophobicContact CG-CG2 3.78Å; Y272-H359 PolarHBondContact N-ND1 2.62Å; Y272-H359 VanDerWaalsContact N-ND1 3.12Å; Y272-H359 WeakPolarHBondContact O-CB 3.31Å; Y272-H359 PolarHBondContact O-N 2.67Å; Y272-H359 PolarHBondContact O-ND1 2.94Å; Y272-H359 VanDerWaalsContact O-ND1 3.1Å; Y272-K688 WeakPolarHBondContact OH-CD 3.29Å; Y272-K688 WeakPolarHBondContact OH-CE 3.43Å; Y272-K688 PolarHBondContact OH-NZ 3.38Å
273	F	98.9	Very high	89.9	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	161	172.8	73.9	-86.1	0	0	0	111.3	D275 V287 L288 A295 K296 G297 F298 F321 F360 M362	F273-D275 HydrophobicContact CE2-CB 4.45Å; F273-V287 HydrophobicContact CD1-CG1 3.65Å; F273-V287 HydrophobicContact CD2-CG1 4.46Å; F273-V287 HydrophobicContact CE1-CB 4.24Å; F273-V287 HydrophobicContact CE1-CG1 3.58Å; F273-V287 HydrophobicContact CE2-CB 4.4Å; F273-V287 HydrophobicContact CE2-CG1 4.41Å; F273-V287 HydrophobicContact CG-CG1 4.09Å; F273-V287 HydrophobicContact CZ-CB 4.13Å; F273-V287 HydrophobicContact CZ-CG1 3.98Å; F273-L288 HydrophobicContact CE1-CD2 3.78Å; F273-L288 HydrophobicContact CE1-CG 4.19Å; F273-L288 HydrophobicContact CZ-CD1 4.46Å; F273-L288 HydrophobicContact CZ-CD2 4.03Å; F273-L288 HydrophobicContact CZ-CG 3.95Å; F273-A295 HydrophobicContact CD1-CB 4.42Å; F273-A295 HydrophobicContact CE1-CB 4.25Å; F273-K296 WeakPolarHBondContact CD1-O 3.17Å; F273-K296 PolarHBondContact N-O 2.83Å; F273-K296 VanDerWaalsContact N-O 3.1Å; F273-G297 VanDerWaalsContact CZ-CA 3.45Å; F273-G297 WeakPolarHBondContact O-CA 3.49Å; F273-F298 WeakPolarHBondContact O-CD2 3.46Å; F273-F298 PolarHBondContact O-N 3Å; F273-F321 HydrophobicContact CE2-CD2 4.41Å; F273-F321 HydrophobicContact CE2-CE2 4.11Å; F273-F321 HydrophobicContact CZ-CD2 4.19Å; F273-F321 HydrophobicContact CZ-CE2 4.35Å; F273-F360 WeakPolarHBondContact CA-O 3.39Å; F273-F360 HydrophobicContact CB-CD1 4.08Å; F273-F360 HydrophobicContact CB-CD2 4.2Å; F273-F360 HydrophobicContact CB-CE1 3.55Å; F273-F360 HydrophobicContact CB-CE2 3.72Å; F273-F360 HydrophobicContact CB-CG 4.37Å; F273-F360 HydrophobicContact CB-CZ 3.37Å; F273-F360 HydrophobicContact CG-CE1 4.49Å; F273-F360 HydrophobicContact CG-CE2 4.35Å; F273-F360 AromaticContact CG-CZ 3.97Å; F273-F360 HydrophobicContact CG-CZ 3.97Å; F273-M362 HydrophobicContact CD2-CE 3.64Å; F273-M362 HydrophobicContact CE2-CE 3.82Å
274	A	98.8	Very high	90.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	152.1	170.2	0	0	0	0	0	111.2	F298 V358 F360 L361 M362 I394	A274-F298 CarbonylContact C-O 3.56Å; A274-F298 VanDerWaalsContact CA-O 3.25Å; A274-F298 WeakPolarHBondContact CA-O 3.4Å; A274-V358 HydrophobicContact CB-CG1 4.03Å; A274-V358 HydrophobicContact CB-CG2 4.14Å; A274-F360 PolarHBondContact N-O 3.26Å; A274-L361 HydrophobicContact CB-CD1 3.6Å; A274-M362 PolarHBondContact O-N 3.1Å; A274-I394 HydrophobicContact CB-CD1 3.63Å
275	D	98.5	Very high	91	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	105.8	-178.3	-161.1	19.4	0	0	0	109.1	F273 A278 S284 F298 G299 M300 F321 M362	F273-D275 HydrophobicContact CE2-CB 4.45Å; D275-A278 HydrophobicContact CB-CB 4.09Å; D275-A278 WeakPolarHBondContact OD1-CB 3.42Å; D275-A278 WeakPolarHBondContact OD2-CB 3.34Å; D275-S284 WeakPolarHBondContact CB-OG 3.38Å; D275-S284 VanDerWaalsContact CG-OG 3.27Å; D275-S284 WeakPolarHBondContact OD2-CB 3.45Å; D275-S284 PolarHBondContact OD2-N 3.46Å; D275-S284 PolarHBondContact OD2-OG 3.02Å; D275-F298 PolarHBondContact N-O 2.9Å; D275-G299 WeakPolarHBondContact O-CA 3.46Å; D275-M300 PolarHBondContact O-N 3.05Å; D275-F321 HydrophobicContact CB-CE2 4.28Å; D275-F321 HydrophobicContact CB-CZ 4.28Å; D275-M362 WeakPolarHBondContact CA-O 3.44Å; D275-M362 HydrophobicContact CB-CE 3.89Å
276	V	97.9	Very high	92	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	146.9	-173.1	-58.1	0	0	0	0	112.9	A278 M300 I336 F345 L361 M362 A363 D364 Q387 M390	V276-A278 PolarHBondContact O-N 2.89Å; V276-M300 CarbonylContact C-O 3.31Å; V276-M300 VanDerWaalsContact CA-O 3.3Å; V276-M300 WeakPolarHBondContact CA-O 3.5Å; V276-M300 HydrophobicContact CG1-CB 4.39Å; V276-I336 HydrophobicContact CB-CD1 4.08Å; V276-I336 HydrophobicContact CG2-CD1 3.96Å; V276-F345 HydrophobicContact CG1-CD1 4.49Å; V276-F345 HydrophobicContact CG1-CE1 3.68Å; V276-F345 HydrophobicContact CG1-CZ 4.2Å; V276-L361 HydrophobicContact CB-CD1 4.41Å; V276-L361 HydrophobicContact CG1-CD1 3.85Å; V276-L361 HydrophobicContact CG2-CD1 3.91Å; V276-M362 PolarHBondContact N-O 3.12Å; V276-A363 HydrophobicContact CG2-CB 3.65Å; V276-A363 WeakPolarHBondContact O-CA 3.38Å; V276-D364 PolarHBondContact O-N 2.86Å; V276-Q387 HydrophobicContact CG2-CG 4.44Å; V276-M390 HydrophobicContact CG1-CG 4.27Å
277	C	93	Very high	93.4	Very high	26 Å²	26	16 Å²	16	18%	0.176	10%	0.095	C	C	.	.	S	Bend	trans	54.3	32.2	-172.5	-52.3	0	0	0	0	112.3	M300 G365	C277-M300 PolarHBondContact N-O 2.9Å; C277-G365 VanDerWaalsContact CB-CA 3.41Å
278	A	84.3	Confident	94.4	Very high	9 Å²	9	12 Å²	12	7%	0.074	8%	0.076	C	C	.	.			trans	-109.4	4	-157.8	0	0	0	0	0	115.1	D275 V276 G281 F308	D275-A278 HydrophobicContact CB-CB 4.09Å; D275-A278 WeakPolarHBondContact OD1-CB 3.42Å; D275-A278 WeakPolarHBondContact OD2-CB 3.34Å; V276-A278 PolarHBondContact O-N 2.89Å; A278-G281 VanDerWaalsContact O-CA 3.26Å; A278-G281 WeakPolarHBondContact O-CA 3.22Å; A278-G281 PolarHBondContact O-N 2.79Å; A278-F308 HydrophobicContact CB-CE1 4.14Å; A278-F308 HydrophobicContact CB-CZ 4.45Å
279	G	88.3	Confident	95.5	Very high	15 Å²	15	11.8 Å²	11.8	16%	0.155	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	135.5	177	0	0	0	0	0	111.5	T301 N306	G279-T301 PolarHBondContact N-OG1 2.89Å; G279-N306 CarbonylContact C-O 3.53Å; G279-N306 VanDerWaalsContact CA-O 3.27Å; G279-N306 WeakPolarHBondContact CA-O 3.46Å
280	P	93.3	Very high	95.9	Very high	24 Å²	24	10.6 Å²	10.6	16%	0.156	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	cis	-85.5	3.2	13.2	32.2	-36	0	0	0	117.2	L233 D307 K309	L233-P280 HydrophobicContact CD1-CB 4.17Å; L233-P280 HydrophobicContact CD1-CG 3.63Å; P280-D307 WeakPolarHBondContact CA-O 3.41Å; P280-K309 HydrophobicContact CB-CB 4Å; P280-K309 HydrophobicContact CB-CD 3.97Å; P280-K309 HydrophobicContact CB-CG 3.79Å; P280-K309 PolarHBondContact O-N 3.09Å
281	G	94.1	Very high	95.9	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.058	C	C	.	.			trans	111.3	21.1	171.4	0	0	0	0	0	116.5	A278 F283 S284 E285 F313	A278-G281 VanDerWaalsContact O-CA 3.26Å; A278-G281 WeakPolarHBondContact O-CA 3.22Å; A278-G281 PolarHBondContact O-N 2.79Å; G281-F283 VanDerWaalsContact C-N 3.34Å; G281-F283 PolarHBondContact O-N 2.66Å; G281-S284 WeakPolarHBondContact O-CB 3.28Å; G281-S284 PolarHBondContact O-N 2.83Å; G281-E285 PolarHBondContact O-N 3.28Å; G281-F313 WeakPolarHBondContact O-CZ 3.43Å
282	G	95.4	Very high	95.7	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.01	8%	0.078	C	C	.	.	H	α-helix	trans	-60.1	-38	-174.9	0	0	0	0	0	114.5	A237 E285 Y286	A237-G282 VanDerWaalsContact CA-O 3.28Å; A237-G282 WeakPolarHBondContact CA-O 3.16Å; A237-G282 WeakPolarHBondContact CB-O 3.22Å; G282-E285 PolarHBondContact O-N 2.97Å; G282-Y286 PolarHBondContact O-N 3Å
283	F	97.8	Very high	95.6	Very high	3 Å²	3	15.6 Å²	15.6	1%	0.013	8%	0.076	C	C	.	.	H	α-helix	trans	-62.1	-49.3	175.7	-79.3	12.9	0	0	0	111.4	A236 K239 M240 G281 E285 Y286 V287 M362 D364 Y443	A236-F283 HydrophobicContact CB-CD1 3.9Å; A236-F283 HydrophobicContact CB-CE1 3.79Å; A236-F283 VanDerWaalsContact O-CD1 3.25Å; A236-F283 WeakPolarHBondContact O-CD1 3.48Å; A236-F283 WeakPolarHBondContact O-CE1 3.31Å; K239-F283 HydrophobicContact CB-CE1 4.18Å; M240-F283 HydrophobicContact CB-CD1 4.21Å; M240-F283 HydrophobicContact CB-CG 4.45Å; M240-F283 HydrophobicContact CG-CB 3.9Å; M240-F283 HydrophobicContact CG-CD1 3.42Å; M240-F283 VanDerWaalsContact CG-CD1 3.42Å; M240-F283 HydrophobicContact CG-CD2 3.68Å; M240-F283 HydrophobicContact CG-CE1 3.72Å; M240-F283 HydrophobicContact CG-CE2 3.92Å; M240-F283 HydrophobicContact CG-CG 3.38Å; M240-F283 HydrophobicContact CG-CZ 3.95Å; M240-F283 HydrophobicContact SD-CD2 4.22Å; M240-F283 HydrophobicContact SD-CE2 4.13Å; M240-F283 HydrophobicContact SD-CZ 4.39Å; G281-F283 VanDerWaalsContact C-N 3.34Å; G281-F283 PolarHBondContact O-N 2.66Å; F283-E285 PolarHBondContact O-N 2.77Å; F283-Y286 PolarHBondContact O-N 3.42Å; F283-V287 PolarHBondContact O-N 3.12Å; F283-M362 HydrophobicContact CB-CE 3.88Å; F283-M362 HydrophobicContact CB-SD 3.91Å; F283-M362 HydrophobicContact CD2-CB 3.8Å; F283-M362 HydrophobicContact CD2-CG 4.49Å; F283-M362 HydrophobicContact CD2-SD 4.26Å; F283-M362 HydrophobicContact CE2-CB 4.43Å; F283-M362 HydrophobicContact CG-SD 4.43Å; F283-D364 HydrophobicContact CD2-CB 4.08Å; F283-D364 HydrophobicContact CE2-CB 3.62Å; F283-D364 HydrophobicContact CZ-CB 3.9Å; F283-Y443 HydrophobicContact CE2-CE1 4.29Å; F283-Y443 AromaticContact CZ-CE1 3.88Å; F283-Y443 HydrophobicContact CZ-CE1 3.88Å
284	S	98.1	Very high	95.4	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-57.2	-39.9	171.2	-69.9	0	0	0	0	114.2	D275 G281 Y286 V287 L288 F321	D275-S284 WeakPolarHBondContact CB-OG 3.38Å; D275-S284 VanDerWaalsContact CG-OG 3.27Å; D275-S284 WeakPolarHBondContact OD2-CB 3.45Å; D275-S284 PolarHBondContact OD2-N 3.46Å; D275-S284 PolarHBondContact OD2-OG 3.02Å; G281-S284 WeakPolarHBondContact O-CB 3.28Å; G281-S284 PolarHBondContact O-N 2.83Å; S284-Y286 VanDerWaalsContact C-N 3.34Å; S284-Y286 PolarHBondContact O-N 2.68Å; S284-V287 PolarHBondContact O-N 2.98Å; S284-L288 WeakPolarHBondContact O-CB 3.49Å; S284-L288 VanDerWaalsContact O-CG 3.32Å; S284-L288 WeakPolarHBondContact O-CG 3.17Å; S284-L288 PolarHBondContact O-N 3.27Å; S284-F321 WeakPolarHBondContact OG-CE2 3.22Å; S284-F321 WeakPolarHBondContact OG-CZ 3.36Å
285	E	97.4	Very high	95.3	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-61.3	-42	177.7	-164	-169.3	-169.9	0	0	111.3	F232 L233 G281 G282 F283 W289 F313 Y314 S315 A316	F232-E285 WeakPolarHBondContact CA-OE2 3.43Å; F232-E285 WeakPolarHBondContact CB-OE2 3.48Å; F232-E285 HydrophobicContact CD1-CB 4.49Å; F232-E285 HydrophobicContact CD1-CG 4.08Å; L233-E285 WeakPolarHBondContact CB-OE2 3.29Å; L233-E285 HydrophobicContact CD2-CB 4.1Å; L233-E285 HydrophobicContact CD2-CG 4.49Å; L233-E285 WeakPolarHBondContact CD2-OE2 3.47Å; L233-E285 WeakPolarHBondContact CG-OE2 3.47Å; L233-E285 PolarHBondContact N-OE2 3.01Å; G281-E285 PolarHBondContact O-N 3.28Å; G282-E285 PolarHBondContact O-N 2.97Å; F283-E285 PolarHBondContact O-N 2.77Å; E285-W289 WeakPolarHBondContact O-CB 3.5Å; E285-W289 PolarHBondContact O-N 2.94Å; E285-F313 HydrophobicContact CB-CD1 4.48Å; E285-F313 HydrophobicContact CB-CD2 4.13Å; E285-F313 HydrophobicContact CB-CE1 4.46Å; E285-F313 HydrophobicContact CB-CE2 4.1Å; E285-F313 HydrophobicContact CB-CG 4.32Å; E285-F313 HydrophobicContact CB-CZ 4.28Å; E285-F313 HydrophobicContact CG-CB 4.4Å; E285-F313 HydrophobicContact CG-CD2 4.15Å; E285-F313 HydrophobicContact CG-CG 4.11Å; E285-Y314 PolarHBondContact OE1-N 2.96Å; E285-S315 WeakPolarHBondContact OE1-CB 3.5Å; E285-S315 PolarHBondContact OE1-N 2.87Å; E285-S315 VanDerWaalsContact OE1-N 3.14Å; E285-S315 PolarHBondContact OE1-OG 3.04Å; E285-A316 HydrophobicContact CG-CB 3.89Å
286	Y	98.1	Very high	95.3	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-59	-51.3	175	170.4	-104.4	0	0	0	112.2	F232 M240 A241 D244 R249 T252 G282 F283 S284 L288 W289 R290 I541	F232-Y286 HydrophobicContact CE1-CD2 4.49Å; F232-Y286 AromaticContact CZ-CD2 3.93Å; F232-Y286 HydrophobicContact CZ-CD2 3.93Å; M240-Y286 HydrophobicContact CB-CD1 3.79Å; M240-Y286 HydrophobicContact CB-CG 4.26Å; A241-Y286 HydrophobicContact CB-CD2 3.65Å; A241-Y286 HydrophobicContact CB-CE2 3.6Å; A241-Y286 HydrophobicContact CB-CG 4.36Å; D244-Y286 HydrophobicContact CB-CE1 3.76Å; D244-Y286 PolarHBondContact OD2-OH 3.31Å; R249-Y286 PolarHBondContact NH1-OH 2.75Å; R249-Y286 VanDerWaalsContact NH1-OH 3.12Å; T252-Y286 HydrophobicContact CG2-CE1 3.84Å; G282-Y286 PolarHBondContact O-N 3Å; F283-Y286 PolarHBondContact O-N 3.42Å; S284-Y286 VanDerWaalsContact C-N 3.34Å; S284-Y286 PolarHBondContact O-N 2.68Å; Y286-L288 PolarHBondContact O-N 2.87Å; Y286-W289 HydrophobicContact CD2-CE3 4.12Å; Y286-W289 HydrophobicContact CD2-CZ3 4.33Å; Y286-W289 HydrophobicContact CE2-CE3 4.08Å; Y286-W289 AromaticContact CE2-CZ3 3.91Å; Y286-W289 HydrophobicContact CE2-CZ3 3.91Å; Y286-W289 PolarHBondContact O-N 3.46Å; Y286-R290 HydrophobicContact CE2-CB 4.45Å; Y286-R290 WeakPolarHBondContact O-CB 3.35Å; Y286-R290 PolarHBondContact O-N 3.09Å; Y286-R290 PolarHBondContact OH-NE 3.48Å; Y286-R290 VanDerWaalsContact OH-NE 3.1Å; Y286-R290 PolarHBondContact OH-NH2 3.24Å; Y286-I541 HydrophobicContact CE2-CD1 4.03Å
287	V	98.3	Very high	95.3	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-62.4	-45.3	-177.2	176.4	0	0	0	0	110.9	F273 F283 S284 R290 K291 F360 M362	F273-V287 HydrophobicContact CD1-CG1 3.65Å; F273-V287 HydrophobicContact CD2-CG1 4.46Å; F273-V287 HydrophobicContact CE1-CB 4.24Å; F273-V287 HydrophobicContact CE1-CG1 3.58Å; F273-V287 HydrophobicContact CE2-CB 4.4Å; F273-V287 HydrophobicContact CE2-CG1 4.41Å; F273-V287 HydrophobicContact CG-CG1 4.09Å; F273-V287 HydrophobicContact CZ-CB 4.13Å; F273-V287 HydrophobicContact CZ-CG1 3.98Å; F283-V287 PolarHBondContact O-N 3.12Å; S284-V287 PolarHBondContact O-N 2.98Å; V287-R290 PolarHBondContact O-N 3.49Å; V287-K291 WeakPolarHBondContact O-CB 3.31Å; V287-K291 PolarHBondContact O-N 3.35Å; V287-F360 HydrophobicContact CG1-CZ 4.01Å; V287-F360 HydrophobicContact CG2-CE2 4.25Å; V287-F360 HydrophobicContact CG2-CZ 4Å; V287-M362 HydrophobicContact CG2-CE 3.97Å; V287-M362 HydrophobicContact CG2-SD 3.91Å
288	L	97.3	Very high	95.6	Very high	2 Å²	2	15.9 Å²	15.9	1%	0.01	8%	0.075	C	C	.	.	H	α-helix	trans	-71.5	-32.4	180	-66.9	176.3	0	0	0	112.9	F273 S284 Y286 K292 A295 F313 A316 L320 F321	F273-L288 HydrophobicContact CE1-CD2 3.78Å; F273-L288 HydrophobicContact CE1-CG 4.19Å; F273-L288 HydrophobicContact CZ-CD1 4.46Å; F273-L288 HydrophobicContact CZ-CD2 4.03Å; F273-L288 HydrophobicContact CZ-CG 3.95Å; S284-L288 WeakPolarHBondContact O-CB 3.49Å; S284-L288 VanDerWaalsContact O-CG 3.32Å; S284-L288 WeakPolarHBondContact O-CG 3.17Å; S284-L288 PolarHBondContact O-N 3.27Å; Y286-L288 PolarHBondContact O-N 2.87Å; L288-K292 WeakPolarHBondContact O-CA 3.21Å; L288-K292 PolarHBondContact O-N 3.44Å; L288-A295 HydrophobicContact CD2-CB 4.17Å; L288-F313 HydrophobicContact CD1-CD2 4.47Å; L288-F313 HydrophobicContact CD1-CE2 4.18Å; L288-A316 HydrophobicContact CB-CB 3.72Å; L288-L320 HydrophobicContact CD1-CB 4.42Å; L288-L320 HydrophobicContact CD2-CB 3.75Å; L288-L320 HydrophobicContact CD2-CD1 4.29Å; L288-F321 HydrophobicContact CD1-CB 4.01Å; L288-F321 HydrophobicContact CD1-CD2 4.42Å
289	W	96.3	Very high	96.2	Very high	54 Å²	54	15.5 Å²	15.5	21%	0.205	7%	0.071	C	C	.	.	H	α-helix	trans	-64.8	-45.9	169.8	167.6	82.8	0	0	0	111.2	F231 F232 E285 Y286 A316 I541 P542	F231-W289 AromaticContact CE2-CD1 3.94Å; F231-W289 HydrophobicContact CE2-CD2 4.19Å; F231-W289 AromaticContact CE2-CE2 3.86Å; F231-W289 HydrophobicContact CE2-CG 4.26Å; F231-W289 HydrophobicContact CE2-CZ2 4.38Å; F231-W289 AromaticContact CE2-NE1 3.65Å; F231-W289 HydrophobicContact CZ-CD2 4.23Å; F231-W289 AromaticContact CZ-CE2 3.67Å; F231-W289 HydrophobicContact CZ-CH2 4.28Å; F231-W289 AromaticContact CZ-CZ2 3.73Å; F231-W289 HydrophobicContact CZ-CZ2 3.73Å; F231-W289 AromaticContact CZ-NE1 3.86Å; F232-W289 HydrophobicContact CE1-CB 3.93Å; F232-W289 HydrophobicContact CE1-CD2 4.07Å; F232-W289 HydrophobicContact CE1-CE3 4.18Å; F232-W289 AromaticContact CE1-CG 3.96Å; F232-W289 HydrophobicContact CE1-CG 3.96Å; F232-W289 AromaticContact CZ-CD2 3.9Å; F232-W289 HydrophobicContact CZ-CD2 3.9Å; F232-W289 AromaticContact CZ-CE3 3.71Å; F232-W289 HydrophobicContact CZ-CE3 3.71Å; F232-W289 HydrophobicContact CZ-CG 4.28Å; F232-W289 HydrophobicContact CZ-CZ3 4.2Å; E285-W289 WeakPolarHBondContact O-CB 3.5Å; E285-W289 PolarHBondContact O-N 2.94Å; Y286-W289 HydrophobicContact CD2-CE3 4.12Å; Y286-W289 HydrophobicContact CD2-CZ3 4.33Å; Y286-W289 HydrophobicContact CE2-CE3 4.08Å; Y286-W289 AromaticContact CE2-CZ3 3.91Å; Y286-W289 HydrophobicContact CE2-CZ3 3.91Å; Y286-W289 PolarHBondContact O-N 3.46Å; W289-A316 HydrophobicContact CB-CB 4.4Å; W289-I541 HydrophobicContact CH2-CD1 3.77Å; W289-I541 HydrophobicContact CZ3-CD1 3.61Å; W289-P542 HydrophobicContact CZ2-CG 4.06Å
290	R	96.6	Very high	96.7	Very high	72 Å²	72	14.9 Å²	14.9	27%	0.272	6%	0.064	S	C	.	.	H	α-helix	trans	-68	-39.4	-177.5	-176.7	67.4	78.6	-168.9	6.7	112.7	T252 Y286 V287 W539 G540	T252-R290 HydrophobicContact CG2-CB 4.24Å; T252-R290 HydrophobicContact CG2-CG 3.94Å; Y286-R290 HydrophobicContact CE2-CB 4.45Å; Y286-R290 WeakPolarHBondContact O-CB 3.35Å; Y286-R290 PolarHBondContact O-N 3.09Å; Y286-R290 PolarHBondContact OH-NE 3.48Å; Y286-R290 VanDerWaalsContact OH-NE 3.1Å; Y286-R290 PolarHBondContact OH-NH2 3.24Å; V287-R290 PolarHBondContact O-N 3.49Å; R290-W539 PolarHBondContact NH2-O 3.14Å; R290-G540 PolarHBondContact NH1-O 3.33Å; R290-G540 PolarHBondContact NH2-O 3.43Å
291	K	95.6	Very high	96.9	Very high	23 Å²	23	14.1 Å²	14.1	10%	0.1	6%	0.06	C	C	.	.	H	α-helix	trans	-106.6	-9.8	-173.1	-68.1	-62.7	-60.5	-179.1	0	115.2	T252 D265 L271 V287 H294 A295	T252-K291 VanDerWaalsContact O-CD 3.3Å; T252-K291 WeakPolarHBondContact O-CD 3.37Å; D265-K291 VanDerWaalsContact CG-NZ 3.3Å; D265-K291 IonicContact OD1-NZ 3.99Å; D265-K291 PolarHBondContact OD1-NZ 3.24Å; D265-K291 IonicContact OD2-NZ 2.64Å; D265-K291 PolarHBondContact OD2-NZ 2.81Å; D265-K291 VanDerWaalsContact OD2-NZ 3.12Å; L271-K291 HydrophobicContact CD2-CD 4.44Å; L271-K291 HydrophobicContact CD2-CG 3.8Å; V287-K291 WeakPolarHBondContact O-CB 3.31Å; V287-K291 PolarHBondContact O-N 3.35Å; K291-H294 WeakPolarHBondContact O-CB 3.31Å; K291-H294 PolarHBondContact O-N 2.88Å; K291-H294 VanDerWaalsContact O-N 3.16Å; K291-A295 HydrophobicContact CB-CB 3.85Å
292	K	94.3	Very high	96.9	Very high	97 Å²	97	17.1 Å²	17.1	42%	0.422	8%	0.075	S	C	.	.	G	3₁₀ helix	trans	49.1	-144.9	-177.5	-55.1	-170.8	176.4	-169.7	0	110.7	L288 H294 A295 L320	L288-K292 WeakPolarHBondContact O-CA 3.21Å; L288-K292 PolarHBondContact O-N 3.44Å; K292-H294 PolarHBondContact O-N 3.42Å; K292-A295 PolarHBondContact O-N 2.88Å; K292-L320 WeakPolarHBondContact O-CD1 3.36Å
293	W	94.5	Very high	96.8	Very high	2 Å²	2	21.2 Å²	21.2	1%	0.008	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-63	0.3	177.5	70.2	-81.8	0	0	0	116.3	A295 L320 L666 N667 T669 L682 K685 F686	W293-A295 VanDerWaalsContact C-N 3.29Å; W293-L320 HydrophobicContact CB-CD1 4.42Å; W293-L320 HydrophobicContact CB-CD2 4.22Å; W293-L666 HydrophobicContact CD2-CB 4.18Å; W293-L666 HydrophobicContact CE3-CD1 4.42Å; W293-L666 HydrophobicContact CH2-CB 4.31Å; W293-L666 HydrophobicContact CH2-CD1 3.48Å; W293-L666 VanDerWaalsContact CH2-CD1 3.48Å; W293-L666 HydrophobicContact CZ2-CB 3.89Å; W293-L666 HydrophobicContact CZ2-CD1 3.88Å; W293-L666 HydrophobicContact CZ3-CD1 3.8Å; W293-L666 PolarHBondContact NE1-O 3.42Å; W293-N667 HydrophobicContact CB-CB 4.14Å; W293-N667 HydrophobicContact CG-CB 4.23Å; W293-T669 PolarHBondContact NE1-OG1 3.19Å; W293-L682 HydrophobicContact CH2-CB 3.96Å; W293-L682 HydrophobicContact CH2-CD2 3.82Å; W293-L682 HydrophobicContact CH2-CG 4.35Å; W293-L682 WeakPolarHBondContact CZ3-O 3.41Å; W293-K685 HydrophobicContact CZ3-CB 4.4Å; W293-K685 HydrophobicContact CZ3-CD 4.23Å; W293-K685 HydrophobicContact CZ3-CG 4.16Å; W293-F686 HydrophobicContact CB-CD2 3.83Å; W293-F686 HydrophobicContact CB-CE2 4.07Å; W293-F686 HydrophobicContact CD2-CD2 4.03Å; W293-F686 HydrophobicContact CE3-CB 3.82Å; W293-F686 AromaticContact CE3-CD2 3.79Å; W293-F686 HydrophobicContact CE3-CD2 3.79Å; W293-F686 HydrophobicContact CE3-CG 4.32Å; W293-F686 HydrophobicContact CG-CD2 4.1Å; W293-F686 HydrophobicContact CZ3-CB 3.93Å
294	H	96.2	Very high	96.5	Very high	28 Å²	28	23.2 Å²	23.2	13%	0.13	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-85.1	0.7	171	-55.3	-55.9	0	0	0	113.3	D265 L270 L271 K291 K292 K685	D265-H294 IonicContact OD1-CD2 2.66Å; D265-H294 IonicContact OD1-CG 3.82Å; L270-H294 WeakPolarHBondContact CA-O 3.49Å; L271-H294 PolarHBondContact N-O 3.12Å; K291-H294 WeakPolarHBondContact O-CB 3.31Å; K291-H294 PolarHBondContact O-N 2.88Å; K291-H294 VanDerWaalsContact O-N 3.16Å; K292-H294 PolarHBondContact O-N 3.42Å; H294-K685 WeakPolarHBondContact ND1-CE 3.22Å
295	A	97	Very high	96	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	155.1	175.3	0	0	0	0	0	112.6	L271 F273 L288 K291 K292 W293	L271-A295 HydrophobicContact CB-CB 4.11Å; L271-A295 CarbonylContact O-C 3.58Å; L271-A295 WeakPolarHBondContact O-CA 3.48Å; L271-A295 WeakPolarHBondContact O-CB 3.49Å; F273-A295 HydrophobicContact CD1-CB 4.42Å; F273-A295 HydrophobicContact CE1-CB 4.25Å; L288-A295 HydrophobicContact CD2-CB 4.17Å; K291-A295 HydrophobicContact CB-CB 3.85Å; K292-A295 PolarHBondContact O-N 2.88Å; W293-A295 VanDerWaalsContact C-N 3.29Å
296	K	97.8	Very high	95.6	Very high	4 Å²	4	30.6 Å²	30.6	2%	0.017	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	122.5	170.9	169.8	71.7	-171.3	-172.3	0	108.1	L270 L271 Y272 F273 F298 E322 A689 S691	L270-K296 HydrophobicContact CD1-CB 4.38Å; L271-K296 PolarHBondContact O-N 2.89Å; Y272-K296 WeakPolarHBondContact CA-O 3.33Å; Y272-K296 HydrophobicContact CD1-CB 3.82Å; Y272-K296 HydrophobicContact CD1-CG 3.96Å; Y272-K296 HydrophobicContact CE1-CB 3.88Å; Y272-K296 HydrophobicContact CE1-CG 3.93Å; F273-K296 WeakPolarHBondContact CD1-O 3.17Å; F273-K296 PolarHBondContact N-O 2.83Å; F273-K296 VanDerWaalsContact N-O 3.1Å; K296-F298 HydrophobicContact CD-CE1 4.41Å; K296-F298 VanDerWaalsContact CE-CE1 3.47Å; K296-F298 HydrophobicContact CG-CE1 4.03Å; K296-F298 HydrophobicContact CG-CE2 4.27Å; K296-F298 HydrophobicContact CG-CZ 3.74Å; K296-E322 WeakPolarHBondContact CE-OE2 3.32Å; K296-E322 IonicContact NZ-OE2 2.77Å; K296-E322 PolarHBondContact NZ-OE2 2.87Å; K296-A689 VanDerWaalsContact CD-O 3.24Å; K296-A689 WeakPolarHBondContact CD-O 3.31Å; K296-S691 PolarHBondContact NZ-O 3.23Å
297	G	98.1	Very high	95.4	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	144.9	178.7	0	0	0	0	0	113.2	F273 L320 E322	F273-G297 VanDerWaalsContact CZ-CA 3.45Å; F273-G297 WeakPolarHBondContact O-CA 3.49Å; G297-L320 PolarHBondContact N-O 2.68Å; G297-E322 PolarHBondContact O-N 3.02Å
298	F	98.3	Very high	95.2	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	130.5	172.4	-50.1	-76.2	0	0	0	109.7	Y272 F273 A274 D275 K296 F345 F348 V349 N352 T353 V358	Y272-F298 AromaticContact CD1-CE2 3.72Å; Y272-F298 HydrophobicContact CD1-CE2 3.72Å; Y272-F298 AromaticContact CD1-CZ 3.9Å; Y272-F298 HydrophobicContact CD1-CZ 3.9Å; Y272-F298 HydrophobicContact CE1-CE2 4.48Å; Y272-F298 HydrophobicContact CE1-CZ 4.21Å; F273-F298 WeakPolarHBondContact O-CD2 3.46Å; F273-F298 PolarHBondContact O-N 3Å; A274-F298 CarbonylContact C-O 3.56Å; A274-F298 VanDerWaalsContact CA-O 3.25Å; A274-F298 WeakPolarHBondContact CA-O 3.4Å; D275-F298 PolarHBondContact N-O 2.9Å; K296-F298 HydrophobicContact CD-CE1 4.41Å; K296-F298 VanDerWaalsContact CE-CE1 3.47Å; K296-F298 HydrophobicContact CG-CE1 4.03Å; K296-F298 HydrophobicContact CG-CE2 4.27Å; K296-F298 HydrophobicContact CG-CZ 3.74Å; F298-F345 HydrophobicContact CB-CE2 4.25Å; F298-F345 HydrophobicContact CB-CZ 4.14Å; F298-F348 HydrophobicContact CB-CE1 4.3Å; F298-F348 AromaticContact CD1-CE1 3.66Å; F298-F348 HydrophobicContact CD1-CE1 3.66Å; F298-F348 AromaticContact CD1-CZ 3.86Å; F298-F348 HydrophobicContact CD1-CZ 3.86Å; F298-F348 HydrophobicContact CE1-CE1 4.44Å; F298-F348 HydrophobicContact CE1-CZ 4.3Å; F298-F348 HydrophobicContact CG-CE1 4.34Å; F298-V349 HydrophobicContact CB-CG2 3.99Å; F298-V349 HydrophobicContact CD2-CG1 4.3Å; F298-V349 HydrophobicContact CD2-CG2 4.3Å; F298-V349 HydrophobicContact CG-CG2 4.16Å; F298-N352 HydrophobicContact CE1-CB 3.65Å; F298-N352 HydrophobicContact CZ-CB 3.66Å; F298-T353 HydrophobicContact CE2-CG2 3.62Å; F298-T353 HydrophobicContact CZ-CG2 4.06Å; F298-V358 HydrophobicContact CD2-CG1 3.89Å; F298-V358 HydrophobicContact CE2-CG1 4.18Å
299	G	97.9	Very high	94.9	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	142.3	-174.5	0	0	0	0	0	113.6	D275 E322 P323 Y324	D275-G299 WeakPolarHBondContact O-CA 3.46Å; G299-E322 PolarHBondContact N-O 3.2Å; G299-P323 CarbonylContact O-C 3.52Å; G299-P323 WeakPolarHBondContact O-CA 3.4Å; G299-Y324 PolarHBondContact O-N 3.12Å
300	M	98.1	Very high	94.6	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.01	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	123.1	163.9	-175.7	166.9	65.2	0	0	110	D275 V276 C277 Y324 I336 N341 F345 M390	D275-M300 PolarHBondContact O-N 3.05Å; V276-M300 CarbonylContact C-O 3.31Å; V276-M300 VanDerWaalsContact CA-O 3.3Å; V276-M300 WeakPolarHBondContact CA-O 3.5Å; V276-M300 HydrophobicContact CG1-CB 4.39Å; C277-M300 PolarHBondContact N-O 2.9Å; M300-Y324 WeakPolarHBondContact CB-O 3.4Å; M300-Y324 VanDerWaalsContact CG-O 3.3Å; M300-Y324 WeakPolarHBondContact CG-O 3.37Å; M300-I336 HydrophobicContact CE-CB 4.13Å; M300-I336 HydrophobicContact CE-CD1 4.32Å; M300-I336 HydrophobicContact CE-CG1 3.82Å; M300-N341 HydrophobicContact SD-CB 4.5Å; M300-F345 HydrophobicContact CB-CD1 4.35Å; M300-F345 HydrophobicContact CB-CD2 3.98Å; M300-F345 HydrophobicContact CB-CE1 4.27Å; M300-F345 HydrophobicContact CB-CE2 3.89Å; M300-F345 HydrophobicContact CB-CG 4.2Å; M300-F345 HydrophobicContact CB-CZ 4.04Å; M300-F345 HydrophobicContact CE-CB 3.93Å; M300-F345 HydrophobicContact CE-CD1 3.98Å; M300-F345 HydrophobicContact CE-CG 4.01Å; M300-F345 HydrophobicContact SD-CB 3.8Å; M300-F345 HydrophobicContact SD-CD2 4.37Å; M300-F345 HydrophobicContact SD-CG 4.01Å; M300-M390 HydrophobicContact CE-CE 3.76Å
301	T	96.9	Very high	94.1	Very high	9 Å²	9	37.6 Å²	37.6	6%	0.055	20%	0.198	C	C	.	.			trans	-146.3	156.7	176.9	-161.6	0	0	0	0	109.2	G279 K303 F308 Y325 G334	G279-T301 PolarHBondContact N-OG1 2.89Å; T301-K303 PolarHBondContact O-N 2.83Å; T301-F308 HydrophobicContact CG2-CD2 3.47Å; T301-F308 VanDerWaalsContact CG2-CD2 3.47Å; T301-F308 HydrophobicContact CG2-CE2 3.48Å; T301-F308 VanDerWaalsContact CG2-CE2 3.48Å; T301-F308 HydrophobicContact CG2-CG 4.07Å; T301-F308 HydrophobicContact CG2-CZ 4.07Å; T301-Y325 HydrophobicContact CG2-CE1 4.45Å; T301-Y325 VanDerWaalsContact O-CD1 3.23Å; T301-Y325 WeakPolarHBondContact O-CD1 3.32Å; T301-Y325 WeakPolarHBondContact O-CE1 3.09Å; T301-G334 WeakPolarHBondContact O-CA 3.45Å
302	L	95.2	Very high	93.8	Very high	63 Å²	63	38.6 Å²	38.6	33%	0.33	20%	0.204	S	C	.	.			trans	-63.2	132.2	175.9	-80.8	155.5	0	0	0	110.7	L27 D335	L27-L302 HydrophobicContact CD1-CB 4.01Å; L27-L302 HydrophobicContact CD1-CD1 3.53Å; L27-L302 HydrophobicContact CD1-CG 4.32Å; L302-D335 HydrophobicContact CD2-CB 3.74Å
303	K	92.8	Very high	93.5	Very high	87 Å²	87	34.2 Å²	34.2	38%	0.378	19%	0.185	S	C	.	.	S	Bend	trans	-63.9	147.1	173.4	-73.8	-172.7	172.3	161.4	0	111.6	T301 Y325 I330 D331 G332 D333	T301-K303 PolarHBondContact O-N 2.83Å; K303-Y325 HydrophobicContact CD-CD1 4.27Å; K303-Y325 HydrophobicContact CG-CD1 3.55Å; K303-Y325 HydrophobicContact CG-CE1 3.63Å; K303-Y325 HydrophobicContact CG-CG 4.26Å; K303-I330 WeakPolarHBondContact CE-O 3.46Å; K303-I330 PolarHBondContact NZ-O 3.35Å; K303-D331 VanDerWaalsContact NZ-C 3.29Å; K303-D331 PolarHBondContact NZ-O 2.93Å; K303-G332 VanDerWaalsContact CD-O 3.26Å; K303-G332 WeakPolarHBondContact CD-O 3.38Å; K303-G332 WeakPolarHBondContact CE-O 2.91Å; K303-G332 PolarHBondContact NZ-O 3.23Å; K303-D333 PolarHBondContact N-O 2.94Å
304	G	91.6	Very high	93	Very high	44 Å²	44	37.1 Å²	37.1	45%	0.454	20%	0.197	S	C	.	.	S	Bend	trans	134.6	-149.9	175.3	0	0	0	0	0	112.7	N306 D307	G304-N306 PolarHBondContact O-N 3.2Å; G304-D307 WeakPolarHBondContact O-CB 3.27Å; G304-D307 PolarHBondContact O-N 2.75Å; G304-D307 VanDerWaalsContact O-N 3.15Å
305	P	88.4	Confident	92.3	Very high	110 Å²	110	37.2 Å²	37.2	71%	0.714	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-29.2	-178.1	-26.3	35.9	0	0	0	114.8
306	N	87.4	Confident	91.8	Very high	46 Å²	46	37.5 Å²	37.5	25%	0.246	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.6	28.2	179.5	-52.6	-22.9	0	0	0	112.6	L27 S29 G279 G304	L27-N306 VanDerWaalsContact C-ND2 3.34Å; L27-N306 PolarHBondContact O-ND2 3.13Å; S29-N306 PolarHBondContact N-ND2 2.93Å; G279-N306 CarbonylContact C-O 3.53Å; G279-N306 VanDerWaalsContact CA-O 3.27Å; G279-N306 WeakPolarHBondContact CA-O 3.46Å; G304-N306 PolarHBondContact O-N 3.2Å
307	D	94.2	Very high	91.4	Very high	34 Å²	34	37.5 Å²	37.5	18%	0.182	20%	0.204	C	C	.	.	S	Bend	trans	-68.9	168.5	169.6	-154	-20.8	0	0	0	110.9	P280 G304 K309 Y325	P280-D307 WeakPolarHBondContact CA-O 3.41Å; G304-D307 WeakPolarHBondContact O-CB 3.27Å; G304-D307 PolarHBondContact O-N 2.75Å; G304-D307 VanDerWaalsContact O-N 3.15Å; D307-K309 PolarHBondContact O-N 2.86Å; D307-Y325 VanDerWaalsContact CG-OH 3.3Å; D307-Y325 VanDerWaalsContact OD1-CE1 3.28Å; D307-Y325 WeakPolarHBondContact OD1-CE1 3.41Å; D307-Y325 PolarHBondContact OD1-OH 2.93Å; D307-Y325 PolarHBondContact OD2-OH 3Å
308	F	93.8	Very high	91.1	Very high	16 Å²	16	37.9 Å²	37.9	7%	0.07	21%	0.206	C	C	.	.			trans	-59.3	123.6	174.8	-69.7	-70.1	0	0	0	111.7	A278 T301 L310 F321 P323	A278-F308 HydrophobicContact CB-CE1 4.14Å; A278-F308 HydrophobicContact CB-CZ 4.45Å; T301-F308 HydrophobicContact CG2-CD2 3.47Å; T301-F308 VanDerWaalsContact CG2-CD2 3.47Å; T301-F308 HydrophobicContact CG2-CE2 3.48Å; T301-F308 VanDerWaalsContact CG2-CE2 3.48Å; T301-F308 HydrophobicContact CG2-CG 4.07Å; T301-F308 HydrophobicContact CG2-CZ 4.07Å; F308-L310 HydrophobicContact CB-CD2 4.05Å; F308-L310 HydrophobicContact CB-CG 4.12Å; F308-L310 PolarHBondContact O-N 2.85Å; F308-F321 AromaticContact CD1-CE1 3.9Å; F308-F321 HydrophobicContact CD1-CE1 3.9Å; F308-F321 HydrophobicContact CD1-CZ 4.37Å; F308-F321 HydrophobicContact CD2-CE1 4.29Å; F308-F321 AromaticContact CE1-CE1 3.7Å; F308-F321 HydrophobicContact CE1-CE1 3.7Å; F308-F321 AromaticContact CE1-CZ 3.75Å; F308-F321 HydrophobicContact CE1-CZ 3.75Å; F308-F321 HydrophobicContact CE2-CE1 4.1Å; F308-F321 HydrophobicContact CG-CE1 4.19Å; F308-F321 AromaticContact CZ-CE1 3.81Å; F308-F321 HydrophobicContact CZ-CE1 3.81Å; F308-F321 AromaticContact CZ-CZ 3.83Å; F308-F321 HydrophobicContact CZ-CZ 3.83Å; F308-P323 HydrophobicContact CD2-CB 3.87Å; F308-P323 HydrophobicContact CD2-CG 4.02Å; F308-P323 HydrophobicContact CE2-CB 4.23Å; F308-P323 HydrophobicContact CG-CG 4.47Å
309	K	93	Very high	90.9	Very high	87 Å²	87	38.1 Å²	38.1	38%	0.378	21%	0.207	S	C	.	.			trans	-97.5	66.2	174.5	-60.7	-176.3	-178.4	179.9	0	109.5	P280 D307 E311 D312 F313	P280-K309 HydrophobicContact CB-CB 4Å; P280-K309 HydrophobicContact CB-CD 3.97Å; P280-K309 HydrophobicContact CB-CG 3.79Å; P280-K309 PolarHBondContact O-N 3.09Å; D307-K309 PolarHBondContact O-N 2.86Å; K309-E311 VanDerWaalsContact C-OE2 3.28Å; K309-E311 WeakPolarHBondContact CA-OE2 3.45Å; K309-E311 PolarHBondContact O-N 3.35Å; K309-E311 VanDerWaalsContact O-N 3.17Å; K309-D312 HydrophobicContact CB-CB 4.04Å; K309-D312 WeakPolarHBondContact O-CB 3.25Å; K309-D312 PolarHBondContact O-N 3.04Å; K309-F313 WeakPolarHBondContact O-CD1 3.39Å
310	L	89.2	Confident	90.8	Very high	30 Å²	30	38.1 Å²	38.1	16%	0.157	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-62.2	-21.4	-177.7	-65	-167.1	0	0	0	113.2	F308 D312 F313 S318 F321 P323	F308-L310 HydrophobicContact CB-CD2 4.05Å; F308-L310 HydrophobicContact CB-CG 4.12Å; F308-L310 PolarHBondContact O-N 2.85Å; L310-D312 PolarHBondContact O-N 3.19Å; L310-F313 HydrophobicContact CD2-CE1 4.05Å; L310-F313 HydrophobicContact CD2-CE2 4.25Å; L310-F313 HydrophobicContact CD2-CZ 3.88Å; L310-S318 WeakPolarHBondContact O-CB 3.4Å; L310-S318 PolarHBondContact O-OG 3.4Å; L310-F321 HydrophobicContact CD1-CD1 4.33Å; L310-F321 HydrophobicContact CD2-CD1 3.7Å; L310-F321 HydrophobicContact CD2-CE1 4.32Å; L310-F321 HydrophobicContact CD2-CG 4.43Å; L310-P323 HydrophobicContact CD1-CG 3.65Å; L310-P323 HydrophobicContact CG-CG 4.4Å
311	E	86.6	Confident	90.7	Very high	107 Å²	107	38 Å²	38	50%	0.5	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-67.2	-27.8	173.2	66.4	-84.1	-156.2	0	0	113.1	K309 K608	K309-E311 VanDerWaalsContact C-OE2 3.28Å; K309-E311 WeakPolarHBondContact CA-OE2 3.45Å; K309-E311 PolarHBondContact O-N 3.35Å; K309-E311 VanDerWaalsContact O-N 3.17Å; E311-K608 VanDerWaalsContact CA-NZ 3.31Å; E311-K608 PolarHBondContact O-NZ 3.33Å
312	D	88.4	Confident	90.7	Very high	45 Å²	45	37.7 Å²	37.7	24%	0.241	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-91.8	-2	-174.3	-93.5	-9.1	0	0	0	114.3	K309 L310 Y314 R546	K309-D312 HydrophobicContact CB-CB 4.04Å; K309-D312 WeakPolarHBondContact O-CB 3.25Å; K309-D312 PolarHBondContact O-N 3.04Å; L310-D312 PolarHBondContact O-N 3.19Å; D312-Y314 HydrophobicContact CB-CE1 4.48Å; D312-Y314 WeakPolarHBondContact O-CD1 3.17Å; D312-Y314 PolarHBondContact O-N 2.87Å; D312-Y314 PolarHBondContact OD1-OH 2.76Å; D312-R546 PolarHBondContact O-NH2 2.84Å; D312-R546 IonicContact OD1-NH2 3.74Å; D312-R546 IonicContact OD2-NH2 2.7Å
313	F	88.1	Confident	90.7	Very high	4 Å²	4	35.4 Å²	35.4	2%	0.018	19%	0.194	C	C	.	.			trans	-70.5	80.9	170.6	-77.5	37.3	0	0	0	108.8	L233 G281 E285 L288 K309 L310 A316 R633	L233-F313 HydrophobicContact CD2-CD1 3.51Å; L233-F313 HydrophobicContact CD2-CE1 3.46Å; L233-F313 VanDerWaalsContact CD2-CE1 3.46Å; L233-F313 HydrophobicContact CD2-CZ 4.44Å; G281-F313 WeakPolarHBondContact O-CZ 3.43Å; E285-F313 HydrophobicContact CB-CD1 4.48Å; E285-F313 HydrophobicContact CB-CD2 4.13Å; E285-F313 HydrophobicContact CB-CE1 4.46Å; E285-F313 HydrophobicContact CB-CE2 4.1Å; E285-F313 HydrophobicContact CB-CG 4.32Å; E285-F313 HydrophobicContact CB-CZ 4.28Å; E285-F313 HydrophobicContact CG-CB 4.4Å; E285-F313 HydrophobicContact CG-CD2 4.15Å; E285-F313 HydrophobicContact CG-CG 4.11Å; L288-F313 HydrophobicContact CD1-CD2 4.47Å; L288-F313 HydrophobicContact CD1-CE2 4.18Å; K309-F313 WeakPolarHBondContact O-CD1 3.39Å; L310-F313 HydrophobicContact CD2-CE1 4.05Å; L310-F313 HydrophobicContact CD2-CE2 4.25Å; L310-F313 HydrophobicContact CD2-CZ 3.88Å; F313-A316 HydrophobicContact CD2-CB 4.21Å; F313-R633 PolarHBondContact O-NH2 3.09Å
314	Y	84.6	Confident	90.9	Very high	63 Å²	63	33 Å²	33	25%	0.247	18%	0.182	C	C	.	.	S	Bend	trans	-78	-34.7	-179.5	-62.4	-9.3	0	0	0	110.6	E285 D312 R546 A548 R633	E285-Y314 PolarHBondContact OE1-N 2.96Å; D312-Y314 HydrophobicContact CB-CE1 4.48Å; D312-Y314 WeakPolarHBondContact O-CD1 3.17Å; D312-Y314 PolarHBondContact O-N 2.87Å; D312-Y314 PolarHBondContact OD1-OH 2.76Å; Y314-R546 HydrophobicContact CD2-CG 3.79Å; Y314-R546 HydrophobicContact CE2-CG 4.36Å; Y314-A548 HydrophobicContact CD2-CB 4.16Å; Y314-A548 HydrophobicContact CE2-CB 3.87Å; Y314-R633 PolarHBondContact O-NH1 3.3Å; Y314-R633 PolarHBondContact O-NH2 3.12Å
315	S	80.3	Confident	91.1	Very high	30 Å²	30	31.7 Å²	31.7	21%	0.21	16%	0.164	C	C	.	.	S	Bend	trans	-81	-21.8	-176	-30.7	0	0	0	0	113.4	F231 E285	F231-S315 WeakPolarHBondContact CD2-OG 3.18Å; F231-S315 PolarHBondContact O-OG 3.35Å; E285-S315 WeakPolarHBondContact OE1-CB 3.5Å; E285-S315 PolarHBondContact OE1-N 2.87Å; E285-S315 VanDerWaalsContact OE1-N 3.14Å; E285-S315 PolarHBondContact OE1-OG 3.04Å
316	A	86.8	Confident	91.4	Very high	7 Å²	7	26.4 Å²	26.4	6%	0.058	13%	0.13	C	C	.	.	S	Bend	trans	-129.2	169.2	-171.6	0	0	0	0	0	111.9	E285 L288 W289 F313 R633	E285-A316 HydrophobicContact CG-CB 3.89Å; L288-A316 HydrophobicContact CB-CB 3.72Å; W289-A316 HydrophobicContact CB-CB 4.4Å; F313-A316 HydrophobicContact CD2-CB 4.21Å; A316-R633 PolarHBondContact O-NH2 3.07Å
317	S	90.2	Very high	91.7	Very high	4 Å²	4	29.9 Å²	29.9	3%	0.028	15%	0.145	C	C	.	.			trans	-100.6	103	173.9	-119.2	0	0	0	0	110	E319 L320 P632	S317-E319 VanDerWaalsContact C-OE2 3.24Å; S317-E319 VanDerWaalsContact CA-OE2 3.23Å; S317-E319 WeakPolarHBondContact CA-OE2 3.49Å; S317-E319 WeakPolarHBondContact CB-OE2 3.49Å; S317-E319 PolarHBondContact O-N 3.3Å; S317-E319 PolarHBondContact OG-OE2 2.93Å; S317-L320 WeakPolarHBondContact O-CB 3.5Å; S317-L320 WeakPolarHBondContact O-CG 2.97Å; S317-L320 PolarHBondContact O-N 2.78Å; S317-P632 VanDerWaalsContact OG-CA 3.31Å; S317-P632 WeakPolarHBondContact OG-CA 3.18Å; S317-P632 VanDerWaalsContact OG-CB 3.31Å; S317-P632 WeakPolarHBondContact OG-CB 3.28Å
318	S	90.7	Very high	91.4	Very high	8 Å²	8	31 Å²	31	6%	0.056	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-71.4	-4.9	-179.3	50.8	0	0	0	0	113.9	L310 L320 F321	L310-S318 WeakPolarHBondContact O-CB 3.4Å; L310-S318 PolarHBondContact O-OG 3.4Å; S318-L320 PolarHBondContact O-N 2.66Å; S318-F321 PolarHBondContact O-N 2.76Å
319	E	94.4	Very high	91.3	Very high	4 Å²	4	30.6 Å²	30.6	2%	0.019	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-65.4	-22	168.4	-51.9	81.3	-174.3	0	0	112	S317 F321 K608 E630 P632 K692	S317-E319 VanDerWaalsContact C-OE2 3.24Å; S317-E319 VanDerWaalsContact CA-OE2 3.23Å; S317-E319 WeakPolarHBondContact CA-OE2 3.49Å; S317-E319 WeakPolarHBondContact CB-OE2 3.49Å; S317-E319 PolarHBondContact O-N 3.3Å; S317-E319 PolarHBondContact OG-OE2 2.93Å; E319-F321 VanDerWaalsContact C-N 3.27Å; E319-K608 WeakPolarHBondContact OE1-CA 3.38Å; E319-K608 PolarHBondContact OE1-N 2.85Å; E319-E630 HydrophobicContact CG-CB 4.02Å; E319-P632 HydrophobicContact CB-CG 4.13Å; E319-K692 VanDerWaalsContact O-CE 3.31Å; E319-K692 WeakPolarHBondContact O-CE 3.16Å
320	L	96.4	Very high	91	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-83.6	0.3	176.5	-54.7	169.2	0	0	0	113.2	L288 K292 W293 G297 S317 S318 P632 A689 V690	L288-L320 HydrophobicContact CD1-CB 4.42Å; L288-L320 HydrophobicContact CD2-CB 3.75Å; L288-L320 HydrophobicContact CD2-CD1 4.29Å; K292-L320 WeakPolarHBondContact O-CD1 3.36Å; W293-L320 HydrophobicContact CB-CD1 4.42Å; W293-L320 HydrophobicContact CB-CD2 4.22Å; G297-L320 PolarHBondContact N-O 2.68Å; S317-L320 WeakPolarHBondContact O-CB 3.5Å; S317-L320 WeakPolarHBondContact O-CG 2.97Å; S317-L320 PolarHBondContact O-N 2.78Å; S318-L320 PolarHBondContact O-N 2.66Å; L320-P632 HydrophobicContact CD2-CG 4.21Å; L320-P632 HydrophobicContact CG-CG 4.41Å; L320-A689 HydrophobicContact CD2-CB 3.82Å; L320-V690 HydrophobicContact CD2-CG1 3.84Å
321	F	96.8	Very high	91.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	145.3	-180	-163.1	-104.9	0	0	0	111.2	F273 D275 S284 L288 F308 L310 S318 E319 P323 K692	F273-F321 HydrophobicContact CE2-CD2 4.41Å; F273-F321 HydrophobicContact CE2-CE2 4.11Å; F273-F321 HydrophobicContact CZ-CD2 4.19Å; F273-F321 HydrophobicContact CZ-CE2 4.35Å; D275-F321 HydrophobicContact CB-CE2 4.28Å; D275-F321 HydrophobicContact CB-CZ 4.28Å; S284-F321 WeakPolarHBondContact OG-CE2 3.22Å; S284-F321 WeakPolarHBondContact OG-CZ 3.36Å; L288-F321 HydrophobicContact CD1-CB 4.01Å; L288-F321 HydrophobicContact CD1-CD2 4.42Å; F308-F321 AromaticContact CD1-CE1 3.9Å; F308-F321 HydrophobicContact CD1-CE1 3.9Å; F308-F321 HydrophobicContact CD1-CZ 4.37Å; F308-F321 HydrophobicContact CD2-CE1 4.29Å; F308-F321 AromaticContact CE1-CE1 3.7Å; F308-F321 HydrophobicContact CE1-CE1 3.7Å; F308-F321 AromaticContact CE1-CZ 3.75Å; F308-F321 HydrophobicContact CE1-CZ 3.75Å; F308-F321 HydrophobicContact CE2-CE1 4.1Å; F308-F321 HydrophobicContact CG-CE1 4.19Å; F308-F321 AromaticContact CZ-CE1 3.81Å; F308-F321 HydrophobicContact CZ-CE1 3.81Å; F308-F321 AromaticContact CZ-CZ 3.83Å; F308-F321 HydrophobicContact CZ-CZ 3.83Å; L310-F321 HydrophobicContact CD1-CD1 4.33Å; L310-F321 HydrophobicContact CD2-CD1 3.7Å; L310-F321 HydrophobicContact CD2-CE1 4.32Å; L310-F321 HydrophobicContact CD2-CG 4.43Å; S318-F321 PolarHBondContact O-N 2.76Å; E319-F321 VanDerWaalsContact C-N 3.27Å; F321-P323 HydrophobicContact CD1-CG 4Å; F321-P323 HydrophobicContact CE1-CG 4.09Å; F321-K692 WeakPolarHBondContact O-CE 3.24Å
322	E	95.8	Very high	91.4	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.009	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	100.3	179.9	-168.1	168.1	-177.8	0	0	111.3	K296 G297 G299 F348 K692 P693 S694	K296-E322 WeakPolarHBondContact CE-OE2 3.32Å; K296-E322 IonicContact NZ-OE2 2.77Å; K296-E322 PolarHBondContact NZ-OE2 2.87Å; G297-E322 PolarHBondContact O-N 3.02Å; G299-E322 PolarHBondContact N-O 3.2Å; E322-F348 HydrophobicContact CB-CZ 4.43Å; E322-F348 HydrophobicContact CG-CZ 3.84Å; E322-K692 HydrophobicContact CG-CG 4.42Å; E322-K692 VanDerWaalsContact OE1-CA 3.27Å; E322-K692 WeakPolarHBondContact OE1-CA 3.38Å; E322-K692 WeakPolarHBondContact OE2-CA 3.26Å; E322-P693 VanDerWaalsContact OE1-N 3.13Å; E322-P693 WeakPolarHBondContact OE2-CD 3.38Å; E322-S694 VanDerWaalsContact OE1-CB 3.25Å; E322-S694 WeakPolarHBondContact OE1-CB 3.39Å; E322-S694 PolarHBondContact OE1-N 2.8Å; E322-S694 PolarHBondContact OE1-OG 3.18Å
323	P	95.9	Very high	91.8	Very high	16 Å²	16	30.1 Å²	30.1	10%	0.104	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	139.6	168.5	-19.6	32.9	0	0	0	111.5	G299 F308 L310 F321 Y325	G299-P323 CarbonylContact O-C 3.52Å; G299-P323 WeakPolarHBondContact O-CA 3.4Å; F308-P323 HydrophobicContact CD2-CB 3.87Å; F308-P323 HydrophobicContact CD2-CG 4.02Å; F308-P323 HydrophobicContact CE2-CB 4.23Å; F308-P323 HydrophobicContact CG-CG 4.47Å; L310-P323 HydrophobicContact CD1-CG 3.65Å; L310-P323 HydrophobicContact CG-CG 4.4Å; F321-P323 HydrophobicContact CD1-CG 4Å; F321-P323 HydrophobicContact CE1-CG 4.09Å; P323-Y325 HydrophobicContact CB-CE2 3.77Å
324	Y	96.5	Very high	92.2	Very high	35 Å²	35	30 Å²	30	14%	0.137	17%	0.172	C	C	.	.			trans	-144	125	177.6	-172.8	-84	0	0	0	108.2	G299 M300 G326 A344 F345 F348	G299-Y324 PolarHBondContact O-N 3.12Å; M300-Y324 WeakPolarHBondContact CB-O 3.4Å; M300-Y324 VanDerWaalsContact CG-O 3.3Å; M300-Y324 WeakPolarHBondContact CG-O 3.37Å; Y324-G326 WeakPolarHBondContact CE1-O 3.34Å; Y324-G326 PolarHBondContact OH-O 2.78Å; Y324-A344 HydrophobicContact CE1-CB 4.02Å; Y324-F345 HydrophobicContact CD1-CB 4.3Å; Y324-F345 AromaticContact CD1-CD2 3.83Å; Y324-F345 HydrophobicContact CD1-CD2 3.83Å; Y324-F345 HydrophobicContact CG-CD2 4.26Å; Y324-F348 HydrophobicContact CD1-CB 4.37Å; Y324-F348 HydrophobicContact CD1-CD1 4.18Å; Y324-F348 HydrophobicContact CD1-CG 4.37Å; Y324-F348 HydrophobicContact CD2-CB 4.18Å; Y324-F348 AromaticContact CD2-CD1 3.73Å; Y324-F348 HydrophobicContact CD2-CD1 3.73Å; Y324-F348 AromaticContact CD2-CD2 3.78Å; Y324-F348 HydrophobicContact CD2-CD2 3.78Å; Y324-F348 HydrophobicContact CD2-CE1 4.03Å; Y324-F348 HydrophobicContact CD2-CE2 4.1Å; Y324-F348 AromaticContact CD2-CG 3.6Å; Y324-F348 HydrophobicContact CD2-CG 3.6Å; Y324-F348 HydrophobicContact CD2-CZ 4.22Å; Y324-F348 HydrophobicContact CE1-CB 4.12Å; Y324-F348 HydrophobicContact CE2-CB 3.92Å; Y324-F348 HydrophobicContact CE2-CD1 4.33Å; Y324-F348 AromaticContact CE2-CD2 3.86Å; Y324-F348 HydrophobicContact CE2-CD2 3.86Å; Y324-F348 AromaticContact CE2-CG 3.76Å; Y324-F348 HydrophobicContact CE2-CG 3.76Å; Y324-F348 HydrophobicContact CG-CB 4.39Å; Y324-F348 AromaticContact CG-CD1 3.63Å; Y324-F348 HydrophobicContact CG-CD1 3.63Å; Y324-F348 HydrophobicContact CG-CE1 4.02Å; Y324-F348 AromaticContact CG-CG 3.92Å; Y324-F348 HydrophobicContact CG-CG 3.92Å
325	Y	96.8	Very high	92.8	Very high	17 Å²	17	28.6 Å²	28.6	7%	0.067	17%	0.168	C	C	.	.			trans	-104.7	25.4	-166.8	-61.2	-90.1	0	0	0	113.2	T301 K303 D307 P323 G329 I330 G332 D333 G334	T301-Y325 HydrophobicContact CG2-CE1 4.45Å; T301-Y325 VanDerWaalsContact O-CD1 3.23Å; T301-Y325 WeakPolarHBondContact O-CD1 3.32Å; T301-Y325 WeakPolarHBondContact O-CE1 3.09Å; K303-Y325 HydrophobicContact CD-CD1 4.27Å; K303-Y325 HydrophobicContact CG-CD1 3.55Å; K303-Y325 HydrophobicContact CG-CE1 3.63Å; K303-Y325 HydrophobicContact CG-CG 4.26Å; D307-Y325 VanDerWaalsContact CG-OH 3.3Å; D307-Y325 VanDerWaalsContact OD1-CE1 3.28Å; D307-Y325 WeakPolarHBondContact OD1-CE1 3.41Å; D307-Y325 PolarHBondContact OD1-OH 2.93Å; D307-Y325 PolarHBondContact OD2-OH 3Å; P323-Y325 HydrophobicContact CB-CE2 3.77Å; Y325-G329 WeakPolarHBondContact CA-O 3.48Å; Y325-G329 WeakPolarHBondContact CB-O 3.16Å; Y325-G329 PolarHBondContact N-O 2.85Å; Y325-I330 HydrophobicContact CD2-CD1 4.22Å; Y325-I330 HydrophobicContact CE2-CD1 3.94Å; Y325-G332 VanDerWaalsContact CB-O 3.31Å; Y325-G332 WeakPolarHBondContact CB-O 3.3Å; Y325-G332 CarbonylContact O-C 3.48Å; Y325-G332 WeakPolarHBondContact O-CA 3.47Å; Y325-D333 PolarHBondContact O-N 3.16Å; Y325-G334 WeakPolarHBondContact O-CA 3.05Å; Y325-G334 PolarHBondContact O-N 2.98Å
326	G	94.5	Very high	93.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.159	C	C	.	.	S	Bend	trans	88.4	-137	177.9	0	0	0	0	0	113.3	Y324 G328 G329 N341	Y324-G326 WeakPolarHBondContact CE1-O 3.34Å; Y324-G326 PolarHBondContact OH-O 2.78Å; G326-G328 PolarHBondContact O-N 2.92Å; G326-G329 WeakPolarHBondContact O-CA 3.43Å; G326-G329 PolarHBondContact O-N 3.12Å; G326-N341 WeakPolarHBondContact CA-OD1 3.33Å
327	E	92.6	Very high	94.2	Very high	119 Å²	119	27.5 Å²	27.5	56%	0.556	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	132.4	-179.8	-171.8	176.2	-131.9	0	0	110.9	G329 G332 E340 N341	E327-G329 VanDerWaalsContact C-N 3.29Å; E327-G332 WeakPolarHBondContact O-CA 3.42Å; E327-E340 HydrophobicContact CB-CG 4.45Å; E327-N341 PolarHBondContact N-OD1 2.85Å
328	G	88	Confident	94.6	Very high	56 Å²	56	31.1 Å²	31.1	58%	0.577	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.6	1.3	-170.7	0	0	0	0	0	114.9	G326 I330 D331	G326-G328 PolarHBondContact O-N 2.92Å; G328-I330 PolarHBondContact O-N 3.28Å; G328-I330 VanDerWaalsContact O-N 3.12Å; G328-D331 PolarHBondContact O-N 3.19Å
329	G	91.1	Very high	95	Very high	8 Å²	8	32 Å²	32	8%	0.082	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	67	-107.4	172.2	0	0	0	0	0	112.9	Y325 G326 E327 D331	Y325-G329 WeakPolarHBondContact CA-O 3.48Å; Y325-G329 WeakPolarHBondContact CB-O 3.16Å; Y325-G329 PolarHBondContact N-O 2.85Å; G326-G329 WeakPolarHBondContact O-CA 3.43Å; G326-G329 PolarHBondContact O-N 3.12Å; E327-G329 VanDerWaalsContact C-N 3.29Å; G329-D331 PolarHBondContact O-N 3.04Å
330	I	88.5	Confident	95.2	Very high	58 Å²	58	35.1 Å²	35.1	30%	0.297	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-22.2	178.5	-159.7	66.9	0	0	0	112.3	K303 Y325 G328	K303-I330 WeakPolarHBondContact CE-O 3.46Å; K303-I330 PolarHBondContact NZ-O 3.35Å; Y325-I330 HydrophobicContact CD2-CD1 4.22Å; Y325-I330 HydrophobicContact CE2-CD1 3.94Å; G328-I330 PolarHBondContact O-N 3.28Å; G328-I330 VanDerWaalsContact O-N 3.12Å
331	D	89.6	Confident	95.3	Very high	136 Å²	136	35.1 Å²	35.1	73%	0.727	19%	0.192	S	C	*	.	S	Bend	trans	-91.7	-13.6	-174.7	-68.2	-41.8	0	0	0	114.1	K303 G328 G329	K303-D331 VanDerWaalsContact NZ-C 3.29Å; K303-D331 PolarHBondContact NZ-O 2.93Å; G328-D331 PolarHBondContact O-N 3.19Å; G329-D331 PolarHBondContact O-N 3.04Å
332	G	94.6	Very high	95.4	Very high	11 Å²	11	35.1 Å²	35.1	11%	0.113	19%	0.193	C	C	.	.	S	Bend	trans	-62.9	176.2	178.1	0	0	0	0	0	114.9	K303 Y325 E327	K303-G332 VanDerWaalsContact CD-O 3.26Å; K303-G332 WeakPolarHBondContact CD-O 3.38Å; K303-G332 WeakPolarHBondContact CE-O 2.91Å; K303-G332 PolarHBondContact NZ-O 3.23Å; Y325-G332 VanDerWaalsContact CB-O 3.31Å; Y325-G332 WeakPolarHBondContact CB-O 3.3Å; Y325-G332 CarbonylContact O-C 3.48Å; Y325-G332 WeakPolarHBondContact O-CA 3.47Å; E327-G332 WeakPolarHBondContact O-CA 3.42Å
333	D	95.9	Very high	95.5	Very high	55 Å²	55	37.2 Å²	37.2	29%	0.294	21%	0.207	S	C	.	.			trans	-91.5	-20.6	-177	56.2	18.1	0	0	0	114.4	K303 Y325 D335 R338 N341	K303-D333 PolarHBondContact N-O 2.94Å; Y325-D333 PolarHBondContact O-N 3.16Å; D333-D335 VanDerWaalsContact C-N 3.34Å; D333-D335 PolarHBondContact OD1-N 3.24Å; D333-R338 IonicContact OD1-NH1 3.87Å; D333-R338 IonicContact OD2-CZ 3.9Å; D333-R338 IonicContact OD2-NH1 2.02Å; D333-R338 PolarHBondContact OD2-NH1 3.46Å; D333-N341 PolarHBondContact OD1-ND2 3.15Å
334	G	96.9	Very high	95.6	Very high	2 Å²	2	37.3 Å²	37.3	2%	0.021	21%	0.209	C	C	.	.			trans	77.6	14.8	-176.1	0	0	0	0	0	114.6	T301 Y325 I336	T301-G334 WeakPolarHBondContact O-CA 3.45Å; Y325-G334 WeakPolarHBondContact O-CA 3.05Å; Y325-G334 PolarHBondContact O-N 2.98Å; G334-I336 PolarHBondContact O-N 2.84Å; G334-I336 VanDerWaalsContact O-N 3.13Å
335	D	97.6	Very high	95.7	Very high	33 Å²	33	35.6 Å²	35.6	18%	0.176	20%	0.203	C	C	.	.			trans	-72	103.6	176.4	-174.5	-6.4	0	0	0	110.6	L302 D333 T337 R338 N341	L302-D335 HydrophobicContact CD2-CB 3.74Å; D333-D335 VanDerWaalsContact C-N 3.34Å; D333-D335 PolarHBondContact OD1-N 3.24Å; D335-T337 PolarHBondContact O-N 3.35Å; D335-T337 VanDerWaalsContact O-N 3.13Å; D335-T337 WeakPolarHBondContact OD1-CB 3.25Å; D335-T337 PolarHBondContact OD1-N 3.42Å; D335-T337 PolarHBondContact OD1-OG1 3.24Å; D335-T337 PolarHBondContact OD2-OG1 3.39Å; D335-T337 VanDerWaalsContact OD2-OG1 3.11Å; D335-R338 HydrophobicContact CB-CG 4.01Å; D335-R338 PolarHBondContact O-N 3.03Å; D335-N341 PolarHBondContact N-ND2 2.86Å; D335-N341 WeakPolarHBondContact O-CB 3.47Å; D335-N341 PolarHBondContact O-ND2 2.74Å
336	I	98.3	Very high	95.8	Very high	3 Å²	3	38 Å²	38	2%	0.015	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-15.7	177.8	-162	167.5	0	0	0	113.2	V276 M300 G334 R338 I342 L383 C386 Q387 M390	V276-I336 HydrophobicContact CB-CD1 4.08Å; V276-I336 HydrophobicContact CG2-CD1 3.96Å; M300-I336 HydrophobicContact CE-CB 4.13Å; M300-I336 HydrophobicContact CE-CD1 4.32Å; M300-I336 HydrophobicContact CE-CG1 3.82Å; G334-I336 PolarHBondContact O-N 2.84Å; G334-I336 VanDerWaalsContact O-N 3.13Å; I336-R338 VanDerWaalsContact C-N 3.34Å; I336-I342 VanDerWaalsContact O-CD1 3.26Å; I336-I342 WeakPolarHBondContact O-CD1 3.42Å; I336-I342 WeakPolarHBondContact O-CG1 3.12Å; I336-L383 HydrophobicContact CG2-CD1 3.58Å; I336-C386 HydrophobicContact CG1-CB 4.22Å; I336-C386 HydrophobicContact CG2-CB 4.15Å; I336-Q387 HydrophobicContact CD1-CG 4.24Å; I336-M390 HydrophobicContact CD1-CB 4.31Å; I336-M390 HydrophobicContact CD1-CE 4.43Å; I336-M390 HydrophobicContact CG1-CE 4.27Å
337	T	98.3	Very high	96	Very high	11 Å²	11	41.3 Å²	41.3	7%	0.067	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-13.2	-179.9	70.6	0	0	0	0	113.5	D335 Q382 N464 N468 R471	D335-T337 PolarHBondContact O-N 3.35Å; D335-T337 VanDerWaalsContact O-N 3.13Å; D335-T337 WeakPolarHBondContact OD1-CB 3.25Å; D335-T337 PolarHBondContact OD1-N 3.42Å; D335-T337 PolarHBondContact OD1-OG1 3.24Å; D335-T337 PolarHBondContact OD2-OG1 3.39Å; D335-T337 VanDerWaalsContact OD2-OG1 3.11Å; T337-Q382 HydrophobicContact CG2-CG 4.2Å; T337-N464 PolarHBondContact O-ND2 3.14Å; T337-N464 PolarHBondContact O-OD1 3.4Å; T337-N468 PolarHBondContact O-ND2 3.22Å; T337-R471 VanDerWaalsContact CB-NH2 3.31Å; T337-R471 PolarHBondContact OG1-NH2 3.19Å
338	R	98.6	Very high	96.3	Very high	79 Å²	79	36.4 Å²	36.4	30%	0.298	21%	0.206	S	C	.	.	S	Bend	trans	-82	121.2	178.6	-67.1	-177.9	65.8	-167.6	-8.3	111.2	D333 D335 I336 E340 N341 I342	D333-R338 IonicContact OD1-NH1 3.87Å; D333-R338 IonicContact OD2-CZ 3.9Å; D333-R338 IonicContact OD2-NH1 2.02Å; D333-R338 PolarHBondContact OD2-NH1 3.46Å; D335-R338 HydrophobicContact CB-CG 4.01Å; D335-R338 PolarHBondContact O-N 3.03Å; I336-R338 VanDerWaalsContact C-N 3.34Å; R338-E340 HydrophobicContact CB-CG 4.18Å; R338-E340 IonicContact CZ-OE1 2.87Å; R338-E340 IonicContact NE-OE1 3.2Å; R338-E340 PolarHBondContact NE-OE1 3.38Å; R338-E340 IonicContact NH2-OE1 3.85Å; R338-E340 PolarHBondContact NH2-OE1 3.46Å; R338-E340 PolarHBondContact O-N 3.07Å; R338-N341 HydrophobicContact CB-CB 4.11Å; R338-N341 WeakPolarHBondContact O-CB 3.35Å; R338-N341 PolarHBondContact O-N 2.78Å; R338-I342 PolarHBondContact O-N 2.88Å
339	P	98.6	Very high	96.8	Very high	26 Å²	26	33.7 Å²	33.7	17%	0.169	18%	0.179	C	C	.	.	H	α-helix	trans	-52.2	-37.2	179.5	-29	35.8	0	0	0	114.9	S343 F461 I465	P339-S343 WeakPolarHBondContact O-CB 3.48Å; P339-S343 PolarHBondContact O-N 2.92Å; P339-S343 PolarHBondContact O-OG 2.6Å; P339-F461 HydrophobicContact CB-CE1 4.29Å; P339-F461 HydrophobicContact CB-CE2 4.17Å; P339-F461 HydrophobicContact CB-CZ 3.68Å; P339-I465 HydrophobicContact CB-CG1 4.32Å; P339-I465 HydrophobicContact CG-CG1 3.71Å
340	E	98.2	Very high	97.1	Very high	70 Å²	70	34 Å²	34	33%	0.327	18%	0.178	S	C	.	.	H	α-helix	trans	-64	-41.3	175.8	56.6	-87.2	-148.9	0	0	112.3	E327 R338 S343 A344	E327-E340 HydrophobicContact CB-CG 4.45Å; R338-E340 HydrophobicContact CB-CG 4.18Å; R338-E340 IonicContact CZ-OE1 2.87Å; R338-E340 IonicContact NE-OE1 3.2Å; R338-E340 PolarHBondContact NE-OE1 3.38Å; R338-E340 IonicContact NH2-OE1 3.85Å; R338-E340 PolarHBondContact NH2-OE1 3.46Å; R338-E340 PolarHBondContact O-N 3.07Å; E340-S343 PolarHBondContact O-N 2.81Å; E340-A344 VanDerWaalsContact O-CB 3.24Å; E340-A344 WeakPolarHBondContact O-CB 3.23Å; E340-A344 PolarHBondContact O-N 2.8Å
341	N	98.5	Very high	97.5	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-70.7	-41.6	177.1	-72.1	-13	0	0	0	111.6	M300 G326 E327 D333 D335 R338 S343 A344 F345	M300-N341 HydrophobicContact SD-CB 4.5Å; G326-N341 WeakPolarHBondContact CA-OD1 3.33Å; E327-N341 PolarHBondContact N-OD1 2.85Å; D333-N341 PolarHBondContact OD1-ND2 3.15Å; D335-N341 PolarHBondContact N-ND2 2.86Å; D335-N341 WeakPolarHBondContact O-CB 3.47Å; D335-N341 PolarHBondContact O-ND2 2.74Å; R338-N341 HydrophobicContact CB-CB 4.11Å; R338-N341 WeakPolarHBondContact O-CB 3.35Å; R338-N341 PolarHBondContact O-N 2.78Å; N341-S343 VanDerWaalsContact C-N 3.31Å; N341-S343 PolarHBondContact O-N 3.1Å; N341-A344 PolarHBondContact O-N 3.4Å; N341-F345 WeakPolarHBondContact O-CB 3.26Å; N341-F345 PolarHBondContact O-N 2.89Å
342	I	98.7	Very high	97.9	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-56.1	-49.9	173.4	-65.6	162	0	0	0	109.6	I336 R338 R346 L389 M390 F461 N464	I336-I342 VanDerWaalsContact O-CD1 3.26Å; I336-I342 WeakPolarHBondContact O-CD1 3.42Å; I336-I342 WeakPolarHBondContact O-CG1 3.12Å; R338-I342 PolarHBondContact O-N 2.88Å; I342-R346 VanDerWaalsContact O-CB 3.24Å; I342-R346 WeakPolarHBondContact O-CB 3.39Å; I342-R346 PolarHBondContact O-N 2.92Å; I342-L389 HydrophobicContact CD1-CD2 3.89Å; I342-M390 HydrophobicContact CB-CE 4.3Å; I342-M390 HydrophobicContact CG1-CE 4.28Å; I342-M390 HydrophobicContact CG2-CE 4.07Å; I342-F461 HydrophobicContact CB-CE2 4.3Å; I342-F461 HydrophobicContact CG2-CD2 4.23Å; I342-F461 HydrophobicContact CG2-CE2 4.06Å; I342-N464 WeakPolarHBondContact CD1-ND2 3.16Å
343	S	98.6	Very high	98	Very high	45 Å²	45	30.6 Å²	30.6	32%	0.315	16%	0.158	S	C	.	.	H	α-helix	trans	-64.9	-43.2	-179.1	-57.3	0	0	0	0	112.5	P339 E340 N341 N347	P339-S343 WeakPolarHBondContact O-CB 3.48Å; P339-S343 PolarHBondContact O-N 2.92Å; P339-S343 PolarHBondContact O-OG 2.6Å; E340-S343 PolarHBondContact O-N 2.81Å; N341-S343 VanDerWaalsContact C-N 3.31Å; N341-S343 PolarHBondContact O-N 3.1Å; S343-N347 WeakPolarHBondContact O-CB 3.3Å; S343-N347 VanDerWaalsContact O-CG 3.3Å; S343-N347 PolarHBondContact O-N 3.04Å; S343-N347 PolarHBondContact O-ND2 3.15Å
344	A	98.4	Very high	97.9	Very high	18 Å²	18	32.6 Å²	32.6	15%	0.149	17%	0.169	C	C	.	.	H	α-helix	trans	-65.3	-48.2	179	0	0	0	0	0	112	Y324 E340 N341 N347 F348	Y324-A344 HydrophobicContact CE1-CB 4.02Å; E340-A344 VanDerWaalsContact O-CB 3.24Å; E340-A344 WeakPolarHBondContact O-CB 3.23Å; E340-A344 PolarHBondContact O-N 2.8Å; N341-A344 PolarHBondContact O-N 3.4Å; A344-N347 PolarHBondContact O-N 2.57Å; A344-F348 WeakPolarHBondContact O-CB 3.13Å; A344-F348 PolarHBondContact O-N 3.4Å
345	F	98.6	Very high	98	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-65.6	-39.1	177.6	-172.1	-114.3	0	0	0	111.7	V276 F298 M300 Y324 N341 N347 F348 V349 M390 I394	V276-F345 HydrophobicContact CG1-CD1 4.49Å; V276-F345 HydrophobicContact CG1-CE1 3.68Å; V276-F345 HydrophobicContact CG1-CZ 4.2Å; F298-F345 HydrophobicContact CB-CE2 4.25Å; F298-F345 HydrophobicContact CB-CZ 4.14Å; M300-F345 HydrophobicContact CB-CD1 4.35Å; M300-F345 HydrophobicContact CB-CD2 3.98Å; M300-F345 HydrophobicContact CB-CE1 4.27Å; M300-F345 HydrophobicContact CB-CE2 3.89Å; M300-F345 HydrophobicContact CB-CG 4.2Å; M300-F345 HydrophobicContact CB-CZ 4.04Å; M300-F345 HydrophobicContact CE-CB 3.93Å; M300-F345 HydrophobicContact CE-CD1 3.98Å; M300-F345 HydrophobicContact CE-CG 4.01Å; M300-F345 HydrophobicContact SD-CB 3.8Å; M300-F345 HydrophobicContact SD-CD2 4.37Å; M300-F345 HydrophobicContact SD-CG 4.01Å; Y324-F345 HydrophobicContact CD1-CB 4.3Å; Y324-F345 AromaticContact CD1-CD2 3.83Å; Y324-F345 HydrophobicContact CD1-CD2 3.83Å; Y324-F345 HydrophobicContact CG-CD2 4.26Å; N341-F345 WeakPolarHBondContact O-CB 3.26Å; N341-F345 PolarHBondContact O-N 2.89Å; F345-N347 PolarHBondContact O-N 3.46Å; F345-F348 HydrophobicContact CD2-CD1 4.1Å; F345-F348 HydrophobicContact CE2-CD1 4.25Å; F345-F348 PolarHBondContact O-N 2.84Å; F345-V349 HydrophobicContact CD1-CG2 4.28Å; F345-V349 HydrophobicContact CD2-CG2 4.32Å; F345-V349 HydrophobicContact CE1-CG2 3.97Å; F345-V349 HydrophobicContact CE2-CG2 4.02Å; F345-V349 HydrophobicContact CG-CG2 4.46Å; F345-V349 HydrophobicContact CZ-CG2 3.84Å; F345-V349 WeakPolarHBondContact O-CG2 3.27Å; F345-V349 PolarHBondContact O-N 3.22Å; F345-M390 HydrophobicContact CD1-CE 3.92Å; F345-M390 HydrophobicContact CD1-SD 3.71Å; F345-M390 HydrophobicContact CE1-SD 4.26Å; F345-I394 HydrophobicContact CD1-CD1 4.29Å; F345-I394 HydrophobicContact CE1-CD1 3.74Å
346	R	98.7	Very high	98	Very high	67 Å²	67	44 Å²	44	25%	0.253	21%	0.212	S	C	.	.	H	α-helix	trans	-55.6	-52.4	172.2	176.5	179.6	-174.8	-104	11.7	112	I342 V349 L350 S393 I394	I342-R346 VanDerWaalsContact O-CB 3.24Å; I342-R346 WeakPolarHBondContact O-CB 3.39Å; I342-R346 PolarHBondContact O-N 2.92Å; R346-V349 PolarHBondContact O-N 3.05Å; R346-L350 HydrophobicContact CG-CD1 3.85Å; R346-L350 HydrophobicContact CG-CG 4.46Å; R346-L350 WeakPolarHBondContact O-CB 3.47Å; R346-L350 VanDerWaalsContact O-CG 3.3Å; R346-L350 WeakPolarHBondContact O-CG 3.38Å; R346-L350 PolarHBondContact O-N 3.18Å; R346-S393 WeakPolarHBondContact CG-O 3.41Å; R346-S393 PolarHBondContact NE-O 3.31Å; R346-I394 HydrophobicContact CB-CG2 3.99Å; R346-I394 HydrophobicContact CG-CG2 4.07Å
347	N	98.4	Very high	98	Very high	70 Å²	70	43.9 Å²	43.9	37%	0.374	21%	0.212	S	C	.	.	H	α-helix	trans	-62.5	-45.9	-179.3	-71.8	-28.6	0	0	0	111.4	S343 A344 F345 V349 L350 D351	S343-N347 WeakPolarHBondContact O-CB 3.3Å; S343-N347 VanDerWaalsContact O-CG 3.3Å; S343-N347 PolarHBondContact O-N 3.04Å; S343-N347 PolarHBondContact O-ND2 3.15Å; A344-N347 PolarHBondContact O-N 2.57Å; F345-N347 PolarHBondContact O-N 3.46Å; N347-V349 PolarHBondContact O-N 3.37Å; N347-L350 PolarHBondContact O-N 3.26Å; N347-D351 WeakPolarHBondContact O-CB 3.27Å; N347-D351 VanDerWaalsContact O-CG 3.24Å; N347-D351 PolarHBondContact O-N 2.92Å
348	F	98.2	Very high	98	Very high	15 Å²	15	43.3 Å²	43.3	7%	0.066	21%	0.208	C	C	.	.	H	α-helix	trans	-55.8	-47.6	175.8	168.8	-110.1	0	0	0	112.7	F298 E322 Y324 A344 F345 N352	F298-F348 HydrophobicContact CB-CE1 4.3Å; F298-F348 AromaticContact CD1-CE1 3.66Å; F298-F348 HydrophobicContact CD1-CE1 3.66Å; F298-F348 AromaticContact CD1-CZ 3.86Å; F298-F348 HydrophobicContact CD1-CZ 3.86Å; F298-F348 HydrophobicContact CE1-CE1 4.44Å; F298-F348 HydrophobicContact CE1-CZ 4.3Å; F298-F348 HydrophobicContact CG-CE1 4.34Å; E322-F348 HydrophobicContact CB-CZ 4.43Å; E322-F348 HydrophobicContact CG-CZ 3.84Å; Y324-F348 HydrophobicContact CD1-CB 4.37Å; Y324-F348 HydrophobicContact CD1-CD1 4.18Å; Y324-F348 HydrophobicContact CD1-CG 4.37Å; Y324-F348 HydrophobicContact CD2-CB 4.18Å; Y324-F348 AromaticContact CD2-CD1 3.73Å; Y324-F348 HydrophobicContact CD2-CD1 3.73Å; Y324-F348 AromaticContact CD2-CD2 3.78Å; Y324-F348 HydrophobicContact CD2-CD2 3.78Å; Y324-F348 HydrophobicContact CD2-CE1 4.03Å; Y324-F348 HydrophobicContact CD2-CE2 4.1Å; Y324-F348 AromaticContact CD2-CG 3.6Å; Y324-F348 HydrophobicContact CD2-CG 3.6Å; Y324-F348 HydrophobicContact CD2-CZ 4.22Å; Y324-F348 HydrophobicContact CE1-CB 4.12Å; Y324-F348 HydrophobicContact CE2-CB 3.92Å; Y324-F348 HydrophobicContact CE2-CD1 4.33Å; Y324-F348 AromaticContact CE2-CD2 3.86Å; Y324-F348 HydrophobicContact CE2-CD2 3.86Å; Y324-F348 AromaticContact CE2-CG 3.76Å; Y324-F348 HydrophobicContact CE2-CG 3.76Å; Y324-F348 HydrophobicContact CG-CB 4.39Å; Y324-F348 AromaticContact CG-CD1 3.63Å; Y324-F348 HydrophobicContact CG-CD1 3.63Å; Y324-F348 HydrophobicContact CG-CE1 4.02Å; Y324-F348 AromaticContact CG-CG 3.92Å; Y324-F348 HydrophobicContact CG-CG 3.92Å; A344-F348 WeakPolarHBondContact O-CB 3.13Å; A344-F348 PolarHBondContact O-N 3.4Å; F345-F348 HydrophobicContact CD2-CD1 4.1Å; F345-F348 HydrophobicContact CE2-CD1 4.25Å; F345-F348 PolarHBondContact O-N 2.84Å; F348-N352 WeakPolarHBondContact CD2-ND2 2.77Å; F348-N352 VanDerWaalsContact CE2-ND2 3.35Å; F348-N352 WeakPolarHBondContact CE2-ND2 3.31Å; F348-N352 PolarHBondContact O-N 3.48Å; F348-N352 PolarHBondContact O-ND2 3.28Å
349	V	98.5	Very high	98	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-65.4	-44.5	178.6	171.9	0	0	0	0	111.3	F298 F345 R346 N347 D351 N352 T353 V358 I394	F298-V349 HydrophobicContact CB-CG2 3.99Å; F298-V349 HydrophobicContact CD2-CG1 4.3Å; F298-V349 HydrophobicContact CD2-CG2 4.3Å; F298-V349 HydrophobicContact CG-CG2 4.16Å; F345-V349 HydrophobicContact CD1-CG2 4.28Å; F345-V349 HydrophobicContact CD2-CG2 4.32Å; F345-V349 HydrophobicContact CE1-CG2 3.97Å; F345-V349 HydrophobicContact CE2-CG2 4.02Å; F345-V349 HydrophobicContact CG-CG2 4.46Å; F345-V349 HydrophobicContact CZ-CG2 3.84Å; F345-V349 WeakPolarHBondContact O-CG2 3.27Å; F345-V349 PolarHBondContact O-N 3.22Å; R346-V349 PolarHBondContact O-N 3.05Å; N347-V349 PolarHBondContact O-N 3.37Å; V349-D351 PolarHBondContact O-N 3.36Å; V349-N352 PolarHBondContact O-N 3.11Å; V349-T353 HydrophobicContact CG1-CG2 4.23Å; V349-T353 WeakPolarHBondContact O-CB 3.31Å; V349-T353 VanDerWaalsContact O-CG2 3.28Å; V349-T353 WeakPolarHBondContact O-CG2 3.18Å; V349-T353 PolarHBondContact O-N 2.86Å; V349-T353 VanDerWaalsContact O-N 3.13Å; V349-T353 PolarHBondContact O-OG1 3.31Å; V349-V358 HydrophobicContact CG1-CG1 3.73Å; V349-I394 HydrophobicContact CB-CB 4.38Å; V349-I394 HydrophobicContact CB-CG2 4.22Å; V349-I394 HydrophobicContact CG1-CB 4.01Å; V349-I394 HydrophobicContact CG1-CD1 4.32Å; V349-I394 HydrophobicContact CG1-CG2 4.39Å; V349-I394 HydrophobicContact CG2-CD1 4.18Å
350	L	98.4	Very high	98	Very high	14 Å²	14	38.7 Å²	38.7	7%	0.073	19%	0.188	C	C	.	.	H	α-helix	trans	-63.5	-42.6	179.9	-69.5	174.3	0	0	0	112.1	R346 N347 N352 T353 R355	R346-L350 HydrophobicContact CG-CD1 3.85Å; R346-L350 HydrophobicContact CG-CG 4.46Å; R346-L350 WeakPolarHBondContact O-CB 3.47Å; R346-L350 VanDerWaalsContact O-CG 3.3Å; R346-L350 WeakPolarHBondContact O-CG 3.38Å; R346-L350 PolarHBondContact O-N 3.18Å; N347-L350 PolarHBondContact O-N 3.26Å; L350-N352 PolarHBondContact O-N 2.76Å; L350-T353 WeakPolarHBondContact CA-OG1 3.47Å; L350-T353 PolarHBondContact O-N 3.32Å; L350-T353 PolarHBondContact O-OG1 3.1Å; L350-R355 WeakPolarHBondContact O-CA 3.25Å; L350-R355 PolarHBondContact O-N 2.8Å
351	D	97.1	Very high	98.1	Very high	101 Å²	101	35.3 Å²	35.3	54%	0.54	17%	0.172	S	C	.	.	H	α-helix	trans	-64.3	-26.7	178.7	-69	-17.7	0	0	0	112.8	N347 V349 R355	N347-D351 WeakPolarHBondContact O-CB 3.27Å; N347-D351 VanDerWaalsContact O-CG 3.24Å; N347-D351 PolarHBondContact O-N 2.92Å; V349-D351 PolarHBondContact O-N 3.36Å; D351-R355 IonicContact OD1-CZ 2.68Å; D351-R355 IonicContact OD1-NE 3.01Å; D351-R355 IonicContact OD1-NH1 3.79Å; D351-R355 PolarHBondContact OD1-NH1 2.93Å
352	N	96.3	Very high	98.1	Very high	33 Å²	33	35.3 Å²	35.3	18%	0.176	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	1.3	179.6	-70.9	-77.6	0	0	0	114.6	Y272 F298 F348 V349 L350 P693	Y272-N352 WeakPolarHBondContact CE1-O 3.16Å; F298-N352 HydrophobicContact CE1-CB 3.65Å; F298-N352 HydrophobicContact CZ-CB 3.66Å; F348-N352 WeakPolarHBondContact CD2-ND2 2.77Å; F348-N352 VanDerWaalsContact CE2-ND2 3.35Å; F348-N352 WeakPolarHBondContact CE2-ND2 3.31Å; F348-N352 PolarHBondContact O-N 3.48Å; F348-N352 PolarHBondContact O-ND2 3.28Å; V349-N352 PolarHBondContact O-N 3.11Å; L350-N352 PolarHBondContact O-N 2.76Å; N352-P693 VanDerWaalsContact OD1-CG 3.24Å; N352-P693 WeakPolarHBondContact OD1-CG 3.44Å
353	T	96.6	Very high	98.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.1	29.7	-179.1	55	0	0	0	0	112.6	Y272 F298 V349 L350 R355 K356 G357 V358	Y272-T353 HydrophobicContact CD1-CG2 3.83Å; Y272-T353 HydrophobicContact CD2-CG2 4.32Å; Y272-T353 HydrophobicContact CE1-CG2 4.38Å; Y272-T353 HydrophobicContact CG-CG2 3.78Å; F298-T353 HydrophobicContact CE2-CG2 3.62Å; F298-T353 HydrophobicContact CZ-CG2 4.06Å; V349-T353 HydrophobicContact CG1-CG2 4.23Å; V349-T353 WeakPolarHBondContact O-CB 3.31Å; V349-T353 VanDerWaalsContact O-CG2 3.28Å; V349-T353 WeakPolarHBondContact O-CG2 3.18Å; V349-T353 PolarHBondContact O-N 2.86Å; V349-T353 VanDerWaalsContact O-N 3.13Å; V349-T353 PolarHBondContact O-OG1 3.31Å; L350-T353 WeakPolarHBondContact CA-OG1 3.47Å; L350-T353 PolarHBondContact O-N 3.32Å; L350-T353 PolarHBondContact O-OG1 3.1Å; T353-R355 PolarHBondContact O-N 3.03Å; T353-K356 WeakPolarHBondContact O-CB 3.44Å; T353-K356 PolarHBondContact O-N 2.8Å; T353-G357 WeakPolarHBondContact CB-O 3.1Å; T353-G357 VanDerWaalsContact OG1-CA 3.28Å; T353-G357 WeakPolarHBondContact OG1-CA 3.47Å; T353-G357 PolarHBondContact OG1-N 2.99Å; T353-V358 HydrophobicContact CG2-CG1 4.34Å
354	D	95.6	Very high	97.8	Very high	97 Å²	97	34.4 Å²	34.4	52%	0.519	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	55	36	-178.5	-46.2	-39.8	0	0	0	112.1	K356 K688	D354-K356 PolarHBondContact O-N 3.4Å; D354-K688 IonicContact OD1-NZ 3.23Å; D354-K688 PolarHBondContact OD1-NZ 3.1Å; D354-K688 IonicContact OD2-NZ 2.75Å; D354-K688 PolarHBondContact OD2-NZ 2.84Å
355	R	97.7	Very high	97.2	Very high	137 Å²	137	33.7 Å²	33.7	52%	0.517	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.2	13	-174.6	-57.4	-62.8	-58.3	178.7	3.7	115.7	L350 D351 T353	L350-R355 WeakPolarHBondContact O-CA 3.25Å; L350-R355 PolarHBondContact O-N 2.8Å; D351-R355 IonicContact OD1-CZ 2.68Å; D351-R355 IonicContact OD1-NE 3.01Å; D351-R355 IonicContact OD1-NH1 3.79Å; D351-R355 PolarHBondContact OD1-NH1 2.93Å; T353-R355 PolarHBondContact O-N 3.03Å
356	K	97.3	Very high	96.6	Very high	137 Å²	137	34.8 Å²	34.8	60%	0.596	17%	0.17	S	C	*	.	S	Bend	trans	-91.1	-27.3	-179.7	-63.3	177.9	-178.5	178.3	0	114.6	T353 D354 R396	T353-K356 WeakPolarHBondContact O-CB 3.44Å; T353-K356 PolarHBondContact O-N 2.8Å; D354-K356 PolarHBondContact O-N 3.4Å; K356-R396 VanDerWaalsContact O-CA 3.31Å; K356-R396 WeakPolarHBondContact O-CA 3.1Å; K356-R396 WeakPolarHBondContact O-CB 3.44Å
357	G	98.4	Very high	96	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.166	C	C	.	.			trans	90.6	175.6	-168.8	0	0	0	0	0	113.7	T353 I394 R396	T353-G357 WeakPolarHBondContact CB-O 3.1Å; T353-G357 VanDerWaalsContact OG1-CA 3.28Å; T353-G357 WeakPolarHBondContact OG1-CA 3.47Å; T353-G357 PolarHBondContact OG1-N 2.99Å; G357-I394 CarbonylContact C-O 3.32Å; G357-I394 WeakPolarHBondContact CA-O 3.14Å; G357-R396 PolarHBondContact O-NE 2.88Å; G357-R396 VanDerWaalsContact O-NE 3.1Å; G357-R396 PolarHBondContact O-NH2 3.18Å
358	V	98.8	Very high	95.4	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	157.2	179.7	-68.7	0	0	0	0	112	A274 F298 V349 T353 F360 I394 V395 R396	A274-V358 HydrophobicContact CB-CG1 4.03Å; A274-V358 HydrophobicContact CB-CG2 4.14Å; F298-V358 HydrophobicContact CD2-CG1 3.89Å; F298-V358 HydrophobicContact CE2-CG1 4.18Å; V349-V358 HydrophobicContact CG1-CG1 3.73Å; T353-V358 HydrophobicContact CG2-CG1 4.34Å; V358-F360 VanDerWaalsContact C-N 3.33Å; V358-F360 VanDerWaalsContact CG2-O 3.29Å; V358-F360 WeakPolarHBondContact CG2-O 3.47Å; V358-I394 HydrophobicContact CG2-CD1 4.44Å; V358-I394 HydrophobicContact CG2-CG1 4.23Å; V358-I394 WeakPolarHBondContact CG2-O 3.1Å; V358-I394 PolarHBondContact N-O 3.09Å; V358-V395 HydrophobicContact CG2-CG2 4.23Å; V358-R396 VanDerWaalsContact O-CG 3.25Å; V358-R396 WeakPolarHBondContact O-CG 3.47Å; V358-R396 PolarHBondContact O-N 3.26Å; V358-R396 PolarHBondContact O-NE 3.05Å
359	H	98.8	Very high	95	Very high	7 Å²	7	32 Å²	32	3%	0.032	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	-36.6	172.1	-61.2	84.5	0	0	0	111	P254 V263 L270 L271 Y272 R396 G399 H400	P254-H359 HydrophobicContact CG-CB 4.1Å; V263-H359 WeakPolarHBondContact CG2-NE2 3.45Å; L270-H359 PolarHBondContact O-CE1 3.24Å; L271-H359 HydrophobicContact CD1-CB 4.04Å; Y272-H359 PolarHBondContact N-ND1 2.62Å; Y272-H359 VanDerWaalsContact N-ND1 3.12Å; Y272-H359 WeakPolarHBondContact O-CB 3.31Å; Y272-H359 PolarHBondContact O-N 2.67Å; Y272-H359 PolarHBondContact O-ND1 2.94Å; Y272-H359 VanDerWaalsContact O-ND1 3.1Å; H359-R396 PolarHBondContact CD2-NH1 3.35Å; H359-R396 VanDerWaalsContact CD2-NH1 3.31Å; H359-R396 PolarHBondContact CE1-NH1 3.06Å; H359-R396 VanDerWaalsContact CE1-NH1 3.32Å; H359-R396 PolarHBondContact CE1-NH2 3.39Å; H359-R396 PolarHBondContact NE2-NH1 2.81Å; H359-G399 CarbonylContact O-C 3.52Å; H359-G399 WeakPolarHBondContact O-CA 3.36Å; H359-H400 PolarHBondContact O-N 3.12Å
360	F	98.9	Very high	94.4	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	154.1	172.9	65.7	-81.4	0	0	0	112.5	F251 L271 F273 A274 V287 V358 M362 H400	F251-F360 HydrophobicContact CB-CD1 4.34Å; F251-F360 HydrophobicContact CB-CD2 4.1Å; F251-F360 HydrophobicContact CB-CE1 4.23Å; F251-F360 HydrophobicContact CB-CE2 3.95Å; F251-F360 HydrophobicContact CB-CG 4.29Å; F251-F360 HydrophobicContact CB-CZ 4.02Å; F251-F360 HydrophobicContact CD1-CB 4.18Å; F251-F360 AromaticContact CD1-CD2 3.78Å; F251-F360 HydrophobicContact CD1-CD2 3.78Å; F251-F360 HydrophobicContact CD1-CE2 4.37Å; F251-F360 HydrophobicContact CD1-CG 4.01Å; F251-F360 HydrophobicContact CG-CD2 4.37Å; F251-F360 WeakPolarHBondContact O-CD1 3.48Å; F251-F360 WeakPolarHBondContact O-CE1 3.49Å; L271-F360 HydrophobicContact CD1-CE1 4.15Å; L271-F360 HydrophobicContact CD2-CE1 4.1Å; L271-F360 HydrophobicContact CG-CE1 4.18Å; F273-F360 WeakPolarHBondContact CA-O 3.39Å; F273-F360 HydrophobicContact CB-CD1 4.08Å; F273-F360 HydrophobicContact CB-CD2 4.2Å; F273-F360 HydrophobicContact CB-CE1 3.55Å; F273-F360 HydrophobicContact CB-CE2 3.72Å; F273-F360 HydrophobicContact CB-CG 4.37Å; F273-F360 HydrophobicContact CB-CZ 3.37Å; F273-F360 HydrophobicContact CG-CE1 4.49Å; F273-F360 HydrophobicContact CG-CE2 4.35Å; F273-F360 AromaticContact CG-CZ 3.97Å; F273-F360 HydrophobicContact CG-CZ 3.97Å; A274-F360 PolarHBondContact N-O 3.26Å; V287-F360 HydrophobicContact CG1-CZ 4.01Å; V287-F360 HydrophobicContact CG2-CE2 4.25Å; V287-F360 HydrophobicContact CG2-CZ 4Å; V358-F360 VanDerWaalsContact C-N 3.33Å; V358-F360 VanDerWaalsContact CG2-O 3.29Å; V358-F360 WeakPolarHBondContact CG2-O 3.47Å; F360-M362 HydrophobicContact CD2-CG 3.8Å; F360-M362 HydrophobicContact CD2-SD 4.44Å; F360-M362 HydrophobicContact CE2-CE 4.16Å; F360-M362 HydrophobicContact CE2-CG 3.7Å; F360-M362 HydrophobicContact CE2-SD 3.73Å; F360-H400 WeakPolarHBondContact CA-O 3.41Å; F360-H400 HydrophobicContact CB-CB 4.05Å; F360-H400 WeakPolarHBondContact CB-O 3.37Å
361	L	98.9	Very high	93.7	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	135.7	169.5	171.5	64.3	0	0	0	109.2	A274 V276 M390 A391 I394 V395 H400 F401 I402	A274-L361 HydrophobicContact CB-CD1 3.6Å; V276-L361 HydrophobicContact CB-CD1 4.41Å; V276-L361 HydrophobicContact CG1-CD1 3.85Å; V276-L361 HydrophobicContact CG2-CD1 3.91Å; L361-M390 HydrophobicContact CD2-CB 4.11Å; L361-M390 HydrophobicContact CD2-CG 3.88Å; L361-A391 HydrophobicContact CD2-CB 3.95Å; L361-I394 HydrophobicContact CD1-CD1 4.3Å; L361-V395 HydrophobicContact CB-CG2 3.57Å; L361-H400 PolarHBondContact N-O 3.45Å; L361-H400 VanDerWaalsContact N-O 3.1Å; L361-F401 HydrophobicContact CB-CD2 3.9Å; L361-F401 HydrophobicContact CB-CE2 4.45Å; L361-F401 HydrophobicContact CD2-CD2 3.83Å; L361-F401 HydrophobicContact CD2-CE2 3.62Å; L361-F401 HydrophobicContact CG-CD2 3.82Å; L361-F401 HydrophobicContact CG-CE2 3.87Å; L361-F401 WeakPolarHBondContact O-CA 3.31Å; L361-I402 PolarHBondContact O-N 3.4Å
362	M	98.8	Very high	93.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	142.2	164.6	-51.9	172.1	-64.5	0	0	109.2	M240 F273 A274 D275 V276 F283 V287 F360 I402	M240-M362 HydrophobicContact CE-CG 4.19Å; M240-M362 HydrophobicContact CE-SD 3.67Å; M240-M362 HydrophobicContact CG-SD 3.91Å; M240-M362 HydrophobicContact SD-CG 4.28Å; M240-M362 HydrophobicContact SD-SD 3.93Å; F273-M362 HydrophobicContact CD2-CE 3.64Å; F273-M362 HydrophobicContact CE2-CE 3.82Å; A274-M362 PolarHBondContact O-N 3.1Å; D275-M362 WeakPolarHBondContact CA-O 3.44Å; D275-M362 HydrophobicContact CB-CE 3.89Å; V276-M362 PolarHBondContact N-O 3.12Å; F283-M362 HydrophobicContact CB-CE 3.88Å; F283-M362 HydrophobicContact CB-SD 3.91Å; F283-M362 HydrophobicContact CD2-CB 3.8Å; F283-M362 HydrophobicContact CD2-CG 4.49Å; F283-M362 HydrophobicContact CD2-SD 4.26Å; F283-M362 HydrophobicContact CE2-CB 4.43Å; F283-M362 HydrophobicContact CG-SD 4.43Å; V287-M362 HydrophobicContact CG2-CE 3.97Å; V287-M362 HydrophobicContact CG2-SD 3.91Å; F360-M362 HydrophobicContact CD2-CG 3.8Å; F360-M362 HydrophobicContact CD2-SD 4.44Å; F360-M362 HydrophobicContact CE2-CE 4.16Å; F360-M362 HydrophobicContact CE2-CG 3.7Å; F360-M362 HydrophobicContact CE2-SD 3.73Å; M362-I402 CarbonylContact C-O 3.59Å; M362-I402 WeakPolarHBondContact CA-O 3.46Å; M362-I402 HydrophobicContact CB-CG2 4.05Å; M362-I402 HydrophobicContact CG-CG2 3.81Å
363	A	98.1	Very high	93.1	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	119.4	179.7	0	0	0	0	0	109.8	V276 Q387 F401 I402 C403 K404	V276-A363 HydrophobicContact CG2-CB 3.65Å; V276-A363 WeakPolarHBondContact O-CA 3.38Å; A363-Q387 HydrophobicContact CB-CB 4.03Å; A363-Q387 HydrophobicContact CB-CG 3.99Å; A363-F401 HydrophobicContact CB-CE2 3.98Å; A363-I402 PolarHBondContact N-O 3.02Å; A363-C403 HydrophobicContact CB-CB 4.17Å; A363-C403 CarbonylContact O-C 3.38Å; A363-C403 WeakPolarHBondContact O-CA 3.5Å; A363-K404 PolarHBondContact O-N 3.09Å
364	D	93.7	Very high	92.9	Very high	26 Å²	26	46.6 Å²	46.6	14%	0.139	24%	0.244	C	C	.	.			trans	-122.5	34	-177.3	-158.7	44.4	0	0	0	111.9	V276 F283 K404 Y443	V276-D364 PolarHBondContact O-N 2.86Å; F283-D364 HydrophobicContact CD2-CB 4.08Å; F283-D364 HydrophobicContact CE2-CB 3.62Å; F283-D364 HydrophobicContact CZ-CB 3.9Å; D364-K404 WeakPolarHBondContact O-CE 3.31Å; D364-K404 PolarHBondContact O-NZ 3.24Å; D364-K404 WeakPolarHBondContact OD1-CB 3.4Å; D364-K404 WeakPolarHBondContact OD1-CD 3.21Å; D364-K404 VanDerWaalsContact OD1-CE 3.29Å; D364-K404 WeakPolarHBondContact OD1-CE 3.31Å; D364-K404 IonicContact OD1-NZ 2.78Å; D364-K404 PolarHBondContact OD1-NZ 3.06Å; D364-K404 IonicContact OD2-NZ 3.7Å; D364-K404 PolarHBondContact OD2-NZ 2.73Å; D364-Y443 PolarHBondContact OD1-OH 3.28Å
365	G	85.3	Confident	93	Very high	3 Å²	3	43.5 Å²	43.5	3%	0.031	23%	0.227	C	C	.	.			trans	-61.8	135.5	-178.7	0	0	0	0	0	113.6	C277 Q387 K404	C277-G365 VanDerWaalsContact CB-CA 3.41Å; G365-Q387 VanDerWaalsContact CA-OE1 3.25Å; G365-K404 WeakPolarHBondContact O-CE 3.06Å
366	G	85.6	Confident	92.9	Very high	24 Å²	24	38.1 Å²	38.1	25%	0.247	21%	0.208	C	C	.	.			trans	-178.5	162	176.2	0	0	0	0	0	109.9
367	F	87.1	Confident	92.9	Very high	40 Å²	40	31.8 Å²	31.8	18%	0.175	18%	0.18	C	C	.	.			trans	-150.4	168.2	-179.8	55.7	-91.8	0	0	0	111.2	L27 V369 L379 L383	L27-F367 HydrophobicContact CB-CB 4.5Å; L27-F367 HydrophobicContact CD2-CB 3.45Å; L27-F367 VanDerWaalsContact CD2-CB 3.45Å; L27-F367 HydrophobicContact CD2-CG 4.12Å; F367-V369 HydrophobicContact CD2-CG1 4.01Å; F367-V369 HydrophobicContact CE2-CG1 3.77Å; F367-V369 PolarHBondContact O-N 2.69Å; F367-L379 HydrophobicContact CE2-CB 4.3Å; F367-L379 HydrophobicContact CZ-CB 4.08Å; F367-L379 WeakPolarHBondContact CZ-O 3.42Å; F367-L383 HydrophobicContact CD1-CD2 4.05Å; F367-L383 HydrophobicContact CE1-CD2 4.28Å
368	S	85.2	Confident	92.9	Very high	38 Å²	38	32.5 Å²	32.5	27%	0.266	18%	0.184	S	C	.	.			trans	-65.3	130.8	177.3	-154.2	0	0	0	0	110.9	S28	S28-S368 VanDerWaalsContact OG-CB 3.28Å; S28-S368 WeakPolarHBondContact OG-CB 3.25Å; S28-S368 PolarHBondContact OG-OG 3.47Å
369	V	89.3	Confident	92.8	Very high	16 Å²	16	35.3 Å²	35.3	10%	0.097	20%	0.199	C	C	.	.			trans	-126	34	172.9	-66.1	0	0	0	0	109.7	F367 G371 Q372 E373 Q376 L379	F367-V369 HydrophobicContact CD2-CG1 4.01Å; F367-V369 HydrophobicContact CE2-CG1 3.77Å; F367-V369 PolarHBondContact O-N 2.69Å; V369-G371 PolarHBondContact O-N 2.75Å; V369-Q372 CarbonylContact O-C 3.54Å; V369-Q372 VanDerWaalsContact O-C 3.25Å; V369-Q372 WeakPolarHBondContact O-CA 3.02Å; V369-Q372 PolarHBondContact O-N 2.9Å; V369-E373 PolarHBondContact O-N 3.28Å; V369-Q376 HydrophobicContact CG1-CG 4.27Å; V369-Q376 HydrophobicContact CG2-CB 3.96Å; V369-Q376 HydrophobicContact CG2-CG 3.86Å; V369-L379 HydrophobicContact CB-CD1 4.19Å; V369-L379 HydrophobicContact CG1-CB 4.41Å; V369-L379 HydrophobicContact CG1-CD1 3.75Å
370	E	86	Confident	92.8	Very high	170 Å²	170	35.4 Å²	35.4	79%	0.794	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.8	121	-175.8	-172.3	175.4	179.3	0	0	111.8	Q372 E373	E370-Q372 VanDerWaalsContact C-N 3.33Å; E370-E373 VanDerWaalsContact CA-OE1 3.29Å; E370-E373 WeakPolarHBondContact CA-OE1 3.4Å
371	G	84.6	Confident	92.7	Very high	64 Å²	64	36.4 Å²	36.4	66%	0.66	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.1	6.7	-175.3	0	0	0	0	0	115.4	V369 E373	V369-G371 PolarHBondContact O-N 2.75Å; G371-E373 VanDerWaalsContact C-OE2 3.32Å; G371-E373 VanDerWaalsContact CA-OE2 3.28Å; G371-E373 WeakPolarHBondContact CA-OE2 3.32Å; G371-E373 VanDerWaalsContact N-CD 3.32Å; G371-E373 PolarHBondContact N-OE1 2.84Å; G371-E373 PolarHBondContact N-OE2 2.68Å
372	Q	90.6	Very high	92.7	Very high	107 Å²	107	37.6 Å²	37.6	50%	0.5	21%	0.21	S	C	.	.			trans	-142.4	32.7	175.1	-63.2	-168.9	-9.9	0	0	111.7	V369 E370 N374 L375 L379	V369-Q372 CarbonylContact O-C 3.54Å; V369-Q372 VanDerWaalsContact O-C 3.25Å; V369-Q372 WeakPolarHBondContact O-CA 3.02Å; V369-Q372 PolarHBondContact O-N 2.9Å; E370-Q372 VanDerWaalsContact C-N 3.33Å; Q372-N374 VanDerWaalsContact C-N 3.26Å; Q372-N374 PolarHBondContact O-N 3.42Å; Q372-L375 PolarHBondContact O-N 3.25Å; Q372-L379 HydrophobicContact CB-CD1 4.32Å
373	E	89.9	Confident	92.7	Very high	80 Å²	80	38.7 Å²	38.7	37%	0.374	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-57.1	-37	-173	-70.4	74.8	-172.3	0	0	112.6	V369 E370 G371 L375 Q376	V369-E373 PolarHBondContact O-N 3.28Å; E370-E373 VanDerWaalsContact CA-OE1 3.29Å; E370-E373 WeakPolarHBondContact CA-OE1 3.4Å; G371-E373 VanDerWaalsContact C-OE2 3.32Å; G371-E373 VanDerWaalsContact CA-OE2 3.28Å; G371-E373 WeakPolarHBondContact CA-OE2 3.32Å; G371-E373 VanDerWaalsContact N-CD 3.32Å; G371-E373 PolarHBondContact N-OE1 2.84Å; G371-E373 PolarHBondContact N-OE2 2.68Å; E373-L375 PolarHBondContact O-N 3.39Å; E373-Q376 WeakPolarHBondContact O-CB 3.33Å; E373-Q376 PolarHBondContact O-N 3.29Å
374	N	93.3	Very high	92.7	Very high	33 Å²	33	39 Å²	39	18%	0.176	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-63.5	-20.7	176	-72.8	-18.2	0	0	0	113.4	I184 L200 K203 S204 Q372	I184-N374 HydrophobicContact CG2-CB 4.36Å; L200-N374 HydrophobicContact CD2-CB 3.77Å; K203-N374 WeakPolarHBondContact CB-OD1 3.44Å; K203-N374 WeakPolarHBondContact CD-OD1 3.36Å; S204-N374 PolarHBondContact OG-ND2 2.86Å; Q372-N374 VanDerWaalsContact C-N 3.26Å; Q372-N374 PolarHBondContact O-N 3.42Å
375	L	96.1	Very high	93	Very high	31 Å²	31	37.8 Å²	37.8	16%	0.162	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-98.2	8.6	179.9	-57.6	178.1	0	0	0	113	M182 I184 Q372 E373 E377 I378 L379	M182-L375 HydrophobicContact CE-CD1 4.24Å; I184-L375 HydrophobicContact CB-CD2 4.27Å; I184-L375 HydrophobicContact CG2-CD2 4.13Å; Q372-L375 PolarHBondContact O-N 3.25Å; E373-L375 PolarHBondContact O-N 3.39Å; L375-E377 VanDerWaalsContact C-N 3.29Å; L375-E377 PolarHBondContact O-N 2.98Å; L375-I378 HydrophobicContact CD2-CD1 4.28Å; L375-I378 PolarHBondContact O-N 2.98Å; L375-I378 VanDerWaalsContact O-N 3.17Å; L375-L379 HydrophobicContact CB-CD1 4.03Å; L375-L379 HydrophobicContact CB-CG 4.24Å; L375-L379 WeakPolarHBondContact O-CB 3.33Å; L375-L379 WeakPolarHBondContact O-CG 3.28Å; L375-L379 PolarHBondContact O-N 3.17Å
376	Q	95.8	Very high	93.6	Very high	24 Å²	24	37.7 Å²	37.7	11%	0.112	21%	0.21	C	C	.	.	H	α-helix	trans	-55.9	-38.9	-174.1	-168.6	165.9	49.1	0	0	113.7	V369 E373 S380 F406	V369-Q376 HydrophobicContact CG1-CG 4.27Å; V369-Q376 HydrophobicContact CG2-CB 3.96Å; V369-Q376 HydrophobicContact CG2-CG 3.86Å; E373-Q376 WeakPolarHBondContact O-CB 3.33Å; E373-Q376 PolarHBondContact O-N 3.29Å; Q376-S380 VanDerWaalsContact O-CB 3.29Å; Q376-S380 WeakPolarHBondContact O-CB 2.99Å; Q376-S380 PolarHBondContact O-N 3.09Å; Q376-S380 PolarHBondContact O-OG 3.44Å; Q376-F406 VanDerWaalsContact CD-CD1 3.48Å; Q376-F406 HydrophobicContact CG-CB 4.36Å; Q376-F406 HydrophobicContact CG-CD1 4.16Å; Q376-F406 HydrophobicContact CG-CD2 3.72Å; Q376-F406 HydrophobicContact CG-CE1 4.4Å; Q376-F406 HydrophobicContact CG-CE2 3.98Å; Q376-F406 HydrophobicContact CG-CG 3.81Å; Q376-F406 HydrophobicContact CG-CZ 4.31Å
377	E	97.9	Very high	94.3	Very high	5 Å²	5	36.7 Å²	36.7	2%	0.023	20%	0.198	C	C	.	.	H	α-helix	trans	-60.5	-56.3	175.6	-177.3	-178.5	165.6	0	0	111.2	L375 L379 S380 K381 D407 L408 F409 T410 S413	L375-E377 VanDerWaalsContact C-N 3.29Å; L375-E377 PolarHBondContact O-N 2.98Å; E377-L379 VanDerWaalsContact C-N 3.34Å; E377-L379 PolarHBondContact O-N 2.96Å; E377-S380 PolarHBondContact O-N 3.21Å; E377-S380 PolarHBondContact O-OG 2.94Å; E377-K381 PolarHBondContact O-N 2.81Å; E377-D407 HydrophobicContact CB-CB 4.28Å; E377-D407 VanDerWaalsContact CD-O 3.24Å; E377-D407 WeakPolarHBondContact CG-O 3.2Å; E377-L408 PolarHBondContact OE2-N 2.99Å; E377-F409 PolarHBondContact OE1-N 3.18Å; E377-F409 PolarHBondContact OE2-N 3.28Å; E377-T410 HydrophobicContact CG-CG2 4.44Å; E377-T410 VanDerWaalsContact OE1-CB 3.31Å; E377-T410 WeakPolarHBondContact OE1-CB 3.44Å; E377-T410 WeakPolarHBondContact OE1-CG2 3.17Å; E377-T410 PolarHBondContact OE1-N 3.04Å; E377-T410 PolarHBondContact OE1-OG1 3.41Å; E377-S413 WeakPolarHBondContact CG-OG 3.2Å; E377-S413 WeakPolarHBondContact OE1-CB 3.43Å; E377-S413 PolarHBondContact OE1-OG 2.88Å
378	I	98.1	Very high	94.8	Very high	14 Å²	14	34.8 Å²	34.8	7%	0.072	19%	0.19	C	C	.	.	H	α-helix	trans	-60.3	-43.6	-178.2	-60.6	173.7	0	0	0	110.8	K181 M182 I184 L375 S380 K381 T410	K181-I378 WeakPolarHBondContact O-CG2 3.43Å; M182-I378 HydrophobicContact CE-CG2 4.09Å; M182-I378 HydrophobicContact SD-CG2 3.75Å; I184-I378 HydrophobicContact CB-CD1 4.36Å; I184-I378 HydrophobicContact CD1-CD1 4.3Å; L375-I378 HydrophobicContact CD2-CD1 4.28Å; L375-I378 PolarHBondContact O-N 2.98Å; L375-I378 VanDerWaalsContact O-N 3.17Å; I378-S380 PolarHBondContact O-N 3.46Å; I378-K381 WeakPolarHBondContact O-CB 3.49Å; I378-K381 WeakPolarHBondContact O-CD 3.35Å; I378-K381 VanDerWaalsContact O-CG 3.25Å; I378-K381 WeakPolarHBondContact O-CG 3.49Å; I378-T410 HydrophobicContact CG1-CG2 4.1Å
379	L	97.4	Very high	95.5	Very high	60 Å²	60	33 Å²	33	31%	0.314	18%	0.178	S	C	.	.	H	α-helix	trans	-65	-37.7	179.2	-69.8	170.1	0	0	0	112.2	M182 F367 V369 Q372 L375 E377	M182-L379 HydrophobicContact CE-CD2 3.8Å; M182-L379 HydrophobicContact CE-CG 4.32Å; F367-L379 HydrophobicContact CE2-CB 4.3Å; F367-L379 HydrophobicContact CZ-CB 4.08Å; F367-L379 WeakPolarHBondContact CZ-O 3.42Å; V369-L379 HydrophobicContact CB-CD1 4.19Å; V369-L379 HydrophobicContact CG1-CB 4.41Å; V369-L379 HydrophobicContact CG1-CD1 3.75Å; Q372-L379 HydrophobicContact CB-CD1 4.32Å; L375-L379 HydrophobicContact CB-CD1 4.03Å; L375-L379 HydrophobicContact CB-CG 4.24Å; L375-L379 WeakPolarHBondContact O-CB 3.33Å; L375-L379 WeakPolarHBondContact O-CG 3.28Å; L375-L379 PolarHBondContact O-N 3.17Å; E377-L379 VanDerWaalsContact C-N 3.34Å; E377-L379 PolarHBondContact O-N 2.96Å
380	S	97.3	Very high	95.9	Very high	8 Å²	8	32.2 Å²	32.2	6%	0.056	17%	0.173	C	C	.	.	H	α-helix	trans	-91.3	-0	-177.2	65.5	0	0	0	0	114.8	Q376 E377 I378 Q382 L383 L384	Q376-S380 VanDerWaalsContact O-CB 3.29Å; Q376-S380 WeakPolarHBondContact O-CB 2.99Å; Q376-S380 PolarHBondContact O-N 3.09Å; Q376-S380 PolarHBondContact O-OG 3.44Å; E377-S380 PolarHBondContact O-N 3.21Å; E377-S380 PolarHBondContact O-OG 2.94Å; I378-S380 PolarHBondContact O-N 3.46Å; S380-Q382 VanDerWaalsContact C-N 3.33Å; S380-Q382 PolarHBondContact O-N 3.4Å; S380-Q382 VanDerWaalsContact O-N 3.14Å; S380-L383 WeakPolarHBondContact O-CA 3.2Å; S380-L383 VanDerWaalsContact O-CB 3.32Å; S380-L383 WeakPolarHBondContact O-CB 3.16Å; S380-L383 PolarHBondContact O-N 2.9Å; S380-L384 PolarHBondContact O-N 2.71Å
381	K	98.4	Very high	96.5	Very high	21 Å²	21	24.1 Å²	24.1	9%	0.091	14%	0.135	C	C	.	.	H	α-helix	trans	-50.4	-42.5	-174.4	77.2	-174.3	-71.2	-176.9	0	115.2	E377 I378 L384 L385 F412 D476 V477	E377-K381 PolarHBondContact O-N 2.81Å; I378-K381 WeakPolarHBondContact O-CB 3.49Å; I378-K381 WeakPolarHBondContact O-CD 3.35Å; I378-K381 VanDerWaalsContact O-CG 3.25Å; I378-K381 WeakPolarHBondContact O-CG 3.49Å; K381-L384 PolarHBondContact O-N 2.99Å; K381-L385 PolarHBondContact O-N 3.2Å; K381-L385 VanDerWaalsContact O-N 3.08Å; K381-F412 HydrophobicContact CB-CD1 3.84Å; K381-F412 HydrophobicContact CB-CE1 3.61Å; K381-F412 HydrophobicContact CB-CZ 4.39Å; K381-F412 HydrophobicContact CG-CE1 4.18Å; K381-D476 WeakPolarHBondContact CD-OD2 3.35Å; K381-D476 WeakPolarHBondContact CE-OD2 3.27Å; K381-D476 IonicContact NZ-OD2 3.25Å; K381-D476 PolarHBondContact NZ-OD2 3.05Å; K381-V477 WeakPolarHBondContact CE-O 3.38Å; K381-V477 PolarHBondContact NZ-O 3.18Å
382	Q	98.7	Very high	97.2	Very high	26 Å²	26	21.3 Å²	21.3	12%	0.121	11%	0.105	C	C	.	.	H	α-helix	trans	-70.7	-34.4	178.4	-171	-179.4	13	0	0	111.6	T337 S380 L385 C386 N464 L467 N468 R471	T337-Q382 HydrophobicContact CG2-CG 4.2Å; S380-Q382 VanDerWaalsContact C-N 3.33Å; S380-Q382 PolarHBondContact O-N 3.4Å; S380-Q382 VanDerWaalsContact O-N 3.14Å; Q382-L385 PolarHBondContact O-N 3.32Å; Q382-C386 WeakPolarHBondContact O-CB 3.38Å; Q382-C386 PolarHBondContact O-N 2.62Å; Q382-C386 PolarHBondContact O-SG 3.1Å; Q382-N464 PolarHBondContact NE2-OD1 2.85Å; Q382-L467 HydrophobicContact CB-CD1 4.13Å; Q382-L467 HydrophobicContact CG-CB 4.24Å; Q382-L467 HydrophobicContact CG-CD1 3.92Å; Q382-N468 VanDerWaalsContact NE2-CG 3.31Å; Q382-N468 PolarHBondContact NE2-OD1 2.02Å; Q382-R471 VanDerWaalsContact OE1-CZ 3.32Å
383	L	98.4	Very high	97.6	Very high	23 Å²	23	16.7 Å²	16.7	12%	0.12	8%	0.084	C	C	.	.	H	α-helix	trans	-68.5	-39.1	176.6	-176.7	61.2	0	0	0	111.1	I336 F367 S380 Q387	I336-L383 HydrophobicContact CG2-CD1 3.58Å; F367-L383 HydrophobicContact CD1-CD2 4.05Å; F367-L383 HydrophobicContact CE1-CD2 4.28Å; S380-L383 WeakPolarHBondContact O-CA 3.2Å; S380-L383 VanDerWaalsContact O-CB 3.32Å; S380-L383 WeakPolarHBondContact O-CB 3.16Å; S380-L383 PolarHBondContact O-N 2.9Å; L383-Q387 VanDerWaalsContact O-CG 3.27Å; L383-Q387 WeakPolarHBondContact O-CG 3.46Å; L383-Q387 PolarHBondContact O-N 3.25Å; L383-Q387 VanDerWaalsContact O-N 3.11Å; L383-Q387 PolarHBondContact O-NE2 2.86Å
384	L	98.8	Very high	98	Very high	7 Å²	7	12.9 Å²	12.9	4%	0.037	7%	0.067	C	C	.	.	H	α-helix	trans	-60.1	-51.9	172.8	-172.4	65.5	0	0	0	110.9	S380 K381 C386 Q387 F388 L408 L416	S380-L384 PolarHBondContact O-N 2.71Å; K381-L384 PolarHBondContact O-N 2.99Å; L384-C386 PolarHBondContact O-N 3.34Å; L384-Q387 PolarHBondContact O-N 3.36Å; L384-F388 HydrophobicContact CD1-CD1 4.2Å; L384-F388 HydrophobicContact CD1-CE1 3.38Å; L384-F388 HydrophobicContact CD1-CZ 3.58Å; L384-F388 HydrophobicContact CD2-CZ 4.39Å; L384-F388 HydrophobicContact CG-CE1 3.96Å; L384-F388 HydrophobicContact CG-CE2 4.4Å; L384-F388 HydrophobicContact CG-CZ 3.89Å; L384-F388 WeakPolarHBondContact O-CD1 3.22Å; L384-F388 PolarHBondContact O-N 2.97Å; L384-F388 VanDerWaalsContact O-N 3.09Å; L384-L408 HydrophobicContact CD2-CD2 4.44Å; L384-L416 HydrophobicContact CB-CD1 4.5Å; L384-L416 HydrophobicContact CD2-CD1 4.17Å; L384-L416 HydrophobicContact CG-CD1 4.21Å
385	L	98.9	Very high	98.3	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-55.2	-48.5	176.9	-174.5	152.2	0	0	0	112.1	K381 Q382 Q387 F388 L389 F412 L416 L460 V463 N464 L467	K381-L385 PolarHBondContact O-N 3.2Å; K381-L385 VanDerWaalsContact O-N 3.08Å; Q382-L385 PolarHBondContact O-N 3.32Å; L385-Q387 VanDerWaalsContact C-N 3.32Å; L385-Q387 PolarHBondContact O-N 2.85Å; L385-F388 PolarHBondContact O-N 3.47Å; L385-L389 HydrophobicContact CD2-CD2 4.5Å; L385-L389 VanDerWaalsContact O-CB 3.31Å; L385-L389 WeakPolarHBondContact O-CB 3.45Å; L385-L389 PolarHBondContact O-N 2.91Å; L385-F412 HydrophobicContact CB-CZ 4.39Å; L385-F412 HydrophobicContact CD1-CE2 4.45Å; L385-F412 HydrophobicContact CD1-CZ 3.81Å; L385-L416 HydrophobicContact CB-CD1 3.91Å; L385-L416 HydrophobicContact CB-CD2 4.23Å; L385-L416 HydrophobicContact CD1-CD2 4.05Å; L385-L416 HydrophobicContact CG-CD2 3.98Å; L385-L460 HydrophobicContact CD1-CD2 4.21Å; L385-L460 HydrophobicContact CG-CD2 4.23Å; L385-V463 HydrophobicContact CD1-CB 4.03Å; L385-V463 HydrophobicContact CD1-CG1 3.45Å; L385-V463 VanDerWaalsContact CD1-CG1 3.45Å; L385-N464 HydrophobicContact CD2-CB 3.79Å; L385-L467 HydrophobicContact CD1-CD1 3.97Å
386	C	98.9	Very high	98.4	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-66.7	-31	-177.6	-68.9	0	0	0	0	113.1	I336 Q382 L384 M390 N464	I336-C386 HydrophobicContact CG1-CB 4.22Å; I336-C386 HydrophobicContact CG2-CB 4.15Å; Q382-C386 WeakPolarHBondContact O-CB 3.38Å; Q382-C386 PolarHBondContact O-N 2.62Å; Q382-C386 PolarHBondContact O-SG 3.1Å; L384-C386 PolarHBondContact O-N 3.34Å; C386-M390 VanDerWaalsContact O-CB 3.31Å; C386-M390 WeakPolarHBondContact O-CB 3.39Å; C386-M390 PolarHBondContact O-N 2.84Å; C386-N464 PolarHBondContact SG-OD1 3.5Å
387	Q	98.8	Very high	98.6	Very high	3 Å²	3	15.6 Å²	15.6	1%	0.014	8%	0.083	C	C	.	.	H	α-helix	trans	-70.3	-39.1	172.9	-70.4	170.9	113.2	0	0	111.6	V276 I336 A363 G365 L383 L384 L385 M390 A391 F401	V276-Q387 HydrophobicContact CG2-CG 4.44Å; I336-Q387 HydrophobicContact CD1-CG 4.24Å; A363-Q387 HydrophobicContact CB-CB 4.03Å; A363-Q387 HydrophobicContact CB-CG 3.99Å; G365-Q387 VanDerWaalsContact CA-OE1 3.25Å; L383-Q387 VanDerWaalsContact O-CG 3.27Å; L383-Q387 WeakPolarHBondContact O-CG 3.46Å; L383-Q387 PolarHBondContact O-N 3.25Å; L383-Q387 VanDerWaalsContact O-N 3.11Å; L383-Q387 PolarHBondContact O-NE2 2.86Å; L384-Q387 PolarHBondContact O-N 3.36Å; L385-Q387 VanDerWaalsContact C-N 3.32Å; L385-Q387 PolarHBondContact O-N 2.85Å; Q387-M390 WeakPolarHBondContact O-CB 2.92Å; Q387-M390 PolarHBondContact O-N 3.16Å; Q387-A391 PolarHBondContact O-N 3.44Å; Q387-A391 VanDerWaalsContact O-N 3.11Å; Q387-F401 WeakPolarHBondContact O-CZ 3.48Å
388	F	98.9	Very high	98.6	Very high	1 Å²	1	16.5 Å²	16.5	0%	0.004	9%	0.094	C	C	.	.	H	α-helix	trans	-68.9	-45.3	176.9	-71	17.4	0	0	0	111.1	L384 L385 M390 A391 L392 F401 C403 L416 V417 L420 V444	L384-F388 HydrophobicContact CD1-CD1 4.2Å; L384-F388 HydrophobicContact CD1-CE1 3.38Å; L384-F388 HydrophobicContact CD1-CZ 3.58Å; L384-F388 HydrophobicContact CD2-CZ 4.39Å; L384-F388 HydrophobicContact CG-CE1 3.96Å; L384-F388 HydrophobicContact CG-CE2 4.4Å; L384-F388 HydrophobicContact CG-CZ 3.89Å; L384-F388 WeakPolarHBondContact O-CD1 3.22Å; L384-F388 PolarHBondContact O-N 2.97Å; L384-F388 VanDerWaalsContact O-N 3.09Å; L385-F388 PolarHBondContact O-N 3.47Å; F388-M390 VanDerWaalsContact C-N 3.25Å; F388-M390 PolarHBondContact O-N 3.34Å; F388-A391 VanDerWaalsContact O-CB 3.29Å; F388-A391 WeakPolarHBondContact O-CB 3.26Å; F388-A391 PolarHBondContact O-N 2.97Å; F388-L392 PolarHBondContact O-N 3.36Å; F388-F401 AromaticContact CD1-CE1 3.71Å; F388-F401 HydrophobicContact CD1-CE1 3.71Å; F388-F401 AromaticContact CD1-CZ 3.92Å; F388-F401 HydrophobicContact CD1-CZ 3.92Å; F388-F401 HydrophobicContact CE1-CE1 4.23Å; F388-F401 HydrophobicContact CG-CE1 4.31Å; F388-C403 HydrophobicContact CD1-CB 4.38Å; F388-C403 HydrophobicContact CE1-CB 3.95Å; F388-L416 HydrophobicContact CD2-CB 3.73Å; F388-L416 WeakPolarHBondContact CD2-O 3.48Å; F388-L416 HydrophobicContact CE2-CB 3.65Å; F388-V417 HydrophobicContact CE2-CG2 4.3Å; F388-V417 HydrophobicContact CZ-CG2 4.47Å; F388-L420 HydrophobicContact CB-CD2 4.18Å; F388-L420 HydrophobicContact CD1-CD1 3.94Å; F388-L420 HydrophobicContact CD2-CD1 3.4Å; F388-L420 HydrophobicContact CD2-CD2 4.17Å; F388-L420 HydrophobicContact CD2-CG 3.59Å; F388-L420 HydrophobicContact CE1-CD1 3.88Å; F388-L420 HydrophobicContact CE2-CD1 3.34Å; F388-L420 HydrophobicContact CE2-CG 3.9Å; F388-L420 HydrophobicContact CG-CD1 3.72Å; F388-L420 HydrophobicContact CG-CD2 4.19Å; F388-L420 HydrophobicContact CG-CG 4.07Å; F388-L420 HydrophobicContact CZ-CD1 3.6Å; F388-V444 HydrophobicContact CE1-CG1 3.72Å; F388-V444 HydrophobicContact CZ-CG1 3.72Å
389	L	98.9	Very high	98.6	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-55.4	-40.2	170.8	170.2	58.5	0	0	0	111.9	I342 L385 A391 L392 S393 R457 L460 F461 N464	I342-L389 HydrophobicContact CD1-CD2 3.89Å; L385-L389 HydrophobicContact CD2-CD2 4.5Å; L385-L389 VanDerWaalsContact O-CB 3.31Å; L385-L389 WeakPolarHBondContact O-CB 3.45Å; L385-L389 PolarHBondContact O-N 2.91Å; L389-A391 VanDerWaalsContact C-N 3.35Å; L389-L392 PolarHBondContact O-N 2.92Å; L389-S393 VanDerWaalsContact O-CB 3.28Å; L389-S393 WeakPolarHBondContact O-CB 3.24Å; L389-S393 PolarHBondContact O-N 3.36Å; L389-S393 PolarHBondContact O-OG 3.49Å; L389-R457 HydrophobicContact CD1-CG 3.93Å; L389-R457 WeakPolarHBondContact CD1-O 3.45Å; L389-L460 HydrophobicContact CB-CB 4.19Å; L389-L460 HydrophobicContact CD1-CB 4.02Å; L389-F461 HydrophobicContact CD1-CB 4.05Å; L389-F461 HydrophobicContact CD2-CB 4.28Å; L389-F461 HydrophobicContact CD2-CD2 4.14Å; L389-N464 HydrophobicContact CD2-CB 4.3Å
390	M	98.9	Very high	98.7	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-63.6	-40.2	175.6	-172.4	57.3	66.1	0	0	111.6	V276 M300 I336 I342 F345 L361 C386 Q387 F388 L392 S393 I394	V276-M390 HydrophobicContact CG1-CG 4.27Å; M300-M390 HydrophobicContact CE-CE 3.76Å; I336-M390 HydrophobicContact CD1-CB 4.31Å; I336-M390 HydrophobicContact CD1-CE 4.43Å; I336-M390 HydrophobicContact CG1-CE 4.27Å; I342-M390 HydrophobicContact CB-CE 4.3Å; I342-M390 HydrophobicContact CG1-CE 4.28Å; I342-M390 HydrophobicContact CG2-CE 4.07Å; F345-M390 HydrophobicContact CD1-CE 3.92Å; F345-M390 HydrophobicContact CD1-SD 3.71Å; F345-M390 HydrophobicContact CE1-SD 4.26Å; L361-M390 HydrophobicContact CD2-CB 4.11Å; L361-M390 HydrophobicContact CD2-CG 3.88Å; C386-M390 VanDerWaalsContact O-CB 3.31Å; C386-M390 WeakPolarHBondContact O-CB 3.39Å; C386-M390 PolarHBondContact O-N 2.84Å; Q387-M390 WeakPolarHBondContact O-CB 2.92Å; Q387-M390 PolarHBondContact O-N 3.16Å; F388-M390 VanDerWaalsContact C-N 3.25Å; F388-M390 PolarHBondContact O-N 3.34Å; M390-L392 PolarHBondContact O-N 2.93Å; M390-S393 WeakPolarHBondContact O-CB 3.46Å; M390-S393 PolarHBondContact O-N 2.88Å; M390-I394 HydrophobicContact CG-CD1 4.1Å; M390-I394 HydrophobicContact CG-CG1 4.32Å; M390-I394 WeakPolarHBondContact O-CG1 3.34Å; M390-I394 PolarHBondContact O-N 3.11Å; M390-I394 VanDerWaalsContact O-N 3.09Å; M390-I394 HydrophobicContact SD-CD1 3.96Å; M390-I394 HydrophobicContact SD-CG1 4.18Å; M390-I394 HydrophobicContact SD-CG2 3.92Å
391	A	98.9	Very high	98.7	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-56.8	-52.8	175.5	0	0	0	0	0	111.8	L361 Q387 F388 L389 S393 I394 V395 F401	L361-A391 HydrophobicContact CD2-CB 3.95Å; Q387-A391 PolarHBondContact O-N 3.44Å; Q387-A391 VanDerWaalsContact O-N 3.11Å; F388-A391 VanDerWaalsContact O-CB 3.29Å; F388-A391 WeakPolarHBondContact O-CB 3.26Å; F388-A391 PolarHBondContact O-N 2.97Å; L389-A391 VanDerWaalsContact C-N 3.35Å; A391-S393 PolarHBondContact O-N 2.57Å; A391-S393 VanDerWaalsContact O-N 3.15Å; A391-I394 PolarHBondContact O-N 3.17Å; A391-V395 HydrophobicContact CB-CG2 4.38Å; A391-V395 VanDerWaalsContact O-CB 3.26Å; A391-V395 WeakPolarHBondContact O-CB 3.46Å; A391-V395 WeakPolarHBondContact O-CG2 3.38Å; A391-V395 PolarHBondContact O-N 2.71Å; A391-F401 HydrophobicContact CB-CB 4.09Å; A391-F401 HydrophobicContact CB-CD1 3.52Å; A391-F401 HydrophobicContact CB-CD2 3.6Å; A391-F401 HydrophobicContact CB-CE1 3.66Å; A391-F401 HydrophobicContact CB-CE2 3.75Å; A391-F401 HydrophobicContact CB-CG 3.47Å; A391-F401 VanDerWaalsContact CB-CG 3.47Å; A391-F401 HydrophobicContact CB-CZ 3.75Å
392	L	98.9	Very high	98.8	Very high	5 Å²	5	12 Å²	12	3%	0.026	7%	0.07	C	C	.	.	H	α-helix	trans	-65.5	-14.8	177	-54.4	-175.9	0	0	0	113.3	F388 L389 M390 C423 F424 L449 I453 V456 R457 L460	F388-L392 PolarHBondContact O-N 3.36Å; L389-L392 PolarHBondContact O-N 2.92Å; M390-L392 PolarHBondContact O-N 2.93Å; L392-C423 HydrophobicContact CD2-CB 3.8Å; L392-F424 HydrophobicContact CD2-CE2 4.11Å; L392-L449 HydrophobicContact CD2-CD1 3.69Å; L392-I453 HydrophobicContact CB-CD1 4.38Å; L392-I453 WeakPolarHBondContact O-CD1 3.42Å; L392-V456 HydrophobicContact CD1-CB 4.22Å; L392-V456 HydrophobicContact CD1-CG1 3.72Å; L392-R457 HydrophobicContact CB-CB 3.96Å; L392-R457 HydrophobicContact CB-CG 4.3Å; L392-L460 HydrophobicContact CD1-CD1 4.11Å
393	S	98.9	Very high	98.8	Very high	9 Å²	9	10.7 Å²	10.7	6%	0.063	6%	0.064	C	C	.	.	H	α-helix	trans	-88.6	-34	179.9	-68.5	0	0	0	0	114.3	R346 L389 M390 A391	R346-S393 WeakPolarHBondContact CG-O 3.41Å; R346-S393 PolarHBondContact NE-O 3.31Å; L389-S393 VanDerWaalsContact O-CB 3.28Å; L389-S393 WeakPolarHBondContact O-CB 3.24Å; L389-S393 PolarHBondContact O-N 3.36Å; L389-S393 PolarHBondContact O-OG 3.49Å; M390-S393 WeakPolarHBondContact O-CB 3.46Å; M390-S393 PolarHBondContact O-N 2.88Å; A391-S393 PolarHBondContact O-N 2.57Å; A391-S393 VanDerWaalsContact O-N 3.15Å
394	I	98.9	Very high	98.8	Very high	1 Å²	1	10 Å²	10	1%	0.005	6%	0.06	C	C	.	.	H	α-helix	trans	-131.7	-11.6	-169.8	71	172	0	0	0	116.3	A274 F345 R346 V349 G357 V358 L361 M390 A391	A274-I394 HydrophobicContact CB-CD1 3.63Å; F345-I394 HydrophobicContact CD1-CD1 4.29Å; F345-I394 HydrophobicContact CE1-CD1 3.74Å; R346-I394 HydrophobicContact CB-CG2 3.99Å; R346-I394 HydrophobicContact CG-CG2 4.07Å; V349-I394 HydrophobicContact CB-CB 4.38Å; V349-I394 HydrophobicContact CB-CG2 4.22Å; V349-I394 HydrophobicContact CG1-CB 4.01Å; V349-I394 HydrophobicContact CG1-CD1 4.32Å; V349-I394 HydrophobicContact CG1-CG2 4.39Å; V349-I394 HydrophobicContact CG2-CD1 4.18Å; G357-I394 CarbonylContact C-O 3.32Å; G357-I394 WeakPolarHBondContact CA-O 3.14Å; V358-I394 HydrophobicContact CG2-CD1 4.44Å; V358-I394 HydrophobicContact CG2-CG1 4.23Å; V358-I394 WeakPolarHBondContact CG2-O 3.1Å; V358-I394 PolarHBondContact N-O 3.09Å; L361-I394 HydrophobicContact CD1-CD1 4.3Å; M390-I394 HydrophobicContact CG-CD1 4.1Å; M390-I394 HydrophobicContact CG-CG1 4.32Å; M390-I394 WeakPolarHBondContact O-CG1 3.34Å; M390-I394 PolarHBondContact O-N 3.11Å; M390-I394 VanDerWaalsContact O-N 3.09Å; M390-I394 HydrophobicContact SD-CD1 3.96Å; M390-I394 HydrophobicContact SD-CG1 4.18Å; M390-I394 HydrophobicContact SD-CG2 3.92Å; A391-I394 PolarHBondContact O-N 3.17Å
395	V	98.9	Very high	98.7	Very high	11 Å²	11	9.9 Å²	9.9	7%	0.067	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	136.7	174.1	178.5	0	0	0	0	108.8	V358 L361 A391 L449	V358-V395 HydrophobicContact CG2-CG2 4.23Å; L361-V395 HydrophobicContact CB-CG2 3.57Å; A391-V395 HydrophobicContact CB-CG2 4.38Å; A391-V395 VanDerWaalsContact O-CB 3.26Å; A391-V395 WeakPolarHBondContact O-CB 3.46Å; A391-V395 WeakPolarHBondContact O-CG2 3.38Å; A391-V395 PolarHBondContact O-N 2.71Å; V395-L449 HydrophobicContact CB-CD2 4.2Å; V395-L449 HydrophobicContact CG1-CB 4.33Å; V395-L449 HydrophobicContact CG1-CD2 4.27Å; V395-L449 VanDerWaalsContact O-CD2 3.26Å; V395-L449 WeakPolarHBondContact O-CD2 3.34Å
396	R	98.6	Very high	98.6	Very high	40 Å²	40	10.2 Å²	10.2	15%	0.151	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	158.6	176.7	71.4	-177.1	55.7	-175.5	-0.6	111.7	K356 G357 V358 H359 G398 G399	K356-R396 VanDerWaalsContact O-CA 3.31Å; K356-R396 WeakPolarHBondContact O-CA 3.1Å; K356-R396 WeakPolarHBondContact O-CB 3.44Å; G357-R396 PolarHBondContact O-NE 2.88Å; G357-R396 VanDerWaalsContact O-NE 3.1Å; G357-R396 PolarHBondContact O-NH2 3.18Å; V358-R396 VanDerWaalsContact O-CG 3.25Å; V358-R396 WeakPolarHBondContact O-CG 3.47Å; V358-R396 PolarHBondContact O-N 3.26Å; V358-R396 PolarHBondContact O-NE 3.05Å; H359-R396 PolarHBondContact CD2-NH1 3.35Å; H359-R396 VanDerWaalsContact CD2-NH1 3.31Å; H359-R396 PolarHBondContact CE1-NH1 3.06Å; H359-R396 VanDerWaalsContact CE1-NH1 3.32Å; H359-R396 PolarHBondContact CE1-NH2 3.39Å; H359-R396 PolarHBondContact NE2-NH1 2.81Å; R396-G398 PolarHBondContact O-N 2.98Å; R396-G399 VanDerWaalsContact O-CA 3.28Å; R396-G399 WeakPolarHBondContact O-CA 3.38Å; R396-G399 PolarHBondContact O-N 3.41Å
397	T	98.4	Very high	98.6	Very high	94 Å²	94	10.4 Å²	10.4	58%	0.577	6%	0.062	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-51.2	133.2	164.8	-51.9	0	0	0	0	111.3	G399 L449 V451	T397-G399 PolarHBondContact O-N 2.89Å; T397-L449 WeakPolarHBondContact CA-O 3.45Å; T397-V451 HydrophobicContact CG2-CG2 3.46Å; T397-V451 VanDerWaalsContact CG2-CG2 3.46Å
398	G	98.1	Very high	98.5	Very high	24 Å²	24	10.2 Å²	10.2	25%	0.247	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	74.1	-4.8	-172	0	0	0	0	0	114.5	R396 H400 L449	R396-G398 PolarHBondContact O-N 2.98Å; G398-H400 PolarHBondContact O-CE1 3.08Å; G398-H400 PolarHBondContact O-ND1 2.94Å; G398-L449 PolarHBondContact N-O 2.87Å
399	G	98.6	Very high	98.5	Very high	1 Å²	1	10.2 Å²	10.2	1%	0.01	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	176.4	176.3	0	0	0	0	0	113	H359 R396 T397 G448 L449	H359-G399 CarbonylContact O-C 3.52Å; H359-G399 WeakPolarHBondContact O-CA 3.36Å; R396-G399 VanDerWaalsContact O-CA 3.28Å; R396-G399 WeakPolarHBondContact O-CA 3.38Å; R396-G399 PolarHBondContact O-N 3.41Å; T397-G399 PolarHBondContact O-N 2.89Å; G399-G448 CarbonylContact O-C 3.57Å; G399-G448 WeakPolarHBondContact O-CA 3.47Å; G399-G448 PolarHBondContact O-N 3.45Å; G399-G448 VanDerWaalsContact O-N 3.11Å; G399-L449 PolarHBondContact O-N 3.33Å
400	H	98.9	Very high	98.5	Very high	6 Å²	6	10.7 Å²	10.7	3%	0.028	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	159.8	-171.7	-50.8	-15.8	0	0	0	111.5	M250 H359 F360 L361 G398 C446 G448	M250-H400 PolarHBondContact O-CD2 2.86Å; M250-H400 VanDerWaalsContact O-CD2 3.26Å; H359-H400 PolarHBondContact O-N 3.12Å; F360-H400 WeakPolarHBondContact CA-O 3.41Å; F360-H400 HydrophobicContact CB-CB 4.05Å; F360-H400 WeakPolarHBondContact CB-O 3.37Å; L361-H400 PolarHBondContact N-O 3.45Å; L361-H400 VanDerWaalsContact N-O 3.1Å; G398-H400 PolarHBondContact O-CE1 3.08Å; G398-H400 PolarHBondContact O-ND1 2.94Å; H400-C446 CarbonylContact C-O 3.6Å; H400-C446 WeakPolarHBondContact CA-O 3.32Å; H400-G448 PolarHBondContact ND1-N 3.18Å
401	F	98.9	Very high	98.5	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	140.5	179.4	174.5	-133.3	0	0	0	110.5	L361 A363 Q387 F388 A391 C403 L420 F424 C446	L361-F401 HydrophobicContact CB-CD2 3.9Å; L361-F401 HydrophobicContact CB-CE2 4.45Å; L361-F401 HydrophobicContact CD2-CD2 3.83Å; L361-F401 HydrophobicContact CD2-CE2 3.62Å; L361-F401 HydrophobicContact CG-CD2 3.82Å; L361-F401 HydrophobicContact CG-CE2 3.87Å; L361-F401 WeakPolarHBondContact O-CA 3.31Å; A363-F401 HydrophobicContact CB-CE2 3.98Å; Q387-F401 WeakPolarHBondContact O-CZ 3.48Å; F388-F401 AromaticContact CD1-CE1 3.71Å; F388-F401 HydrophobicContact CD1-CE1 3.71Å; F388-F401 AromaticContact CD1-CZ 3.92Å; F388-F401 HydrophobicContact CD1-CZ 3.92Å; F388-F401 HydrophobicContact CE1-CE1 4.23Å; F388-F401 HydrophobicContact CG-CE1 4.31Å; A391-F401 HydrophobicContact CB-CB 4.09Å; A391-F401 HydrophobicContact CB-CD1 3.52Å; A391-F401 HydrophobicContact CB-CD2 3.6Å; A391-F401 HydrophobicContact CB-CE1 3.66Å; A391-F401 HydrophobicContact CB-CE2 3.75Å; A391-F401 HydrophobicContact CB-CG 3.47Å; A391-F401 VanDerWaalsContact CB-CG 3.47Å; A391-F401 HydrophobicContact CB-CZ 3.75Å; F401-C403 HydrophobicContact CE1-CB 3.87Å; F401-C403 HydrophobicContact CE2-CB 3.89Å; F401-C403 HydrophobicContact CZ-CB 3.41Å; F401-C403 VanDerWaalsContact CZ-CB 3.41Å; F401-L420 HydrophobicContact CD1-CD1 4.22Å; F401-L420 HydrophobicContact CD1-CD2 4.28Å; F401-L420 HydrophobicContact CE1-CD1 3.96Å; F401-L420 HydrophobicContact CE1-CD2 4.25Å; F401-F424 HydrophobicContact CB-CE1 4.09Å; F401-F424 HydrophobicContact CB-CZ 3.7Å; F401-C446 HydrophobicContact CB-CB 4.19Å; F401-C446 PolarHBondContact N-O 3.27Å; F401-C446 PolarHBondContact O-N 3.26Å
402	I	98.9	Very high	98.5	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	127.4	170.6	-178.2	162.2	0	0	0	109.9	M240 M243 F251 L361 M362 A363 Y443 V444 V445	M240-I402 HydrophobicContact CE-CG2 4.39Å; M240-I402 HydrophobicContact SD-CD1 4.17Å; M240-I402 HydrophobicContact SD-CG2 4.07Å; M243-I402 HydrophobicContact CB-CD1 4.3Å; M243-I402 HydrophobicContact CE-CD1 3.49Å; M243-I402 VanDerWaalsContact CE-CD1 3.49Å; M243-I402 HydrophobicContact SD-CD1 3.6Å; F251-I402 HydrophobicContact CD1-CG2 4.35Å; F251-I402 HydrophobicContact CE1-CB 3.87Å; F251-I402 HydrophobicContact CE1-CG2 3.63Å; F251-I402 HydrophobicContact CE2-CD1 4.39Å; F251-I402 HydrophobicContact CZ-CB 3.86Å; F251-I402 HydrophobicContact CZ-CD1 3.9Å; F251-I402 HydrophobicContact CZ-CG1 4.49Å; F251-I402 HydrophobicContact CZ-CG2 3.91Å; L361-I402 PolarHBondContact O-N 3.4Å; M362-I402 CarbonylContact C-O 3.59Å; M362-I402 WeakPolarHBondContact CA-O 3.46Å; M362-I402 HydrophobicContact CB-CG2 4.05Å; M362-I402 HydrophobicContact CG-CG2 3.81Å; A363-I402 PolarHBondContact N-O 3.02Å; I402-Y443 HydrophobicContact CD1-CD1 4.23Å; I402-Y443 HydrophobicContact CD1-CG 4.46Å; I402-Y443 HydrophobicContact CG1-CD1 3.91Å; I402-Y443 HydrophobicContact CG1-CG 4.42Å; I402-V444 WeakPolarHBondContact CA-O 3.48Å; I402-V445 HydrophobicContact CD1-CG2 3.79Å; I402-V445 HydrophobicContact CG1-CG2 3.98Å
403	C	98.8	Very high	98.5	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	132.7	-178.6	-168.1	0	0	0	0	111.3	A363 F388 F401 Y443 V444	A363-C403 HydrophobicContact CB-CB 4.17Å; A363-C403 CarbonylContact O-C 3.38Å; A363-C403 WeakPolarHBondContact O-CA 3.5Å; F388-C403 HydrophobicContact CD1-CB 4.38Å; F388-C403 HydrophobicContact CE1-CB 3.95Å; F401-C403 HydrophobicContact CE1-CB 3.87Å; F401-C403 HydrophobicContact CE2-CB 3.89Å; F401-C403 HydrophobicContact CZ-CB 3.41Å; F401-C403 VanDerWaalsContact CZ-CB 3.41Å; C403-Y443 CarbonylContact O-C 3.55Å; C403-Y443 VanDerWaalsContact O-CA 3.28Å; C403-Y443 WeakPolarHBondContact O-CA 2.97Å; C403-V444 HydrophobicContact CB-CG1 3.78Å; C403-V444 PolarHBondContact N-O 3.02Å; C403-V444 PolarHBondContact O-N 3.34Å
404	K	98.4	Very high	98.5	Very high	7 Å²	7	10.8 Å²	10.8	3%	0.03	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	139.6	164.3	-179.8	166.4	59	-149.8	0	109.8	A363 D364 G365 F406 E441 Y443	A363-K404 PolarHBondContact O-N 3.09Å; D364-K404 WeakPolarHBondContact O-CE 3.31Å; D364-K404 PolarHBondContact O-NZ 3.24Å; D364-K404 WeakPolarHBondContact OD1-CB 3.4Å; D364-K404 WeakPolarHBondContact OD1-CD 3.21Å; D364-K404 VanDerWaalsContact OD1-CE 3.29Å; D364-K404 WeakPolarHBondContact OD1-CE 3.31Å; D364-K404 IonicContact OD1-NZ 2.78Å; D364-K404 PolarHBondContact OD1-NZ 3.06Å; D364-K404 IonicContact OD2-NZ 3.7Å; D364-K404 PolarHBondContact OD2-NZ 2.73Å; G365-K404 WeakPolarHBondContact O-CE 3.06Å; K404-F406 HydrophobicContact CD-CE1 4.4Å; K404-F406 HydrophobicContact CD-CZ 4.35Å; K404-E441 HydrophobicContact CD-CG 3.7Å; K404-E441 VanDerWaalsContact CD-OE2 3.3Å; K404-E441 WeakPolarHBondContact CD-OE2 3.39Å; K404-E441 HydrophobicContact CG-CG 3.93Å; K404-Y443 HydrophobicContact CB-CD1 4.11Å; K404-Y443 HydrophobicContact CB-CE1 3.58Å; K404-Y443 HydrophobicContact CG-CE1 4.36Å
405	T	97.7	Very high	98.5	Very high	5 Å²	5	10.8 Å²	10.8	3%	0.031	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	176.5	163.1	-168.7	0	0	0	0	109.1	L408 E441 R442	T405-L408 HydrophobicContact CG2-CD1 3.93Å; T405-L408 HydrophobicContact CG2-CD2 3.99Å; T405-L408 HydrophobicContact CG2-CG 4.03Å; T405-L408 WeakPolarHBondContact OG1-CD2 3.28Å; T405-E441 WeakPolarHBondContact O-CA 3.02Å; T405-R442 HydrophobicContact CG2-CG 3.61Å; T405-R442 PolarHBondContact N-O 3.21Å; T405-R442 PolarHBondContact O-N 2.9Å
406	F	96.6	Very high	98.5	Very high	8 Å²	8	10.3 Å²	10.3	4%	0.035	6%	0.062	C	C	.	.			trans	-112.6	-130.4	178.8	-60.3	-72.3	0	0	0	109.2	Q376 K404 S440 R442	Q376-F406 VanDerWaalsContact CD-CD1 3.48Å; Q376-F406 HydrophobicContact CG-CB 4.36Å; Q376-F406 HydrophobicContact CG-CD1 4.16Å; Q376-F406 HydrophobicContact CG-CD2 3.72Å; Q376-F406 HydrophobicContact CG-CE1 4.4Å; Q376-F406 HydrophobicContact CG-CE2 3.98Å; Q376-F406 HydrophobicContact CG-CG 3.81Å; Q376-F406 HydrophobicContact CG-CZ 4.31Å; K404-F406 HydrophobicContact CD-CE1 4.4Å; K404-F406 HydrophobicContact CD-CZ 4.35Å; F406-S440 CarbonylContact C-O 3.59Å; F406-S440 WeakPolarHBondContact CA-O 3.23Å; F406-S440 VanDerWaalsContact O-O 3.13Å; F406-R442 PolarHBondContact O-NE 2.87Å
407	D	98.1	Very high	98.6	Very high	3 Å²	3	8.4 Å²	8.4	2%	0.016	6%	0.055	C	C	.	.			trans	-61.1	154.8	165.1	-65.5	-53.2	0	0	0	110.5	K203 E377 F409 S440 R442	K203-D407 IonicContact NZ-OD1 3.21Å; K203-D407 IonicContact NZ-OD2 3.91Å; K203-D407 PolarHBondContact NZ-OD2 3.02Å; E377-D407 HydrophobicContact CB-CB 4.28Å; E377-D407 VanDerWaalsContact CD-O 3.24Å; E377-D407 WeakPolarHBondContact CG-O 3.2Å; D407-F409 HydrophobicContact CB-CD2 3.71Å; D407-F409 HydrophobicContact CB-CE2 3.55Å; D407-F409 HydrophobicContact CB-CZ 4.29Å; D407-F409 VanDerWaalsContact CG-CE2 3.49Å; D407-F409 WeakPolarHBondContact OD1-CE2 3.45Å; D407-S440 VanDerWaalsContact CG-CB 3.4Å; D407-S440 VanDerWaalsContact OD1-CB 3.31Å; D407-S440 WeakPolarHBondContact OD1-CB 3.36Å; D407-S440 PolarHBondContact OD1-OG 2.69Å; D407-S440 WeakPolarHBondContact OD2-CB 3.29Å; D407-S440 PolarHBondContact OD2-OG 3.17Å; D407-R442 IonicContact OD1-NH2 2.66Å
408	L	98.6	Very high	98.6	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	3%	0.03	C	C	.	.			trans	-138.6	48.3	-177.5	-68.4	174.8	0	0	0	109	E377 L384 T405 V414 V417 L429 M496 N500	E377-L408 PolarHBondContact OE2-N 2.99Å; L384-L408 HydrophobicContact CD2-CD2 4.44Å; T405-L408 HydrophobicContact CG2-CD1 3.93Å; T405-L408 HydrophobicContact CG2-CD2 3.99Å; T405-L408 HydrophobicContact CG2-CG 4.03Å; T405-L408 WeakPolarHBondContact OG1-CD2 3.28Å; L408-V414 WeakPolarHBondContact O-CG2 3.5Å; L408-V417 HydrophobicContact CD1-CG2 4.34Å; L408-V417 HydrophobicContact CD2-CG2 4.31Å; L408-L429 HydrophobicContact CD1-CD1 3.69Å; L408-L429 HydrophobicContact CD1-CD2 3.68Å; L408-L429 HydrophobicContact CD1-CG 4.34Å; L408-M496 HydrophobicContact CB-CE 3.59Å; L408-M496 HydrophobicContact CD1-CE 3.91Å; L408-M496 HydrophobicContact CG-CE 4.43Å; L408-N500 PolarHBondContact O-ND2 3.06Å
409	F	98.7	Very high	98.6	Very high	0 Å²	0	3.5 Å²	3.5	0%	0	2%	0.018	C	C	.	.			trans	-87.2	-35.8	-179	-58.4	-50.3	0	0	0	111.7	I184 E187 C191 L196 E377 D407 N500 C504	I184-F409 HydrophobicContact CD1-CB 4.4Å; I184-F409 HydrophobicContact CD1-CD2 4.26Å; E187-F409 HydrophobicContact CB-CB 3.96Å; C191-F409 HydrophobicContact CB-CD1 3.75Å; C191-F409 HydrophobicContact CB-CE1 3.91Å; L196-F409 HydrophobicContact CD1-CD1 4.33Å; L196-F409 HydrophobicContact CD1-CD2 3.61Å; L196-F409 HydrophobicContact CD1-CE1 4.31Å; L196-F409 HydrophobicContact CD1-CE2 3.57Å; L196-F409 HydrophobicContact CD1-CG 4.02Å; L196-F409 HydrophobicContact CD1-CZ 3.96Å; E377-F409 PolarHBondContact OE1-N 3.18Å; E377-F409 PolarHBondContact OE2-N 3.28Å; D407-F409 HydrophobicContact CB-CD2 3.71Å; D407-F409 HydrophobicContact CB-CE2 3.55Å; D407-F409 HydrophobicContact CB-CZ 4.29Å; D407-F409 VanDerWaalsContact CG-CE2 3.49Å; D407-F409 WeakPolarHBondContact OD1-CE2 3.45Å; F409-N500 HydrophobicContact CE1-CB 4.27Å; F409-C504 VanDerWaalsContact CZ-SG 3.55Å
410	T	98.8	Very high	98.6	Very high	11 Å²	11	3.5 Å²	3.5	7%	0.067	2%	0.018	C	C	.	.	S	Bend	trans	-71.3	140.5	-174.4	68.5	0	0	0	0	111.5	I184 E187 E377 I378 F412 S413 V414	I184-T410 HydrophobicContact CD1-CG2 4.2Å; E187-T410 HydrophobicContact CG-CG2 3.99Å; E377-T410 HydrophobicContact CG-CG2 4.44Å; E377-T410 VanDerWaalsContact OE1-CB 3.31Å; E377-T410 WeakPolarHBondContact OE1-CB 3.44Å; E377-T410 WeakPolarHBondContact OE1-CG2 3.17Å; E377-T410 PolarHBondContact OE1-N 3.04Å; E377-T410 PolarHBondContact OE1-OG1 3.41Å; I378-T410 HydrophobicContact CG1-CG2 4.1Å; T410-F412 PolarHBondContact O-N 3.06Å; T410-F412 VanDerWaalsContact O-N 3.12Å; T410-S413 PolarHBondContact O-N 3.23Å; T410-S413 PolarHBondContact OG1-N 3.48Å; T410-S413 PolarHBondContact OG1-OG 3.07Å; T410-S413 VanDerWaalsContact OG1-OG 3.09Å; T410-V414 PolarHBondContact O-N 3.16Å; T410-V414 VanDerWaalsContact O-N 3.07Å
411	P	98.8	Very high	98.6	Very high	14 Å²	14	3.4 Å²	3.4	9%	0.091	2%	0.017	C	C	.	.	H	α-helix	trans	-54	-28.7	171.3	-32.4	39.1	0	0	0	114.4	E187 E189 F190 G415 L479 L483	E187-P411 WeakPolarHBondContact OE2-CD 3.49Å; E189-P411 HydrophobicContact CB-CG 4.28Å; E189-P411 HydrophobicContact CG-CG 4.03Å; F190-P411 HydrophobicContact CE2-CG 4.39Å; P411-G415 PolarHBondContact O-N 3.04Å; P411-L479 HydrophobicContact CB-CD2 3.35Å; P411-L479 HydrophobicContact CG-CD2 4.43Å; P411-L483 HydrophobicContact CB-CD2 3.83Å; P411-L483 HydrophobicContact CB-CG 4.24Å; P411-L483 HydrophobicContact CG-CD1 4.29Å; P411-L483 HydrophobicContact CG-CD2 3.91Å; P411-L483 HydrophobicContact CG-CG 4.41Å
412	F	98.9	Very high	98.6	Very high	2 Å²	2	3.4 Å²	3.4	1%	0.009	2%	0.017	C	C	.	.	H	α-helix	trans	-61.2	-52	172.9	-178.2	-87.3	0	0	0	111.7	K381 L385 T410 G415 L416 L467 V477 V480	K381-F412 HydrophobicContact CB-CD1 3.84Å; K381-F412 HydrophobicContact CB-CE1 3.61Å; K381-F412 HydrophobicContact CB-CZ 4.39Å; K381-F412 HydrophobicContact CG-CE1 4.18Å; L385-F412 HydrophobicContact CB-CZ 4.39Å; L385-F412 HydrophobicContact CD1-CE2 4.45Å; L385-F412 HydrophobicContact CD1-CZ 3.81Å; T410-F412 PolarHBondContact O-N 3.06Å; T410-F412 VanDerWaalsContact O-N 3.12Å; F412-G415 PolarHBondContact O-N 3.27Å; F412-L416 HydrophobicContact CD1-CD1 3.99Å; F412-L416 HydrophobicContact CE1-CD1 3.47Å; F412-L416 VanDerWaalsContact CE1-CD1 3.47Å; F412-L416 HydrophobicContact CE1-CG 4.25Å; F412-L416 HydrophobicContact CZ-CD1 4.14Å; F412-L416 WeakPolarHBondContact O-CG 3.22Å; F412-L416 PolarHBondContact O-N 2.94Å; F412-L416 VanDerWaalsContact O-N 3.09Å; F412-L467 HydrophobicContact CZ-CD1 4.13Å; F412-V477 HydrophobicContact CD2-CG1 4.45Å; F412-V477 WeakPolarHBondContact CD2-O 3.49Å; F412-V477 HydrophobicContact CE2-CB 4.31Å; F412-V477 HydrophobicContact CE2-CG1 4.11Å; F412-V480 HydrophobicContact CD2-CG1 3.9Å; F412-V480 HydrophobicContact CE2-CG1 3.58Å; F412-V480 HydrophobicContact CZ-CG1 4.3Å
413	S	98.9	Very high	98.6	Very high	0 Å²	0	3.4 Å²	3.4	0%	0	2%	0.017	C	C	.	.	H	α-helix	trans	-67.2	-40.3	-179.3	-60.2	0	0	0	0	112	E377 T410 L416 V417	E377-S413 WeakPolarHBondContact CG-OG 3.2Å; E377-S413 WeakPolarHBondContact OE1-CB 3.43Å; E377-S413 PolarHBondContact OE1-OG 2.88Å; T410-S413 PolarHBondContact O-N 3.23Å; T410-S413 PolarHBondContact OG1-N 3.48Å; T410-S413 PolarHBondContact OG1-OG 3.07Å; T410-S413 VanDerWaalsContact OG1-OG 3.09Å; S413-L416 WeakPolarHBondContact O-CB 3.24Å; S413-L416 PolarHBondContact O-N 2.8Å; S413-V417 WeakPolarHBondContact O-CG2 3.32Å; S413-V417 PolarHBondContact O-N 3.02Å; S413-V417 VanDerWaalsContact O-N 3.1Å
414	V	98.9	Very high	98.6	Very high	0 Å²	0	3.4 Å²	3.4	0%	0	2%	0.018	C	C	.	.	H	α-helix	trans	-67	-40.7	177.4	177.8	0	0	0	0	111.2	F190 L408 T410 L416 V417 Y418 I486 F492 M496	F190-V414 HydrophobicContact CB-CG2 4.35Å; F190-V414 HydrophobicContact CD1-CG1 4.18Å; F190-V414 HydrophobicContact CD2-CB 4.04Å; F190-V414 HydrophobicContact CD2-CG1 4.15Å; F190-V414 HydrophobicContact CD2-CG2 3.67Å; F190-V414 HydrophobicContact CE1-CG1 3.96Å; F190-V414 HydrophobicContact CE2-CB 3.94Å; F190-V414 HydrophobicContact CE2-CG1 3.92Å; F190-V414 HydrophobicContact CE2-CG2 4.11Å; F190-V414 HydrophobicContact CG-CG1 4.27Å; F190-V414 HydrophobicContact CG-CG2 3.98Å; F190-V414 HydrophobicContact CZ-CB 4.35Å; F190-V414 HydrophobicContact CZ-CG1 3.82Å; L408-V414 WeakPolarHBondContact O-CG2 3.5Å; T410-V414 PolarHBondContact O-N 3.16Å; T410-V414 VanDerWaalsContact O-N 3.07Å; V414-L416 VanDerWaalsContact C-N 3.32Å; V414-L416 PolarHBondContact O-N 2.8Å; V414-V417 PolarHBondContact O-N 2.87Å; V414-V417 VanDerWaalsContact O-N 3.1Å; V414-Y418 PolarHBondContact O-N 3.23Å; V414-I486 HydrophobicContact CG1-CD1 4.45Å; V414-I486 HydrophobicContact CG1-CG2 3.98Å; V414-F492 HydrophobicContact CG1-CE1 3.75Å; V414-F492 HydrophobicContact CG1-CZ 4.21Å; V414-M496 HydrophobicContact CG1-CG 3.8Å; V414-M496 HydrophobicContact CG1-SD 4.24Å; V414-M496 HydrophobicContact CG2-CE 4.16Å; V414-M496 HydrophobicContact CG2-CG 3.99Å; V414-M496 HydrophobicContact CG2-SD 4.13Å
415	G	98.9	Very high	98.6	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-60.2	-38.2	172.8	0	0	0	0	0	113	P411 F412 Y418 L419 V481	P411-G415 PolarHBondContact O-N 3.04Å; F412-G415 PolarHBondContact O-N 3.27Å; G415-Y418 WeakPolarHBondContact O-CB 3.37Å; G415-Y418 PolarHBondContact O-N 2.91Å; G415-L419 WeakPolarHBondContact O-CG 3.48Å; G415-L419 PolarHBondContact O-N 2.88Å; G415-V481 WeakPolarHBondContact O-CG2 3.26Å
416	L	98.9	Very high	98.6	Very high	1 Å²	1	10.5 Å²	10.5	1%	0.005	5%	0.047	C	C	.	.	H	α-helix	trans	-63.7	-38.9	172.2	-73	178	0	0	0	112.8	L384 L385 F388 F412 S413 V414 L419 L420 L460 V480	L384-L416 HydrophobicContact CB-CD1 4.5Å; L384-L416 HydrophobicContact CD2-CD1 4.17Å; L384-L416 HydrophobicContact CG-CD1 4.21Å; L385-L416 HydrophobicContact CB-CD1 3.91Å; L385-L416 HydrophobicContact CB-CD2 4.23Å; L385-L416 HydrophobicContact CD1-CD2 4.05Å; L385-L416 HydrophobicContact CG-CD2 3.98Å; F388-L416 HydrophobicContact CD2-CB 3.73Å; F388-L416 WeakPolarHBondContact CD2-O 3.48Å; F388-L416 HydrophobicContact CE2-CB 3.65Å; F412-L416 HydrophobicContact CD1-CD1 3.99Å; F412-L416 HydrophobicContact CE1-CD1 3.47Å; F412-L416 VanDerWaalsContact CE1-CD1 3.47Å; F412-L416 HydrophobicContact CE1-CG 4.25Å; F412-L416 HydrophobicContact CZ-CD1 4.14Å; F412-L416 WeakPolarHBondContact O-CG 3.22Å; F412-L416 PolarHBondContact O-N 2.94Å; F412-L416 VanDerWaalsContact O-N 3.09Å; S413-L416 WeakPolarHBondContact O-CB 3.24Å; S413-L416 PolarHBondContact O-N 2.8Å; V414-L416 VanDerWaalsContact C-N 3.32Å; V414-L416 PolarHBondContact O-N 2.8Å; L416-L419 PolarHBondContact O-N 2.88Å; L416-L420 PolarHBondContact O-N 2.98Å; L416-L460 HydrophobicContact CD2-CD2 3.71Å; L416-V480 HydrophobicContact CD2-CG2 4Å; L416-V480 HydrophobicContact CG-CG2 3.99Å
417	V	98.9	Very high	98.7	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-68.4	-37.6	175.1	175.4	0	0	0	0	111	F158 F388 L408 S413 V414 L420 Y421 F492	F158-V417 HydrophobicContact CE2-CG1 4.02Å; F158-V417 HydrophobicContact CZ-CG1 3.96Å; F388-V417 HydrophobicContact CE2-CG2 4.3Å; F388-V417 HydrophobicContact CZ-CG2 4.47Å; L408-V417 HydrophobicContact CD1-CG2 4.34Å; L408-V417 HydrophobicContact CD2-CG2 4.31Å; S413-V417 WeakPolarHBondContact O-CG2 3.32Å; S413-V417 PolarHBondContact O-N 3.02Å; S413-V417 VanDerWaalsContact O-N 3.1Å; V414-V417 PolarHBondContact O-N 2.87Å; V414-V417 VanDerWaalsContact O-N 3.1Å; V417-L420 PolarHBondContact O-N 2.86Å; V417-Y421 WeakPolarHBondContact O-CB 3.39Å; V417-Y421 PolarHBondContact O-N 2.99Å; V417-F492 HydrophobicContact CB-CZ 4.42Å; V417-F492 HydrophobicContact CG1-CE2 4.16Å; V417-F492 HydrophobicContact CG1-CZ 4.11Å
418	Y	98.9	Very high	98.8	Very high	14 Å²	14	10 Å²	10	6%	0.055	4%	0.044	C	C	.	.	H	α-helix	trans	-61	-42.4	174.2	-174.4	-98.2	0	0	0	111.9	V414 G415 L420 Y421 C422 V481 V485 D489 F492	V414-Y418 PolarHBondContact O-N 3.23Å; G415-Y418 WeakPolarHBondContact O-CB 3.37Å; G415-Y418 PolarHBondContact O-N 2.91Å; Y418-L420 PolarHBondContact O-N 2.81Å; Y418-Y421 HydrophobicContact CD2-CD1 4.02Å; Y418-Y421 HydrophobicContact CE2-CD1 4.11Å; Y418-Y421 HydrophobicContact CE2-CE1 4.27Å; Y418-Y421 WeakPolarHBondContact O-CB 3.35Å; Y418-Y421 PolarHBondContact O-N 3.4Å; Y418-Y421 VanDerWaalsContact O-N 3.14Å; Y418-C422 PolarHBondContact O-N 2.68Å; Y418-C422 PolarHBondContact O-SG 3.13Å; Y418-C422 VanDerWaalsContact O-SG 3.32Å; Y418-V481 HydrophobicContact CD1-CG1 3.91Å; Y418-V481 HydrophobicContact CD1-CG2 4.19Å; Y418-V481 HydrophobicContact CE1-CG1 4.24Å; Y418-V485 HydrophobicContact CE1-CG1 3.95Å; Y418-D489 HydrophobicContact CE2-CB 4.05Å; Y418-F492 AromaticContact CD2-CD1 3.83Å; Y418-F492 HydrophobicContact CD2-CD1 3.83Å; Y418-F492 AromaticContact CD2-CD2 3.95Å; Y418-F492 HydrophobicContact CD2-CD2 3.95Å; Y418-F492 AromaticContact CD2-CE1 3.95Å; Y418-F492 HydrophobicContact CD2-CE1 3.95Å; Y418-F492 HydrophobicContact CD2-CE2 4.06Å; Y418-F492 AromaticContact CD2-CG 3.84Å; Y418-F492 HydrophobicContact CD2-CG 3.84Å; Y418-F492 HydrophobicContact CD2-CZ 4.07Å; Y418-F492 HydrophobicContact CE2-CG 4.38Å; Y418-F492 HydrophobicContact CG-CZ 4.43Å
419	L	98.9	Very high	98.8	Very high	2 Å²	2	10.6 Å²	10.6	1%	0.01	5%	0.048	C	C	.	.	H	α-helix	trans	-62.2	-38.5	174.5	-69.9	174.4	0	0	0	113	M171 W174 G415 L416 C422 C423 V456 Y459 L460 V481	M171-L419 HydrophobicContact SD-CD2 4.34Å; W174-L419 HydrophobicContact CE3-CD2 4.42Å; W174-L419 HydrophobicContact CZ3-CD2 3.82Å; G415-L419 WeakPolarHBondContact O-CG 3.48Å; G415-L419 PolarHBondContact O-N 2.88Å; L416-L419 PolarHBondContact O-N 2.88Å; L419-C422 PolarHBondContact O-N 3.23Å; L419-C423 WeakPolarHBondContact O-CB 3.3Å; L419-C423 PolarHBondContact O-N 3.27Å; L419-C423 VanDerWaalsContact O-N 3.11Å; L419-C423 PolarHBondContact O-SG 2.9Å; L419-V456 HydrophobicContact CB-CG1 4.15Å; L419-V456 HydrophobicContact CD1-CG1 4.43Å; L419-V456 HydrophobicContact CD2-CG1 3.95Å; L419-V456 HydrophobicContact CG-CG1 4.4Å; L419-Y459 HydrophobicContact CD1-CD1 4.4Å; L419-Y459 HydrophobicContact CD1-CE1 4.26Å; L419-L460 HydrophobicContact CD1-CD1 4.42Å; L419-L460 HydrophobicContact CD1-CD2 3.72Å; L419-L460 HydrophobicContact CD1-CG 4.21Å; L419-V481 HydrophobicContact CD1-CG2 4.23Å; L419-V481 HydrophobicContact CD2-CG2 4.05Å; L419-V481 HydrophobicContact CG-CG2 3.81Å
420	L	98.9	Very high	98.8	Very high	1 Å²	1	11.2 Å²	11.2	1%	0.005	5%	0.05	C	C	.	.	H	α-helix	trans	-66.6	-39.3	172.5	-68.5	-177.6	0	0	0	112	F388 F401 L416 V417 Y418 C422 C423 F424 V444	F388-L420 HydrophobicContact CB-CD2 4.18Å; F388-L420 HydrophobicContact CD1-CD1 3.94Å; F388-L420 HydrophobicContact CD2-CD1 3.4Å; F388-L420 HydrophobicContact CD2-CD2 4.17Å; F388-L420 HydrophobicContact CD2-CG 3.59Å; F388-L420 HydrophobicContact CE1-CD1 3.88Å; F388-L420 HydrophobicContact CE2-CD1 3.34Å; F388-L420 HydrophobicContact CE2-CG 3.9Å; F388-L420 HydrophobicContact CG-CD1 3.72Å; F388-L420 HydrophobicContact CG-CD2 4.19Å; F388-L420 HydrophobicContact CG-CG 4.07Å; F388-L420 HydrophobicContact CZ-CD1 3.6Å; F401-L420 HydrophobicContact CD1-CD1 4.22Å; F401-L420 HydrophobicContact CD1-CD2 4.28Å; F401-L420 HydrophobicContact CE1-CD1 3.96Å; F401-L420 HydrophobicContact CE1-CD2 4.25Å; L416-L420 PolarHBondContact O-N 2.98Å; V417-L420 PolarHBondContact O-N 2.86Å; Y418-L420 PolarHBondContact O-N 2.81Å; L420-C422 VanDerWaalsContact C-N 3.35Å; L420-C423 PolarHBondContact O-N 3.49Å; L420-F424 HydrophobicContact CD2-CD2 4.43Å; L420-F424 HydrophobicContact CD2-CE2 4Å; L420-F424 WeakPolarHBondContact O-CD2 3.14Å; L420-F424 PolarHBondContact O-N 3.26Å; L420-V444 HydrophobicContact CD1-CG1 4.16Å; L420-V444 HydrophobicContact CD1-CG2 4.15Å
421	Y	98.8	Very high	98.8	Very high	3 Å²	3	13.2 Å²	13.2	1%	0.012	6%	0.058	C	C	.	.	H	α-helix	trans	-61.1	-40.8	175.7	166.5	-111.1	0	0	0	112.2	F158 P159 C161 V417 Y418 D489 F492	F158-Y421 HydrophobicContact CB-CD2 4.12Å; F158-Y421 HydrophobicContact CB-CE2 4.1Å; F158-Y421 HydrophobicContact CG-CD2 4.44Å; P159-Y421 WeakPolarHBondContact O-CE2 3.34Å; C161-Y421 WeakPolarHBondContact CA-OH 3.27Å; C161-Y421 HydrophobicContact CB-CD1 4.18Å; C161-Y421 HydrophobicContact CB-CD2 3.97Å; C161-Y421 HydrophobicContact CB-CE1 3.86Å; C161-Y421 HydrophobicContact CB-CE2 3.61Å; C161-Y421 HydrophobicContact CB-CG 4.25Å; C161-Y421 VanDerWaalsContact CB-O 3.26Å; C161-Y421 WeakPolarHBondContact CB-O 3.43Å; V417-Y421 WeakPolarHBondContact O-CB 3.39Å; V417-Y421 PolarHBondContact O-N 2.99Å; Y418-Y421 HydrophobicContact CD2-CD1 4.02Å; Y418-Y421 HydrophobicContact CE2-CD1 4.11Å; Y418-Y421 HydrophobicContact CE2-CE1 4.27Å; Y418-Y421 WeakPolarHBondContact O-CB 3.35Å; Y418-Y421 PolarHBondContact O-N 3.4Å; Y418-Y421 VanDerWaalsContact O-N 3.14Å; Y421-D489 VanDerWaalsContact CE1-OD2 3.28Å; Y421-D489 WeakPolarHBondContact CE1-OD2 3.35Å; Y421-D489 PolarHBondContact OH-OD2 3.39Å; Y421-F492 AromaticContact CD1-CD2 3.48Å; Y421-F492 HydrophobicContact CD1-CD2 3.48Å; Y421-F492 VanDerWaalsContact CD1-CD2 3.48Å; Y421-F492 HydrophobicContact CD1-CE2 4.06Å; Y421-F492 HydrophobicContact CD1-CG 4.29Å; Y421-F492 HydrophobicContact CD2-CD2 4.33Å; Y421-F492 HydrophobicContact CE1-CB 4.09Å; Y421-F492 AromaticContact CE1-CD2 3.85Å; Y421-F492 HydrophobicContact CE1-CD2 3.85Å; Y421-F492 HydrophobicContact CE1-CG 4.33Å; Y421-F492 AromaticContact CG-CD2 3.72Å; Y421-F492 HydrophobicContact CG-CD2 3.72Å; Y421-F492 HydrophobicContact CG-CE2 4.04Å
422	C	98.8	Very high	98.7	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-62.7	-43.1	170.8	-61.3	0	0	0	0	112.4	Y418 L419 L420 K450	Y418-C422 PolarHBondContact O-N 2.68Å; Y418-C422 PolarHBondContact O-SG 3.13Å; Y418-C422 VanDerWaalsContact O-SG 3.32Å; L419-C422 PolarHBondContact O-N 3.23Å; L420-C422 VanDerWaalsContact C-N 3.35Å; C422-K450 VanDerWaalsContact O-CD 3.3Å; C422-K450 WeakPolarHBondContact O-CD 3.29Å; C422-K450 VanDerWaalsContact O-CE 3.32Å; C422-K450 WeakPolarHBondContact O-CE 3.34Å; C422-K450 PolarHBondContact O-NZ 2.84Å
423	C	98.8	Very high	98.7	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-81.7	-13.7	-170.9	-68.7	0	0	0	0	116.2	L392 L419 L420 L449 K450 I453	L392-C423 HydrophobicContact CD2-CB 3.8Å; L419-C423 WeakPolarHBondContact O-CB 3.3Å; L419-C423 PolarHBondContact O-N 3.27Å; L419-C423 VanDerWaalsContact O-N 3.11Å; L419-C423 PolarHBondContact O-SG 2.9Å; L420-C423 PolarHBondContact O-N 3.49Å; C423-L449 HydrophobicContact CB-CD1 4.44Å; C423-K450 WeakPolarHBondContact O-CB 3.09Å; C423-K450 PolarHBondContact O-N 3.19Å; C423-I453 HydrophobicContact CB-CG2 3.72Å
424	F	98.8	Very high	98.6	Very high	1 Å²	1	14.8 Å²	14.8	0%	0.004	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	152	-177.7	-76	-99	0	0	0	111.7	L392 F401 L420 V427 C446 G448 L449 K450	L392-F424 HydrophobicContact CD2-CE2 4.11Å; F401-F424 HydrophobicContact CB-CE1 4.09Å; F401-F424 HydrophobicContact CB-CZ 3.7Å; L420-F424 HydrophobicContact CD2-CD2 4.43Å; L420-F424 HydrophobicContact CD2-CE2 4Å; L420-F424 WeakPolarHBondContact O-CD2 3.14Å; L420-F424 PolarHBondContact O-N 3.26Å; F424-V427 HydrophobicContact CB-CG2 4.01Å; F424-C446 HydrophobicContact CB-CB 4.05Å; F424-C446 HydrophobicContact CD1-CB 3.49Å; F424-C446 VanDerWaalsContact CD1-CB 3.49Å; F424-C446 HydrophobicContact CD2-CB 3.73Å; F424-C446 HydrophobicContact CE1-CB 3.72Å; F424-C446 HydrophobicContact CE2-CB 3.95Å; F424-C446 HydrophobicContact CG-CB 3.49Å; F424-C446 VanDerWaalsContact CG-CB 3.49Å; F424-C446 HydrophobicContact CZ-CB 3.94Å; F424-G448 CarbonylContact C-O 3.55Å; F424-G448 VanDerWaalsContact CA-O 3.31Å; F424-G448 WeakPolarHBondContact CA-O 3.31Å; F424-L449 HydrophobicContact CD1-CB 4.07Å; F424-L449 HydrophobicContact CD1-CD1 4.31Å; F424-L449 HydrophobicContact CD2-CD1 3.97Å; F424-L449 HydrophobicContact CE1-CB 3.73Å; F424-L449 HydrophobicContact CE1-CD1 3.92Å; F424-L449 HydrophobicContact CE1-CG 4.44Å; F424-L449 HydrophobicContact CE2-CD1 3.54Å; F424-L449 HydrophobicContact CG-CD1 4.35Å; F424-L449 HydrophobicContact CZ-CB 4.18Å; F424-L449 HydrophobicContact CZ-CD1 3.52Å; F424-L449 HydrophobicContact CZ-CG 4.41Å; F424-K450 WeakPolarHBondContact O-CE 3.44Å
425	E	97.9	Very high	98.6	Very high	72 Å²	72	14.9 Å²	14.9	34%	0.336	7%	0.067	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59	-45.8	175.8	-69.2	168.4	-174.6	0	0	110.9	K447 G448	E425-K447 WeakPolarHBondContact CB-O 3.26Å; E425-K447 PolarHBondContact N-O 3.3Å; E425-K447 VanDerWaalsContact N-O 3.16Å; E425-G448 WeakPolarHBondContact CG-O 3.28Å; E425-G448 PolarHBondContact N-O 2.62Å
426	R	98.3	Very high	98.4	Very high	88 Å²	88	16.4 Å²	16.4	33%	0.332	7%	0.073	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	139.6	177.7	-62.2	-62.2	-66.7	-88.4	5	112.1	W157 F158 C446 K447	W157-R426 VanDerWaalsContact CB-NH2 3.3Å; W157-R426 HydrophobicContact CE3-CB 3.69Å; W157-R426 HydrophobicContact CZ3-CB 3.85Å; F158-R426 PolarHBondContact O-NE 2.8Å; F158-R426 PolarHBondContact O-NH2 2.65Å; R426-C446 CarbonylContact O-C 3.56Å; R426-C446 WeakPolarHBondContact O-CA 3.5Å; R426-K447 PolarHBondContact N-O 2.73Å; R426-K447 VanDerWaalsContact N-O 3.07Å; R426-K447 PolarHBondContact O-N 3.42Å
427	V	98.9	Very high	98.3	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	148.3	175.3	-179.7	0	0	0	0	110.2	F158 F424 V444 V445 C446	F158-V427 WeakPolarHBondContact CB-O 3.41Å; F158-V427 HydrophobicContact CD2-CB 4.1Å; F158-V427 HydrophobicContact CD2-CG1 4Å; F158-V427 WeakPolarHBondContact CD2-O 3.05Å; F158-V427 HydrophobicContact CE2-CG1 4.17Å; F158-V427 PolarHBondContact N-O 2.78Å; F424-V427 HydrophobicContact CB-CG2 4.01Å; V427-V444 HydrophobicContact CG1-CG2 3.7Å; V427-V445 CarbonylContact C-O 3.47Å; V427-V445 VanDerWaalsContact CA-O 3.31Å; V427-V445 WeakPolarHBondContact CA-O 3.31Å; V427-C446 HydrophobicContact CG2-CB 4.11Å
428	C	98.8	Very high	98.1	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	157.6	166.8	71.8	0	0	0	0	112.2	V155 S156 W157 F247 V444 V445	V155-C428 HydrophobicContact CG1-CB 4.4Å; S156-C428 WeakPolarHBondContact O-CB 3.25Å; W157-C428 HydrophobicContact CB-CB 4.33Å; W157-C428 HydrophobicContact CD2-CB 3.86Å; W157-C428 HydrophobicContact CE3-CB 3.72Å; W157-C428 HydrophobicContact CG-CB 4.14Å; W157-C428 HydrophobicContact CZ3-CB 4.31Å; F247-C428 VanDerWaalsContact CE1-SG 3.57Å; C428-V444 WeakPolarHBondContact O-CA 3.22Å; C428-V445 PolarHBondContact N-O 3.01Å; C428-V445 PolarHBondContact O-N 2.92Å
429	L	98.9	Very high	97.9	Very high	14 Å²	14	20.8 Å²	20.8	7%	0.073	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	123.1	166.2	-62.6	176.9	0	0	0	108.9	F158 L408 V444 Y495 M496 S499	F158-L429 HydrophobicContact CE2-CD1 4.48Å; F158-L429 HydrophobicContact CE2-CG 4.13Å; F158-L429 HydrophobicContact CZ-CD1 4.47Å; L408-L429 HydrophobicContact CD1-CD1 3.69Å; L408-L429 HydrophobicContact CD1-CD2 3.68Å; L408-L429 HydrophobicContact CD1-CG 4.34Å; L429-V444 HydrophobicContact CD2-CB 3.9Å; L429-V444 HydrophobicContact CD2-CG2 4.04Å; L429-Y495 HydrophobicContact CB-CE1 4.29Å; L429-Y495 HydrophobicContact CD1-CE1 4.33Å; L429-Y495 HydrophobicContact CG-CE1 4.25Å; L429-Y495 PolarHBondContact N-OH 2.87Å; L429-M496 HydrophobicContact CD1-CE 3.7Å; L429-M496 HydrophobicContact CD1-SD 3.84Å; L429-S499 WeakPolarHBondContact CB-OG 3.5Å; L429-S499 WeakPolarHBondContact CD1-OG 3.36Å
430	F	98.8	Very high	97.8	Very high	13 Å²	13	21 Å²	21	6%	0.057	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	130.9	-172.8	-177.4	-110.2	0	0	0	111.9	E153 V155 M243 V246 F247 P432 Y443	E153-F430 HydrophobicContact CB-CE2 4.34Å; E153-F430 HydrophobicContact CB-CZ 4.05Å; E153-F430 HydrophobicContact CG-CZ 4.42Å; E153-F430 WeakPolarHBondContact OE2-CZ 3.42Å; V155-F430 HydrophobicContact CG2-CD2 4.21Å; V155-F430 HydrophobicContact CG2-CE2 4.12Å; M243-F430 HydrophobicContact CG-CD1 4.19Å; M243-F430 HydrophobicContact CG-CE1 4.04Å; M243-F430 HydrophobicContact SD-CD1 4.26Å; V246-F430 HydrophobicContact CB-CZ 4.47Å; V246-F430 HydrophobicContact CG1-CE1 4.07Å; V246-F430 HydrophobicContact CG1-CE2 4.23Å; V246-F430 HydrophobicContact CG1-CZ 3.79Å; V246-F430 HydrophobicContact CG2-CZ 4.24Å; F247-F430 HydrophobicContact CE2-CB 4.5Å; F247-F430 AromaticContact CE2-CD1 3.78Å; F247-F430 HydrophobicContact CE2-CD1 3.78Å; F247-F430 HydrophobicContact CE2-CE1 4.28Å; F247-F430 HydrophobicContact CE2-CG 4.21Å; F247-F430 HydrophobicContact CZ-CB 3.98Å; F247-F430 AromaticContact CZ-CD1 3.98Å; F247-F430 HydrophobicContact CZ-CD1 3.98Å; F247-F430 AromaticContact CZ-CG 3.93Å; F247-F430 HydrophobicContact CZ-CG 3.93Å; F430-P432 HydrophobicContact CD1-CB 4.36Å; F430-P432 HydrophobicContact CE1-CB 3.73Å; F430-P432 HydrophobicContact CZ-CB 4.48Å; F430-Y443 PolarHBondContact N-O 2.98Å; F430-Y443 PolarHBondContact O-N 3.39Å
431	K	98.6	Very high	97.7	Very high	53 Å²	53	21.2 Å²	21.2	23%	0.23	10%	0.104	C	C	.	.			trans	-107.3	105.6	170.2	-175.1	-177.4	-175.1	77.7	0	108.4	S435 R436 N439 E441 R442	K431-S435 PolarHBondContact NZ-OG 2.92Å; K431-R436 WeakPolarHBondContact CE-O 3.22Å; K431-R436 PolarHBondContact NZ-O 2.81Å; K431-N439 PolarHBondContact NZ-O 2.99Å; K431-N439 PolarHBondContact NZ-OD1 3.1Å; K431-E441 WeakPolarHBondContact CG-O 3.46Å; K431-E441 PolarHBondContact NZ-O 3Å; K431-R442 HydrophobicContact CB-CB 4.32Å
432	P	98.3	Very high	97.7	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.006	10%	0.104	C	C	.	.			trans	-66.8	151.8	176.2	28.4	-34.9	0	0	0	110.9	E153 N242 M243 F430 T434 S435 Y443	E153-P432 WeakPolarHBondContact OE2-CA 3.43Å; N242-P432 WeakPolarHBondContact OD1-CB 3.31Å; M243-P432 HydrophobicContact CG-CB 3.9Å; M243-P432 HydrophobicContact CG-CG 4.1Å; M243-P432 HydrophobicContact SD-CB 4.21Å; M243-P432 HydrophobicContact SD-CG 3.75Å; F430-P432 HydrophobicContact CD1-CB 4.36Å; F430-P432 HydrophobicContact CE1-CB 3.73Å; F430-P432 HydrophobicContact CZ-CB 4.48Å; P432-T434 PolarHBondContact O-N 3.06Å; P432-T434 VanDerWaalsContact O-N 3.13Å; P432-S435 WeakPolarHBondContact O-CA 3.36Å; P432-S435 VanDerWaalsContact O-CB 3.23Å; P432-S435 WeakPolarHBondContact O-CB 3.45Å; P432-S435 PolarHBondContact O-N 3.1Å; P432-Y443 HydrophobicContact CG-CD2 4.04Å; P432-Y443 HydrophobicContact CG-CE2 4.18Å
433	I	98.1	Very high	97.7	Very high	23 Å²	23	21.2 Å²	21.2	12%	0.118	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-16.3	175.5	62.4	-177.6	0	0	0	113.6	E153 Y224 S435 W539	E153-I433 HydrophobicContact CG-CD1 4.28Å; E153-I433 HydrophobicContact CG-CG1 4.37Å; E153-I433 HydrophobicContact CG-CG2 3.79Å; E153-I433 PolarHBondContact OE2-N 2.98Å; Y224-I433 VanDerWaalsContact CB-O 3.32Å; Y224-I433 WeakPolarHBondContact CB-O 3.44Å; Y224-I433 HydrophobicContact CD1-CB 3.89Å; Y224-I433 HydrophobicContact CD1-CD1 3.85Å; Y224-I433 HydrophobicContact CD1-CG1 4.14Å; Y224-I433 HydrophobicContact CD2-CB 3.8Å; Y224-I433 HydrophobicContact CD2-CG2 4.32Å; Y224-I433 WeakPolarHBondContact CD2-O 3.26Å; Y224-I433 HydrophobicContact CE1-CB 3.91Å; Y224-I433 HydrophobicContact CE1-CD1 3.74Å; Y224-I433 HydrophobicContact CE1-CG1 4.3Å; Y224-I433 HydrophobicContact CE1-CG2 4.07Å; Y224-I433 HydrophobicContact CE2-CB 3.79Å; Y224-I433 HydrophobicContact CE2-CG2 3.79Å; Y224-I433 HydrophobicContact CG-CB 3.85Å; Y224-I433 HydrophobicContact CG-CG1 4.43Å; I433-S435 VanDerWaalsContact C-N 3.31Å; I433-W539 HydrophobicContact CD1-CH2 4.22Å; I433-W539 HydrophobicContact CD1-CZ2 3.86Å; I433-W539 HydrophobicContact CG1-CH2 4.12Å; I433-W539 HydrophobicContact CG1-CZ2 3.99Å
434	T	97.6	Very high	97.7	Very high	24 Å²	24	21.2 Å²	21.2	15%	0.147	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-9.9	169.1	46.3	0	0	0	0	114.1	I227 M238 K239 N242 P432 W539	I227-T434 HydrophobicContact CD1-CG2 4.35Å; I227-T434 HydrophobicContact CG2-CG2 4.25Å; M238-T434 HydrophobicContact CB-CG2 4.4Å; K239-T434 WeakPolarHBondContact CA-OG1 3.09Å; N242-T434 HydrophobicContact CB-CG2 4.04Å; N242-T434 WeakPolarHBondContact OD1-CG2 3.29Å; N242-T434 PolarHBondContact OD1-N 2.72Å; N242-T434 PolarHBondContact OD1-OG1 2.89Å; P432-T434 PolarHBondContact O-N 3.06Å; P432-T434 VanDerWaalsContact O-N 3.13Å; T434-W539 HydrophobicContact CG2-CH2 3.57Å; T434-W539 HydrophobicContact CG2-CZ3 3.79Å
435	S	96.9	Very high	97.7	Very high	3 Å²	3	21.2 Å²	21.2	2%	0.021	10%	0.104	C	C	.	.	S	Bend	trans	-83.4	141.1	161.2	-170.4	0	0	0	0	109.6	K431 P432 I433 N439 E441	K431-S435 PolarHBondContact NZ-OG 2.92Å; P432-S435 WeakPolarHBondContact O-CA 3.36Å; P432-S435 VanDerWaalsContact O-CB 3.23Å; P432-S435 WeakPolarHBondContact O-CB 3.45Å; P432-S435 PolarHBondContact O-N 3.1Å; I433-S435 VanDerWaalsContact C-N 3.31Å; S435-N439 PolarHBondContact OG-OD1 3.15Å; S435-E441 VanDerWaalsContact CB-OE1 3.29Å; S435-E441 WeakPolarHBondContact CB-OE1 3.49Å; S435-E441 PolarHBondContact OG-O 3.03Å; S435-E441 PolarHBondContact OG-OE1 3.5Å
436	R	96.3	Very high	97.7	Very high	31 Å²	31	17.8 Å²	17.8	12%	0.117	9%	0.088	C	C	.	.			trans	-70.2	133.8	-174.5	-75.6	168.5	167.7	158.2	-6.1	110.1	R218 E225 K431 A438 N439	R218-R436 VanDerWaalsContact NH1-CZ 3.3Å; R218-R436 VanDerWaalsContact NH2-NH2 3.2Å; E225-R436 IonicContact OE1-CZ 2.84Å; E225-R436 IonicContact OE1-NE 3.58Å; E225-R436 PolarHBondContact OE1-NE 3.42Å; E225-R436 IonicContact OE1-NH2 2.8Å; E225-R436 PolarHBondContact OE1-NH2 2.89Å; E225-R436 IonicContact OE2-NE 2.6Å; K431-R436 WeakPolarHBondContact CE-O 3.22Å; K431-R436 PolarHBondContact NZ-O 2.81Å; R436-A438 VanDerWaalsContact C-N 3.29Å; R436-A438 PolarHBondContact O-N 3.09Å; R436-N439 PolarHBondContact O-N 3.01Å; R436-N439 PolarHBondContact O-OD1 3.11Å
437	P	96	Very high	97.7	Very high	45 Å²	45	17.8 Å²	17.8	29%	0.292	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-30.3	-169	23.7	-34.5	0	0	0	113.9	N222 A510	N222-P437 HydrophobicContact CB-CG 4.41Å; P437-A510 HydrophobicContact CB-CB 3.83Å; P437-A510 HydrophobicContact CG-CB 4.34Å
438	A	95	Very high	97.7	Very high	13 Å²	13	17.9 Å²	17.9	11%	0.107	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-4.9	-176.6	0	0	0	0	0	115.7	R436 Q507 A510 L511 I514	R436-A438 VanDerWaalsContact C-N 3.29Å; R436-A438 PolarHBondContact O-N 3.09Å; A438-Q507 WeakPolarHBondContact O-CG 3.48Å; A438-Q507 PolarHBondContact O-NE2 3.33Å; A438-A510 HydrophobicContact CB-CB 3.96Å; A438-L511 HydrophobicContact CB-CD2 3.96Å; A438-L511 HydrophobicContact CB-CG 4.11Å; A438-I514 HydrophobicContact CB-CD1 3.4Å
439	N	94.4	Very high	97.7	Very high	50 Å²	50	18.1 Å²	18.1	27%	0.267	9%	0.092	S	C	.	.	S	Bend	trans	-98.7	157.6	177.3	76.9	0.3	0	0	0	111.7	K431 S435 R436 E441	K431-N439 PolarHBondContact NZ-O 2.99Å; K431-N439 PolarHBondContact NZ-OD1 3.1Å; S435-N439 PolarHBondContact OG-OD1 3.15Å; R436-N439 PolarHBondContact O-N 3.01Å; R436-N439 PolarHBondContact O-OD1 3.11Å; N439-E441 PolarHBondContact O-N 2.92Å; N439-E441 VanDerWaalsContact O-N 3.16Å; N439-E441 WeakPolarHBondContact OD1-CB 3.48Å; N439-E441 PolarHBondContact OD1-N 3.06Å
440	S	96.8	Very high	97.7	Very high	6 Å²	6	19.5 Å²	19.5	4%	0.042	10%	0.098	C	C	.	.			trans	-72.5	-3.8	-179.6	-51.6	0	0	0	0	114.1	K203 F406 D407 R442 H503 Q507	K203-S440 WeakPolarHBondContact CE-OG 3.28Å; K203-S440 PolarHBondContact NZ-OG 3.01Å; F406-S440 CarbonylContact C-O 3.59Å; F406-S440 WeakPolarHBondContact CA-O 3.23Å; F406-S440 VanDerWaalsContact O-O 3.13Å; D407-S440 VanDerWaalsContact CG-CB 3.4Å; D407-S440 VanDerWaalsContact OD1-CB 3.31Å; D407-S440 WeakPolarHBondContact OD1-CB 3.36Å; D407-S440 PolarHBondContact OD1-OG 2.69Å; D407-S440 WeakPolarHBondContact OD2-CB 3.29Å; D407-S440 PolarHBondContact OD2-OG 3.17Å; S440-R442 PolarHBondContact O-N 3.26Å; S440-H503 WeakPolarHBondContact CA-NE2 3.43Å; S440-Q507 VanDerWaalsContact N-NE2 3.17Å; S440-Q507 PolarHBondContact OG-NE2 2.83Å
441	E	97.5	Very high	97.7	Very high	5 Å²	5	24.2 Å²	24.2	2%	0.023	13%	0.127	C	C	.	.			trans	-61.3	127.3	-174.7	-176.2	-172.4	84.2	0	0	111.1	K239 K404 T405 K431 S435 N439 Y443	K239-E441 WeakPolarHBondContact CE-OE1 3.28Å; K239-E441 IonicContact NZ-OE1 3.93Å; K239-E441 PolarHBondContact NZ-OE1 2.72Å; K239-E441 IonicContact NZ-OE2 2.76Å; K239-E441 PolarHBondContact NZ-OE2 2.72Å; K404-E441 HydrophobicContact CD-CG 3.7Å; K404-E441 VanDerWaalsContact CD-OE2 3.3Å; K404-E441 WeakPolarHBondContact CD-OE2 3.39Å; K404-E441 HydrophobicContact CG-CG 3.93Å; T405-E441 WeakPolarHBondContact O-CA 3.02Å; K431-E441 WeakPolarHBondContact CG-O 3.46Å; K431-E441 PolarHBondContact NZ-O 3Å; S435-E441 VanDerWaalsContact CB-OE1 3.29Å; S435-E441 WeakPolarHBondContact CB-OE1 3.49Å; S435-E441 PolarHBondContact OG-O 3.03Å; S435-E441 PolarHBondContact OG-OE1 3.5Å; N439-E441 PolarHBondContact O-N 2.92Å; N439-E441 VanDerWaalsContact O-N 3.16Å; N439-E441 WeakPolarHBondContact OD1-CB 3.48Å; N439-E441 PolarHBondContact OD1-N 3.06Å; E441-Y443 HydrophobicContact CG-CE2 4.27Å
442	R	98.1	Very high	97.6	Very high	4 Å²	4	23.8 Å²	23.8	2%	0.015	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	171.1	170.1	66.1	-173.7	83.7	165.5	11.9	109	T405 F406 D407 K431 S440 N500 H503	T405-R442 HydrophobicContact CG2-CG 3.61Å; T405-R442 PolarHBondContact N-O 3.21Å; T405-R442 PolarHBondContact O-N 2.9Å; F406-R442 PolarHBondContact O-NE 2.87Å; D407-R442 IonicContact OD1-NH2 2.66Å; K431-R442 HydrophobicContact CB-CB 4.32Å; S440-R442 PolarHBondContact O-N 3.26Å; R442-N500 PolarHBondContact NH1-OD1 3.04Å; R442-H503 PolarHBondContact NE-ND1 2.83Å; R442-H503 PolarHBondContact NH2-CD2 2.87Å; R442-H503 VanDerWaalsContact NH2-CG 3.31Å
443	Y	98.8	Very high	97.6	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	131	179.4	-70.4	-92.6	0	0	0	109.9	K239 M243 F283 D364 I402 C403 K404 F430 P432 E441	K239-Y443 HydrophobicContact CD-CE2 4.09Å; K239-Y443 VanDerWaalsContact CD-OH 3.26Å; K239-Y443 WeakPolarHBondContact CD-OH 3.32Å; K239-Y443 PolarHBondContact NZ-OH 3.4Å; K239-Y443 VanDerWaalsContact NZ-OH 3.1Å; M243-Y443 HydrophobicContact CE-CD1 3.95Å; M243-Y443 HydrophobicContact CE-CD2 3.96Å; M243-Y443 HydrophobicContact CE-CE1 4.09Å; M243-Y443 HydrophobicContact CE-CE2 4.09Å; M243-Y443 HydrophobicContact CE-CG 3.91Å; M243-Y443 HydrophobicContact SD-CD1 4.36Å; M243-Y443 HydrophobicContact SD-CD2 3.74Å; M243-Y443 HydrophobicContact SD-CE2 4.39Å; M243-Y443 HydrophobicContact SD-CG 3.75Å; F283-Y443 HydrophobicContact CE2-CE1 4.29Å; F283-Y443 AromaticContact CZ-CE1 3.88Å; F283-Y443 HydrophobicContact CZ-CE1 3.88Å; D364-Y443 PolarHBondContact OD1-OH 3.28Å; I402-Y443 HydrophobicContact CD1-CD1 4.23Å; I402-Y443 HydrophobicContact CD1-CG 4.46Å; I402-Y443 HydrophobicContact CG1-CD1 3.91Å; I402-Y443 HydrophobicContact CG1-CG 4.42Å; C403-Y443 CarbonylContact O-C 3.55Å; C403-Y443 VanDerWaalsContact O-CA 3.28Å; C403-Y443 WeakPolarHBondContact O-CA 2.97Å; K404-Y443 HydrophobicContact CB-CD1 4.11Å; K404-Y443 HydrophobicContact CB-CE1 3.58Å; K404-Y443 HydrophobicContact CG-CE1 4.36Å; F430-Y443 PolarHBondContact N-O 2.98Å; F430-Y443 PolarHBondContact O-N 3.39Å; P432-Y443 HydrophobicContact CG-CD2 4.04Å; P432-Y443 HydrophobicContact CG-CE2 4.18Å; E441-Y443 HydrophobicContact CG-CE2 4.27Å
444	V	98.8	Very high	97.6	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	130.3	161	64.2	0	0	0	0	107.8	F388 I402 C403 L420 V427 C428 L429	F388-V444 HydrophobicContact CE1-CG1 3.72Å; F388-V444 HydrophobicContact CZ-CG1 3.72Å; I402-V444 WeakPolarHBondContact CA-O 3.48Å; C403-V444 HydrophobicContact CB-CG1 3.78Å; C403-V444 PolarHBondContact N-O 3.02Å; C403-V444 PolarHBondContact O-N 3.34Å; L420-V444 HydrophobicContact CD1-CG1 4.16Å; L420-V444 HydrophobicContact CD1-CG2 4.15Å; V427-V444 HydrophobicContact CG1-CG2 3.7Å; C428-V444 WeakPolarHBondContact O-CA 3.22Å; L429-V444 HydrophobicContact CD2-CB 3.9Å; L429-V444 HydrophobicContact CD2-CG2 4.04Å
445	V	98.9	Very high	97.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	120.9	-175.1	-179.1	0	0	0	0	108.1	F247 M250 F251 I402 V427 C428	F247-V445 HydrophobicContact CD1-CG1 4.11Å; F247-V445 HydrophobicContact CD2-CG1 4.2Å; F247-V445 HydrophobicContact CE1-CB 4.32Å; F247-V445 HydrophobicContact CE1-CG1 3.91Å; F247-V445 HydrophobicContact CE2-CB 4.34Å; F247-V445 HydrophobicContact CE2-CG1 4.06Å; F247-V445 HydrophobicContact CE2-CG2 3.78Å; F247-V445 HydrophobicContact CG-CG1 4.26Å; F247-V445 HydrophobicContact CZ-CB 4Å; F247-V445 HydrophobicContact CZ-CG1 3.92Å; F247-V445 HydrophobicContact CZ-CG2 3.78Å; M250-V445 HydrophobicContact CE-CG1 3.33Å; F251-V445 HydrophobicContact CZ-CG1 4.2Å; I402-V445 HydrophobicContact CD1-CG2 3.79Å; I402-V445 HydrophobicContact CG1-CG2 3.98Å; V427-V445 CarbonylContact C-O 3.47Å; V427-V445 VanDerWaalsContact CA-O 3.31Å; V427-V445 WeakPolarHBondContact CA-O 3.31Å; C428-V445 PolarHBondContact N-O 3.01Å; C428-V445 PolarHBondContact O-N 2.92Å
446	C	98.9	Very high	97.8	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	131.8	-173.5	-43.4	0	0	0	0	109.8	H400 F401 F424 R426 V427	H400-C446 CarbonylContact C-O 3.6Å; H400-C446 WeakPolarHBondContact CA-O 3.32Å; F401-C446 HydrophobicContact CB-CB 4.19Å; F401-C446 PolarHBondContact N-O 3.27Å; F401-C446 PolarHBondContact O-N 3.26Å; F424-C446 HydrophobicContact CB-CB 4.05Å; F424-C446 HydrophobicContact CD1-CB 3.49Å; F424-C446 VanDerWaalsContact CD1-CB 3.49Å; F424-C446 HydrophobicContact CD2-CB 3.73Å; F424-C446 HydrophobicContact CE1-CB 3.72Å; F424-C446 HydrophobicContact CE2-CB 3.95Å; F424-C446 HydrophobicContact CG-CB 3.49Å; F424-C446 VanDerWaalsContact CG-CB 3.49Å; F424-C446 HydrophobicContact CZ-CB 3.94Å; R426-C446 CarbonylContact O-C 3.56Å; R426-C446 WeakPolarHBondContact O-CA 3.5Å; V427-C446 HydrophobicContact CG2-CB 4.11Å
447	K	98.6	Very high	97.9	Very high	89 Å²	89	27.7 Å²	27.7	39%	0.387	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	133.5	-175.9	-178.7	-176.8	174.8	-174.8	0	109.2	W157 M250 E425 R426	W157-K447 HydrophobicContact CH2-CB 4.26Å; W157-K447 HydrophobicContact CH2-CD 4.47Å; W157-K447 HydrophobicContact CZ3-CB 4.29Å; M250-K447 HydrophobicContact SD-CB 4.21Å; M250-K447 HydrophobicContact SD-CD 4.13Å; M250-K447 HydrophobicContact SD-CG 4.11Å; E425-K447 WeakPolarHBondContact CB-O 3.26Å; E425-K447 PolarHBondContact N-O 3.3Å; E425-K447 VanDerWaalsContact N-O 3.16Å; R426-K447 PolarHBondContact N-O 2.73Å; R426-K447 VanDerWaalsContact N-O 3.07Å; R426-K447 PolarHBondContact O-N 3.42Å
448	G	98.3	Very high	98	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.01	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	68.3	82.6	177.6	0	0	0	0	0	113.8	G399 H400 F424 E425 K450	G399-G448 CarbonylContact O-C 3.57Å; G399-G448 WeakPolarHBondContact O-CA 3.47Å; G399-G448 PolarHBondContact O-N 3.45Å; G399-G448 VanDerWaalsContact O-N 3.11Å; H400-G448 PolarHBondContact ND1-N 3.18Å; F424-G448 CarbonylContact C-O 3.55Å; F424-G448 VanDerWaalsContact CA-O 3.31Å; F424-G448 WeakPolarHBondContact CA-O 3.31Å; E425-G448 WeakPolarHBondContact CG-O 3.28Å; E425-G448 PolarHBondContact N-O 2.62Å; G448-K450 PolarHBondContact O-N 2.98Å
449	L	98.7	Very high	98.2	Very high	5 Å²	5	30.2 Å²	30.2	3%	0.026	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	123.3	172.8	-175.4	73	0	0	0	110.2	L392 V395 T397 G398 G399 C423 F424 I453	L392-L449 HydrophobicContact CD2-CD1 3.69Å; V395-L449 HydrophobicContact CB-CD2 4.2Å; V395-L449 HydrophobicContact CG1-CB 4.33Å; V395-L449 HydrophobicContact CG1-CD2 4.27Å; V395-L449 VanDerWaalsContact O-CD2 3.26Å; V395-L449 WeakPolarHBondContact O-CD2 3.34Å; T397-L449 WeakPolarHBondContact CA-O 3.45Å; G398-L449 PolarHBondContact N-O 2.87Å; G399-L449 PolarHBondContact O-N 3.33Å; C423-L449 HydrophobicContact CB-CD1 4.44Å; F424-L449 HydrophobicContact CD1-CB 4.07Å; F424-L449 HydrophobicContact CD1-CD1 4.31Å; F424-L449 HydrophobicContact CD2-CD1 3.97Å; F424-L449 HydrophobicContact CE1-CB 3.73Å; F424-L449 HydrophobicContact CE1-CD1 3.92Å; F424-L449 HydrophobicContact CE1-CG 4.44Å; F424-L449 HydrophobicContact CE2-CD1 3.54Å; F424-L449 HydrophobicContact CG-CD1 4.35Å; F424-L449 HydrophobicContact CZ-CB 4.18Å; F424-L449 HydrophobicContact CZ-CD1 3.52Å; F424-L449 HydrophobicContact CZ-CG 4.41Å; L449-I453 HydrophobicContact CD1-CG1 4.19Å; L449-I453 HydrophobicContact CD1-CG2 4.27Å; L449-I453 HydrophobicContact CD2-CG1 4.23Å; L449-I453 HydrophobicContact CG-CG1 4.27Å
450	K	98.4	Very high	98.4	Very high	44 Å²	44	28 Å²	28	19%	0.191	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-68	169.3	178.8	-63.1	-177.8	-174	170.4	0	111.8	C161 I165 C422 C423 F424 G448 I453	C161-K450 PolarHBondContact SG-NZ 3.14Å; I165-K450 HydrophobicContact CD1-CB 3.82Å; I165-K450 HydrophobicContact CD1-CD 4.06Å; I165-K450 HydrophobicContact CG1-CD 4.25Å; C422-K450 VanDerWaalsContact O-CD 3.3Å; C422-K450 WeakPolarHBondContact O-CD 3.29Å; C422-K450 VanDerWaalsContact O-CE 3.32Å; C422-K450 WeakPolarHBondContact O-CE 3.34Å; C422-K450 PolarHBondContact O-NZ 2.84Å; C423-K450 WeakPolarHBondContact O-CB 3.09Å; C423-K450 PolarHBondContact O-N 3.19Å; F424-K450 WeakPolarHBondContact O-CE 3.44Å; G448-K450 PolarHBondContact O-N 2.98Å; K450-I453 HydrophobicContact CB-CG2 4.43Å
451	V	98	Very high	98.5	Very high	111 Å²	111	30.2 Å²	30.2	67%	0.673	16%	0.163	S	C	*	.	S	Bend	trans	-85.9	150.3	169.6	179.6	0	0	0	0	109	I165 T397	I165-V451 WeakPolarHBondContact CD1-O 3.24Å; T397-V451 HydrophobicContact CG2-CG2 3.46Å; T397-V451 VanDerWaalsContact CG2-CG2 3.46Å
452	G	97.1	Very high	98.6	Very high	44 Å²	44	32.5 Å²	32.5	45%	0.454	18%	0.182	S	C	.	.			trans	88.1	14.8	174.1	0	0	0	0	0	115.2	D454	G452-D454 PolarHBondContact O-N 2.83Å
453	I	98.4	Very high	98.6	Very high	13 Å²	13	32.3 Å²	32.3	7%	0.067	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	4.7	-178.6	57.8	67	0	0	0	114.6	I165 L392 C423 L449 K450 D455 V456 R457	I165-I453 HydrophobicContact CD1-CG2 3.92Å; L392-I453 HydrophobicContact CB-CD1 4.38Å; L392-I453 WeakPolarHBondContact O-CD1 3.42Å; C423-I453 HydrophobicContact CB-CG2 3.72Å; L449-I453 HydrophobicContact CD1-CG1 4.19Å; L449-I453 HydrophobicContact CD1-CG2 4.27Å; L449-I453 HydrophobicContact CD2-CG1 4.23Å; L449-I453 HydrophobicContact CG-CG1 4.27Å; K450-I453 HydrophobicContact CB-CG2 4.43Å; I453-D455 PolarHBondContact O-N 3.34Å; I453-V456 PolarHBondContact O-N 3.16Å; I453-R457 PolarHBondContact O-N 3.47Å; I453-R457 VanDerWaalsContact O-N 3.09Å
454	D	98.6	Very high	98.6	Very high	73 Å²	73	32.3 Å²	32.3	39%	0.39	18%	0.182	S	C	.	.	H	α-helix	trans	-61.9	-43.2	-171.8	-74.4	-94.9	0	0	0	112.7	G452 V456 R457 D458	G452-D454 PolarHBondContact O-N 2.83Å; D454-V456 PolarHBondContact O-N 3.47Å; D454-R457 WeakPolarHBondContact O-CB 3.06Å; D454-R457 PolarHBondContact O-N 3.17Å; D454-R457 IonicContact OD1-CZ 2.8Å; D454-R457 VanDerWaalsContact OD1-CZ 3.27Å; D454-R457 IonicContact OD1-NH1 3.42Å; D454-R457 PolarHBondContact OD1-NH1 3.19Å; D454-R457 IonicContact OD1-NH2 3.64Å; D454-R457 PolarHBondContact OD1-NH2 3Å; D454-D458 PolarHBondContact O-N 3.3Å
455	D	98.8	Very high	98.6	Very high	54 Å²	54	35.1 Å²	35.1	29%	0.289	20%	0.196	S	C	.	.	H	α-helix	trans	-63.7	-41.6	179.6	-74.3	36.7	0	0	0	111.5	T168 M171 I453 D458 Y459	T168-D455 WeakPolarHBondContact CB-OD2 3.34Å; T168-D455 PolarHBondContact N-OD2 2.93Å; T168-D455 PolarHBondContact OG1-OD2 3.37Å; M171-D455 HydrophobicContact CE-CB 3.99Å; I453-D455 PolarHBondContact O-N 3.34Å; D455-D458 PolarHBondContact O-N 3.32Å; D455-Y459 VanDerWaalsContact O-CB 3.29Å; D455-Y459 WeakPolarHBondContact O-CB 3.27Å; D455-Y459 PolarHBondContact O-N 2.74Å
456	V	98.9	Very high	98.6	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-67.5	-38	177.2	-177.8	0	0	0	0	111.3	I165 M171 L392 L419 I453 D454 L460	I165-V456 HydrophobicContact CG2-CG2 3.77Å; M171-V456 HydrophobicContact CE-CB 4.41Å; M171-V456 HydrophobicContact CE-CG2 3.87Å; M171-V456 HydrophobicContact SD-CG2 4.01Å; L392-V456 HydrophobicContact CD1-CB 4.22Å; L392-V456 HydrophobicContact CD1-CG1 3.72Å; L419-V456 HydrophobicContact CB-CG1 4.15Å; L419-V456 HydrophobicContact CD1-CG1 4.43Å; L419-V456 HydrophobicContact CD2-CG1 3.95Å; L419-V456 HydrophobicContact CG-CG1 4.4Å; I453-V456 PolarHBondContact O-N 3.16Å; D454-V456 PolarHBondContact O-N 3.47Å; V456-L460 WeakPolarHBondContact O-CG 3.33Å; V456-L460 PolarHBondContact O-N 3.21Å
457	R	98.8	Very high	98.6	Very high	25 Å²	25	38.4 Å²	38.4	9%	0.094	21%	0.211	C	C	.	.	H	α-helix	trans	-60.3	-48.8	172.2	178.4	-159.6	63.5	-130.1	-8.4	110.6	L389 L392 I453 D454 L460 F461	L389-R457 HydrophobicContact CD1-CG 3.93Å; L389-R457 WeakPolarHBondContact CD1-O 3.45Å; L392-R457 HydrophobicContact CB-CB 3.96Å; L392-R457 HydrophobicContact CB-CG 4.3Å; I453-R457 PolarHBondContact O-N 3.47Å; I453-R457 VanDerWaalsContact O-N 3.09Å; D454-R457 WeakPolarHBondContact O-CB 3.06Å; D454-R457 PolarHBondContact O-N 3.17Å; D454-R457 IonicContact OD1-CZ 2.8Å; D454-R457 VanDerWaalsContact OD1-CZ 3.27Å; D454-R457 IonicContact OD1-NH1 3.42Å; D454-R457 PolarHBondContact OD1-NH1 3.19Å; D454-R457 IonicContact OD1-NH2 3.64Å; D454-R457 PolarHBondContact OD1-NH2 3Å; R457-L460 PolarHBondContact O-N 3.07Å; R457-F461 WeakPolarHBondContact O-CB 3.41Å; R457-F461 PolarHBondContact O-N 3.14Å
458	D	98.8	Very high	98.6	Very high	82 Å²	82	36 Å²	36	44%	0.439	20%	0.202	S	C	.	.	H	α-helix	trans	-73.2	-32.8	-173.8	-66.4	-15.9	0	0	0	111.4	D454 D455 F461 A462	D454-D458 PolarHBondContact O-N 3.3Å; D455-D458 PolarHBondContact O-N 3.32Å; D458-F461 PolarHBondContact O-N 2.95Å; D458-A462 PolarHBondContact O-N 2.73Å
459	Y	98.9	Very high	98.6	Very high	29 Å²	29	41.8 Å²	41.8	11%	0.114	23%	0.229	C	C	.	.	H	α-helix	trans	-57.2	-55.3	165.7	174.2	-98.8	0	0	0	111.8	M171 W174 M175 L419 D455 F461 A462 V463 V480	M171-Y459 HydrophobicContact CB-CD2 3.84Å; M171-Y459 HydrophobicContact CB-CE2 4.12Å; M171-Y459 HydrophobicContact CB-CG 4.27Å; M171-Y459 HydrophobicContact CE-CG 4.46Å; M171-Y459 WeakPolarHBondContact O-CE2 3.35Å; M171-Y459 HydrophobicContact SD-CD1 4Å; M171-Y459 HydrophobicContact SD-CD2 4.39Å; M171-Y459 HydrophobicContact SD-CG 3.86Å; W174-Y459 HydrophobicContact CB-CE2 4.36Å; M175-Y459 WeakPolarHBondContact CA-OH 3.43Å; M175-Y459 HydrophobicContact CB-CE2 4.19Å; M175-Y459 WeakPolarHBondContact CB-OH 3.44Å; M175-Y459 PolarHBondContact N-OH 2.91Å; L419-Y459 HydrophobicContact CD1-CD1 4.4Å; L419-Y459 HydrophobicContact CD1-CE1 4.26Å; D455-Y459 VanDerWaalsContact O-CB 3.29Å; D455-Y459 WeakPolarHBondContact O-CB 3.27Å; D455-Y459 PolarHBondContact O-N 2.74Å; Y459-F461 PolarHBondContact O-N 3.21Å; Y459-A462 WeakPolarHBondContact O-CA 3.43Å; Y459-A462 WeakPolarHBondContact O-CB 3.47Å; Y459-A462 PolarHBondContact O-N 2.73Å; Y459-V463 HydrophobicContact CD1-CG2 4.16Å; Y459-V463 HydrophobicContact CE1-CG2 3.68Å; Y459-V463 HydrophobicContact CE2-CG2 4.14Å; Y459-V463 WeakPolarHBondContact O-CG2 3.5Å; Y459-V463 PolarHBondContact O-N 3.48Å; Y459-V480 HydrophobicContact CE1-CB 4.33Å; Y459-V480 WeakPolarHBondContact OH-CA 3.27Å; Y459-V480 PolarHBondContact OH-O 2.83Å
460	L	98.9	Very high	98.6	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.01	23%	0.232	C	C	.	.	H	α-helix	trans	-62.6	-31.5	179.5	-72.5	-177.8	0	0	0	112.6	L385 L389 L392 L416 L419 V456 R457 V463 N464	L385-L460 HydrophobicContact CD1-CD2 4.21Å; L385-L460 HydrophobicContact CG-CD2 4.23Å; L389-L460 HydrophobicContact CB-CB 4.19Å; L389-L460 HydrophobicContact CD1-CB 4.02Å; L392-L460 HydrophobicContact CD1-CD1 4.11Å; L416-L460 HydrophobicContact CD2-CD2 3.71Å; L419-L460 HydrophobicContact CD1-CD1 4.42Å; L419-L460 HydrophobicContact CD1-CD2 3.72Å; L419-L460 HydrophobicContact CD1-CG 4.21Å; V456-L460 WeakPolarHBondContact O-CG 3.33Å; V456-L460 PolarHBondContact O-N 3.21Å; R457-L460 PolarHBondContact O-N 3.07Å; L460-V463 PolarHBondContact O-N 3.05Å; L460-N464 PolarHBondContact O-N 3.14Å
461	F	98.9	Very high	98.4	Very high	53 Å²	53	45.2 Å²	45.2	23%	0.232	24%	0.242	C	C	.	.	H	α-helix	trans	-63.7	-43.1	172.4	-167.2	-94	0	0	0	111.6	P339 I342 L389 R457 D458 Y459 N464 I465	P339-F461 HydrophobicContact CB-CE1 4.29Å; P339-F461 HydrophobicContact CB-CE2 4.17Å; P339-F461 HydrophobicContact CB-CZ 3.68Å; I342-F461 HydrophobicContact CB-CE2 4.3Å; I342-F461 HydrophobicContact CG2-CD2 4.23Å; I342-F461 HydrophobicContact CG2-CE2 4.06Å; L389-F461 HydrophobicContact CD1-CB 4.05Å; L389-F461 HydrophobicContact CD2-CB 4.28Å; L389-F461 HydrophobicContact CD2-CD2 4.14Å; R457-F461 WeakPolarHBondContact O-CB 3.41Å; R457-F461 PolarHBondContact O-N 3.14Å; D458-F461 PolarHBondContact O-N 2.95Å; Y459-F461 PolarHBondContact O-N 3.21Å; F461-N464 PolarHBondContact O-N 2.64Å; F461-I465 HydrophobicContact CD1-CD1 3.76Å; F461-I465 HydrophobicContact CE1-CD1 3.65Å; F461-I465 WeakPolarHBondContact O-CG1 3.42Å; F461-I465 PolarHBondContact O-N 3Å; F461-I465 VanDerWaalsContact O-N 3.09Å
462	A	98.8	Very high	98.3	Very high	53 Å²	53	47.5 Å²	47.5	44%	0.438	25%	0.25	S	C	.	.	H	α-helix	trans	-65	-41	174.1	0	0	0	0	0	112.5	D458 Y459 N464 I465 K466	D458-A462 PolarHBondContact O-N 2.73Å; Y459-A462 WeakPolarHBondContact O-CA 3.43Å; Y459-A462 WeakPolarHBondContact O-CB 3.47Å; Y459-A462 PolarHBondContact O-N 2.73Å; A462-N464 PolarHBondContact O-N 2.75Å; A462-I465 WeakPolarHBondContact O-CB 3.48Å; A462-I465 PolarHBondContact O-N 3.39Å; A462-K466 PolarHBondContact O-N 3.12Å
463	V	98.9	Very high	98.3	Very high	1 Å²	1	48 Å²	48	1%	0.006	24%	0.244	C	C	.	.	H	α-helix	trans	-61.4	-42.2	174.5	179.7	0	0	0	0	111.2	M175 L385 Y459 L460 I465 K466 L467 V477 V480	M175-V463 HydrophobicContact CB-CG2 4.44Å; M175-V463 HydrophobicContact CG-CG2 4.08Å; M175-V463 HydrophobicContact SD-CB 4.31Å; M175-V463 HydrophobicContact SD-CG1 4.41Å; M175-V463 HydrophobicContact SD-CG2 3.87Å; L385-V463 HydrophobicContact CD1-CB 4.03Å; L385-V463 HydrophobicContact CD1-CG1 3.45Å; L385-V463 VanDerWaalsContact CD1-CG1 3.45Å; Y459-V463 HydrophobicContact CD1-CG2 4.16Å; Y459-V463 HydrophobicContact CE1-CG2 3.68Å; Y459-V463 HydrophobicContact CE2-CG2 4.14Å; Y459-V463 WeakPolarHBondContact O-CG2 3.5Å; Y459-V463 PolarHBondContact O-N 3.48Å; L460-V463 PolarHBondContact O-N 3.05Å; V463-I465 PolarHBondContact O-N 3.08Å; V463-K466 WeakPolarHBondContact O-CB 3.33Å; V463-K466 PolarHBondContact O-N 2.87Å; V463-K466 VanDerWaalsContact O-N 3.11Å; V463-L467 HydrophobicContact CG1-CD1 4.34Å; V463-L467 PolarHBondContact O-N 3.32Å; V463-V477 HydrophobicContact CG1-CG1 4.07Å; V463-V477 HydrophobicContact CG1-CG2 4.39Å; V463-V480 HydrophobicContact CG1-CG1 3.91Å; V463-V480 HydrophobicContact CG2-CG1 4.47Å
464	N	98.9	Very high	98.3	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-62.4	-41.9	175.4	-179.3	40.9	0	0	0	112.3	T337 I342 Q382 L385 C386 L389 L460 F461 A462 K466 L467 N468	T337-N464 PolarHBondContact O-ND2 3.14Å; T337-N464 PolarHBondContact O-OD1 3.4Å; I342-N464 WeakPolarHBondContact CD1-ND2 3.16Å; Q382-N464 PolarHBondContact NE2-OD1 2.85Å; L385-N464 HydrophobicContact CD2-CB 3.79Å; C386-N464 PolarHBondContact SG-OD1 3.5Å; L389-N464 HydrophobicContact CD2-CB 4.3Å; L460-N464 PolarHBondContact O-N 3.14Å; F461-N464 PolarHBondContact O-N 2.64Å; A462-N464 PolarHBondContact O-N 2.75Å; N464-K466 VanDerWaalsContact C-N 3.26Å; N464-K466 PolarHBondContact O-N 3.36Å; N464-L467 PolarHBondContact O-N 3.36Å; N464-N468 PolarHBondContact O-N 3.36Å; N464-N468 PolarHBondContact O-ND2 3.47Å; N464-N468 VanDerWaalsContact O-ND2 3.15Å; N464-N468 PolarHBondContact OD1-ND2 3.09Å
465	I	98.8	Very high	98.2	Very high	59 Å²	59	49.8 Å²	49.8	30%	0.303	26%	0.256	S	S	.	.	H	α-helix	trans	-58.3	-42.4	172.7	-70.1	167.1	0	0	0	110.2	P339 F461 A462 V463 N468 Q469	P339-I465 HydrophobicContact CB-CG1 4.32Å; P339-I465 HydrophobicContact CG-CG1 3.71Å; F461-I465 HydrophobicContact CD1-CD1 3.76Å; F461-I465 HydrophobicContact CE1-CD1 3.65Å; F461-I465 WeakPolarHBondContact O-CG1 3.42Å; F461-I465 PolarHBondContact O-N 3Å; F461-I465 VanDerWaalsContact O-N 3.09Å; A462-I465 WeakPolarHBondContact O-CB 3.48Å; A462-I465 PolarHBondContact O-N 3.39Å; V463-I465 PolarHBondContact O-N 3.08Å; I465-N468 PolarHBondContact O-N 3.48Å; I465-Q469 WeakPolarHBondContact O-CG 3.43Å; I465-Q469 PolarHBondContact O-N 3.27Å
466	K	98.8	Very high	98.2	Very high	63 Å²	63	47.4 Å²	47.4	27%	0.274	24%	0.244	S	C	.	.	H	α-helix	trans	-65.4	-44.1	178	-170.5	59	172.6	179.9	0	112.6	M175 V177 A462 V463 N464 N468 Q469 L470 V477	M175-K466 HydrophobicContact CE-CB 4.34Å; M175-K466 HydrophobicContact CE-CG 4.08Å; M175-K466 HydrophobicContact SD-CB 3.76Å; M175-K466 HydrophobicContact SD-CG 3.84Å; V177-K466 HydrophobicContact CG2-CG 4.22Å; A462-K466 PolarHBondContact O-N 3.12Å; V463-K466 WeakPolarHBondContact O-CB 3.33Å; V463-K466 PolarHBondContact O-N 2.87Å; V463-K466 VanDerWaalsContact O-N 3.11Å; N464-K466 VanDerWaalsContact C-N 3.26Å; N464-K466 PolarHBondContact O-N 3.36Å; K466-N468 VanDerWaalsContact C-N 3.31Å; K466-N468 PolarHBondContact O-N 3.46Å; K466-Q469 WeakPolarHBondContact O-CB 3.46Å; K466-Q469 PolarHBondContact O-N 3.46Å; K466-Q469 VanDerWaalsContact O-N 3.15Å; K466-L470 HydrophobicContact CD-CD1 4.39Å; K466-L470 HydrophobicContact CD-CG 4.42Å; K466-L470 HydrophobicContact CG-CD1 4.08Å; K466-L470 HydrophobicContact CG-CG 4.49Å; K466-L470 WeakPolarHBondContact O-CG 3.35Å; K466-L470 PolarHBondContact O-N 3.25Å; K466-V477 HydrophobicContact CB-CG2 4.25Å; K466-V477 HydrophobicContact CG-CG2 3.89Å
467	L	98.7	Very high	98.2	Very high	5 Å²	5	47.4 Å²	47.4	3%	0.026	24%	0.244	C	C	.	.	H	α-helix	trans	-57.5	-44.1	173.8	-75.7	170.3	0	0	0	111.4	Q382 L385 F412 V463 N464 Q469 L470 R471 D476 V477	Q382-L467 HydrophobicContact CB-CD1 4.13Å; Q382-L467 HydrophobicContact CG-CB 4.24Å; Q382-L467 HydrophobicContact CG-CD1 3.92Å; L385-L467 HydrophobicContact CD1-CD1 3.97Å; F412-L467 HydrophobicContact CZ-CD1 4.13Å; V463-L467 HydrophobicContact CG1-CD1 4.34Å; V463-L467 PolarHBondContact O-N 3.32Å; N464-L467 PolarHBondContact O-N 3.36Å; L467-Q469 VanDerWaalsContact C-N 3.34Å; L467-Q469 PolarHBondContact O-N 2.84Å; L467-L470 CarbonylContact O-C 3.58Å; L467-L470 PolarHBondContact O-N 3.05Å; L467-L470 VanDerWaalsContact O-N 3.13Å; L467-R471 PolarHBondContact O-N 3.32Å; L467-D476 WeakPolarHBondContact CD2-OD1 3.32Å; L467-V477 HydrophobicContact CD2-CB 3.82Å; L467-V477 HydrophobicContact CD2-CG2 3.87Å; L467-V477 HydrophobicContact CG-CB 4.3Å; L467-V477 HydrophobicContact CG-CG2 4.02Å
468	N	98.5	Very high	98.2	Very high	40 Å²	40	48.5 Å²	48.5	21%	0.214	25%	0.251	C	S	.	.	H	α-helix	trans	-61.2	-38.4	175.4	-77.8	-42.7	0	0	0	113.2	T337 Q382 N464 I465 K466 L470 R471	T337-N468 PolarHBondContact O-ND2 3.22Å; Q382-N468 VanDerWaalsContact NE2-CG 3.31Å; Q382-N468 PolarHBondContact NE2-OD1 2.02Å; N464-N468 PolarHBondContact O-N 3.36Å; N464-N468 PolarHBondContact O-ND2 3.47Å; N464-N468 VanDerWaalsContact O-ND2 3.15Å; N464-N468 PolarHBondContact OD1-ND2 3.09Å; I465-N468 PolarHBondContact O-N 3.48Å; K466-N468 VanDerWaalsContact C-N 3.31Å; K466-N468 PolarHBondContact O-N 3.46Å; N468-L470 VanDerWaalsContact C-N 3.32Å; N468-R471 PolarHBondContact OD1-NE 3.37Å; N468-R471 VanDerWaalsContact OD1-NE 3.16Å; N468-R471 PolarHBondContact OD1-NH1 2.66Å; N468-R471 PolarHBondContact OD1-NH2 3.04Å
469	Q	98.4	Very high	98.2	Very high	122 Å²	122	46.2 Å²	46.2	57%	0.57	24%	0.239	S	C	*	.	H	α-helix	trans	-67.4	-30.4	174.2	-68.7	170.2	7.1	0	0	113.2	I465 K466 L467	I465-Q469 WeakPolarHBondContact O-CG 3.43Å; I465-Q469 PolarHBondContact O-N 3.27Å; K466-Q469 WeakPolarHBondContact O-CB 3.46Å; K466-Q469 PolarHBondContact O-N 3.46Å; K466-Q469 VanDerWaalsContact O-N 3.15Å; L467-Q469 VanDerWaalsContact C-N 3.34Å; L467-Q469 PolarHBondContact O-N 2.84Å
470	L	98.3	Very high	98.2	Very high	18 Å²	18	44.8 Å²	44.8	9%	0.094	23%	0.233	C	C	.	.	H	α-helix	trans	-91.4	-3.6	-177.9	-64.5	178.6	0	0	0	113.7	V177 R180 K466 L467 N468 N472 T473 V477	V177-L470 HydrophobicContact CG1-CD1 3.73Å; V177-L470 HydrophobicContact CG2-CD1 4.12Å; R180-L470 PolarHBondContact NH2-O 2.87Å; K466-L470 HydrophobicContact CD-CD1 4.39Å; K466-L470 HydrophobicContact CD-CG 4.42Å; K466-L470 HydrophobicContact CG-CD1 4.08Å; K466-L470 HydrophobicContact CG-CG 4.49Å; K466-L470 WeakPolarHBondContact O-CG 3.35Å; K466-L470 PolarHBondContact O-N 3.25Å; L467-L470 CarbonylContact O-C 3.58Å; L467-L470 PolarHBondContact O-N 3.05Å; L467-L470 VanDerWaalsContact O-N 3.13Å; N468-L470 VanDerWaalsContact C-N 3.32Å; L470-N472 PolarHBondContact O-N 2.87Å; L470-T473 WeakPolarHBondContact O-CB 3.43Å; L470-T473 PolarHBondContact O-N 3.37Å; L470-T473 PolarHBondContact O-OG1 3.18Å; L470-V477 HydrophobicContact CD1-CG2 4.19Å
471	R	95.2	Very high	98.2	Very high	102 Å²	102	44.7 Å²	44.7	39%	0.385	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	134.6	173.8	-79.3	179.3	172.4	-176.1	-3	110.6	T337 Q382 L467 N468 T473	T337-R471 VanDerWaalsContact CB-NH2 3.31Å; T337-R471 PolarHBondContact OG1-NH2 3.19Å; Q382-R471 VanDerWaalsContact OE1-CZ 3.32Å; L467-R471 PolarHBondContact O-N 3.32Å; N468-R471 PolarHBondContact OD1-NE 3.37Å; N468-R471 VanDerWaalsContact OD1-NE 3.16Å; N468-R471 PolarHBondContact OD1-NH1 2.66Å; N468-R471 PolarHBondContact OD1-NH2 3.04Å; R471-T473 PolarHBondContact O-N 3.49Å
472	N	95.1	Very high	98.2	Very high	159 Å²	159	42.9 Å²	42.9	85%	0.85	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.7	19.2	-177.8	-48.8	-38.9	0	0	0	115	L470	L470-N472 PolarHBondContact O-N 2.87Å
473	T	97.6	Very high	98.1	Very high	54 Å²	54	42.2 Å²	42.2	33%	0.331	22%	0.215	S	C	.	.	S	Bend	trans	-103.7	165.9	168.9	76.4	0	0	0	0	111.4	R180 L470 R471 S475	R180-T473 PolarHBondContact NE-O 3.41Å; R180-T473 VanDerWaalsContact NE-O 3.1Å; L470-T473 WeakPolarHBondContact O-CB 3.43Å; L470-T473 PolarHBondContact O-N 3.37Å; L470-T473 PolarHBondContact O-OG1 3.18Å; R471-T473 PolarHBondContact O-N 3.49Å; T473-S475 PolarHBondContact O-N 3.48Å; T473-S475 PolarHBondContact OG1-N 3.11Å; T473-S475 PolarHBondContact OG1-O 3.14Å; T473-S475 VanDerWaalsContact OG1-O 3.11Å
474	D	96.8	Very high	98.1	Very high	96 Å²	96	49 Å²	49	51%	0.513	25%	0.247	S	C	.	.	S	Bend	trans	-74.8	3.9	173.3	75.3	-23.3	0	0	0	113.7	K179 R180	K179-D474 WeakPolarHBondContact CA-O 3.48Å; K179-D474 IonicContact NZ-OD2 2.73Å; K179-D474 PolarHBondContact NZ-OD2 3.09Å; R180-D474 PolarHBondContact N-O 2.9Å
475	S	98.1	Very high	98.1	Very high	29 Å²	29	50.8 Å²	50.8	20%	0.203	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	153.4	-174.8	-58.4	0	0	0	0	110.3	G178 R180 T473	G178-S475 CarbonylContact O-C 3.48Å; G178-S475 VanDerWaalsContact O-CA 3.22Å; G178-S475 WeakPolarHBondContact O-CA 3.11Å; R180-S475 PolarHBondContact NH2-O 2.9Å; T473-S475 PolarHBondContact O-N 3.48Å; T473-S475 PolarHBondContact OG1-N 3.11Å; T473-S475 PolarHBondContact OG1-O 3.14Å; T473-S475 VanDerWaalsContact OG1-O 3.11Å
476	D	98.6	Very high	98.1	Very high	4 Å²	4	48 Å²	48	2%	0.021	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	162.3	-178.5	-155.1	36.9	0	0	0	111.4	V177 G178 R180 K381 L467 N478	V177-D476 WeakPolarHBondContact CA-O 3.48Å; G178-D476 PolarHBondContact N-O 2.91Å; G178-D476 PolarHBondContact O-N 3.44Å; R180-D476 HydrophobicContact CB-CB 4.13Å; R180-D476 HydrophobicContact CG-CB 4.42Å; R180-D476 VanDerWaalsContact CZ-CG 3.48Å; R180-D476 IonicContact CZ-OD1 3.38Å; R180-D476 IonicContact CZ-OD2 2.74Å; R180-D476 IonicContact NH1-OD1 3.73Å; R180-D476 PolarHBondContact NH1-OD1 3.15Å; R180-D476 VanDerWaalsContact NH1-OD1 3.13Å; R180-D476 IonicContact NH1-OD2 3.32Å; R180-D476 PolarHBondContact NH1-OD2 3.15Å; R180-D476 VanDerWaalsContact NH2-CG 3.26Å; R180-D476 IonicContact NH2-OD1 3.13Å; R180-D476 PolarHBondContact NH2-OD1 3.04Å; K381-D476 WeakPolarHBondContact CD-OD2 3.35Å; K381-D476 WeakPolarHBondContact CE-OD2 3.27Å; K381-D476 IonicContact NZ-OD2 3.25Å; K381-D476 PolarHBondContact NZ-OD2 3.05Å; L467-D476 WeakPolarHBondContact CD2-OD1 3.32Å; D476-N478 PolarHBondContact O-N 3.13Å
477	V	98.7	Very high	98	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	113.5	169	-177.6	0	0	0	0	108	M175 V177 K381 F412 V463 K466 L467 L470 L479 V480	M175-V477 HydrophobicContact CG-CG1 3.78Å; M175-V477 HydrophobicContact CG-CG2 4.36Å; M175-V477 HydrophobicContact SD-CG2 4.26Å; V177-V477 HydrophobicContact CG2-CG2 4.25Å; K381-V477 WeakPolarHBondContact CE-O 3.38Å; K381-V477 PolarHBondContact NZ-O 3.18Å; F412-V477 HydrophobicContact CD2-CG1 4.45Å; F412-V477 WeakPolarHBondContact CD2-O 3.49Å; F412-V477 HydrophobicContact CE2-CB 4.31Å; F412-V477 HydrophobicContact CE2-CG1 4.11Å; V463-V477 HydrophobicContact CG1-CG1 4.07Å; V463-V477 HydrophobicContact CG1-CG2 4.39Å; K466-V477 HydrophobicContact CB-CG2 4.25Å; K466-V477 HydrophobicContact CG-CG2 3.89Å; L467-V477 HydrophobicContact CD2-CB 3.82Å; L467-V477 HydrophobicContact CD2-CG2 3.87Å; L467-V477 HydrophobicContact CG-CB 4.3Å; L467-V477 HydrophobicContact CG-CG2 4.02Å; L470-V477 HydrophobicContact CD1-CG2 4.19Å; V477-L479 VanDerWaalsContact CG1-O 3.28Å; V477-L479 WeakPolarHBondContact CG1-O 3.46Å; V477-V480 HydrophobicContact CG1-CG1 4.2Å
478	N	98.4	Very high	98	Very high	48 Å²	48	50.9 Å²	50.9	26%	0.257	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	-24.7	-174.6	-69.7	-6.3	0	0	0	112.8	V176 K179 D476	V176-N478 PolarHBondContact O-N 2.68Å; K179-N478 PolarHBondContact O-ND2 2.93Å; D476-N478 PolarHBondContact O-N 3.13Å
479	L	98.8	Very high	98	Very high	33 Å²	33	50.1 Å²	50.1	17%	0.173	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	145.7	172.8	-59.1	171.1	0	0	0	110.6	V176 P411 V477 L483	V176-L479 HydrophobicContact CB-CB 3.93Å; V176-L479 HydrophobicContact CB-CD1 4.14Å; V176-L479 HydrophobicContact CB-CG 4.3Å; V176-L479 HydrophobicContact CG2-CB 4.05Å; V176-L479 HydrophobicContact CG2-CD1 3.93Å; V176-L479 HydrophobicContact CG2-CG 4.48Å; V176-L479 PolarHBondContact N-O 2.58Å; V176-L479 VanDerWaalsContact N-O 3.14Å; V176-L479 PolarHBondContact O-N 3.36Å; P411-L479 HydrophobicContact CB-CD2 3.35Å; P411-L479 HydrophobicContact CG-CD2 4.43Å; V477-L479 VanDerWaalsContact CG1-O 3.28Å; V477-L479 WeakPolarHBondContact CG1-O 3.46Å; L479-L483 HydrophobicContact CD2-CG 4.42Å
480	V	98.8	Very high	98	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.268	C	S	.	.	S	Bend	trans	-120.8	-8.3	169.9	-65.1	0	0	0	0	112.7	F412 L416 Y459 V463 V477	F412-V480 HydrophobicContact CD2-CG1 3.9Å; F412-V480 HydrophobicContact CE2-CG1 3.58Å; F412-V480 HydrophobicContact CZ-CG1 4.3Å; L416-V480 HydrophobicContact CD2-CG2 4Å; L416-V480 HydrophobicContact CG-CG2 3.99Å; Y459-V480 HydrophobicContact CE1-CB 4.33Å; Y459-V480 WeakPolarHBondContact OH-CA 3.27Å; Y459-V480 PolarHBondContact OH-O 2.83Å; V463-V480 HydrophobicContact CG1-CG1 3.91Å; V463-V480 HydrophobicContact CG2-CG1 4.47Å; V477-V480 HydrophobicContact CG1-CG1 4.2Å
481	V	98.8	Very high	97.9	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.29	C	S	.	.	S	Bend	trans	-145.6	136.1	170.1	-176	0	0	0	0	105.2	W174 G415 Y418 L419 V485 I486	W174-V481 HydrophobicContact CD2-CG1 4.47Å; W174-V481 HydrophobicContact CE3-CB 4.09Å; W174-V481 HydrophobicContact CE3-CG1 3.96Å; W174-V481 HydrophobicContact CE3-CG2 3.79Å; W174-V481 HydrophobicContact CH2-CG1 4.24Å; W174-V481 HydrophobicContact CZ3-CB 4.29Å; W174-V481 HydrophobicContact CZ3-CG1 3.84Å; W174-V481 HydrophobicContact CZ3-CG2 3.8Å; G415-V481 WeakPolarHBondContact O-CG2 3.26Å; Y418-V481 HydrophobicContact CD1-CG1 3.91Å; Y418-V481 HydrophobicContact CD1-CG2 4.19Å; Y418-V481 HydrophobicContact CE1-CG1 4.24Å; L419-V481 HydrophobicContact CD1-CG2 4.23Å; L419-V481 HydrophobicContact CD2-CG2 4.05Å; L419-V481 HydrophobicContact CG-CG2 3.81Å; V481-V485 HydrophobicContact CG1-CB 3.93Å; V481-V485 HydrophobicContact CG1-CG1 3.83Å; V481-I486 HydrophobicContact CB-CD1 4.13Å; V481-I486 HydrophobicContact CB-CG1 4.04Å; V481-I486 HydrophobicContact CG1-CD1 4.35Å; V481-I486 HydrophobicContact CG1-CG1 3.72Å
482	P	98.8	Very high	98.1	Very high	15 Å²	15	50.5 Å²	50.5	10%	0.097	27%	0.272	C	S	.	.			trans	-62.8	145.9	176.8	-20.6	31.8	0	0	0	112	W174 E484 V485 I486	W174-P482 HydrophobicContact CB-CG 4.46Å; W174-P482 VanDerWaalsContact CG-CD 3.46Å; W174-P482 HydrophobicContact CG-CG 4.03Å; P482-E484 HydrophobicContact CB-CG 4.02Å; P482-E484 WeakPolarHBondContact CB-OE1 3.34Å; P482-E484 VanDerWaalsContact CB-OE2 3.28Å; P482-E484 WeakPolarHBondContact CB-OE2 3.47Å; P482-E484 PolarHBondContact O-N 3.39Å; P482-V485 HydrophobicContact CB-CG2 4.12Å; P482-V485 HydrophobicContact CG-CG2 4.1Å; P482-V485 PolarHBondContact O-N 3.28Å; P482-V485 VanDerWaalsContact O-N 3.1Å; P482-I486 PolarHBondContact O-N 2.99Å
483	L	98.3	Very high	98.3	Very high	39 Å²	39	43.6 Å²	43.6	20%	0.204	24%	0.235	C	C	.	.	H	α-helix	trans	-63.2	-33.8	-177.7	-87.3	174.3	0	0	0	112.2	E189 F190 P411 L479 V485 I486 K487	E189-L483 HydrophobicContact CG-CD1 4.37Å; F190-L483 HydrophobicContact CE2-CD2 3.73Å; F190-L483 HydrophobicContact CZ-CD2 3.74Å; P411-L483 HydrophobicContact CB-CD2 3.83Å; P411-L483 HydrophobicContact CB-CG 4.24Å; P411-L483 HydrophobicContact CG-CD1 4.29Å; P411-L483 HydrophobicContact CG-CD2 3.91Å; P411-L483 HydrophobicContact CG-CG 4.41Å; L479-L483 HydrophobicContact CD2-CG 4.42Å; L483-V485 VanDerWaalsContact C-N 3.32Å; L483-I486 PolarHBondContact O-N 3.49Å; L483-K487 VanDerWaalsContact O-CB 3.31Å; L483-K487 WeakPolarHBondContact O-CB 3.26Å; L483-K487 WeakPolarHBondContact O-CG 3.31Å; L483-K487 PolarHBondContact O-N 3.21Å
484	E	98.1	Very high	98.3	Very high	142 Å²	142	45.5 Å²	45.5	66%	0.664	24%	0.243	S	C	*	.	H	α-helix	trans	-64.9	-31.6	175.4	61.1	-88.2	-146.9	0	0	113.1	P482 G488	P482-E484 HydrophobicContact CB-CG 4.02Å; P482-E484 WeakPolarHBondContact CB-OE1 3.34Å; P482-E484 VanDerWaalsContact CB-OE2 3.28Å; P482-E484 WeakPolarHBondContact CB-OE2 3.47Å; P482-E484 PolarHBondContact O-N 3.39Å; E484-G488 PolarHBondContact O-N 3.09Å
485	V	98.3	Very high	98.4	Very high	39 Å²	39	41.7 Å²	41.7	24%	0.236	22%	0.222	C	C	.	.	H	α-helix	trans	-72.7	-49.6	174	174.5	0	0	0	0	109.5	W174 Y418 V481 P482 L483 K487 G488 D489	W174-V485 HydrophobicContact CH2-CG1 4.28Å; W174-V485 HydrophobicContact CZ2-CG1 4.19Å; W174-V485 HydrophobicContact CZ2-CG2 4.49Å; Y418-V485 HydrophobicContact CE1-CG1 3.95Å; V481-V485 HydrophobicContact CG1-CB 3.93Å; V481-V485 HydrophobicContact CG1-CG1 3.83Å; P482-V485 HydrophobicContact CB-CG2 4.12Å; P482-V485 HydrophobicContact CG-CG2 4.1Å; P482-V485 PolarHBondContact O-N 3.28Å; P482-V485 VanDerWaalsContact O-N 3.1Å; L483-V485 VanDerWaalsContact C-N 3.32Å; V485-K487 PolarHBondContact O-N 3.3Å; V485-G488 PolarHBondContact O-N 3.28Å; V485-D489 PolarHBondContact O-N 3.42Å
486	I	98.4	Very high	98.5	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-60	-50.5	179.5	-56.4	170.2	0	0	0	110.5	F190 V414 V481 P482 L483 G488 D489 F492 T493	F190-I486 HydrophobicContact CE1-CG2 3.74Å; F190-I486 HydrophobicContact CZ-CB 4.31Å; F190-I486 HydrophobicContact CZ-CD1 4.37Å; F190-I486 HydrophobicContact CZ-CG2 3.68Å; V414-I486 HydrophobicContact CG1-CD1 4.45Å; V414-I486 HydrophobicContact CG1-CG2 3.98Å; V481-I486 HydrophobicContact CB-CD1 4.13Å; V481-I486 HydrophobicContact CB-CG1 4.04Å; V481-I486 HydrophobicContact CG1-CD1 4.35Å; V481-I486 HydrophobicContact CG1-CG1 3.72Å; P482-I486 PolarHBondContact O-N 2.99Å; L483-I486 PolarHBondContact O-N 3.49Å; I486-G488 VanDerWaalsContact C-N 3.27Å; I486-G488 PolarHBondContact O-N 3Å; I486-D489 PolarHBondContact O-N 3.38Å; I486-D489 VanDerWaalsContact O-O 3.12Å; I486-F492 HydrophobicContact CG2-CD1 3.86Å; I486-F492 HydrophobicContact CG2-CE1 3.69Å; I486-T493 PolarHBondContact O-OG1 3.46Å
487	K	98.2	Very high	98.5	Very high	78 Å²	78	42.4 Å²	42.4	34%	0.339	22%	0.223	S	C	.	.	H	α-helix	trans	-73.9	-16.7	-179.1	-66.6	-169.8	179.2	-171.1	0	113.6	E189 F190 L483 V485 D489 H490 T493	E189-K487 WeakPolarHBondContact OE2-CE 3.45Å; E189-K487 IonicContact OE2-NZ 3.84Å; E189-K487 PolarHBondContact OE2-NZ 3.4Å; F190-K487 HydrophobicContact CE1-CG 4.37Å; L483-K487 VanDerWaalsContact O-CB 3.31Å; L483-K487 WeakPolarHBondContact O-CB 3.26Å; L483-K487 WeakPolarHBondContact O-CG 3.31Å; L483-K487 PolarHBondContact O-N 3.21Å; V485-K487 PolarHBondContact O-N 3.3Å; K487-D489 VanDerWaalsContact C-N 3.31Å; K487-H490 PolarHBondContact O-CE1 3.25Å; K487-H490 VanDerWaalsContact O-CE1 3.28Å; K487-H490 PolarHBondContact O-ND1 3.47Å; K487-T493 WeakPolarHBondContact CA-OG1 3.49Å; K487-T493 HydrophobicContact CG-CG2 4.49Å
488	G	97.9	Very high	98.5	Very high	51 Å²	51	49.8 Å²	49.8	53%	0.526	25%	0.251	S	S	.	.	H	α-helix	trans	-66.2	-33.1	168.4	0	0	0	0	0	112.4	E484 V485 I486 H490	E484-G488 PolarHBondContact O-N 3.09Å; V485-G488 PolarHBondContact O-N 3.28Å; I486-G488 VanDerWaalsContact C-N 3.27Å; I486-G488 PolarHBondContact O-N 3Å; G488-H490 PolarHBondContact O-N 2.95Å
489	D	98.1	Very high	98.5	Very high	23 Å²	23	48.7 Å²	48.7	12%	0.123	25%	0.247	C	C	.	.			trans	-83.6	91.7	165.2	-169.3	-24.2	0	0	0	110	Y418 Y421 V485 I486 K487 E491 F492 T493	Y418-D489 HydrophobicContact CE2-CB 4.05Å; Y421-D489 VanDerWaalsContact CE1-OD2 3.28Å; Y421-D489 WeakPolarHBondContact CE1-OD2 3.35Å; Y421-D489 PolarHBondContact OH-OD2 3.39Å; V485-D489 PolarHBondContact O-N 3.42Å; I486-D489 PolarHBondContact O-N 3.38Å; I486-D489 VanDerWaalsContact O-O 3.12Å; K487-D489 VanDerWaalsContact C-N 3.31Å; D489-E491 VanDerWaalsContact C-N 3.31Å; D489-E491 PolarHBondContact O-N 3.36Å; D489-E491 PolarHBondContact OD1-N 2.91Å; D489-F492 HydrophobicContact CB-CB 3.93Å; D489-F492 VanDerWaalsContact CG-CB 3.41Å; D489-F492 WeakPolarHBondContact OD1-CB 3.48Å; D489-F492 PolarHBondContact OD1-N 2.78Å; D489-T493 VanDerWaalsContact O-CB 3.28Å; D489-T493 WeakPolarHBondContact O-CB 3.49Å; D489-T493 PolarHBondContact O-N 2.93Å; D489-T493 PolarHBondContact O-OG1 2.99Å
490	H	98	Very high	98.5	Very high	133 Å²	133	47.1 Å²	47.1	62%	0.616	24%	0.238	S	C	*	.	H	α-helix	trans	-64.9	-33.9	177.5	-57.6	-27	0	0	0	112.5	K487 G488 T493 D494	K487-H490 PolarHBondContact O-CE1 3.25Å; K487-H490 VanDerWaalsContact O-CE1 3.28Å; K487-H490 PolarHBondContact O-ND1 3.47Å; G488-H490 PolarHBondContact O-N 2.95Å; H490-T493 PolarHBondContact O-N 2.92Å; H490-D494 VanDerWaalsContact O-CB 3.25Å; H490-D494 WeakPolarHBondContact O-CB 3.16Å; H490-D494 PolarHBondContact O-N 2.92Å
491	E	97.8	Very high	98.5	Very high	118 Å²	118	50.3 Å²	50.3	55%	0.551	25%	0.253	S	S	*	.	H	α-helix	trans	-70.3	-40.8	-179	-81.2	-152.6	139.6	0	0	111.8	P159 D489 Y495	P159-E491 HydrophobicContact CB-CB 4.34Å; P159-E491 WeakPolarHBondContact CB-OE2 3.35Å; P159-E491 HydrophobicContact CG-CB 4.03Å; D489-E491 VanDerWaalsContact C-N 3.31Å; D489-E491 PolarHBondContact O-N 3.36Å; D489-E491 PolarHBondContact OD1-N 2.91Å; E491-Y495 PolarHBondContact O-N 3.07Å
492	F	98.7	Very high	98.4	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-63.8	-48.7	169.9	177.7	-88.8	0	0	0	111.4	F158 V414 V417 Y418 Y421 I486 D489 Y495 M496	F158-F492 AromaticContact CD1-CD2 3.59Å; F158-F492 HydrophobicContact CD1-CD2 3.59Å; F158-F492 HydrophobicContact CD1-CE2 4.03Å; F158-F492 HydrophobicContact CD1-CG 4.3Å; F158-F492 AromaticContact CE1-CD2 3.28Å; F158-F492 HydrophobicContact CE1-CD2 3.28Å; F158-F492 AromaticContact CE1-CE2 3.36Å; F158-F492 HydrophobicContact CE1-CE2 3.36Å; F158-F492 AromaticContact CE1-CG 3.92Å; F158-F492 HydrophobicContact CE1-CG 3.92Å; F158-F492 HydrophobicContact CE1-CZ 4.04Å; F158-F492 HydrophobicContact CE2-CE2 4.45Å; F158-F492 HydrophobicContact CZ-CD2 4.04Å; F158-F492 AromaticContact CZ-CE2 3.62Å; F158-F492 HydrophobicContact CZ-CE2 3.62Å; F158-F492 HydrophobicContact CZ-CZ 4.14Å; V414-F492 HydrophobicContact CG1-CE1 3.75Å; V414-F492 HydrophobicContact CG1-CZ 4.21Å; V417-F492 HydrophobicContact CB-CZ 4.42Å; V417-F492 HydrophobicContact CG1-CE2 4.16Å; V417-F492 HydrophobicContact CG1-CZ 4.11Å; Y418-F492 AromaticContact CD2-CD1 3.83Å; Y418-F492 HydrophobicContact CD2-CD1 3.83Å; Y418-F492 AromaticContact CD2-CD2 3.95Å; Y418-F492 HydrophobicContact CD2-CD2 3.95Å; Y418-F492 AromaticContact CD2-CE1 3.95Å; Y418-F492 HydrophobicContact CD2-CE1 3.95Å; Y418-F492 HydrophobicContact CD2-CE2 4.06Å; Y418-F492 AromaticContact CD2-CG 3.84Å; Y418-F492 HydrophobicContact CD2-CG 3.84Å; Y418-F492 HydrophobicContact CD2-CZ 4.07Å; Y418-F492 HydrophobicContact CE2-CG 4.38Å; Y418-F492 HydrophobicContact CG-CZ 4.43Å; Y421-F492 AromaticContact CD1-CD2 3.48Å; Y421-F492 HydrophobicContact CD1-CD2 3.48Å; Y421-F492 VanDerWaalsContact CD1-CD2 3.48Å; Y421-F492 HydrophobicContact CD1-CE2 4.06Å; Y421-F492 HydrophobicContact CD1-CG 4.29Å; Y421-F492 HydrophobicContact CD2-CD2 4.33Å; Y421-F492 HydrophobicContact CE1-CB 4.09Å; Y421-F492 AromaticContact CE1-CD2 3.85Å; Y421-F492 HydrophobicContact CE1-CD2 3.85Å; Y421-F492 HydrophobicContact CE1-CG 4.33Å; Y421-F492 AromaticContact CG-CD2 3.72Å; Y421-F492 HydrophobicContact CG-CD2 3.72Å; Y421-F492 HydrophobicContact CG-CE2 4.04Å; I486-F492 HydrophobicContact CG2-CD1 3.86Å; I486-F492 HydrophobicContact CG2-CE1 3.69Å; D489-F492 HydrophobicContact CB-CB 3.93Å; D489-F492 VanDerWaalsContact CG-CB 3.41Å; D489-F492 WeakPolarHBondContact OD1-CB 3.48Å; D489-F492 PolarHBondContact OD1-N 2.78Å; F492-Y495 PolarHBondContact O-N 3.3Å; F492-M496 HydrophobicContact CE1-CB 4.42Å; F492-M496 WeakPolarHBondContact O-CB 3.2Å; F492-M496 PolarHBondContact O-N 2.78Å
493	T	98.7	Very high	98.3	Very high	13 Å²	13	53.9 Å²	53.9	8%	0.08	28%	0.277	C	S	.	.	H	α-helix	trans	-63.2	-44.6	-176.3	-65.4	0	0	0	0	112.2	F190 I486 K487 D489 H490 Y495 M496 I497	F190-T493 HydrophobicContact CD1-CG2 4.43Å; F190-T493 HydrophobicContact CE1-CG2 4.31Å; I486-T493 PolarHBondContact O-OG1 3.46Å; K487-T493 WeakPolarHBondContact CA-OG1 3.49Å; K487-T493 HydrophobicContact CG-CG2 4.49Å; D489-T493 VanDerWaalsContact O-CB 3.28Å; D489-T493 WeakPolarHBondContact O-CB 3.49Å; D489-T493 PolarHBondContact O-N 2.93Å; D489-T493 PolarHBondContact O-OG1 2.99Å; H490-T493 PolarHBondContact O-N 2.92Å; T493-Y495 VanDerWaalsContact C-N 3.31Å; T493-Y495 PolarHBondContact O-N 3.33Å; T493-M496 PolarHBondContact O-N 2.88Å; T493-M496 VanDerWaalsContact O-N 3.13Å; T493-I497 HydrophobicContact CG2-CD1 3.77Å; T493-I497 HydrophobicContact CG2-CG1 4.42Å; T493-I497 WeakPolarHBondContact O-CG1 3.4Å; T493-I497 PolarHBondContact O-N 2.95Å
494	D	98.6	Very high	98.3	Very high	95 Å²	95	52 Å²	52	51%	0.508	27%	0.267	S	S	.	.	H	α-helix	trans	-62	-36.3	177.1	-85.8	5.1	0	0	0	112.6	H490 R498	H490-D494 VanDerWaalsContact O-CB 3.25Å; H490-D494 WeakPolarHBondContact O-CB 3.16Å; H490-D494 PolarHBondContact O-N 2.92Å; D494-R498 WeakPolarHBondContact O-CB 3.28Å; D494-R498 PolarHBondContact O-N 3.01Å
495	Y	98.8	Very high	98.2	Very high	15 Å²	15	46.6 Å²	46.6	6%	0.059	25%	0.25	C	C	.	.	H	α-helix	trans	-69.3	-44.8	172.6	179.8	-76.5	0	0	0	110.8	S156 W157 F158 L429 E491 F492 T493 R498 S499	S156-Y495 PolarHBondContact O-OH 3.43Å; S156-Y495 WeakPolarHBondContact OG-CE2 3.2Å; W157-Y495 WeakPolarHBondContact O-CD2 3.49Å; W157-Y495 VanDerWaalsContact O-CE2 3.22Å; W157-Y495 WeakPolarHBondContact O-CE2 3.48Å; F158-Y495 AromaticContact CD1-CD1 3.43Å; F158-Y495 HydrophobicContact CD1-CD1 3.43Å; F158-Y495 VanDerWaalsContact CD1-CD1 3.43Å; F158-Y495 HydrophobicContact CD1-CD2 4.4Å; F158-Y495 HydrophobicContact CD1-CE1 4.12Å; F158-Y495 AromaticContact CD1-CG 3.59Å; F158-Y495 HydrophobicContact CD1-CG 3.59Å; F158-Y495 AromaticContact CD2-CD1 3.81Å; F158-Y495 HydrophobicContact CD2-CD1 3.81Å; F158-Y495 AromaticContact CD2-CE1 3.61Å; F158-Y495 HydrophobicContact CD2-CE1 3.61Å; F158-Y495 HydrophobicContact CD2-CG 4.44Å; F158-Y495 AromaticContact CE1-CD1 3.2Å; F158-Y495 HydrophobicContact CE1-CD1 3.2Å; F158-Y495 AromaticContact CE1-CE1 3.95Å; F158-Y495 HydrophobicContact CE1-CE1 3.95Å; F158-Y495 AromaticContact CE1-CG 3.78Å; F158-Y495 HydrophobicContact CE1-CG 3.78Å; F158-Y495 AromaticContact CE2-CD1 3.61Å; F158-Y495 HydrophobicContact CE2-CD1 3.61Å; F158-Y495 AromaticContact CE2-CE1 3.41Å; F158-Y495 HydrophobicContact CE2-CE1 3.41Å; F158-Y495 VanDerWaalsContact CE2-CE1 3.41Å; F158-Y495 AromaticContact CG-CD1 3.74Å; F158-Y495 HydrophobicContact CG-CD1 3.74Å; F158-Y495 HydrophobicContact CG-CD2 4.39Å; F158-Y495 AromaticContact CG-CE1 3.97Å; F158-Y495 HydrophobicContact CG-CE1 3.97Å; F158-Y495 AromaticContact CG-CG 3.96Å; F158-Y495 HydrophobicContact CG-CG 3.96Å; F158-Y495 AromaticContact CZ-CD1 3.31Å; F158-Y495 HydrophobicContact CZ-CD1 3.31Å; F158-Y495 AromaticContact CZ-CE1 3.6Å; F158-Y495 HydrophobicContact CZ-CE1 3.6Å; F158-Y495 HydrophobicContact CZ-CG 4.3Å; L429-Y495 HydrophobicContact CB-CE1 4.29Å; L429-Y495 HydrophobicContact CD1-CE1 4.33Å; L429-Y495 HydrophobicContact CG-CE1 4.25Å; L429-Y495 PolarHBondContact N-OH 2.87Å; E491-Y495 PolarHBondContact O-N 3.07Å; F492-Y495 PolarHBondContact O-N 3.3Å; T493-Y495 VanDerWaalsContact C-N 3.31Å; T493-Y495 PolarHBondContact O-N 3.33Å; Y495-R498 PolarHBondContact O-N 2.91Å; Y495-S499 VanDerWaalsContact O-CB 3.28Å; Y495-S499 WeakPolarHBondContact O-CB 3.33Å; Y495-S499 PolarHBondContact O-N 3.41Å
496	M	98.8	Very high	98.1	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-61.4	-48.8	-175.9	-170.3	66.1	-126.6	0	0	111.7	F158 F190 L408 V414 L429 F492 T493 S499 N500	F158-M496 HydrophobicContact CZ-SD 4.32Å; F190-M496 HydrophobicContact CB-CG 4.31Å; F190-M496 HydrophobicContact CD1-CG 4.21Å; F190-M496 HydrophobicContact CG-CG 4.4Å; L408-M496 HydrophobicContact CB-CE 3.59Å; L408-M496 HydrophobicContact CD1-CE 3.91Å; L408-M496 HydrophobicContact CG-CE 4.43Å; V414-M496 HydrophobicContact CG1-CG 3.8Å; V414-M496 HydrophobicContact CG1-SD 4.24Å; V414-M496 HydrophobicContact CG2-CE 4.16Å; V414-M496 HydrophobicContact CG2-CG 3.99Å; V414-M496 HydrophobicContact CG2-SD 4.13Å; L429-M496 HydrophobicContact CD1-CE 3.7Å; L429-M496 HydrophobicContact CD1-SD 3.84Å; F492-M496 HydrophobicContact CE1-CB 4.42Å; F492-M496 WeakPolarHBondContact O-CB 3.2Å; F492-M496 PolarHBondContact O-N 2.78Å; T493-M496 PolarHBondContact O-N 2.88Å; T493-M496 VanDerWaalsContact O-N 3.13Å; M496-S499 PolarHBondContact O-N 2.95Å; M496-N500 WeakPolarHBondContact CE-ND2 3.32Å; M496-N500 WeakPolarHBondContact CE-OD1 3.48Å; M496-N500 PolarHBondContact O-N 2.97Å
497	I	98.8	Very high	98	Very high	48 Å²	48	50 Å²	50	25%	0.246	27%	0.265	C	S	.	.	H	α-helix	trans	-58.1	-53.6	175.5	-67	167.2	0	0	0	109.9	F190 T493 S499 N500 E501	F190-I497 HydrophobicContact CB-CG1 4.43Å; T493-I497 HydrophobicContact CG2-CD1 3.77Å; T493-I497 HydrophobicContact CG2-CG1 4.42Å; T493-I497 WeakPolarHBondContact O-CG1 3.4Å; T493-I497 PolarHBondContact O-N 2.95Å; I497-S499 VanDerWaalsContact C-N 3.27Å; I497-S499 PolarHBondContact O-N 3.25Å; I497-N500 PolarHBondContact O-N 2.58Å; I497-N500 VanDerWaalsContact O-N 3.1Å; I497-E501 HydrophobicContact CG2-CG 4.2Å; I497-E501 WeakPolarHBondContact O-CG 3.39Å; I497-E501 PolarHBondContact O-N 2.97Å
498	R	98.7	Very high	97.9	Very high	156 Å²	156	46.8 Å²	46.8	59%	0.589	25%	0.252	S	S	*	.	H	α-helix	trans	-60.6	-35.1	-178.4	-166.4	-173	-46.6	161.3	10.7	112.9	D494 Y495 S502	D494-R498 WeakPolarHBondContact O-CB 3.28Å; D494-R498 PolarHBondContact O-N 3.01Å; Y495-R498 PolarHBondContact O-N 2.91Å; R498-S502 WeakPolarHBondContact O-CB 3.48Å; R498-S502 PolarHBondContact O-N 2.89Å; R498-S502 VanDerWaalsContact O-N 3.07Å
499	S	98.7	Very high	97.8	Very high	24 Å²	24	47.1 Å²	47.1	17%	0.168	24%	0.239	C	C	.	.	H	α-helix	trans	-68.6	-42.7	175.7	-172.4	0	0	0	0	111.8	L429 Y495 M496 I497 H503	L429-S499 WeakPolarHBondContact CB-OG 3.5Å; L429-S499 WeakPolarHBondContact CD1-OG 3.36Å; Y495-S499 VanDerWaalsContact O-CB 3.28Å; Y495-S499 WeakPolarHBondContact O-CB 3.33Å; Y495-S499 PolarHBondContact O-N 3.41Å; M496-S499 PolarHBondContact O-N 2.95Å; I497-S499 VanDerWaalsContact C-N 3.27Å; I497-S499 PolarHBondContact O-N 3.25Å; S499-H503 WeakPolarHBondContact O-CB 3.3Å; S499-H503 PolarHBondContact O-N 2.55Å; S499-H503 VanDerWaalsContact O-N 3.13Å
500	N	98.6	Very high	97.7	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-65.4	-52.8	176	-83.3	-15.4	0	0	0	111.9	F190 C191 L408 F409 R442 M496 I497 S502 H503 C504	F190-N500 WeakPolarHBondContact O-CB 3.33Å; F190-N500 PolarHBondContact O-ND2 2.89Å; C191-N500 HydrophobicContact CB-CB 4.33Å; L408-N500 PolarHBondContact O-ND2 3.06Å; F409-N500 HydrophobicContact CE1-CB 4.27Å; R442-N500 PolarHBondContact NH1-OD1 3.04Å; M496-N500 WeakPolarHBondContact CE-ND2 3.32Å; M496-N500 WeakPolarHBondContact CE-OD1 3.48Å; M496-N500 PolarHBondContact O-N 2.97Å; I497-N500 PolarHBondContact O-N 2.58Å; I497-N500 VanDerWaalsContact O-N 3.1Å; N500-S502 PolarHBondContact O-N 2.68Å; N500-H503 WeakPolarHBondContact O-CB 3.44Å; N500-H503 PolarHBondContact O-N 2.71Å; N500-H503 VanDerWaalsContact O-N 3.14Å; N500-C504 PolarHBondContact O-N 3.48Å; N500-C504 PolarHBondContact O-SG 2.9Å; N500-C504 VanDerWaalsContact O-SG 3.33Å
501	E	98.4	Very high	97.5	Very high	67 Å²	67	40.4 Å²	40.4	31%	0.313	21%	0.209	S	C	.	.	H	α-helix	trans	-64	-41	-177	-67.3	-177.2	158.8	0	0	112.4	G192 L195 I497 H503 C504 G505	G192-E501 PolarHBondContact N-OE1 3.1Å; L195-E501 HydrophobicContact CD1-CB 3.74Å; L195-E501 HydrophobicContact CD1-CG 3.77Å; I497-E501 HydrophobicContact CG2-CG 4.2Å; I497-E501 WeakPolarHBondContact O-CG 3.39Å; I497-E501 PolarHBondContact O-N 2.97Å; E501-H503 VanDerWaalsContact C-N 3.34Å; E501-H503 PolarHBondContact O-N 3.22Å; E501-C504 PolarHBondContact O-N 2.83Å; E501-G505 PolarHBondContact O-N 3.13Å
502	S	97.6	Very high	97.3	Very high	73 Å²	73	34.9 Å²	34.9	51%	0.51	18%	0.184	S	C	.	.	H	α-helix	trans	-61.8	-40.9	173.5	-178	0	0	0	0	112	R498 N500 L506	R498-S502 WeakPolarHBondContact O-CB 3.48Å; R498-S502 PolarHBondContact O-N 2.89Å; R498-S502 VanDerWaalsContact O-N 3.07Å; N500-S502 PolarHBondContact O-N 2.68Å; S502-L506 WeakPolarHBondContact O-CG 3.38Å; S502-L506 PolarHBondContact O-N 3.34Å; S502-L506 VanDerWaalsContact O-N 3.16Å
503	H	97.5	Very high	97.1	Very high	17 Å²	17	35.2 Å²	35.2	8%	0.079	19%	0.185	C	C	.	.	H	α-helix	trans	-66.1	-44.6	174.6	-171.6	107.5	0	0	0	111.8	S440 R442 S499 N500 E501 L506 Q507	S440-H503 WeakPolarHBondContact CA-NE2 3.43Å; R442-H503 PolarHBondContact NE-ND1 2.83Å; R442-H503 PolarHBondContact NH2-CD2 2.87Å; R442-H503 VanDerWaalsContact NH2-CG 3.31Å; S499-H503 WeakPolarHBondContact O-CB 3.3Å; S499-H503 PolarHBondContact O-N 2.55Å; S499-H503 VanDerWaalsContact O-N 3.13Å; N500-H503 WeakPolarHBondContact O-CB 3.44Å; N500-H503 PolarHBondContact O-N 2.71Å; N500-H503 VanDerWaalsContact O-N 3.14Å; E501-H503 VanDerWaalsContact C-N 3.34Å; E501-H503 PolarHBondContact O-N 3.22Å; H503-L506 PolarHBondContact O-N 3.47Å; H503-Q507 VanDerWaalsContact O-CB 3.22Å; H503-Q507 WeakPolarHBondContact O-CB 3.49Å; H503-Q507 PolarHBondContact O-N 3Å
504	C	97.4	Very high	96.9	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-57	-50.2	175.6	-71.8	0	0	0	0	111.3	L195 F409 N500 E501 L506 Q507 I508	L195-C504 HydrophobicContact CB-CB 4.3Å; F409-C504 VanDerWaalsContact CZ-SG 3.55Å; N500-C504 PolarHBondContact O-N 3.48Å; N500-C504 PolarHBondContact O-SG 2.9Å; N500-C504 VanDerWaalsContact O-SG 3.33Å; E501-C504 PolarHBondContact O-N 2.83Å; C504-L506 PolarHBondContact O-N 3.29Å; C504-Q507 PolarHBondContact O-N 3.37Å; C504-I508 HydrophobicContact CB-CD1 4.5Å; C504-I508 WeakPolarHBondContact O-CB 3.44Å; C504-I508 WeakPolarHBondContact O-CD1 3.43Å; C504-I508 WeakPolarHBondContact O-CG1 3.38Å; C504-I508 PolarHBondContact O-N 2.67Å
505	G	96.3	Very high	96.6	Very high	29 Å²	29	30.7 Å²	30.7	30%	0.299	16%	0.16	S	C	.	.	H	α-helix	trans	-58.9	-43.6	179.6	0	0	0	0	0	113.2	E501 K509	E501-G505 PolarHBondContact O-N 3.13Å; G505-K509 PolarHBondContact O-N 3.01Å
506	L	96	Very high	96.2	Very high	106 Å²	106	30.9 Å²	30.9	56%	0.555	17%	0.165	S	C	*	.	H	α-helix	trans	-67.6	-41	175.2	-68.8	172.4	0	0	0	112.4	S502 H503 C504 K509 A510	S502-L506 WeakPolarHBondContact O-CG 3.38Å; S502-L506 PolarHBondContact O-N 3.34Å; S502-L506 VanDerWaalsContact O-N 3.16Å; H503-L506 PolarHBondContact O-N 3.47Å; C504-L506 PolarHBondContact O-N 3.29Å; L506-K509 PolarHBondContact O-N 3.33Å; L506-A510 WeakPolarHBondContact O-CB 3.3Å; L506-A510 PolarHBondContact O-N 2.81Å
507	Q	96.6	Very high	96	Very high	3 Å²	3	31 Å²	31	1%	0.014	17%	0.166	C	C	.	.	H	α-helix	trans	-67	-41.3	179.4	-170	177.5	16.7	0	0	111.5	V199 A438 S440 H503 C504 A510 L511	V199-Q507 HydrophobicContact CG2-CB 4.2Å; V199-Q507 HydrophobicContact CG2-CG 4.02Å; A438-Q507 WeakPolarHBondContact O-CG 3.48Å; A438-Q507 PolarHBondContact O-NE2 3.33Å; S440-Q507 VanDerWaalsContact N-NE2 3.17Å; S440-Q507 PolarHBondContact OG-NE2 2.83Å; H503-Q507 VanDerWaalsContact O-CB 3.22Å; H503-Q507 WeakPolarHBondContact O-CB 3.49Å; H503-Q507 PolarHBondContact O-N 3Å; C504-Q507 PolarHBondContact O-N 3.37Å; Q507-A510 PolarHBondContact O-N 2.96Å; Q507-L511 HydrophobicContact CG-CD1 3.91Å; Q507-L511 HydrophobicContact CG-CG 4.38Å; Q507-L511 WeakPolarHBondContact O-CB 3.28Å; Q507-L511 VanDerWaalsContact O-CG 3.25Å; Q507-L511 WeakPolarHBondContact O-CG 3.25Å; Q507-L511 PolarHBondContact O-N 2.96Å
508	I	95.8	Very high	95.6	Very high	12 Å²	12	29 Å²	29	6%	0.062	16%	0.156	C	C	.	.	H	α-helix	trans	-59.4	-50	174.8	-72.1	161.3	0	0	0	110.3	V141 L195 V199 C504 A510 L511 A512	V141-I508 HydrophobicContact CB-CG2 4.47Å; V141-I508 HydrophobicContact CG1-CG2 3.81Å; V141-I508 HydrophobicContact CG2-CG2 3.8Å; L195-I508 HydrophobicContact CD2-CD1 4.19Å; V199-I508 HydrophobicContact CB-CD1 4.04Å; V199-I508 HydrophobicContact CB-CG1 3.76Å; V199-I508 HydrophobicContact CG2-CG1 4.05Å; C504-I508 HydrophobicContact CB-CD1 4.5Å; C504-I508 WeakPolarHBondContact O-CB 3.44Å; C504-I508 WeakPolarHBondContact O-CD1 3.43Å; C504-I508 WeakPolarHBondContact O-CG1 3.38Å; C504-I508 PolarHBondContact O-N 2.67Å; I508-A510 VanDerWaalsContact C-N 3.34Å; I508-A510 PolarHBondContact O-N 3.17Å; I508-L511 PolarHBondContact O-N 2.64Å; I508-A512 WeakPolarHBondContact O-CB 3.42Å; I508-A512 PolarHBondContact O-N 2.66Å
509	K	95.6	Very high	95.1	Very high	57 Å²	57	22.9 Å²	22.9	25%	0.248	13%	0.133	C	C	.	.	H	α-helix	trans	-58.4	-44.4	174.8	-75.5	-174.1	172.9	-174.2	0	111.6	V141 D142 W143 D145 G505 L506 A512 K513	V141-K509 HydrophobicContact CG1-CG 4.27Å; D142-K509 WeakPolarHBondContact O-CE 3.07Å; W143-K509 HydrophobicContact CB-CB 4.41Å; W143-K509 WeakPolarHBondContact CB-O 3.21Å; D145-K509 PolarHBondContact O-NZ 2.78Å; D145-K509 IonicContact OD2-NZ 3.15Å; D145-K509 PolarHBondContact OD2-NZ 3.49Å; G505-K509 PolarHBondContact O-N 3.01Å; L506-K509 PolarHBondContact O-N 3.33Å; K509-A512 PolarHBondContact O-N 3.29Å; K509-K513 VanDerWaalsContact O-CB 3.31Å; K509-K513 WeakPolarHBondContact O-CB 3.37Å; K509-K513 PolarHBondContact O-N 3.05Å
510	A	96	Very high	94.7	Very high	9 Å²	9	24.8 Å²	24.8	7%	0.074	14%	0.142	C	C	.	.	H	α-helix	trans	-66.5	-37.1	178.9	0	0	0	0	0	113.7	P437 A438 L506 Q507 I508 I514	P437-A510 HydrophobicContact CB-CB 3.83Å; P437-A510 HydrophobicContact CG-CB 4.34Å; A438-A510 HydrophobicContact CB-CB 3.96Å; L506-A510 WeakPolarHBondContact O-CB 3.3Å; L506-A510 PolarHBondContact O-N 2.81Å; Q507-A510 PolarHBondContact O-N 2.96Å; I508-A510 VanDerWaalsContact C-N 3.34Å; I508-A510 PolarHBondContact O-N 3.17Å; A510-I514 WeakPolarHBondContact O-CG1 3.47Å; A510-I514 PolarHBondContact O-N 3.5Å
511	L	94.3	Very high	94.4	Very high	6 Å²	6	28.6 Å²	28.6	3%	0.031	17%	0.165	C	C	.	.	H	α-helix	trans	-66.9	-47.6	174.2	-73.7	163.9	0	0	0	110.7	V199 C202 K203 F206 A438 Q507 I508 K513 I514 H515	V199-L511 HydrophobicContact CG2-CD1 4.29Å; C202-L511 HydrophobicContact CB-CB 3.93Å; C202-L511 HydrophobicContact CB-CD1 3.71Å; C202-L511 HydrophobicContact CB-CG 4.44Å; K203-L511 HydrophobicContact CG-CD1 3.94Å; F206-L511 HydrophobicContact CD2-CD2 4.03Å; F206-L511 HydrophobicContact CE2-CB 4.18Å; F206-L511 HydrophobicContact CE2-CD2 3.63Å; F206-L511 WeakPolarHBondContact CZ-O 3.49Å; A438-L511 HydrophobicContact CB-CD2 3.96Å; A438-L511 HydrophobicContact CB-CG 4.11Å; Q507-L511 HydrophobicContact CG-CD1 3.91Å; Q507-L511 HydrophobicContact CG-CG 4.38Å; Q507-L511 WeakPolarHBondContact O-CB 3.28Å; Q507-L511 VanDerWaalsContact O-CG 3.25Å; Q507-L511 WeakPolarHBondContact O-CG 3.25Å; Q507-L511 PolarHBondContact O-N 2.96Å; I508-L511 PolarHBondContact O-N 2.64Å; L511-K513 VanDerWaalsContact C-N 3.29Å; L511-K513 PolarHBondContact O-N 3.25Å; L511-I514 PolarHBondContact O-N 2.61Å; L511-I514 VanDerWaalsContact O-N 3.14Å; L511-H515 PolarHBondContact O-N 2.95Å
512	A	93.4	Very high	94.1	Very high	3 Å²	3	30.6 Å²	30.6	3%	0.025	18%	0.182	C	C	.	.	H	α-helix	trans	-59.6	-39.1	175.1	0	0	0	0	0	112.4	L139 V141 I508 K509 H515 A516	L139-A512 HydrophobicContact CB-CB 4.46Å; L139-A512 HydrophobicContact CD1-CB 4.09Å; V141-A512 HydrophobicContact CB-CB 3.8Å; V141-A512 HydrophobicContact CG1-CB 3.72Å; I508-A512 WeakPolarHBondContact O-CB 3.42Å; I508-A512 PolarHBondContact O-N 2.66Å; K509-A512 PolarHBondContact O-N 3.29Å; A512-H515 PolarHBondContact O-N 2.81Å; A512-A516 PolarHBondContact O-N 2.98Å
513	K	95.1	Very high	94	Very high	6 Å²	6	28.9 Å²	28.9	3%	0.026	17%	0.167	C	C	.	.	H	α-helix	trans	-62	-44.7	173	-171.6	175.9	-176.8	178.8	0	112.4	W143 E146 A221 K509 L511 H515 A516 F517 E525	W143-K513 HydrophobicContact CB-CB 4.02Å; W143-K513 HydrophobicContact CD2-CB 3.94Å; W143-K513 HydrophobicContact CD2-CG 3.9Å; W143-K513 HydrophobicContact CE3-CB 4.11Å; W143-K513 HydrophobicContact CE3-CD 3.86Å; W143-K513 HydrophobicContact CE3-CG 3.62Å; W143-K513 HydrophobicContact CG-CB 3.91Å; W143-K513 HydrophobicContact CG-CG 4.41Å; W143-K513 HydrophobicContact CZ3-CD 4.26Å; W143-K513 HydrophobicContact CZ3-CG 4.01Å; E146-K513 IonicContact OE1-NZ 3.69Å; E146-K513 PolarHBondContact OE1-NZ 2.79Å; E146-K513 IonicContact OE2-NZ 2.88Å; A221-K513 HydrophobicContact CB-CG 4.24Å; A221-K513 WeakPolarHBondContact O-CE 3.35Å; A221-K513 PolarHBondContact O-NZ 2.83Å; K509-K513 VanDerWaalsContact O-CB 3.31Å; K509-K513 WeakPolarHBondContact O-CB 3.37Å; K509-K513 PolarHBondContact O-N 3.05Å; L511-K513 VanDerWaalsContact C-N 3.29Å; L511-K513 PolarHBondContact O-N 3.25Å; K513-H515 VanDerWaalsContact C-N 3.35Å; K513-H515 PolarHBondContact O-N 3.28Å; K513-A516 PolarHBondContact O-N 2.84Å; K513-F517 HydrophobicContact CD-CE2 4.46Å; K513-F517 HydrophobicContact CG-CD2 4Å; K513-F517 HydrophobicContact CG-CE2 3.74Å; K513-F517 WeakPolarHBondContact O-CD2 3.3Å; K513-F517 PolarHBondContact O-N 2.81Å; K513-E525 VanDerWaalsContact CE-OE1 3.29Å; K513-E525 WeakPolarHBondContact CE-OE1 3.43Å; K513-E525 IonicContact NZ-OE1 2.68Å; K513-E525 PolarHBondContact NZ-OE1 2.81Å
514	I	94.1	Very high	93.9	Very high	6 Å²	6	31.7 Å²	31.7	3%	0.031	19%	0.188	C	C	.	.	H	α-helix	trans	-62	-43.8	175.5	-67.6	170.3	0	0	0	110.7	F206 M214 A217 R218 A221 A438 A510 L511 A516 F517 V518	F206-I514 HydrophobicContact CE1-CB 4.43Å; F206-I514 HydrophobicContact CE1-CG2 3.77Å; F206-I514 HydrophobicContact CZ-CB 4.07Å; F206-I514 HydrophobicContact CZ-CG2 3.92Å; M214-I514 HydrophobicContact CG-CG2 4.37Å; A217-I514 HydrophobicContact CB-CG2 4.23Å; R218-I514 HydrophobicContact CB-CD1 4.01Å; R218-I514 HydrophobicContact CB-CG1 4.36Å; R218-I514 HydrophobicContact CG-CD1 3.8Å; A221-I514 HydrophobicContact CB-CG1 4.13Å; A438-I514 HydrophobicContact CB-CD1 3.4Å; A510-I514 WeakPolarHBondContact O-CG1 3.47Å; A510-I514 PolarHBondContact O-N 3.5Å; L511-I514 PolarHBondContact O-N 2.61Å; L511-I514 VanDerWaalsContact O-N 3.14Å; I514-A516 PolarHBondContact O-N 3.24Å; I514-F517 CarbonylContact O-C 3.57Å; I514-F517 PolarHBondContact O-N 3.49Å; I514-F517 VanDerWaalsContact O-N 3.16Å; I514-V518 HydrophobicContact CG2-CG2 4.49Å; I514-V518 WeakPolarHBondContact O-CG2 3.28Å; I514-V518 PolarHBondContact O-N 2.84Å
515	H	91.5	Very high	93.8	Very high	8 Å²	8	33.1 Å²	33.1	4%	0.037	20%	0.195	C	C	.	.	H	α-helix	trans	-57.9	-47.9	176.5	173.9	-89.9	0	0	0	111.6	F135 Q137 L139 F206 L511 A512 K513 F517 V518 Q519	F135-H515 AromaticContact CE1-CD2 3.84Å; F135-H515 AromaticContact CE1-NE2 3.99Å; F135-H515 AromaticContact CE2-CD2 3.46Å; F135-H515 VanDerWaalsContact CE2-CD2 3.46Å; F135-H515 WeakPolarHBondContact CE2-CD2 3.41Å; F135-H515 AromaticContact CZ-CD2 3.28Å; F135-H515 WeakPolarHBondContact CZ-CD2 3.47Å; F135-H515 AromaticContact CZ-NE2 3.88Å; F135-H515 PolarHBondContact O-NE2 3.4Å; Q137-H515 PolarHBondContact O-CE1 3Å; L139-H515 HydrophobicContact CD1-CB 3.88Å; F206-H515 HydrophobicContact CE1-CB 4.36Å; F206-H515 HydrophobicContact CZ-CB 3.94Å; L511-H515 PolarHBondContact O-N 2.95Å; A512-H515 PolarHBondContact O-N 2.81Å; K513-H515 VanDerWaalsContact C-N 3.35Å; K513-H515 PolarHBondContact O-N 3.28Å; H515-F517 VanDerWaalsContact C-N 3.32Å; H515-F517 PolarHBondContact O-N 3.27Å; H515-V518 WeakPolarHBondContact O-CB 3.41Å; H515-V518 PolarHBondContact O-N 3.29Å; H515-V518 VanDerWaalsContact O-N 3.07Å; H515-Q519 PolarHBondContact CE1-NE2 2.89Å; H515-Q519 PolarHBondContact O-N 2.88Å
516	A	91.8	Very high	93.7	Very high	19 Å²	19	37 Å²	37	16%	0.157	22%	0.215	C	C	.	.	H	α-helix	trans	-58.9	-40.9	174.2	0	0	0	0	0	112.5	W143 A512 K513 I514 V518 Q519 D520 L523	W143-A516 HydrophobicContact CZ2-CB 3.88Å; A512-A516 PolarHBondContact O-N 2.98Å; K513-A516 PolarHBondContact O-N 2.84Å; I514-A516 PolarHBondContact O-N 3.24Å; A516-V518 VanDerWaalsContact C-N 3.34Å; A516-V518 PolarHBondContact O-N 3.19Å; A516-Q519 PolarHBondContact O-N 3.38Å; A516-D520 PolarHBondContact O-N 2.94Å; A516-L523 HydrophobicContact CB-CD1 4.35Å
517	F	93.8	Very high	93.7	Very high	3 Å²	3	35.6 Å²	35.6	1%	0.013	20%	0.202	C	C	.	.	H	α-helix	trans	-73.1	-19.9	176.3	-83.2	-123.3	0	0	0	113.7	W143 A217 R220 A221 K513 I514 H515 L523	W143-F517 AromaticContact CH2-CE2 3.86Å; W143-F517 HydrophobicContact CH2-CE2 3.86Å; W143-F517 HydrophobicContact CZ2-CE2 4.43Å; W143-F517 HydrophobicContact CZ3-CE2 4.16Å; A217-F517 HydrophobicContact CB-CB 4.13Å; R220-F517 HydrophobicContact CB-CD1 3.69Å; R220-F517 HydrophobicContact CB-CE1 4.01Å; R220-F517 PolarHBondContact NH2-O 3.48Å; R220-F517 WeakPolarHBondContact O-CE1 3.48Å; A221-F517 VanDerWaalsContact CA-CE1 3.49Å; A221-F517 HydrophobicContact CB-CB 4.21Å; A221-F517 HydrophobicContact CB-CD1 3.73Å; A221-F517 HydrophobicContact CB-CD2 4.11Å; A221-F517 HydrophobicContact CB-CE1 3.98Å; A221-F517 HydrophobicContact CB-CE2 4.33Å; A221-F517 HydrophobicContact CB-CG 3.77Å; A221-F517 HydrophobicContact CB-CZ 4.27Å; K513-F517 HydrophobicContact CD-CE2 4.46Å; K513-F517 HydrophobicContact CG-CD2 4Å; K513-F517 HydrophobicContact CG-CE2 3.74Å; K513-F517 WeakPolarHBondContact O-CD2 3.3Å; K513-F517 PolarHBondContact O-N 2.81Å; I514-F517 CarbonylContact O-C 3.57Å; I514-F517 PolarHBondContact O-N 3.49Å; I514-F517 VanDerWaalsContact O-N 3.16Å; H515-F517 VanDerWaalsContact C-N 3.32Å; H515-F517 PolarHBondContact O-N 3.27Å; F517-L523 HydrophobicContact CD1-CB 3.74Å; F517-L523 WeakPolarHBondContact CD1-O 3.47Å; F517-L523 HydrophobicContact CD2-CB 3.78Å; F517-L523 HydrophobicContact CD2-CD1 3.69Å; F517-L523 HydrophobicContact CD2-CG 4.4Å; F517-L523 VanDerWaalsContact CE1-C 3.45Å; F517-L523 HydrophobicContact CE1-CB 3.74Å; F517-L523 WeakPolarHBondContact CE1-O 3.48Å; F517-L523 HydrophobicContact CE2-CB 3.79Å; F517-L523 HydrophobicContact CE2-CD1 3.99Å; F517-L523 HydrophobicContact CE2-CG 4.48Å; F517-L523 HydrophobicContact CG-CB 3.8Å; F517-L523 HydrophobicContact CG-CD1 4.28Å; F517-L523 HydrophobicContact CZ-CB 3.78Å
518	V	90.6	Very high	93.8	Very high	6 Å²	6	36.9 Å²	36.9	4%	0.036	21%	0.208	C	C	.	.	H	α-helix	trans	-72.8	-46.4	167	172.4	0	0	0	0	109.5	F135 L209 E213 A217 I514 H515 A516	F135-V518 HydrophobicContact CE1-CB 4.13Å; F135-V518 HydrophobicContact CE1-CG1 3.58Å; F135-V518 HydrophobicContact CZ-CB 4.02Å; F135-V518 HydrophobicContact CZ-CG1 3.77Å; F135-V518 HydrophobicContact CZ-CG2 4.45Å; L209-V518 HydrophobicContact CD1-CG1 4.02Å; L209-V518 HydrophobicContact CD2-CG1 4.18Å; L209-V518 HydrophobicContact CD2-CG2 3.97Å; E213-V518 HydrophobicContact CG-CG1 4.29Å; A217-V518 HydrophobicContact CB-CB 4.25Å; A217-V518 HydrophobicContact CB-CG2 3.35Å; I514-V518 HydrophobicContact CG2-CG2 4.49Å; I514-V518 WeakPolarHBondContact O-CG2 3.28Å; I514-V518 PolarHBondContact O-N 2.84Å; H515-V518 WeakPolarHBondContact O-CB 3.41Å; H515-V518 PolarHBondContact O-N 3.29Å; H515-V518 VanDerWaalsContact O-N 3.07Å; A516-V518 VanDerWaalsContact C-N 3.34Å; A516-V518 PolarHBondContact O-N 3.19Å
519	Q	87.6	Confident	93.8	Very high	26 Å²	26	39 Å²	39	12%	0.121	23%	0.228	C	C	.	.	H	α-helix	trans	-67.2	-40.3	-179.8	-68.3	-159.7	2.9	0	0	113.1	K123 F135 H515 A516	K123-Q519 WeakPolarHBondContact CB-O 3.17Å; K123-Q519 HydrophobicContact CD-CB 4.18Å; K123-Q519 WeakPolarHBondContact CD-O 3.29Å; K123-Q519 WeakPolarHBondContact CG-O 3.46Å; F135-Q519 HydrophobicContact CE1-CG 4.19Å; F135-Q519 PolarHBondContact O-NE2 2.94Å; H515-Q519 PolarHBondContact CE1-NE2 2.89Å; H515-Q519 PolarHBondContact O-N 2.88Å; A516-Q519 PolarHBondContact O-N 3.38Å
520	D	90.6	Very high	93.9	Very high	64 Å²	64	41.3 Å²	41.3	34%	0.342	24%	0.24	S	C	.	.			trans	-117.7	105	176.3	-175.7	-4.9	0	0	0	110.5	A516 T522 L523	A516-D520 PolarHBondContact O-N 2.94Å; D520-T522 VanDerWaalsContact CG-OG1 3.31Å; D520-T522 PolarHBondContact O-N 2.98Å; D520-T522 WeakPolarHBondContact OD1-CA 3.37Å; D520-T522 VanDerWaalsContact OD1-CB 3.3Å; D520-T522 WeakPolarHBondContact OD1-CB 3.37Å; D520-T522 WeakPolarHBondContact OD1-CG2 3.43Å; D520-T522 PolarHBondContact OD1-N 3.41Å; D520-T522 PolarHBondContact OD1-OG1 2.85Å; D520-T522 PolarHBondContact OD2-OG1 3.31Å; D520-L523 HydrophobicContact CB-CD1 3.97Å; D520-L523 HydrophobicContact CB-CG 3.91Å; D520-L523 PolarHBondContact O-N 3.01Å
521	T	91.9	Very high	94	Very high	80 Å²	80	41.1 Å²	41.1	49%	0.491	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-5.2	-179.7	58.8	0	0	0	0	113.8
522	T	93.2	Very high	94.2	Very high	110 Å²	110	43.2 Å²	43.2	68%	0.675	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-19.6	174.3	75	0	0	0	0	112.6	D520	D520-T522 VanDerWaalsContact CG-OG1 3.31Å; D520-T522 PolarHBondContact O-N 2.98Å; D520-T522 WeakPolarHBondContact OD1-CA 3.37Å; D520-T522 VanDerWaalsContact OD1-CB 3.3Å; D520-T522 WeakPolarHBondContact OD1-CB 3.37Å; D520-T522 WeakPolarHBondContact OD1-CG2 3.43Å; D520-T522 PolarHBondContact OD1-N 3.41Å; D520-T522 PolarHBondContact OD1-OG1 2.85Å; D520-T522 PolarHBondContact OD2-OG1 3.31Å
523	L	94.6	Very high	94.4	Very high	36 Å²	36	50.3 Å²	50.3	19%	0.188	28%	0.275	C	S	.	.			trans	-64	136.1	174.4	-60.1	179.3	0	0	0	111.4	W143 R220 A516 F517 D520	W143-L523 HydrophobicContact CH2-CD1 4.4Å; W143-L523 HydrophobicContact CZ2-CD1 4.23Å; R220-L523 PolarHBondContact NE-O 3.27Å; A516-L523 HydrophobicContact CB-CD1 4.35Å; F517-L523 HydrophobicContact CD1-CB 3.74Å; F517-L523 WeakPolarHBondContact CD1-O 3.47Å; F517-L523 HydrophobicContact CD2-CB 3.78Å; F517-L523 HydrophobicContact CD2-CD1 3.69Å; F517-L523 HydrophobicContact CD2-CG 4.4Å; F517-L523 VanDerWaalsContact CE1-C 3.45Å; F517-L523 HydrophobicContact CE1-CB 3.74Å; F517-L523 WeakPolarHBondContact CE1-O 3.48Å; F517-L523 HydrophobicContact CE2-CB 3.79Å; F517-L523 HydrophobicContact CE2-CD1 3.99Å; F517-L523 HydrophobicContact CE2-CG 4.48Å; F517-L523 HydrophobicContact CG-CB 3.8Å; F517-L523 HydrophobicContact CG-CD1 4.28Å; F517-L523 HydrophobicContact CZ-CB 3.78Å; D520-L523 HydrophobicContact CB-CD1 3.97Å; D520-L523 HydrophobicContact CB-CG 3.91Å; D520-L523 PolarHBondContact O-N 3.01Å
524	S	94.8	Very high	94.6	Very high	76 Å²	76	53.5 Å²	53.5	53%	0.531	29%	0.29	S	S	.	.			trans	-151.5	152.9	-178.7	57.7	0	0	0	0	111.1	P526	S524-P526 VanDerWaalsContact O-CD 3.3Å; S524-P526 WeakPolarHBondContact O-CD 3.47Å
525	E	96	Very high	94.8	Very high	31 Å²	31	53.2 Å²	53.2	15%	0.145	29%	0.289	C	S	.	.			trans	-89.8	102.8	169	-82.7	-59.7	143.1	0	0	110.8	R220 P223 K513 R527 Q528	R220-E525 WeakPolarHBondContact O-CB 3.44Å; R220-E525 WeakPolarHBondContact O-CG 3.06Å; R220-E525 PolarHBondContact O-N 2.86Å; P223-E525 HydrophobicContact CB-CG 4.23Å; K513-E525 VanDerWaalsContact CE-OE1 3.29Å; K513-E525 WeakPolarHBondContact CE-OE1 3.43Å; K513-E525 IonicContact NZ-OE1 2.68Å; K513-E525 PolarHBondContact NZ-OE1 2.81Å; E525-R527 VanDerWaalsContact C-N 3.26Å; E525-R527 PolarHBondContact O-N 3.23Å; E525-Q528 HydrophobicContact CB-CG 3.68Å; E525-Q528 WeakPolarHBondContact O-CG 3.47Å
526	P	94.8	Very high	95.1	Very high	110 Å²	110	53 Å²	53	71%	0.714	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-21.3	-172.1	27.4	-34.3	0	0	0	113.5	S524	S524-P526 VanDerWaalsContact O-CD 3.3Å; S524-P526 WeakPolarHBondContact O-CD 3.47Å
527	R	96.3	Very high	95.4	Very high	76 Å²	76	59.7 Å²	59.7	29%	0.287	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	1.8	-172.5	-64	-179.3	72.4	-168.4	-0.4	114.7	E148 E525 A529 E530 I531	E148-R527 VanDerWaalsContact CD-NH1 3.35Å; E148-R527 IonicContact OE1-NH1 3.53Å; E148-R527 IonicContact OE2-CZ 3.68Å; E148-R527 IonicContact OE2-NH1 2.65Å; E148-R527 PolarHBondContact OE2-NH1 3.24Å; E525-R527 VanDerWaalsContact C-N 3.26Å; E525-R527 PolarHBondContact O-N 3.23Å; R527-A529 PolarHBondContact O-N 3.48Å; R527-A529 VanDerWaalsContact O-N 3.09Å; R527-E530 WeakPolarHBondContact CG-OE2 3.36Å; R527-E530 IonicContact CZ-OE1 3.4Å; R527-E530 IonicContact CZ-OE2 3.47Å; R527-E530 IonicContact NE-OE1 3.64Å; R527-E530 IonicContact NE-OE2 3.92Å; R527-E530 PolarHBondContact NE-OE2 3.4Å; R527-E530 IonicContact NH2-OE1 2.83Å; R527-E530 PolarHBondContact NH2-OE1 3.1Å; R527-E530 IonicContact NH2-OE2 3.11Å; R527-E530 WeakPolarHBondContact O-CB 3.43Å; R527-E530 PolarHBondContact O-N 3.21Å; R527-I531 HydrophobicContact CB-CD1 3.8Å; R527-I531 HydrophobicContact CB-CG1 4.19Å; R527-I531 WeakPolarHBondContact O-CG1 3.35Å; R527-I531 PolarHBondContact O-N 2.86Å
528	Q	97.4	Very high	95.6	Very high	30 Å²	30	61.7 Å²	61.7	14%	0.14	32%	0.32	C	S	.	.	H	α-helix	trans	-50.7	-40.2	-177.4	-71.4	-175.8	-19.8	0	0	114	T219 N222 P223 M226 E525 R532	T219-Q528 PolarHBondContact O-NE2 3Å; N222-Q528 PolarHBondContact O-NE2 2.72Å; P223-Q528 WeakPolarHBondContact O-CA 3.5Å; M226-Q528 HydrophobicContact CB-CB 4.25Å; M226-Q528 HydrophobicContact CG-CB 3.73Å; M226-Q528 HydrophobicContact CG-CG 4.5Å; M226-Q528 HydrophobicContact SD-CB 3.52Å; M226-Q528 VanDerWaalsContact SD-CB 3.52Å; E525-Q528 HydrophobicContact CB-CG 3.68Å; E525-Q528 WeakPolarHBondContact O-CG 3.47Å; Q528-R532 VanDerWaalsContact O-CB 3.24Å; Q528-R532 WeakPolarHBondContact O-CB 3.39Å; Q528-R532 PolarHBondContact O-N 3.34Å
529	A	97.2	Very high	96	Very high	58 Å²	58	61.4 Å²	61.4	48%	0.479	32%	0.318	S	S	.	.	H	α-helix	trans	-74.2	-35.3	-179.4	0	0	0	0	0	113.2	M226 R527 K533	M226-A529 HydrophobicContact CE-CB 4.24Å; M226-A529 HydrophobicContact SD-CB 4.08Å; R527-A529 PolarHBondContact O-N 3.48Å; R527-A529 VanDerWaalsContact O-N 3.09Å; A529-K533 PolarHBondContact O-N 3.11Å
530	E	97.7	Very high	96.5	Very high	104 Å²	104	62 Å²	62	49%	0.486	33%	0.33	S	S	.	.	H	α-helix	trans	-66.6	-53.3	175.4	-178	-159.9	153.2	0	0	110	R527 R532 K533 E534	R527-E530 WeakPolarHBondContact CG-OE2 3.36Å; R527-E530 IonicContact CZ-OE1 3.4Å; R527-E530 IonicContact CZ-OE2 3.47Å; R527-E530 IonicContact NE-OE1 3.64Å; R527-E530 IonicContact NE-OE2 3.92Å; R527-E530 PolarHBondContact NE-OE2 3.4Å; R527-E530 IonicContact NH2-OE1 2.83Å; R527-E530 PolarHBondContact NH2-OE1 3.1Å; R527-E530 IonicContact NH2-OE2 3.11Å; R527-E530 WeakPolarHBondContact O-CB 3.43Å; R527-E530 PolarHBondContact O-N 3.21Å; E530-R532 VanDerWaalsContact C-N 3.34Å; E530-R532 PolarHBondContact O-N 2.96Å; E530-K533 WeakPolarHBondContact O-CB 3.28Å; E530-K533 PolarHBondContact O-N 3.1Å; E530-K533 VanDerWaalsContact O-N 3.08Å; E530-E534 PolarHBondContact O-N 3.34Å
531	I	97.6	Very high	96.8	Very high	6 Å²	6	59.3 Å²	59.3	3%	0.031	32%	0.316	C	S	.	.	H	α-helix	trans	-58	-46.9	179.8	-65.1	162.1	0	0	0	110.4	P149 P223 Y224 R527 K533 E534 C535	P149-I531 HydrophobicContact CB-CD1 3.68Å; P223-I531 HydrophobicContact CB-CD1 3.96Å; Y224-I531 HydrophobicContact CD1-CG2 3.54Å; Y224-I531 HydrophobicContact CE1-CG2 3.68Å; R527-I531 HydrophobicContact CB-CD1 3.8Å; R527-I531 HydrophobicContact CB-CG1 4.19Å; R527-I531 WeakPolarHBondContact O-CG1 3.35Å; R527-I531 PolarHBondContact O-N 2.86Å; I531-K533 VanDerWaalsContact C-N 3.33Å; I531-K533 PolarHBondContact O-N 3.06Å; I531-E534 PolarHBondContact O-N 2.93Å; I531-C535 PolarHBondContact O-N 2.91Å; I531-C535 PolarHBondContact O-SG 2.87Å
532	R	98.2	Very high	97.1	Very high	50 Å²	50	57.7 Å²	57.7	19%	0.189	31%	0.307	C	S	.	.	H	α-helix	trans	-51.4	-52.1	173.8	174.1	-173.5	-176.2	-83.3	-4.4	111.6	M226 I227 Q528 E530 E534 C535 L536 D543	M226-R532 HydrophobicContact CB-CB 4.31Å; M226-R532 WeakPolarHBondContact O-CD 3.4Å; M226-R532 PolarHBondContact O-NE 3.09Å; I227-R532 HydrophobicContact CG1-CB 4.3Å; I227-R532 HydrophobicContact CG1-CG 4.39Å; Q528-R532 VanDerWaalsContact O-CB 3.24Å; Q528-R532 WeakPolarHBondContact O-CB 3.39Å; Q528-R532 PolarHBondContact O-N 3.34Å; E530-R532 VanDerWaalsContact C-N 3.34Å; E530-R532 PolarHBondContact O-N 2.96Å; R532-E534 VanDerWaalsContact C-N 3.28Å; R532-E534 PolarHBondContact O-N 3.49Å; R532-C535 PolarHBondContact O-N 2.96Å; R532-L536 HydrophobicContact CG-CD1 4.21Å; R532-L536 HydrophobicContact CG-CG 4.5Å; R532-L536 VanDerWaalsContact O-CG 3.29Å; R532-L536 WeakPolarHBondContact O-CG 3.36Å; R532-L536 PolarHBondContact O-N 3.2Å; R532-D543 IonicContact CZ-OD1 3.61Å; R532-D543 VanDerWaalsContact CZ-OD1 3.29Å; R532-D543 IonicContact CZ-OD2 2.85Å; R532-D543 IonicContact NH1-OD1 2.65Å; R532-D543 PolarHBondContact NH1-OD1 3.23Å; R532-D543 IonicContact NH1-OD2 2.75Å; R532-D543 PolarHBondContact NH1-OD2 2.84Å; R532-D543 IonicContact NH2-OD1 3.66Å; R532-D543 PolarHBondContact NH2-OD1 3.35Å; R532-D543 IonicContact NH2-OD2 3.55Å
533	K	98.1	Very high	97.2	Very high	152 Å²	152	57 Å²	57	66%	0.661	30%	0.299	S	S	*	.	H	α-helix	trans	-60.4	-41.3	-177.6	-176.1	-177.4	177.3	-174.8	0	111.2	A529 E530 I531 R537	A529-K533 PolarHBondContact O-N 3.11Å; E530-K533 WeakPolarHBondContact O-CB 3.28Å; E530-K533 PolarHBondContact O-N 3.1Å; E530-K533 VanDerWaalsContact O-N 3.08Å; I531-K533 VanDerWaalsContact C-N 3.33Å; I531-K533 PolarHBondContact O-N 3.06Å; K533-R537 WeakPolarHBondContact O-CB 3.32Å; K533-R537 PolarHBondContact O-N 2.96Å; K533-R537 VanDerWaalsContact O-N 3.07Å
534	E	98.1	Very high	97.1	Very high	72 Å²	72	61.1 Å²	61.1	34%	0.336	32%	0.317	S	S	.	.	H	α-helix	trans	-69.5	-44.4	179.6	-176.7	57.3	-167.2	0	0	112.5	A151 E530 I531 R532 L536 R537 L538	A151-E534 HydrophobicContact CB-CB 4.3Å; A151-E534 HydrophobicContact CB-CG 3.74Å; E530-E534 PolarHBondContact O-N 3.34Å; I531-E534 PolarHBondContact O-N 2.93Å; R532-E534 VanDerWaalsContact C-N 3.28Å; R532-E534 PolarHBondContact O-N 3.49Å; E534-L536 PolarHBondContact O-N 3.35Å; E534-R537 WeakPolarHBondContact O-CB 3.45Å; E534-R537 PolarHBondContact O-N 3.02Å; E534-R537 IonicContact OE1-CZ 3.51Å; E534-R537 IonicContact OE1-NE 3.57Å; E534-R537 PolarHBondContact OE1-NE 2.86Å; E534-R537 IonicContact OE1-NH2 2.72Å; E534-R537 PolarHBondContact OE1-NH2 2.9Å; E534-R537 IonicContact OE2-CZ 3.99Å; E534-R537 IonicContact OE2-NE 3.62Å; E534-R537 PolarHBondContact OE2-NE 3.47Å; E534-R537 IonicContact OE2-NH2 3.67Å; E534-L538 VanDerWaalsContact O-CB 3.27Å; E534-L538 WeakPolarHBondContact O-CB 3.43Å; E534-L538 PolarHBondContact O-N 3.3Å
535	C	98.4	Very high	96.9	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-58.5	-45.7	174.7	-64.8	0	0	0	0	112.2	A151 I227 I531 R532 R537 L538 W539	A151-C535 VanDerWaalsContact CB-SG 3.52Å; I227-C535 HydrophobicContact CD1-CB 3.94Å; I531-C535 PolarHBondContact O-N 2.91Å; I531-C535 PolarHBondContact O-SG 2.87Å; R532-C535 PolarHBondContact O-N 2.96Å; C535-R537 VanDerWaalsContact C-N 3.35Å; C535-R537 PolarHBondContact O-N 3.02Å; C535-L538 PolarHBondContact O-N 3.47Å; C535-W539 HydrophobicContact CB-CD2 4.25Å; C535-W539 HydrophobicContact CB-CE3 4.08Å; C535-W539 HydrophobicContact CB-CH2 3.63Å; C535-W539 HydrophobicContact CB-CZ2 3.83Å; C535-W539 HydrophobicContact CB-CZ3 3.77Å; C535-W539 WeakPolarHBondContact O-CB 3.36Å; C535-W539 VanDerWaalsContact O-CD2 3.26Å; C535-W539 PolarHBondContact O-N 2.84Å
536	L	98.4	Very high	96.6	Very high	4 Å²	4	63.7 Å²	63.7	2%	0.021	33%	0.331	C	S	.	.	H	α-helix	trans	-63.3	-40.8	178.1	-64.1	-175	0	0	0	112	V230 M238 R532 E534 G540 I541 D543	V230-L536 HydrophobicContact CG1-CD1 4.29Å; V230-L536 HydrophobicContact CG2-CD1 4.24Å; V230-L536 HydrophobicContact CG2-CD2 3.6Å; M238-L536 HydrophobicContact CE-CD2 3.56Å; R532-L536 HydrophobicContact CG-CD1 4.21Å; R532-L536 HydrophobicContact CG-CG 4.5Å; R532-L536 VanDerWaalsContact O-CG 3.29Å; R532-L536 WeakPolarHBondContact O-CG 3.36Å; R532-L536 PolarHBondContact O-N 3.2Å; E534-L536 PolarHBondContact O-N 3.35Å; L536-G540 PolarHBondContact O-N 3.13Å; L536-I541 HydrophobicContact CD2-CB 4.03Å; L536-I541 HydrophobicContact CD2-CG2 3.92Å; L536-I541 PolarHBondContact O-N 3.1Å; L536-D543 HydrophobicContact CD1-CB 4.11Å
537	R	98.3	Very high	96.3	Very high	160 Å²	160	63.6 Å²	63.6	60%	0.604	33%	0.328	S	S	*	.	H	α-helix	trans	-61.7	-49.3	174.7	-171.6	-163.6	72.2	75.2	-1.1	111.4	K533 E534 C535 G540	K533-R537 WeakPolarHBondContact O-CB 3.32Å; K533-R537 PolarHBondContact O-N 2.96Å; K533-R537 VanDerWaalsContact O-N 3.07Å; E534-R537 WeakPolarHBondContact O-CB 3.45Å; E534-R537 PolarHBondContact O-N 3.02Å; E534-R537 IonicContact OE1-CZ 3.51Å; E534-R537 IonicContact OE1-NE 3.57Å; E534-R537 PolarHBondContact OE1-NE 2.86Å; E534-R537 IonicContact OE1-NH2 2.72Å; E534-R537 PolarHBondContact OE1-NH2 2.9Å; E534-R537 IonicContact OE2-CZ 3.99Å; E534-R537 IonicContact OE2-NE 3.62Å; E534-R537 PolarHBondContact OE2-NE 3.47Å; E534-R537 IonicContact OE2-NH2 3.67Å; C535-R537 VanDerWaalsContact C-N 3.35Å; C535-R537 PolarHBondContact O-N 3.02Å; R537-G540 PolarHBondContact O-N 3.16Å
538	L	98.1	Very high	95.7	Very high	45 Å²	45	62.7 Å²	62.7	24%	0.236	34%	0.337	C	S	.	.	H	α-helix	trans	-62.8	-48.5	-177.3	-175.3	64.1	0	0	0	111.6	A151 F245 E534 C535 G540	A151-L538 HydrophobicContact CB-CD2 4.11Å; A151-L538 VanDerWaalsContact O-CD2 3.26Å; A151-L538 WeakPolarHBondContact O-CD2 3.22Å; F245-L538 HydrophobicContact CD1-CD2 4.48Å; F245-L538 HydrophobicContact CD1-CG 4.26Å; F245-L538 WeakPolarHBondContact CD2-O 3.47Å; F245-L538 HydrophobicContact CE1-CD1 3.96Å; F245-L538 HydrophobicContact CE1-CD2 3.81Å; F245-L538 HydrophobicContact CE1-CG 3.6Å; F245-L538 HydrophobicContact CE2-CD1 4.07Å; F245-L538 HydrophobicContact CE2-CG 4.08Å; F245-L538 VanDerWaalsContact CE2-O 3.25Å; F245-L538 WeakPolarHBondContact CE2-O 3.35Å; F245-L538 HydrophobicContact CZ-CD1 3.43Å; F245-L538 VanDerWaalsContact CZ-CD1 3.43Å; F245-L538 HydrophobicContact CZ-CD2 4.17Å; F245-L538 HydrophobicContact CZ-CG 3.51Å; E534-L538 VanDerWaalsContact O-CB 3.27Å; E534-L538 WeakPolarHBondContact O-CB 3.43Å; E534-L538 PolarHBondContact O-N 3.3Å; C535-L538 PolarHBondContact O-N 3.47Å; L538-G540 PolarHBondContact O-N 3.44Å
539	W	98.3	Very high	95	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-77.8	-4.1	-178.5	-53.7	-22.8	0	0	0	113.7	I227 M238 N242 F245 R249 R290 I433 T434 C535 I541	I227-W539 HydrophobicContact CD1-CH2 3.85Å; I227-W539 HydrophobicContact CD1-CZ3 4.11Å; I227-W539 HydrophobicContact CG2-CZ3 4.14Å; M238-W539 HydrophobicContact CE-CE3 3.76Å; M238-W539 HydrophobicContact CE-CZ3 3.83Å; N242-W539 HydrophobicContact CB-CD2 4.16Å; N242-W539 HydrophobicContact CB-CE3 4.18Å; N242-W539 HydrophobicContact CB-CH2 3.77Å; N242-W539 HydrophobicContact CB-CZ2 3.72Å; N242-W539 HydrophobicContact CB-CZ3 3.99Å; N242-W539 WeakPolarHBondContact ND2-CZ2 3.39Å; N242-W539 WeakPolarHBondContact OD1-CH2 3.25Å; N242-W539 WeakPolarHBondContact OD1-CZ2 3.25Å; F245-W539 HydrophobicContact CB-CB 4.23Å; F245-W539 HydrophobicContact CB-CG 4.09Å; F245-W539 AromaticContact CD1-CD1 3.45Å; F245-W539 VanDerWaalsContact CD1-CD1 3.45Å; F245-W539 AromaticContact CD1-NE1 3.88Å; F245-W539 AromaticContact CG-CD1 3.47Å; F245-W539 VanDerWaalsContact CG-CD1 3.47Å; F245-W539 HydrophobicContact CG-CG 4.34Å; R249-W539 PolarHBondContact NH2-O 3.25Å; R290-W539 PolarHBondContact NH2-O 3.14Å; I433-W539 HydrophobicContact CD1-CH2 4.22Å; I433-W539 HydrophobicContact CD1-CZ2 3.86Å; I433-W539 HydrophobicContact CG1-CH2 4.12Å; I433-W539 HydrophobicContact CG1-CZ2 3.99Å; T434-W539 HydrophobicContact CG2-CH2 3.57Å; T434-W539 HydrophobicContact CG2-CZ3 3.79Å; C535-W539 HydrophobicContact CB-CD2 4.25Å; C535-W539 HydrophobicContact CB-CE3 4.08Å; C535-W539 HydrophobicContact CB-CH2 3.63Å; C535-W539 HydrophobicContact CB-CZ2 3.83Å; C535-W539 HydrophobicContact CB-CZ3 3.77Å; C535-W539 WeakPolarHBondContact O-CB 3.36Å; C535-W539 VanDerWaalsContact O-CD2 3.26Å; C535-W539 PolarHBondContact O-N 2.84Å; W539-I541 HydrophobicContact CB-CG1 3.98Å
540	G	97.8	Very high	94	Very high	37 Å²	37	66.9 Å²	66.9	38%	0.381	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.7	50.1	-178.8	0	0	0	0	0	112.1	R290 L536 R537 L538	R290-G540 PolarHBondContact NH1-O 3.33Å; R290-G540 PolarHBondContact NH2-O 3.43Å; L536-G540 PolarHBondContact O-N 3.13Å; R537-G540 PolarHBondContact O-N 3.16Å; L538-G540 PolarHBondContact O-N 3.44Å
541	I	98.1	Very high	92.9	Very high	8 Å²	8	68 Å²	68	4%	0.041	38%	0.383	C	S	.	.			trans	-115	122.6	178.4	-57.4	-60.6	0	0	0	108.2	F231 F232 M238 A241 Y286 W289 L536 W539	F231-I541 HydrophobicContact CE1-CG2 3.62Å; F231-I541 HydrophobicContact CZ-CG2 4.09Å; F232-I541 HydrophobicContact CE2-CG2 4.36Å; M238-I541 HydrophobicContact CE-CG1 4.22Å; M238-I541 HydrophobicContact CE-CG2 4.21Å; M238-I541 HydrophobicContact SD-CG2 4.13Å; A241-I541 HydrophobicContact CB-CD1 3.83Å; A241-I541 HydrophobicContact CB-CG1 4.15Å; Y286-I541 HydrophobicContact CE2-CD1 4.03Å; W289-I541 HydrophobicContact CH2-CD1 3.77Å; W289-I541 HydrophobicContact CZ3-CD1 3.61Å; L536-I541 HydrophobicContact CD2-CB 4.03Å; L536-I541 HydrophobicContact CD2-CG2 3.92Å; L536-I541 PolarHBondContact O-N 3.1Å; W539-I541 HydrophobicContact CB-CG1 3.98Å
542	P	96.9	Very high	92.2	Very high	46 Å²	46	69.8 Å²	69.8	30%	0.299	40%	0.396	S	S	.	.			trans	-70.3	137	-179.2	28.2	-33.8	0	0	0	111.3	F231 W289 Q544	F231-P542 HydrophobicContact CD1-CG 4.39Å; F231-P542 WeakPolarHBondContact CD1-O 3.49Å; F231-P542 HydrophobicContact CE1-CG 3.6Å; F231-P542 VanDerWaalsContact CE1-O 3.28Å; F231-P542 WeakPolarHBondContact CE1-O 3.49Å; F231-P542 HydrophobicContact CZ-CG 4.01Å; W289-P542 HydrophobicContact CZ2-CG 4.06Å; P542-Q544 HydrophobicContact CB-CG 4.17Å; P542-Q544 PolarHBondContact O-N 3Å
543	D	95.7	Very high	91.8	Very high	96 Å²	96	71.1 Å²	71.1	51%	0.513	41%	0.408	S	S	.	.			trans	-79	85.3	177.1	-165.5	-0.8	0	0	0	110.4	R532 L536	R532-D543 IonicContact CZ-OD1 3.61Å; R532-D543 VanDerWaalsContact CZ-OD1 3.29Å; R532-D543 IonicContact CZ-OD2 2.85Å; R532-D543 IonicContact NH1-OD1 2.65Å; R532-D543 PolarHBondContact NH1-OD1 3.23Å; R532-D543 IonicContact NH1-OD2 2.75Å; R532-D543 PolarHBondContact NH1-OD2 2.84Å; R532-D543 IonicContact NH2-OD1 3.66Å; R532-D543 PolarHBondContact NH2-OD1 3.35Å; R532-D543 IonicContact NH2-OD2 3.55Å; L536-D543 HydrophobicContact CD1-CB 4.11Å
544	Q	92.8	Very high	91.6	Very high	122 Å²	122	64.8 Å²	64.8	57%	0.57	38%	0.382	S	S	*	.			trans	-132	150.3	-176.4	-65.8	179	9.3	0	0	110.5	V230 F231 P542	V230-Q544 WeakPolarHBondContact CG1-O 3.47Å; F231-Q544 HydrophobicContact CD1-CB 4.31Å; P542-Q544 HydrophobicContact CB-CG 4.17Å; P542-Q544 PolarHBondContact O-N 3Å
545	A	90	Very high	91.4	Very high	77 Å²	77	67 Å²	67	64%	0.636	39%	0.39	S	S	*	.			trans	-75.6	150	172.6	0	0	0	0	0	111.1	V547	A545-V547 HydrophobicContact CB-CG2 4.48Å; A545-V547 PolarHBondContact O-N 3.3Å
546	R	91.4	Very high	91.1	Very high	84 Å²	84	70.1 Å²	70.1	32%	0.317	41%	0.412	S	S	.	.			trans	-66.8	111.8	168.2	-175.7	164.2	-179.6	-141.8	-2.3	109.3	F231 F232 L233 D312 Y314	F231-R546 WeakPolarHBondContact O-CB 3.45Å; F231-R546 WeakPolarHBondContact O-CD 3.23Å; F231-R546 WeakPolarHBondContact O-CG 3.48Å; F232-R546 WeakPolarHBondContact O-CD 3.33Å; L233-R546 VanDerWaalsContact CA-CZ 3.49Å; L233-R546 PolarHBondContact O-NH1 3.48Å; D312-R546 PolarHBondContact O-NH2 2.84Å; D312-R546 IonicContact OD1-NH2 3.74Å; D312-R546 IonicContact OD2-NH2 2.7Å; Y314-R546 HydrophobicContact CD2-CG 3.79Å; Y314-R546 HydrophobicContact CE2-CG 4.36Å
547	V	88.2	Confident	90.9	Very high	108 Å²	108	70.8 Å²	70.8	66%	0.655	42%	0.415	S	S	*	.			trans	-119.2	129.3	177.6	-179.1	0	0	0	0	108.9	A545	A545-V547 HydrophobicContact CB-CG2 4.48Å; A545-V547 PolarHBondContact O-N 3.3Å
548	A	84.2	Confident	90.6	Very high	58 Å²	58	63.3 Å²	63.3	48%	0.479	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-63.9	134.4	173.2	0	0	0	0	0	109.7	Y314 S550	Y314-A548 HydrophobicContact CD2-CB 4.16Å; Y314-A548 HydrophobicContact CE2-CB 3.87Å; A548-S550 PolarHBondContact O-N 2.88Å
549	P	80.8	Confident	90.4	Very high	66 Å²	66	65.4 Å²	65.4	43%	0.429	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-59.6	128.3	-177.8	-23.5	34.4	0	0	0	111.3	R633	P549-R633 VanDerWaalsContact CG-NH1 3.25Å
550	S	76.8	Confident	90.1	Very high	110 Å²	110	70.7 Å²	70.7	77%	0.769	42%	0.419	S	S	*	.	P	Polyproline II helix	trans	-67.6	137.7	177.7	53.6	0	0	0	0	111	A548 S552	A548-S550 PolarHBondContact O-N 2.88Å; S550-S552 PolarHBondContact O-N 3.29Å
551	S	75.3	Confident	89.9	Confident	126 Å²	126	69.6 Å²	69.6	88%	0.881	40%	0.404	S	S	*	.			trans	-69.5	101	170.7	57.7	0	0	0	0	109.6
552	S	81.6	Confident	89.6	Confident	44 Å²	44	69.3 Å²	69.3	31%	0.308	40%	0.403	S	S	.	.			trans	-80.4	145	168.3	49.1	0	0	0	0	110.2	S550	S550-S552 PolarHBondContact O-N 3.29Å
553	D	91.2	Very high	89	Confident	79 Å²	79	74.7 Å²	74.7	42%	0.422	42%	0.424	S	S	.	.			trans	-73.1	149.2	167.5	77.9	87.7	0	0	0	110	K555 S556 K557	D553-K555 PolarHBondContact O-N 2.82Å; D553-K555 VanDerWaalsContact O-N 3.15Å; D553-K555 WeakPolarHBondContact OD1-CA 3.29Å; D553-K555 VanDerWaalsContact OD1-CB 3.31Å; D553-K555 WeakPolarHBondContact OD1-CB 3.44Å; D553-K555 PolarHBondContact OD1-N 3.21Å; D553-S556 PolarHBondContact O-N 3.18Å; D553-S556 PolarHBondContact OD1-N 3.2Å; D553-S556 PolarHBondContact OD1-OG 2.83Å; D553-S556 WeakPolarHBondContact OD2-CB 3.26Å; D553-S556 PolarHBondContact OD2-OG 3.4Å; D553-K557 WeakPolarHBondContact O-CB 3.35Å; D553-K557 PolarHBondContact O-N 3.39Å
554	P	93.7	Very high	87.9	Confident	19 Å²	19	73.7 Å²	73.7	12%	0.123	44%	0.436	C	S	.	.	H	α-helix	trans	-59.8	-28.2	-176.1	-24.4	32.5	0	0	0	114.6	F558 I604 L606 Y612 W622	P554-F558 VanDerWaalsContact O-CB 3.27Å; P554-F558 WeakPolarHBondContact O-CB 3.15Å; P554-F558 PolarHBondContact O-N 2.81Å; P554-I604 HydrophobicContact CB-CG2 4.11Å; P554-L606 HydrophobicContact CB-CD1 4.44Å; P554-L606 HydrophobicContact CG-CD1 3.98Å; P554-Y612 HydrophobicContact CB-CD1 4.47Å; P554-Y612 HydrophobicContact CB-CD2 4.35Å; P554-Y612 HydrophobicContact CB-CG 4.13Å; P554-Y612 HydrophobicContact CG-CD1 3.62Å; P554-Y612 HydrophobicContact CG-CD2 3.66Å; P554-Y612 HydrophobicContact CG-CE1 3.79Å; P554-Y612 HydrophobicContact CG-CE2 3.85Å; P554-Y612 HydrophobicContact CG-CG 3.57Å; P554-W622 HydrophobicContact CB-CB 3.69Å; P554-W622 HydrophobicContact CB-CD2 4.05Å; P554-W622 HydrophobicContact CB-CG 3.64Å; P554-W622 HydrophobicContact CG-CB 4.2Å
555	K	92.7	Very high	87.3	Confident	117 Å²	117	69.9 Å²	69.9	51%	0.509	42%	0.422	S	S	.	.	H	α-helix	trans	-77.4	-49.9	-176.9	-178.3	175.7	177.5	173.9	0	110.6	D553 K557 F558 F559	D553-K555 PolarHBondContact O-N 2.82Å; D553-K555 VanDerWaalsContact O-N 3.15Å; D553-K555 WeakPolarHBondContact OD1-CA 3.29Å; D553-K555 VanDerWaalsContact OD1-CB 3.31Å; D553-K555 WeakPolarHBondContact OD1-CB 3.44Å; D553-K555 PolarHBondContact OD1-N 3.21Å; K555-K557 VanDerWaalsContact C-N 3.28Å; K555-K557 PolarHBondContact O-N 2.79Å; K555-F558 PolarHBondContact O-N 3.16Å; K555-F559 HydrophobicContact CD-CE2 4.39Å; K555-F559 HydrophobicContact CG-CD2 4.1Å; K555-F559 HydrophobicContact CG-CE2 3.75Å; K555-F559 WeakPolarHBondContact O-CD2 3.25Å; K555-F559 PolarHBondContact O-N 3.41Å; K555-F559 VanDerWaalsContact O-N 3.12Å
556	S	92.1	Very high	86.8	Confident	67 Å²	67	73 Å²	73	47%	0.469	42%	0.423	S	S	.	.	H	α-helix	trans	-60.6	-41	174.8	-56.8	0	0	0	0	111	D553 F558 F559 E560	D553-S556 PolarHBondContact O-N 3.18Å; D553-S556 PolarHBondContact OD1-N 3.2Å; D553-S556 PolarHBondContact OD1-OG 2.83Å; D553-S556 WeakPolarHBondContact OD2-CB 3.26Å; D553-S556 PolarHBondContact OD2-OG 3.4Å; S556-F558 PolarHBondContact O-N 2.76Å; S556-F559 PolarHBondContact O-N 2.77Å; S556-E560 PolarHBondContact O-N 3.3Å
557	K	94.3	Very high	86.5	Confident	18 Å²	18	70.7 Å²	70.7	8%	0.078	42%	0.417	C	S	.	.	H	α-helix	trans	-66.3	-38.1	177.7	-168.1	55.9	170.9	-175.4	0	112.9	D553 K555 F559 E560 L561 I604 L606 D634	D553-K557 WeakPolarHBondContact O-CB 3.35Å; D553-K557 PolarHBondContact O-N 3.39Å; K555-K557 VanDerWaalsContact C-N 3.28Å; K555-K557 PolarHBondContact O-N 2.79Å; K557-F559 VanDerWaalsContact C-N 3.35Å; K557-F559 PolarHBondContact O-N 3.39Å; K557-E560 HydrophobicContact CD-CB 4.33Å; K557-E560 WeakPolarHBondContact CD-OE2 3.12Å; K557-E560 IonicContact NZ-OE1 3.96Å; K557-E560 PolarHBondContact NZ-OE1 2.92Å; K557-E560 IonicContact NZ-OE2 2.71Å; K557-E560 PolarHBondContact NZ-OE2 2.71Å; K557-E560 WeakPolarHBondContact O-CB 3.42Å; K557-E560 PolarHBondContact O-N 3.47Å; K557-L561 HydrophobicContact CD-CG 4.46Å; K557-L561 HydrophobicContact CG-CD1 4.45Å; K557-L561 HydrophobicContact CG-CG 4.43Å; K557-L561 WeakPolarHBondContact O-CG 3.43Å; K557-L561 PolarHBondContact O-N 2.72Å; K557-I604 HydrophobicContact CB-CD1 4.11Å; K557-I604 HydrophobicContact CG-CD1 4.06Å; K557-L606 HydrophobicContact CB-CD2 3.92Å; K557-L606 HydrophobicContact CG-CD2 3.62Å; K557-D634 WeakPolarHBondContact CE-OD1 3.47Å; K557-D634 IonicContact NZ-OD1 3.02Å; K557-D634 PolarHBondContact NZ-OD1 3.3Å
558	F	93.9	Very high	86.3	Confident	2 Å²	2	69.1 Å²	69.1	1%	0.009	40%	0.404	C	S	.	.	H	α-helix	trans	-58.6	-45.5	172.1	173.5	-102.4	0	0	0	111.8	P554 K555 S556 E560 L561 I562 I567 F570 I604 W614 W622 L636	P554-F558 VanDerWaalsContact O-CB 3.27Å; P554-F558 WeakPolarHBondContact O-CB 3.15Å; P554-F558 PolarHBondContact O-N 2.81Å; K555-F558 PolarHBondContact O-N 3.16Å; S556-F558 PolarHBondContact O-N 2.76Å; F558-E560 PolarHBondContact O-N 2.61Å; F558-L561 PolarHBondContact O-N 3.02Å; F558-I562 HydrophobicContact CD1-CD1 4.21Å; F558-I562 HydrophobicContact CD2-CG2 4.2Å; F558-I562 HydrophobicContact CE1-CD1 3.73Å; F558-I562 HydrophobicContact CE1-CG2 4.47Å; F558-I562 HydrophobicContact CE2-CG2 3.85Å; F558-I562 HydrophobicContact CZ-CD1 4.1Å; F558-I562 HydrophobicContact CZ-CG2 3.99Å; F558-I562 WeakPolarHBondContact O-CG1 2.97Å; F558-I562 WeakPolarHBondContact O-CG2 3.33Å; F558-I562 PolarHBondContact O-N 2.87Å; F558-I562 VanDerWaalsContact O-N 3.07Å; F558-I567 HydrophobicContact CE1-CD1 4.35Å; F558-I567 HydrophobicContact CE1-CG1 4.43Å; F558-F570 HydrophobicContact CE2-CD1 4.04Å; F558-F570 AromaticContact CE2-CE1 3.81Å; F558-F570 HydrophobicContact CE2-CE1 3.81Å; F558-F570 HydrophobicContact CE2-CZ 4.21Å; F558-F570 AromaticContact CZ-CD1 3.72Å; F558-F570 HydrophobicContact CZ-CD1 3.72Å; F558-F570 AromaticContact CZ-CD2 3.98Å; F558-F570 HydrophobicContact CZ-CD2 3.98Å; F558-F570 AromaticContact CZ-CE1 3.72Å; F558-F570 HydrophobicContact CZ-CE1 3.72Å; F558-F570 AromaticContact CZ-CE2 3.99Å; F558-F570 HydrophobicContact CZ-CE2 3.99Å; F558-F570 AromaticContact CZ-CG 3.87Å; F558-F570 HydrophobicContact CZ-CG 3.87Å; F558-F570 AromaticContact CZ-CZ 3.87Å; F558-F570 HydrophobicContact CZ-CZ 3.87Å; F558-I604 HydrophobicContact CB-CD1 4.14Å; F558-W614 HydrophobicContact CE1-CH2 4.41Å; F558-W614 HydrophobicContact CE1-CZ3 4.04Å; F558-W614 HydrophobicContact CE2-CZ3 4.27Å; F558-W614 HydrophobicContact CZ-CE3 4.37Å; F558-W614 HydrophobicContact CZ-CH2 4.39Å; F558-W614 AromaticContact CZ-CZ3 3.67Å; F558-W614 HydrophobicContact CZ-CZ3 3.67Å; F558-W622 HydrophobicContact CB-CZ2 3.77Å; F558-W622 HydrophobicContact CD1-CZ2 4.28Å; F558-W622 AromaticContact CD2-CH2 3.96Å; F558-W622 HydrophobicContact CD2-CH2 3.96Å; F558-W622 AromaticContact CD2-CZ2 3.54Å; F558-W622 HydrophobicContact CD2-CZ2 3.54Å; F558-W622 HydrophobicContact CE2-CH2 4.47Å; F558-W622 HydrophobicContact CE2-CZ2 4.16Å; F558-W622 HydrophobicContact CG-CH2 4.44Å; F558-W622 AromaticContact CG-CZ2 3.6Å; F558-W622 HydrophobicContact CG-CZ2 3.6Å; F558-L636 HydrophobicContact CD2-CD1 3.86Å; F558-L636 HydrophobicContact CD2-CD2 3.97Å; F558-L636 HydrophobicContact CE2-CD1 4.07Å; F558-L636 HydrophobicContact CE2-CD2 3.93Å
559	F	92.1	Very high	86.5	Confident	89 Å²	89	67.7 Å²	67.7	39%	0.39	39%	0.389	S	S	.	.	H	α-helix	trans	-63.3	-38.1	176.5	-76.2	-65.2	0	0	0	113.5	K555 S556 K557 I562 Q563 I567	K555-F559 HydrophobicContact CD-CE2 4.39Å; K555-F559 HydrophobicContact CG-CD2 4.1Å; K555-F559 HydrophobicContact CG-CE2 3.75Å; K555-F559 WeakPolarHBondContact O-CD2 3.25Å; K555-F559 PolarHBondContact O-N 3.41Å; K555-F559 VanDerWaalsContact O-N 3.12Å; S556-F559 PolarHBondContact O-N 2.77Å; K557-F559 VanDerWaalsContact C-N 3.35Å; K557-F559 PolarHBondContact O-N 3.39Å; F559-I562 HydrophobicContact CD1-CD1 4.08Å; F559-Q563 PolarHBondContact O-N 2.7Å; F559-I567 HydrophobicContact CE1-CB 4.4Å; F559-I567 HydrophobicContact CE1-CD1 3.94Å; F559-I567 HydrophobicContact CZ-CD1 3.67Å
560	E	93.1	Very high	86.9	Confident	111 Å²	111	64.7 Å²	64.7	52%	0.519	37%	0.369	S	S	.	.	H	α-helix	trans	-60.2	-49	172.8	-169.3	-156.4	126.4	0	0	111.3	S556 K557 F558 I562 Q563	S556-E560 PolarHBondContact O-N 3.3Å; K557-E560 HydrophobicContact CD-CB 4.33Å; K557-E560 WeakPolarHBondContact CD-OE2 3.12Å; K557-E560 IonicContact NZ-OE1 3.96Å; K557-E560 PolarHBondContact NZ-OE1 2.92Å; K557-E560 IonicContact NZ-OE2 2.71Å; K557-E560 PolarHBondContact NZ-OE2 2.71Å; K557-E560 WeakPolarHBondContact O-CB 3.42Å; K557-E560 PolarHBondContact O-N 3.47Å; F558-E560 PolarHBondContact O-N 2.61Å; E560-I562 PolarHBondContact O-N 2.86Å; E560-Q563 VanDerWaalsContact O-CG 3.29Å; E560-Q563 WeakPolarHBondContact O-CG 3.16Å; E560-Q563 PolarHBondContact O-N 3.23Å
561	L	93.4	Very high	87.5	Confident	14 Å²	14	61.6 Å²	61.6	7%	0.073	35%	0.347	C	S	.	.	H	α-helix	trans	-68.2	-30.8	-176.9	-67.9	-177.3	0	0	0	113.8	K557 F558 I604 D634 L636 V665	K557-L561 HydrophobicContact CD-CG 4.46Å; K557-L561 HydrophobicContact CG-CD1 4.45Å; K557-L561 HydrophobicContact CG-CG 4.43Å; K557-L561 WeakPolarHBondContact O-CG 3.43Å; K557-L561 PolarHBondContact O-N 2.72Å; F558-L561 PolarHBondContact O-N 3.02Å; L561-I604 HydrophobicContact CD1-CD1 3.96Å; L561-I604 HydrophobicContact CD1-CG1 4.22Å; L561-D634 HydrophobicContact CD2-CB 4.03Å; L561-L636 HydrophobicContact CD1-CB 4.18Å; L561-V665 HydrophobicContact CB-CG2 4.36Å; L561-V665 HydrophobicContact CD2-CG1 4.35Å
562	I	90.9	Very high	88.2	Confident	2 Å²	2	60.3 Å²	60.3	1%	0.01	32%	0.324	C	S	.	.	H	α-helix	trans	-85.4	-8.4	178.8	71.5	179.6	0	0	0	113.6	F558 F559 E560 G564 T565 F570 L636 R672	F558-I562 HydrophobicContact CD1-CD1 4.21Å; F558-I562 HydrophobicContact CD2-CG2 4.2Å; F558-I562 HydrophobicContact CE1-CD1 3.73Å; F558-I562 HydrophobicContact CE1-CG2 4.47Å; F558-I562 HydrophobicContact CE2-CG2 3.85Å; F558-I562 HydrophobicContact CZ-CD1 4.1Å; F558-I562 HydrophobicContact CZ-CG2 3.99Å; F558-I562 WeakPolarHBondContact O-CG1 2.97Å; F558-I562 WeakPolarHBondContact O-CG2 3.33Å; F558-I562 PolarHBondContact O-N 2.87Å; F558-I562 VanDerWaalsContact O-N 3.07Å; F559-I562 HydrophobicContact CD1-CD1 4.08Å; E560-I562 PolarHBondContact O-N 2.86Å; I562-G564 PolarHBondContact O-N 3.31Å; I562-T565 WeakPolarHBondContact CD1-O 3.5Å; I562-T565 WeakPolarHBondContact O-CB 3.32Å; I562-T565 PolarHBondContact O-N 2.6Å; I562-T565 VanDerWaalsContact O-N 3.13Å; I562-T565 PolarHBondContact O-OG1 2.83Å; I562-F570 HydrophobicContact CB-CZ 4.42Å; I562-F570 HydrophobicContact CD1-CE2 4.21Å; I562-F570 HydrophobicContact CG2-CE1 4.37Å; I562-F570 HydrophobicContact CG2-CE2 4.26Å; I562-F570 HydrophobicContact CG2-CZ 3.65Å; I562-L636 HydrophobicContact CG2-CD2 3.85Å; I562-R672 PolarHBondContact O-NH1 3.46Å; I562-R672 PolarHBondContact O-NH2 2.74Å; I562-R672 VanDerWaalsContact O-NH2 3.17Å
563	Q	85.8	Confident	88.7	Confident	159 Å²	159	63.7 Å²	63.7	74%	0.743	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.5	50.1	173	-60.6	-173.1	-8.2	0	0	114.5	F559 E560 T565	F559-Q563 PolarHBondContact O-N 2.7Å; E560-Q563 VanDerWaalsContact O-CG 3.29Å; E560-Q563 WeakPolarHBondContact O-CG 3.16Å; E560-Q563 PolarHBondContact O-N 3.23Å; Q563-T565 PolarHBondContact O-N 2.76Å
564	G	72.8	Confident	88.8	Confident	75 Å²	75	61.5 Å²	61.5	77%	0.773	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.8	8.7	176.6	0	0	0	0	0	115.8	I562	I562-G564 PolarHBondContact O-N 3.31Å
565	T	78.4	Confident	88.9	Confident	43 Å²	43	63.9 Å²	63.9	26%	0.264	34%	0.337	S	S	.	.			trans	-60.7	137.2	166.7	-58.8	0	0	0	0	110.6	I562 Q563 I567 I569 F570 R672	I562-T565 WeakPolarHBondContact CD1-O 3.5Å; I562-T565 WeakPolarHBondContact O-CB 3.32Å; I562-T565 PolarHBondContact O-N 2.6Å; I562-T565 VanDerWaalsContact O-N 3.13Å; I562-T565 PolarHBondContact O-OG1 2.83Å; Q563-T565 PolarHBondContact O-N 2.76Å; T565-I567 PolarHBondContact O-N 3.4Å; T565-I569 HydrophobicContact CG2-CD1 3.8Å; T565-F570 HydrophobicContact CG2-CE2 4.14Å; T565-R672 PolarHBondContact OG1-NH1 2.75Å
566	E	81.1	Confident	89	Confident	141 Å²	141	62.9 Å²	62.9	66%	0.659	34%	0.337	S	S	*	.			trans	-58.7	125.9	179.6	-66.1	-177	169.8	0	0	111.7	D568 I569	E566-D568 PolarHBondContact O-N 2.65Å; E566-I569 HydrophobicContact CB-CD1 4.24Å; E566-I569 HydrophobicContact CB-CG1 4.35Å; E566-I569 WeakPolarHBondContact O-CB 3.28Å; E566-I569 PolarHBondContact O-N 3.47Å
567	I	83.9	Confident	89.1	Confident	37 Å²	37	60.4 Å²	60.4	19%	0.19	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-63.6	-26	-178.6	-173.4	163.4	0	0	0	112.6	F558 F559 T565 I569 F570 W614 Q618	F558-I567 HydrophobicContact CE1-CD1 4.35Å; F558-I567 HydrophobicContact CE1-CG1 4.43Å; F559-I567 HydrophobicContact CE1-CB 4.4Å; F559-I567 HydrophobicContact CE1-CD1 3.94Å; F559-I567 HydrophobicContact CZ-CD1 3.67Å; T565-I567 PolarHBondContact O-N 3.4Å; I567-I569 PolarHBondContact O-N 2.95Å; I567-F570 WeakPolarHBondContact O-CB 3.5Å; I567-F570 PolarHBondContact O-N 3.28Å; I567-W614 HydrophobicContact CD1-CH2 4.2Å; I567-W614 HydrophobicContact CD1-CZ2 4.42Å; I567-W614 HydrophobicContact CG1-CH2 4.02Å; I567-Q618 HydrophobicContact CD1-CG 4.4Å; I567-Q618 HydrophobicContact CG1-CG 4.43Å; I567-Q618 HydrophobicContact CG2-CG 4.32Å
568	D	85.3	Confident	89.1	Confident	74 Å²	74	62.5 Å²	62.5	40%	0.396	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-62.5	-27.5	180	-69.2	-25.8	0	0	0	112.8	E566 F570 S571 Q618	E566-D568 PolarHBondContact O-N 2.65Å; D568-F570 PolarHBondContact O-N 3.42Å; D568-F570 VanDerWaalsContact O-N 3.15Å; D568-S571 WeakPolarHBondContact O-CB 3.46Å; D568-S571 PolarHBondContact O-N 3.3Å; D568-S571 PolarHBondContact O-OG 2.79Å; D568-Q618 PolarHBondContact OD1-NE2 3.46Å
569	I	86.9	Confident	88.9	Confident	29 Å²	29	65.8 Å²	65.8	15%	0.149	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-54.9	-33.7	173.2	-65.8	172.1	0	0	0	111.3	T565 E566 I567 S571 Y572 H792 Y795	T565-I569 HydrophobicContact CG2-CD1 3.8Å; E566-I569 HydrophobicContact CB-CD1 4.24Å; E566-I569 HydrophobicContact CB-CG1 4.35Å; E566-I569 WeakPolarHBondContact O-CB 3.28Å; E566-I569 PolarHBondContact O-N 3.47Å; I567-I569 PolarHBondContact O-N 2.95Å; I569-S571 VanDerWaalsContact C-N 3.34Å; I569-Y572 VanDerWaalsContact O-CD2 3.29Å; I569-Y572 WeakPolarHBondContact O-CD2 3.33Å; I569-H792 HydrophobicContact CD1-CB 4.34Å; I569-H792 HydrophobicContact CG2-CB 3.76Å; I569-Y795 WeakPolarHBondContact O-CD1 3.39Å; I569-Y795 WeakPolarHBondContact O-CE1 3.42Å
570	F	89.4	Confident	88.9	Confident	2 Å²	2	70.2 Å²	70.2	1%	0.009	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-81.6	-14.2	-178.1	-61.2	-99.1	0	0	0	113.2	F558 I562 T565 I567 D568 F602 W614 G616 L664 F791 Y795	F558-F570 HydrophobicContact CE2-CD1 4.04Å; F558-F570 AromaticContact CE2-CE1 3.81Å; F558-F570 HydrophobicContact CE2-CE1 3.81Å; F558-F570 HydrophobicContact CE2-CZ 4.21Å; F558-F570 AromaticContact CZ-CD1 3.72Å; F558-F570 HydrophobicContact CZ-CD1 3.72Å; F558-F570 AromaticContact CZ-CD2 3.98Å; F558-F570 HydrophobicContact CZ-CD2 3.98Å; F558-F570 AromaticContact CZ-CE1 3.72Å; F558-F570 HydrophobicContact CZ-CE1 3.72Å; F558-F570 AromaticContact CZ-CE2 3.99Å; F558-F570 HydrophobicContact CZ-CE2 3.99Å; F558-F570 AromaticContact CZ-CG 3.87Å; F558-F570 HydrophobicContact CZ-CG 3.87Å; F558-F570 AromaticContact CZ-CZ 3.87Å; F558-F570 HydrophobicContact CZ-CZ 3.87Å; I562-F570 HydrophobicContact CB-CZ 4.42Å; I562-F570 HydrophobicContact CD1-CE2 4.21Å; I562-F570 HydrophobicContact CG2-CE1 4.37Å; I562-F570 HydrophobicContact CG2-CE2 4.26Å; I562-F570 HydrophobicContact CG2-CZ 3.65Å; T565-F570 HydrophobicContact CG2-CE2 4.14Å; I567-F570 WeakPolarHBondContact O-CB 3.5Å; I567-F570 PolarHBondContact O-N 3.28Å; D568-F570 PolarHBondContact O-N 3.42Å; D568-F570 VanDerWaalsContact O-N 3.15Å; F570-F602 HydrophobicContact CB-CD2 4.49Å; F570-F602 HydrophobicContact CB-CE2 3.9Å; F570-F602 HydrophobicContact CB-CZ 4.23Å; F570-F602 HydrophobicContact CD1-CD1 4.07Å; F570-F602 HydrophobicContact CD1-CD2 4.27Å; F570-F602 AromaticContact CD1-CE1 3.65Å; F570-F602 HydrophobicContact CD1-CE1 3.65Å; F570-F602 AromaticContact CD1-CE2 3.88Å; F570-F602 HydrophobicContact CD1-CE2 3.88Å; F570-F602 HydrophobicContact CD1-CG 4.36Å; F570-F602 AromaticContact CD1-CZ 3.55Å; F570-F602 HydrophobicContact CD1-CZ 3.55Å; F570-F602 HydrophobicContact CE1-CD1 4.47Å; F570-F602 HydrophobicContact CE1-CE1 4.1Å; F570-F602 HydrophobicContact CE1-CZ 4.39Å; F570-F602 HydrophobicContact CG-CE2 4.4Å; F570-F602 HydrophobicContact CG-CZ 4.33Å; F570-F602 WeakPolarHBondContact O-CE2 3.29Å; F570-W614 HydrophobicContact CB-CH2 3.75Å; F570-W614 HydrophobicContact CB-CZ3 3.61Å; F570-W614 HydrophobicContact CD1-CZ3 4.37Å; F570-W614 HydrophobicContact CG-CZ3 4.14Å; F570-G616 WeakPolarHBondContact O-CA 3.28Å; F570-L664 HydrophobicContact CE1-CD2 3.57Å; F570-L664 HydrophobicContact CZ-CD2 4.13Å; F570-F791 HydrophobicContact CE1-CE1 4.48Å; F570-Y795 PolarHBondContact O-OH 3.1Å
571	S	89.3	Confident	88.9	Confident	46 Å²	46	65.8 Å²	65.8	32%	0.322	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-84.8	-17.6	-178.6	77	0	0	0	0	114.1	D568 I569 K573 G616	D568-S571 WeakPolarHBondContact O-CB 3.46Å; D568-S571 PolarHBondContact O-N 3.3Å; D568-S571 PolarHBondContact O-OG 2.79Å; I569-S571 VanDerWaalsContact C-N 3.34Å; S571-K573 PolarHBondContact O-N 3.31Å; S571-G616 WeakPolarHBondContact CA-O 3.16Å; S571-G616 WeakPolarHBondContact CB-O 3.44Å; S571-G616 PolarHBondContact N-O 3.19Å
572	Y	90	Very high	88.9	Confident	99 Å²	99	65.6 Å²	65.6	39%	0.388	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-59.1	121	-175.6	-71.2	-58.7	0	0	0	112.9	I569 Y795 Y796 R798	I569-Y572 VanDerWaalsContact O-CD2 3.29Å; I569-Y572 WeakPolarHBondContact O-CD2 3.33Å; Y572-Y795 PolarHBondContact O-OH 2.93Å; Y572-Y796 AromaticContact CD1-CD2 3.93Å; Y572-Y796 HydrophobicContact CD1-CD2 3.93Å; Y572-Y796 HydrophobicContact CD1-CE2 4Å; Y572-Y796 AromaticContact CD2-CD2 3.6Å; Y572-Y796 HydrophobicContact CD2-CD2 3.6Å; Y572-Y796 HydrophobicContact CD2-CE2 4.37Å; Y572-Y796 AromaticContact CE1-CD2 3.94Å; Y572-Y796 HydrophobicContact CE1-CD2 3.94Å; Y572-Y796 AromaticContact CE1-CE2 3.72Å; Y572-Y796 HydrophobicContact CE1-CE2 3.72Å; Y572-Y796 AromaticContact CE2-CD2 3.58Å; Y572-Y796 HydrophobicContact CE2-CD2 3.58Å; Y572-Y796 HydrophobicContact CE2-CE2 4.09Å; Y572-Y796 AromaticContact CG-CD2 3.79Å; Y572-Y796 HydrophobicContact CG-CD2 3.79Å; Y572-Y796 HydrophobicContact CG-CE2 4.34Å; Y572-Y796 AromaticContact CZ-CD2 3.77Å; Y572-Y796 AromaticContact CZ-CE2 3.77Å; Y572-R798 PolarHBondContact O-NH1 2.86Å; Y572-R798 PolarHBondContact O-NH2 3.06Å
573	K	91.6	Very high	88.9	Confident	115 Å²	115	70 Å²	70	50%	0.5	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-80	148.8	170.6	-64.8	-56.7	-179.6	-170.1	0	111	S571 D615	S571-K573 PolarHBondContact O-N 3.31Å; K573-D615 PolarHBondContact NZ-O 2.99Å
574	P	94.2	Very high	89.1	Confident	32 Å²	32	69.8 Å²	69.8	21%	0.208	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-63.3	145.9	178.4	30.3	-37.4	0	0	0	110.3	Y749 R798 F800	P574-Y749 HydrophobicContact CB-CE1 4.17Å; P574-Y749 HydrophobicContact CG-CE1 4.21Å; P574-R798 HydrophobicContact CB-CG 3.9Å; P574-F800 HydrophobicContact CB-CB 3.72Å; P574-F800 HydrophobicContact CG-CB 3.86Å
575	T	96	Very high	90	Very high	69 Å²	69	66.3 Å²	66.3	42%	0.423	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	130.7	172.6	-65.4	0	0	0	0	109.5	T581 R798 L799 F800	T575-T581 HydrophobicContact CG2-CG2 3.89Å; T575-R798 PolarHBondContact N-O 3.23Å; T575-L799 HydrophobicContact CG2-CD2 3.97Å; T575-L799 CarbonylContact O-C 3.55Å; T575-L799 WeakPolarHBondContact O-CA 3.28Å; T575-F800 PolarHBondContact O-N 2.99Å
576	L	95.2	Very high	90.3	Very high	97 Å²	97	70 Å²	70	51%	0.508	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	139.6	179.5	-68.2	174.9	0	0	0	112	T578 T581 F800	L576-T578 PolarHBondContact O-N 3.19Å; L576-T581 PolarHBondContact O-OG1 3.11Å; L576-F800 CarbonylContact C-O 3.6Å; L576-F800 WeakPolarHBondContact CA-O 3.29Å; L576-F800 HydrophobicContact CD2-CD1 4.39Å
577	L	94.4	Very high	90.7	Very high	15 Å²	15	65 Å²	65	8%	0.079	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-77.7	119.1	171.4	-166.2	70.9	0	0	0	109.7	T581 L582 I585 I750 L799 F800 W801 L821 V826	L577-T581 WeakPolarHBondContact CA-OG1 3.41Å; L577-L582 HydrophobicContact CD1-CB 4.14Å; L577-L582 HydrophobicContact CD1-CD1 4.39Å; L577-I585 HydrophobicContact CD1-CD1 3.72Å; L577-I750 HydrophobicContact CD1-CD1 4.4Å; L577-I750 HydrophobicContact CD2-CD1 4.03Å; L577-L799 HydrophobicContact CD1-CD1 3.93Å; L577-F800 PolarHBondContact N-O 3.23Å; L577-W801 HydrophobicContact CB-CB 3.75Å; L577-W801 HydrophobicContact CB-CG 4.25Å; L577-W801 HydrophobicContact CD2-CB 3.68Å; L577-W801 HydrophobicContact CD2-CD2 4.16Å; L577-W801 HydrophobicContact CD2-CG 3.74Å; L577-W801 HydrophobicContact CG-CB 4.35Å; L577-L821 HydrophobicContact CD2-CD1 4Å; L577-L821 HydrophobicContact CG-CD1 3.76Å; L577-V826 HydrophobicContact CD2-CG2 4.26Å
578	T	93	Very high	91.1	Very high	61 Å²	61	63.2 Å²	63.2	37%	0.374	32%	0.315	S	S	.	.			trans	-138.2	165.2	179.7	64.9	0	0	0	0	107	L576 K580 T581 L582	L576-T578 PolarHBondContact O-N 3.19Å; T578-K580 PolarHBondContact O-N 3.43Å; T578-K580 VanDerWaalsContact O-N 3.08Å; T578-T581 PolarHBondContact N-OG1 2.88Å; T578-T581 PolarHBondContact O-N 3.04Å; T578-T581 PolarHBondContact O-OG1 3.37Å; T578-T581 PolarHBondContact OG1-N 3.47Å; T578-T581 PolarHBondContact OG1-OG1 2.85Å; T578-L582 WeakPolarHBondContact O-CB 3.29Å; T578-L582 PolarHBondContact O-N 2.75Å
579	S	90.5	Very high	91.5	Very high	72 Å²	72	60.4 Å²	60.4	50%	0.503	30%	0.299	S	S	.	.	H	α-helix	trans	-53.9	-35.2	177.6	-38	0	0	0	0	112.3	E583	S579-E583 WeakPolarHBondContact O-CG 3.38Å; S579-E583 PolarHBondContact O-N 2.65Å
580	K	91.8	Very high	91.8	Very high	181 Å²	181	59 Å²	59	79%	0.787	29%	0.292	S	S	*	.	H	α-helix	trans	-71	-27.2	176.7	-65.8	-179.3	-178.7	174.9	0	114.6	T578	T578-K580 PolarHBondContact O-N 3.43Å; T578-K580 VanDerWaalsContact O-N 3.08Å
581	T	93.6	Very high	92.2	Very high	18 Å²	18	59.9 Å²	59.9	11%	0.11	30%	0.296	C	S	.	.	H	α-helix	trans	-95.8	-27.3	179.2	47	0	0	0	0	112.2	T575 L576 L577 T578 E583 K584	T575-T581 HydrophobicContact CG2-CG2 3.89Å; L576-T581 PolarHBondContact O-OG1 3.11Å; L577-T581 WeakPolarHBondContact CA-OG1 3.41Å; T578-T581 PolarHBondContact N-OG1 2.88Å; T578-T581 PolarHBondContact O-N 3.04Å; T578-T581 PolarHBondContact O-OG1 3.37Å; T578-T581 PolarHBondContact OG1-N 3.47Å; T578-T581 PolarHBondContact OG1-OG1 2.85Å; T581-E583 VanDerWaalsContact C-N 3.33Å; T581-E583 PolarHBondContact O-N 2.96Å; T581-K584 WeakPolarHBondContact O-CB 3.35Å; T581-K584 PolarHBondContact O-N 3.37Å; T581-K584 VanDerWaalsContact O-N 3.16Å
582	L	93.2	Very high	92.5	Very high	11 Å²	11	58.5 Å²	58.5	6%	0.058	28%	0.283	C	S	.	.	H	α-helix	trans	-56.9	-45	168.9	-179.7	59.9	0	0	0	111.3	L577 T578 K584 I585 L821 V826 F829	L577-L582 HydrophobicContact CD1-CB 4.14Å; L577-L582 HydrophobicContact CD1-CD1 4.39Å; T578-L582 WeakPolarHBondContact O-CB 3.29Å; T578-L582 PolarHBondContact O-N 2.75Å; L582-K584 PolarHBondContact O-N 2.7Å; L582-I585 HydrophobicContact CD1-CD1 4.06Å; L582-I585 WeakPolarHBondContact O-CB 3.35Å; L582-I585 WeakPolarHBondContact O-CG1 3.34Å; L582-I585 PolarHBondContact O-N 2.78Å; L582-L821 HydrophobicContact CB-CD1 4.31Å; L582-L821 HydrophobicContact CD2-CD1 4.1Å; L582-L821 HydrophobicContact CD2-CD2 3.92Å; L582-V826 HydrophobicContact CD1-CG1 4.49Å; L582-V826 HydrophobicContact CD2-CG2 4.43Å; L582-F829 HydrophobicContact CD1-CB 4.3Å; L582-F829 HydrophobicContact CD1-CD1 3.52Å; L582-F829 HydrophobicContact CD1-CE1 3.95Å; L582-F829 HydrophobicContact CD1-CG 3.85Å; L582-F829 HydrophobicContact CD2-CB 3.96Å; L582-F829 HydrophobicContact CD2-CD2 4.34Å; L582-F829 HydrophobicContact CD2-CG 4.02Å; L582-F829 HydrophobicContact CG-CB 4.21Å; L582-F829 HydrophobicContact CG-CD1 3.88Å; L582-F829 HydrophobicContact CG-CD2 3.96Å; L582-F829 HydrophobicContact CG-CE1 4.27Å; L582-F829 HydrophobicContact CG-CE2 4.32Å; L582-F829 HydrophobicContact CG-CG 3.73Å; L582-F829 HydrophobicContact CG-CZ 4.47Å; L582-F829 WeakPolarHBondContact O-CE1 3.03Å; L582-F829 WeakPolarHBondContact O-CZ 3.32Å
583	E	91.3	Very high	92.9	Very high	94 Å²	94	53.8 Å²	53.8	44%	0.439	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-22.2	177	-73.9	-60.6	160.3	0	0	114.8	S579 T581 R586	S579-E583 WeakPolarHBondContact O-CG 3.38Å; S579-E583 PolarHBondContact O-N 2.65Å; T581-E583 VanDerWaalsContact C-N 3.33Å; T581-E583 PolarHBondContact O-N 2.96Å; E583-R586 PolarHBondContact O-NE 2.92Å; E583-R586 IonicContact OE2-CZ 3.52Å; E583-R586 IonicContact OE2-NE 3.6Å; E583-R586 IonicContact OE2-NH2 2.65Å; E583-R586 PolarHBondContact OE2-NH2 3.47Å
584	K	89.6	Confident	93.1	Very high	154 Å²	154	48.9 Å²	48.9	67%	0.67	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-9.1	177.9	-57.7	-178.6	-179.7	-177.9	0	113.4	T581 L582 R586	T581-K584 WeakPolarHBondContact O-CB 3.35Å; T581-K584 PolarHBondContact O-N 3.37Å; T581-K584 VanDerWaalsContact O-N 3.16Å; L582-K584 PolarHBondContact O-N 2.7Å; K584-R586 PolarHBondContact O-N 3.39Å
585	I	90.6	Very high	93.2	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.01	24%	0.235	C	C	.	.			trans	-82.9	69.4	179.9	-50.2	-178.6	0	0	0	109.6	L577 L582 Y591 L709 I750 L799 F829	L577-I585 HydrophobicContact CD1-CD1 3.72Å; L582-I585 HydrophobicContact CD1-CD1 4.06Å; L582-I585 WeakPolarHBondContact O-CB 3.35Å; L582-I585 WeakPolarHBondContact O-CG1 3.34Å; L582-I585 PolarHBondContact O-N 2.78Å; I585-Y591 HydrophobicContact CB-CE2 4.42Å; I585-Y591 HydrophobicContact CG2-CD1 4.11Å; I585-Y591 HydrophobicContact CG2-CD2 3.54Å; I585-Y591 HydrophobicContact CG2-CE1 4.14Å; I585-Y591 HydrophobicContact CG2-CE2 3.62Å; I585-Y591 HydrophobicContact CG2-CG 3.8Å; I585-L709 HydrophobicContact CG2-CD2 3.42Å; I585-L709 VanDerWaalsContact CG2-CD2 3.42Å; I585-I750 HydrophobicContact CD1-CD1 3.83Å; I585-I750 HydrophobicContact CD1-CG2 4.47Å; I585-L799 HydrophobicContact CD1-CD1 3.48Å; I585-L799 VanDerWaalsContact CD1-CD1 3.48Å; I585-L799 HydrophobicContact CG1-CD1 3.61Å; I585-F829 HydrophobicContact CB-CE1 4.23Å
586	R	85	Confident	93.1	Very high	121 Å²	121	44.3 Å²	44.3	46%	0.457	22%	0.215	S	C	.	.			trans	-136.6	129.1	-178.7	-60.9	-178.5	-174.6	-135.5	2.7	110.7	E583 K584 F829 H833	E583-R586 PolarHBondContact O-NE 2.92Å; E583-R586 IonicContact OE2-CZ 3.52Å; E583-R586 IonicContact OE2-NE 3.6Å; E583-R586 IonicContact OE2-NH2 2.65Å; E583-R586 PolarHBondContact OE2-NH2 3.47Å; K584-R586 PolarHBondContact O-N 3.39Å; R586-F829 HydrophobicContact CG-CZ 4.14Å; R586-H833 PolarHBondContact NH1-NE2 3.5Å; R586-H833 PolarHBondContact NH2-NE2 3.09Å; R586-H833 VanDerWaalsContact NH2-NE2 3.18Å
587	P	89.6	Confident	93.1	Very high	35 Å²	35	40.4 Å²	40.4	23%	0.227	20%	0.199	C	C	.	.	S	Bend	cis	-78.1	154.3	-7.6	34.2	-34.2	0	0	0	111.8	F589 D590 Y591 T759 M760	P587-F589 PolarHBondContact O-N 3.4Å; P587-D590 PolarHBondContact O-N 3Å; P587-Y591 WeakPolarHBondContact O-CD2 3.37Å; P587-T759 WeakPolarHBondContact CD-OG1 3.25Å; P587-T759 HydrophobicContact CG-CG2 4.43Å; P587-T759 WeakPolarHBondContact CG-OG1 3.42Å; P587-M760 VanDerWaalsContact CG-O 3.27Å; P587-M760 WeakPolarHBondContact CG-O 3.32Å
588	V	92.9	Very high	93.1	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-57.9	-34.5	-177.7	175.7	0	0	0	0	112.6	D590 Y591 L709 E710 I830 H833	V588-D590 PolarHBondContact O-N 3Å; V588-Y591 PolarHBondContact O-N 3.29Å; V588-Y591 VanDerWaalsContact O-N 3.1Å; V588-L709 HydrophobicContact CG1-CB 4.12Å; V588-L709 HydrophobicContact CG1-CD2 4.04Å; V588-L709 HydrophobicContact CG1-CG 3.94Å; V588-E710 HydrophobicContact CG1-CB 3.76Å; V588-I830 HydrophobicContact CG1-CG2 4.16Å; V588-H833 HydrophobicContact CG2-CB 3.72Å; V588-H833 WeakPolarHBondContact CG2-O 3.35Å
589	F	93.7	Very high	93	Very high	15 Å²	15	44 Å²	44	7%	0.066	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-64.2	-22.6	-175.7	-60.6	-43	0	0	0	114.8	P587 Y591 R592 E710 M760 F762 K769 R834	P587-F589 PolarHBondContact O-N 3.4Å; F589-Y591 PolarHBondContact O-N 3.23Å; F589-R592 PolarHBondContact O-NH1 3.49Å; F589-E710 HydrophobicContact CD1-CB 4.26Å; F589-E710 HydrophobicContact CD1-CG 4.1Å; F589-E710 HydrophobicContact CE1-CB 4.15Å; F589-E710 HydrophobicContact CE1-CG 3.98Å; F589-M760 HydrophobicContact CB-CB 3.64Å; F589-F762 HydrophobicContact CE2-CB 3.65Å; F589-F762 HydrophobicContact CZ-CB 3.99Å; F589-K769 HydrophobicContact CD1-CD 4.33Å; F589-K769 HydrophobicContact CG-CD 4.34Å; F589-R834 WeakPolarHBondContact CZ-O 3.45Å
590	D	93.9	Very high	93.2	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-67.5	-11.7	175.9	-75.8	8.3	0	0	0	112.5	P587 V588 R752 T753 V754 T759 M760	P587-D590 PolarHBondContact O-N 3Å; V588-D590 PolarHBondContact O-N 3Å; D590-R752 HydrophobicContact CB-CG 4.13Å; D590-R752 IonicContact OD2-CZ 2.62Å; D590-R752 IonicContact OD2-NE 2.73Å; D590-R752 PolarHBondContact OD2-NE 2.73Å; D590-R752 IonicContact OD2-NH2 3.22Å; D590-R752 PolarHBondContact OD2-NH2 2.82Å; D590-T753 PolarHBondContact O-N 3.06Å; D590-T753 PolarHBondContact O-OG1 3.19Å; D590-V754 HydrophobicContact CB-CB 4.09Å; D590-V754 HydrophobicContact CB-CG2 4.12Å; D590-T759 WeakPolarHBondContact OD1-CA 3.5Å; D590-T759 PolarHBondContact OD1-OG1 2.87Å; D590-T759 PolarHBondContact OD2-OG1 2.91Å; D590-M760 WeakPolarHBondContact OD1-CB 3.5Å; D590-M760 PolarHBondContact OD1-N 3.34Å
591	Y	96.2	Very high	93.4	Very high	20 Å²	20	35.2 Å²	35.2	8%	0.078	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	151.1	-166.8	-64.4	-95.6	0	0	0	114.1	I585 P587 V588 F589 L709 I750 V751 R752	I585-Y591 HydrophobicContact CB-CE2 4.42Å; I585-Y591 HydrophobicContact CG2-CD1 4.11Å; I585-Y591 HydrophobicContact CG2-CD2 3.54Å; I585-Y591 HydrophobicContact CG2-CE1 4.14Å; I585-Y591 HydrophobicContact CG2-CE2 3.62Å; I585-Y591 HydrophobicContact CG2-CG 3.8Å; P587-Y591 WeakPolarHBondContact O-CD2 3.37Å; V588-Y591 PolarHBondContact O-N 3.29Å; V588-Y591 VanDerWaalsContact O-N 3.1Å; F589-Y591 PolarHBondContact O-N 3.23Å; Y591-L709 HydrophobicContact CG-CD2 4.13Å; Y591-L709 WeakPolarHBondContact O-CB 3.34Å; Y591-L709 PolarHBondContact O-N 3.41Å; Y591-L709 VanDerWaalsContact O-N 3.09Å; Y591-I750 HydrophobicContact CD1-CG2 3.8Å; Y591-I750 HydrophobicContact CG-CG2 4.23Å; Y591-V751 CarbonylContact C-O 3.56Å; Y591-V751 VanDerWaalsContact CA-O 3.31Å; Y591-V751 WeakPolarHBondContact CA-O 3.43Å; Y591-R752 HydrophobicContact CD1-CB 3.85Å; Y591-R752 HydrophobicContact CD1-CG 4.17Å; Y591-R752 HydrophobicContact CE1-CB 3.58Å; Y591-R752 HydrophobicContact CE1-CG 3.82Å; Y591-R752 HydrophobicContact CE2-CG 4.3Å
592	R	96.8	Very high	93.6	Very high	17 Å²	17	34.4 Å²	34.4	6%	0.064	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	159.7	169.6	-57.2	-60.4	172.1	-98.8	-9.1	109.8	F589 F676 N677 V706 Y707 I750 V751 T753	F589-R592 PolarHBondContact O-NH1 3.49Å; R592-F676 HydrophobicContact CB-CD1 4.34Å; R592-F676 HydrophobicContact CB-CE1 3.95Å; R592-F676 HydrophobicContact CG-CD1 4.07Å; R592-F676 HydrophobicContact CG-CE1 4.15Å; R592-N677 PolarHBondContact NE-OD1 2.74Å; R592-V706 HydrophobicContact CB-CG1 3.78Å; R592-V706 HydrophobicContact CG-CG1 4.09Å; R592-Y707 CarbonylContact C-O 3.56Å; R592-Y707 VanDerWaalsContact CA-O 3.26Å; R592-Y707 WeakPolarHBondContact CA-O 3.44Å; R592-Y707 WeakPolarHBondContact CB-O 3.41Å; R592-I750 CarbonylContact O-C 3.4Å; R592-I750 WeakPolarHBondContact O-CA 3.03Å; R592-V751 PolarHBondContact N-O 3.42Å; R592-V751 PolarHBondContact O-N 3.38Å; R592-T753 HydrophobicContact CB-CG2 4.2Å; R592-T753 HydrophobicContact CG-CG2 3.52Å
593	C	96.9	Very high	93.8	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.007	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	155.1	175.7	56.3	0	0	0	0	113.4	Y707 L709 M712 L748 Y749 I750	C593-Y707 PolarHBondContact N-O 3.45Å; C593-Y707 PolarHBondContact O-N 2.9Å; C593-L709 HydrophobicContact CB-CD1 4.21Å; C593-M712 HydrophobicContact CB-CE 4.39Å; C593-L748 HydrophobicContact CB-CD1 4.29Å; C593-L748 HydrophobicContact CB-CD2 3.74Å; C593-L748 HydrophobicContact CB-CG 4.13Å; C593-Y749 WeakPolarHBondContact CA-O 3.32Å; C593-Y749 WeakPolarHBondContact CB-O 3.34Å; C593-I750 HydrophobicContact CB-CG1 4.39Å
594	M	96.3	Very high	94.1	Very high	11 Å²	11	29.4 Å²	29.4	5%	0.054	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	137.7	-178.5	55.2	-169.5	171	0	0	110.8	L661 K704 L748 Y749 V751	M594-L661 HydrophobicContact CE-CB 4.15Å; M594-L661 HydrophobicContact CE-CD2 3.81Å; M594-L661 HydrophobicContact CG-CD2 4.21Å; M594-L661 HydrophobicContact SD-CB 4.35Å; M594-L661 HydrophobicContact SD-CD2 3.58Å; M594-L661 VanDerWaalsContact SD-CD2 3.58Å; M594-K704 HydrophobicContact CB-CB 4.48Å; M594-K704 HydrophobicContact SD-CB 4.5Å; M594-L748 WeakPolarHBondContact O-CA 3.28Å; M594-Y749 HydrophobicContact CE-CD2 4.33Å; M594-Y749 HydrophobicContact CE-CG 4.31Å; M594-Y749 PolarHBondContact N-O 3.36Å; M594-Y749 PolarHBondContact O-N 2.87Å; M594-V751 HydrophobicContact CE-CG2 3.88Å
595	V	95.9	Very high	94.4	Very high	4 Å²	4	22.1 Å²	22.1	2%	0.024	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	125.1	-179.4	-175.7	0	0	0	0	110.1	K704 I715 Y735 F743 P745 W803	V595-K704 VanDerWaalsContact O-CE 3.31Å; V595-K704 WeakPolarHBondContact O-CE 3.5Å; V595-K704 PolarHBondContact O-NZ 3.22Å; V595-I715 HydrophobicContact CG2-CB 4.49Å; V595-I715 HydrophobicContact CG2-CD1 4.21Å; V595-I715 HydrophobicContact CG2-CG1 4.36Å; V595-I715 HydrophobicContact CG2-CG2 3.4Å; V595-Y735 HydrophobicContact CB-CD2 4.45Å; V595-Y735 HydrophobicContact CB-CG 4.43Å; V595-Y735 HydrophobicContact CG1-CD1 4.47Å; V595-Y735 HydrophobicContact CG1-CD2 4.3Å; V595-Y735 HydrophobicContact CG1-CG 4.07Å; V595-Y735 HydrophobicContact CG2-CD2 3.94Å; V595-Y735 HydrophobicContact CG2-CE2 3.81Å; V595-Y735 HydrophobicContact CG2-CG 4.41Å; V595-F743 HydrophobicContact CB-CZ 4.41Å; V595-F743 HydrophobicContact CG1-CE2 4.07Å; V595-F743 HydrophobicContact CG1-CZ 4.05Å; V595-P745 HydrophobicContact CG1-CB 3.6Å; V595-W803 HydrophobicContact CG1-CH2 4.45Å; V595-W803 HydrophobicContact CG1-CZ3 4.03Å; V595-W803 HydrophobicContact CG2-CH2 4.37Å
596	S	95.3	Very high	94.6	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.007	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	142.1	177.2	-179.3	0	0	0	0	111.4	S598 E640 P745 M746 G747	S596-S598 PolarHBondContact OG-O 3.29Å; S596-E640 WeakPolarHBondContact CA-OE2 3.44Å; S596-E640 VanDerWaalsContact CB-OE2 3.31Å; S596-E640 WeakPolarHBondContact CB-OE2 3.33Å; S596-E640 PolarHBondContact OG-OE2 3.39Å; S596-P745 CarbonylContact O-C 3.55Å; S596-P745 WeakPolarHBondContact O-CA 3.37Å; S596-M746 PolarHBondContact O-N 2.68Å; S596-G747 PolarHBondContact N-O 2.64Å
597	G	93.8	Very high	94.9	Very high	15 Å²	15	18.4 Å²	18.4	16%	0.155	10%	0.098	C	C	.	.	S	Bend	trans	-123.4	-0.5	177	0	0	0	0	0	114.4	E640	G597-E640 WeakPolarHBondContact CA-OE1 3.47Å; G597-E640 VanDerWaalsContact N-CD 3.35Å; G597-E640 PolarHBondContact N-OE1 2.87Å; G597-E640 PolarHBondContact N-OE2 2.84Å
598	S	94.4	Very high	95	Very high	34 Å²	34	21 Å²	21	24%	0.238	11%	0.106	C	C	.	.	S	Bend	trans	-163.7	171.3	175.4	-163.6	0	0	0	0	110.1	S596 I641 M746	S596-S598 PolarHBondContact OG-O 3.29Å; S598-I641 WeakPolarHBondContact CB-O 3.24Å; S598-I641 PolarHBondContact OG-O 3.35Å; S598-I641 VanDerWaalsContact OG-O 3.12Å; S598-M746 VanDerWaalsContact CA-SD 3.56Å
599	E	92.4	Very high	94.9	Very high	119 Å²	119	23.8 Å²	23.8	56%	0.556	13%	0.126	S	C	*	.			trans	-64.1	140.1	173.8	-66.3	-168.5	169.8	0	0	111.8
600	Q	94.4	Very high	94.9	Very high	22 Å²	22	26.7 Å²	26.7	10%	0.103	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	133.9	173.6	-172.5	-154.4	-27	0	0	111.4	S638 V639 L661 R798	Q600-S638 PolarHBondContact NE2-OG 2.78Å; Q600-V639 CarbonylContact C-O 3.58Å; Q600-V639 WeakPolarHBondContact CA-O 3.33Å; Q600-L661 HydrophobicContact CB-CD1 4.05Å; Q600-L661 HydrophobicContact CG-CD1 3.7Å; Q600-R798 VanDerWaalsContact OE1-NE 3.14Å
601	K	95.6	Very high	95.1	Very high	45 Å²	45	26.8 Å²	26.8	20%	0.196	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	161.3	171.7	-52.4	-170.7	177.2	-69.4	0	110.4	D615 V639	K601-D615 VanDerWaalsContact CD-OD1 3.25Å; K601-D615 WeakPolarHBondContact CD-OD1 3.48Å; K601-D615 WeakPolarHBondContact CE-OD1 3.48Å; K601-D615 VanDerWaalsContact CG-OD1 3.27Å; K601-D615 WeakPolarHBondContact CG-OD1 3.49Å; K601-D615 IonicContact NZ-OD1 3.54Å; K601-D615 PolarHBondContact NZ-OD1 2.91Å; K601-D615 IonicContact NZ-OD2 2.87Å; K601-D615 PolarHBondContact NZ-OD2 3.03Å; K601-D615 VanDerWaalsContact NZ-OD2 3.1Å; K601-V639 PolarHBondContact N-O 2.99Å; K601-V639 PolarHBondContact O-N 3.06Å
602	F	97.1	Very high	95.1	Very high	2 Å²	2	28 Å²	28	1%	0.009	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	145.9	160.8	-69.1	-77.3	0	0	0	109.7	F570 T613 W614 W622 L637 L664 F791 Y795	F570-F602 HydrophobicContact CB-CD2 4.49Å; F570-F602 HydrophobicContact CB-CE2 3.9Å; F570-F602 HydrophobicContact CB-CZ 4.23Å; F570-F602 HydrophobicContact CD1-CD1 4.07Å; F570-F602 HydrophobicContact CD1-CD2 4.27Å; F570-F602 AromaticContact CD1-CE1 3.65Å; F570-F602 HydrophobicContact CD1-CE1 3.65Å; F570-F602 AromaticContact CD1-CE2 3.88Å; F570-F602 HydrophobicContact CD1-CE2 3.88Å; F570-F602 HydrophobicContact CD1-CG 4.36Å; F570-F602 AromaticContact CD1-CZ 3.55Å; F570-F602 HydrophobicContact CD1-CZ 3.55Å; F570-F602 HydrophobicContact CE1-CD1 4.47Å; F570-F602 HydrophobicContact CE1-CE1 4.1Å; F570-F602 HydrophobicContact CE1-CZ 4.39Å; F570-F602 HydrophobicContact CG-CE2 4.4Å; F570-F602 HydrophobicContact CG-CZ 4.33Å; F570-F602 WeakPolarHBondContact O-CE2 3.29Å; F602-T613 CarbonylContact O-C 3.41Å; F602-T613 WeakPolarHBondContact O-CA 3.43Å; F602-W614 HydrophobicContact CB-CE3 4.2Å; F602-W614 HydrophobicContact CD2-CE3 4.01Å; F602-W614 HydrophobicContact CD2-CZ3 4.19Å; F602-W614 HydrophobicContact CG-CE3 4.38Å; F602-W614 PolarHBondContact N-O 3.31Å; F602-W614 PolarHBondContact O-N 3.1Å; F602-W622 HydrophobicContact CB-CH2 4.18Å; F602-L637 WeakPolarHBondContact CA-O 3.47Å; F602-L664 HydrophobicContact CE1-CD1 4.47Å; F602-L664 HydrophobicContact CE1-CD2 4.47Å; F602-F791 HydrophobicContact CE1-CE1 4.5Å; F602-F791 AromaticContact CE1-CZ 3.87Å; F602-F791 HydrophobicContact CE1-CZ 3.87Å; F602-F791 HydrophobicContact CZ-CZ 4.24Å; F602-Y795 AromaticContact CE2-CZ 3.99Å; F602-Y795 HydrophobicContact CZ-CE1 4.06Å; F602-Y795 AromaticContact CZ-CE2 3.98Å; F602-Y795 HydrophobicContact CZ-CE2 3.98Å; F602-Y795 AromaticContact CZ-CZ 3.65Å
603	L	97.9	Very high	95.1	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	130.3	178.6	-178.1	157.9	0	0	0	109.8	I611 Y612 T613 L625 L631 L636 L637 V639 I658	L603-I611 HydrophobicContact CD1-CG2 3.8Å; L603-I611 HydrophobicContact CD2-CG2 3.71Å; L603-I611 HydrophobicContact CG-CG2 3.73Å; L603-Y612 CarbonylContact C-O 3.54Å; L603-Y612 VanDerWaalsContact CA-O 3.31Å; L603-Y612 WeakPolarHBondContact CA-O 3.42Å; L603-T613 HydrophobicContact CB-CG2 4.24Å; L603-T613 HydrophobicContact CD1-CG2 4.2Å; L603-T613 HydrophobicContact CG-CG2 4.24Å; L603-L625 HydrophobicContact CD1-CD2 3.83Å; L603-L631 HydrophobicContact CD2-CD1 3.51Å; L603-L636 WeakPolarHBondContact O-CA 3.35Å; L603-L637 HydrophobicContact CD2-CD1 4.22Å; L603-L637 PolarHBondContact N-O 3.17Å; L603-L637 PolarHBondContact O-N 3.25Å; L603-V639 HydrophobicContact CB-CG1 4.05Å; L603-V639 HydrophobicContact CB-CG2 3.66Å; L603-V639 HydrophobicContact CD1-CG1 4.4Å; L603-V639 HydrophobicContact CD1-CG2 4.02Å; L603-I658 HydrophobicContact CD1-CD1 3.87Å; L603-I658 HydrophobicContact CD1-CG1 4.42Å; L603-I658 HydrophobicContact CD1-CG2 4.06Å
604	I	97.5	Very high	95.1	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	132.7	174.4	-165.4	171.5	0	0	0	110.7	P554 K557 F558 L561 L606 I611 Y612 W622 T635 L636	P554-I604 HydrophobicContact CB-CG2 4.11Å; K557-I604 HydrophobicContact CB-CD1 4.11Å; K557-I604 HydrophobicContact CG-CD1 4.06Å; F558-I604 HydrophobicContact CB-CD1 4.14Å; L561-I604 HydrophobicContact CD1-CD1 3.96Å; L561-I604 HydrophobicContact CD1-CG1 4.22Å; I604-L606 HydrophobicContact CD1-CD2 4.11Å; I604-L606 HydrophobicContact CG1-CD2 4.12Å; I604-I611 WeakPolarHBondContact O-CA 3.4Å; I604-Y612 PolarHBondContact N-O 2.85Å; I604-Y612 PolarHBondContact O-N 3.47Å; I604-W622 HydrophobicContact CB-CE3 4.46Å; I604-W622 HydrophobicContact CB-CH2 4.11Å; I604-W622 HydrophobicContact CB-CZ3 3.85Å; I604-W622 HydrophobicContact CG2-CD2 4.23Å; I604-W622 HydrophobicContact CG2-CE3 3.55Å; I604-W622 HydrophobicContact CG2-CH2 4.03Å; I604-W622 HydrophobicContact CG2-CZ3 3.43Å; I604-W622 VanDerWaalsContact CG2-CZ3 3.43Å; I604-T635 CarbonylContact C-O 3.43Å; I604-T635 VanDerWaalsContact CA-O 3.31Å; I604-T635 WeakPolarHBondContact CA-O 3.07Å; I604-L636 HydrophobicContact CB-CD1 4.36Å
605	G	96.3	Very high	94.8	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	123.1	173.3	0	0	0	0	0	110.8	R633 D634 T635	G605-R633 CarbonylContact O-C 3.59Å; G605-R633 WeakPolarHBondContact O-CA 3.28Å; G605-D634 PolarHBondContact O-N 3.04Å; G605-D634 VanDerWaalsContact O-N 3.15Å; G605-T635 PolarHBondContact N-O 3.38Å; G605-T635 PolarHBondContact O-N 3.12Å
606	L	94.6	Very high	94.4	Very high	36 Å²	36	29.7 Å²	29.7	19%	0.188	16%	0.156	C	C	.	.			trans	-104.2	14.4	176.9	-54.3	-176.6	0	0	0	112.5	P554 K557 I604 Q610 Y612	P554-L606 HydrophobicContact CB-CD1 4.44Å; P554-L606 HydrophobicContact CG-CD1 3.98Å; K557-L606 HydrophobicContact CB-CD2 3.92Å; K557-L606 HydrophobicContact CG-CD2 3.62Å; I604-L606 HydrophobicContact CD1-CD2 4.11Å; I604-L606 HydrophobicContact CG1-CD2 4.12Å; L606-Q610 HydrophobicContact CB-CB 3.97Å; L606-Q610 PolarHBondContact N-O 3.37Å; L606-Y612 HydrophobicContact CD1-CD2 4.11Å; L606-Y612 HydrophobicContact CD1-CE2 3.88Å; L606-Y612 HydrophobicContact CG-CD2 4.45Å
607	G	91.7	Very high	93.9	Very high	9 Å²	9	36.5 Å²	36.5	9%	0.093	18%	0.181	C	C	.	.	S	Bend	trans	99.1	146.3	-174.7	0	0	0	0	0	112.6	S609 Q610 L631	G607-S609 PolarHBondContact O-N 2.95Å; G607-Q610 WeakPolarHBondContact O-CB 3.49Å; G607-Q610 PolarHBondContact O-N 3.22Å; G607-L631 CarbonylContact C-O 3.57Å; G607-L631 WeakPolarHBondContact CA-O 3.27Å; G607-L631 PolarHBondContact N-O 3.08Å
608	K	90.4	Very high	93.1	Very high	89 Å²	89	41.1 Å²	41.1	39%	0.387	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	-131	178.5	-55.8	171.5	-175.6	167.4	0	109.7	E311 E319 Q610 E630 L631	E311-K608 VanDerWaalsContact CA-NZ 3.31Å; E311-K608 PolarHBondContact O-NZ 3.33Å; E319-K608 WeakPolarHBondContact OE1-CA 3.38Å; E319-K608 PolarHBondContact OE1-N 2.85Å; K608-Q610 VanDerWaalsContact C-N 3.33Å; K608-Q610 PolarHBondContact O-N 3.21Å; K608-E630 VanDerWaalsContact O-CA 3.32Å; K608-E630 WeakPolarHBondContact O-CA 3.34Å; K608-L631 PolarHBondContact N-O 3.31Å; K608-L631 PolarHBondContact O-N 2.76Å; K608-L631 VanDerWaalsContact O-N 3.09Å
609	S	91.8	Very high	92.4	Very high	60 Å²	60	44.2 Å²	44.2	42%	0.42	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	13.2	177.9	59.4	0	0	0	0	114.9	G607 I611 K624	G607-S609 PolarHBondContact O-N 2.95Å; S609-I611 VanDerWaalsContact C-N 3.3Å; S609-I611 PolarHBondContact O-N 3.26Å; S609-I611 VanDerWaalsContact O-N 3.12Å; S609-K624 WeakPolarHBondContact O-CE 3.4Å
610	Q	94.3	Very high	92	Very high	75 Å²	75	40.9 Å²	40.9	35%	0.35	21%	0.206	S	C	.	.			trans	-87.7	74	176.1	-55.1	-52	-36.6	0	0	110	L606 G607 K608 Y612	L606-Q610 HydrophobicContact CB-CB 3.97Å; L606-Q610 PolarHBondContact N-O 3.37Å; G607-Q610 WeakPolarHBondContact O-CB 3.49Å; G607-Q610 PolarHBondContact O-N 3.22Å; K608-Q610 VanDerWaalsContact C-N 3.33Å; K608-Q610 PolarHBondContact O-N 3.21Å; Q610-Y612 HydrophobicContact CB-CE2 4.16Å
611	I	96.7	Very high	91.9	Very high	3 Å²	3	50.2 Å²	50.2	2%	0.015	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	132	-177.4	-58.5	169.8	0	0	0	108.9	L603 I604 S609 L625 T629 L631	L603-I611 HydrophobicContact CD1-CG2 3.8Å; L603-I611 HydrophobicContact CD2-CG2 3.71Å; L603-I611 HydrophobicContact CG-CG2 3.73Å; I604-I611 WeakPolarHBondContact O-CA 3.4Å; S609-I611 VanDerWaalsContact C-N 3.3Å; S609-I611 PolarHBondContact O-N 3.26Å; S609-I611 VanDerWaalsContact O-N 3.12Å; I611-L625 HydrophobicContact CB-CB 4.4Å; I611-L625 HydrophobicContact CG2-CB 4.07Å; I611-L625 HydrophobicContact CG2-CD2 3.83Å; I611-L625 PolarHBondContact O-N 3.17Å; I611-T629 HydrophobicContact CD1-CG2 3.59Å; I611-L631 HydrophobicContact CD1-CB 4.02Å; I611-L631 HydrophobicContact CD1-CD1 4.01Å; I611-L631 HydrophobicContact CD1-CG 4.03Å; I611-L631 HydrophobicContact CG1-CB 4.2Å; I611-L631 HydrophobicContact CG1-CD1 4.33Å; I611-L631 HydrophobicContact CG2-CD1 4.44Å
612	Y	97.4	Very high	91.9	Very high	46 Å²	46	49.8 Å²	49.8	18%	0.18	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	147.9	-177.2	-61	-103.1	0	0	0	111.1	P554 L603 I604 L606 Q610 I623 K624	P554-Y612 HydrophobicContact CB-CD1 4.47Å; P554-Y612 HydrophobicContact CB-CD2 4.35Å; P554-Y612 HydrophobicContact CB-CG 4.13Å; P554-Y612 HydrophobicContact CG-CD1 3.62Å; P554-Y612 HydrophobicContact CG-CD2 3.66Å; P554-Y612 HydrophobicContact CG-CE1 3.79Å; P554-Y612 HydrophobicContact CG-CE2 3.85Å; P554-Y612 HydrophobicContact CG-CG 3.57Å; L603-Y612 CarbonylContact C-O 3.54Å; L603-Y612 VanDerWaalsContact CA-O 3.31Å; L603-Y612 WeakPolarHBondContact CA-O 3.42Å; I604-Y612 PolarHBondContact N-O 2.85Å; I604-Y612 PolarHBondContact O-N 3.47Å; L606-Y612 HydrophobicContact CD1-CD2 4.11Å; L606-Y612 HydrophobicContact CD1-CE2 3.88Å; L606-Y612 HydrophobicContact CG-CD2 4.45Å; Q610-Y612 HydrophobicContact CB-CE2 4.16Å; Y612-I623 CarbonylContact C-O 3.46Å; Y612-I623 WeakPolarHBondContact CA-O 3.45Å; Y612-K624 HydrophobicContact CD1-CB 3.91Å; Y612-K624 HydrophobicContact CE1-CB 3.73Å; Y612-K624 HydrophobicContact CE1-CD 4.5Å; Y612-K624 HydrophobicContact CE1-CG 4.23Å
613	T	97.1	Very high	91.8	Very high	13 Å²	13	54.8 Å²	54.8	8%	0.08	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	154	176.3	55.2	0	0	0	0	112.4	F602 L603 W622 I623 L625	F602-T613 CarbonylContact O-C 3.41Å; F602-T613 WeakPolarHBondContact O-CA 3.43Å; L603-T613 HydrophobicContact CB-CG2 4.24Å; L603-T613 HydrophobicContact CD1-CG2 4.2Å; L603-T613 HydrophobicContact CG-CG2 4.24Å; T613-W622 WeakPolarHBondContact O-CA 3.38Å; T613-I623 PolarHBondContact N-O 3.42Å; T613-I623 PolarHBondContact O-N 3.19Å; T613-L625 HydrophobicContact CG2-CB 4.42Å; T613-L625 HydrophobicContact CG2-CD1 4.36Å; T613-L625 HydrophobicContact CG2-CD2 4.27Å
614	W	95.7	Very high	91.7	Very high	6 Å²	6	59.6 Å²	59.6	2%	0.023	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	141.9	179.6	173.4	62.2	0	0	0	111.1	F558 I567 F570 F602 G616 R617 D620 W622	F558-W614 HydrophobicContact CE1-CH2 4.41Å; F558-W614 HydrophobicContact CE1-CZ3 4.04Å; F558-W614 HydrophobicContact CE2-CZ3 4.27Å; F558-W614 HydrophobicContact CZ-CE3 4.37Å; F558-W614 HydrophobicContact CZ-CH2 4.39Å; F558-W614 AromaticContact CZ-CZ3 3.67Å; F558-W614 HydrophobicContact CZ-CZ3 3.67Å; I567-W614 HydrophobicContact CD1-CH2 4.2Å; I567-W614 HydrophobicContact CD1-CZ2 4.42Å; I567-W614 HydrophobicContact CG1-CH2 4.02Å; F570-W614 HydrophobicContact CB-CH2 3.75Å; F570-W614 HydrophobicContact CB-CZ3 3.61Å; F570-W614 HydrophobicContact CD1-CZ3 4.37Å; F570-W614 HydrophobicContact CG-CZ3 4.14Å; F602-W614 HydrophobicContact CB-CE3 4.2Å; F602-W614 HydrophobicContact CD2-CE3 4.01Å; F602-W614 HydrophobicContact CD2-CZ3 4.19Å; F602-W614 HydrophobicContact CG-CE3 4.38Å; F602-W614 PolarHBondContact N-O 3.31Å; F602-W614 PolarHBondContact O-N 3.1Å; W614-G616 VanDerWaalsContact C-N 3.34Å; W614-G616 WeakPolarHBondContact CH2-O 3.24Å; W614-G616 WeakPolarHBondContact CZ2-O 3.5Å; W614-G616 PolarHBondContact O-N 3.26Å; W614-R617 WeakPolarHBondContact CZ2-O 3.38Å; W614-R617 PolarHBondContact NE1-O 3.03Å; W614-D620 PolarHBondContact NE1-O 2.97Å; W614-W622 HydrophobicContact CB-CD2 3.63Å; W614-W622 HydrophobicContact CB-CE3 3.52Å; W614-W622 HydrophobicContact CB-CG 4.34Å; W614-W622 HydrophobicContact CB-CH2 3.75Å; W614-W622 HydrophobicContact CB-CZ2 3.83Å; W614-W622 HydrophobicContact CB-CZ3 3.59Å; W614-W622 HydrophobicContact CD2-CZ2 4.12Å; W614-W622 HydrophobicContact CE3-CH2 4.18Å; W614-W622 AromaticContact CE3-CZ2 3.82Å; W614-W622 HydrophobicContact CE3-CZ2 3.82Å; W614-W622 HydrophobicContact CG-CD2 4.32Å; W614-W622 HydrophobicContact CG-CH2 4.49Å; W614-W622 HydrophobicContact CG-CZ2 4.17Å
615	D	91.1	Very high	91.6	Very high	46 Å²	46	60.7 Å²	60.7	25%	0.246	29%	0.29	C	S	.	.			trans	-93.6	10.2	-169.2	-64.8	-19	0	0	0	114.1	K573 K601	K573-D615 PolarHBondContact NZ-O 2.99Å; K601-D615 VanDerWaalsContact CD-OD1 3.25Å; K601-D615 WeakPolarHBondContact CD-OD1 3.48Å; K601-D615 WeakPolarHBondContact CE-OD1 3.48Å; K601-D615 VanDerWaalsContact CG-OD1 3.27Å; K601-D615 WeakPolarHBondContact CG-OD1 3.49Å; K601-D615 IonicContact NZ-OD1 3.54Å; K601-D615 PolarHBondContact NZ-OD1 2.91Å; K601-D615 IonicContact NZ-OD2 2.87Å; K601-D615 PolarHBondContact NZ-OD2 3.03Å; K601-D615 VanDerWaalsContact NZ-OD2 3.1Å
616	G	86	Confident	91.5	Very high	2 Å²	2	68.4 Å²	68.4	2%	0.021	33%	0.331	C	S	.	.	S	Bend	trans	87.6	-8.2	173.3	0	0	0	0	0	115.7	F570 S571 W614	F570-G616 WeakPolarHBondContact O-CA 3.28Å; S571-G616 WeakPolarHBondContact CA-O 3.16Å; S571-G616 WeakPolarHBondContact CB-O 3.44Å; S571-G616 PolarHBondContact N-O 3.19Å; W614-G616 VanDerWaalsContact C-N 3.34Å; W614-G616 WeakPolarHBondContact CH2-O 3.24Å; W614-G616 WeakPolarHBondContact CZ2-O 3.5Å; W614-G616 PolarHBondContact O-N 3.26Å
617	R	84.9	Confident	91.4	Very high	144 Å²	144	68 Å²	68	54%	0.543	33%	0.329	S	S	.	.			trans	-89	135.3	179.6	-36.9	177.3	-170.5	-154.3	-0.7	110.4	W614 S619 D620	W614-R617 WeakPolarHBondContact CZ2-O 3.38Å; W614-R617 PolarHBondContact NE1-O 3.03Å; R617-S619 PolarHBondContact O-N 3.4Å; R617-S619 VanDerWaalsContact O-N 3.09Å; R617-D620 HydrophobicContact CB-CB 4.48Å; R617-D620 VanDerWaalsContact CB-OD2 3.29Å; R617-D620 WeakPolarHBondContact CB-OD2 3.36Å; R617-D620 VanDerWaalsContact CD-OD2 3.25Å; R617-D620 WeakPolarHBondContact CD-OD2 3.35Å; R617-D620 WeakPolarHBondContact CG-OD2 3.43Å; R617-D620 IonicContact NE-OD2 2.72Å; R617-D620 WeakPolarHBondContact O-CB 3.42Å; R617-D620 PolarHBondContact O-N 2.58Å
618	Q	78.2	Confident	91.5	Very high	113 Å²	113	73.1 Å²	73.1	53%	0.528	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-28	-179.6	-62	-169.7	10.5	0	0	114.1	I567 D568 D620	I567-Q618 HydrophobicContact CD1-CG 4.4Å; I567-Q618 HydrophobicContact CG1-CG 4.43Å; I567-Q618 HydrophobicContact CG2-CG 4.32Å; D568-Q618 PolarHBondContact OD1-NE2 3.46Å; Q618-D620 VanDerWaalsContact C-N 3.29Å
619	S	79.8	Confident	91.7	Very high	98 Å²	98	69.2 Å²	69.2	69%	0.685	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-26.6	175.4	49.2	0	0	0	0	114	R617	R617-S619 PolarHBondContact O-N 3.4Å; R617-S619 VanDerWaalsContact O-N 3.09Å
620	D	84.5	Confident	91.8	Very high	50 Å²	50	69.1 Å²	69.1	27%	0.267	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-85.3	143.7	-164.8	-57	-6.8	0	0	0	110	W614 R617 Q618	W614-D620 PolarHBondContact NE1-O 2.97Å; R617-D620 HydrophobicContact CB-CB 4.48Å; R617-D620 VanDerWaalsContact CB-OD2 3.29Å; R617-D620 WeakPolarHBondContact CB-OD2 3.36Å; R617-D620 VanDerWaalsContact CD-OD2 3.25Å; R617-D620 WeakPolarHBondContact CD-OD2 3.35Å; R617-D620 WeakPolarHBondContact CG-OD2 3.43Å; R617-D620 IonicContact NE-OD2 2.72Å; R617-D620 WeakPolarHBondContact O-CB 3.42Å; R617-D620 PolarHBondContact O-N 2.58Å; Q618-D620 VanDerWaalsContact C-N 3.29Å
621	R	91.4	Very high	91.9	Very high	218 Å²	218	65.5 Å²	65.5	82%	0.823	31%	0.309	S	S	*	.	P	Polyproline II helix	trans	-87.1	151.9	176.9	-62.5	-177.9	-179	-174.7	-0.4	109.9	I623	R621-I623 PolarHBondContact O-N 2.89Å
622	W	95.1	Very high	91.8	Very high	35 Å²	35	65.4 Å²	65.4	13%	0.133	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-66.9	123.8	165.3	-73	91.6	0	0	0	109.5	P554 F558 F602 I604 T613 W614 L636	P554-W622 HydrophobicContact CB-CB 3.69Å; P554-W622 HydrophobicContact CB-CD2 4.05Å; P554-W622 HydrophobicContact CB-CG 3.64Å; P554-W622 HydrophobicContact CG-CB 4.2Å; F558-W622 HydrophobicContact CB-CZ2 3.77Å; F558-W622 HydrophobicContact CD1-CZ2 4.28Å; F558-W622 AromaticContact CD2-CH2 3.96Å; F558-W622 HydrophobicContact CD2-CH2 3.96Å; F558-W622 AromaticContact CD2-CZ2 3.54Å; F558-W622 HydrophobicContact CD2-CZ2 3.54Å; F558-W622 HydrophobicContact CE2-CH2 4.47Å; F558-W622 HydrophobicContact CE2-CZ2 4.16Å; F558-W622 HydrophobicContact CG-CH2 4.44Å; F558-W622 AromaticContact CG-CZ2 3.6Å; F558-W622 HydrophobicContact CG-CZ2 3.6Å; F602-W622 HydrophobicContact CB-CH2 4.18Å; I604-W622 HydrophobicContact CB-CE3 4.46Å; I604-W622 HydrophobicContact CB-CH2 4.11Å; I604-W622 HydrophobicContact CB-CZ3 3.85Å; I604-W622 HydrophobicContact CG2-CD2 4.23Å; I604-W622 HydrophobicContact CG2-CE3 3.55Å; I604-W622 HydrophobicContact CG2-CH2 4.03Å; I604-W622 HydrophobicContact CG2-CZ3 3.43Å; I604-W622 VanDerWaalsContact CG2-CZ3 3.43Å; T613-W622 WeakPolarHBondContact O-CA 3.38Å; W614-W622 HydrophobicContact CB-CD2 3.63Å; W614-W622 HydrophobicContact CB-CE3 3.52Å; W614-W622 HydrophobicContact CB-CG 4.34Å; W614-W622 HydrophobicContact CB-CH2 3.75Å; W614-W622 HydrophobicContact CB-CZ2 3.83Å; W614-W622 HydrophobicContact CB-CZ3 3.59Å; W614-W622 HydrophobicContact CD2-CZ2 4.12Å; W614-W622 HydrophobicContact CE3-CH2 4.18Å; W614-W622 AromaticContact CE3-CZ2 3.82Å; W614-W622 HydrophobicContact CE3-CZ2 3.82Å; W614-W622 HydrophobicContact CG-CD2 4.32Å; W614-W622 HydrophobicContact CG-CH2 4.49Å; W614-W622 HydrophobicContact CG-CZ2 4.17Å; W622-L636 HydrophobicContact CH2-CD1 4.44Å
623	I	96	Very high	91.6	Very high	108 Å²	108	66 Å²	66	55%	0.554	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.6	132.7	-178	-60.6	173.2	0	0	0	108.3	Y612 T613 R621 L625	Y612-I623 CarbonylContact C-O 3.46Å; Y612-I623 WeakPolarHBondContact CA-O 3.45Å; T613-I623 PolarHBondContact N-O 3.42Å; T613-I623 PolarHBondContact O-N 3.19Å; R621-I623 PolarHBondContact O-N 2.89Å; I623-L625 PolarHBondContact O-N 3.34Å
624	K	96.2	Very high	91.5	Very high	100 Å²	100	67.3 Å²	67.3	44%	0.435	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	131.8	176.4	-174.3	165.9	179.8	162.1	0	110.2	S609 Y612 D626	S609-K624 WeakPolarHBondContact O-CE 3.4Å; Y612-K624 HydrophobicContact CD1-CB 3.91Å; Y612-K624 HydrophobicContact CE1-CB 3.73Å; Y612-K624 HydrophobicContact CE1-CD 4.5Å; Y612-K624 HydrophobicContact CE1-CG 4.23Å; K624-D626 PolarHBondContact O-N 2.94Å
625	L	95.1	Very high	91.6	Very high	24 Å²	24	67 Å²	67	13%	0.126	32%	0.316	C	S	.	.			trans	-81.8	115.6	180	-176.3	59.7	0	0	0	110.5	L603 I611 T613 I623 L627 I641 I658	L603-L625 HydrophobicContact CD1-CD2 3.83Å; I611-L625 HydrophobicContact CB-CB 4.4Å; I611-L625 HydrophobicContact CG2-CB 4.07Å; I611-L625 HydrophobicContact CG2-CD2 3.83Å; I611-L625 PolarHBondContact O-N 3.17Å; T613-L625 HydrophobicContact CG2-CB 4.42Å; T613-L625 HydrophobicContact CG2-CD1 4.36Å; T613-L625 HydrophobicContact CG2-CD2 4.27Å; I623-L625 PolarHBondContact O-N 3.34Å; L625-L627 VanDerWaalsContact C-N 3.31Å; L625-L627 HydrophobicContact CD1-CD1 4.07Å; L625-L627 HydrophobicContact CD1-CG 4.07Å; L625-L627 HydrophobicContact CD2-CD1 3.95Å; L625-L627 HydrophobicContact CD2-CG 4.4Å; L625-L627 HydrophobicContact CG-CB 4.3Å; L625-L627 HydrophobicContact CG-CD1 4.03Å; L625-L627 HydrophobicContact CG-CG 3.97Å; L625-L627 PolarHBondContact O-N 2.96Å; L625-L627 VanDerWaalsContact O-N 3.07Å; L625-I641 HydrophobicContact CD1-CD1 4.09Å; L625-I641 HydrophobicContact CD1-CG1 4.32Å; L625-I641 HydrophobicContact CD2-CD1 4.07Å; L625-I658 HydrophobicContact CD2-CD1 3.76Å; L625-I658 HydrophobicContact CD2-CG1 4.14Å
626	D	93.1	Very high	91.9	Very high	161 Å²	161	64.9 Å²	64.9	86%	0.861	30%	0.304	S	S	*	.			trans	-84.2	72.5	176.7	-169.4	29.9	0	0	0	111.2	K624	K624-D626 PolarHBondContact O-N 2.94Å
627	L	93.8	Very high	92.5	Very high	27 Å²	27	64.8 Å²	64.8	14%	0.141	30%	0.303	C	S	.	.	S	Bend	trans	-133.4	143.8	170.4	-64.4	179.9	0	0	0	109.4	L625 T629 S656 I658 N699	L625-L627 VanDerWaalsContact C-N 3.31Å; L625-L627 HydrophobicContact CD1-CD1 4.07Å; L625-L627 HydrophobicContact CD1-CG 4.07Å; L625-L627 HydrophobicContact CD2-CD1 3.95Å; L625-L627 HydrophobicContact CD2-CG 4.4Å; L625-L627 HydrophobicContact CG-CB 4.3Å; L625-L627 HydrophobicContact CG-CD1 4.03Å; L625-L627 HydrophobicContact CG-CG 3.97Å; L625-L627 PolarHBondContact O-N 2.96Å; L625-L627 VanDerWaalsContact O-N 3.07Å; L627-T629 HydrophobicContact CB-CG2 4.2Å; L627-T629 PolarHBondContact O-N 3.41Å; L627-S656 VanDerWaalsContact CD2-CB 3.49Å; L627-I658 HydrophobicContact CD1-CD1 4.35Å; L627-I658 HydrophobicContact CD1-CG1 3.86Å; L627-N699 HydrophobicContact CB-CB 3.99Å; L627-N699 HydrophobicContact CD1-CB 4.43Å; L627-N699 HydrophobicContact CD2-CB 4.39Å
628	K	93.8	Very high	93.1	Very high	117 Å²	117	58.1 Å²	58.1	51%	0.509	28%	0.278	S	S	.	.	S	Bend	trans	-79.1	74.4	175.4	-163.9	179.8	-166.1	-175.7	0	109.7	D697 M698 N699	K628-D697 WeakPolarHBondContact CE-OD2 3.35Å; K628-D697 IonicContact NZ-OD2 2.68Å; K628-D697 PolarHBondContact NZ-OD2 3.47Å; K628-M698 CarbonylContact O-C 3.15Å; K628-M698 WeakPolarHBondContact O-CA 3.42Å; K628-M698 WeakPolarHBondContact O-CB 3.41Å; K628-N699 PolarHBondContact N-OD1 3.42Å; K628-N699 PolarHBondContact O-N 3.38Å
629	T	94	Very high	94	Very high	8 Å²	8	52.7 Å²	52.7	5%	0.049	25%	0.253	C	S	.	.			trans	-145.1	163.2	-179	-157.6	0	0	0	0	110.4	I611 L627 I658 N699	I611-T629 HydrophobicContact CD1-CG2 3.59Å; L627-T629 HydrophobicContact CB-CG2 4.2Å; L627-T629 PolarHBondContact O-N 3.41Å; T629-I658 HydrophobicContact CG2-CD1 3.74Å; T629-N699 WeakPolarHBondContact CB-O 3.33Å; T629-N699 PolarHBondContact OG1-O 2.93Å
630	E	94.2	Very high	94.8	Very high	57 Å²	57	48 Å²	48	27%	0.266	22%	0.221	S	C	.	.			trans	-132	140.2	-173.6	-69.2	174.2	179.9	0	0	110.1	E319 K608 K692 M698	E319-E630 HydrophobicContact CG-CB 4.02Å; K608-E630 VanDerWaalsContact O-CA 3.32Å; K608-E630 WeakPolarHBondContact O-CA 3.34Å; E630-K692 IonicContact OE2-NZ 3.98Å; E630-K692 PolarHBondContact OE2-NZ 3.47Å; E630-M698 HydrophobicContact CB-CE 4.09Å; E630-M698 HydrophobicContact CG-CE 3.95Å
631	L	95.5	Very high	95.4	Very high	0 Å²	0	47 Å²	47	0%	0	22%	0.215	C	C	.	.			trans	-138.6	138.3	176.8	-82.6	173.7	0	0	0	111.3	L603 G607 K608 I611 L637 F686 V690 I701	L603-L631 HydrophobicContact CD2-CD1 3.51Å; G607-L631 CarbonylContact C-O 3.57Å; G607-L631 WeakPolarHBondContact CA-O 3.27Å; G607-L631 PolarHBondContact N-O 3.08Å; K608-L631 PolarHBondContact N-O 3.31Å; K608-L631 PolarHBondContact O-N 2.76Å; K608-L631 VanDerWaalsContact O-N 3.09Å; I611-L631 HydrophobicContact CD1-CB 4.02Å; I611-L631 HydrophobicContact CD1-CD1 4.01Å; I611-L631 HydrophobicContact CD1-CG 4.03Å; I611-L631 HydrophobicContact CG1-CB 4.2Å; I611-L631 HydrophobicContact CG1-CD1 4.33Å; I611-L631 HydrophobicContact CG2-CD1 4.44Å; L631-L637 HydrophobicContact CD1-CD1 4.37Å; L631-F686 HydrophobicContact CD2-CE1 3.71Å; L631-F686 HydrophobicContact CD2-CZ 4.11Å; L631-V690 HydrophobicContact CD2-CG2 4.35Å; L631-I701 HydrophobicContact CD1-CD1 4.28Å; L631-I701 HydrophobicContact CD2-CD1 3.58Å; L631-I701 HydrophobicContact CG-CD1 3.84Å
632	P	95.3	Very high	95.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.176	C	C	.	.			trans	-46.9	144.2	167.9	-31.4	36.8	0	0	0	113	S317 E319 L320 T635 N667 F686 V690	S317-P632 VanDerWaalsContact OG-CA 3.31Å; S317-P632 WeakPolarHBondContact OG-CA 3.18Å; S317-P632 VanDerWaalsContact OG-CB 3.31Å; S317-P632 WeakPolarHBondContact OG-CB 3.28Å; E319-P632 HydrophobicContact CB-CG 4.13Å; L320-P632 HydrophobicContact CD2-CG 4.21Å; L320-P632 HydrophobicContact CG-CG 4.41Å; P632-T635 VanDerWaalsContact O-CB 3.3Å; P632-T635 WeakPolarHBondContact O-CB 3.39Å; P632-T635 PolarHBondContact O-OG1 3.39Å; P632-N667 HydrophobicContact CB-CB 4.01Å; P632-F686 HydrophobicContact CB-CE2 4.43Å; P632-F686 HydrophobicContact CB-CZ 4.37Å; P632-F686 HydrophobicContact CG-CE2 4.01Å; P632-F686 HydrophobicContact CG-CZ 3.93Å; P632-V690 VanDerWaalsContact CD-CG1 3.47Å; P632-V690 HydrophobicContact CG-CG1 3.66Å
633	R	93.3	Very high	95.6	Very high	60 Å²	60	39.3 Å²	39.3	23%	0.226	19%	0.189	C	C	.	.	S	Bend	trans	-58.7	161.3	168.5	73.2	-175	81.8	153.9	10.4	110.7	F313 Y314 A316 P549 G605 T635 N667	F313-R633 PolarHBondContact O-NH2 3.09Å; Y314-R633 PolarHBondContact O-NH1 3.3Å; Y314-R633 PolarHBondContact O-NH2 3.12Å; A316-R633 PolarHBondContact O-NH2 3.07Å; P549-R633 VanDerWaalsContact CG-NH1 3.25Å; G605-R633 CarbonylContact O-C 3.59Å; G605-R633 WeakPolarHBondContact O-CA 3.28Å; R633-T635 VanDerWaalsContact C-N 3.26Å; R633-T635 PolarHBondContact O-N 2.97Å; R633-N667 WeakPolarHBondContact O-CA 3.34Å; R633-N667 PolarHBondContact O-ND2 3.32Å
634	D	95	Very high	95.5	Very high	40 Å²	40	34.4 Å²	34.4	21%	0.214	16%	0.164	C	C	.	.	S	Bend	trans	60.9	35.3	177.5	-47.2	-31.9	0	0	0	112.6	K557 L561 G605 V665 N667 G668	K557-D634 WeakPolarHBondContact CE-OD1 3.47Å; K557-D634 IonicContact NZ-OD1 3.02Å; K557-D634 PolarHBondContact NZ-OD1 3.3Å; L561-D634 HydrophobicContact CD2-CB 4.03Å; G605-D634 PolarHBondContact O-N 3.04Å; G605-D634 VanDerWaalsContact O-N 3.15Å; D634-V665 WeakPolarHBondContact O-CG1 3.15Å; D634-N667 PolarHBondContact O-N 2.97Å; D634-G668 VanDerWaalsContact CB-N 3.3Å; D634-G668 PolarHBondContact O-N 2.8Å
635	T	97.4	Very high	95.4	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	126.8	-179.4	-59.9	0	0	0	0	109.8	I604 G605 P632 R633 L637 V665 F686	I604-T635 CarbonylContact C-O 3.43Å; I604-T635 VanDerWaalsContact CA-O 3.31Å; I604-T635 WeakPolarHBondContact CA-O 3.07Å; G605-T635 PolarHBondContact N-O 3.38Å; G605-T635 PolarHBondContact O-N 3.12Å; P632-T635 VanDerWaalsContact O-CB 3.3Å; P632-T635 WeakPolarHBondContact O-CB 3.39Å; P632-T635 PolarHBondContact O-OG1 3.39Å; R633-T635 VanDerWaalsContact C-N 3.26Å; R633-T635 PolarHBondContact O-N 2.97Å; T635-L637 HydrophobicContact CG2-CD1 4.09Å; T635-L637 HydrophobicContact CG2-CD2 3.76Å; T635-L637 HydrophobicContact CG2-CG 3.82Å; T635-V665 CarbonylContact C-O 3.57Å; T635-V665 WeakPolarHBondContact CA-O 3.26Å; T635-F686 HydrophobicContact CG2-CE1 3.99Å; T635-F686 HydrophobicContact CG2-CZ 3.71Å
636	L	97.8	Very high	95.2	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	117.5	178.7	-178.8	62.3	0	0	0	110.3	F558 L561 I562 L603 I604 W622 L664 V665	F558-L636 HydrophobicContact CD2-CD1 3.86Å; F558-L636 HydrophobicContact CD2-CD2 3.97Å; F558-L636 HydrophobicContact CE2-CD1 4.07Å; F558-L636 HydrophobicContact CE2-CD2 3.93Å; L561-L636 HydrophobicContact CD1-CB 4.18Å; I562-L636 HydrophobicContact CG2-CD2 3.85Å; L603-L636 WeakPolarHBondContact O-CA 3.35Å; I604-L636 HydrophobicContact CB-CD1 4.36Å; W622-L636 HydrophobicContact CH2-CD1 4.44Å; L636-L664 HydrophobicContact CB-CB 4.36Å; L636-L664 HydrophobicContact CD2-CB 4.14Å; L636-L664 HydrophobicContact CD2-CD2 3.93Å; L636-L664 HydrophobicContact CG-CB 4.09Å; L636-L664 HydrophobicContact CG-CD2 4.2Å; L636-L664 WeakPolarHBondContact O-CB 3.27Å; L636-L664 PolarHBondContact O-N 2.92Å; L636-V665 HydrophobicContact CB-CB 4.06Å; L636-V665 HydrophobicContact CB-CG2 4.22Å; L636-V665 PolarHBondContact N-O 3.48Å; L636-V665 PolarHBondContact O-N 3.41Å
637	L	98.1	Very high	95	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	151.3	-171.3	-47.6	177	0	0	0	111.1	F602 L603 L631 T635 V639 I660 V663 L666	F602-L637 WeakPolarHBondContact CA-O 3.47Å; L603-L637 HydrophobicContact CD2-CD1 4.22Å; L603-L637 PolarHBondContact N-O 3.17Å; L603-L637 PolarHBondContact O-N 3.25Å; L631-L637 HydrophobicContact CD1-CD1 4.37Å; T635-L637 HydrophobicContact CG2-CD1 4.09Å; T635-L637 HydrophobicContact CG2-CD2 3.76Å; T635-L637 HydrophobicContact CG2-CG 3.82Å; L637-V639 HydrophobicContact CB-CG1 3.62Å; L637-V639 HydrophobicContact CD1-CG1 4.34Å; L637-I660 HydrophobicContact CD1-CD1 3.95Å; L637-I660 HydrophobicContact CD1-CG1 4.18Å; L637-V663 HydrophobicContact CD2-CB 4.2Å; L637-V663 HydrophobicContact CD2-CG1 3.69Å; L637-L666 HydrophobicContact CD2-CD2 3.68Å
638	S	97.5	Very high	94.7	Very high	4 Å²	4	30.4 Å²	30.4	3%	0.028	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	121.6	161.7	172.3	0	0	0	0	108.1	Q600 L661 D662	Q600-S638 PolarHBondContact NE2-OG 2.78Å; S638-L661 PolarHBondContact O-N 3.05Å; S638-D662 WeakPolarHBondContact CB-O 3.16Å; S638-D662 PolarHBondContact N-O 2.89Å; S638-D662 PolarHBondContact O-N 3.13Å; S638-D662 VanDerWaalsContact O-O 3.13Å
639	V	97.9	Very high	94.2	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	166.1	-169.6	-53	0	0	0	0	112.4	Q600 K601 L603 L637 I641 I658 H659 I660	Q600-V639 CarbonylContact C-O 3.58Å; Q600-V639 WeakPolarHBondContact CA-O 3.33Å; K601-V639 PolarHBondContact N-O 2.99Å; K601-V639 PolarHBondContact O-N 3.06Å; L603-V639 HydrophobicContact CB-CG1 4.05Å; L603-V639 HydrophobicContact CB-CG2 3.66Å; L603-V639 HydrophobicContact CD1-CG1 4.4Å; L603-V639 HydrophobicContact CD1-CG2 4.02Å; L637-V639 HydrophobicContact CB-CG1 3.62Å; L637-V639 HydrophobicContact CD1-CG1 4.34Å; V639-I641 HydrophobicContact CG2-CD1 4.48Å; V639-I658 HydrophobicContact CB-CG2 4.01Å; V639-I658 HydrophobicContact CG1-CG2 3.84Å; V639-I658 HydrophobicContact CG2-CG2 4.44Å; V639-H659 CarbonylContact C-O 3.59Å; V639-H659 VanDerWaalsContact CA-O 3.23Å; V639-H659 WeakPolarHBondContact CA-O 3.12Å; V639-I660 HydrophobicContact CG1-CG1 4.26Å
640	E	96.6	Very high	93.6	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	148.4	158.5	56.1	169	-127.6	0	0	109.3	S596 G597 V642 H659 L661 K704	S596-E640 WeakPolarHBondContact CA-OE2 3.44Å; S596-E640 VanDerWaalsContact CB-OE2 3.31Å; S596-E640 WeakPolarHBondContact CB-OE2 3.33Å; S596-E640 PolarHBondContact OG-OE2 3.39Å; G597-E640 WeakPolarHBondContact CA-OE1 3.47Å; G597-E640 VanDerWaalsContact N-CD 3.35Å; G597-E640 PolarHBondContact N-OE1 2.87Å; G597-E640 PolarHBondContact N-OE2 2.84Å; E640-V642 HydrophobicContact CB-CG2 4.48Å; E640-V642 HydrophobicContact CG-CG2 3.73Å; E640-V642 WeakPolarHBondContact OE1-CG2 3.48Å; E640-H659 HydrophobicContact CG-CB 3.95Å; E640-H659 PolarHBondContact N-O 3.45Å; E640-H659 PolarHBondContact O-N 3.08Å; E640-L661 HydrophobicContact CB-CD1 4.04Å; E640-L661 HydrophobicContact CG-CD1 3.99Å; E640-L661 HydrophobicContact CG-CG 4.27Å; E640-K704 WeakPolarHBondContact OE1-CE 3.47Å; E640-K704 IonicContact OE1-NZ 2.68Å; E640-K704 PolarHBondContact OE1-NZ 2.88Å
641	I	96.8	Very high	93.1	Very high	29 Å²	29	36.5 Å²	36.5	15%	0.149	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	107.6	177.3	-53.6	-58.9	0	0	0	108.2	S598 L625 V639 I658	S598-I641 WeakPolarHBondContact CB-O 3.24Å; S598-I641 PolarHBondContact OG-O 3.35Å; S598-I641 VanDerWaalsContact OG-O 3.12Å; L625-I641 HydrophobicContact CD1-CD1 4.09Å; L625-I641 HydrophobicContact CD1-CG1 4.32Å; L625-I641 HydrophobicContact CD2-CD1 4.07Å; V639-I641 HydrophobicContact CG2-CD1 4.48Å; I641-I658 HydrophobicContact CD1-CG1 3.92Å
642	V	95.4	Very high	92.8	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.006	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	144.7	-168.8	-173.9	0	0	0	0	110.5	E640 S656 A657 H659 F743	E640-V642 HydrophobicContact CB-CG2 4.48Å; E640-V642 HydrophobicContact CG-CG2 3.73Å; E640-V642 WeakPolarHBondContact OE1-CG2 3.48Å; V642-S656 CarbonylContact O-C 3.57Å; V642-S656 WeakPolarHBondContact O-CA 3.44Å; V642-A657 PolarHBondContact N-O 3.49Å; V642-A657 PolarHBondContact O-N 3.11Å; V642-H659 HydrophobicContact CG2-CB 3.82Å; V642-F743 HydrophobicContact CG1-CB 3.51Å; V642-F743 HydrophobicContact CG1-CD1 4.05Å; V642-F743 HydrophobicContact CG1-CD2 4.03Å; V642-F743 HydrophobicContact CG1-CG 3.6Å
643	H	94.4	Very high	92.6	Very high	89 Å²	89	46.5 Å²	46.5	41%	0.412	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	98	168.3	-68.5	-39.1	0	0	0	110.2	K654 S656	H643-K654 HydrophobicContact CB-CG 4.43Å; H643-K654 WeakPolarHBondContact CD2-CE 3.3Å; H643-K654 PolarHBondContact CD2-NZ 3.45Å; H643-K654 VanDerWaalsContact CE1-CE 3.49Å; H643-K654 WeakPolarHBondContact CE1-CE 3.35Å; H643-K654 PolarHBondContact CE1-NZ 3.46Å; H643-K654 VanDerWaalsContact ND1-CE 3.26Å; H643-K654 WeakPolarHBondContact ND1-CE 3.3Å; H643-K654 WeakPolarHBondContact NE2-CE 3.35Å; H643-K654 PolarHBondContact NE2-NZ 3.32Å; H643-S656 PolarHBondContact CE1-OG 3.23Å; H643-S656 PolarHBondContact ND1-OG 2.65Å; H643-S656 VanDerWaalsContact ND1-OG 3.16Å
644	E	93.6	Very high	92.5	Very high	5 Å²	5	49.9 Å²	49.9	2%	0.023	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	136.8	170.6	-66.7	179.3	178.9	0	0	110	K654 I655 A657 H659 R702 R741	E644-K654 WeakPolarHBondContact O-CA 3.41Å; E644-I655 HydrophobicContact CB-CG2 3.82Å; E644-I655 PolarHBondContact N-O 3.01Å; E644-I655 PolarHBondContact O-N 3.09Å; E644-A657 HydrophobicContact CG-CB 3.92Å; E644-A657 WeakPolarHBondContact OE1-CB 3.48Å; E644-H659 WeakPolarHBondContact CG-NE2 3.34Å; E644-H659 IonicContact OE1-CE1 3.1Å; E644-H659 IonicContact OE1-NE2 3.84Å; E644-H659 PolarHBondContact OE1-NE2 2.99Å; E644-R702 IonicContact OE1-NE 3.86Å; E644-R702 PolarHBondContact OE1-NE 3.41Å; E644-R702 IonicContact OE2-NH2 2.69Å; E644-R741 HydrophobicContact CB-CB 4.47Å; E644-R741 WeakPolarHBondContact OE2-CD 3.43Å; E644-R741 IonicContact OE2-CZ 3.59Å; E644-R741 IonicContact OE2-NE 2.66Å; E644-R741 IonicContact OE2-NH1 3.44Å; E644-R741 PolarHBondContact OE2-NH1 3.04Å
645	L	93.9	Very high	92.4	Very high	11 Å²	11	50.4 Å²	50.4	6%	0.058	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	138.2	-178.7	-58.1	177.4	0	0	0	109.6	Q652 R653 K654 I724 R741 H742	L645-Q652 HydrophobicContact CB-CG 4.28Å; L645-Q652 HydrophobicContact CD2-CG 4.34Å; L645-R653 CarbonylContact C-O 3.54Å; L645-R653 WeakPolarHBondContact CA-O 3.13Å; L645-K654 HydrophobicContact CD2-CB 3.87Å; L645-K654 HydrophobicContact CD2-CG 3.91Å; L645-I724 HydrophobicContact CD1-CD1 3.87Å; L645-I724 HydrophobicContact CD1-CG1 4.14Å; L645-I724 HydrophobicContact CD1-CG2 4.09Å; L645-R741 CarbonylContact O-C 3.59Å; L645-R741 VanDerWaalsContact O-CA 3.27Å; L645-R741 WeakPolarHBondContact O-CA 3.31Å; L645-H742 WeakPolarHBondContact CB-O 3.28Å; L645-H742 PolarHBondContact N-O 3.35Å; L645-H742 PolarHBondContact O-N 3.24Å; L645-H742 PolarHBondContact O-ND1 3.07Å; L645-H742 VanDerWaalsContact O-ND1 3.15Å
646	K	91.8	Very high	92.3	Very high	89 Å²	89	51.8 Å²	51.8	39%	0.387	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	128.1	175.6	180	165.3	176	146	0	110.2	Q652 R653 D740	K646-Q652 WeakPolarHBondContact O-CA 3.38Å; K646-R653 PolarHBondContact N-O 3.29Å; K646-R653 PolarHBondContact O-N 2.89Å; K646-D740 WeakPolarHBondContact CD-OD1 3.34Å; K646-D740 VanDerWaalsContact CE-CG 3.48Å; K646-D740 WeakPolarHBondContact CE-OD1 3.45Å; K646-D740 WeakPolarHBondContact CE-OD2 3.47Å; K646-D740 IonicContact NZ-OD1 2.58Å; K646-D740 PolarHBondContact NZ-OD1 2.97Å; K646-D740 IonicContact NZ-OD2 3.92Å; K646-D740 PolarHBondContact NZ-OD2 3.21Å
647	G	89.1	Confident	92.2	Very high	42 Å²	42	51.8 Å²	51.8	43%	0.433	26%	0.264	S	S	.	.	S	Bend	trans	70.2	-176.7	-168.6	0	0	0	0	0	113.3	Q652 H742	G647-Q652 WeakPolarHBondContact O-CG 3.22Å; G647-Q652 PolarHBondContact O-NE2 2.88Å; G647-H742 PolarHBondContact O-CE1 3.39Å
648	E	87.1	Confident	92.1	Very high	86 Å²	86	51.8 Å²	51.8	40%	0.402	26%	0.264	S	S	.	.			trans	-130.8	164	-173.7	-67.8	-169.1	-140.5	0	0	113	Q652 K722 I723	E648-Q652 PolarHBondContact O-N 3.07Å; E648-K722 HydrophobicContact CG-CB 4.21Å; E648-K722 HydrophobicContact CG-CD 4.43Å; E648-K722 WeakPolarHBondContact OE1-CD 3.39Å; E648-K722 VanDerWaalsContact OE1-CG 3.32Å; E648-K722 WeakPolarHBondContact OE1-CG 3.25Å; E648-K722 WeakPolarHBondContact OE2-CA 3.48Å; E648-I723 PolarHBondContact OE2-N 2.71Å
649	G	82.9	Confident	92.1	Very high	22 Å²	22	52.6 Å²	52.6	23%	0.227	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	60.5	-136.6	175.1	0	0	0	0	0	114	A651 Q652 I723	G649-A651 VanDerWaalsContact C-N 3.35Å; G649-A651 PolarHBondContact O-N 3.44Å; G649-Q652 WeakPolarHBondContact O-CB 3.18Å; G649-Q652 PolarHBondContact O-N 2.99Å; G649-I723 PolarHBondContact N-O 3.22Å
650	K	81.6	Confident	92.1	Very high	203 Å²	203	52.6 Å²	52.6	88%	0.883	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-67.7	-31.7	-173.6	-69	-176.6	178.9	178.3	0	113.6
651	A	84	Confident	92.1	Very high	86 Å²	86	52.7 Å²	52.7	71%	0.711	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-85.9	-4.9	-177.9	0	0	0	0	0	113.8	G649 R653	G649-A651 VanDerWaalsContact C-N 3.35Å; G649-A651 PolarHBondContact O-N 3.44Å; A651-R653 PolarHBondContact O-N 3.27Å
652	Q	90.1	Very high	92.2	Very high	12 Å²	12	51.8 Å²	51.8	6%	0.056	26%	0.264	C	S	.	.			trans	-56.6	127	179.3	-178.6	169.4	78.5	0	0	111.9	L645 K646 G647 E648 G649 K725 H742	L645-Q652 HydrophobicContact CB-CG 4.28Å; L645-Q652 HydrophobicContact CD2-CG 4.34Å; K646-Q652 WeakPolarHBondContact O-CA 3.38Å; G647-Q652 WeakPolarHBondContact O-CG 3.22Å; G647-Q652 PolarHBondContact O-NE2 2.88Å; E648-Q652 PolarHBondContact O-N 3.07Å; G649-Q652 WeakPolarHBondContact O-CB 3.18Å; G649-Q652 PolarHBondContact O-N 2.99Å; Q652-K725 HydrophobicContact CB-CB 4.4Å; Q652-H742 PolarHBondContact NE2-NE2 3.07Å
653	R	90.1	Very high	92.2	Very high	198 Å²	198	51.7 Å²	51.7	75%	0.747	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94	141.8	172	-60.6	-175.8	-176.5	-173.9	1.3	109.2	L645 K646 A651	L645-R653 CarbonylContact C-O 3.54Å; L645-R653 WeakPolarHBondContact CA-O 3.13Å; K646-R653 PolarHBondContact N-O 3.29Å; K646-R653 PolarHBondContact O-N 2.89Å; A651-R653 PolarHBondContact O-N 3.27Å
654	K	91.9	Very high	92.3	Very high	130 Å²	130	47.5 Å²	47.5	57%	0.565	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-122.2	134	178.7	177.4	-177.8	176.4	-177.1	0	109	H643 E644 L645	H643-K654 HydrophobicContact CB-CG 4.43Å; H643-K654 WeakPolarHBondContact CD2-CE 3.3Å; H643-K654 PolarHBondContact CD2-NZ 3.45Å; H643-K654 VanDerWaalsContact CE1-CE 3.49Å; H643-K654 WeakPolarHBondContact CE1-CE 3.35Å; H643-K654 PolarHBondContact CE1-NZ 3.46Å; H643-K654 VanDerWaalsContact ND1-CE 3.26Å; H643-K654 WeakPolarHBondContact ND1-CE 3.3Å; H643-K654 WeakPolarHBondContact NE2-CE 3.35Å; H643-K654 PolarHBondContact NE2-NZ 3.32Å; E644-K654 WeakPolarHBondContact O-CA 3.41Å; L645-K654 HydrophobicContact CD2-CB 3.87Å; L645-K654 HydrophobicContact CD2-CG 3.91Å
655	I	92.5	Very high	92.5	Very high	51 Å²	51	47.4 Å²	47.4	26%	0.262	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	137.2	174.6	-174.5	171.3	0	0	0	109.6	E644 P700	E644-I655 HydrophobicContact CB-CG2 3.82Å; E644-I655 PolarHBondContact N-O 3.01Å; E644-I655 PolarHBondContact O-N 3.09Å; I655-P700 HydrophobicContact CD1-CG 4.44Å
656	S	95.1	Very high	92.6	Very high	29 Å²	29	46.9 Å²	46.9	20%	0.203	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	136.4	173.3	-62.5	0	0	0	0	110.2	L627 V642 H643 N699	L627-S656 VanDerWaalsContact CD2-CB 3.49Å; V642-S656 CarbonylContact O-C 3.57Å; V642-S656 WeakPolarHBondContact O-CA 3.44Å; H643-S656 PolarHBondContact CE1-OG 3.23Å; H643-S656 PolarHBondContact ND1-OG 2.65Å; H643-S656 VanDerWaalsContact ND1-OG 3.16Å; S656-N699 PolarHBondContact O-ND2 3.36Å
657	A	95.2	Very high	92.7	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	146.5	-177.2	0	0	0	0	0	110.5	V642 E644 H659 P700	V642-A657 PolarHBondContact N-O 3.49Å; V642-A657 PolarHBondContact O-N 3.11Å; E644-A657 HydrophobicContact CG-CB 3.92Å; E644-A657 WeakPolarHBondContact OE1-CB 3.48Å; A657-H659 WeakPolarHBondContact CB-NE2 3.3Å; A657-P700 WeakPolarHBondContact CA-O 3.41Å; A657-P700 HydrophobicContact CB-CG 3.81Å
658	I	97.3	Very high	93	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	119.7	169.1	-60.1	171.4	0	0	0	107.2	L603 L625 L627 T629 V639 I641 P700 I701 R702	L603-I658 HydrophobicContact CD1-CD1 3.87Å; L603-I658 HydrophobicContact CD1-CG1 4.42Å; L603-I658 HydrophobicContact CD1-CG2 4.06Å; L625-I658 HydrophobicContact CD2-CD1 3.76Å; L625-I658 HydrophobicContact CD2-CG1 4.14Å; L627-I658 HydrophobicContact CD1-CD1 4.35Å; L627-I658 HydrophobicContact CD1-CG1 3.86Å; T629-I658 HydrophobicContact CG2-CD1 3.74Å; V639-I658 HydrophobicContact CB-CG2 4.01Å; V639-I658 HydrophobicContact CG1-CG2 3.84Å; V639-I658 HydrophobicContact CG2-CG2 4.44Å; I641-I658 HydrophobicContact CD1-CG1 3.92Å; I658-P700 PolarHBondContact N-O 3.15Å; I658-I701 HydrophobicContact CB-CG1 4.4Å; I658-I701 HydrophobicContact CB-CG2 4.27Å; I658-I701 HydrophobicContact CD1-CD1 4.45Å; I658-I701 HydrophobicContact CD1-CG1 4.29Å; I658-I701 HydrophobicContact CG2-CG2 4.27Å; I658-I701 CarbonylContact O-C 3.57Å; I658-I701 WeakPolarHBondContact O-CA 3.48Å; I658-R702 PolarHBondContact O-N 2.88Å
659	H	97.1	Very high	93.3	Very high	21 Å²	21	41.4 Å²	41.4	10%	0.097	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	113.5	175.2	-77	-138.2	0	0	0	109.2	V639 E640 V642 E644 A657 R702 K704 F743	V639-H659 CarbonylContact C-O 3.59Å; V639-H659 VanDerWaalsContact CA-O 3.23Å; V639-H659 WeakPolarHBondContact CA-O 3.12Å; E640-H659 HydrophobicContact CG-CB 3.95Å; E640-H659 PolarHBondContact N-O 3.45Å; E640-H659 PolarHBondContact O-N 3.08Å; V642-H659 HydrophobicContact CG2-CB 3.82Å; E644-H659 WeakPolarHBondContact CG-NE2 3.34Å; E644-H659 IonicContact OE1-CE1 3.1Å; E644-H659 IonicContact OE1-NE2 3.84Å; E644-H659 PolarHBondContact OE1-NE2 2.99Å; A657-H659 WeakPolarHBondContact CB-NE2 3.3Å; H659-R702 CarbonylContact C-O 3.48Å; H659-R702 WeakPolarHBondContact CA-O 3.16Å; H659-K704 HydrophobicContact CB-CD 4.24Å; H659-K704 HydrophobicContact CB-CG 4.14Å; H659-K704 WeakPolarHBondContact ND1-CE 3.19Å; H659-F743 AromaticContact CE1-CD1 3.77Å; H659-F743 AromaticContact CE1-CE1 3.72Å
660	I	98	Very high	93.9	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	126.6	178.8	-56.8	175.1	0	0	0	109.5	L637 V639 D662 V663 A683 V687 I701 R702 V703 K704	L637-I660 HydrophobicContact CD1-CD1 3.95Å; L637-I660 HydrophobicContact CD1-CG1 4.18Å; V639-I660 HydrophobicContact CG1-CG1 4.26Å; I660-D662 WeakPolarHBondContact CG2-O 3.37Å; I660-V663 HydrophobicContact CG2-CG1 3.58Å; I660-A683 HydrophobicContact CG2-CB 4.27Å; I660-V687 HydrophobicContact CD1-CG2 3.62Å; I660-I701 HydrophobicContact CD1-CG2 3.9Å; I660-I701 HydrophobicContact CG1-CG2 4.16Å; I660-R702 PolarHBondContact N-O 2.83Å; I660-V703 HydrophobicContact CD1-CG2 4.46Å; I660-K704 WeakPolarHBondContact O-CB 3.44Å; I660-K704 WeakPolarHBondContact O-CG 3.29Å; I660-K704 PolarHBondContact O-N 2.97Å
661	L	97.1	Very high	94.5	Very high	3 Å²	3	34.1 Å²	34.1	2%	0.016	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	-35.1	176.7	-70	160.8	0	0	0	111.8	M594 Q600 S638 E640 K704 Y749	M594-L661 HydrophobicContact CE-CB 4.15Å; M594-L661 HydrophobicContact CE-CD2 3.81Å; M594-L661 HydrophobicContact CG-CD2 4.21Å; M594-L661 HydrophobicContact SD-CB 4.35Å; M594-L661 HydrophobicContact SD-CD2 3.58Å; M594-L661 VanDerWaalsContact SD-CD2 3.58Å; Q600-L661 HydrophobicContact CB-CD1 4.05Å; Q600-L661 HydrophobicContact CG-CD1 3.7Å; S638-L661 PolarHBondContact O-N 3.05Å; E640-L661 HydrophobicContact CB-CD1 4.04Å; E640-L661 HydrophobicContact CG-CD1 3.99Å; E640-L661 HydrophobicContact CG-CG 4.27Å; L661-K704 HydrophobicContact CD2-CB 4.45Å; L661-K704 HydrophobicContact CD2-CG 3.81Å; L661-K704 HydrophobicContact CG-CG 4.38Å; L661-Y749 HydrophobicContact CD1-CE2 4.37Å; L661-Y749 HydrophobicContact CD2-CD2 4.16Å; L661-Y749 HydrophobicContact CD2-CE2 4.38Å
662	D	97.2	Very high	95	Very high	9 Å²	9	31 Å²	31	5%	0.048	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	166.4	173.3	-153.6	-21.4	0	0	0	109.4	S638 I660 F676 R679 F791	S638-D662 WeakPolarHBondContact CB-O 3.16Å; S638-D662 PolarHBondContact N-O 2.89Å; S638-D662 PolarHBondContact O-N 3.13Å; S638-D662 VanDerWaalsContact O-O 3.13Å; I660-D662 WeakPolarHBondContact CG2-O 3.37Å; D662-F676 HydrophobicContact CB-CE2 4.5Å; D662-R679 IonicContact OD1-CZ 3.14Å; D662-R679 IonicContact OD1-NE 3.09Å; D662-R679 PolarHBondContact OD1-NE 3.48Å; D662-R679 IonicContact OD1-NH2 3.07Å; D662-R679 IonicContact OD2-CZ 3.65Å; D662-R679 IonicContact OD2-NE 3.8Å; D662-R679 PolarHBondContact OD2-NE 3.14Å; D662-R679 IonicContact OD2-NH2 2.74Å; D662-R679 PolarHBondContact OD2-NH2 2.83Å; D662-F791 HydrophobicContact CB-CD2 4.28Å; D662-F791 HydrophobicContact CB-CE2 4.13Å
663	V	96.4	Very high	95.2	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	142	-178.4	-62.2	0	0	0	0	111.9	L637 I660 L666 V671 R679 A683	L637-V663 HydrophobicContact CD2-CB 4.2Å; L637-V663 HydrophobicContact CD2-CG1 3.69Å; I660-V663 HydrophobicContact CG2-CG1 3.58Å; V663-L666 HydrophobicContact CB-CD2 4.18Å; V663-L666 HydrophobicContact CB-CG 4.45Å; V663-L666 HydrophobicContact CG1-CD2 4.2Å; V663-L666 HydrophobicContact CG2-CD1 4.3Å; V663-V671 HydrophobicContact CB-CG2 4.39Å; V663-V671 HydrophobicContact CG2-CG2 3.78Å; V663-R679 HydrophobicContact CG2-CB 3.76Å; V663-R679 WeakPolarHBondContact CG2-O 3.31Å; V663-A683 HydrophobicContact CG1-CB 3.49Å; V663-A683 VanDerWaalsContact CG1-CB 3.49Å; V663-A683 HydrophobicContact CG2-CB 4.28Å
664	L	96.6	Very high	95.4	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	-53.2	-177.1	-65.8	77.6	0	0	0	110.4	F570 F602 L636 V671 R672 F791	F570-L664 HydrophobicContact CE1-CD2 3.57Å; F570-L664 HydrophobicContact CZ-CD2 4.13Å; F602-L664 HydrophobicContact CE1-CD1 4.47Å; F602-L664 HydrophobicContact CE1-CD2 4.47Å; L636-L664 HydrophobicContact CB-CB 4.36Å; L636-L664 HydrophobicContact CD2-CB 4.14Å; L636-L664 HydrophobicContact CD2-CD2 3.93Å; L636-L664 HydrophobicContact CG-CB 4.09Å; L636-L664 HydrophobicContact CG-CD2 4.2Å; L636-L664 WeakPolarHBondContact O-CB 3.27Å; L636-L664 PolarHBondContact O-N 2.92Å; L664-V671 WeakPolarHBondContact O-CG2 3.47Å; L664-V671 PolarHBondContact O-N 3.12Å; L664-R672 HydrophobicContact CB-CG 3.8Å; L664-R672 HydrophobicContact CG-CG 4.11Å; L664-F791 HydrophobicContact CD1-CD2 4.01Å; L664-F791 HydrophobicContact CD1-CE1 4.39Å; L664-F791 HydrophobicContact CD1-CE2 3.67Å; L664-F791 HydrophobicContact CD1-CZ 3.9Å; L664-F791 HydrophobicContact CD2-CD1 3.89Å; L664-F791 HydrophobicContact CD2-CE1 3.67Å; L664-F791 HydrophobicContact CD2-CE2 4.41Å; L664-F791 HydrophobicContact CD2-CG 4.38Å; L664-F791 HydrophobicContact CD2-CZ 3.96Å; L664-F791 HydrophobicContact CG-CD1 4.03Å; L664-F791 HydrophobicContact CG-CD2 3.99Å; L664-F791 HydrophobicContact CG-CE1 4.08Å; L664-F791 HydrophobicContact CG-CE2 4.03Å; L664-F791 HydrophobicContact CG-CG 4.01Å; L664-F791 HydrophobicContact CG-CZ 4.1Å
665	V	97.3	Very high	95.5	Very high	4 Å²	4	25.3 Å²	25.3	2%	0.024	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	131.9	178.8	-168.7	0	0	0	0	109.7	L561 D634 T635 L636 T669	L561-V665 HydrophobicContact CB-CG2 4.36Å; L561-V665 HydrophobicContact CD2-CG1 4.35Å; D634-V665 WeakPolarHBondContact O-CG1 3.15Å; T635-V665 CarbonylContact C-O 3.57Å; T635-V665 WeakPolarHBondContact CA-O 3.26Å; L636-V665 HydrophobicContact CB-CB 4.06Å; L636-V665 HydrophobicContact CB-CG2 4.22Å; L636-V665 PolarHBondContact N-O 3.48Å; L636-V665 PolarHBondContact O-N 3.41Å; V665-T669 CarbonylContact C-O 3.55Å; V665-T669 VanDerWaalsContact CA-O 3.32Å; V665-T669 WeakPolarHBondContact CA-O 3.43Å; V665-T669 WeakPolarHBondContact CG1-O 3.42Å
666	L	96.1	Very high	95.7	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	106.4	178.8	-62.4	177.1	0	0	0	109.3	W293 L637 V663 G668 T669 V671 L682 F686	W293-L666 HydrophobicContact CD2-CB 4.18Å; W293-L666 HydrophobicContact CE3-CD1 4.42Å; W293-L666 HydrophobicContact CH2-CB 4.31Å; W293-L666 HydrophobicContact CH2-CD1 3.48Å; W293-L666 VanDerWaalsContact CH2-CD1 3.48Å; W293-L666 HydrophobicContact CZ2-CB 3.89Å; W293-L666 HydrophobicContact CZ2-CD1 3.88Å; W293-L666 HydrophobicContact CZ3-CD1 3.8Å; W293-L666 PolarHBondContact NE1-O 3.42Å; L637-L666 HydrophobicContact CD2-CD2 3.68Å; V663-L666 HydrophobicContact CB-CD2 4.18Å; V663-L666 HydrophobicContact CB-CG 4.45Å; V663-L666 HydrophobicContact CG1-CD2 4.2Å; V663-L666 HydrophobicContact CG2-CD1 4.3Å; L666-G668 VanDerWaalsContact C-N 3.3Å; L666-G668 PolarHBondContact O-N 2.62Å; L666-T669 PolarHBondContact N-O 3.31Å; L666-T669 WeakPolarHBondContact O-CB 3.37Å; L666-T669 PolarHBondContact O-N 3.14Å; L666-T669 PolarHBondContact O-OG1 2.85Å; L666-V671 HydrophobicContact CD1-CG2 4.48Å; L666-V671 HydrophobicContact CG-CG2 4.46Å; L666-L682 HydrophobicContact CD1-CB 4.08Å; L666-F686 HydrophobicContact CB-CD2 4.14Å; L666-F686 HydrophobicContact CB-CE2 4.39Å; L666-F686 HydrophobicContact CD1-CB 4.16Å; L666-F686 HydrophobicContact CD1-CG 4.49Å; L666-F686 HydrophobicContact CD2-CB 4.23Å; L666-F686 HydrophobicContact CD2-CD1 3.92Å; L666-F686 HydrophobicContact CD2-CD2 3.97Å; L666-F686 HydrophobicContact CD2-CE1 4.21Å; L666-F686 HydrophobicContact CD2-CE2 4.27Å; L666-F686 HydrophobicContact CD2-CG 3.79Å; L666-F686 HydrophobicContact CD2-CZ 4.37Å; L666-F686 HydrophobicContact CG-CD2 4.47Å
667	N	94.8	Very high	95.6	Very high	16 Å²	16	24.2 Å²	24.2	9%	0.086	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	44.8	52.4	-178.6	-170.8	-133.6	0	0	0	113.6	W293 P632 R633 D634 T669 F686	W293-N667 HydrophobicContact CB-CB 4.14Å; W293-N667 HydrophobicContact CG-CB 4.23Å; P632-N667 HydrophobicContact CB-CB 4.01Å; R633-N667 WeakPolarHBondContact O-CA 3.34Å; R633-N667 PolarHBondContact O-ND2 3.32Å; D634-N667 PolarHBondContact O-N 2.97Å; N667-T669 VanDerWaalsContact C-N 3.31Å; N667-T669 PolarHBondContact O-N 2.92Å; N667-F686 HydrophobicContact CB-CE2 4.48Å
668	G	93.8	Very high	95.5	Very high	40 Å²	40	26.8 Å²	26.8	41%	0.412	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.5	3.4	-179.8	0	0	0	0	0	115	D634 L666	D634-G668 VanDerWaalsContact CB-N 3.3Å; D634-G668 PolarHBondContact O-N 2.8Å; L666-G668 VanDerWaalsContact C-N 3.3Å; L666-G668 PolarHBondContact O-N 2.62Å
669	T	94.1	Very high	95.4	Very high	46 Å²	46	26.8 Å²	26.8	28%	0.282	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	109.2	177.1	-42.1	0	0	0	0	109.5	W293 V665 L666 N667 V671	W293-T669 PolarHBondContact NE1-OG1 3.19Å; V665-T669 CarbonylContact C-O 3.55Å; V665-T669 VanDerWaalsContact CA-O 3.32Å; V665-T669 WeakPolarHBondContact CA-O 3.43Å; V665-T669 WeakPolarHBondContact CG1-O 3.42Å; L666-T669 PolarHBondContact N-O 3.31Å; L666-T669 WeakPolarHBondContact O-CB 3.37Å; L666-T669 PolarHBondContact O-N 3.14Å; L666-T669 PolarHBondContact O-OG1 2.85Å; N667-T669 VanDerWaalsContact C-N 3.31Å; N667-T669 PolarHBondContact O-N 2.92Å; T669-V671 HydrophobicContact CG2-CG1 4.38Å
670	D	95.2	Very high	95.4	Very high	64 Å²	64	26.3 Å²	26.3	34%	0.342	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	128.1	173.3	-166.6	-20.4	0	0	0	110.3	R672	D670-R672 VanDerWaalsContact OD1-CB 3.29Å; D670-R672 WeakPolarHBondContact OD1-CB 3.11Å; D670-R672 VanDerWaalsContact OD1-CG 3.23Å; D670-R672 WeakPolarHBondContact OD1-CG 3.4Å; D670-R672 PolarHBondContact OD1-N 2.99Å; D670-R672 IonicContact OD1-NE 3.04Å; D670-R672 PolarHBondContact OD1-NE 3.41Å; D670-R672 VanDerWaalsContact OD1-NE 3.1Å; D670-R672 IonicContact OD2-CZ 3.69Å; D670-R672 IonicContact OD2-NE 3.99Å; D670-R672 PolarHBondContact OD2-NE 3.22Å; D670-R672 IonicContact OD2-NH2 2.67Å; D670-R672 PolarHBondContact OD2-NH2 2.79Å
671	V	95.1	Very high	95.2	Very high	7 Å²	7	30.4 Å²	30.4	4%	0.042	16%	0.161	C	C	.	.			trans	-124.7	7.6	-179	-62.6	0	0	0	0	112.5	V663 L664 L666 T669 E673 Q674 R679 L682	V663-V671 HydrophobicContact CB-CG2 4.39Å; V663-V671 HydrophobicContact CG2-CG2 3.78Å; L664-V671 WeakPolarHBondContact O-CG2 3.47Å; L664-V671 PolarHBondContact O-N 3.12Å; L666-V671 HydrophobicContact CD1-CG2 4.48Å; L666-V671 HydrophobicContact CG-CG2 4.46Å; T669-V671 HydrophobicContact CG2-CG1 4.38Å; V671-E673 VanDerWaalsContact C-N 3.27Å; V671-E673 PolarHBondContact O-N 3.28Å; V671-Q674 HydrophobicContact CB-CG 4.23Å; V671-Q674 WeakPolarHBondContact O-CB 3.41Å; V671-Q674 WeakPolarHBondContact O-CG 3.38Å; V671-Q674 PolarHBondContact O-N 2.92Å; V671-R679 WeakPolarHBondContact O-CD 3.34Å; V671-R679 WeakPolarHBondContact O-CG 3.31Å; V671-L682 HydrophobicContact CB-CD1 4.34Å; V671-L682 HydrophobicContact CG1-CD1 3.95Å
672	R	95	Very high	95.2	Very high	20 Å²	20	30.9 Å²	30.9	8%	0.075	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-36.5	-174.9	-70.6	179.2	-70.3	170.1	-0.7	113.7	I562 T565 L664 D670 Q674 R679 P790 F791	I562-R672 PolarHBondContact O-NH1 3.46Å; I562-R672 PolarHBondContact O-NH2 2.74Å; I562-R672 VanDerWaalsContact O-NH2 3.17Å; T565-R672 PolarHBondContact OG1-NH1 2.75Å; L664-R672 HydrophobicContact CB-CG 3.8Å; L664-R672 HydrophobicContact CG-CG 4.11Å; D670-R672 VanDerWaalsContact OD1-CB 3.29Å; D670-R672 WeakPolarHBondContact OD1-CB 3.11Å; D670-R672 VanDerWaalsContact OD1-CG 3.23Å; D670-R672 WeakPolarHBondContact OD1-CG 3.4Å; D670-R672 PolarHBondContact OD1-N 2.99Å; D670-R672 IonicContact OD1-NE 3.04Å; D670-R672 PolarHBondContact OD1-NE 3.41Å; D670-R672 VanDerWaalsContact OD1-NE 3.1Å; D670-R672 IonicContact OD2-CZ 3.69Å; D670-R672 IonicContact OD2-NE 3.99Å; D670-R672 PolarHBondContact OD2-NE 3.22Å; D670-R672 IonicContact OD2-NH2 2.67Å; D670-R672 PolarHBondContact OD2-NH2 2.79Å; R672-Q674 VanDerWaalsContact C-N 3.32Å; R672-Q674 PolarHBondContact O-N 3.31Å; R672-R679 PolarHBondContact O-NH1 2.76Å; R672-P790 CarbonylContact O-C 3.5Å; R672-P790 WeakPolarHBondContact O-CA 3.48Å; R672-F791 HydrophobicContact CB-CB 3.92Å; R672-F791 HydrophobicContact CG-CB 4.04Å; R672-F791 HydrophobicContact CG-CG 4.49Å; R672-F791 PolarHBondContact O-N 3.06Å
673	E	93.9	Very high	95.1	Very high	113 Å²	113	30.5 Å²	30.5	53%	0.528	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-5.1	-179.2	-56.8	-50.8	112.3	0	0	113.9	V671 P790	V671-E673 VanDerWaalsContact C-N 3.27Å; V671-E673 PolarHBondContact O-N 3.28Å; E673-P790 WeakPolarHBondContact OE1-CB 3.39Å; E673-P790 VanDerWaalsContact OE2-CB 3.3Å; E673-P790 WeakPolarHBondContact OE2-CB 3.46Å
674	Q	94.1	Very high	95.1	Very high	90 Å²	90	34.6 Å²	34.6	42%	0.421	18%	0.18	S	C	.	.	S	Bend	trans	-74.1	149.9	173.2	-58	-58.9	-42.9	0	0	110.6	V671 R672 Q678 R679	V671-Q674 HydrophobicContact CB-CG 4.23Å; V671-Q674 WeakPolarHBondContact O-CB 3.41Å; V671-Q674 WeakPolarHBondContact O-CG 3.38Å; V671-Q674 PolarHBondContact O-N 2.92Å; R672-Q674 VanDerWaalsContact C-N 3.32Å; R672-Q674 PolarHBondContact O-N 3.31Å; Q674-Q678 HydrophobicContact CB-CB 4.34Å; Q674-Q678 HydrophobicContact CB-CG 4.19Å; Q674-R679 HydrophobicContact CB-CG 3.89Å; Q674-R679 WeakPolarHBondContact O-CG 3.32Å; Q674-R679 PolarHBondContact O-NH1 3.09Å
675	H	94.2	Very high	95	Very high	19 Å²	19	34.8 Å²	34.8	9%	0.088	18%	0.181	C	C	.	.			trans	-56.9	141.7	175.3	179.7	-79.1	0	0	0	112	N677 Q678 R679 T753 I788	H675-N677 PolarHBondContact ND1-N 2.89Å; H675-N677 VanDerWaalsContact ND1-N 3.16Å; H675-N677 PolarHBondContact O-N 3.42Å; H675-Q678 WeakPolarHBondContact O-CA 3.49Å; H675-Q678 VanDerWaalsContact O-CB 3.24Å; H675-Q678 WeakPolarHBondContact O-CB 3.3Å; H675-Q678 PolarHBondContact O-N 2.83Å; H675-R679 PolarHBondContact O-N 3.32Å; H675-T753 PolarHBondContact NE2-O 3.32Å; H675-I788 HydrophobicContact CB-CD1 4.48Å; H675-I788 HydrophobicContact CB-CG1 4.25Å; H675-I788 HydrophobicContact CB-CG2 3.95Å
676	F	95.6	Very high	95	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.009	18%	0.18	C	C	.	.	H	α-helix	trans	-45.1	-53	-176.3	179.2	-103	0	0	0	113.8	R592 D662 Q678 R679 I680 V706 V751 T753	R592-F676 HydrophobicContact CB-CD1 4.34Å; R592-F676 HydrophobicContact CB-CE1 3.95Å; R592-F676 HydrophobicContact CG-CD1 4.07Å; R592-F676 HydrophobicContact CG-CE1 4.15Å; D662-F676 HydrophobicContact CB-CE2 4.5Å; F676-Q678 PolarHBondContact O-N 3.15Å; F676-R679 WeakPolarHBondContact O-CB 3.48Å; F676-R679 PolarHBondContact O-N 2.96Å; F676-I680 HydrophobicContact CD1-CG1 4.34Å; F676-I680 HydrophobicContact CE1-CG1 4.04Å; F676-I680 HydrophobicContact CE2-CD1 4.22Å; F676-I680 HydrophobicContact CE2-CG1 4.29Å; F676-I680 HydrophobicContact CZ-CD1 4Å; F676-I680 HydrophobicContact CZ-CG1 4Å; F676-I680 WeakPolarHBondContact O-CG1 3.4Å; F676-I680 PolarHBondContact O-N 3.28Å; F676-V706 HydrophobicContact CE1-CG1 3.75Å; F676-V706 HydrophobicContact CE1-CG2 4.09Å; F676-V706 HydrophobicContact CZ-CG2 4.22Å; F676-V751 HydrophobicContact CD2-CG1 4.28Å; F676-V751 HydrophobicContact CE2-CG1 4.23Å; F676-T753 HydrophobicContact CB-CG2 3.56Å; F676-T753 HydrophobicContact CD1-CG2 3.5Å; F676-T753 VanDerWaalsContact CD1-CG2 3.5Å; F676-T753 HydrophobicContact CE1-CG2 4.39Å; F676-T753 HydrophobicContact CG-CG2 3.7Å
677	N	93.4	Very high	95	Very high	55 Å²	55	35.7 Å²	35.7	29%	0.294	19%	0.187	S	C	.	.	H	α-helix	trans	-56.2	-35.9	176.5	-63.1	-6.5	0	0	0	113.5	R592 H675 I680 Q681	R592-N677 PolarHBondContact NE-OD1 2.74Å; H675-N677 PolarHBondContact ND1-N 2.89Å; H675-N677 VanDerWaalsContact ND1-N 3.16Å; H675-N677 PolarHBondContact O-N 3.42Å; N677-I680 PolarHBondContact O-N 3.17Å; N677-Q681 WeakPolarHBondContact O-CG 3.44Å; N677-Q681 PolarHBondContact O-N 3.42Å
678	Q	93.4	Very high	95	Very high	53 Å²	53	38.5 Å²	38.5	25%	0.248	20%	0.198	C	C	.	.	H	α-helix	trans	-70.4	-42	176.4	-177	69.7	46.6	0	0	110.4	R266 Q674 H675 F676 I680 Q681 L682	R266-Q678 PolarHBondContact O-NE2 2.66Å; Q674-Q678 HydrophobicContact CB-CB 4.34Å; Q674-Q678 HydrophobicContact CB-CG 4.19Å; H675-Q678 WeakPolarHBondContact O-CA 3.49Å; H675-Q678 VanDerWaalsContact O-CB 3.24Å; H675-Q678 WeakPolarHBondContact O-CB 3.3Å; H675-Q678 PolarHBondContact O-N 2.83Å; F676-Q678 PolarHBondContact O-N 3.15Å; Q678-I680 VanDerWaalsContact C-N 3.28Å; Q678-I680 PolarHBondContact O-N 3.19Å; Q678-Q681 PolarHBondContact O-N 2.93Å; Q678-L682 HydrophobicContact CG-CD1 4.04Å; Q678-L682 HydrophobicContact CG-CG 4.38Å; Q678-L682 WeakPolarHBondContact O-CB 3.45Å; Q678-L682 WeakPolarHBondContact O-CG 3.44Å; Q678-L682 PolarHBondContact O-N 3.33Å
679	R	95.8	Very high	95.1	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-57.2	-42.8	173.4	-62	-165.2	-52.8	-101.9	8.2	111.1	D662 V663 V671 R672 Q674 H675 F676 L682 A683 A789 C794	D662-R679 IonicContact OD1-CZ 3.14Å; D662-R679 IonicContact OD1-NE 3.09Å; D662-R679 PolarHBondContact OD1-NE 3.48Å; D662-R679 IonicContact OD1-NH2 3.07Å; D662-R679 IonicContact OD2-CZ 3.65Å; D662-R679 IonicContact OD2-NE 3.8Å; D662-R679 PolarHBondContact OD2-NE 3.14Å; D662-R679 IonicContact OD2-NH2 2.74Å; D662-R679 PolarHBondContact OD2-NH2 2.83Å; V663-R679 HydrophobicContact CG2-CB 3.76Å; V663-R679 WeakPolarHBondContact CG2-O 3.31Å; V671-R679 WeakPolarHBondContact O-CD 3.34Å; V671-R679 WeakPolarHBondContact O-CG 3.31Å; R672-R679 PolarHBondContact O-NH1 2.76Å; Q674-R679 HydrophobicContact CB-CG 3.89Å; Q674-R679 WeakPolarHBondContact O-CG 3.32Å; Q674-R679 PolarHBondContact O-NH1 3.09Å; H675-R679 PolarHBondContact O-N 3.32Å; F676-R679 WeakPolarHBondContact O-CB 3.48Å; F676-R679 PolarHBondContact O-N 2.96Å; R679-L682 PolarHBondContact O-N 3.07Å; R679-A683 WeakPolarHBondContact O-CB 3.48Å; R679-A683 PolarHBondContact O-N 3.16Å; R679-A789 PolarHBondContact NH1-O 3.21Å; R679-A789 VanDerWaalsContact NH1-O 3.12Å; R679-C794 PolarHBondContact NH2-SG 3.45Å
680	I	96	Very high	95.1	Very high	11 Å²	11	34.9 Å²	34.9	6%	0.056	17%	0.168	C	C	.	.	H	α-helix	trans	-63.8	-45.2	175.6	-61.5	-67.2	0	0	0	112.1	F676 N677 Q678 L682 A683 E684 V703 V706	F676-I680 HydrophobicContact CD1-CG1 4.34Å; F676-I680 HydrophobicContact CE1-CG1 4.04Å; F676-I680 HydrophobicContact CE2-CD1 4.22Å; F676-I680 HydrophobicContact CE2-CG1 4.29Å; F676-I680 HydrophobicContact CZ-CD1 4Å; F676-I680 HydrophobicContact CZ-CG1 4Å; F676-I680 WeakPolarHBondContact O-CG1 3.4Å; F676-I680 PolarHBondContact O-N 3.28Å; N677-I680 PolarHBondContact O-N 3.17Å; Q678-I680 VanDerWaalsContact C-N 3.28Å; Q678-I680 PolarHBondContact O-N 3.19Å; I680-L682 VanDerWaalsContact C-N 3.34Å; I680-L682 PolarHBondContact O-N 2.87Å; I680-A683 WeakPolarHBondContact O-CA 3.44Å; I680-A683 VanDerWaalsContact O-CB 3.29Å; I680-A683 WeakPolarHBondContact O-CB 3.2Å; I680-A683 PolarHBondContact O-N 3.01Å; I680-A683 VanDerWaalsContact O-N 3.14Å; I680-E684 PolarHBondContact O-N 2.86Å; I680-V703 HydrophobicContact CG2-CG1 3.92Å; I680-V706 HydrophobicContact CD1-CG2 3.97Å; I680-V706 HydrophobicContact CG1-CG2 4.02Å; I680-V706 HydrophobicContact CG2-CG2 4.07Å
681	Q	95.2	Very high	95.1	Very high	87 Å²	87	33.9 Å²	33.9	41%	0.407	17%	0.166	S	C	.	.	H	α-helix	trans	-63	-38.5	175.1	-73.4	172.4	-7.3	0	0	112.7	N677 Q678 A683 E684 K685	N677-Q681 WeakPolarHBondContact O-CG 3.44Å; N677-Q681 PolarHBondContact O-N 3.42Å; Q678-Q681 PolarHBondContact O-N 2.93Å; Q681-A683 VanDerWaalsContact C-N 3.32Å; Q681-E684 PolarHBondContact O-N 3.48Å; Q681-K685 WeakPolarHBondContact O-CB 3.41Å; Q681-K685 PolarHBondContact O-N 3.49Å
682	L	95.5	Very high	95	Very high	13 Å²	13	35 Å²	35	7%	0.068	17%	0.17	C	C	.	.	H	α-helix	trans	-66.8	-34.9	174	-67.8	172.8	0	0	0	111.2	W293 L666 V671 Q678 R679 I680 F686	W293-L682 HydrophobicContact CH2-CB 3.96Å; W293-L682 HydrophobicContact CH2-CD2 3.82Å; W293-L682 HydrophobicContact CH2-CG 4.35Å; W293-L682 WeakPolarHBondContact CZ3-O 3.41Å; L666-L682 HydrophobicContact CD1-CB 4.08Å; V671-L682 HydrophobicContact CB-CD1 4.34Å; V671-L682 HydrophobicContact CG1-CD1 3.95Å; Q678-L682 HydrophobicContact CG-CD1 4.04Å; Q678-L682 HydrophobicContact CG-CG 4.38Å; Q678-L682 WeakPolarHBondContact O-CB 3.45Å; Q678-L682 WeakPolarHBondContact O-CG 3.44Å; Q678-L682 PolarHBondContact O-N 3.33Å; R679-L682 PolarHBondContact O-N 3.07Å; I680-L682 VanDerWaalsContact C-N 3.34Å; I680-L682 PolarHBondContact O-N 2.87Å; L682-F686 VanDerWaalsContact O-CB 3.28Å; L682-F686 WeakPolarHBondContact O-CB 3.48Å; L682-F686 PolarHBondContact O-N 3.36Å
683	A	96.4	Very high	94.7	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-64.4	-42.2	170.9	0	0	0	0	0	112	I660 V663 R679 I680 Q681 F686 V687 V703	I660-A683 HydrophobicContact CG2-CB 4.27Å; V663-A683 HydrophobicContact CG1-CB 3.49Å; V663-A683 VanDerWaalsContact CG1-CB 3.49Å; V663-A683 HydrophobicContact CG2-CB 4.28Å; R679-A683 WeakPolarHBondContact O-CB 3.48Å; R679-A683 PolarHBondContact O-N 3.16Å; I680-A683 WeakPolarHBondContact O-CA 3.44Å; I680-A683 VanDerWaalsContact O-CB 3.29Å; I680-A683 WeakPolarHBondContact O-CB 3.2Å; I680-A683 PolarHBondContact O-N 3.01Å; I680-A683 VanDerWaalsContact O-N 3.14Å; Q681-A683 VanDerWaalsContact C-N 3.32Å; A683-F686 PolarHBondContact O-N 2.9Å; A683-V687 WeakPolarHBondContact O-CB 3.37Å; A683-V687 WeakPolarHBondContact O-CG2 3.46Å; A683-V687 PolarHBondContact O-N 2.81Å; A683-V703 HydrophobicContact CB-CG1 4.21Å; A683-V703 HydrophobicContact CB-CG2 3.81Å
684	E	95.6	Very high	94.5	Very high	87 Å²	87	33.2 Å²	33.2	41%	0.407	17%	0.171	S	C	.	.	H	α-helix	trans	-63.3	-45.1	177.3	-71	178.8	141.9	0	0	110.9	I680 Q681 V687 K688 V703	I680-E684 PolarHBondContact O-N 2.86Å; Q681-E684 PolarHBondContact O-N 3.48Å; E684-V687 PolarHBondContact O-N 3.22Å; E684-K688 PolarHBondContact O-N 3.06Å; E684-V703 HydrophobicContact CB-CG2 4.45Å; E684-V703 HydrophobicContact CG-CB 3.96Å; E684-V703 HydrophobicContact CG-CG1 4.1Å; E684-V703 HydrophobicContact CG-CG2 3.89Å
685	K	95.4	Very high	94.3	Very high	3 Å²	3	31.7 Å²	31.7	1%	0.013	16%	0.162	C	C	.	.	H	α-helix	trans	-57.8	-48.1	173	178.1	173.2	-176.7	162.7	0	112.1	K264 D265 E267 E269 L270 W293 H294 Q681 K688 A689	K264-K685 PolarHBondContact O-NZ 3.27Å; D265-K685 PolarHBondContact O-NZ 3.35Å; E267-K685 VanDerWaalsContact O-CD 3.31Å; E267-K685 WeakPolarHBondContact O-CD 3.47Å; E267-K685 PolarHBondContact O-NZ 2.98Å; E269-K685 WeakPolarHBondContact O-CE 3.29Å; E269-K685 PolarHBondContact O-NZ 2.9Å; L270-K685 HydrophobicContact CD2-CD 4.37Å; L270-K685 HydrophobicContact CD2-CG 3.61Å; L270-K685 HydrophobicContact CG-CG 4.07Å; W293-K685 HydrophobicContact CZ3-CB 4.4Å; W293-K685 HydrophobicContact CZ3-CD 4.23Å; W293-K685 HydrophobicContact CZ3-CG 4.16Å; H294-K685 WeakPolarHBondContact ND1-CE 3.22Å; Q681-K685 WeakPolarHBondContact O-CB 3.41Å; Q681-K685 PolarHBondContact O-N 3.49Å; K685-K688 PolarHBondContact O-N 3.32Å; K685-A689 PolarHBondContact O-N 3.1Å
686	F	96.6	Very high	93.9	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-62.6	-45.2	178.2	-179.4	-99.1	0	0	0	112.1	W293 L631 P632 T635 L666 N667 L682 A683 K688 A689 V690	W293-F686 HydrophobicContact CB-CD2 3.83Å; W293-F686 HydrophobicContact CB-CE2 4.07Å; W293-F686 HydrophobicContact CD2-CD2 4.03Å; W293-F686 HydrophobicContact CE3-CB 3.82Å; W293-F686 AromaticContact CE3-CD2 3.79Å; W293-F686 HydrophobicContact CE3-CD2 3.79Å; W293-F686 HydrophobicContact CE3-CG 4.32Å; W293-F686 HydrophobicContact CG-CD2 4.1Å; W293-F686 HydrophobicContact CZ3-CB 3.93Å; L631-F686 HydrophobicContact CD2-CE1 3.71Å; L631-F686 HydrophobicContact CD2-CZ 4.11Å; P632-F686 HydrophobicContact CB-CE2 4.43Å; P632-F686 HydrophobicContact CB-CZ 4.37Å; P632-F686 HydrophobicContact CG-CE2 4.01Å; P632-F686 HydrophobicContact CG-CZ 3.93Å; T635-F686 HydrophobicContact CG2-CE1 3.99Å; T635-F686 HydrophobicContact CG2-CZ 3.71Å; L666-F686 HydrophobicContact CB-CD2 4.14Å; L666-F686 HydrophobicContact CB-CE2 4.39Å; L666-F686 HydrophobicContact CD1-CB 4.16Å; L666-F686 HydrophobicContact CD1-CG 4.49Å; L666-F686 HydrophobicContact CD2-CB 4.23Å; L666-F686 HydrophobicContact CD2-CD1 3.92Å; L666-F686 HydrophobicContact CD2-CD2 3.97Å; L666-F686 HydrophobicContact CD2-CE1 4.21Å; L666-F686 HydrophobicContact CD2-CE2 4.27Å; L666-F686 HydrophobicContact CD2-CG 3.79Å; L666-F686 HydrophobicContact CD2-CZ 4.37Å; L666-F686 HydrophobicContact CG-CD2 4.47Å; N667-F686 HydrophobicContact CB-CE2 4.48Å; L682-F686 VanDerWaalsContact O-CB 3.28Å; L682-F686 WeakPolarHBondContact O-CB 3.48Å; L682-F686 PolarHBondContact O-N 3.36Å; A683-F686 PolarHBondContact O-N 2.9Å; F686-K688 VanDerWaalsContact C-N 3.33Å; F686-K688 PolarHBondContact O-N 2.68Å; F686-A689 WeakPolarHBondContact O-CB 3.31Å; F686-A689 PolarHBondContact O-N 3.25Å; F686-A689 VanDerWaalsContact O-N 3.09Å; F686-V690 HydrophobicContact CE1-CG1 4.14Å; F686-V690 HydrophobicContact CE1-CG2 4.46Å; F686-V690 HydrophobicContact CE2-CG1 4.22Å; F686-V690 HydrophobicContact CZ-CG1 3.99Å; F686-V690 PolarHBondContact O-N 3.28Å
687	V	95.8	Very high	93.7	Very high	23 Å²	23	39.6 Å²	39.6	14%	0.139	21%	0.211	C	C	.	.	H	α-helix	trans	-61.2	-40.9	175.5	168.6	0	0	0	0	111.2	I660 A683 E684 A689 V690 S691 I701 V703	I660-V687 HydrophobicContact CD1-CG2 3.62Å; A683-V687 WeakPolarHBondContact O-CB 3.37Å; A683-V687 WeakPolarHBondContact O-CG2 3.46Å; A683-V687 PolarHBondContact O-N 2.81Å; E684-V687 PolarHBondContact O-N 3.22Å; V687-A689 VanDerWaalsContact C-N 3.28Å; V687-A689 PolarHBondContact O-N 2.99Å; V687-V690 PolarHBondContact O-N 3Å; V687-S691 VanDerWaalsContact O-CB 3.26Å; V687-S691 WeakPolarHBondContact O-CB 3.37Å; V687-S691 PolarHBondContact O-N 3.36Å; V687-I701 WeakPolarHBondContact CG1-O 3.48Å; V687-I701 HydrophobicContact CG2-CG2 3.87Å; V687-V703 HydrophobicContact CB-CG2 4.34Å; V687-V703 HydrophobicContact CG2-CG2 3.85Å
688	K	94.6	Very high	93.6	Very high	75 Å²	75	38.2 Å²	38.2	33%	0.326	20%	0.203	S	C	.	.	H	α-helix	trans	-61.9	-36.9	174.4	-159.8	177.2	-165.7	-160.7	0	111.3	L270 Y272 D354 E684 K685 F686 S691	L270-K688 HydrophobicContact CD1-CB 3.83Å; L270-K688 HydrophobicContact CD1-CD 4.35Å; L270-K688 HydrophobicContact CD1-CG 4.03Å; Y272-K688 WeakPolarHBondContact OH-CD 3.29Å; Y272-K688 WeakPolarHBondContact OH-CE 3.43Å; Y272-K688 PolarHBondContact OH-NZ 3.38Å; D354-K688 IonicContact OD1-NZ 3.23Å; D354-K688 PolarHBondContact OD1-NZ 3.1Å; D354-K688 IonicContact OD2-NZ 2.75Å; D354-K688 PolarHBondContact OD2-NZ 2.84Å; E684-K688 PolarHBondContact O-N 3.06Å; K685-K688 PolarHBondContact O-N 3.32Å; F686-K688 VanDerWaalsContact C-N 3.33Å; F686-K688 PolarHBondContact O-N 2.68Å; K688-S691 PolarHBondContact O-OG 2.83Å
689	A	95.6	Very high	93.7	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-71.8	-39.8	178.8	0	0	0	0	0	114	L270 K296 L320 K685 F686 V687	L270-A689 HydrophobicContact CD1-CB 3.88Å; L270-A689 HydrophobicContact CD2-CB 3.85Å; K296-A689 VanDerWaalsContact CD-O 3.24Å; K296-A689 WeakPolarHBondContact CD-O 3.31Å; L320-A689 HydrophobicContact CD2-CB 3.82Å; K685-A689 PolarHBondContact O-N 3.1Å; F686-A689 WeakPolarHBondContact O-CB 3.31Å; F686-A689 PolarHBondContact O-N 3.25Å; F686-A689 VanDerWaalsContact O-N 3.09Å; V687-A689 VanDerWaalsContact C-N 3.28Å; V687-A689 PolarHBondContact O-N 2.99Å
690	V	95.8	Very high	93.6	Very high	11 Å²	11	38.4 Å²	38.4	7%	0.067	21%	0.208	C	C	.	.	H	α-helix	trans	-88.1	-10.6	179.4	-54.4	0	0	0	0	113.9	L320 L631 P632 F686 V687 I701	L320-V690 HydrophobicContact CD2-CG1 3.84Å; L631-V690 HydrophobicContact CD2-CG2 4.35Å; P632-V690 VanDerWaalsContact CD-CG1 3.47Å; P632-V690 HydrophobicContact CG-CG1 3.66Å; F686-V690 HydrophobicContact CE1-CG1 4.14Å; F686-V690 HydrophobicContact CE1-CG2 4.46Å; F686-V690 HydrophobicContact CE2-CG1 4.22Å; F686-V690 HydrophobicContact CZ-CG1 3.99Å; F686-V690 PolarHBondContact O-N 3.28Å; V687-V690 PolarHBondContact O-N 3Å; V690-I701 HydrophobicContact CG2-CD1 4.43Å
691	S	93.4	Very high	93.6	Very high	42 Å²	42	38.8 Å²	38.8	29%	0.294	21%	0.21	S	C	.	.			trans	-61.7	141.2	178.8	68	0	0	0	0	111.4	K296 V687 K688	K296-S691 PolarHBondContact NZ-O 3.23Å; V687-S691 VanDerWaalsContact O-CB 3.26Å; V687-S691 WeakPolarHBondContact O-CB 3.37Å; V687-S691 PolarHBondContact O-N 3.36Å; K688-S691 PolarHBondContact O-OG 2.83Å
692	K	92.8	Very high	93.5	Very high	30 Å²	30	38.5 Å²	38.5	13%	0.13	21%	0.205	C	C	.	.			trans	-126	75.7	177.2	-65.4	-174.3	177.3	-175.3	0	111.9	E319 F321 E322 E630 S694 R695 M698	E319-K692 VanDerWaalsContact O-CE 3.31Å; E319-K692 WeakPolarHBondContact O-CE 3.16Å; F321-K692 WeakPolarHBondContact O-CE 3.24Å; E322-K692 HydrophobicContact CG-CG 4.42Å; E322-K692 VanDerWaalsContact OE1-CA 3.27Å; E322-K692 WeakPolarHBondContact OE1-CA 3.38Å; E322-K692 WeakPolarHBondContact OE2-CA 3.26Å; E630-K692 IonicContact OE2-NZ 3.98Å; E630-K692 PolarHBondContact OE2-NZ 3.47Å; K692-S694 PolarHBondContact O-N 3.25Å; K692-R695 HydrophobicContact CB-CB 4.18Å; K692-R695 HydrophobicContact CB-CG 4.31Å; K692-R695 WeakPolarHBondContact O-CB 3.11Å; K692-R695 PolarHBondContact O-N 3.36Å; K692-M698 HydrophobicContact CB-SD 4.19Å; K692-M698 HydrophobicContact CD-CE 4.32Å; K692-M698 HydrophobicContact CD-SD 4.08Å
693	P	89.6	Confident	93.5	Very high	74 Å²	74	39.2 Å²	39.2	48%	0.481	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-18.8	-172.6	-28.5	43.3	0	0	0	115.1	E322 N352 R695	E322-P693 VanDerWaalsContact OE1-N 3.13Å; E322-P693 WeakPolarHBondContact OE2-CD 3.38Å; N352-P693 VanDerWaalsContact OD1-CG 3.24Å; N352-P693 WeakPolarHBondContact OD1-CG 3.44Å; P693-R695 PolarHBondContact O-N 3.27Å
694	S	88.8	Confident	93.4	Very high	22 Å²	22	39.7 Å²	39.7	15%	0.154	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-9.4	169.6	66.9	0	0	0	0	114	E322 K692 P696	E322-S694 VanDerWaalsContact OE1-CB 3.25Å; E322-S694 WeakPolarHBondContact OE1-CB 3.39Å; E322-S694 PolarHBondContact OE1-N 2.8Å; E322-S694 PolarHBondContact OE1-OG 3.18Å; K692-S694 PolarHBondContact O-N 3.25Å; S694-P696 VanDerWaalsContact C-CD 3.42Å; S694-P696 WeakPolarHBondContact O-CD 3.42Å
695	R	90.1	Very high	93.3	Very high	59 Å²	59	37.5 Å²	37.5	22%	0.223	20%	0.202	C	C	.	.			trans	-115.6	72.2	-174.3	-65.6	-62.7	-56.9	-75.8	-14.8	111.7	K692 P693 D697 M698	K692-R695 HydrophobicContact CB-CB 4.18Å; K692-R695 HydrophobicContact CB-CG 4.31Å; K692-R695 WeakPolarHBondContact O-CB 3.11Å; K692-R695 PolarHBondContact O-N 3.36Å; P693-R695 PolarHBondContact O-N 3.27Å; R695-D697 WeakPolarHBondContact CA-OD1 3.43Å; R695-D697 IonicContact CZ-OD1 2.81Å; R695-D697 IonicContact CZ-OD2 3.83Å; R695-D697 IonicContact NE-OD1 3.15Å; R695-D697 PolarHBondContact NE-OD1 3.24Å; R695-D697 IonicContact NE-OD2 3.1Å; R695-D697 IonicContact NH2-OD1 3.98Å; R695-D697 PolarHBondContact NH2-OD1 3.09Å; R695-D697 IonicContact NH2-OD2 2.78Å; R695-D697 PolarHBondContact NH2-OD2 3.47Å; R695-D697 PolarHBondContact O-N 2.86Å; R695-M698 HydrophobicContact CB-CG 3.93Å; R695-M698 HydrophobicContact CB-SD 3.68Å; R695-M698 HydrophobicContact CG-SD 4.19Å; R695-M698 PolarHBondContact O-N 3.11Å
696	P	87.3	Confident	93.3	Very high	120 Å²	120	39.3 Å²	39.3	78%	0.779	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-9	-179.5	30.3	-37.5	0	0	0	113.6	S694 M698	S694-P696 VanDerWaalsContact C-CD 3.42Å; S694-P696 WeakPolarHBondContact O-CD 3.42Å; P696-M698 VanDerWaalsContact C-N 3.34Å
697	D	90.1	Very high	93.3	Very high	66 Å²	66	40.3 Å²	40.3	35%	0.353	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-12.4	172.9	67.1	-62.1	0	0	0	113.8	K628 R695	K628-D697 WeakPolarHBondContact CE-OD2 3.35Å; K628-D697 IonicContact NZ-OD2 2.68Å; K628-D697 PolarHBondContact NZ-OD2 3.47Å; R695-D697 WeakPolarHBondContact CA-OD1 3.43Å; R695-D697 IonicContact CZ-OD1 2.81Å; R695-D697 IonicContact CZ-OD2 3.83Å; R695-D697 IonicContact NE-OD1 3.15Å; R695-D697 PolarHBondContact NE-OD1 3.24Å; R695-D697 IonicContact NE-OD2 3.1Å; R695-D697 IonicContact NH2-OD1 3.98Å; R695-D697 PolarHBondContact NH2-OD1 3.09Å; R695-D697 IonicContact NH2-OD2 2.78Å; R695-D697 PolarHBondContact NH2-OD2 3.47Å; R695-D697 PolarHBondContact O-N 2.86Å
698	M	92.8	Very high	93.2	Very high	26 Å²	26	44.5 Å²	44.5	13%	0.128	23%	0.23	C	C	.	.	S	Bend	trans	-85.7	145.7	-180	-68.9	-179.8	69.6	0	0	112.8	K628 E630 K692 R695 P696	K628-M698 CarbonylContact O-C 3.15Å; K628-M698 WeakPolarHBondContact O-CA 3.42Å; K628-M698 WeakPolarHBondContact O-CB 3.41Å; E630-M698 HydrophobicContact CB-CE 4.09Å; E630-M698 HydrophobicContact CG-CE 3.95Å; K692-M698 HydrophobicContact CB-SD 4.19Å; K692-M698 HydrophobicContact CD-CE 4.32Å; K692-M698 HydrophobicContact CD-SD 4.08Å; R695-M698 HydrophobicContact CB-CG 3.93Å; R695-M698 HydrophobicContact CB-SD 3.68Å; R695-M698 HydrophobicContact CG-SD 4.19Å; R695-M698 PolarHBondContact O-N 3.11Å; P696-M698 VanDerWaalsContact C-N 3.34Å
699	N	94.9	Very high	93.3	Very high	30 Å²	30	41 Å²	41	16%	0.16	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-72.9	128.4	173.8	-70.6	100.5	0	0	0	110.4	L627 K628 T629 S656	L627-N699 HydrophobicContact CB-CB 3.99Å; L627-N699 HydrophobicContact CD1-CB 4.43Å; L627-N699 HydrophobicContact CD2-CB 4.39Å; K628-N699 PolarHBondContact N-OD1 3.42Å; K628-N699 PolarHBondContact O-N 3.38Å; T629-N699 WeakPolarHBondContact CB-O 3.33Å; T629-N699 PolarHBondContact OG1-O 2.93Å; S656-N699 PolarHBondContact O-ND2 3.36Å
700	P	93.6	Very high	93.2	Very high	28 Å²	28	41.5 Å²	41.5	18%	0.182	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-73.9	148.8	-173.6	29.8	-35.2	0	0	0	112.4	I655 A657 I658	I655-P700 HydrophobicContact CD1-CG 4.44Å; A657-P700 WeakPolarHBondContact CA-O 3.41Å; A657-P700 HydrophobicContact CB-CG 3.81Å; I658-P700 PolarHBondContact N-O 3.15Å
701	I	95.4	Very high	93.2	Very high	19 Å²	19	42.8 Å²	42.8	10%	0.097	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	131.5	167.2	-48.4	-175.4	0	0	0	107	L631 I658 I660 V687 V690	L631-I701 HydrophobicContact CD1-CD1 4.28Å; L631-I701 HydrophobicContact CD2-CD1 3.58Å; L631-I701 HydrophobicContact CG-CD1 3.84Å; I658-I701 HydrophobicContact CB-CG1 4.4Å; I658-I701 HydrophobicContact CB-CG2 4.27Å; I658-I701 HydrophobicContact CD1-CD1 4.45Å; I658-I701 HydrophobicContact CD1-CG1 4.29Å; I658-I701 HydrophobicContact CG2-CG2 4.27Å; I658-I701 CarbonylContact O-C 3.57Å; I658-I701 WeakPolarHBondContact O-CA 3.48Å; I660-I701 HydrophobicContact CD1-CG2 3.9Å; I660-I701 HydrophobicContact CG1-CG2 4.16Å; V687-I701 WeakPolarHBondContact CG1-O 3.48Å; V687-I701 HydrophobicContact CG2-CG2 3.87Å; V690-I701 HydrophobicContact CG2-CD1 4.43Å
702	R	94.2	Very high	93.2	Very high	81 Å²	81	40.8 Å²	40.8	31%	0.306	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	151.5	-178.3	-55.4	-60.1	-162.9	160.2	13	109.4	E644 I658 H659 I660 D739	E644-R702 IonicContact OE1-NE 3.86Å; E644-R702 PolarHBondContact OE1-NE 3.41Å; E644-R702 IonicContact OE2-NH2 2.69Å; I658-R702 PolarHBondContact O-N 2.88Å; H659-R702 CarbonylContact C-O 3.48Å; H659-R702 WeakPolarHBondContact CA-O 3.16Å; I660-R702 PolarHBondContact N-O 2.83Å; R702-D739 IonicContact CZ-OD2 2.78Å; R702-D739 IonicContact NH2-OD2 3.12Å; R702-D739 PolarHBondContact NH2-OD2 2.9Å
703	V	95.9	Very high	93.2	Very high	28 Å²	28	42.8 Å²	42.8	17%	0.17	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	138.5	162.3	-173.9	0	0	0	0	108.1	I660 I680 A683 E684 V687	I660-V703 HydrophobicContact CD1-CG2 4.46Å; I680-V703 HydrophobicContact CG2-CG1 3.92Å; A683-V703 HydrophobicContact CB-CG1 4.21Å; A683-V703 HydrophobicContact CB-CG2 3.81Å; E684-V703 HydrophobicContact CB-CG2 4.45Å; E684-V703 HydrophobicContact CG-CB 3.96Å; E684-V703 HydrophobicContact CG-CG1 4.1Å; E684-V703 HydrophobicContact CG-CG2 3.89Å; V687-V703 HydrophobicContact CB-CG2 4.34Å; V687-V703 HydrophobicContact CG2-CG2 3.85Å
704	K	93.4	Very high	93.4	Very high	10 Å²	10	43.6 Å²	43.6	4%	0.043	21%	0.214	C	C	.	.			trans	-65.5	141	174.8	-82.2	-73.1	-169.9	174.4	0	110.6	M594 V595 E640 H659 I660 L661 V706 F743	M594-K704 HydrophobicContact CB-CB 4.48Å; M594-K704 HydrophobicContact SD-CB 4.5Å; V595-K704 VanDerWaalsContact O-CE 3.31Å; V595-K704 WeakPolarHBondContact O-CE 3.5Å; V595-K704 PolarHBondContact O-NZ 3.22Å; E640-K704 WeakPolarHBondContact OE1-CE 3.47Å; E640-K704 IonicContact OE1-NZ 2.68Å; E640-K704 PolarHBondContact OE1-NZ 2.88Å; H659-K704 HydrophobicContact CB-CD 4.24Å; H659-K704 HydrophobicContact CB-CG 4.14Å; H659-K704 WeakPolarHBondContact ND1-CE 3.19Å; I660-K704 WeakPolarHBondContact O-CB 3.44Å; I660-K704 WeakPolarHBondContact O-CG 3.29Å; I660-K704 PolarHBondContact O-N 2.97Å; L661-K704 HydrophobicContact CD2-CB 4.45Å; L661-K704 HydrophobicContact CD2-CG 3.81Å; L661-K704 HydrophobicContact CG-CG 4.38Å; K704-V706 PolarHBondContact O-N 2.79Å; K704-F743 VanDerWaalsContact NZ-CZ 3.26Å
705	E	93.1	Very high	93.7	Very high	41 Å²	41	42.5 Å²	42.5	19%	0.192	21%	0.207	C	C	.	.			trans	-73.2	115.8	175.3	-168.8	161.3	-152.3	0	0	110.1	Y707 R718 Y735 R738	E705-Y707 HydrophobicContact CB-CE2 4.13Å; E705-Y707 HydrophobicContact CG-CD2 4.42Å; E705-Y707 HydrophobicContact CG-CE2 3.71Å; E705-Y707 PolarHBondContact OE2-OH 2.63Å; E705-R718 IonicContact OE1-NH1 2.68Å; E705-R718 PolarHBondContact OE1-NH1 3.19Å; E705-R718 IonicContact OE2-CZ 2.67Å; E705-R718 IonicContact OE2-NH1 2.84Å; E705-R718 PolarHBondContact OE2-NH1 3.45Å; E705-R718 IonicContact OE2-NH2 3.45Å; E705-R718 PolarHBondContact OE2-NH2 3.17Å; E705-Y735 PolarHBondContact OE2-OH 3.35Å; E705-R738 IonicContact OE1-CZ 2.71Å; E705-R738 VanDerWaalsContact OE1-CZ 3.22Å; E705-R738 IonicContact OE1-NE 3.48Å; E705-R738 PolarHBondContact OE1-NE 2.68Å; E705-R738 IonicContact OE1-NH2 3.62Å; E705-R738 PolarHBondContact OE1-NH2 3.12Å; E705-R738 IonicContact OE2-NE 2.81Å
706	V	95.3	Very high	93.8	Very high	41 Å²	41	40.5 Å²	40.5	25%	0.248	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-95.9	121.5	-178.3	173.5	0	0	0	0	109.6	R592 F676 I680 K704	R592-V706 HydrophobicContact CB-CG1 3.78Å; R592-V706 HydrophobicContact CG-CG1 4.09Å; F676-V706 HydrophobicContact CE1-CG1 3.75Å; F676-V706 HydrophobicContact CE1-CG2 4.09Å; F676-V706 HydrophobicContact CZ-CG2 4.22Å; I680-V706 HydrophobicContact CD1-CG2 3.97Å; I680-V706 HydrophobicContact CG1-CG2 4.02Å; I680-V706 HydrophobicContact CG2-CG2 4.07Å; K704-V706 PolarHBondContact O-N 2.79Å
707	Y	96.1	Very high	94.1	Very high	20 Å²	20	40.7 Å²	40.7	8%	0.078	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	149.5	174.2	-65.7	-94.1	0	0	0	110.3	R592 C593 E705 K714 I715 R718 Y735	R592-Y707 CarbonylContact C-O 3.56Å; R592-Y707 VanDerWaalsContact CA-O 3.26Å; R592-Y707 WeakPolarHBondContact CA-O 3.44Å; R592-Y707 WeakPolarHBondContact CB-O 3.41Å; C593-Y707 PolarHBondContact N-O 3.45Å; C593-Y707 PolarHBondContact O-N 2.9Å; E705-Y707 HydrophobicContact CB-CE2 4.13Å; E705-Y707 HydrophobicContact CG-CD2 4.42Å; E705-Y707 HydrophobicContact CG-CE2 3.71Å; E705-Y707 PolarHBondContact OE2-OH 2.63Å; Y707-K714 HydrophobicContact CD1-CB 4.07Å; Y707-K714 HydrophobicContact CE1-CB 3.81Å; Y707-I715 HydrophobicContact CD1-CG1 4.08Å; Y707-I715 HydrophobicContact CD2-CD1 3.64Å; Y707-I715 HydrophobicContact CD2-CG1 3.52Å; Y707-I715 HydrophobicContact CE1-CG1 4.16Å; Y707-I715 HydrophobicContact CE2-CD1 4.17Å; Y707-I715 HydrophobicContact CE2-CG1 3.61Å; Y707-I715 HydrophobicContact CG-CD1 3.91Å; Y707-I715 HydrophobicContact CG-CG1 3.76Å; Y707-R718 PolarHBondContact OH-NH1 3.03Å; Y707-Y735 WeakPolarHBondContact CE2-OH 3.31Å; Y707-Y735 PolarHBondContact OH-OH 2.88Å
708	R	95.7	Very high	94.2	Very high	111 Å²	111	40 Å²	40	42%	0.419	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	134.4	164.5	-57.2	-174.6	-75.3	-172.8	2.1	107.6	E710 E711	R708-E710 VanDerWaalsContact CB-CD 3.5Å; R708-E710 WeakPolarHBondContact CB-OE1 3.04Å; R708-E710 WeakPolarHBondContact CB-OE2 3.47Å; R708-E710 WeakPolarHBondContact CD-OE1 3.43Å; R708-E710 IonicContact NE-OE1 2.72Å; R708-E710 PolarHBondContact O-N 3.19Å; R708-E711 HydrophobicContact CB-CG 4.24Å; R708-E711 IonicContact CZ-OE1 3.39Å; R708-E711 IonicContact CZ-OE2 3.55Å; R708-E711 VanDerWaalsContact NE-CD 3.3Å; R708-E711 IonicContact NE-OE1 3.74Å; R708-E711 IonicContact NE-OE2 2.72Å; R708-E711 PolarHBondContact NE-OE2 2.84Å; R708-E711 IonicContact NH2-OE1 2.61Å; R708-E711 PolarHBondContact NH2-OE1 3.14Å; R708-E711 IonicContact NH2-OE2 3.8Å; R708-E711 PolarHBondContact NH2-OE2 3.38Å; R708-E711 VanDerWaalsContact NH2-OE2 3.14Å; R708-E711 WeakPolarHBondContact O-CA 3.37Å; R708-E711 PolarHBondContact O-N 2.79Å
709	L	95.6	Very high	94.2	Very high	1 Å²	1	39 Å²	39	1%	0.005	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-59.4	-35.9	-174	179.6	64	0	0	0	111.3	I585 V588 Y591 C593 E711 M712 I750 I830	I585-L709 HydrophobicContact CG2-CD2 3.42Å; I585-L709 VanDerWaalsContact CG2-CD2 3.42Å; V588-L709 HydrophobicContact CG1-CB 4.12Å; V588-L709 HydrophobicContact CG1-CD2 4.04Å; V588-L709 HydrophobicContact CG1-CG 3.94Å; Y591-L709 HydrophobicContact CG-CD2 4.13Å; Y591-L709 WeakPolarHBondContact O-CB 3.34Å; Y591-L709 PolarHBondContact O-N 3.41Å; Y591-L709 VanDerWaalsContact O-N 3.09Å; C593-L709 HydrophobicContact CB-CD1 4.21Å; L709-E711 PolarHBondContact O-N 3.11Å; L709-E711 VanDerWaalsContact O-N 3.17Å; L709-M712 HydrophobicContact CD1-CE 3.44Å; L709-M712 VanDerWaalsContact CD1-CE 3.44Å; L709-M712 HydrophobicContact CD1-SD 4.47Å; L709-M712 WeakPolarHBondContact O-CB 3.31Å; L709-M712 PolarHBondContact O-N 3.24Å; L709-I750 HydrophobicContact CD1-CD1 4.15Å; L709-I750 HydrophobicContact CD1-CG1 4.38Å; L709-I750 HydrophobicContact CD1-CG2 4.15Å; L709-I750 HydrophobicContact CD2-CG2 3.95Å; L709-I830 HydrophobicContact CD1-CD1 3.91Å; L709-I830 HydrophobicContact CG-CD1 4.13Å; L709-I830 HydrophobicContact CG-CG1 4.49Å
710	E	94.4	Very high	94.1	Very high	12 Å²	12	41.3 Å²	41.3	6%	0.056	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-61.3	-25.6	176.8	72.8	-81.4	-170.6	0	0	112.9	V588 F589 R708 K769 R834	V588-E710 HydrophobicContact CG1-CB 3.76Å; F589-E710 HydrophobicContact CD1-CB 4.26Å; F589-E710 HydrophobicContact CD1-CG 4.1Å; F589-E710 HydrophobicContact CE1-CB 4.15Å; F589-E710 HydrophobicContact CE1-CG 3.98Å; R708-E710 VanDerWaalsContact CB-CD 3.5Å; R708-E710 WeakPolarHBondContact CB-OE1 3.04Å; R708-E710 WeakPolarHBondContact CB-OE2 3.47Å; R708-E710 WeakPolarHBondContact CD-OE1 3.43Å; R708-E710 IonicContact NE-OE1 2.72Å; R708-E710 PolarHBondContact O-N 3.19Å; E710-K769 VanDerWaalsContact CD-NZ 3.33Å; E710-K769 IonicContact OE1-NZ 2.81Å; E710-K769 PolarHBondContact OE1-NZ 2.7Å; E710-K769 IonicContact OE2-NZ 2.86Å; E710-R834 HydrophobicContact CB-CG 3.94Å; E710-R834 VanDerWaalsContact O-CZ 3.22Å; E710-R834 PolarHBondContact O-NE 3.41Å; E710-R834 PolarHBondContact O-NH2 3.13Å
711	E	94.3	Very high	94	Very high	38 Å²	38	43 Å²	43	18%	0.178	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-99.4	20.4	-178.4	-55.4	-172.6	122.3	0	0	113.7	R708 L709 E713 K714	R708-E711 HydrophobicContact CB-CG 4.24Å; R708-E711 IonicContact CZ-OE1 3.39Å; R708-E711 IonicContact CZ-OE2 3.55Å; R708-E711 VanDerWaalsContact NE-CD 3.3Å; R708-E711 IonicContact NE-OE1 3.74Å; R708-E711 IonicContact NE-OE2 2.72Å; R708-E711 PolarHBondContact NE-OE2 2.84Å; R708-E711 IonicContact NH2-OE1 2.61Å; R708-E711 PolarHBondContact NH2-OE1 3.14Å; R708-E711 IonicContact NH2-OE2 3.8Å; R708-E711 PolarHBondContact NH2-OE2 3.38Å; R708-E711 VanDerWaalsContact NH2-OE2 3.14Å; R708-E711 WeakPolarHBondContact O-CA 3.37Å; R708-E711 PolarHBondContact O-N 2.79Å; L709-E711 PolarHBondContact O-N 3.11Å; L709-E711 VanDerWaalsContact O-N 3.17Å; E711-E713 VanDerWaalsContact CA-OE2 3.23Å; E711-E713 WeakPolarHBondContact CA-OE2 3.41Å; E711-E713 PolarHBondContact O-N 2.84Å; E711-K714 HydrophobicContact CB-CD 4.15Å; E711-K714 WeakPolarHBondContact O-CB 3.44Å; E711-K714 WeakPolarHBondContact O-CG 3.43Å; E711-K714 PolarHBondContact O-N 2.7Å; E711-K714 VanDerWaalsContact O-N 3.12Å; E711-K714 IonicContact OE1-NZ 3.68Å; E711-K714 PolarHBondContact OE1-NZ 2.62Å; E711-K714 IonicContact OE2-NZ 3.61Å; E711-K714 PolarHBondContact OE2-NZ 3.13Å
712	M	93.8	Very high	93.8	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-24.8	-178.2	-178.4	-172.2	-95.6	0	0	113.2	C593 L709 K714 I715 F716 L748 I750 W801 V826 I830	C593-M712 HydrophobicContact CB-CE 4.39Å; L709-M712 HydrophobicContact CD1-CE 3.44Å; L709-M712 VanDerWaalsContact CD1-CE 3.44Å; L709-M712 HydrophobicContact CD1-SD 4.47Å; L709-M712 WeakPolarHBondContact O-CB 3.31Å; L709-M712 PolarHBondContact O-N 3.24Å; M712-K714 PolarHBondContact O-N 2.92Å; M712-K714 VanDerWaalsContact O-N 3.08Å; M712-I715 HydrophobicContact CG-CD1 4.34Å; M712-I715 WeakPolarHBondContact O-CB 3.45Å; M712-I715 PolarHBondContact O-N 3.22Å; M712-F716 HydrophobicContact CG-CE2 3.79Å; M712-F716 HydrophobicContact CG-CZ 4.17Å; M712-F716 HydrophobicContact SD-CE2 4.17Å; M712-F716 HydrophobicContact SD-CZ 4.11Å; M712-L748 HydrophobicContact CE-CD1 3.75Å; M712-L748 HydrophobicContact CE-CD2 3.54Å; M712-L748 HydrophobicContact CE-CG 4.33Å; M712-L748 HydrophobicContact CG-CD1 4.4Å; M712-I750 HydrophobicContact CE-CD1 4.18Å; M712-I750 HydrophobicContact CE-CG1 4.49Å; M712-W801 HydrophobicContact SD-CZ3 4.29Å; M712-V826 HydrophobicContact CE-CG1 4.23Å; M712-V826 HydrophobicContact SD-CG1 3.71Å; M712-I830 HydrophobicContact CB-CD1 4.11Å; M712-I830 HydrophobicContact CE-CD1 4.27Å; M712-I830 HydrophobicContact SD-CD1 3.68Å
713	E	93.3	Very high	93.6	Very high	71 Å²	71	43 Å²	43	33%	0.332	21%	0.206	S	C	.	.	H	α-helix	trans	-53.6	-31.7	176.9	66.4	-90.2	-149.4	0	0	113.3	E711 I715 F716 L827 R834	E711-E713 VanDerWaalsContact CA-OE2 3.23Å; E711-E713 WeakPolarHBondContact CA-OE2 3.41Å; E711-E713 PolarHBondContact O-N 2.84Å; E713-I715 PolarHBondContact O-N 2.73Å; E713-F716 PolarHBondContact O-N 3.38Å; E713-L827 HydrophobicContact CB-CD2 4.19Å; E713-R834 IonicContact OE1-CZ 2.73Å; E713-R834 IonicContact OE1-NH2 3.38Å; E713-R834 PolarHBondContact OE1-NH2 2.98Å; E713-R834 IonicContact OE2-NH2 3.68Å; E713-R834 PolarHBondContact OE2-NH2 3.09Å; E713-R834 VanDerWaalsContact OE2-NH2 3.09Å
714	K	93.9	Very high	93.3	Very high	91 Å²	91	42.9 Å²	42.9	40%	0.396	20%	0.204	S	C	.	.	H	α-helix	trans	-63.8	-23.3	179.4	-62.1	178.5	-173.1	173.4	0	113.4	Y707 E711 M712	Y707-K714 HydrophobicContact CD1-CB 4.07Å; Y707-K714 HydrophobicContact CE1-CB 3.81Å; E711-K714 HydrophobicContact CB-CD 4.15Å; E711-K714 WeakPolarHBondContact O-CB 3.44Å; E711-K714 WeakPolarHBondContact O-CG 3.43Å; E711-K714 PolarHBondContact O-N 2.7Å; E711-K714 VanDerWaalsContact O-N 3.12Å; E711-K714 IonicContact OE1-NZ 3.68Å; E711-K714 PolarHBondContact OE1-NZ 2.62Å; E711-K714 IonicContact OE2-NZ 3.61Å; E711-K714 PolarHBondContact OE2-NZ 3.13Å; M712-K714 PolarHBondContact O-N 2.92Å; M712-K714 VanDerWaalsContact O-N 3.08Å
715	I	94.3	Very high	92.9	Very high	0 Å²	0	49 Å²	49	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-70.7	-45.8	178.5	-68.4	174.1	0	0	0	110.5	V595 Y707 M712 E713 V717 R718 Y735 L748 W803	V595-I715 HydrophobicContact CG2-CB 4.49Å; V595-I715 HydrophobicContact CG2-CD1 4.21Å; V595-I715 HydrophobicContact CG2-CG1 4.36Å; V595-I715 HydrophobicContact CG2-CG2 3.4Å; Y707-I715 HydrophobicContact CD1-CG1 4.08Å; Y707-I715 HydrophobicContact CD2-CD1 3.64Å; Y707-I715 HydrophobicContact CD2-CG1 3.52Å; Y707-I715 HydrophobicContact CE1-CG1 4.16Å; Y707-I715 HydrophobicContact CE2-CD1 4.17Å; Y707-I715 HydrophobicContact CE2-CG1 3.61Å; Y707-I715 HydrophobicContact CG-CD1 3.91Å; Y707-I715 HydrophobicContact CG-CG1 3.76Å; M712-I715 HydrophobicContact CG-CD1 4.34Å; M712-I715 WeakPolarHBondContact O-CB 3.45Å; M712-I715 PolarHBondContact O-N 3.22Å; E713-I715 PolarHBondContact O-N 2.73Å; I715-V717 VanDerWaalsContact C-N 3.28Å; I715-V717 PolarHBondContact O-N 2.99Å; I715-R718 PolarHBondContact O-N 3.06Å; I715-Y735 HydrophobicContact CG2-CD2 4.42Å; I715-Y735 HydrophobicContact CG2-CE2 4.1Å; I715-L748 HydrophobicContact CD1-CD1 3.6Å; I715-W803 HydrophobicContact CG2-CH2 3.95Å
716	F	93.8	Very high	92.3	Very high	16 Å²	16	50.6 Å²	50.6	7%	0.07	26%	0.259	C	S	.	.	H	α-helix	trans	-69.8	-25.6	-174.6	-52.2	-78.4	0	0	0	112.8	M712 E713 R718 L719 W801 W803 V809 K823 L827	M712-F716 HydrophobicContact CG-CE2 3.79Å; M712-F716 HydrophobicContact CG-CZ 4.17Å; M712-F716 HydrophobicContact SD-CE2 4.17Å; M712-F716 HydrophobicContact SD-CZ 4.11Å; E713-F716 PolarHBondContact O-N 3.38Å; F716-R718 PolarHBondContact O-N 3.37Å; F716-R718 VanDerWaalsContact O-N 3.15Å; F716-L719 HydrophobicContact CB-CD1 4.48Å; F716-L719 HydrophobicContact CD1-CD1 3.79Å; F716-L719 PolarHBondContact O-N 2.65Å; F716-L719 VanDerWaalsContact O-N 3.17Å; F716-W801 AromaticContact CE1-CH2 3.9Å; F716-W801 HydrophobicContact CE1-CH2 3.9Å; F716-W801 HydrophobicContact CE1-CZ3 4Å; F716-W801 AromaticContact CZ-CH2 3.83Å; F716-W801 HydrophobicContact CZ-CH2 3.83Å; F716-W801 AromaticContact CZ-CZ3 3.74Å; F716-W801 HydrophobicContact CZ-CZ3 3.74Å; F716-W803 HydrophobicContact CE1-CZ2 4.12Å; F716-V809 HydrophobicContact CD1-CB 4.18Å; F716-V809 HydrophobicContact CE1-CB 4.04Å; F716-V809 HydrophobicContact CE1-CG1 4.04Å; F716-K823 HydrophobicContact CB-CD 4.15Å; F716-K823 HydrophobicContact CD1-CB 4.41Å; F716-K823 HydrophobicContact CD1-CD 3.7Å; F716-K823 HydrophobicContact CD1-CG 4.06Å; F716-K823 HydrophobicContact CD2-CD 4.19Å; F716-K823 HydrophobicContact CD2-CG 4.23Å; F716-K823 HydrophobicContact CE1-CB 3.96Å; F716-K823 HydrophobicContact CE1-CD 4.07Å; F716-K823 HydrophobicContact CE1-CG 3.91Å; F716-K823 HydrophobicContact CE2-CG 4.09Å; F716-K823 HydrophobicContact CG-CD 3.75Å; F716-K823 HydrophobicContact CG-CG 4.21Å; F716-K823 HydrophobicContact CZ-CB 4.17Å; F716-K823 HydrophobicContact CZ-CD 4.45Å; F716-K823 HydrophobicContact CZ-CG 3.92Å; F716-L827 HydrophobicContact CD2-CD1 4.17Å; F716-L827 HydrophobicContact CE2-CD1 3.98Å; F716-L827 HydrophobicContact CE2-CD2 3.93Å; F716-L827 HydrophobicContact CE2-CG 3.99Å
717	V	92	Very high	91.6	Very high	124 Å²	124	49.5 Å²	49.5	75%	0.752	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-19	172.3	-178.5	0	0	0	0	112.3	I715	I715-V717 VanDerWaalsContact C-N 3.28Å; I715-V717 PolarHBondContact O-N 2.99Å
718	R	92.8	Very high	90.9	Very high	51 Å²	51	54.6 Å²	54.6	19%	0.192	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	8.9	-178.5	-63.8	171.6	60.6	172.8	-11.1	113.3	E705 Y707 I715 F716 Y735 T736 G737	E705-R718 IonicContact OE1-NH1 2.68Å; E705-R718 PolarHBondContact OE1-NH1 3.19Å; E705-R718 IonicContact OE2-CZ 2.67Å; E705-R718 IonicContact OE2-NH1 2.84Å; E705-R718 PolarHBondContact OE2-NH1 3.45Å; E705-R718 IonicContact OE2-NH2 3.45Å; E705-R718 PolarHBondContact OE2-NH2 3.17Å; Y707-R718 PolarHBondContact OH-NH1 3.03Å; I715-R718 PolarHBondContact O-N 3.06Å; F716-R718 PolarHBondContact O-N 3.37Å; F716-R718 VanDerWaalsContact O-N 3.15Å; R718-Y735 HydrophobicContact CB-CD2 4.13Å; R718-Y735 HydrophobicContact CB-CE2 3.83Å; R718-Y735 VanDerWaalsContact CZ-OH 3.29Å; R718-Y735 PolarHBondContact NH2-OH 3.11Å; R718-Y735 WeakPolarHBondContact O-CA 3.38Å; R718-T736 PolarHBondContact NE-O 3.16Å; R718-T736 PolarHBondContact NH2-O 3.22Å; R718-T736 PolarHBondContact O-N 3.23Å; R718-G737 PolarHBondContact NH2-O 3.03Å; R718-G737 VanDerWaalsContact NH2-O 3.12Å
719	L	93.6	Very high	90.1	Very high	5 Å²	5	51.5 Å²	51.5	3%	0.026	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	125	172	-66.2	179.2	0	0	0	109.6	F716 L733 S734 Y735 P745 W803 V809 H810	F716-L719 HydrophobicContact CB-CD1 4.48Å; F716-L719 HydrophobicContact CD1-CD1 3.79Å; F716-L719 PolarHBondContact O-N 2.65Å; F716-L719 VanDerWaalsContact O-N 3.17Å; L719-L733 HydrophobicContact CB-CD1 3.97Å; L719-L733 HydrophobicContact CD1-CD1 4.35Å; L719-L733 HydrophobicContact CD2-CD1 4.38Å; L719-L733 HydrophobicContact CD2-CG 4.32Å; L719-L733 HydrophobicContact CG-CD1 4.47Å; L719-S734 WeakPolarHBondContact CA-O 3.43Å; L719-Y735 HydrophobicContact CD2-CD2 3.97Å; L719-Y735 HydrophobicContact CD2-CG 4.44Å; L719-P745 HydrophobicContact CD2-CG 4.18Å; L719-W803 HydrophobicContact CD1-CH2 4.11Å; L719-W803 HydrophobicContact CD1-CZ3 4.02Å; L719-W803 HydrophobicContact CD2-CZ3 3.92Å; L719-V809 HydrophobicContact CD1-CB 4.29Å; L719-V809 HydrophobicContact CD1-CG2 4.15Å; L719-H810 PolarHBondContact O-CD2 2.9Å; L719-H810 VanDerWaalsContact O-CD2 3.23Å
720	E	92.4	Very high	89.6	Confident	80 Å²	80	55.8 Å²	55.8	37%	0.374	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	147.8	-176.9	-64.7	171	139.2	0	0	109.4	K722 S734 T736	E720-K722 HydrophobicContact CB-CG 4.27Å; E720-K722 WeakPolarHBondContact OE2-CE 3.36Å; E720-K722 IonicContact OE2-NZ 3.22Å; E720-K722 PolarHBondContact OE2-NZ 3Å; E720-S734 PolarHBondContact N-O 3.44Å; E720-S734 WeakPolarHBondContact O-CB 3.23Å; E720-S734 PolarHBondContact O-N 3.21Å; E720-T736 PolarHBondContact OE2-OG1 3.05Å
721	M	91.4	Very high	89.3	Confident	64 Å²	64	58.1 Å²	58.1	32%	0.315	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	106.8	175.1	-64.8	-62	-65.6	0	0	109.7	P731 L733 Q813	M721-P731 HydrophobicContact CB-CB 4.02Å; M721-P731 HydrophobicContact CE-CB 4.19Å; M721-P731 WeakPolarHBondContact CE-O 3.28Å; M721-L733 HydrophobicContact SD-CB 4.2Å; M721-L733 HydrophobicContact SD-CD1 4.06Å; M721-Q813 HydrophobicContact SD-CG 4.5Å
722	K	90.9	Very high	89.1	Confident	29 Å²	29	61.4 Å²	61.4	13%	0.126	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	148.7	-173.4	-64.3	-168.3	168.8	166	0	113.1	E648 E720 I724 P731 K732 T736	E648-K722 HydrophobicContact CG-CB 4.21Å; E648-K722 HydrophobicContact CG-CD 4.43Å; E648-K722 WeakPolarHBondContact OE1-CD 3.39Å; E648-K722 VanDerWaalsContact OE1-CG 3.32Å; E648-K722 WeakPolarHBondContact OE1-CG 3.25Å; E648-K722 WeakPolarHBondContact OE2-CA 3.48Å; E720-K722 HydrophobicContact CB-CG 4.27Å; E720-K722 WeakPolarHBondContact OE2-CE 3.36Å; E720-K722 IonicContact OE2-NZ 3.22Å; E720-K722 PolarHBondContact OE2-NZ 3Å; K722-I724 PolarHBondContact O-N 3.02Å; K722-P731 CarbonylContact O-C 3.49Å; K722-P731 WeakPolarHBondContact O-CA 3.41Å; K722-K732 PolarHBondContact N-O 2.68Å; K722-K732 PolarHBondContact O-N 2.99Å; K722-T736 PolarHBondContact NZ-OG1 3.49Å
723	I	89.6	Confident	89	Confident	71 Å²	71	62.2 Å²	62.2	36%	0.364	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	109.5	177.8	-58.8	178.4	0	0	0	109.7	E648 G649 P731	E648-I723 PolarHBondContact OE2-N 2.71Å; G649-I723 PolarHBondContact N-O 3.22Å; I723-P731 HydrophobicContact CG1-CG 4.34Å
724	I	88.8	Confident	89	Confident	24 Å²	24	58.8 Å²	58.8	12%	0.123	34%	0.339	C	S	.	.			trans	-92.6	140.4	-177.3	-60.8	-173.2	0	0	0	110.8	L645 K722 G726 S727 K732 V744	L645-I724 HydrophobicContact CD1-CD1 3.87Å; L645-I724 HydrophobicContact CD1-CG1 4.14Å; L645-I724 HydrophobicContact CD1-CG2 4.09Å; K722-I724 PolarHBondContact O-N 3.02Å; I724-G726 PolarHBondContact O-N 3.37Å; I724-G726 VanDerWaalsContact O-N 3.09Å; I724-S727 WeakPolarHBondContact O-CB 3.39Å; I724-S727 PolarHBondContact O-N 2.94Å; I724-S727 PolarHBondContact O-OG 3.49Å; I724-K732 HydrophobicContact CD1-CB 3.81Å; I724-K732 HydrophobicContact CD1-CD 4.3Å; I724-K732 HydrophobicContact CD1-CG 4.47Å; I724-K732 HydrophobicContact CG1-CB 4.33Å; I724-V744 HydrophobicContact CD1-CG2 3.16Å
725	K	85.9	Confident	89	Confident	139 Å²	139	54.9 Å²	54.9	60%	0.604	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	116.6	177.9	-172.9	170.5	179.3	169.3	0	110.6	Q652	Q652-K725 HydrophobicContact CB-CB 4.4Å
726	G	81.1	Confident	88.9	Confident	75 Å²	75	56.2 Å²	56.2	77%	0.773	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.6	1.3	-177.8	0	0	0	0	0	115.6	I724 S728	I724-G726 PolarHBondContact O-N 3.37Å; I724-G726 VanDerWaalsContact O-N 3.09Å; G726-S728 PolarHBondContact O-N 2.89Å
727	S	80.1	Confident	88.3	Confident	18 Å²	18	56.4 Å²	56.4	13%	0.126	34%	0.336	C	S	.	.	S	Bend	trans	-81.4	14.6	176.8	72.7	0	0	0	0	115	I724 G729 T730	I724-S727 WeakPolarHBondContact O-CB 3.39Å; I724-S727 PolarHBondContact O-N 2.94Å; I724-S727 PolarHBondContact O-OG 3.49Å; S727-G729 PolarHBondContact O-N 3.39Å; S727-G729 VanDerWaalsContact O-N 3.11Å; S727-T730 VanDerWaalsContact CB-O 3.27Å; S727-T730 WeakPolarHBondContact CB-O 3.42Å; S727-T730 WeakPolarHBondContact O-CB 3.43Å; S727-T730 PolarHBondContact O-N 3.49Å; S727-T730 PolarHBondContact O-OG1 3.3Å; S727-T730 PolarHBondContact OG-O 3.03Å
728	S	81.9	Confident	87.5	Confident	126 Å²	126	59.6 Å²	59.6	88%	0.881	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	26.6	-173.3	-58.9	0	0	0	0	114.8	G726 T730	G726-S728 PolarHBondContact O-N 2.89Å; S728-T730 VanDerWaalsContact C-N 3.34Å
729	G	78.9	Confident	86.9	Confident	47 Å²	47	59.9 Å²	59.9	49%	0.485	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.2	-10.1	-178.2	0	0	0	0	0	114.6	S727 P731	S727-G729 PolarHBondContact O-N 3.39Å; S727-G729 VanDerWaalsContact O-N 3.11Å; G729-P731 WeakPolarHBondContact O-CD 3.42Å
730	T	84.3	Confident	86.4	Confident	91 Å²	91	64.3 Å²	64.3	56%	0.558	36%	0.364	S	S	*	.			trans	-69.1	122.8	175.9	-53.5	0	0	0	0	110.2	S727 S728	S727-T730 VanDerWaalsContact CB-O 3.27Å; S727-T730 WeakPolarHBondContact CB-O 3.42Å; S727-T730 WeakPolarHBondContact O-CB 3.43Å; S727-T730 PolarHBondContact O-N 3.49Å; S727-T730 PolarHBondContact O-OG1 3.3Å; S727-T730 PolarHBondContact OG-O 3.03Å; S728-T730 VanDerWaalsContact C-N 3.34Å
731	P	87.6	Confident	86.3	Confident	61 Å²	61	63.6 Å²	63.6	40%	0.396	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	142.9	173.9	-21.7	34.3	0	0	0	111.4	M721 K722 I723 G729	M721-P731 HydrophobicContact CB-CB 4.02Å; M721-P731 HydrophobicContact CE-CB 4.19Å; M721-P731 WeakPolarHBondContact CE-O 3.28Å; K722-P731 CarbonylContact O-C 3.49Å; K722-P731 WeakPolarHBondContact O-CA 3.41Å; I723-P731 HydrophobicContact CG1-CG 4.34Å; G729-P731 WeakPolarHBondContact O-CD 3.42Å
732	K	89.9	Confident	86.4	Confident	106 Å²	106	60.8 Å²	60.8	46%	0.461	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	146.8	173.6	-69.9	-163	172.6	-164.5	0	110.5	K722 I724 S734	K722-K732 PolarHBondContact N-O 2.68Å; K722-K732 PolarHBondContact O-N 2.99Å; I724-K732 HydrophobicContact CD1-CB 3.81Å; I724-K732 HydrophobicContact CD1-CD 4.3Å; I724-K732 HydrophobicContact CD1-CG 4.47Å; I724-K732 HydrophobicContact CG1-CB 4.33Å; K732-S734 PolarHBondContact O-N 2.98Å; K732-S734 PolarHBondContact O-OG 3.22Å
733	L	92.4	Very high	86.6	Confident	17 Å²	17	59.7 Å²	59.7	9%	0.089	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.2	130.4	170.5	-169.7	70.2	0	0	0	109.2	L719 M721 P745 W803 V809 H810	L719-L733 HydrophobicContact CB-CD1 3.97Å; L719-L733 HydrophobicContact CD1-CD1 4.35Å; L719-L733 HydrophobicContact CD2-CD1 4.38Å; L719-L733 HydrophobicContact CD2-CG 4.32Å; L719-L733 HydrophobicContact CG-CD1 4.47Å; M721-L733 HydrophobicContact SD-CB 4.2Å; M721-L733 HydrophobicContact SD-CD1 4.06Å; L733-P745 HydrophobicContact CD2-CG 3.96Å; L733-P745 HydrophobicContact CG-CG 4.12Å; L733-P745 WeakPolarHBondContact O-CD 3.41Å; L733-W803 HydrophobicContact CD2-CE3 4.25Å; L733-V809 HydrophobicContact CD2-CG2 3.55Å; L733-H810 HydrophobicContact CD1-CB 3.67Å
734	S	93.3	Very high	86.8	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	134.6	-177.9	-65.1	0	0	0	0	109.3	L719 E720 K732 F743	L719-S734 WeakPolarHBondContact CA-O 3.43Å; E720-S734 PolarHBondContact N-O 3.44Å; E720-S734 WeakPolarHBondContact O-CB 3.23Å; E720-S734 PolarHBondContact O-N 3.21Å; K732-S734 PolarHBondContact O-N 2.98Å; K732-S734 PolarHBondContact O-OG 3.22Å; S734-F743 CarbonylContact C-O 3.56Å; S734-F743 WeakPolarHBondContact CA-O 3.46Å
735	Y	94.5	Very high	87.1	Confident	9 Å²	9	58.3 Å²	58.3	4%	0.035	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	119.3	172.5	177.8	-94	0	0	0	109.2	V595 E705 Y707 I715 R718 L719 H742 F743	V595-Y735 HydrophobicContact CB-CD2 4.45Å; V595-Y735 HydrophobicContact CB-CG 4.43Å; V595-Y735 HydrophobicContact CG1-CD1 4.47Å; V595-Y735 HydrophobicContact CG1-CD2 4.3Å; V595-Y735 HydrophobicContact CG1-CG 4.07Å; V595-Y735 HydrophobicContact CG2-CD2 3.94Å; V595-Y735 HydrophobicContact CG2-CE2 3.81Å; V595-Y735 HydrophobicContact CG2-CG 4.41Å; E705-Y735 PolarHBondContact OE2-OH 3.35Å; Y707-Y735 WeakPolarHBondContact CE2-OH 3.31Å; Y707-Y735 PolarHBondContact OH-OH 2.88Å; I715-Y735 HydrophobicContact CG2-CD2 4.42Å; I715-Y735 HydrophobicContact CG2-CE2 4.1Å; R718-Y735 HydrophobicContact CB-CD2 4.13Å; R718-Y735 HydrophobicContact CB-CE2 3.83Å; R718-Y735 VanDerWaalsContact CZ-OH 3.29Å; R718-Y735 PolarHBondContact NH2-OH 3.11Å; R718-Y735 WeakPolarHBondContact O-CA 3.38Å; L719-Y735 HydrophobicContact CD2-CD2 3.97Å; L719-Y735 HydrophobicContact CD2-CG 4.44Å; Y735-H742 WeakPolarHBondContact O-CA 3.32Å; Y735-H742 WeakPolarHBondContact O-CB 3.38Å; Y735-F743 HydrophobicContact CD1-CD1 4.47Å; Y735-F743 AromaticContact CD1-CE1 3.57Å; Y735-F743 HydrophobicContact CD1-CE1 3.57Å; Y735-F743 AromaticContact CD1-CZ 3.59Å; Y735-F743 HydrophobicContact CD1-CZ 3.59Å; Y735-F743 HydrophobicContact CE1-CE1 4.27Å; Y735-F743 HydrophobicContact CE1-CZ 4.36Å; Y735-F743 HydrophobicContact CG-CZ 4.24Å; Y735-F743 PolarHBondContact N-O 2.73Å; Y735-F743 PolarHBondContact O-N 3.46Å; Y735-F743 VanDerWaalsContact O-N 3.09Å
736	T	91.7	Very high	87.5	Confident	27 Å²	27	55.5 Å²	55.5	17%	0.166	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	133.1	-179.6	-63.7	0	0	0	0	110.9	R718 E720 K722	R718-T736 PolarHBondContact NE-O 3.16Å; R718-T736 PolarHBondContact NH2-O 3.22Å; R718-T736 PolarHBondContact O-N 3.23Å; E720-T736 PolarHBondContact OE2-OG1 3.05Å; K722-T736 PolarHBondContact NZ-OG1 3.49Å
737	G	81.9	Confident	88.2	Confident	20 Å²	20	51.9 Å²	51.9	21%	0.206	29%	0.288	C	S	.	.			trans	-70.6	-166.6	-179.6	0	0	0	0	0	113.7	R718 D739 R741	R718-G737 PolarHBondContact NH2-O 3.03Å; R718-G737 VanDerWaalsContact NH2-O 3.12Å; G737-D739 CarbonylContact C-O 3.53Å; G737-R741 PolarHBondContact N-O 3.44Å
738	R	74.7	Confident	89	Confident	191 Å²	191	51 Å²	51	72%	0.721	28%	0.282	S	S	*	.	S	Bend	trans	-81.8	-20.6	168.8	-70.2	-173.1	-179	167.2	3.8	112.1	E705	E705-R738 IonicContact OE1-CZ 2.71Å; E705-R738 VanDerWaalsContact OE1-CZ 3.22Å; E705-R738 IonicContact OE1-NE 3.48Å; E705-R738 PolarHBondContact OE1-NE 2.68Å; E705-R738 IonicContact OE1-NH2 3.62Å; E705-R738 PolarHBondContact OE1-NH2 3.12Å; E705-R738 IonicContact OE2-NE 2.81Å
739	D	79.1	Confident	89.7	Confident	57 Å²	57	45.7 Å²	45.7	31%	0.305	24%	0.242	S	C	.	.	S	Bend	trans	-97.4	179.9	167.4	56.5	-3.5	0	0	0	110.5	R702 G737 R741	R702-D739 IonicContact CZ-OD2 2.78Å; R702-D739 IonicContact NH2-OD2 3.12Å; R702-D739 PolarHBondContact NH2-OD2 2.9Å; G737-D739 CarbonylContact C-O 3.53Å; D739-R741 PolarHBondContact O-N 3.26Å; D739-R741 WeakPolarHBondContact OD2-CD 3.44Å; D739-R741 IonicContact OD2-NE 3.56Å
740	D	83.7	Confident	90.6	Very high	99 Å²	99	43.5 Å²	43.5	53%	0.529	22%	0.22	S	C	.	.	S	Bend	trans	-75.4	23.2	-179.5	68.7	-11.1	0	0	0	114.4	K646	K646-D740 WeakPolarHBondContact CD-OD1 3.34Å; K646-D740 VanDerWaalsContact CE-CG 3.48Å; K646-D740 WeakPolarHBondContact CE-OD1 3.45Å; K646-D740 WeakPolarHBondContact CE-OD2 3.47Å; K646-D740 IonicContact NZ-OD1 2.58Å; K646-D740 PolarHBondContact NZ-OD1 2.97Å; K646-D740 IonicContact NZ-OD2 3.92Å; K646-D740 PolarHBondContact NZ-OD2 3.21Å
741	R	91.3	Very high	91.1	Very high	64 Å²	64	39.4 Å²	39.4	24%	0.242	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	149.7	177.9	-55.4	-174.3	-177.6	-162.8	-1.1	110.5	E644 L645 G737 D739	E644-R741 HydrophobicContact CB-CB 4.47Å; E644-R741 WeakPolarHBondContact OE2-CD 3.43Å; E644-R741 IonicContact OE2-CZ 3.59Å; E644-R741 IonicContact OE2-NE 2.66Å; E644-R741 IonicContact OE2-NH1 3.44Å; E644-R741 PolarHBondContact OE2-NH1 3.04Å; L645-R741 CarbonylContact O-C 3.59Å; L645-R741 VanDerWaalsContact O-CA 3.27Å; L645-R741 WeakPolarHBondContact O-CA 3.31Å; G737-R741 PolarHBondContact N-O 3.44Å; D739-R741 PolarHBondContact O-N 3.26Å; D739-R741 WeakPolarHBondContact OD2-CD 3.44Å; D739-R741 IonicContact OD2-NE 3.56Å
742	H	93.8	Very high	91.5	Very high	5 Å²	5	38.3 Å²	38.3	2%	0.023	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	163.7	175.8	59	-79.1	0	0	0	110.6	L645 G647 Q652 Y735	L645-H742 WeakPolarHBondContact CB-O 3.28Å; L645-H742 PolarHBondContact N-O 3.35Å; L645-H742 PolarHBondContact O-N 3.24Å; L645-H742 PolarHBondContact O-ND1 3.07Å; L645-H742 VanDerWaalsContact O-ND1 3.15Å; G647-H742 PolarHBondContact O-CE1 3.39Å; Q652-H742 PolarHBondContact NE2-NE2 3.07Å; Y735-H742 WeakPolarHBondContact O-CA 3.32Å; Y735-H742 WeakPolarHBondContact O-CB 3.38Å
743	F	94.7	Very high	91.8	Very high	7 Å²	7	33.2 Å²	33.2	3%	0.031	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	161	169.7	62.6	-92	0	0	0	110.1	V595 V642 H659 K704 S734 Y735 P745	V595-F743 HydrophobicContact CB-CZ 4.41Å; V595-F743 HydrophobicContact CG1-CE2 4.07Å; V595-F743 HydrophobicContact CG1-CZ 4.05Å; V642-F743 HydrophobicContact CG1-CB 3.51Å; V642-F743 HydrophobicContact CG1-CD1 4.05Å; V642-F743 HydrophobicContact CG1-CD2 4.03Å; V642-F743 HydrophobicContact CG1-CG 3.6Å; H659-F743 AromaticContact CE1-CD1 3.77Å; H659-F743 AromaticContact CE1-CE1 3.72Å; K704-F743 VanDerWaalsContact NZ-CZ 3.26Å; S734-F743 CarbonylContact C-O 3.56Å; S734-F743 WeakPolarHBondContact CA-O 3.46Å; Y735-F743 HydrophobicContact CD1-CD1 4.47Å; Y735-F743 AromaticContact CD1-CE1 3.57Å; Y735-F743 HydrophobicContact CD1-CE1 3.57Å; Y735-F743 AromaticContact CD1-CZ 3.59Å; Y735-F743 HydrophobicContact CD1-CZ 3.59Å; Y735-F743 HydrophobicContact CE1-CE1 4.27Å; Y735-F743 HydrophobicContact CE1-CZ 4.36Å; Y735-F743 HydrophobicContact CG-CZ 4.24Å; Y735-F743 PolarHBondContact N-O 2.73Å; Y735-F743 PolarHBondContact O-N 3.46Å; Y735-F743 VanDerWaalsContact O-N 3.09Å; F743-P745 HydrophobicContact CE2-CB 4.32Å; F743-P745 WeakPolarHBondContact O-CD 3.43Å
744	V	93.9	Very high	91.8	Very high	59 Å²	59	32.5 Å²	32.5	36%	0.358	16%	0.156	S	C	.	.			trans	-77.4	116	173	-178.4	0	0	0	0	108.2	I724	I724-V744 HydrophobicContact CD1-CG2 3.16Å
745	P	95.1	Very high	91.9	Very high	7 Å²	7	34.8 Å²	34.8	5%	0.045	17%	0.169	C	C	.	.			trans	-75.1	142.1	177.7	32.9	-34	0	0	0	110.4	V595 S596 L719 L733 F743 W803	V595-P745 HydrophobicContact CG1-CB 3.6Å; S596-P745 CarbonylContact O-C 3.55Å; S596-P745 WeakPolarHBondContact O-CA 3.37Å; L719-P745 HydrophobicContact CD2-CG 4.18Å; L733-P745 HydrophobicContact CD2-CG 3.96Å; L733-P745 HydrophobicContact CG-CG 4.12Å; L733-P745 WeakPolarHBondContact O-CD 3.41Å; F743-P745 HydrophobicContact CE2-CB 4.32Å; F743-P745 WeakPolarHBondContact O-CD 3.43Å; P745-W803 HydrophobicContact CB-CE3 3.78Å; P745-W803 HydrophobicContact CB-CZ3 3.85Å; P745-W803 HydrophobicContact CG-CE3 3.84Å; P745-W803 HydrophobicContact CG-CZ3 3.99Å
746	M	94.7	Very high	91.7	Very high	79 Å²	79	38.6 Å²	38.6	39%	0.389	19%	0.187	S	C	.	.			trans	-93.3	-16.4	169.7	-73	-176.2	62.1	0	0	112.4	S596 S598 F800 W803	S596-M746 PolarHBondContact O-N 2.68Å; S598-M746 VanDerWaalsContact CA-SD 3.56Å; M746-F800 HydrophobicContact CB-CZ 4.42Å; M746-W803 PolarHBondContact O-N 2.96Å
747	G	95.3	Very high	91.8	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	156.1	-160.8	-172.8	0	0	0	0	0	112.4	S596 W801	S596-G747 PolarHBondContact N-O 2.64Å; G747-W801 CarbonylContact C-O 3.6Å; G747-W801 WeakPolarHBondContact CA-O 3.44Å
748	L	95.4	Very high	92.5	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	127.7	-175	176.1	153.1	0	0	0	110.4	C593 M594 M712 I715 I750 W801 W803	C593-L748 HydrophobicContact CB-CD1 4.29Å; C593-L748 HydrophobicContact CB-CD2 3.74Å; C593-L748 HydrophobicContact CB-CG 4.13Å; M594-L748 WeakPolarHBondContact O-CA 3.28Å; M712-L748 HydrophobicContact CE-CD1 3.75Å; M712-L748 HydrophobicContact CE-CD2 3.54Å; M712-L748 HydrophobicContact CE-CG 4.33Å; M712-L748 HydrophobicContact CG-CD1 4.4Å; I715-L748 HydrophobicContact CD1-CD1 3.6Å; L748-I750 HydrophobicContact CD2-CD1 4.09Å; L748-I750 HydrophobicContact CD2-CG1 3.4Å; L748-I750 VanDerWaalsContact CD2-CG1 3.4Å; L748-W801 HydrophobicContact CB-CE3 4.38Å; L748-W801 HydrophobicContact CD2-CE3 4.47Å; L748-W801 PolarHBondContact N-O 3.25Å; L748-W801 PolarHBondContact O-N 3.31Å; L748-W803 HydrophobicContact CB-CH2 4.38Å; L748-W803 HydrophobicContact CB-CZ2 3.82Å; L748-W803 HydrophobicContact CD1-CH2 4.39Å; L748-W803 HydrophobicContact CD1-CZ2 3.99Å
749	Y	97.1	Very high	93.4	Very high	13 Å²	13	29.8 Å²	29.8	5%	0.051	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	138.5	169.8	-71.9	-69.8	0	0	0	110.2	P574 C593 M594 L661 L799 F800	P574-Y749 HydrophobicContact CB-CE1 4.17Å; P574-Y749 HydrophobicContact CG-CE1 4.21Å; C593-Y749 WeakPolarHBondContact CA-O 3.32Å; C593-Y749 WeakPolarHBondContact CB-O 3.34Å; M594-Y749 HydrophobicContact CE-CD2 4.33Å; M594-Y749 HydrophobicContact CE-CG 4.31Å; M594-Y749 PolarHBondContact N-O 3.36Å; M594-Y749 PolarHBondContact O-N 2.87Å; L661-Y749 HydrophobicContact CD1-CE2 4.37Å; L661-Y749 HydrophobicContact CD2-CD2 4.16Å; L661-Y749 HydrophobicContact CD2-CE2 4.38Å; Y749-L799 WeakPolarHBondContact CA-O 3.46Å; Y749-F800 HydrophobicContact CD1-CB 4.11Å; Y749-F800 AromaticContact CD1-CD2 3.61Å; Y749-F800 HydrophobicContact CD1-CD2 3.61Å; Y749-F800 HydrophobicContact CD1-CG 4.31Å; Y749-F800 HydrophobicContact CD2-CD2 4.33Å; Y749-F800 HydrophobicContact CE1-CB 4.05Å; Y749-F800 AromaticContact CE1-CD2 3.47Å; Y749-F800 HydrophobicContact CE1-CD2 3.47Å; Y749-F800 VanDerWaalsContact CE1-CD2 3.47Å; Y749-F800 HydrophobicContact CE1-CE2 4.22Å; Y749-F800 HydrophobicContact CE1-CG 4.05Å; Y749-F800 HydrophobicContact CE2-CD2 4.23Å; Y749-F800 HydrophobicContact CE2-CE2 4.26Å; Y749-F800 HydrophobicContact CG-CD2 4.03Å; Y749-F800 AromaticContact CZ-CD2 3.8Å
750	I	97.4	Very high	94.1	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	123.2	168.1	-51	178.1	0	0	0	107.8	L577 I585 Y591 R592 C593 L709 M712 L748 R798 L799	L577-I750 HydrophobicContact CD1-CD1 4.4Å; L577-I750 HydrophobicContact CD2-CD1 4.03Å; I585-I750 HydrophobicContact CD1-CD1 3.83Å; I585-I750 HydrophobicContact CD1-CG2 4.47Å; Y591-I750 HydrophobicContact CD1-CG2 3.8Å; Y591-I750 HydrophobicContact CG-CG2 4.23Å; R592-I750 CarbonylContact O-C 3.4Å; R592-I750 WeakPolarHBondContact O-CA 3.03Å; C593-I750 HydrophobicContact CB-CG1 4.39Å; L709-I750 HydrophobicContact CD1-CD1 4.15Å; L709-I750 HydrophobicContact CD1-CG1 4.38Å; L709-I750 HydrophobicContact CD1-CG2 4.15Å; L709-I750 HydrophobicContact CD2-CG2 3.95Å; M712-I750 HydrophobicContact CE-CD1 4.18Å; M712-I750 HydrophobicContact CE-CG1 4.49Å; L748-I750 HydrophobicContact CD2-CD1 4.09Å; L748-I750 HydrophobicContact CD2-CG1 3.4Å; L748-I750 VanDerWaalsContact CD2-CG1 3.4Å; I750-R798 WeakPolarHBondContact O-CA 3.48Å; I750-L799 HydrophobicContact CB-CB 4.25Å; I750-L799 PolarHBondContact N-O 3.2Å; I750-L799 PolarHBondContact O-N 2.92Å
751	V	96.4	Very high	94.5	Very high	5 Å²	5	24.1 Å²	24.1	3%	0.03	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	129.5	-173.6	178.6	0	0	0	0	109.2	Y591 R592 M594 F676 C794 R798	Y591-V751 CarbonylContact C-O 3.56Å; Y591-V751 VanDerWaalsContact CA-O 3.31Å; Y591-V751 WeakPolarHBondContact CA-O 3.43Å; R592-V751 PolarHBondContact N-O 3.42Å; R592-V751 PolarHBondContact O-N 3.38Å; M594-V751 HydrophobicContact CE-CG2 3.88Å; F676-V751 HydrophobicContact CD2-CG1 4.28Å; F676-V751 HydrophobicContact CE2-CG1 4.23Å; V751-C794 HydrophobicContact CG1-CB 3.73Å; V751-R798 HydrophobicContact CG2-CB 4.19Å
752	R	95.5	Very high	94.5	Very high	38 Å²	38	24.8 Å²	24.8	14%	0.143	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	133.9	170.4	-159.8	-179.9	-177.6	-174	-4.2	109.6	D590 Y591 V754 E756 C794	D590-R752 HydrophobicContact CB-CG 4.13Å; D590-R752 IonicContact OD2-CZ 2.62Å; D590-R752 IonicContact OD2-NE 2.73Å; D590-R752 PolarHBondContact OD2-NE 2.73Å; D590-R752 IonicContact OD2-NH2 3.22Å; D590-R752 PolarHBondContact OD2-NH2 2.82Å; Y591-R752 HydrophobicContact CD1-CB 3.85Å; Y591-R752 HydrophobicContact CD1-CG 4.17Å; Y591-R752 HydrophobicContact CE1-CB 3.58Å; Y591-R752 HydrophobicContact CE1-CG 3.82Å; Y591-R752 HydrophobicContact CE2-CG 4.3Å; R752-V754 WeakPolarHBondContact CD-O 3.09Å; R752-V754 PolarHBondContact NE-O 3.13Å; R752-V754 VanDerWaalsContact NE-O 3.15Å; R752-E756 IonicContact CZ-OE1 3.29Å; R752-E756 IonicContact NH1-OE1 2.69Å; R752-E756 PolarHBondContact NH1-OE1 2.87Å; R752-E756 IonicContact NH2-OE1 3.02Å; R752-E756 PolarHBondContact NH2-OE1 3.01Å; R752-C794 PolarHBondContact O-SG 3.46Å
753	T	95.1	Very high	94.4	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.133	C	C	.	.			trans	-115.2	-5.5	-177.6	67	0	0	0	0	113.8	D590 R592 H675 F676 A789	D590-T753 PolarHBondContact O-N 3.06Å; D590-T753 PolarHBondContact O-OG1 3.19Å; R592-T753 HydrophobicContact CB-CG2 4.2Å; R592-T753 HydrophobicContact CG-CG2 3.52Å; H675-T753 PolarHBondContact NE2-O 3.32Å; F676-T753 HydrophobicContact CB-CG2 3.56Å; F676-T753 HydrophobicContact CD1-CG2 3.5Å; F676-T753 VanDerWaalsContact CD1-CG2 3.5Å; F676-T753 HydrophobicContact CE1-CG2 4.39Å; F676-T753 HydrophobicContact CG-CG2 3.7Å; T753-A789 VanDerWaalsContact O-CB 3.31Å; T753-A789 WeakPolarHBondContact O-CB 3.45Å; T753-A789 PolarHBondContact O-N 3.25Å
754	V	94.2	Very high	94.2	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.006	16%	0.162	C	C	.	.	B	Isolated β-bridge	trans	-113.8	132.3	177.9	-174.4	0	0	0	0	109.1	D590 R752 W758 M760 F771 S787	D590-V754 HydrophobicContact CB-CB 4.09Å; D590-V754 HydrophobicContact CB-CG2 4.12Å; R752-V754 WeakPolarHBondContact CD-O 3.09Å; R752-V754 PolarHBondContact NE-O 3.13Å; R752-V754 VanDerWaalsContact NE-O 3.15Å; V754-W758 HydrophobicContact CG1-CB 3.92Å; V754-M760 HydrophobicContact CG2-CG 3.95Å; V754-M760 HydrophobicContact CG2-SD 3.93Å; V754-F771 HydrophobicContact CG2-CE1 4.28Å; V754-S787 CarbonylContact C-O 3.56Å; V754-S787 WeakPolarHBondContact CA-O 3.36Å
755	N	93.8	Very high	94.1	Very high	48 Å²	48	34.7 Å²	34.7	26%	0.257	18%	0.182	S	C	.	.			trans	-89.2	149.8	-177.4	-164.9	21.2	0	0	0	112.1	W758 S787 I788	N755-W758 WeakPolarHBondContact O-CA 3.34Å; N755-W758 WeakPolarHBondContact O-CB 3.47Å; N755-W758 PolarHBondContact O-N 3.14Å; N755-S787 PolarHBondContact N-O 3.21Å; N755-I788 WeakPolarHBondContact CB-O 3.31Å
756	E	91.1	Very high	93.9	Very high	89 Å²	89	41.5 Å²	41.5	42%	0.416	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	142.1	173.2	-72.7	-66.9	150	0	0	110.8	R752 K774	R752-E756 IonicContact CZ-OE1 3.29Å; R752-E756 IonicContact NH1-OE1 2.69Å; R752-E756 PolarHBondContact NH1-OE1 2.87Å; R752-E756 IonicContact NH2-OE1 3.02Å; R752-E756 PolarHBondContact NH2-OE1 3.01Å; E756-K774 IonicContact OE1-NZ 2.74Å; E756-K774 PolarHBondContact OE1-NZ 3.07Å; E756-K774 WeakPolarHBondContact OE2-CE 3.33Å; E756-K774 IonicContact OE2-NZ 2.75Å; E756-K774 PolarHBondContact OE2-NZ 3.13Å
757	P	94.4	Very high	93.8	Very high	21 Å²	21	46 Å²	46	14%	0.136	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	cis	-89.9	7.8	9.3	38.6	-39.5	0	0	0	114.8	N773 K774 K775	P757-N773 WeakPolarHBondContact CG-OD1 3.35Å; P757-K774 WeakPolarHBondContact O-CB 3.31Å; P757-K774 WeakPolarHBondContact O-CE 3.33Å; P757-K774 WeakPolarHBondContact O-CG 3.08Å; P757-K774 PolarHBondContact O-N 3.13Å; P757-K775 HydrophobicContact CB-CB 4.23Å; P757-K775 HydrophobicContact CB-CD 3.82Å; P757-K775 HydrophobicContact CB-CG 3.69Å; P757-K775 HydrophobicContact CG-CB 4.36Å; P757-K775 HydrophobicContact CG-CD 4.03Å; P757-K775 HydrophobicContact CG-CG 4.19Å
758	W	95.3	Very high	93.7	Very high	18 Å²	18	51 Å²	51	7%	0.068	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	158	-177.9	-68.4	94.3	0	0	0	112.5	V754 N755 F771 Y772 N773 T780 P784 D786	V754-W758 HydrophobicContact CG1-CB 3.92Å; N755-W758 WeakPolarHBondContact O-CA 3.34Å; N755-W758 WeakPolarHBondContact O-CB 3.47Å; N755-W758 PolarHBondContact O-N 3.14Å; W758-F771 HydrophobicContact CE3-CB 3.81Å; W758-F771 HydrophobicContact CZ3-CB 4.03Å; W758-Y772 CarbonylContact C-O 3.58Å; W758-Y772 WeakPolarHBondContact CA-O 3.39Å; W758-N773 HydrophobicContact CD2-CB 3.9Å; W758-N773 VanDerWaalsContact CE2-ND2 3.33Å; W758-N773 HydrophobicContact CE3-CB 3.76Å; W758-N773 HydrophobicContact CH2-CB 3.79Å; W758-N773 HydrophobicContact CZ2-CB 3.9Å; W758-N773 WeakPolarHBondContact CZ2-ND2 3.44Å; W758-N773 HydrophobicContact CZ3-CB 3.71Å; W758-N773 PolarHBondContact NE1-ND2 2.74Å; W758-T780 HydrophobicContact CH2-CG2 4.32Å; W758-T780 HydrophobicContact CZ3-CG2 4.22Å; W758-P784 HydrophobicContact CD2-CB 4.22Å; W758-P784 HydrophobicContact CD2-CG 3.89Å; W758-P784 HydrophobicContact CE3-CG 3.74Å; W758-P784 HydrophobicContact CH2-CB 4.02Å; W758-P784 HydrophobicContact CH2-CG 3.63Å; W758-P784 HydrophobicContact CZ2-CB 3.68Å; W758-P784 HydrophobicContact CZ2-CG 3.79Å; W758-P784 HydrophobicContact CZ3-CB 4.43Å; W758-P784 HydrophobicContact CZ3-CG 3.61Å; W758-D786 PolarHBondContact NE1-OD1 2.9Å; W758-D786 PolarHBondContact NE1-OD2 3.43Å
759	T	94.4	Very high	93.5	Very high	15 Å²	15	53.2 Å²	53.2	9%	0.092	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	153.4	177.7	-151.3	0	0	0	0	110.6	P587 D590 F771 Y772 K774	P587-T759 WeakPolarHBondContact CD-OG1 3.25Å; P587-T759 HydrophobicContact CG-CG2 4.43Å; P587-T759 WeakPolarHBondContact CG-OG1 3.42Å; D590-T759 WeakPolarHBondContact OD1-CA 3.5Å; D590-T759 PolarHBondContact OD1-OG1 2.87Å; D590-T759 PolarHBondContact OD2-OG1 2.91Å; T759-F771 CarbonylContact O-C 3.55Å; T759-F771 WeakPolarHBondContact O-CA 3.45Å; T759-Y772 HydrophobicContact CG2-CD1 4.25Å; T759-Y772 PolarHBondContact N-O 3.25Å; T759-Y772 PolarHBondContact O-N 2.73Å; T759-K774 HydrophobicContact CG2-CD 4.17Å; T759-K774 HydrophobicContact CG2-CG 4.14Å
760	M	93.8	Very high	93.4	Very high	17 Å²	17	54.7 Å²	54.7	8%	0.084	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	130.1	-178.1	-72.3	-177.6	78	0	0	112.3	P587 F589 D590 V754 K769 F770 F771	P587-M760 VanDerWaalsContact CG-O 3.27Å; P587-M760 WeakPolarHBondContact CG-O 3.32Å; F589-M760 HydrophobicContact CB-CB 3.64Å; D590-M760 WeakPolarHBondContact OD1-CB 3.5Å; D590-M760 PolarHBondContact OD1-N 3.34Å; V754-M760 HydrophobicContact CG2-CG 3.95Å; V754-M760 HydrophobicContact CG2-SD 3.93Å; M760-K769 HydrophobicContact CE-CB 4.04Å; M760-K769 HydrophobicContact CE-CD 3.81Å; M760-F770 CarbonylContact C-O 3.6Å; M760-F770 WeakPolarHBondContact CA-O 3.26Å; M760-F771 HydrophobicContact CE-CE1 4.42Å; M760-F771 HydrophobicContact CE-CZ 4.16Å; M760-F771 HydrophobicContact CG-CD1 3.73Å; M760-F771 HydrophobicContact CG-CE1 3.54Å; M760-F771 HydrophobicContact CG-CZ 4.19Å; M760-F771 HydrophobicContact SD-CE1 3.86Å; M760-F771 HydrophobicContact SD-CZ 4.1Å
761	G	91.7	Very high	93.3	Very high	19 Å²	19	55.7 Å²	55.7	20%	0.196	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	174.3	169.8	0	0	0	0	0	112.5	K769 F770	G761-K769 CarbonylContact O-C 3.57Å; G761-K769 VanDerWaalsContact O-CA 3.25Å; G761-K769 WeakPolarHBondContact O-CA 3.29Å; G761-F770 PolarHBondContact N-O 2.74Å; G761-F770 WeakPolarHBondContact O-CD1 3.02Å; G761-F770 PolarHBondContact O-N 2.72Å
762	F	91.7	Very high	93.3	Very high	78 Å²	78	59.1 Å²	59.1	34%	0.342	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	122.2	171.2	-176	-97.7	0	0	0	110.8	F589 K764 K767 K769	F589-F762 HydrophobicContact CE2-CB 3.65Å; F589-F762 HydrophobicContact CZ-CB 3.99Å; F762-K764 HydrophobicContact CD1-CG 4.47Å; F762-K764 PolarHBondContact O-N 3.15Å; F762-K767 WeakPolarHBondContact CE2-O 3.33Å; F762-K767 VanDerWaalsContact CZ-C 3.47Å; F762-K767 HydrophobicContact CZ-CB 4.26Å; F762-K769 HydrophobicContact CD2-CG 3.91Å
763	S	91.6	Very high	93.3	Very high	22 Å²	22	57.7 Å²	57.7	15%	0.154	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	115.2	176.2	-177.6	0	0	0	0	110	S765 F766 K767 K768	S763-S765 VanDerWaalsContact C-N 3.33Å; S763-S765 PolarHBondContact O-N 3.4Å; S763-F766 WeakPolarHBondContact OG-CD2 3.22Å; S763-F766 PolarHBondContact OG-N 3.04Å; S763-K767 WeakPolarHBondContact O-CA 3.48Å; S763-K767 PolarHBondContact O-N 3.34Å; S763-K768 WeakPolarHBondContact CB-O 3.32Å; S763-K768 PolarHBondContact N-O 3.03Å; S763-K768 PolarHBondContact O-N 2.82Å
764	K	89.9	Confident	93.2	Very high	145 Å²	145	62.1 Å²	62.1	63%	0.63	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-36.5	176.2	-67.5	175.2	-175.9	168.6	0	112	F762 A835	F762-K764 HydrophobicContact CD1-CG 4.47Å; F762-K764 PolarHBondContact O-N 3.15Å; K764-A835 VanDerWaalsContact CE-OXT 3.31Å; K764-A835 WeakPolarHBondContact CE-OXT 3.19Å; K764-A835 PolarHBondContact NZ-OXT 3.41Å
765	S	92.6	Very high	93.2	Very high	112 Å²	112	70 Å²	70	78%	0.783	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-45.3	179.7	-45	0	0	0	0	112.8	S763	S763-S765 VanDerWaalsContact C-N 3.33Å; S763-S765 PolarHBondContact O-N 3.4Å
766	F	91.3	Very high	93.3	Very high	150 Å²	150	71.5 Å²	71.5	66%	0.658	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-4.4	-179.6	-66.7	-79.9	0	0	0	113.8	S763 K768 F781	S763-F766 WeakPolarHBondContact OG-CD2 3.22Å; S763-F766 PolarHBondContact OG-N 3.04Å; F766-K768 HydrophobicContact CB-CB 4.45Å; F766-K768 PolarHBondContact O-N 2.95Å; F766-K768 VanDerWaalsContact O-N 3.08Å; F766-F781 HydrophobicContact CB-CE1 4.28Å; F766-F781 HydrophobicContact CB-CZ 3.95Å; F766-F781 HydrophobicContact CD2-CE2 4.29Å; F766-F781 AromaticContact CD2-CZ 3.71Å; F766-F781 HydrophobicContact CD2-CZ 3.71Å; F766-F781 HydrophobicContact CE2-CZ 4.41Å; F766-F781 HydrophobicContact CG-CE2 4.48Å; F766-F781 AromaticContact CG-CZ 3.89Å; F766-F781 HydrophobicContact CG-CZ 3.89Å
767	K	91.9	Very high	93.5	Very high	175 Å²	175	74.7 Å²	74.7	76%	0.761	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.4	30.2	-173.9	-59.3	-179.7	-179.2	176.8	0	113.9	F762 S763	F762-K767 WeakPolarHBondContact CE2-O 3.33Å; F762-K767 VanDerWaalsContact CZ-C 3.47Å; F762-K767 HydrophobicContact CZ-CB 4.26Å; S763-K767 WeakPolarHBondContact O-CA 3.48Å; S763-K767 PolarHBondContact O-N 3.34Å
768	K	92.7	Very high	93.4	Very high	103 Å²	103	78.2 Å²	78.2	45%	0.448	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	144.9	-173.6	-170.3	-179	171	-175.5	0	110.4	S763 F766 F781	S763-K768 WeakPolarHBondContact CB-O 3.32Å; S763-K768 PolarHBondContact N-O 3.03Å; S763-K768 PolarHBondContact O-N 2.82Å; F766-K768 HydrophobicContact CB-CB 4.45Å; F766-K768 PolarHBondContact O-N 2.95Å; F766-K768 VanDerWaalsContact O-N 3.08Å; K768-F781 HydrophobicContact CB-CD1 4.17Å; K768-F781 HydrophobicContact CB-CE1 4Å; K768-F781 HydrophobicContact CD-CB 4.34Å; K768-F781 HydrophobicContact CD-CD1 3.68Å; K768-F781 HydrophobicContact CD-CE1 4.29Å; K768-F781 HydrophobicContact CD-CG 4.21Å; K768-F781 HydrophobicContact CG-CD1 3.93Å; K768-F781 HydrophobicContact CG-CE1 4.29Å
769	K	92.3	Very high	93.4	Very high	48 Å²	48	81 Å²	81	21%	0.209	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	146.2	170.8	-65.5	-172.3	-176.3	-171.1	0	111.1	F589 E710 M760 G761 F762 F781	F589-K769 HydrophobicContact CD1-CD 4.33Å; F589-K769 HydrophobicContact CG-CD 4.34Å; E710-K769 VanDerWaalsContact CD-NZ 3.33Å; E710-K769 IonicContact OE1-NZ 2.81Å; E710-K769 PolarHBondContact OE1-NZ 2.7Å; E710-K769 IonicContact OE2-NZ 2.86Å; M760-K769 HydrophobicContact CE-CB 4.04Å; M760-K769 HydrophobicContact CE-CD 3.81Å; G761-K769 CarbonylContact O-C 3.57Å; G761-K769 VanDerWaalsContact O-CA 3.25Å; G761-K769 WeakPolarHBondContact O-CA 3.29Å; F762-K769 HydrophobicContact CD2-CG 3.91Å; K769-F781 WeakPolarHBondContact O-CD1 3.36Å
770	F	94.6	Very high	93.5	Very high	44 Å²	44	82.4 Å²	82.4	19%	0.193	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	158.8	179.7	71.3	-80.1	0	0	0	110.5	M760 G761 T780 F781	M760-F770 CarbonylContact C-O 3.6Å; M760-F770 WeakPolarHBondContact CA-O 3.26Å; G761-F770 PolarHBondContact N-O 2.74Å; G761-F770 WeakPolarHBondContact O-CD1 3.02Å; G761-F770 PolarHBondContact O-N 2.72Å; F770-T780 CarbonylContact C-O 3.58Å; F770-T780 WeakPolarHBondContact CA-O 3.35Å; F770-T780 WeakPolarHBondContact CB-O 3.48Å; F770-F781 HydrophobicContact CB-CD1 3.74Å; F770-F781 HydrophobicContact CB-CE1 3.83Å; F770-F781 HydrophobicContact CB-CG 4.46Å
771	F	95.6	Very high	93.5	Very high	22 Å²	22	85 Å²	85	10%	0.096	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	135.3	171.9	-63.6	-90	0	0	0	109.4	V754 W758 T759 M760 S779 T780 D782 L783 P784	V754-F771 HydrophobicContact CG2-CE1 4.28Å; W758-F771 HydrophobicContact CE3-CB 3.81Å; W758-F771 HydrophobicContact CZ3-CB 4.03Å; T759-F771 CarbonylContact O-C 3.55Å; T759-F771 WeakPolarHBondContact O-CA 3.45Å; M760-F771 HydrophobicContact CE-CE1 4.42Å; M760-F771 HydrophobicContact CE-CZ 4.16Å; M760-F771 HydrophobicContact CG-CD1 3.73Å; M760-F771 HydrophobicContact CG-CE1 3.54Å; M760-F771 HydrophobicContact CG-CZ 4.19Å; M760-F771 HydrophobicContact SD-CE1 3.86Å; M760-F771 HydrophobicContact SD-CZ 4.1Å; F771-S779 CarbonylContact O-C 3.52Å; F771-S779 VanDerWaalsContact O-CA 3.3Å; F771-S779 WeakPolarHBondContact O-CA 3.46Å; F771-T780 HydrophobicContact CB-CG2 4.34Å; F771-T780 PolarHBondContact N-O 3.38Å; F771-T780 PolarHBondContact O-N 2.84Å; F771-D782 WeakPolarHBondContact CD2-O 3.34Å; F771-L783 HydrophobicContact CE1-CD1 3.8Å; F771-L783 HydrophobicContact CE2-CB 4.28Å; F771-L783 HydrophobicContact CE2-CD1 4Å; F771-L783 HydrophobicContact CZ-CD1 3.42Å; F771-L783 VanDerWaalsContact CZ-CD1 3.42Å; F771-P784 HydrophobicContact CB-CG 3.83Å; F771-P784 VanDerWaalsContact CG-CD 3.49Å; F771-P784 HydrophobicContact CG-CG 4.13Å
772	Y	95.3	Very high	93.6	Very high	76 Å²	76	89.7 Å²	89.7	30%	0.298	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	129.2	177.9	177.5	-111.5	0	0	0	110.2	W758 T759 K774 K777 D778 S779	W758-Y772 CarbonylContact C-O 3.58Å; W758-Y772 WeakPolarHBondContact CA-O 3.39Å; T759-Y772 HydrophobicContact CG2-CD1 4.25Å; T759-Y772 PolarHBondContact N-O 3.25Å; T759-Y772 PolarHBondContact O-N 2.73Å; Y772-K774 HydrophobicContact CD1-CG 4.05Å; Y772-K774 HydrophobicContact CE1-CG 4.1Å; Y772-K777 HydrophobicContact CE2-CB 4.25Å; Y772-K777 WeakPolarHBondContact CE2-O 3.43Å; Y772-D778 WeakPolarHBondContact CA-O 3.28Å; Y772-D778 WeakPolarHBondContact CD2-O 3.28Å; Y772-S779 WeakPolarHBondContact CD2-OG 3.35Å
773	N	95.9	Very high	93.5	Very high	9 Å²	9	90.1 Å²	90.1	5%	0.048	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	112.9	175.9	-171.7	-47.5	0	0	0	109.7	P757 W758 K775 T776 K777 D778	P757-N773 WeakPolarHBondContact CG-OD1 3.35Å; W758-N773 HydrophobicContact CD2-CB 3.9Å; W758-N773 VanDerWaalsContact CE2-ND2 3.33Å; W758-N773 HydrophobicContact CE3-CB 3.76Å; W758-N773 HydrophobicContact CH2-CB 3.79Å; W758-N773 HydrophobicContact CZ2-CB 3.9Å; W758-N773 WeakPolarHBondContact CZ2-ND2 3.44Å; W758-N773 HydrophobicContact CZ3-CB 3.71Å; W758-N773 PolarHBondContact NE1-ND2 2.74Å; N773-K775 PolarHBondContact O-N 3.42Å; N773-K775 PolarHBondContact OD1-N 3.43Å; N773-T776 VanDerWaalsContact CB-OG1 3.3Å; N773-T776 WeakPolarHBondContact CB-OG1 3.32Å; N773-T776 VanDerWaalsContact CG-OG1 3.23Å; N773-T776 PolarHBondContact OD1-N 3.37Å; N773-K777 WeakPolarHBondContact O-CA 3.33Å; N773-K777 PolarHBondContact O-N 3.16Å; N773-D778 PolarHBondContact N-O 3.43Å
774	K	93.6	Very high	93.6	Very high	92 Å²	92	89.9 Å²	89.9	40%	0.4	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-16.7	-176.3	-66.1	178.1	-67.2	-175.5	0	114.1	E756 P757 T759 Y772	E756-K774 IonicContact OE1-NZ 2.74Å; E756-K774 PolarHBondContact OE1-NZ 3.07Å; E756-K774 WeakPolarHBondContact OE2-CE 3.33Å; E756-K774 IonicContact OE2-NZ 2.75Å; E756-K774 PolarHBondContact OE2-NZ 3.13Å; P757-K774 WeakPolarHBondContact O-CB 3.31Å; P757-K774 WeakPolarHBondContact O-CE 3.33Å; P757-K774 WeakPolarHBondContact O-CG 3.08Å; P757-K774 PolarHBondContact O-N 3.13Å; T759-K774 HydrophobicContact CG2-CD 4.17Å; T759-K774 HydrophobicContact CG2-CG 4.14Å; Y772-K774 HydrophobicContact CD1-CG 4.05Å; Y772-K774 HydrophobicContact CE1-CG 4.1Å
775	K	94.6	Very high	93.7	Very high	168 Å²	168	87 Å²	87	73%	0.73	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-51.1	178.5	-71.3	-179.2	-177	175	0	112.2	P757 N773	P757-K775 HydrophobicContact CB-CB 4.23Å; P757-K775 HydrophobicContact CB-CD 3.82Å; P757-K775 HydrophobicContact CB-CG 3.69Å; P757-K775 HydrophobicContact CG-CB 4.36Å; P757-K775 HydrophobicContact CG-CD 4.03Å; P757-K775 HydrophobicContact CG-CG 4.19Å; N773-K775 PolarHBondContact O-N 3.42Å; N773-K775 PolarHBondContact OD1-N 3.43Å
776	T	95.1	Very high	93.8	Very high	78 Å²	78	85.9 Å²	85.9	48%	0.479	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-20.8	-177.6	66.9	0	0	0	0	113.2	N773 D778	N773-T776 VanDerWaalsContact CB-OG1 3.3Å; N773-T776 WeakPolarHBondContact CB-OG1 3.32Å; N773-T776 VanDerWaalsContact CG-OG1 3.23Å; N773-T776 PolarHBondContact OD1-N 3.37Å; T776-D778 VanDerWaalsContact C-N 3.25Å; T776-D778 WeakPolarHBondContact CB-OD2 3.46Å; T776-D778 VanDerWaalsContact OG1-CG 3.26Å; T776-D778 PolarHBondContact OG1-N 3.38Å; T776-D778 PolarHBondContact OG1-OD2 3.38Å
777	K	94.4	Very high	93.9	Very high	156 Å²	156	78.8 Å²	78.8	68%	0.678	40%	0.397	S	S	*	.			trans	70.9	11.8	-172	-48.7	178.5	-178.6	174.8	0	114.7	Y772 N773	Y772-K777 HydrophobicContact CE2-CB 4.25Å; Y772-K777 WeakPolarHBondContact CE2-O 3.43Å; N773-K777 WeakPolarHBondContact O-CA 3.33Å; N773-K777 PolarHBondContact O-N 3.16Å
778	D	94.2	Very high	94.1	Very high	96 Å²	96	72.2 Å²	72.2	51%	0.513	37%	0.37	S	S	.	.			trans	-70.6	150.4	175.4	-60	-49.4	0	0	0	112	Y772 N773 T776	Y772-D778 WeakPolarHBondContact CA-O 3.28Å; Y772-D778 WeakPolarHBondContact CD2-O 3.28Å; N773-D778 PolarHBondContact N-O 3.43Å; T776-D778 VanDerWaalsContact C-N 3.25Å; T776-D778 WeakPolarHBondContact CB-OD2 3.46Å; T776-D778 VanDerWaalsContact OG1-CG 3.26Å; T776-D778 PolarHBondContact OG1-N 3.38Å; T776-D778 PolarHBondContact OG1-OD2 3.38Å
779	S	94.6	Very high	94.2	Very high	76 Å²	76	67.3 Å²	67.3	53%	0.531	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	137.3	176.2	-59.9	0	0	0	0	110.6	F771 Y772	F771-S779 CarbonylContact O-C 3.52Å; F771-S779 VanDerWaalsContact O-CA 3.3Å; F771-S779 WeakPolarHBondContact O-CA 3.46Å; Y772-S779 WeakPolarHBondContact CD2-OG 3.35Å
780	T	95.7	Very high	94.3	Very high	44 Å²	44	65.5 Å²	65.5	27%	0.27	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	151.5	173.7	178.5	0	0	0	0	112.3	W758 F770 F771 D782 P784	W758-T780 HydrophobicContact CH2-CG2 4.32Å; W758-T780 HydrophobicContact CZ3-CG2 4.22Å; F770-T780 CarbonylContact C-O 3.58Å; F770-T780 WeakPolarHBondContact CA-O 3.35Å; F770-T780 WeakPolarHBondContact CB-O 3.48Å; F771-T780 HydrophobicContact CB-CG2 4.34Å; F771-T780 PolarHBondContact N-O 3.38Å; F771-T780 PolarHBondContact O-N 2.84Å; T780-D782 WeakPolarHBondContact CG2-O 3.45Å; T780-D782 PolarHBondContact OG1-N 3.48Å; T780-P784 HydrophobicContact CG2-CG 3.76Å
781	F	94.4	Very high	94.3	Very high	73 Å²	73	63.6 Å²	63.6	32%	0.32	33%	0.333	S	S	.	.	S	Bend	trans	-89.9	-11.4	175.4	-70.5	-72.2	0	0	0	113.8	F766 K768 K769 F770	F766-F781 HydrophobicContact CB-CE1 4.28Å; F766-F781 HydrophobicContact CB-CZ 3.95Å; F766-F781 HydrophobicContact CD2-CE2 4.29Å; F766-F781 AromaticContact CD2-CZ 3.71Å; F766-F781 HydrophobicContact CD2-CZ 3.71Å; F766-F781 HydrophobicContact CE2-CZ 4.41Å; F766-F781 HydrophobicContact CG-CE2 4.48Å; F766-F781 AromaticContact CG-CZ 3.89Å; F766-F781 HydrophobicContact CG-CZ 3.89Å; K768-F781 HydrophobicContact CB-CD1 4.17Å; K768-F781 HydrophobicContact CB-CE1 4Å; K768-F781 HydrophobicContact CD-CB 4.34Å; K768-F781 HydrophobicContact CD-CD1 3.68Å; K768-F781 HydrophobicContact CD-CE1 4.29Å; K768-F781 HydrophobicContact CD-CG 4.21Å; K768-F781 HydrophobicContact CG-CD1 3.93Å; K768-F781 HydrophobicContact CG-CE1 4.29Å; K769-F781 WeakPolarHBondContact O-CD1 3.36Å; F770-F781 HydrophobicContact CB-CD1 3.74Å; F770-F781 HydrophobicContact CB-CE1 3.83Å; F770-F781 HydrophobicContact CB-CG 4.46Å
782	D	93.6	Very high	94.2	Very high	116 Å²	116	66 Å²	66	62%	0.62	35%	0.345	S	S	*	.	S	Bend	trans	-97.4	155.6	176.9	-56.1	-47.3	0	0	0	109.6	F771 T780 P784	F771-D782 WeakPolarHBondContact CD2-O 3.34Å; T780-D782 WeakPolarHBondContact CG2-O 3.45Å; T780-D782 PolarHBondContact OG1-N 3.48Å; D782-P784 WeakPolarHBondContact O-CD 3.22Å
783	L	90.1	Very high	94.1	Very high	88 Å²	88	65 Å²	65	46%	0.461	34%	0.344	S	S	.	.			trans	-72.4	113.1	-176.5	176.7	67.1	0	0	0	111.1	F771 S787 I788	F771-L783 HydrophobicContact CE1-CD1 3.8Å; F771-L783 HydrophobicContact CE2-CB 4.28Å; F771-L783 HydrophobicContact CE2-CD1 4Å; F771-L783 HydrophobicContact CZ-CD1 3.42Å; F771-L783 VanDerWaalsContact CZ-CD1 3.42Å; L783-S787 WeakPolarHBondContact CD1-OG 3.45Å; L783-I788 HydrophobicContact CD1-CG1 4.49Å; L783-I788 HydrophobicContact CD2-CD1 4.33Å; L783-I788 HydrophobicContact CD2-CG1 4.31Å; L783-I788 HydrophobicContact CG-CG1 4.44Å
784	P	93.4	Very high	94.1	Very high	16 Å²	16	64.7 Å²	64.7	10%	0.104	34%	0.342	C	S	.	.			trans	-68.2	137.9	172.6	-11.9	25.5	0	0	0	110.7	W758 F771 T780 D782 D786 S787	W758-P784 HydrophobicContact CD2-CB 4.22Å; W758-P784 HydrophobicContact CD2-CG 3.89Å; W758-P784 HydrophobicContact CE3-CG 3.74Å; W758-P784 HydrophobicContact CH2-CB 4.02Å; W758-P784 HydrophobicContact CH2-CG 3.63Å; W758-P784 HydrophobicContact CZ2-CB 3.68Å; W758-P784 HydrophobicContact CZ2-CG 3.79Å; W758-P784 HydrophobicContact CZ3-CB 4.43Å; W758-P784 HydrophobicContact CZ3-CG 3.61Å; F771-P784 HydrophobicContact CB-CG 3.83Å; F771-P784 VanDerWaalsContact CG-CD 3.49Å; F771-P784 HydrophobicContact CG-CG 4.13Å; T780-P784 HydrophobicContact CG2-CG 3.76Å; D782-P784 WeakPolarHBondContact O-CD 3.22Å; P784-D786 VanDerWaalsContact C-N 3.31Å; P784-D786 WeakPolarHBondContact CB-OD1 3.38Å; P784-D786 PolarHBondContact O-N 2.93Å; P784-S787 WeakPolarHBondContact CD-OG 3.27Å; P784-S787 WeakPolarHBondContact O-CB 3.37Å; P784-S787 PolarHBondContact O-N 2.89Å; P784-S787 VanDerWaalsContact O-N 3.12Å; P784-S787 PolarHBondContact O-OG 3.28Å
785	A	92.3	Very high	94.1	Very high	84 Å²	84	61 Å²	61	69%	0.694	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-62.6	-37.1	-178.8	0	0	0	0	0	112.7	S787 I788	A785-S787 VanDerWaalsContact C-N 3.31Å; A785-I788 WeakPolarHBondContact O-CB 2.99Å; A785-I788 WeakPolarHBondContact O-CG1 3.43Å; A785-I788 PolarHBondContact O-N 2.92Å
786	D	93.6	Very high	94	Very high	90 Å²	90	59.6 Å²	59.6	48%	0.481	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-80.2	-8.7	177.9	63.8	-35.5	0	0	0	113.6	W758 P784 I788	W758-D786 PolarHBondContact NE1-OD1 2.9Å; W758-D786 PolarHBondContact NE1-OD2 3.43Å; P784-D786 VanDerWaalsContact C-N 3.31Å; P784-D786 WeakPolarHBondContact CB-OD1 3.38Å; P784-D786 PolarHBondContact O-N 2.93Å; D786-I788 VanDerWaalsContact C-N 3.28Å
787	S	94.1	Very high	93.8	Very high	1 Å²	1	57.5 Å²	57.5	1%	0.007	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-78.9	-11.2	169	81.1	0	0	0	0	113.4	V754 N755 L783 P784 A785 A789	V754-S787 CarbonylContact C-O 3.56Å; V754-S787 WeakPolarHBondContact CA-O 3.36Å; N755-S787 PolarHBondContact N-O 3.21Å; L783-S787 WeakPolarHBondContact CD1-OG 3.45Å; P784-S787 WeakPolarHBondContact CD-OG 3.27Å; P784-S787 WeakPolarHBondContact O-CB 3.37Å; P784-S787 PolarHBondContact O-N 2.89Å; P784-S787 VanDerWaalsContact O-N 3.12Å; P784-S787 PolarHBondContact O-OG 3.28Å; A785-S787 VanDerWaalsContact C-N 3.31Å; S787-A789 PolarHBondContact O-N 3.26Å
788	I	95.2	Very high	93.9	Very high	37 Å²	37	50.6 Å²	50.6	19%	0.19	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-70.6	123.6	-176.1	-67.4	177.5	0	0	0	109.8	H675 N755 L783 A785 D786 P790	H675-I788 HydrophobicContact CB-CD1 4.48Å; H675-I788 HydrophobicContact CB-CG1 4.25Å; H675-I788 HydrophobicContact CB-CG2 3.95Å; N755-I788 WeakPolarHBondContact CB-O 3.31Å; L783-I788 HydrophobicContact CD1-CG1 4.49Å; L783-I788 HydrophobicContact CD2-CD1 4.33Å; L783-I788 HydrophobicContact CD2-CG1 4.31Å; L783-I788 HydrophobicContact CG-CG1 4.44Å; A785-I788 WeakPolarHBondContact O-CB 2.99Å; A785-I788 WeakPolarHBondContact O-CG1 3.43Å; A785-I788 PolarHBondContact O-N 2.92Å; D786-I788 VanDerWaalsContact C-N 3.28Å; I788-P790 WeakPolarHBondContact O-CD 3.49Å
789	A	95.1	Very high	94	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.261	C	S	.	.			trans	-82.1	111.7	168	0	0	0	0	0	110.6	R679 T753 S787 I793	R679-A789 PolarHBondContact NH1-O 3.21Å; R679-A789 VanDerWaalsContact NH1-O 3.12Å; T753-A789 VanDerWaalsContact O-CB 3.31Å; T753-A789 WeakPolarHBondContact O-CB 3.45Å; T753-A789 PolarHBondContact O-N 3.25Å; S787-A789 PolarHBondContact O-N 3.26Å; A789-I793 HydrophobicContact CB-CB 4.42Å; A789-I793 HydrophobicContact CB-CG2 4.16Å
790	P	94.4	Very high	94.1	Very high	9 Å²	9	44.2 Å²	44.2	6%	0.058	24%	0.239	C	C	.	.			trans	-71.2	169.8	174.2	32.6	-38	0	0	0	111.1	R672 E673 I788 H792 I793 C794	R672-P790 CarbonylContact O-C 3.5Å; R672-P790 WeakPolarHBondContact O-CA 3.48Å; E673-P790 WeakPolarHBondContact OE1-CB 3.39Å; E673-P790 VanDerWaalsContact OE2-CB 3.3Å; E673-P790 WeakPolarHBondContact OE2-CB 3.46Å; I788-P790 WeakPolarHBondContact O-CD 3.49Å; P790-H792 VanDerWaalsContact C-N 3.29Å; P790-H792 WeakPolarHBondContact CG-CE1 3.36Å; P790-H792 PolarHBondContact O-N 3.2Å; P790-I793 HydrophobicContact CG-CB 4.34Å; P790-I793 HydrophobicContact CG-CG1 3.84Å; P790-I793 PolarHBondContact O-N 3.2Å; P790-I793 VanDerWaalsContact O-N 3.11Å; P790-C794 PolarHBondContact O-N 3.28Å
791	F	94.9	Very high	94.1	Very high	5 Å²	5	42.3 Å²	42.3	2%	0.022	23%	0.227	C	C	.	.	H	α-helix	trans	-49.4	-47	-175.6	171.2	-95.4	0	0	0	112.9	F570 F602 D662 L664 R672 I793 C794 Y795	F570-F791 HydrophobicContact CE1-CE1 4.48Å; F602-F791 HydrophobicContact CE1-CE1 4.5Å; F602-F791 AromaticContact CE1-CZ 3.87Å; F602-F791 HydrophobicContact CE1-CZ 3.87Å; F602-F791 HydrophobicContact CZ-CZ 4.24Å; D662-F791 HydrophobicContact CB-CD2 4.28Å; D662-F791 HydrophobicContact CB-CE2 4.13Å; L664-F791 HydrophobicContact CD1-CD2 4.01Å; L664-F791 HydrophobicContact CD1-CE1 4.39Å; L664-F791 HydrophobicContact CD1-CE2 3.67Å; L664-F791 HydrophobicContact CD1-CZ 3.9Å; L664-F791 HydrophobicContact CD2-CD1 3.89Å; L664-F791 HydrophobicContact CD2-CE1 3.67Å; L664-F791 HydrophobicContact CD2-CE2 4.41Å; L664-F791 HydrophobicContact CD2-CG 4.38Å; L664-F791 HydrophobicContact CD2-CZ 3.96Å; L664-F791 HydrophobicContact CG-CD1 4.03Å; L664-F791 HydrophobicContact CG-CD2 3.99Å; L664-F791 HydrophobicContact CG-CE1 4.08Å; L664-F791 HydrophobicContact CG-CE2 4.03Å; L664-F791 HydrophobicContact CG-CG 4.01Å; L664-F791 HydrophobicContact CG-CZ 4.1Å; R672-F791 HydrophobicContact CB-CB 3.92Å; R672-F791 HydrophobicContact CG-CB 4.04Å; R672-F791 HydrophobicContact CG-CG 4.49Å; R672-F791 PolarHBondContact O-N 3.06Å; F791-I793 VanDerWaalsContact C-N 3.35Å; F791-I793 PolarHBondContact O-N 3.06Å; F791-C794 WeakPolarHBondContact O-CB 3.34Å; F791-C794 PolarHBondContact O-N 3.21Å; F791-Y795 HydrophobicContact CE1-CD1 4.49Å; F791-Y795 HydrophobicContact CE1-CG 4.15Å; F791-Y795 HydrophobicContact CE2-CD2 4.46Å; F791-Y795 HydrophobicContact CZ-CD1 4.44Å; F791-Y795 AromaticContact CZ-CD2 3.95Å; F791-Y795 HydrophobicContact CZ-CD2 3.95Å; F791-Y795 AromaticContact CZ-CG 3.79Å; F791-Y795 HydrophobicContact CZ-CG 3.79Å; F791-Y795 WeakPolarHBondContact O-CB 3.46Å; F791-Y795 PolarHBondContact O-N 3.46Å
792	H	92.9	Very high	94	Very high	72 Å²	72	43.9 Å²	43.9	33%	0.333	24%	0.236	S	C	.	.	H	α-helix	trans	-65.1	-35.8	-175.7	65.6	-93	0	0	0	112.8	I569 P790 Y796	I569-H792 HydrophobicContact CD1-CB 4.34Å; I569-H792 HydrophobicContact CG2-CB 3.76Å; P790-H792 VanDerWaalsContact C-N 3.29Å; P790-H792 WeakPolarHBondContact CG-CE1 3.36Å; P790-H792 PolarHBondContact O-N 3.2Å; H792-Y796 WeakPolarHBondContact O-CB 3.17Å; H792-Y796 PolarHBondContact O-N 2.81Å
793	I	93.9	Very high	93.9	Very high	55 Å²	55	39.2 Å²	39.2	28%	0.282	21%	0.209	S	C	.	.	H	α-helix	trans	-70.6	-46.8	174.7	-60.7	-59.3	0	0	0	111	A789 P790 F791 Y795 G797	A789-I793 HydrophobicContact CB-CB 4.42Å; A789-I793 HydrophobicContact CB-CG2 4.16Å; P790-I793 HydrophobicContact CG-CB 4.34Å; P790-I793 HydrophobicContact CG-CG1 3.84Å; P790-I793 PolarHBondContact O-N 3.2Å; P790-I793 VanDerWaalsContact O-N 3.11Å; F791-I793 VanDerWaalsContact C-N 3.35Å; F791-I793 PolarHBondContact O-N 3.06Å; I793-Y795 PolarHBondContact O-N 2.93Å; I793-G797 PolarHBondContact O-N 2.84Å
794	C	95.3	Very high	93.5	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.014	20%	0.202	C	C	.	.	H	α-helix	trans	-54.7	-43.8	173	-74.7	0	0	0	0	111.5	R679 V751 R752 P790 F791 R798	R679-C794 PolarHBondContact NH2-SG 3.45Å; V751-C794 HydrophobicContact CG1-CB 3.73Å; R752-C794 PolarHBondContact O-SG 3.46Å; P790-C794 PolarHBondContact O-N 3.28Å; F791-C794 WeakPolarHBondContact O-CB 3.34Å; F791-C794 PolarHBondContact O-N 3.21Å; C794-R798 PolarHBondContact O-N 3.12Å
795	Y	94.6	Very high	92.6	Very high	14 Å²	14	43.1 Å²	43.1	6%	0.055	24%	0.237	C	C	.	.	H	α-helix	trans	-71.8	-49.6	-176	-173	-113.6	0	0	0	112.3	I569 F570 Y572 F602 F791 I793 R798	I569-Y795 WeakPolarHBondContact O-CD1 3.39Å; I569-Y795 WeakPolarHBondContact O-CE1 3.42Å; F570-Y795 PolarHBondContact O-OH 3.1Å; Y572-Y795 PolarHBondContact O-OH 2.93Å; F602-Y795 AromaticContact CE2-CZ 3.99Å; F602-Y795 HydrophobicContact CZ-CE1 4.06Å; F602-Y795 AromaticContact CZ-CE2 3.98Å; F602-Y795 HydrophobicContact CZ-CE2 3.98Å; F602-Y795 AromaticContact CZ-CZ 3.65Å; F791-Y795 HydrophobicContact CE1-CD1 4.49Å; F791-Y795 HydrophobicContact CE1-CG 4.15Å; F791-Y795 HydrophobicContact CE2-CD2 4.46Å; F791-Y795 HydrophobicContact CZ-CD1 4.44Å; F791-Y795 AromaticContact CZ-CD2 3.95Å; F791-Y795 HydrophobicContact CZ-CD2 3.95Å; F791-Y795 AromaticContact CZ-CG 3.79Å; F791-Y795 HydrophobicContact CZ-CG 3.79Å; F791-Y795 WeakPolarHBondContact O-CB 3.46Å; F791-Y795 PolarHBondContact O-N 3.46Å; I793-Y795 PolarHBondContact O-N 2.93Å; Y795-R798 VanDerWaalsContact CZ-CZ 3.47Å; Y795-R798 VanDerWaalsContact O-CD 3.24Å; Y795-R798 WeakPolarHBondContact O-CD 3.49Å; Y795-R798 WeakPolarHBondContact O-CG 3.25Å; Y795-R798 PolarHBondContact O-NH1 2.77Å; Y795-R798 PolarHBondContact OH-NH2 3.34Å
796	Y	92.6	Very high	91.8	Very high	140 Å²	140	40.4 Å²	40.4	55%	0.549	22%	0.217	S	C	.	.	H	α-helix	trans	-62.1	-47.7	178.3	176.3	-100.1	0	0	0	112	Y572 H792 R798	Y572-Y796 AromaticContact CD1-CD2 3.93Å; Y572-Y796 HydrophobicContact CD1-CD2 3.93Å; Y572-Y796 HydrophobicContact CD1-CE2 4Å; Y572-Y796 AromaticContact CD2-CD2 3.6Å; Y572-Y796 HydrophobicContact CD2-CD2 3.6Å; Y572-Y796 HydrophobicContact CD2-CE2 4.37Å; Y572-Y796 AromaticContact CE1-CD2 3.94Å; Y572-Y796 HydrophobicContact CE1-CD2 3.94Å; Y572-Y796 AromaticContact CE1-CE2 3.72Å; Y572-Y796 HydrophobicContact CE1-CE2 3.72Å; Y572-Y796 AromaticContact CE2-CD2 3.58Å; Y572-Y796 HydrophobicContact CE2-CD2 3.58Å; Y572-Y796 HydrophobicContact CE2-CE2 4.09Å; Y572-Y796 AromaticContact CG-CD2 3.79Å; Y572-Y796 HydrophobicContact CG-CD2 3.79Å; Y572-Y796 HydrophobicContact CG-CE2 4.34Å; Y572-Y796 AromaticContact CZ-CD2 3.77Å; Y572-Y796 AromaticContact CZ-CE2 3.77Å; H792-Y796 WeakPolarHBondContact O-CB 3.17Å; H792-Y796 PolarHBondContact O-N 2.81Å; Y796-R798 PolarHBondContact O-N 3.25Å
797	G	91.4	Very high	91.3	Very high	33 Å²	33	36.8 Å²	36.8	34%	0.34	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	6.5	-175.4	0	0	0	0	0	115.7	I793	I793-G797 PolarHBondContact O-N 2.84Å
798	R	94.8	Very high	91	Very high	11 Å²	11	41.2 Å²	41.2	4%	0.042	21%	0.214	C	C	.	.			trans	-74.5	135.7	-174.8	78.7	-164	-173.2	-68.5	3.8	112.5	Y572 P574 T575 Q600 I750 V751 C794 Y795 Y796	Y572-R798 PolarHBondContact O-NH1 2.86Å; Y572-R798 PolarHBondContact O-NH2 3.06Å; P574-R798 HydrophobicContact CB-CG 3.9Å; T575-R798 PolarHBondContact N-O 3.23Å; Q600-R798 VanDerWaalsContact OE1-NE 3.14Å; I750-R798 WeakPolarHBondContact O-CA 3.48Å; V751-R798 HydrophobicContact CG2-CB 4.19Å; C794-R798 PolarHBondContact O-N 3.12Å; Y795-R798 VanDerWaalsContact CZ-CZ 3.47Å; Y795-R798 VanDerWaalsContact O-CD 3.24Å; Y795-R798 WeakPolarHBondContact O-CD 3.49Å; Y795-R798 WeakPolarHBondContact O-CG 3.25Å; Y795-R798 PolarHBondContact O-NH1 2.77Å; Y795-R798 PolarHBondContact OH-NH2 3.34Å; Y796-R798 PolarHBondContact O-N 3.25Å
799	L	96.8	Very high	90.6	Very high	19 Å²	19	39.5 Å²	39.5	10%	0.099	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	152	171.8	-49.2	177.3	0	0	0	110	T575 L577 I585 Y749 I750	T575-L799 HydrophobicContact CG2-CD2 3.97Å; T575-L799 CarbonylContact O-C 3.55Å; T575-L799 WeakPolarHBondContact O-CA 3.28Å; L577-L799 HydrophobicContact CD1-CD1 3.93Å; I585-L799 HydrophobicContact CD1-CD1 3.48Å; I585-L799 VanDerWaalsContact CD1-CD1 3.48Å; I585-L799 HydrophobicContact CG1-CD1 3.61Å; Y749-L799 WeakPolarHBondContact CA-O 3.46Å; I750-L799 HydrophobicContact CB-CB 4.25Å; I750-L799 PolarHBondContact N-O 3.2Å; I750-L799 PolarHBondContact O-N 2.92Å
800	F	96.6	Very high	90.3	Very high	19 Å²	19	41.5 Å²	41.5	8%	0.083	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	121.8	171.6	-176.2	-110.3	0	0	0	110.8	P574 T575 L576 L577 M746 Y749 E802	P574-F800 HydrophobicContact CB-CB 3.72Å; P574-F800 HydrophobicContact CG-CB 3.86Å; T575-F800 PolarHBondContact O-N 2.99Å; L576-F800 CarbonylContact C-O 3.6Å; L576-F800 WeakPolarHBondContact CA-O 3.29Å; L576-F800 HydrophobicContact CD2-CD1 4.39Å; L577-F800 PolarHBondContact N-O 3.23Å; M746-F800 HydrophobicContact CB-CZ 4.42Å; Y749-F800 HydrophobicContact CD1-CB 4.11Å; Y749-F800 AromaticContact CD1-CD2 3.61Å; Y749-F800 HydrophobicContact CD1-CD2 3.61Å; Y749-F800 HydrophobicContact CD1-CG 4.31Å; Y749-F800 HydrophobicContact CD2-CD2 4.33Å; Y749-F800 HydrophobicContact CE1-CB 4.05Å; Y749-F800 AromaticContact CE1-CD2 3.47Å; Y749-F800 HydrophobicContact CE1-CD2 3.47Å; Y749-F800 VanDerWaalsContact CE1-CD2 3.47Å; Y749-F800 HydrophobicContact CE1-CE2 4.22Å; Y749-F800 HydrophobicContact CE1-CG 4.05Å; Y749-F800 HydrophobicContact CE2-CD2 4.23Å; Y749-F800 HydrophobicContact CE2-CE2 4.26Å; Y749-F800 HydrophobicContact CG-CD2 4.03Å; Y749-F800 AromaticContact CZ-CD2 3.8Å; F800-E802 HydrophobicContact CD1-CB 4.14Å; F800-E802 HydrophobicContact CE1-CB 3.74Å; F800-E802 HydrophobicContact CE1-CG 4.18Å
801	W	95.4	Very high	89.8	Confident	4 Å²	4	45.8 Å²	45.8	2%	0.015	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	100.4	170.9	-177.3	27.4	0	0	0	108.3	L577 M712 F716 G747 L748 W803 V809 L821 K823 V826	L577-W801 HydrophobicContact CB-CB 3.75Å; L577-W801 HydrophobicContact CB-CG 4.25Å; L577-W801 HydrophobicContact CD2-CB 3.68Å; L577-W801 HydrophobicContact CD2-CD2 4.16Å; L577-W801 HydrophobicContact CD2-CG 3.74Å; L577-W801 HydrophobicContact CG-CB 4.35Å; M712-W801 HydrophobicContact SD-CZ3 4.29Å; F716-W801 AromaticContact CE1-CH2 3.9Å; F716-W801 HydrophobicContact CE1-CH2 3.9Å; F716-W801 HydrophobicContact CE1-CZ3 4Å; F716-W801 AromaticContact CZ-CH2 3.83Å; F716-W801 HydrophobicContact CZ-CH2 3.83Å; F716-W801 AromaticContact CZ-CZ3 3.74Å; F716-W801 HydrophobicContact CZ-CZ3 3.74Å; G747-W801 CarbonylContact C-O 3.6Å; G747-W801 WeakPolarHBondContact CA-O 3.44Å; L748-W801 HydrophobicContact CB-CE3 4.38Å; L748-W801 HydrophobicContact CD2-CE3 4.47Å; L748-W801 PolarHBondContact N-O 3.25Å; L748-W801 PolarHBondContact O-N 3.31Å; W801-W803 AromaticContact CD2-CD1 3.91Å; W801-W803 AromaticContact CD2-NE1 3.27Å; W801-W803 VanDerWaalsContact CD2-NE1 3.27Å; W801-W803 AromaticContact CE2-CD1 3.91Å; W801-W803 AromaticContact CE2-NE1 3.53Å; W801-W803 HydrophobicContact CE3-CZ2 4.18Å; W801-W803 AromaticContact CE3-NE1 3.22Å; W801-W803 AromaticContact CG-NE1 3.9Å; W801-W803 AromaticContact CH2-NE1 3.7Å; W801-W803 AromaticContact CZ2-NE1 3.75Å; W801-W803 AromaticContact CZ3-CZ2 3.94Å; W801-W803 HydrophobicContact CZ3-CZ2 3.94Å; W801-W803 AromaticContact CZ3-NE1 3.45Å; W801-V809 HydrophobicContact CH2-CG1 3.58Å; W801-V809 HydrophobicContact CZ2-CG1 3.65Å; W801-V809 HydrophobicContact CZ3-CG1 4.45Å; W801-L821 PolarHBondContact NE1-O 3.27Å; W801-K823 HydrophobicContact CH2-CB 4.44Å; W801-V826 HydrophobicContact CH2-CB 4.37Å; W801-V826 HydrophobicContact CH2-CG2 4.17Å; W801-V826 HydrophobicContact CZ2-CG2 4.03Å; W801-V826 HydrophobicContact CZ3-CG1 4.49Å; W801-V826 HydrophobicContact CZ3-CG2 4.46Å
802	E	93.1	Very high	89.2	Confident	107 Å²	107	49.6 Å²	49.6	50%	0.5	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	140.5	177.3	-174.6	174.2	-156.1	0	0	110.7	F800 I807	F800-E802 HydrophobicContact CD1-CB 4.14Å; F800-E802 HydrophobicContact CE1-CB 3.74Å; F800-E802 HydrophobicContact CE1-CG 4.18Å; E802-I807 WeakPolarHBondContact O-CD1 3.19Å
803	W	91	Very high	88.7	Confident	17 Å²	17	48.2 Å²	48.2	6%	0.064	26%	0.258	C	S	.	.			trans	-115.1	67.6	176.6	-65.8	-12.4	0	0	0	110.2	V595 I715 F716 L719 L733 P745 M746 L748 W801 V809	V595-W803 HydrophobicContact CG1-CH2 4.45Å; V595-W803 HydrophobicContact CG1-CZ3 4.03Å; V595-W803 HydrophobicContact CG2-CH2 4.37Å; I715-W803 HydrophobicContact CG2-CH2 3.95Å; F716-W803 HydrophobicContact CE1-CZ2 4.12Å; L719-W803 HydrophobicContact CD1-CH2 4.11Å; L719-W803 HydrophobicContact CD1-CZ3 4.02Å; L719-W803 HydrophobicContact CD2-CZ3 3.92Å; L733-W803 HydrophobicContact CD2-CE3 4.25Å; P745-W803 HydrophobicContact CB-CE3 3.78Å; P745-W803 HydrophobicContact CB-CZ3 3.85Å; P745-W803 HydrophobicContact CG-CE3 3.84Å; P745-W803 HydrophobicContact CG-CZ3 3.99Å; M746-W803 PolarHBondContact O-N 2.96Å; L748-W803 HydrophobicContact CB-CH2 4.38Å; L748-W803 HydrophobicContact CB-CZ2 3.82Å; L748-W803 HydrophobicContact CD1-CH2 4.39Å; L748-W803 HydrophobicContact CD1-CZ2 3.99Å; W801-W803 AromaticContact CD2-CD1 3.91Å; W801-W803 AromaticContact CD2-NE1 3.27Å; W801-W803 VanDerWaalsContact CD2-NE1 3.27Å; W801-W803 AromaticContact CE2-CD1 3.91Å; W801-W803 AromaticContact CE2-NE1 3.53Å; W801-W803 HydrophobicContact CE3-CZ2 4.18Å; W801-W803 AromaticContact CE3-NE1 3.22Å; W801-W803 AromaticContact CG-NE1 3.9Å; W801-W803 AromaticContact CH2-NE1 3.7Å; W801-W803 AromaticContact CZ2-NE1 3.75Å; W801-W803 AromaticContact CZ3-CZ2 3.94Å; W801-W803 HydrophobicContact CZ3-CZ2 3.94Å; W801-W803 AromaticContact CZ3-NE1 3.45Å; W803-V809 HydrophobicContact CD2-CG1 4.3Å; W803-V809 HydrophobicContact CD2-CG2 4.13Å; W803-V809 HydrophobicContact CE3-CG2 4.35Å; W803-V809 HydrophobicContact CG-CG1 4.31Å; W803-V809 HydrophobicContact CG-CG2 4.3Å; W803-V809 HydrophobicContact CZ2-CG1 4.46Å
804	G	81.1	Confident	87.7	Confident	30 Å²	30	54.3 Å²	54.3	31%	0.309	28%	0.283	S	S	.	.			trans	-94.6	-169.7	175.3	0	0	0	0	0	114	I807	G804-I807 PolarHBondContact O-N 3.37Å
805	D	74.7	Confident	86.3	Confident	156 Å²	156	59.8 Å²	59.8	83%	0.834	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	141.7	174.8	-72.2	-42.7	0	0	0	111.8	K820	D805-K820 PolarHBondContact O-NZ 2.73Å
806	G	75.9	Confident	85.3	Confident	27 Å²	27	61.7 Å²	61.7	28%	0.278	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.3	2.5	-174.7	0	0	0	0	0	115	D817	G806-D817 WeakPolarHBondContact O-CB 3.38Å; G806-D817 PolarHBondContact O-N 3.3Å
807	I	84.2	Confident	84.7	Confident	15 Å²	15	58.1 Å²	58.1	8%	0.077	32%	0.318	C	S	.	.			trans	-109.9	128.4	173.8	-65.2	175.4	0	0	0	110.5	E802 G804 V809 Q813 K820	E802-I807 WeakPolarHBondContact O-CD1 3.19Å; G804-I807 PolarHBondContact O-N 3.37Å; I807-V809 HydrophobicContact CG2-CG1 3.98Å; I807-Q813 PolarHBondContact O-NE2 3.04Å; I807-Q813 VanDerWaalsContact O-NE2 3.13Å; I807-K820 HydrophobicContact CD1-CB 4.27Å; I807-K820 HydrophobicContact CD1-CD 3.94Å; I807-K820 HydrophobicContact CG1-CB 3.81Å; I807-K820 HydrophobicContact CG1-CD 3.59Å; I807-K820 HydrophobicContact CG1-CG 4.32Å
808	R	86.6	Confident	83.9	Confident	93 Å²	93	65.7 Å²	65.7	35%	0.351	35%	0.345	S	S	.	.			trans	-102.6	106.6	177.1	-165.4	178.1	-169.3	-141.9	0.9	109.8	D811 Q813 Q816 K823	R808-D811 PolarHBondContact NE-O 3.26Å; R808-D811 PolarHBondContact NH2-O 3.44Å; R808-Q813 HydrophobicContact CG-CB 4.37Å; R808-Q816 HydrophobicContact CB-CB 4.49Å; R808-K823 PolarHBondContact O-N 3.24Å
809	V	88.3	Confident	83.1	Confident	2 Å²	2	72.6 Å²	72.6	1%	0.012	38%	0.382	C	S	.	.	S	Bend	trans	-117.9	-10.1	171.2	-70.1	0	0	0	0	113.1	F716 L719 L733 W801 W803 I807 Q813 K823	F716-V809 HydrophobicContact CD1-CB 4.18Å; F716-V809 HydrophobicContact CE1-CB 4.04Å; F716-V809 HydrophobicContact CE1-CG1 4.04Å; L719-V809 HydrophobicContact CD1-CB 4.29Å; L719-V809 HydrophobicContact CD1-CG2 4.15Å; L733-V809 HydrophobicContact CD2-CG2 3.55Å; W801-V809 HydrophobicContact CH2-CG1 3.58Å; W801-V809 HydrophobicContact CZ2-CG1 3.65Å; W801-V809 HydrophobicContact CZ3-CG1 4.45Å; W803-V809 HydrophobicContact CD2-CG1 4.3Å; W803-V809 HydrophobicContact CD2-CG2 4.13Å; W803-V809 HydrophobicContact CE3-CG2 4.35Å; W803-V809 HydrophobicContact CG-CG1 4.31Å; W803-V809 HydrophobicContact CG-CG2 4.3Å; W803-V809 HydrophobicContact CZ2-CG1 4.46Å; I807-V809 HydrophobicContact CG2-CG1 3.98Å; V809-Q813 VanDerWaalsContact CG2-OE1 3.31Å; V809-K823 HydrophobicContact CB-CB 4.43Å; V809-K823 HydrophobicContact CG1-CB 4.23Å; V809-K823 VanDerWaalsContact O-CD 3.28Å; V809-K823 WeakPolarHBondContact O-CD 3.47Å
810	H	88	Confident	82.6	Confident	41 Å²	41	75.5 Å²	75.5	19%	0.19	39%	0.394	C	S	.	.	S	Bend	trans	-135	141.7	172.4	-176.8	-87.4	0	0	0	109.9	L719 L733 S812 Q813	L719-H810 PolarHBondContact O-CD2 2.9Å; L719-H810 VanDerWaalsContact O-CD2 3.23Å; L733-H810 HydrophobicContact CD1-CB 3.67Å; H810-S812 PolarHBondContact CE1-OG 3.25Å; H810-S812 PolarHBondContact ND1-N 2.89Å; H810-S812 PolarHBondContact ND1-OG 2.91Å; H810-S812 PolarHBondContact O-N 3.29Å; H810-S812 VanDerWaalsContact O-N 3.11Å; H810-Q813 HydrophobicContact CB-CG 4.42Å; H810-Q813 WeakPolarHBondContact O-CB 3.47Å; H810-Q813 PolarHBondContact O-N 3.1Å
811	D	83.4	Confident	82.3	Confident	99 Å²	99	75.1 Å²	75.1	53%	0.529	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-29.4	-165.5	-58.3	-19	0	0	0	113.3	R808 Q813 K823	R808-D811 PolarHBondContact NE-O 3.26Å; R808-D811 PolarHBondContact NH2-O 3.44Å; D811-Q813 VanDerWaalsContact C-N 3.31Å; D811-Q813 PolarHBondContact O-N 3.18Å; D811-K823 IonicContact OD1-NZ 2.81Å
812	S	82.2	Confident	82	Confident	86 Å²	86	75.5 Å²	75.5	60%	0.601	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-0.3	177.4	-40	0	0	0	0	115.6	H810	H810-S812 PolarHBondContact CE1-OG 3.25Å; H810-S812 PolarHBondContact ND1-N 2.89Å; H810-S812 PolarHBondContact ND1-OG 2.91Å; H810-S812 PolarHBondContact O-N 3.29Å; H810-S812 VanDerWaalsContact O-N 3.11Å
813	Q	82.1	Confident	82	Confident	43 Å²	43	72 Å²	72	20%	0.201	38%	0.379	C	S	.	.	S	Bend	trans	-76.2	157.3	173.7	-68.8	176.9	-76.3	0	0	111.6	M721 I807 R808 V809 H810 D811	M721-Q813 HydrophobicContact SD-CG 4.5Å; I807-Q813 PolarHBondContact O-NE2 3.04Å; I807-Q813 VanDerWaalsContact O-NE2 3.13Å; R808-Q813 HydrophobicContact CG-CB 4.37Å; V809-Q813 VanDerWaalsContact CG2-OE1 3.31Å; H810-Q813 HydrophobicContact CB-CG 4.42Å; H810-Q813 WeakPolarHBondContact O-CB 3.47Å; H810-Q813 PolarHBondContact O-N 3.1Å; D811-Q813 VanDerWaalsContact C-N 3.31Å; D811-Q813 PolarHBondContact O-N 3.18Å
814	K	73.6	Confident	82	Confident	182 Å²	182	74.6 Å²	74.6	79%	0.791	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-62.9	165.2	176.8	-75.4	-173.7	179.6	-178.9	0	111.9
815	P	65.8	Low	82.5	Confident	118 Å²	118	76.9 Å²	76.9	77%	0.766	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-52.3	143.2	-176.8	-29	36.7	0	0	0	114.3
816	Q	74	Confident	83.4	Confident	53 Å²	53	69.5 Å²	69.5	25%	0.248	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-64.9	138.1	178.8	-179.2	67.8	29.4	0	0	111.3	R808 K820	R808-Q816 HydrophobicContact CB-CB 4.49Å; Q816-K820 VanDerWaalsContact NE2-C 3.32Å; Q816-K820 PolarHBondContact NE2-O 3.37Å
817	D	79.2	Confident	84.2	Confident	66 Å²	66	69.2 Å²	69.2	35%	0.353	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-75.7	123.9	163.4	-176.9	-4	0	0	0	109.2	G806 D819 K820	G806-D817 WeakPolarHBondContact O-CB 3.38Å; G806-D817 PolarHBondContact O-N 3.3Å; D817-D819 PolarHBondContact O-N 2.85Å; D817-D819 PolarHBondContact OD1-N 3.11Å; D817-K820 HydrophobicContact CB-CB 4.41Å; D817-K820 HydrophobicContact CB-CD 4.03Å; D817-K820 HydrophobicContact CB-CG 4.05Å; D817-K820 PolarHBondContact O-N 2.83Å; D817-K820 WeakPolarHBondContact OD2-CE 3.43Å; D817-K820 IonicContact OD2-NZ 2.66Å
818	Q	75.3	Confident	84.6	Confident	191 Å²	191	71.8 Å²	71.8	89%	0.893	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-24.5	-171.1	-67.3	-173.9	-4.3	0	0	113.3	K820	Q818-K820 VanDerWaalsContact C-N 3.3Å
819	D	79.1	Confident	84.9	Confident	156 Å²	156	68 Å²	68	83%	0.834	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-3.7	178.5	-72.3	-35.3	0	0	0	113.4	D817	D817-D819 PolarHBondContact O-N 2.85Å; D817-D819 PolarHBondContact OD1-N 3.11Å
820	K	85.4	Confident	85.1	Confident	81 Å²	81	68 Å²	68	35%	0.352	36%	0.356	S	S	.	.	S	Bend	trans	-110.9	150.3	-178.7	-56.8	-172.9	-174	-177	0	111.5	D805 I807 Q816 D817 Q818	D805-K820 PolarHBondContact O-NZ 2.73Å; I807-K820 HydrophobicContact CD1-CB 4.27Å; I807-K820 HydrophobicContact CD1-CD 3.94Å; I807-K820 HydrophobicContact CG1-CB 3.81Å; I807-K820 HydrophobicContact CG1-CD 3.59Å; I807-K820 HydrophobicContact CG1-CG 4.32Å; Q816-K820 VanDerWaalsContact NE2-C 3.32Å; Q816-K820 PolarHBondContact NE2-O 3.37Å; D817-K820 HydrophobicContact CB-CB 4.41Å; D817-K820 HydrophobicContact CB-CD 4.03Å; D817-K820 HydrophobicContact CB-CG 4.05Å; D817-K820 PolarHBondContact O-N 2.83Å; D817-K820 WeakPolarHBondContact OD2-CE 3.43Å; D817-K820 IonicContact OD2-NZ 2.66Å; Q818-K820 VanDerWaalsContact C-N 3.3Å
821	L	89.6	Confident	85.2	Confident	11 Å²	11	71.9 Å²	71.9	6%	0.058	37%	0.373	C	S	.	.			trans	-74.5	126.2	174.8	-70.4	171.3	0	0	0	111.4	L577 L582 W801 D825 V826	L577-L821 HydrophobicContact CD2-CD1 4Å; L577-L821 HydrophobicContact CG-CD1 3.76Å; L582-L821 HydrophobicContact CB-CD1 4.31Å; L582-L821 HydrophobicContact CD2-CD1 4.1Å; L582-L821 HydrophobicContact CD2-CD2 3.92Å; W801-L821 PolarHBondContact NE1-O 3.27Å; L821-D825 HydrophobicContact CD2-CB 3.99Å; L821-V826 HydrophobicContact CB-CG2 4.11Å; L821-V826 HydrophobicContact CD1-CG2 4.24Å
822	S	90.7	Very high	85.4	Confident	11 Å²	11	73.4 Å²	73.4	8%	0.077	38%	0.379	C	S	.	.			trans	-83.1	169.1	167.8	70.8	0	0	0	0	111.9	E824 D825 V826	S822-E824 VanDerWaalsContact C-N 3.27Å; S822-E824 PolarHBondContact O-N 3.15Å; S822-E824 PolarHBondContact OG-N 3.38Å; S822-D825 VanDerWaalsContact CB-OD2 3.3Å; S822-D825 WeakPolarHBondContact CB-OD2 3.34Å; S822-D825 PolarHBondContact N-OD2 3.06Å; S822-D825 PolarHBondContact O-N 3.48Å; S822-D825 PolarHBondContact OG-N 3.34Å; S822-D825 VanDerWaalsContact OG-N 3.16Å; S822-D825 PolarHBondContact OG-OD2 3.41Å; S822-V826 PolarHBondContact O-N 3.04Å
823	K	91.8	Very high	85.6	Confident	34 Å²	34	70.9 Å²	70.9	15%	0.148	36%	0.358	C	S	.	.	H	α-helix	trans	-56.9	-41.7	168.3	157.3	-175.9	156.9	-116	0	112	F716 W801 R808 V809 D811 V826 L827	F716-K823 HydrophobicContact CB-CD 4.15Å; F716-K823 HydrophobicContact CD1-CB 4.41Å; F716-K823 HydrophobicContact CD1-CD 3.7Å; F716-K823 HydrophobicContact CD1-CG 4.06Å; F716-K823 HydrophobicContact CD2-CD 4.19Å; F716-K823 HydrophobicContact CD2-CG 4.23Å; F716-K823 HydrophobicContact CE1-CB 3.96Å; F716-K823 HydrophobicContact CE1-CD 4.07Å; F716-K823 HydrophobicContact CE1-CG 3.91Å; F716-K823 HydrophobicContact CE2-CG 4.09Å; F716-K823 HydrophobicContact CG-CD 3.75Å; F716-K823 HydrophobicContact CG-CG 4.21Å; F716-K823 HydrophobicContact CZ-CB 4.17Å; F716-K823 HydrophobicContact CZ-CD 4.45Å; F716-K823 HydrophobicContact CZ-CG 3.92Å; W801-K823 HydrophobicContact CH2-CB 4.44Å; R808-K823 PolarHBondContact O-N 3.24Å; V809-K823 HydrophobicContact CB-CB 4.43Å; V809-K823 HydrophobicContact CG1-CB 4.23Å; V809-K823 VanDerWaalsContact O-CD 3.28Å; V809-K823 WeakPolarHBondContact O-CD 3.47Å; D811-K823 IonicContact OD1-NZ 2.81Å; K823-V826 PolarHBondContact O-N 2.75Å; K823-L827 HydrophobicContact CD-CD1 4.46Å; K823-L827 HydrophobicContact CG-CD1 3.71Å; K823-L827 HydrophobicContact CG-CG 4.36Å; K823-L827 WeakPolarHBondContact O-CB 3.4Å; K823-L827 WeakPolarHBondContact O-CG 3.22Å; K823-L827 PolarHBondContact O-N 3.21Å
824	E	90.9	Very high	85.1	Confident	72 Å²	72	73 Å²	73	34%	0.336	36%	0.364	S	S	.	.	H	α-helix	trans	-66.4	-38	-177.1	-71.4	62.8	-137.3	0	0	111.5	S822 S828	S822-E824 VanDerWaalsContact C-N 3.27Å; S822-E824 PolarHBondContact O-N 3.15Å; S822-E824 PolarHBondContact OG-N 3.38Å; E824-S828 VanDerWaalsContact O-CB 3.23Å; E824-S828 WeakPolarHBondContact O-CB 3.46Å; E824-S828 PolarHBondContact O-N 3.04Å; E824-S828 PolarHBondContact O-OG 3.17Å
825	D	91.6	Very high	84.2	Confident	78 Å²	78	69.3 Å²	69.3	42%	0.417	37%	0.367	S	S	.	.	H	α-helix	trans	-62.6	-49.9	175.4	-58	-52.2	0	0	0	111.7	L821 S822 S828 F829	L821-D825 HydrophobicContact CD2-CB 3.99Å; S822-D825 VanDerWaalsContact CB-OD2 3.3Å; S822-D825 WeakPolarHBondContact CB-OD2 3.34Å; S822-D825 PolarHBondContact N-OD2 3.06Å; S822-D825 PolarHBondContact O-N 3.48Å; S822-D825 PolarHBondContact OG-N 3.34Å; S822-D825 VanDerWaalsContact OG-N 3.16Å; S822-D825 PolarHBondContact OG-OD2 3.41Å; D825-S828 PolarHBondContact O-N 3.36Å; D825-F829 WeakPolarHBondContact O-CB 3.42Å; D825-F829 PolarHBondContact O-N 3.44Å
826	V	93.1	Very high	85.1	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-67.6	-42.3	-177.1	178.9	0	0	0	0	111	L577 L582 M712 W801 L821 S822 K823 F829 I830	L577-V826 HydrophobicContact CD2-CG2 4.26Å; L582-V826 HydrophobicContact CD1-CG1 4.49Å; L582-V826 HydrophobicContact CD2-CG2 4.43Å; M712-V826 HydrophobicContact CE-CG1 4.23Å; M712-V826 HydrophobicContact SD-CG1 3.71Å; W801-V826 HydrophobicContact CH2-CB 4.37Å; W801-V826 HydrophobicContact CH2-CG2 4.17Å; W801-V826 HydrophobicContact CZ2-CG2 4.03Å; W801-V826 HydrophobicContact CZ3-CG1 4.49Å; W801-V826 HydrophobicContact CZ3-CG2 4.46Å; L821-V826 HydrophobicContact CB-CG2 4.11Å; L821-V826 HydrophobicContact CD1-CG2 4.24Å; S822-V826 PolarHBondContact O-N 3.04Å; K823-V826 PolarHBondContact O-N 2.75Å; V826-F829 PolarHBondContact O-N 3.07Å; V826-I830 HydrophobicContact CG1-CD1 3.88Å; V826-I830 WeakPolarHBondContact O-CB 3.17Å; V826-I830 VanDerWaalsContact O-CG1 3.31Å; V826-I830 WeakPolarHBondContact O-CG1 3.28Å; V826-I830 PolarHBondContact O-N 3.41Å
827	L	93.4	Very high	85.7	Confident	21 Å²	21	67.6 Å²	67.6	11%	0.11	35%	0.352	C	S	.	.	H	α-helix	trans	-66.2	-40.2	176.5	-74.5	177.9	0	0	0	112.1	E713 F716 K823 I830 Q831	E713-L827 HydrophobicContact CB-CD2 4.19Å; F716-L827 HydrophobicContact CD2-CD1 4.17Å; F716-L827 HydrophobicContact CE2-CD1 3.98Å; F716-L827 HydrophobicContact CE2-CD2 3.93Å; F716-L827 HydrophobicContact CE2-CG 3.99Å; K823-L827 HydrophobicContact CD-CD1 4.46Å; K823-L827 HydrophobicContact CG-CD1 3.71Å; K823-L827 HydrophobicContact CG-CG 4.36Å; K823-L827 WeakPolarHBondContact O-CB 3.4Å; K823-L827 WeakPolarHBondContact O-CG 3.22Å; K823-L827 PolarHBondContact O-N 3.21Å; L827-I830 PolarHBondContact O-N 3.04Å; L827-Q831 WeakPolarHBondContact O-CB 3.46Å; L827-Q831 VanDerWaalsContact O-CG 3.29Å; L827-Q831 WeakPolarHBondContact O-CG 3.34Å; L827-Q831 PolarHBondContact O-N 3.24Å
828	S	92.7	Very high	86	Confident	70 Å²	70	67.7 Å²	67.7	49%	0.49	35%	0.352	S	S	.	.	H	α-helix	trans	-63.3	-43.6	176.7	-59.5	0	0	0	0	111.4	E824 D825 Q831 M832	E824-S828 VanDerWaalsContact O-CB 3.23Å; E824-S828 WeakPolarHBondContact O-CB 3.46Å; E824-S828 PolarHBondContact O-N 3.04Å; E824-S828 PolarHBondContact O-OG 3.17Å; D825-S828 PolarHBondContact O-N 3.36Å; S828-Q831 PolarHBondContact O-N 3.43Å; S828-M832 WeakPolarHBondContact O-CB 3.26Å; S828-M832 PolarHBondContact O-N 3.1Å
829	F	93.8	Very high	86.7	Confident	13 Å²	13	60.4 Å²	60.4	6%	0.057	32%	0.32	C	S	.	.	H	α-helix	trans	-59.2	-46.9	173.2	177.2	-87.3	0	0	0	112	L582 I585 R586 D825 V826 Q831 M832 H833	L582-F829 HydrophobicContact CD1-CB 4.3Å; L582-F829 HydrophobicContact CD1-CD1 3.52Å; L582-F829 HydrophobicContact CD1-CE1 3.95Å; L582-F829 HydrophobicContact CD1-CG 3.85Å; L582-F829 HydrophobicContact CD2-CB 3.96Å; L582-F829 HydrophobicContact CD2-CD2 4.34Å; L582-F829 HydrophobicContact CD2-CG 4.02Å; L582-F829 HydrophobicContact CG-CB 4.21Å; L582-F829 HydrophobicContact CG-CD1 3.88Å; L582-F829 HydrophobicContact CG-CD2 3.96Å; L582-F829 HydrophobicContact CG-CE1 4.27Å; L582-F829 HydrophobicContact CG-CE2 4.32Å; L582-F829 HydrophobicContact CG-CG 3.73Å; L582-F829 HydrophobicContact CG-CZ 4.47Å; L582-F829 WeakPolarHBondContact O-CE1 3.03Å; L582-F829 WeakPolarHBondContact O-CZ 3.32Å; I585-F829 HydrophobicContact CB-CE1 4.23Å; R586-F829 HydrophobicContact CG-CZ 4.14Å; D825-F829 WeakPolarHBondContact O-CB 3.42Å; D825-F829 PolarHBondContact O-N 3.44Å; V826-F829 PolarHBondContact O-N 3.07Å; F829-Q831 PolarHBondContact O-N 3.03Å; F829-M832 PolarHBondContact O-N 3.34Å; F829-H833 AromaticContact CD1-ND1 3.93Å; F829-H833 AromaticContact CD2-CE1 3.55Å; F829-H833 AromaticContact CD2-ND1 3.51Å; F829-H833 AromaticContact CE1-ND1 3.79Å; F829-H833 AromaticContact CE2-CE1 3.31Å; F829-H833 WeakPolarHBondContact CE2-CE1 3.49Å; F829-H833 AromaticContact CE2-ND1 3.37Å; F829-H833 WeakPolarHBondContact CE2-ND1 3.43Å; F829-H833 AromaticContact CG-ND1 3.79Å; F829-H833 AromaticContact CZ-CE1 3.85Å; F829-H833 AromaticContact CZ-ND1 3.51Å; F829-H833 PolarHBondContact O-N 3.2Å; F829-H833 VanDerWaalsContact O-N 3.17Å; F829-H833 PolarHBondContact O-ND1 3.19Å
830	I	92.6	Very high	87.1	Confident	3 Å²	3	54.4 Å²	54.4	2%	0.015	29%	0.288	C	S	.	.	H	α-helix	trans	-62	-43.9	179.3	-75.2	167.1	0	0	0	111	V588 L709 M712 V826 L827 H833 R834	V588-I830 HydrophobicContact CG1-CG2 4.16Å; L709-I830 HydrophobicContact CD1-CD1 3.91Å; L709-I830 HydrophobicContact CG-CD1 4.13Å; L709-I830 HydrophobicContact CG-CG1 4.49Å; M712-I830 HydrophobicContact CB-CD1 4.11Å; M712-I830 HydrophobicContact CE-CD1 4.27Å; M712-I830 HydrophobicContact SD-CD1 3.68Å; V826-I830 HydrophobicContact CG1-CD1 3.88Å; V826-I830 WeakPolarHBondContact O-CB 3.17Å; V826-I830 VanDerWaalsContact O-CG1 3.31Å; V826-I830 WeakPolarHBondContact O-CG1 3.28Å; V826-I830 PolarHBondContact O-N 3.41Å; L827-I830 PolarHBondContact O-N 3.04Å; I830-H833 CarbonylContact O-C 3.58Å; I830-H833 PolarHBondContact O-N 2.58Å; I830-R834 WeakPolarHBondContact O-CG 3.36Å; I830-R834 PolarHBondContact O-N 3.3Å; I830-R834 VanDerWaalsContact O-N 3.11Å
831	Q	89.4	Confident	87.3	Confident	121 Å²	121	52.7 Å²	52.7	57%	0.565	28%	0.284	S	S	*	.	H	α-helix	trans	-63.9	-42.5	178.8	-73.1	175.7	15.4	0	0	112.3	L827 S828 F829 H833 R834	L827-Q831 WeakPolarHBondContact O-CB 3.46Å; L827-Q831 VanDerWaalsContact O-CG 3.29Å; L827-Q831 WeakPolarHBondContact O-CG 3.34Å; L827-Q831 PolarHBondContact O-N 3.24Å; S828-Q831 PolarHBondContact O-N 3.43Å; F829-Q831 PolarHBondContact O-N 3.03Å; Q831-H833 PolarHBondContact O-N 2.6Å; Q831-R834 PolarHBondContact O-N 3.25Å
832	M	88.3	Confident	87.1	Confident	131 Å²	131	55.6 Å²	55.6	65%	0.645	30%	0.3	S	S	*	.	H	α-helix	trans	-64.6	-28.5	177.4	-170.4	166	70.6	0	0	112.9	S828 F829	S828-M832 WeakPolarHBondContact O-CB 3.26Å; S828-M832 PolarHBondContact O-N 3.1Å; F829-M832 PolarHBondContact O-N 3.34Å
833	H	84.4	Confident	86.8	Confident	34 Å²	34	59.1 Å²	59.1	16%	0.157	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	19.3	-176.9	-58.2	106.2	0	0	0	114.5	R586 V588 F829 I830 Q831	R586-H833 PolarHBondContact NH1-NE2 3.5Å; R586-H833 PolarHBondContact NH2-NE2 3.09Å; R586-H833 VanDerWaalsContact NH2-NE2 3.18Å; V588-H833 HydrophobicContact CG2-CB 3.72Å; V588-H833 WeakPolarHBondContact CG2-O 3.35Å; F829-H833 AromaticContact CD1-ND1 3.93Å; F829-H833 AromaticContact CD2-CE1 3.55Å; F829-H833 AromaticContact CD2-ND1 3.51Å; F829-H833 AromaticContact CE1-ND1 3.79Å; F829-H833 AromaticContact CE2-CE1 3.31Å; F829-H833 WeakPolarHBondContact CE2-CE1 3.49Å; F829-H833 AromaticContact CE2-ND1 3.37Å; F829-H833 WeakPolarHBondContact CE2-ND1 3.43Å; F829-H833 AromaticContact CG-ND1 3.79Å; F829-H833 AromaticContact CZ-CE1 3.85Å; F829-H833 AromaticContact CZ-ND1 3.51Å; F829-H833 PolarHBondContact O-N 3.2Å; F829-H833 VanDerWaalsContact O-N 3.17Å; F829-H833 PolarHBondContact O-ND1 3.19Å; I830-H833 CarbonylContact O-C 3.58Å; I830-H833 PolarHBondContact O-N 2.58Å; Q831-H833 PolarHBondContact O-N 2.6Å
834	R	72.8	Confident	86.4	Confident	88 Å²	88	61.2 Å²	61.2	33%	0.332	33%	0.331	S	S	.	.			trans	-81.9	-8.4	170.3	-96.2	177.8	176.1	-168.1	0.6	113.9	F589 E710 E713 I830 Q831	F589-R834 WeakPolarHBondContact CZ-O 3.45Å; E710-R834 HydrophobicContact CB-CG 3.94Å; E710-R834 VanDerWaalsContact O-CZ 3.22Å; E710-R834 PolarHBondContact O-NE 3.41Å; E710-R834 PolarHBondContact O-NH2 3.13Å; E713-R834 IonicContact OE1-CZ 2.73Å; E713-R834 IonicContact OE1-NH2 3.38Å; E713-R834 PolarHBondContact OE1-NH2 2.98Å; E713-R834 IonicContact OE2-NH2 3.68Å; E713-R834 PolarHBondContact OE2-NH2 3.09Å; E713-R834 VanDerWaalsContact OE2-NH2 3.09Å; I830-R834 WeakPolarHBondContact O-CG 3.36Å; I830-R834 PolarHBondContact O-N 3.3Å; I830-R834 VanDerWaalsContact O-N 3.11Å; Q831-R834 PolarHBondContact O-N 3.25Å
835	A	53.7	Low	86	Confident	103 Å²	103	60.2 Å²	60.2	85%	0.851	33%	0.331	S	S	*	.			trans	-99.1	0	-158.2	0	0	0	0	0	116.9	K764	K764-A835 VanDerWaalsContact CE-OXT 3.31Å; K764-A835 WeakPolarHBondContact CE-OXT 3.19Å; K764-A835 PolarHBondContact NZ-OXT 3.41Å

Retrieved 835 of 835 residues in 160 ms (Link to these results)

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