A0A590UJX2_HUMAN Loading...

Discs large MAGUK scaffold protein 1

AlphaFold DB , UniProt , Accession A0A590UJX2, Species HUMAN (Homo sapiens, Human), Gene DLG1, Length 833 aa.

						>A0A590UJX2_HUMAN|A0A590UJX2|DLG1
MNYIFGNNTLLYSRGSRGGNTSSSHGSAGPKQKHWAKKGSSDELQAEPEPSRWQQIVAFFTRRHSFIDCISVATSSTQPTEAVLPSPPTVPVIPVLPVPAENTVILPTIPQANPPPVLVNTDSLETPTYVNGTDADYEYEEITLERGNSGLGFSIAGGTDNPHIGDDSSIFITKIITGGAAAQDGRLRVNDCILRVNEVDVRDVTHSKAVEALKEAGSIVRLYVKRRKPVSEKIMEIKLIKGPKGLGFSIAGGVGNQHIPGDNSIYVTKIIEGGAAHKDGKLQIGDKLLAVNNVCLEEVTHEEAVTALKNTSDFVYLKVAKPTSMYMNDGYAPPDITNSSSQPVDNHVSPSSFLGQTPASPARYSPVSKAVLGDDEITREPRKVVLHRGSTGLGFNIVGGEDGEGIFISFILAGGPADLSGELRKGDRIISVNSVDLRAASHEQAAAALKNAGQAVTIVAQYRPEEYSRFEAKIHDLREQMMNSSISSGSGSLRTSQKRSLYVRALFDYDKTKDSGLPSQGLNFKFGDILHVINASDDEWWQARQVTPDGESDEVGVIPSKRRVEKKERARLKTVKFNSKTRDKGEIPDDMGSKGLKHVTSNASDSESSYLILITDEYGCSKGGQEEYVLSYEPVNQQEVNYTRPVIILGPMKDRINDDLISEFPDKFGSCVPHTTRPKRDYEVDGRDYHFVTSREQMEKDIQEHKFIEAGQYNNHLYGTSVQSVREVAEKGKHCILDVSGNAIKRLQIAQLYPISIFIKPKSMENIMEMNKRLTEEQARKTFERAMKLEQEFTEHFTAIVQGDTLEDIYNQVKQIIEEQSGSYIWVPAKEKL
					

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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	28.6	Very low	27.3	Very low	232 Å²	232	158.8 Å²	158.8	100%	1.143	82%	0.824	S	S	*	*				0	131.7	0	-66.9	170.5	174.2	0	0	108.3
2	N	25.1	Very low	27.1	Very low	131 Å²	131	164.5 Å²	164.5	70%	0.701	83%	0.83	S	S	*	*			cis	-134.7	149.4	-18.5	-78	-13.7	0	0	0	104.7
3	Y	25.3	Very low	27	Very low	223 Å²	223	159.2 Å²	159.2	88%	0.875	82%	0.818	S	S	*	*				-138.3	158.2	60.7	-87.1	-97	0	0	0	113.6
4	I	28.2	Very low	26.8	Very low	146 Å²	146	166.1 Å²	166.1	75%	0.749	83%	0.828	S	S	*	*			trans	-119	134	167.3	-67.5	167.8	0	0	0	107
5	F	28.6	Very low	26.7	Very low	194 Å²	194	159.5 Å²	159.5	85%	0.851	82%	0.819	S	S	*	*			trans	-163.5	110.5	141	-96.9	-63.1	0	0	0	109
6	G	28.3	Very low	26.7	Very low	62 Å²	62	156.9 Å²	156.9	64%	0.639	82%	0.819	S	S	*	*			trans	-96.9	163.3	142.7	0	0	0	0	0	107.8
7	N	25.9	Very low	26.7	Very low	145 Å²	145	162.8 Å²	162.8	78%	0.775	83%	0.828	S	S	*	*			trans	-148.6	114.8	166.8	-133.6	11.4	0	0	0	110.5
8	N	26.4	Very low	26.6	Very low	166 Å²	166	158.3 Å²	158.3	89%	0.888	83%	0.829	S	S	*	*			trans	-151.5	100.1	173.4	-173.8	13.8	0	0	0	105.9
9	T	30.3	Very low	26.7	Very low	113 Å²	113	153.6 Å²	153.6	69%	0.693	82%	0.823	S	S	*	*			trans	-149.4	127.3	-166.6	-33.2	0	0	0	0	111.8
10	L	26.8	Very low	26.6	Very low	173 Å²	173	153.6 Å²	153.6	91%	0.906	82%	0.823	S	S	*	*			trans	-80.8	158.3	168.8	-76.6	161.7	0	0	0	111.4
11	L	27.1	Very low	26.7	Very low	162 Å²	162	151.9 Å²	151.9	85%	0.848	82%	0.818	S	S	*	*			trans	-87.5	151.1	-179.7	-72.4	165.9	0	0	0	113.1
12	Y	25.2	Very low	26.6	Very low	227 Å²	227	145.6 Å²	145.6	89%	0.89	80%	0.797	S	S	*	*			trans	-143.9	171.2	150.1	-105.3	-75.6	0	0	0	110.9
13	S	24.9	Very low	26.7	Very low	96 Å²	96	144.1 Å²	144.1	67%	0.671	80%	0.797	S	S	*	*			trans	-104	155.1	-140.5	-42.8	0	0	0	0	118.4
14	R	25.1	Very low	26.7	Very low	255 Å²	255	137.6 Å²	137.6	96%	0.962	78%	0.784	S	S	*	*			trans	59.8	138.4	150.4	-74.7	174.3	162.5	164.4	-5.2	119.1
15	G	25.1	Very low	26.7	Very low	67 Å²	67	140.1 Å²	140.1	69%	0.691	79%	0.792	S	S	*	*			cis	160.9	-179.3	-7.2	0	0	0	0	0	114.8
16	S	25.7	Very low	26.5	Very low	118 Å²	118	134.8 Å²	134.8	83%	0.825	79%	0.791	S	S	*	*			trans	81.3	126.6	165.7	-63.1	0	0	0	0	121.5
17	R	27.3	Very low	26.4	Very low	257 Å²	257	137.7 Å²	137.7	97%	0.97	80%	0.802	S	S	*	*			trans	67.8	142.6	164.8	-59.7	175.7	175.5	173.7	-2.4	117.2
18	G	26	Very low	26.4	Very low	82 Å²	82	136 Å²	136	85%	0.845	81%	0.808	S	S	*	*			cis	150.7	127.2	-10.2	0	0	0	0	0	113.9
19	G	27.3	Very low	26.4	Very low	69 Å²	69	131.6 Å²	131.6	71%	0.711	80%	0.802	S	S	*	*			trans	106	126.3	-176.1	0	0	0	0	0	112
20	N	25.8	Very low	27.1	Very low	154 Å²	154	131.8 Å²	131.8	82%	0.824	81%	0.805	S	S	*	*				72.6	130.5	71.1	-75.2	15.1	0	0	0	112.2
21	T	27.9	Very low	27.1	Very low	117 Å²	117	131.9 Å²	131.9	72%	0.718	80%	0.798	S	S	*	*			cis	-160.1	167.1	11.8	-5.7	0	0	0	0	113
22	S	26.2	Very low	27.1	Very low	100 Å²	100	131.9 Å²	131.9	70%	0.699	79%	0.794	S	S	*	*			trans	1.6	148.9	148.9	53.7	0	0	0	0	121.1
23	S	27	Very low	27.3	Very low	100 Å²	100	129.9 Å²	129.9	70%	0.699	79%	0.79	S	S	*	*			cis	-176.1	173.5	-0.3	48.8	0	0	0	0	113.7
24	S	26.2	Very low	27.3	Very low	87 Å²	87	133.8 Å²	133.8	61%	0.608	80%	0.797	S	S	*	*			trans	64.4	114.5	137.7	60.1	0	0	0	0	122.4
25	H	26.9	Very low	27.3	Very low	199 Å²	199	132.3 Å²	132.3	92%	0.921	79%	0.792	S	S	*	*			trans	50	136.1	131.1	-61.6	-77.5	0	0	0	122.5
26	G	25.9	Very low	27.4	Very low	81 Å²	81	133.1 Å²	133.1	84%	0.835	79%	0.792	S	S	*	*			trans	176.4	88.6	163.5	0	0	0	0	0	113.1
27	S	24.9	Very low	27.6	Very low	123 Å²	123	137 Å²	137	86%	0.86	79%	0.794	S	S	*	*			trans	-92.7	157.5	-178.6	-66.4	0	0	0	0	113.8
28	A	27.2	Very low	27.6	Very low	110 Å²	110	134.3 Å²	134.3	91%	0.909	79%	0.79	S	S	*	*			trans	72.1	149.2	152.5	0	0	0	0	0	120.1
29	G	25.6	Very low	27.6	Very low	73 Å²	73	134.2 Å²	134.2	75%	0.753	79%	0.788	S	S	*	*			trans	143.4	114.4	156.9	0	0	0	0	0	115.3
30	P	45.2	Very low	27.6	Very low	118 Å²	118	137 Å²	137	77%	0.766	80%	0.797	S	S	*	*			trans	-129	172.7	-170.3	36.1	-18.9	0	0	0	116.9
31	K	27	Very low	27.7	Very low	174 Å²	174	134.6 Å²	134.6	76%	0.757	79%	0.792	S	S	*	*			trans	116.3	139.7	146.9	-64.3	179.8	-178	-178.9	0	118.8
32	Q	26	Very low	27.8	Very low	162 Å²	162	136.9 Å²	136.9	76%	0.757	80%	0.8	S	S	*	*			trans	58	119	149.9	-67.5	161.8	-90.7	0	0	118.7
33	K	29.6	Very low	28	Very low	186 Å²	186	141.1 Å²	141.1	81%	0.809	81%	0.809	S	S	*	*				68.7	103.7	64.3	-78.3	-166.6	171.2	-175.6	0	114.5
34	H	26.1	Very low	28	Very low	178 Å²	178	144.6 Å²	144.6	82%	0.824	82%	0.819	S	S	*	*				-162.8	-177.5	124.9	-108.8	-71.7	0	0	0	112
35	W	24.3	Very low	28	Very low	223 Å²	223	149.5 Å²	149.5	85%	0.845	83%	0.832	S	S	*	*				-173.2	115.9	-124.6	165.2	25.7	0	0	0	113.1
36	A	28.5	Very low	27.9	Very low	85 Å²	85	144.4 Å²	144.4	70%	0.702	82%	0.824	S	S	*	*			trans	-162.5	115.3	171.5	0	0	0	0	0	117.7
37	K	28.1	Very low	28.1	Very low	199 Å²	199	149.1 Å²	149.1	87%	0.865	83%	0.825	S	S	*	*				61.5	160	128.8	-60.3	175.7	177.8	174.9	0	119.5
38	K	27.3	Very low	28.6	Very low	201 Å²	201	148.6 Å²	148.6	87%	0.874	82%	0.818	S	S	*	*			cis	-161.2	148.3	18.7	-156.7	-176.4	179.6	-170.3	0	113.6
39	G	26.4	Very low	28.8	Very low	79 Å²	79	151.6 Å²	151.6	81%	0.814	81%	0.813	S	S	*	*			trans	82.4	153.9	159.8	0	0	0	0	0	116.6
40	S	26.8	Very low	29.2	Very low	128 Å²	128	152 Å²	152	90%	0.895	80%	0.802	S	S	*	*			cis	-150.6	166.5	-6.3	-164.8	0	0	0	0	110.5
41	S	28.4	Very low	28.9	Very low	104 Å²	104	150.5 Å²	150.5	73%	0.727	80%	0.795	S	S	*	*			trans	-81.2	156.9	-176.4	-47	0	0	0	0	115.1
42	D	29.9	Very low	29.4	Very low	165 Å²	165	152.8 Å²	152.8	88%	0.882	80%	0.799	S	S	*	*				-167.2	163.2	116.8	-92	-16	0	0	0	110.8
43	E	30.1	Very low	29.8	Very low	189 Å²	189	154.4 Å²	154.4	88%	0.883	80%	0.798	S	S	*	*			trans	-101.2	146.4	-170.8	-64.7	179.2	98.6	0	0	114.2
44	L	27.6	Very low	30.1	Very low	173 Å²	173	152.2 Å²	152.2	91%	0.906	79%	0.791	S	S	*	*			trans	-173.1	158.8	134.3	-102.9	164.5	0	0	0	111.2
45	Q	26.4	Very low	30.5	Very low	190 Å²	190	151.3 Å²	151.3	89%	0.888	79%	0.787	S	S	*	*			trans	-95.2	138.8	-171.5	-58.6	168.9	-78.4	0	0	113.5
46	A	25.1	Very low	31.2	Very low	92 Å²	92	146.2 Å²	146.2	76%	0.76	78%	0.775	S	S	*	*			trans	-178.6	141.7	133.4	0	0	0	0	0	112.2
47	E	29.8	Very low	31.5	Very low	180 Å²	180	147.7 Å²	147.7	84%	0.841	78%	0.775	S	S	*	*			trans	55.2	141.6	165.9	-60.8	-51.8	99.1	0	0	121.8
48	P	35.3	Very low	31.7	Very low	111 Å²	111	142.2 Å²	142.2	72%	0.721	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-90.6	147.3	179.1	35.8	-34.5	0	0	0	114.4
49	E	30.9	Very low	31.9	Very low	174 Å²	174	141.3 Å²	141.3	81%	0.813	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-54.3	140.3	173.9	-86.9	-86.9	111.3	0	0	113.9
50	P	35.3	Very low	32.1	Very low	80 Å²	80	147 Å²	147	52%	0.519	77%	0.766	S	S	.	*	P	Polyproline II helix	trans	-71.2	142.3	178.3	29.6	-34.6	0	0	0	112.6
51	S	37.7	Very low	32.1	Very low	87 Å²	87	146.8 Å²	146.8	61%	0.608	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-66.4	161.3	-174.4	79.3	0	0	0	0	114.6	W53 Q54	S51-W53 PolarHBondContact O-N 3.21Å; S51-Q54 PolarHBondContact O-N 2.73Å
52	R	37.6	Very low	32	Very low	222 Å²	222	153.2 Å²	153.2	84%	0.838	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.3	-5	-174.6	-168	169.1	177.2	167.3	-1.2	117.4
53	W	34.9	Very low	31.9	Very low	197 Å²	197	157.4 Å²	157.4	75%	0.746	77%	0.771	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.4	-23.9	177.2	-77.3	102.5	0	0	0	114.7	S51 Q55 I56	S51-W53 PolarHBondContact O-N 3.21Å; W53-Q55 PolarHBondContact O-N 2.72Å; W53-I56 HydrophobicContact CE3-CD1 4.34Å; W53-I56 HydrophobicContact CZ3-CD1 4.41Å
54	Q	35.2	Very low	31.8	Very low	139 Å²	139	156.9 Å²	156.9	65%	0.65	77%	0.768	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.9	-17.8	-179.5	-72.6	-173	-15.1	0	0	114.2	S51 I56	S51-Q54 PolarHBondContact O-N 2.73Å; Q54-I56 VanDerWaalsContact C-N 3.31Å; Q54-I56 PolarHBondContact O-N 3.18Å
55	Q	36.1	Very low	31.7	Very low	159 Å²	159	152.7 Å²	152.7	74%	0.743	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78	-9.8	177.5	-70.1	-178.2	-8	0	0	114.2	W53	W53-Q55 PolarHBondContact O-N 2.72Å
56	I	37.6	Very low	31.6	Very low	116 Å²	116	151.9 Å²	151.9	60%	0.595	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91	-27.8	-177.7	-63.2	177.3	0	0	0	112	W53 Q54 A58	W53-I56 HydrophobicContact CE3-CD1 4.34Å; W53-I56 HydrophobicContact CZ3-CD1 4.41Å; Q54-I56 VanDerWaalsContact C-N 3.31Å; Q54-I56 PolarHBondContact O-N 3.18Å; I56-A58 VanDerWaalsContact C-N 3.28Å; I56-A58 PolarHBondContact O-N 2.78Å
57	V	34.8	Very low	31.5	Very low	117 Å²	117	155.5 Å²	155.5	71%	0.709	75%	0.752	S	S	*	*	G	3₁₀ helix	trans	-72.9	-21.8	-178	-174.4	0	0	0	0	112.3	F59	V57-F59 VanDerWaalsContact C-N 3.27Å; V57-F59 PolarHBondContact O-N 3.35Å
58	A	32.5	Very low	31.2	Very low	83 Å²	83	152.3 Å²	152.3	69%	0.686	74%	0.741	S	S	*	*	G	3₁₀ helix	trans	-78.6	6.1	-175.4	0	0	0	0	0	115.7	I56	I56-A58 VanDerWaalsContact C-N 3.28Å; I56-A58 PolarHBondContact O-N 2.78Å
59	F	31	Very low	30.6	Very low	182 Å²	182	152.6 Å²	152.6	80%	0.798	74%	0.744	S	S	*	*	G	3₁₀ helix	trans	-103.3	-6.8	-175.4	-127.5	-86.6	0	0	0	115.5	V57	V57-F59 VanDerWaalsContact C-N 3.27Å; V57-F59 PolarHBondContact O-N 3.35Å
60	F	30.8	Very low	30.3	Very low	200 Å²	200	152.8 Å²	152.8	88%	0.877	75%	0.749	S	S	*	*	S	Bend	trans	-125.6	51.7	-179.3	-90.9	-81.7	0	0	0	113.1
61	T	28.4	Very low	29.8	Very low	122 Å²	122	153.5 Å²	153.5	75%	0.748	76%	0.755	S	S	*	*			trans	-146.8	142.7	161.5	-33.7	0	0	0	0	110.8
62	R	26	Very low	29.3	Very low	239 Å²	239	156 Å²	156	90%	0.902	77%	0.767	S	S	*	*			trans	73.6	92.6	179.4	-55.3	-177.5	174.5	-167.6	-1.7	117.8
63	R	27.4	Very low	28.7	Very low	253 Å²	253	149 Å²	149	96%	0.955	76%	0.756	S	S	*	*				-147.2	155	111.4	-115.2	176.8	178.3	167.4	0.4	110.1
64	H	27.4	Very low	28.2	Very low	178 Å²	178	145.7 Å²	145.7	82%	0.824	76%	0.758	S	S	*	*			trans	-155.2	143.1	-163.6	-134.1	-75.1	0	0	0	112
65	S	25.4	Very low	27.9	Very low	85 Å²	85	144.6 Å²	144.6	59%	0.594	77%	0.766	S	S	*	*			trans	79	146.5	152	-49.6	0	0	0	0	122.8
66	F	23.7	Very low	27.5	Very low	173 Å²	173	141.9 Å²	141.9	76%	0.759	76%	0.764	S	S	*	*			trans	70	144.4	166.7	-64.7	-70.3	0	0	0	117.8	D68	F66-D68 VanDerWaalsContact CD1-OD2 3.26Å; F66-D68 WeakPolarHBondContact CD1-OD2 3.37Å; F66-D68 WeakPolarHBondContact CE1-OD2 3.32Å
67	I	24.1	Very low	27.1	Very low	169 Å²	169	143.2 Å²	143.2	87%	0.867	78%	0.778	S	S	*	*			cis	-123.8	161.1	26.4	-72.4	171	0	0	0	114
68	D	23.3	Very low	26.9	Very low	113 Å²	113	146.5 Å²	146.5	60%	0.604	79%	0.786	S	S	*	*			trans	-92	179.5	-173.1	-50.3	-85.9	0	0	0	117.6	F66	F66-D68 VanDerWaalsContact CD1-OD2 3.26Å; F66-D68 WeakPolarHBondContact CD1-OD2 3.37Å; F66-D68 WeakPolarHBondContact CE1-OD2 3.32Å
69	C	22.2	Very low	27.3	Very low	117 Å²	117	147.8 Å²	147.8	79%	0.791	79%	0.787	S	S	*	*			trans	74.7	106.2	147.3	-74.1	0	0	0	0	122.2
70	I	25.9	Very low	27.2	Very low	178 Å²	178	146.1 Å²	146.1	91%	0.913	79%	0.792	S	S	*	*				-134	153.4	120.8	-67.4	-168.9	0	0	0	107.7
71	S	24.7	Very low	27.1	Very low	94 Å²	94	145.6 Å²	145.6	66%	0.657	79%	0.792	S	S	*	*			trans	-144.5	170.1	-167.7	55.6	0	0	0	0	114
72	V	25.6	Very low	27.2	Very low	141 Å²	141	144 Å²	144	86%	0.855	79%	0.792	S	S	*	*			trans	75	139.9	172.3	-159.2	0	0	0	0	112.3
73	A	24.9	Very low	27.4	Very low	74 Å²	74	139.5 Å²	139.5	61%	0.612	79%	0.791	S	S	*	*			cis	-148.9	155.4	25.6	0	0	0	0	0	115.7
74	T	25.3	Very low	27.8	Very low	128 Å²	128	135.2 Å²	135.2	79%	0.785	79%	0.786	S	S	*	*			trans	29.1	146.9	134.8	57.1	0	0	0	0	122.6
75	S	27.9	Very low	28.4	Very low	115 Å²	115	132.8 Å²	132.8	80%	0.804	79%	0.786	S	S	*	*			cis	-166.6	165.4	4.2	37.3	0	0	0	0	113.4
76	S	28.1	Very low	29	Very low	102 Å²	102	134 Å²	134	71%	0.713	79%	0.794	S	S	*	*			trans	-69.2	153.9	175.1	173.9	0	0	0	0	115.1
77	T	29.1	Very low	29.9	Very low	144 Å²	144	131.2 Å²	131.2	88%	0.883	79%	0.793	S	S	*	*			trans	-160.3	168.2	130.7	6.2	0	0	0	0	111.6
78	Q	31.4	Very low	30.9	Very low	186 Å²	186	129.3 Å²	129.3	87%	0.869	79%	0.792	S	S	*	*			trans	-113	-176.1	-167.1	-113.8	-161.7	-21.5	0	0	112.6
79	P	40.8	Very low	31.4	Very low	111 Å²	111	130.6 Å²	130.6	72%	0.721	80%	0.804	S	S	*	*			trans	-95.2	168.1	-147.7	39.9	-39.7	0	0	0	116.1
80	T	27.8	Very low	31.9	Very low	147 Å²	147	130.8 Å²	130.8	90%	0.902	80%	0.801	S	S	*	*			trans	-140.1	152.9	160.5	-36.6	0	0	0	0	110.6
81	E	30.3	Very low	32.7	Very low	188 Å²	188	128 Å²	128	88%	0.879	80%	0.795	S	S	*	*			trans	-109.4	135.6	-172.6	169.1	-175.8	-150.5	0	0	111.2
82	A	29.1	Very low	33	Very low	89 Å²	89	129.7 Å²	129.7	74%	0.736	80%	0.801	S	S	*	*			trans	178.2	124.3	151.9	0	0	0	0	0	115.5
83	V	31	Very low	33.4	Very low	145 Å²	145	130.3 Å²	130.3	88%	0.879	80%	0.798	S	S	*	*			trans	62.6	136.9	134.3	-176.1	0	0	0	0	121.8
84	L	35.8	Very low	34.2	Very low	163 Å²	163	132.4 Å²	132.4	85%	0.853	81%	0.805	S	S	*	*			trans	-91.7	159	175	-66.9	162.7	0	0	0	113.7
85	P	39.4	Very low	34.5	Very low	127 Å²	127	132.6 Å²	132.6	83%	0.825	81%	0.806	S	S	*	*			trans	-120.5	156.5	144.8	36.1	-27	0	0	0	113.6
86	S	38	Very low	34.7	Very low	111 Å²	111	134.5 Å²	134.5	78%	0.776	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-97.6	161.7	-172.8	51.6	0	0	0	0	114.5
87	P	44	Very low	35.5	Very low	114 Å²	114	135.4 Å²	135.4	74%	0.74	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-75.5	162.5	179.2	31.9	-37.1	0	0	0	114.2
88	P	45.1	Very low	35.8	Very low	128 Å²	128	134.7 Å²	134.7	83%	0.831	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-85.9	159.6	-175.5	34.5	-36.5	0	0	0	115.4
89	T	32.5	Very low	36.3	Very low	141 Å²	141	131.8 Å²	131.8	87%	0.865	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-92.8	153.7	-172.5	-48.2	0	0	0	0	114.1
90	V	33.5	Very low	35.8	Very low	121 Å²	121	130.9 Å²	130.9	73%	0.733	80%	0.804	S	S	*	*			trans	-121.1	139.6	170.4	-179	0	0	0	0	109.7
91	P	41.6	Very low	35.9	Very low	120 Å²	120	131.8 Å²	131.8	78%	0.779	80%	0.798	S	S	*	*			trans	-84.5	168	-175	34.1	-36.9	0	0	0	115.1
92	V	31.6	Very low	35.8	Very low	129 Å²	129	129.2 Å²	129.2	78%	0.782	79%	0.79	S	S	*	*			trans	-145.5	173.4	-170.6	-171.4	0	0	0	0	110.5
93	I	34.3	Very low	35.8	Very low	153 Å²	153	130.3 Å²	130.3	79%	0.785	79%	0.788	S	S	*	*			trans	92	143	165.4	-54.2	166.6	0	0	0	114.6
94	P	42.1	Very low	35.7	Very low	118 Å²	118	129.4 Å²	129.4	77%	0.766	78%	0.783	S	S	*	*			cis	-121.6	-166.2	-5.2	29.4	-7	0	0	0	114.9
95	V	32	Very low	35.4	Very low	133 Å²	133	129.3 Å²	129.3	81%	0.806	78%	0.781	S	S	*	*			trans	-140.8	166.7	-179.2	-167.6	0	0	0	0	111.4
96	L	31.9	Very low	35	Very low	155 Å²	155	130.8 Å²	130.8	81%	0.812	78%	0.781	S	S	*	*			trans	86.3	157.6	168.8	-59.4	178.2	0	0	0	117.4
97	P	44.2	Very low	35	Very low	121 Å²	121	130.4 Å²	130.4	79%	0.786	78%	0.776	S	S	*	*			cis	-127.8	-169.1	7.7	43.1	-27.3	0	0	0	116.5
98	V	35.6	Very low	34.3	Very low	128 Å²	128	131.1 Å²	131.1	78%	0.776	78%	0.779	S	S	*	*			trans	-120.4	148.7	-176.9	176	0	0	0	0	111.6
99	P	41.9	Very low	33.8	Very low	125 Å²	125	132.3 Å²	132.3	81%	0.812	78%	0.776	S	S	*	*			trans	-124.5	175.2	153.2	38.2	-26.1	0	0	0	113.3
100	A	30.3	Very low	33.8	Very low	92 Å²	92	131.4 Å²	131.4	76%	0.76	77%	0.773	S	S	*	*			trans	-140.1	171.1	-164.4	0	0	0	0	0	116.4
101	E	30.2	Very low	33.5	Very low	167 Å²	167	134.9 Å²	134.9	78%	0.78	78%	0.781	S	S	*	*			trans	57.3	123.8	160.3	-57.1	-176.6	166.6	0	0	121.9
102	N	28.3	Very low	32.9	Very low	133 Å²	133	132.6 Å²	132.6	71%	0.711	77%	0.773	S	S	*	*				169	136	101.3	-97.1	-68.3	0	0	0	118.1
103	T	29.3	Very low	32.6	Very low	112 Å²	112	133.8 Å²	133.8	69%	0.687	78%	0.775	S	S	*	*			trans	64.8	103.1	132.9	-57.2	0	0	0	0	125.1
104	V	28.6	Very low	32.7	Very low	127 Å²	127	132 Å²	132	77%	0.77	77%	0.773	S	S	*	*				46	133.2	125.9	-170.3	0	0	0	0	123.2
105	I	29.2	Very low	32.5	Very low	161 Å²	161	131.4 Å²	131.4	83%	0.826	77%	0.769	S	S	*	*				179.5	154.6	127	-93.6	163	0	0	0	112
106	L	30.6	Very low	32.4	Very low	158 Å²	158	131.2 Å²	131.2	83%	0.827	77%	0.771	S	S	*	*			trans	-147.5	133.4	-176	-150.8	179.1	0	0	0	112
107	P	39.2	Very low	32.3	Very low	103 Å²	103	129.7 Å²	129.7	67%	0.669	77%	0.768	S	S	*	*			trans	-145.3	170.1	143.8	36.5	-20.9	0	0	0	113.1
108	T	29.4	Very low	31.4	Very low	129 Å²	129	131.9 Å²	131.9	79%	0.791	77%	0.772	S	S	*	*			cis	175.9	155.1	-18.6	-76.9	0	0	0	0	105.2
109	I	34	Very low	30.9	Very low	152 Å²	152	131.3 Å²	131.3	78%	0.779	77%	0.768	S	S	*	*			trans	-116.3	151.1	-169.5	-52	170.7	0	0	0	112.8
110	P	31.6	Very low	30.2	Very low	123 Å²	123	132.6 Å²	132.6	80%	0.799	77%	0.768	S	S	*	*			trans	-132.7	-177.9	151.7	30.7	-11.8	0	0	0	115.5
111	Q	28.1	Very low	30	Very low	193 Å²	193	134.2 Å²	134.2	90%	0.902	77%	0.769	S	S	*	*			trans	-136	170.1	-162	-76	-177.6	-11.7	0	0	113.1
112	A	28.2	Very low	29.8	Very low	73 Å²	73	133.1 Å²	133.1	60%	0.603	77%	0.769	S	S	*	*			cis	-178.9	-178.5	-26	0	0	0	0	0	110.1
113	N	25	Very low	29.7	Very low	153 Å²	153	131.3 Å²	131.3	82%	0.818	77%	0.766	S	S	*	*			trans	73.7	166.6	157.9	-69.2	-4.2	0	0	0	118.1
114	P	36.6	Very low	29.6	Very low	116 Å²	116	134.5 Å²	134.5	75%	0.753	78%	0.778	S	S	*	*				-129.6	-133	-81.5	30.5	-5.8	0	0	0	114.8
115	P	38	Very low	29.6	Very low	105 Å²	105	136.6 Å²	136.6	68%	0.682	78%	0.78	S	S	*	*				-109.8	-171.3	-102.4	40.5	-24.4	0	0	0	114.8
116	P	30.1	Very low	29.3	Very low	129 Å²	129	135 Å²	135	84%	0.838	78%	0.778	S	S	*	*				-146.6	-173.6	104.1	39.3	-22.9	0	0	0	115.9
117	V	29.3	Very low	29.2	Very low	124 Å²	124	133.4 Å²	133.4	75%	0.752	78%	0.777	S	S	*	*			trans	-135.5	143.4	-168.3	173.1	0	0	0	0	112.5
118	L	26.1	Very low	29.1	Very low	166 Å²	166	134.5 Å²	134.5	87%	0.869	78%	0.782	S	S	*	*			trans	-162.3	149.7	149.2	-78.3	-174.9	0	0	0	108.1
119	V	25.5	Very low	29	Very low	117 Å²	117	139 Å²	139	71%	0.709	79%	0.785	S	S	*	*			cis	176.6	155.2	-26	136.1	0	0	0	0	105
120	N	27.8	Very low	28.8	Very low	151 Å²	151	138.7 Å²	138.7	81%	0.807	79%	0.791	S	S	*	*			trans	-99.2	168.3	-165.3	-45.6	-29	0	0	0	115
121	T	25.2	Very low	28.7	Very low	127 Å²	127	140.1 Å²	140.1	78%	0.779	79%	0.791	S	S	*	*			trans	-153.2	121	138.9	40.4	0	0	0	0	112.5
122	D	25.9	Very low	28.9	Very low	144 Å²	144	134.1 Å²	134.1	77%	0.77	78%	0.782	S	S	*	*			trans	53.6	154.8	139.2	-65.2	-53.6	0	0	0	124.7
123	S	26	Very low	29.5	Very low	95 Å²	95	135.3 Å²	135.3	66%	0.664	78%	0.782	S	S	*	*			cis	178.1	132.4	-32.3	-97	0	0	0	0	109.2
124	L	27.6	Very low	30.6	Very low	178 Å²	178	132.8 Å²	132.8	93%	0.932	77%	0.768	S	S	*	*			trans	-176.3	128.7	153.2	-107.9	164.2	0	0	0	110.7
125	E	27.4	Very low	31.1	Very low	172 Å²	172	130.1 Å²	130.1	80%	0.804	76%	0.756	S	S	*	*			trans	-99.2	156.5	-176.5	-59.6	-179.2	127.1	0	0	111.8
126	T	24.7	Very low	32.2	Very low	128 Å²	128	129.7 Å²	129.7	79%	0.785	75%	0.748	S	S	*	*				170.9	167.6	86.8	35.9	0	0	0	0	109.5
127	P	28.2	Very low	34.4	Very low	124 Å²	124	127.3 Å²	127.3	81%	0.805	72%	0.723	S	S	*	*			cis	-123.1	178.9	-30	37.9	-23.5	0	0	0	112
128	T	36.6	Very low	36.9	Very low	126 Å²	126	124.4 Å²	124.4	77%	0.773	70%	0.701	S	S	*	*			trans	-102.2	145.6	179.1	44.9	0	0	0	0	113.3
129	Y	27.5	Very low	39.9	Very low	222 Å²	222	120.1 Å²	120.1	87%	0.871	67%	0.674	S	S	*	*			trans	162.7	105	135.6	-107.6	-85.2	0	0	0	112.1
130	V	28.9	Very low	43	Very low	147 Å²	147	117 Å²	117	89%	0.891	65%	0.651	S	S	*	*				-160	134.4	118.2	-162.8	0	0	0	0	106.1
131	N	30.4	Very low	46.1	Very low	152 Å²	152	113.5 Å²	113.5	81%	0.813	63%	0.63	S	S	*	*			trans	-106.1	85.9	-176.5	-163.3	17.5	0	0	0	112.2
132	G	32.9	Very low	49.5	Very low	68 Å²	68	107.5 Å²	107.5	70%	0.701	59%	0.593	S	S	*	*			trans	-114.9	118.6	165.2	0	0	0	0	0	109.3	D134	G132-D134 PolarHBondContact O-N 2.74Å
133	T	39.9	Very low	52.8	Low	98 Å²	98	103.2 Å²	103.2	60%	0.601	57%	0.572	S	S	*	*			trans	-75.1	123.7	-172.6	44.2	0	0	0	0	112.2	A135	T133-A135 PolarHBondContact O-N 2.69Å
134	D	47.3	Very low	56	Low	99 Å²	99	98.9 Å²	98.9	53%	0.529	54%	0.542	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	20.8	-179.7	-160.6	38.2	0	0	0	114.4	G132 Y139 K225	G132-D134 PolarHBondContact O-N 2.74Å; D134-Y139 WeakPolarHBondContact OD1-CE2 3.43Å; D134-Y139 PolarHBondContact OD1-OH 2.83Å; D134-K225 IonicContact OD1-NZ 3.71Å
135	A	47.8	Very low	59	Low	60 Å²	60	97.2 Å²	97.2	50%	0.496	53%	0.529	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-31.9	-176.2	0	0	0	0	0	113.2	T133 Y137 K228	T133-A135 PolarHBondContact O-N 2.69Å; A135-Y137 VanDerWaalsContact C-N 3.32Å; A135-Y137 PolarHBondContact O-N 2.75Å; A135-K228 WeakPolarHBondContact O-CD 3.27Å; A135-K228 PolarHBondContact O-NZ 3.38Å
136	D	61.4	Low	62	Low	97 Å²	97	92.8 Å²	92.8	52%	0.519	51%	0.505	S	S	.	.	S	Bend	trans	-83.8	-3.3	-167.1	-58.8	-35	0	0	0	114.7	K228	D136-K228 PolarHBondContact O-N 2.81Å
137	Y	76.1	Confident	64.6	Low	78 Å²	78	88.4 Å²	88.4	31%	0.306	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	149.4	-176.4	-67	-93.9	0	0	0	111.9	A135 K225 R226 R227 K228	A135-Y137 VanDerWaalsContact C-N 3.32Å; A135-Y137 PolarHBondContact O-N 2.75Å; Y137-K225 HydrophobicContact CD1-CD 4Å; Y137-K225 HydrophobicContact CD1-CG 3.72Å; Y137-K225 HydrophobicContact CG-CD 4.31Å; Y137-K225 HydrophobicContact CG-CG 4.21Å; Y137-R226 CarbonylContact C-O 3.08Å; Y137-R226 VanDerWaalsContact CA-O 3.3Å; Y137-R226 WeakPolarHBondContact CA-O 3.27Å; Y137-R226 WeakPolarHBondContact CD1-O 3.45Å; Y137-R227 HydrophobicContact CD1-CG 3.81Å; Y137-R227 HydrophobicContact CE1-CB 4.49Å; Y137-R227 HydrophobicContact CE1-CG 3.34Å; Y137-K228 WeakPolarHBondContact O-CE 3.23Å; Y137-K228 PolarHBondContact O-NZ 2.9Å
138	E	81.7	Confident	66.8	Low	64 Å²	64	91.5 Å²	91.5	30%	0.299	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	147.9	165.2	63	-179.1	-147.7	0	0	109.8	R188 K225 R226 K228	E138-R188 IonicContact OE1-NH1 3.49Å; E138-R188 PolarHBondContact OE1-NH1 3.12Å; E138-K225 WeakPolarHBondContact O-CA 3.41Å; E138-R226 HydrophobicContact CG-CG 3.46Å; E138-R226 VanDerWaalsContact CG-CG 3.46Å; E138-R226 PolarHBondContact N-O 3.36Å; E138-R226 PolarHBondContact O-N 3.19Å; E138-R226 VanDerWaalsContact OE1-CD 3.29Å; E138-R226 WeakPolarHBondContact OE1-CD 3.26Å; E138-R226 IonicContact OE1-NH1 3.92Å; E138-R226 PolarHBondContact OE1-NH1 3.45Å; E138-K228 HydrophobicContact CB-CG 4.08Å; E138-K228 HydrophobicContact CG-CG 4.35Å
139	Y	89.5	Confident	68.6	Low	76 Å²	76	90 Å²	90	30%	0.298	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	136.2	-178.7	-61.1	-97.8	0	0	0	108.9	D134 L194 Y223 V224 K225	D134-Y139 WeakPolarHBondContact OD1-CE2 3.43Å; D134-Y139 PolarHBondContact OD1-OH 2.83Å; Y139-L194 HydrophobicContact CD1-CD1 3.96Å; Y139-L194 HydrophobicContact CE1-CD1 3.76Å; Y139-Y223 WeakPolarHBondContact CB-OH 3.36Å; Y139-Y223 HydrophobicContact CD1-CE1 4.06Å; Y139-V224 CarbonylContact C-O 3.56Å; Y139-V224 VanDerWaalsContact CA-O 3.27Å; Y139-V224 WeakPolarHBondContact CA-O 3.47Å; Y139-K225 HydrophobicContact CD1-CB 3.81Å; Y139-K225 HydrophobicContact CD1-CD 4.41Å; Y139-K225 HydrophobicContact CD1-CG 4.08Å; Y139-K225 HydrophobicContact CE1-CB 3.85Å; Y139-K225 HydrophobicContact CE1-CD 3.59Å; Y139-K225 HydrophobicContact CE1-CG 3.73Å; Y139-K225 WeakPolarHBondContact OH-CE 3.34Å; Y139-K225 PolarHBondContact OH-NZ 2.94Å
140	E	90.4	Very high	71.4	Confident	50 Å²	50	80.4 Å²	80.4	23%	0.234	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	141.3	-176.2	-166.4	176.6	179.1	0	0	110.5	I142 V224 R226	E140-I142 HydrophobicContact CB-CG1 4.44Å; E140-I142 HydrophobicContact CG-CD1 4.36Å; E140-I142 HydrophobicContact CG-CG1 3.88Å; E140-V224 HydrophobicContact CB-CG2 3.99Å; E140-V224 PolarHBondContact N-O 2.89Å; E140-V224 PolarHBondContact O-N 3.27Å; E140-R226 IonicContact OE2-CZ 3.69Å; E140-R226 IonicContact OE2-NH1 3.77Å; E140-R226 PolarHBondContact OE2-NH1 2.98Å; E140-R226 IonicContact OE2-NH2 2.78Å; E140-R226 PolarHBondContact OE2-NH2 3.39Å; E140-R226 VanDerWaalsContact OE2-NH2 3.09Å
141	E	93.6	Very high	74.3	Confident	79 Å²	79	74.1 Å²	74.1	37%	0.369	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	117.3	167.9	-167.6	174.6	86.5	0	0	110.3	R195 L222 Y223	E141-R195 IonicContact OE2-CZ 3.43Å; E141-R195 IonicContact OE2-NH1 3.23Å; E141-R195 PolarHBondContact OE2-NH1 2.91Å; E141-R195 IonicContact OE2-NH2 2.69Å; E141-R195 PolarHBondContact OE2-NH2 3.35Å; E141-L222 WeakPolarHBondContact CA-O 3.25Å; E141-Y223 HydrophobicContact CB-CD2 4.21Å
142	I	95.4	Very high	77.2	Confident	0 Å²	0	67 Å²	67	0%	0	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	121	-174.6	-56.2	173.7	0	0	0	107.9	E140 L144 R186 L187 R221 L222 V224	E140-I142 HydrophobicContact CB-CG1 4.44Å; E140-I142 HydrophobicContact CG-CD1 4.36Å; E140-I142 HydrophobicContact CG-CG1 3.88Å; I142-L144 HydrophobicContact CG2-CD2 3.9Å; I142-L144 HydrophobicContact CG2-CG 4.08Å; I142-R186 HydrophobicContact CD1-CB 4.04Å; I142-R186 HydrophobicContact CG1-CB 4.27Å; I142-R186 HydrophobicContact CG2-CB 4.44Å; I142-L187 HydrophobicContact CD1-CB 4.11Å; I142-L187 HydrophobicContact CD1-CD1 3.87Å; I142-R221 CarbonylContact O-C 3.56Å; I142-R221 WeakPolarHBondContact O-CA 3.42Å; I142-L222 PolarHBondContact N-O 3.14Å; I142-L222 PolarHBondContact O-N 3.35Å; I142-V224 HydrophobicContact CD1-CG2 3.83Å; I142-V224 HydrophobicContact CG1-CG2 4.43Å
143	T	94.9	Very high	80.1	Confident	54 Å²	54	65 Å²	65	33%	0.331	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	120.1	176	-59.3	0	0	0	0	109.1	I219 R221	T143-I219 HydrophobicContact CG2-CG2 3.55Å; T143-R221 HydrophobicContact CG2-CG 4.21Å
144	L	94.4	Very high	82.5	Confident	4 Å²	4	62.6 Å²	62.6	2%	0.021	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	139.4	179.6	-60.2	177.1	0	0	0	110.7	I142 L151 F153 A181 D184 L187 V220 L222	I142-L144 HydrophobicContact CG2-CD2 3.9Å; I142-L144 HydrophobicContact CG2-CG 4.08Å; L144-L151 HydrophobicContact CB-CD2 4.36Å; L144-F153 HydrophobicContact CD1-CD1 4.25Å; L144-F153 HydrophobicContact CD1-CE1 3.88Å; L144-A181 HydrophobicContact CD1-CB 3.91Å; L144-D184 HydrophobicContact CD2-CB 3.46Å; L144-D184 VanDerWaalsContact CD2-CB 3.46Å; L144-L187 HydrophobicContact CD1-CD2 4.32Å; L144-V220 PolarHBondContact N-O 2.95Å; L144-V220 PolarHBondContact O-N 2.6Å; L144-L222 HydrophobicContact CD1-CD1 4.02Å
145	E	90.8	Very high	84.7	Confident	144 Å²	144	59.2 Å²	59.2	67%	0.673	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.9	139.2	168.6	-168.6	170.4	-172.3	0	0	110.5	G147 A180 S218	E145-G147 PolarHBondContact O-N 3.4Å; E145-A180 WeakPolarHBondContact O-CB 3.45Å; E145-S218 CarbonylContact C-O 3.57Å; E145-S218 WeakPolarHBondContact CA-O 3.35Å
146	R	89.9	Confident	86.3	Confident	79 Å²	79	57 Å²	57	30%	0.298	31%	0.305	S	S	.	.			trans	-81.8	99.8	-176.2	-168.8	-172.9	-56.3	-97.4	-3.2	110.6	L151 L213 G217 S218	R146-L151 HydrophobicContact CB-CD2 4Å; R146-L151 HydrophobicContact CG-CD2 4.23Å; R146-L213 PolarHBondContact NH1-O 3.07Å; R146-L213 VanDerWaalsContact NH1-O 3.09Å; R146-L213 PolarHBondContact NH2-O 2.75Å; R146-G217 VanDerWaalsContact CZ-O 3.23Å; R146-G217 PolarHBondContact NE-O 3.15Å; R146-G217 PolarHBondContact NH2-O 3.45Å; R146-S218 PolarHBondContact N-O 3.48Å
147	G	79.6	Confident	87.5	Confident	36 Å²	36	52.4 Å²	52.4	37%	0.371	28%	0.281	S	S	.	.	B	Isolated β-bridge	trans	-69.2	176.5	172.8	0	0	0	0	0	113.8	E145 S149 G150	E145-G147 PolarHBondContact O-N 3.4Å; G147-S149 PolarHBondContact O-N 2.86Å; G147-G150 PolarHBondContact N-O 2.95Å; G147-G150 PolarHBondContact O-N 3.38Å
148	N	73.9	Confident	87.9	Confident	188 Å²	188	48.7 Å²	48.7	100%	1.005	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-20.9	-177.5	-67.8	-10.4	0	0	0	114.7
149	S	73.9	Confident	88.1	Confident	96 Å²	96	49.3 Å²	49.3	67%	0.671	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.2	12.4	176	53.4	0	0	0	0	113.7	G147	G147-S149 PolarHBondContact O-N 2.86Å
150	G	87.4	Confident	87.8	Confident	20 Å²	20	49.8 Å²	49.8	21%	0.206	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	88.2	-152.6	-174.2	0	0	0	0	0	112.9	G147 G152	G147-G150 PolarHBondContact N-O 2.95Å; G147-G150 PolarHBondContact O-N 3.38Å; G150-G152 VanDerWaalsContact C-N 3.33Å; G150-G152 PolarHBondContact O-N 3.13Å
151	L	90	Very high	87.2	Confident	15 Å²	15	51.7 Å²	51.7	8%	0.079	29%	0.294	C	S	.	.	S	Bend	trans	-81.4	-8.1	-175.5	-59.4	171.6	0	0	0	114	L144 R146 F153 A181 L213 V220	L144-L151 HydrophobicContact CB-CD2 4.36Å; R146-L151 HydrophobicContact CB-CD2 4Å; R146-L151 HydrophobicContact CG-CD2 4.23Å; L151-F153 HydrophobicContact CB-CD1 3.75Å; L151-F153 HydrophobicContact CB-CE1 3.43Å; L151-F153 VanDerWaalsContact CB-CE1 3.43Å; L151-F153 HydrophobicContact CB-CZ 4.26Å; L151-F153 HydrophobicContact CD1-CE1 3.82Å; L151-F153 HydrophobicContact CD1-CZ 3.91Å; L151-F153 HydrophobicContact CG-CE1 4.24Å; L151-A181 WeakPolarHBondContact O-CB 3.42Å; L151-A181 PolarHBondContact O-N 3.36Å; L151-L213 HydrophobicContact CD1-CD2 4.09Å; L151-V220 HydrophobicContact CD1-CB 4.27Å; L151-V220 HydrophobicContact CD1-CG1 4.17Å; L151-V220 HydrophobicContact CD1-CG2 4.1Å; L151-V220 HydrophobicContact CD2-CB 4.03Å; L151-V220 HydrophobicContact CD2-CG2 3.75Å
152	G	90.6	Very high	86.4	Confident	3 Å²	3	50.7 Å²	50.7	3%	0.031	29%	0.294	C	S	.	.	S	Bend	trans	74.9	24.3	175.7	0	0	0	0	0	115.7	G150 I176	G150-G152 VanDerWaalsContact C-N 3.33Å; G150-G152 PolarHBondContact O-N 3.13Å; G152-I176 WeakPolarHBondContact O-CB 3.35Å; G152-I176 PolarHBondContact O-N 3.45Å
153	F	93.6	Very high	85.1	Confident	26 Å²	26	54.8 Å²	54.8	11%	0.114	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	169.5	171.9	64.7	-95.5	0	0	0	111.9	L144 L151 I155 I172 K174 A181 L187 I193 L213 L222	L144-F153 HydrophobicContact CD1-CD1 4.25Å; L144-F153 HydrophobicContact CD1-CE1 3.88Å; L151-F153 HydrophobicContact CB-CD1 3.75Å; L151-F153 HydrophobicContact CB-CE1 3.43Å; L151-F153 VanDerWaalsContact CB-CE1 3.43Å; L151-F153 HydrophobicContact CB-CZ 4.26Å; L151-F153 HydrophobicContact CD1-CE1 3.82Å; L151-F153 HydrophobicContact CD1-CZ 3.91Å; L151-F153 HydrophobicContact CG-CE1 4.24Å; F153-I155 HydrophobicContact CD2-CG2 3.94Å; F153-I155 HydrophobicContact CE2-CG2 3.73Å; F153-I172 HydrophobicContact CB-CG2 4.41Å; F153-I172 HydrophobicContact CD2-CD1 3.44Å; F153-I172 VanDerWaalsContact CD2-CD1 3.44Å; F153-I172 HydrophobicContact CE2-CD1 3.6Å; F153-I172 HydrophobicContact CG-CD1 4.1Å; F153-I172 HydrophobicContact CZ-CD1 4.36Å; F153-K174 CarbonylContact C-O 3.46Å; F153-K174 VanDerWaalsContact CA-O 3.23Å; F153-K174 WeakPolarHBondContact CA-O 3.46Å; F153-K174 WeakPolarHBondContact CB-O 3.24Å; F153-A181 HydrophobicContact CB-CB 4.33Å; F153-A181 HydrophobicContact CD1-CB 3.89Å; F153-L187 HydrophobicContact CB-CD2 4.18Å; F153-L187 HydrophobicContact CD1-CD2 3.64Å; F153-L187 HydrophobicContact CE1-CD2 4.04Å; F153-L187 HydrophobicContact CG-CD2 3.89Å; F153-I193 HydrophobicContact CE2-CD1 4.1Å; F153-I193 HydrophobicContact CZ-CD1 4.48Å; F153-L213 HydrophobicContact CE2-CD1 4.26Å; F153-L213 HydrophobicContact CE2-CD2 4.49Å; F153-L213 HydrophobicContact CZ-CD2 3.98Å; F153-L222 HydrophobicContact CE1-CD1 3.79Å; F153-L222 HydrophobicContact CZ-CD1 3.69Å
154	S	90.3	Very high	84	Confident	46 Å²	46	56 Å²	56	32%	0.322	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	147.1	174.1	-54.6	0	0	0	0	110.2	T173 K174	S154-T173 PolarHBondContact O-N 2.87Å; S154-T173 PolarHBondContact O-OG1 3.3Å; S154-K174 PolarHBondContact N-O 2.92Å
155	I	92.8	Very high	82.6	Confident	28 Å²	28	58.4 Å²	58.4	14%	0.144	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	156.5	176.1	55.2	157.2	0	0	0	112.4	F153 I170 F171 I172 I193 A209 V210 L213	F153-I155 HydrophobicContact CD2-CG2 3.94Å; F153-I155 HydrophobicContact CE2-CG2 3.73Å; I155-I170 HydrophobicContact CB-CG2 3.95Å; I155-I170 HydrophobicContact CD1-CG2 3.65Å; I155-I170 HydrophobicContact CG1-CG2 4.43Å; I155-I170 HydrophobicContact CG2-CG2 4Å; I155-F171 WeakPolarHBondContact CA-O 3.47Å; I155-I172 HydrophobicContact CG2-CD1 4Å; I155-I193 HydrophobicContact CG2-CD1 3.8Å; I155-A209 HydrophobicContact CD1-CB 4.31Å; I155-V210 HydrophobicContact CD1-CG2 3.81Å; I155-V210 HydrophobicContact CG1-CG2 4.41Å; I155-L213 HydrophobicContact CD1-CD1 3.63Å; I155-L213 HydrophobicContact CG1-CD1 4.25Å; I155-L213 HydrophobicContact CG2-CD1 4.39Å
156	A	82.4	Confident	80.7	Confident	15 Å²	15	55.5 Å²	55.5	12%	0.124	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	175	163.4	0	0	0	0	0	109	H163 F171 T173	A156-H163 HydrophobicContact CB-CB 3.89Å; A156-F171 PolarHBondContact N-O 3.22Å; A156-F171 VanDerWaalsContact N-O 3.08Å; A156-F171 PolarHBondContact O-N 2.96Å; A156-T173 HydrophobicContact CB-CG2 3.46Å; A156-T173 VanDerWaalsContact CB-CG2 3.46Å
157	G	86.9	Confident	80.2	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	33%	0.334	C	S	.	.			trans	93.2	174.6	-174.2	0	0	0	0	0	112.3	N161 S169 I170 H206	G157-N161 CarbonylContact C-O 3.5Å; G157-N161 WeakPolarHBondContact CA-O 3.43Å; G157-N161 PolarHBondContact N-O 3.24Å; G157-S169 WeakPolarHBondContact CA-O 3.39Å; G157-I170 WeakPolarHBondContact O-CD1 3.44Å; G157-H206 VanDerWaalsContact O-CB 3.29Å; G157-H206 WeakPolarHBondContact O-CB 3.25Å; G157-H206 PolarHBondContact O-ND1 2.87Å
158	G	84.9	Confident	80.3	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	32%	0.324	C	S	.	.			trans	118.5	155.9	-165.9	0	0	0	0	0	111.4	D160 N161 P162 S168 V204	G158-D160 PolarHBondContact O-N 2.68Å; G158-D160 VanDerWaalsContact O-N 3.14Å; G158-N161 CarbonylContact O-C 3.55Å; G158-N161 PolarHBondContact O-N 2.9Å; G158-P162 VanDerWaalsContact O-N 3.09Å; G158-S168 WeakPolarHBondContact CA-O 3.38Å; G158-S168 PolarHBondContact N-O 2.95Å; G158-S168 VanDerWaalsContact N-O 3.11Å; G158-V204 CarbonylContact C-O 3.6Å; G158-V204 WeakPolarHBondContact CA-O 3.29Å
159	T	84.1	Confident	81.1	Confident	76 Å²	76	46.6 Å²	46.6	47%	0.466	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-15.5	-172.7	44.7	0	0	0	0	115.4	D203 V204 T205	T159-D203 HydrophobicContact CG2-CB 4.24Å; T159-D203 VanDerWaalsContact CG2-O 3.25Å; T159-D203 WeakPolarHBondContact CG2-O 3.5Å; T159-D203 PolarHBondContact OG1-O 2.81Å; T159-V204 PolarHBondContact N-O 2.89Å; T159-V204 PolarHBondContact OG1-O 2.79Å; T159-T205 PolarHBondContact OG1-N 3.47Å
160	D	83.9	Confident	82	Confident	86 Å²	86	42 Å²	42	46%	0.46	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-16.5	173.3	57.4	-16.2	0	0	0	113.7	G158 T205 H206	G158-D160 PolarHBondContact O-N 2.68Å; G158-D160 VanDerWaalsContact O-N 3.14Å; D160-T205 HydrophobicContact CB-CG2 4.11Å; D160-T205 WeakPolarHBondContact OD1-CA 3.44Å; D160-T205 WeakPolarHBondContact OD2-CB 3.44Å; D160-H206 WeakPolarHBondContact OD1-CB 3.24Å; D160-H206 PolarHBondContact OD1-N 2.82Å
161	N	77	Confident	82.2	Confident	91 Å²	91	41.6 Å²	41.6	49%	0.487	25%	0.246	S	C	.	.	S	Bend	trans	-158.3	68.9	-175.4	-175.2	65.3	0	0	0	111.2	G157 G158	G157-N161 CarbonylContact C-O 3.5Å; G157-N161 WeakPolarHBondContact CA-O 3.43Å; G157-N161 PolarHBondContact N-O 3.24Å; G158-N161 CarbonylContact O-C 3.55Å; G158-N161 PolarHBondContact O-N 2.9Å
162	P	77.2	Confident	82.3	Confident	58 Å²	58	40.9 Å²	40.9	38%	0.377	24%	0.242	S	C	.	.			trans	-63.1	143.1	-178.2	27.2	-35.4	0	0	0	111.1	G158 D167	G158-P162 VanDerWaalsContact O-N 3.09Å; P162-D167 VanDerWaalsContact CB-O 3.25Å; P162-D167 WeakPolarHBondContact CB-O 3.33Å
163	H	69.4	Low	82.1	Confident	85 Å²	85	42.9 Å²	42.9	39%	0.394	25%	0.254	S	S	.	.	S	Bend	trans	-94.8	-33.1	-173.6	-172.8	40.4	0	0	0	113.5	A156 F171 T173	A156-H163 HydrophobicContact CB-CB 3.89Å; H163-F171 HydrophobicContact CB-CD2 4.06Å; H163-T173 VanDerWaalsContact NE2-CG2 3.27Å; H163-T173 WeakPolarHBondContact NE2-CG2 3.27Å
164	I	70.1	Confident	81.7	Confident	79 Å²	79	47.8 Å²	47.8	41%	0.405	28%	0.275	S	S	.	.	B	Isolated β-bridge	trans	-126.7	90.6	-172.2	-58.1	-174.4	0	0	0	108	D166 D167 F171	I164-D166 PolarHBondContact O-N 3.22Å; I164-D167 VanDerWaalsContact O-CB 3.28Å; I164-D167 WeakPolarHBondContact O-CB 3.38Å; I164-D167 PolarHBondContact O-N 2.83Å; I164-D167 VanDerWaalsContact O-N 3.08Å; I164-F171 HydrophobicContact CB-CE2 4.23Å; I164-F171 HydrophobicContact CB-CZ 4.27Å; I164-F171 HydrophobicContact CD1-CD1 3.79Å; I164-F171 HydrophobicContact CD1-CD2 4.28Å; I164-F171 HydrophobicContact CD1-CE1 3.68Å; I164-F171 HydrophobicContact CD1-CE2 4.19Å; I164-F171 HydrophobicContact CD1-CG 4.09Å; I164-F171 HydrophobicContact CD1-CZ 3.89Å; I164-F171 HydrophobicContact CG1-CD2 4.3Å; I164-F171 HydrophobicContact CG1-CE2 4.16Å; I164-F171 HydrophobicContact CG1-CZ 4.28Å
165	G	65.4	Low	81.6	Confident	55 Å²	55	47.6 Å²	47.6	57%	0.567	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.3	-126.9	-174.7	0	0	0	0	0	111.6
166	D	52.2	Low	81.3	Confident	83 Å²	83	49.9 Å²	49.9	44%	0.444	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	11.2	176.8	-70.4	1.6	0	0	0	112.7	I164 S168 T775 Q778	I164-D166 PolarHBondContact O-N 3.22Å; D166-S168 PolarHBondContact O-N 2.95Å; D166-T775 HydrophobicContact CB-CG2 4.3Å; D166-T775 VanDerWaalsContact OD2-CB 3.27Å; D166-T775 WeakPolarHBondContact OD2-CB 3.45Å; D166-T775 WeakPolarHBondContact OD2-CG2 3.29Å; D166-T775 PolarHBondContact OD2-OG1 2.92Å; D166-Q778 PolarHBondContact OD1-NE2 3.44Å
167	D	78	Confident	81.4	Confident	64 Å²	64	55.9 Å²	55.9	34%	0.342	32%	0.317	S	S	.	.	B	Isolated β-bridge	trans	-73.5	114.2	177.8	-163.2	-31.4	0	0	0	111.3	P162 I164 S169 F171	P162-D167 VanDerWaalsContact CB-O 3.25Å; P162-D167 WeakPolarHBondContact CB-O 3.33Å; I164-D167 VanDerWaalsContact O-CB 3.28Å; I164-D167 WeakPolarHBondContact O-CB 3.38Å; I164-D167 PolarHBondContact O-N 2.83Å; I164-D167 VanDerWaalsContact O-N 3.08Å; D167-S169 VanDerWaalsContact C-N 3.25Å; D167-S169 PolarHBondContact O-N 3.14Å; D167-S169 WeakPolarHBondContact OD1-CB 3.15Å; D167-S169 PolarHBondContact OD1-N 3.16Å; D167-S169 PolarHBondContact OD1-OG 2.89Å; D167-F171 HydrophobicContact CB-CE2 4.11Å; D167-F171 HydrophobicContact CB-CZ 4.15Å; D167-F171 WeakPolarHBondContact OD2-CZ 3.36Å
168	S	82.6	Confident	81	Confident	25 Å²	25	58.4 Å²	58.4	18%	0.175	34%	0.343	C	S	.	.			trans	-72.2	-10.2	178.5	47.6	0	0	0	0	114.2	G158 D166 D203	G158-S168 WeakPolarHBondContact CA-O 3.38Å; G158-S168 PolarHBondContact N-O 2.95Å; G158-S168 VanDerWaalsContact N-O 3.11Å; D166-S168 PolarHBondContact O-N 2.95Å; S168-D203 WeakPolarHBondContact CB-OD1 3.26Å; S168-D203 PolarHBondContact OG-OD1 2.98Å
169	S	89.8	Confident	81.1	Confident	27 Å²	27	58.5 Å²	58.5	19%	0.189	34%	0.344	C	S	.	.	S	Bend	trans	-61.3	154.2	-177.3	-57.2	0	0	0	0	113.1	G157 D167 F171	G157-S169 WeakPolarHBondContact CA-O 3.39Å; D167-S169 VanDerWaalsContact C-N 3.25Å; D167-S169 PolarHBondContact O-N 3.14Å; D167-S169 WeakPolarHBondContact OD1-CB 3.15Å; D167-S169 PolarHBondContact OD1-N 3.16Å; D167-S169 PolarHBondContact OD1-OG 2.89Å; S169-F171 WeakPolarHBondContact O-CD2 3.4Å; S169-F171 WeakPolarHBondContact O-CE2 3.46Å
170	I	93	Very high	81.3	Confident	1 Å²	1	55.7 Å²	55.7	1%	0.005	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	109	175.7	-52.1	-57.7	0	0	0	109.1	I155 G157 C192 I193 V201 V204 A209	I155-I170 HydrophobicContact CB-CG2 3.95Å; I155-I170 HydrophobicContact CD1-CG2 3.65Å; I155-I170 HydrophobicContact CG1-CG2 4.43Å; I155-I170 HydrophobicContact CG2-CG2 4Å; G157-I170 WeakPolarHBondContact O-CD1 3.44Å; I170-C192 CarbonylContact O-C 3.56Å; I170-C192 WeakPolarHBondContact O-CA 3.35Å; I170-I193 HydrophobicContact CB-CB 4.31Å; I170-I193 HydrophobicContact CG2-CB 4.42Å; I170-I193 HydrophobicContact CG2-CD1 4.18Å; I170-I193 HydrophobicContact CG2-CG1 4.5Å; I170-I193 PolarHBondContact O-N 3.06Å; I170-V201 HydrophobicContact CG1-CB 4.38Å; I170-V201 HydrophobicContact CG1-CG2 4.4Å; I170-V204 HydrophobicContact CD1-CG2 4.36Å; I170-A209 HydrophobicContact CD1-CB 3.49Å; I170-A209 VanDerWaalsContact CD1-CB 3.49Å; I170-A209 HydrophobicContact CG1-CB 3.63Å; I170-A209 HydrophobicContact CG2-CB 4.17Å
171	F	92.8	Very high	81.7	Confident	11 Å²	11	51.6 Å²	51.6	5%	0.048	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	139.9	-175.8	-67.4	-87.9	0	0	0	112.7	I155 A156 H163 I164 D167 S169 T173 D191 C192	I155-F171 WeakPolarHBondContact CA-O 3.47Å; A156-F171 PolarHBondContact N-O 3.22Å; A156-F171 VanDerWaalsContact N-O 3.08Å; A156-F171 PolarHBondContact O-N 2.96Å; H163-F171 HydrophobicContact CB-CD2 4.06Å; I164-F171 HydrophobicContact CB-CE2 4.23Å; I164-F171 HydrophobicContact CB-CZ 4.27Å; I164-F171 HydrophobicContact CD1-CD1 3.79Å; I164-F171 HydrophobicContact CD1-CD2 4.28Å; I164-F171 HydrophobicContact CD1-CE1 3.68Å; I164-F171 HydrophobicContact CD1-CE2 4.19Å; I164-F171 HydrophobicContact CD1-CG 4.09Å; I164-F171 HydrophobicContact CD1-CZ 3.89Å; I164-F171 HydrophobicContact CG1-CD2 4.3Å; I164-F171 HydrophobicContact CG1-CE2 4.16Å; I164-F171 HydrophobicContact CG1-CZ 4.28Å; D167-F171 HydrophobicContact CB-CE2 4.11Å; D167-F171 HydrophobicContact CB-CZ 4.15Å; D167-F171 WeakPolarHBondContact OD2-CZ 3.36Å; S169-F171 WeakPolarHBondContact O-CD2 3.4Å; S169-F171 WeakPolarHBondContact O-CE2 3.46Å; F171-T173 PolarHBondContact O-N 2.83Å; F171-D191 WeakPolarHBondContact CA-O 3.37Å; F171-C192 WeakPolarHBondContact CE1-SG 3.43Å
172	I	92	Very high	82.2	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	111.3	163.6	-55.4	-60.9	0	0	0	109.2	F153 I155 I175 L187 R188 N190 D191 I193	F153-I172 HydrophobicContact CB-CG2 4.41Å; F153-I172 HydrophobicContact CD2-CD1 3.44Å; F153-I172 VanDerWaalsContact CD2-CD1 3.44Å; F153-I172 HydrophobicContact CE2-CD1 3.6Å; F153-I172 HydrophobicContact CG-CD1 4.1Å; F153-I172 HydrophobicContact CZ-CD1 4.36Å; I155-I172 HydrophobicContact CG2-CD1 4Å; I172-I175 HydrophobicContact CG2-CG1 4.06Å; I172-L187 HydrophobicContact CD1-CD1 4.2Å; I172-L187 HydrophobicContact CD1-CD2 3.84Å; I172-L187 HydrophobicContact CD1-CG 4.3Å; I172-L187 HydrophobicContact CG1-CD1 4.01Å; I172-L187 HydrophobicContact CG1-CD2 4.18Å; I172-L187 HydrophobicContact CG1-CG 4.11Å; I172-R188 WeakPolarHBondContact CB-O 3.38Å; I172-R188 WeakPolarHBondContact CG2-O 3.4Å; I172-N190 PolarHBondContact O-N 3.01Å; I172-D191 HydrophobicContact CB-CB 4.36Å; I172-D191 HydrophobicContact CG1-CB 3.82Å; I172-D191 PolarHBondContact N-O 3.27Å; I172-I193 HydrophobicContact CD1-CD1 3.76Å; I172-I193 HydrophobicContact CD1-CG1 3.94Å; I172-I193 HydrophobicContact CG1-CG1 4.46Å
173	T	85.6	Confident	82.7	Confident	45 Å²	45	53.7 Å²	53.7	28%	0.276	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	-24	-178.1	58.2	0	0	0	0	113.8	S154 A156 H163 F171	S154-T173 PolarHBondContact O-N 2.87Å; S154-T173 PolarHBondContact O-OG1 3.3Å; A156-T173 HydrophobicContact CB-CG2 3.46Å; A156-T173 VanDerWaalsContact CB-CG2 3.46Å; H163-T173 VanDerWaalsContact NE2-CG2 3.27Å; H163-T173 WeakPolarHBondContact NE2-CG2 3.27Å; F171-T173 PolarHBondContact O-N 2.83Å
174	K	86.1	Confident	83.8	Confident	129 Å²	129	52.2 Å²	52.2	56%	0.561	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-155.8	140.5	179.8	-173.1	170	-176.7	173.3	0	110.7	F153 S154	F153-K174 CarbonylContact C-O 3.46Å; F153-K174 VanDerWaalsContact CA-O 3.23Å; F153-K174 WeakPolarHBondContact CA-O 3.46Å; F153-K174 WeakPolarHBondContact CB-O 3.24Å; S154-K174 PolarHBondContact N-O 2.92Å
175	I	88.3	Confident	84.5	Confident	41 Å²	41	51 Å²	51	21%	0.21	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	135.3	164.8	-66.5	169.8	0	0	0	107.6	I172 A182 L187 V189	I172-I175 HydrophobicContact CG2-CG1 4.06Å; I175-A182 HydrophobicContact CG2-CB 3.64Å; I175-L187 WeakPolarHBondContact CD1-O 3.38Å; I175-V189 HydrophobicContact CD1-CG2 4.35Å; I175-V189 HydrophobicContact CG1-CG2 4.26Å
176	I	86.4	Confident	85.6	Confident	77 Å²	77	52.8 Å²	52.8	40%	0.395	31%	0.307	S	S	.	.			trans	-94.8	111.7	-175	-56.8	175.1	0	0	0	107.8	G152 G178 G179 A182	G152-I176 WeakPolarHBondContact O-CB 3.35Å; G152-I176 PolarHBondContact O-N 3.45Å; I176-G178 PolarHBondContact O-N 3.22Å; I176-G179 WeakPolarHBondContact O-CA 3.25Å; I176-G179 PolarHBondContact O-N 3.27Å; I176-A182 VanDerWaalsContact O-CB 3.31Å; I176-A182 WeakPolarHBondContact O-CB 3.42Å
177	T	82.7	Confident	87.5	Confident	141 Å²	141	49 Å²	49	87%	0.865	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.4	124.1	178.8	-44.6	0	0	0	0	111.3	G179	T177-G179 VanDerWaalsContact C-N 3.3Å; T177-G179 PolarHBondContact O-N 3.09Å
178	G	80.1	Confident	88	Confident	52 Å²	52	52 Å²	52	54%	0.536	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.1	-5.4	-176.9	0	0	0	0	0	115.9	I176 Q183	I176-G178 PolarHBondContact O-N 3.22Å; G178-Q183 PolarHBondContact O-NE2 3.3Å
179	G	87.1	Confident	88.1	Confident	3 Å²	3	54 Å²	54	3%	0.031	30%	0.304	C	S	.	.	S	Bend	trans	-79.6	168	169.5	0	0	0	0	0	113	I176 T177 A181 A182 Q183	I176-G179 WeakPolarHBondContact O-CA 3.25Å; I176-G179 PolarHBondContact O-N 3.27Å; T177-G179 VanDerWaalsContact C-N 3.3Å; T177-G179 PolarHBondContact O-N 3.09Å; G179-A181 PolarHBondContact O-N 3.26Å; G179-A182 WeakPolarHBondContact O-CA 3.37Å; G179-A182 WeakPolarHBondContact O-CB 3.09Å; G179-A182 PolarHBondContact O-N 2.87Å; G179-Q183 PolarHBondContact O-N 3.37Å; G179-Q183 VanDerWaalsContact O-N 3.08Å
180	A	88.6	Confident	87.9	Confident	16 Å²	16	56.7 Å²	56.7	13%	0.132	32%	0.317	C	S	.	.	H	α-helix	trans	-54.9	-47.8	-170.5	0	0	0	0	0	114.5	E145 A182 Q183 D184	E145-A180 WeakPolarHBondContact O-CB 3.45Å; A180-A182 VanDerWaalsContact C-N 3.25Å; A180-A182 PolarHBondContact O-N 3.41Å; A180-Q183 PolarHBondContact O-N 2.87Å; A180-D184 PolarHBondContact O-N 3.15Å
181	A	91	Very high	87.8	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-61	-30.4	175.2	0	0	0	0	0	114	L144 L151 F153 G179 G185 L187	L144-A181 HydrophobicContact CD1-CB 3.91Å; L151-A181 WeakPolarHBondContact O-CB 3.42Å; L151-A181 PolarHBondContact O-N 3.36Å; F153-A181 HydrophobicContact CB-CB 4.33Å; F153-A181 HydrophobicContact CD1-CB 3.89Å; G179-A181 PolarHBondContact O-N 3.26Å; A181-G185 PolarHBondContact O-N 3.49Å; A181-L187 HydrophobicContact CB-CB 4.4Å; A181-L187 HydrophobicContact CB-CD2 3.76Å
182	A	87.4	Confident	87.8	Confident	40 Å²	40	56.9 Å²	56.9	33%	0.331	32%	0.319	S	S	.	.	H	α-helix	trans	-76.9	-22.4	175.1	0	0	0	0	0	112.9	I175 I176 G179 A180	I175-A182 HydrophobicContact CG2-CB 3.64Å; I176-A182 VanDerWaalsContact O-CB 3.31Å; I176-A182 WeakPolarHBondContact O-CB 3.42Å; G179-A182 WeakPolarHBondContact O-CA 3.37Å; G179-A182 WeakPolarHBondContact O-CB 3.09Å; G179-A182 PolarHBondContact O-N 2.87Å; A180-A182 VanDerWaalsContact C-N 3.25Å; A180-A182 PolarHBondContact O-N 3.41Å
183	Q	88.3	Confident	88	Confident	154 Å²	154	56.9 Å²	56.9	72%	0.72	32%	0.319	S	S	*	.	H	α-helix	trans	-83.7	-34.4	175.1	-64	178.1	23.3	0	0	111.8	G178 G179 A180	G178-Q183 PolarHBondContact O-NE2 3.3Å; G179-Q183 PolarHBondContact O-N 3.37Å; G179-Q183 VanDerWaalsContact O-N 3.08Å; A180-Q183 PolarHBondContact O-N 2.87Å
184	D	91.6	Very high	88.4	Confident	53 Å²	53	55.8 Å²	55.8	28%	0.283	31%	0.311	S	S	.	.	H	α-helix	trans	-72.3	-40.5	171.6	178.8	-85.6	0	0	0	112.1	L144 A180 R186	L144-D184 HydrophobicContact CD2-CB 3.46Å; L144-D184 VanDerWaalsContact CD2-CB 3.46Å; A180-D184 PolarHBondContact O-N 3.15Å; D184-R186 PolarHBondContact O-N 3.34Å; D184-R186 VanDerWaalsContact O-N 3.15Å; D184-R186 VanDerWaalsContact OD1-CB 3.28Å; D184-R186 WeakPolarHBondContact OD1-CB 3.3Å; D184-R186 WeakPolarHBondContact OD1-CG 3.33Å; D184-R186 IonicContact OD1-CZ 3.66Å; D184-R186 PolarHBondContact OD1-N 3.08Å; D184-R186 IonicContact OD1-NE 2.67Å; D184-R186 PolarHBondContact OD1-NE 3.43Å; D184-R186 IonicContact OD1-NH2 2.89Å; D184-R186 IonicContact OD2-CZ 2.71Å; D184-R186 IonicContact OD2-NE 3.67Å; D184-R186 PolarHBondContact OD2-NE 3.42Å; D184-R186 IonicContact OD2-NH2 3.2Å; D184-R186 PolarHBondContact OD2-NH2 2.88Å
185	G	85.7	Confident	88.9	Confident	53 Å²	53	52.7 Å²	52.7	55%	0.546	30%	0.296	S	S	.	.			trans	74.8	-5.7	170.4	0	0	0	0	0	116.5	A181	A181-G185 PolarHBondContact O-N 3.49Å
186	R	89.4	Confident	89.2	Confident	94 Å²	94	50.8 Å²	50.8	36%	0.355	29%	0.286	S	S	.	.			trans	-82	-33.1	178.1	-62.3	176.1	-71.6	166.5	-9.4	113.5	I142 D184 R226	I142-R186 HydrophobicContact CD1-CB 4.04Å; I142-R186 HydrophobicContact CG1-CB 4.27Å; I142-R186 HydrophobicContact CG2-CB 4.44Å; D184-R186 PolarHBondContact O-N 3.34Å; D184-R186 VanDerWaalsContact O-N 3.15Å; D184-R186 VanDerWaalsContact OD1-CB 3.28Å; D184-R186 WeakPolarHBondContact OD1-CB 3.3Å; D184-R186 WeakPolarHBondContact OD1-CG 3.33Å; D184-R186 IonicContact OD1-CZ 3.66Å; D184-R186 PolarHBondContact OD1-N 3.08Å; D184-R186 IonicContact OD1-NE 2.67Å; D184-R186 PolarHBondContact OD1-NE 3.43Å; D184-R186 IonicContact OD1-NH2 2.89Å; D184-R186 IonicContact OD2-CZ 2.71Å; D184-R186 IonicContact OD2-NE 3.67Å; D184-R186 PolarHBondContact OD2-NE 3.42Å; D184-R186 IonicContact OD2-NH2 3.2Å; D184-R186 PolarHBondContact OD2-NH2 2.88Å; R186-R226 PolarHBondContact O-NH2 3.49Å
187	L	90.8	Very high	89.6	Confident	4 Å²	4	49 Å²	49	2%	0.021	28%	0.277	C	S	.	.			trans	-67.8	138.6	176.2	-166.2	71.5	0	0	0	109.2	I142 L144 F153 I172 I175 A181 D191 L222 V224	I142-L187 HydrophobicContact CD1-CB 4.11Å; I142-L187 HydrophobicContact CD1-CD1 3.87Å; L144-L187 HydrophobicContact CD1-CD2 4.32Å; F153-L187 HydrophobicContact CB-CD2 4.18Å; F153-L187 HydrophobicContact CD1-CD2 3.64Å; F153-L187 HydrophobicContact CE1-CD2 4.04Å; F153-L187 HydrophobicContact CG-CD2 3.89Å; I172-L187 HydrophobicContact CD1-CD1 4.2Å; I172-L187 HydrophobicContact CD1-CD2 3.84Å; I172-L187 HydrophobicContact CD1-CG 4.3Å; I172-L187 HydrophobicContact CG1-CD1 4.01Å; I172-L187 HydrophobicContact CG1-CD2 4.18Å; I172-L187 HydrophobicContact CG1-CG 4.11Å; I175-L187 WeakPolarHBondContact CD1-O 3.38Å; A181-L187 HydrophobicContact CB-CB 4.4Å; A181-L187 HydrophobicContact CB-CD2 3.76Å; L187-D191 HydrophobicContact CD1-CB 4.45Å; L187-L222 HydrophobicContact CD1-CD1 4.17Å; L187-L222 HydrophobicContact CD2-CD1 4.33Å; L187-V224 HydrophobicContact CD1-CG1 3.97Å
188	R	89.1	Confident	90	Very high	126 Å²	126	49.5 Å²	49.5	48%	0.475	27%	0.27	S	S	.	.			trans	-124.6	159	-178.7	-54.2	-178.3	-168.9	148.9	9.9	111	E138 I172 D191	E138-R188 IonicContact OE1-NH1 3.49Å; E138-R188 PolarHBondContact OE1-NH1 3.12Å; I172-R188 WeakPolarHBondContact CB-O 3.38Å; I172-R188 WeakPolarHBondContact CG2-O 3.4Å; R188-D191 PolarHBondContact N-OD2 2.86Å; R188-D191 WeakPolarHBondContact O-CB 3.46Å; R188-D191 VanDerWaalsContact O-CG 3.31Å; R188-D191 PolarHBondContact O-N 3.04Å
189	V	83.8	Confident	90.5	Very high	68 Å²	68	50 Å²	50	41%	0.412	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	144	167.7	178.6	0	0	0	0	108.4	I175 D191	I175-V189 HydrophobicContact CD1-CG2 4.35Å; I175-V189 HydrophobicContact CG1-CG2 4.26Å; V189-D191 VanDerWaalsContact C-N 3.29Å
190	N	85.4	Confident	90.8	Very high	83 Å²	83	53.2 Å²	53.2	44%	0.444	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	70	10.2	-170.7	-50	-36.9	0	0	0	115.8	I172 C192	I172-N190 PolarHBondContact O-N 3.01Å; N190-C192 PolarHBondContact O-N 3.07Å
191	D	91.6	Very high	91.1	Very high	2 Å²	2	52.5 Å²	52.5	1%	0.011	27%	0.273	C	S	.	.			trans	-66.4	129.1	165.9	-76.3	-4.6	0	0	0	110.3	F171 I172 L187 R188 V189 V224 R226	F171-D191 WeakPolarHBondContact CA-O 3.37Å; I172-D191 HydrophobicContact CB-CB 4.36Å; I172-D191 HydrophobicContact CG1-CB 3.82Å; I172-D191 PolarHBondContact N-O 3.27Å; L187-D191 HydrophobicContact CD1-CB 4.45Å; R188-D191 PolarHBondContact N-OD2 2.86Å; R188-D191 WeakPolarHBondContact O-CB 3.46Å; R188-D191 VanDerWaalsContact O-CG 3.31Å; R188-D191 PolarHBondContact O-N 3.04Å; V189-D191 VanDerWaalsContact C-N 3.29Å; D191-V224 HydrophobicContact CB-CB 4.21Å; D191-V224 HydrophobicContact CB-CG1 4.41Å; D191-R226 WeakPolarHBondContact OD1-CB 3.41Å; D191-R226 IonicContact OD1-CZ 2.66Å; D191-R226 IonicContact OD1-NE 2.73Å; D191-R226 PolarHBondContact OD1-NE 3.37Å; D191-R226 IonicContact OD1-NH2 3.16Å; D191-R226 PolarHBondContact OD1-NH2 2.85Å; D191-R226 IonicContact OD2-CZ 2.75Å; D191-R226 IonicContact OD2-NE 3.96Å; D191-R226 IonicContact OD2-NH2 3.88Å; D191-R226 PolarHBondContact OD2-NH2 2.76Å
192	C	93.3	Very high	91.1	Very high	13 Å²	13	59.3 Å²	59.3	9%	0.088	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	115	170.9	-48.3	0	0	0	0	109.3	I170 F171 N190 L194 V224 K225	I170-C192 CarbonylContact O-C 3.56Å; I170-C192 WeakPolarHBondContact O-CA 3.35Å; F171-C192 WeakPolarHBondContact CE1-SG 3.43Å; N190-C192 PolarHBondContact O-N 3.07Å; C192-L194 HydrophobicContact CB-CD2 4.43Å; C192-L194 PolarHBondContact O-N 3.01Å; C192-V224 CarbonylContact O-C 3.57Å; C192-V224 WeakPolarHBondContact O-CA 3.43Å; C192-K225 HydrophobicContact CB-CB 4.29Å; C192-K225 WeakPolarHBondContact CB-O 3.36Å; C192-K225 PolarHBondContact N-O 2.86Å; C192-K225 PolarHBondContact O-N 2.82Å
193	I	95.4	Very high	91	Very high	1 Å²	1	62.5 Å²	62.5	1%	0.005	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	123.5	168.3	-47.5	178.2	0	0	0	108.6	F153 I155 I170 I172 V196 V201 L213 L222 V224	F153-I193 HydrophobicContact CE2-CD1 4.1Å; F153-I193 HydrophobicContact CZ-CD1 4.48Å; I155-I193 HydrophobicContact CG2-CD1 3.8Å; I170-I193 HydrophobicContact CB-CB 4.31Å; I170-I193 HydrophobicContact CG2-CB 4.42Å; I170-I193 HydrophobicContact CG2-CD1 4.18Å; I170-I193 HydrophobicContact CG2-CG1 4.5Å; I170-I193 PolarHBondContact O-N 3.06Å; I172-I193 HydrophobicContact CD1-CD1 3.76Å; I172-I193 HydrophobicContact CD1-CG1 3.94Å; I172-I193 HydrophobicContact CG1-CG1 4.46Å; I193-V196 HydrophobicContact CG2-CG2 3.77Å; I193-V201 HydrophobicContact CB-CG2 4.3Å; I193-V201 HydrophobicContact CG2-CG2 3.78Å; I193-L213 HydrophobicContact CD1-CD1 4.42Å; I193-L222 HydrophobicContact CD1-CD2 4.47Å; I193-L222 HydrophobicContact CG2-CD2 4.27Å; I193-V224 HydrophobicContact CG1-CG1 4.39Å
194	L	94.5	Very high	91	Very high	22 Å²	22	55.8 Å²	55.8	12%	0.115	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	-33	175.2	-55.9	-176	0	0	0	112.4	Y139 C192 V201 R202 Y223 K225	Y139-L194 HydrophobicContact CD1-CD1 3.96Å; Y139-L194 HydrophobicContact CE1-CD1 3.76Å; C192-L194 HydrophobicContact CB-CD2 4.43Å; C192-L194 PolarHBondContact O-N 3.01Å; L194-V201 WeakPolarHBondContact O-CG2 3.37Å; L194-V201 PolarHBondContact O-N 2.84Å; L194-R202 HydrophobicContact CB-CG 4.18Å; L194-R202 HydrophobicContact CD2-CG 3.95Å; L194-Y223 HydrophobicContact CB-CD1 4.18Å; L194-Y223 HydrophobicContact CD1-CD1 4.23Å; L194-Y223 HydrophobicContact CD1-CE1 4.26Å; L194-Y223 PolarHBondContact N-O 3.13Å; L194-K225 HydrophobicContact CD1-CB 3.81Å; L194-K225 HydrophobicContact CD1-CD 4.36Å; L194-K225 HydrophobicContact CD2-CB 4.42Å; L194-K225 HydrophobicContact CG-CB 4.12Å
195	R	95.8	Very high	91	Very high	63 Å²	63	55.7 Å²	55.7	24%	0.238	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	145.1	179.9	169.4	178.2	59.2	85.8	0.1	111.2	E141 N197 V199 L222 Y223	E141-R195 IonicContact OE2-CZ 3.43Å; E141-R195 IonicContact OE2-NH1 3.23Å; E141-R195 PolarHBondContact OE2-NH1 2.91Å; E141-R195 IonicContact OE2-NH2 2.69Å; E141-R195 PolarHBondContact OE2-NH2 3.35Å; R195-N197 VanDerWaalsContact CD-O 3.23Å; R195-N197 WeakPolarHBondContact CD-O 3.1Å; R195-N197 WeakPolarHBondContact CG-O 3.1Å; R195-N197 PolarHBondContact NH1-O 2.84Å; R195-V199 CarbonylContact C-O 3.58Å; R195-V199 WeakPolarHBondContact CA-O 3.34Å; R195-V199 WeakPolarHBondContact CG-O 3.3Å; R195-L222 WeakPolarHBondContact O-CA 3.34Å; R195-Y223 PolarHBondContact N-O 3.03Å; R195-Y223 PolarHBondContact O-N 3.08Å
196	V	96.1	Very high	91.2	Very high	2 Å²	2	55.5 Å²	55.5	1%	0.012	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	112.8	176.3	-177.8	0	0	0	0	108.7	I193 E198 V199 V201 A212 L213 A216 V220 R221 L222	I193-V196 HydrophobicContact CG2-CG2 3.77Å; V196-E198 PolarHBondContact O-N 3.31Å; V196-E198 VanDerWaalsContact O-N 3.13Å; V196-V199 PolarHBondContact N-O 2.88Å; V196-V199 WeakPolarHBondContact O-CB 3.36Å; V196-V199 PolarHBondContact O-N 3.37Å; V196-V201 HydrophobicContact CG2-CG1 4.04Å; V196-V201 HydrophobicContact CG2-CG2 4.1Å; V196-A212 HydrophobicContact CB-CB 4.19Å; V196-A212 HydrophobicContact CG1-CB 4.4Å; V196-L213 HydrophobicContact CG1-CD2 3.83Å; V196-L213 HydrophobicContact CG1-CG 4.34Å; V196-L213 HydrophobicContact CG2-CD2 3.87Å; V196-L213 HydrophobicContact CG2-CG 4.15Å; V196-A216 HydrophobicContact CG1-CB 3.9Å; V196-V220 HydrophobicContact CG1-CG1 3.87Å; V196-R221 CarbonylContact C-O 3.53Å; V196-R221 WeakPolarHBondContact CA-O 3.42Å; V196-L222 HydrophobicContact CG1-CD2 4.29Å; V196-L222 HydrophobicContact CG2-CD2 3.99Å
197	N	94.1	Very high	91.3	Very high	38 Å²	38	54.4 Å²	54.4	20%	0.203	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.6	-113.6	-164.3	-67.6	0.9	0	0	0	110.6	R195 A216 V220 R221	R195-N197 VanDerWaalsContact CD-O 3.23Å; R195-N197 WeakPolarHBondContact CD-O 3.1Å; R195-N197 WeakPolarHBondContact CG-O 3.1Å; R195-N197 PolarHBondContact NH1-O 2.84Å; N197-A216 WeakPolarHBondContact ND2-CB 3.35Å; N197-A216 PolarHBondContact ND2-O 3.48Å; N197-A216 VanDerWaalsContact ND2-O 3.11Å; N197-V220 WeakPolarHBondContact OD1-CA 3.34Å; N197-R221 PolarHBondContact N-O 2.76Å; N197-R221 PolarHBondContact OD1-N 2.72Å
198	E	90.4	Very high	91.4	Very high	153 Å²	153	59.2 Å²	59.2	72%	0.715	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	4.5	178.3	-47.7	-47.2	125.6	0	0	112.9	V196	V196-E198 PolarHBondContact O-N 3.31Å; V196-E198 VanDerWaalsContact O-N 3.13Å
199	V	92.3	Very high	91.6	Very high	63 Å²	63	53.2 Å²	53.2	38%	0.382	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	115.2	-177	-174.5	0	0	0	0	110.3	R195 V196 V201 A212	R195-V199 CarbonylContact C-O 3.58Å; R195-V199 WeakPolarHBondContact CA-O 3.34Å; R195-V199 WeakPolarHBondContact CG-O 3.3Å; V196-V199 PolarHBondContact N-O 2.88Å; V196-V199 WeakPolarHBondContact O-CB 3.36Å; V196-V199 PolarHBondContact O-N 3.37Å; V199-V201 HydrophobicContact CG1-CG1 4.39Å; V199-A212 HydrophobicContact CB-CB 4.19Å; V199-A212 HydrophobicContact CG1-CB 3.93Å
200	D	92.8	Very high	92	Very high	70 Å²	70	51.8 Å²	51.8	37%	0.374	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	131.5	168.8	-159.9	-28.4	0	0	0	110.2	R202	D200-R202 WeakPolarHBondContact OD1-CB 3.23Å; D200-R202 WeakPolarHBondContact OD1-CG 3.23Å; D200-R202 IonicContact OD1-CZ 3.37Å; D200-R202 PolarHBondContact OD1-N 2.83Å; D200-R202 IonicContact OD1-NE 3.14Å; D200-R202 PolarHBondContact OD1-NE 3.17Å; D200-R202 IonicContact OD1-NH2 3.21Å; D200-R202 IonicContact OD2-CZ 2.73Å; D200-R202 IonicContact OD2-NE 2.77Å; D200-R202 PolarHBondContact OD2-NE 2.86Å; D200-R202 IonicContact OD2-NH2 2.71Å; D200-R202 PolarHBondContact OD2-NH2 2.76Å
201	V	93.6	Very high	92.4	Very high	1 Å²	1	53 Å²	53	1%	0.006	27%	0.266	C	S	.	.			trans	-122.7	19.4	179.5	-61.5	0	0	0	0	112.4	I170 I193 L194 V196 V199 V204 A209 A212	I170-V201 HydrophobicContact CG1-CB 4.38Å; I170-V201 HydrophobicContact CG1-CG2 4.4Å; I193-V201 HydrophobicContact CB-CG2 4.3Å; I193-V201 HydrophobicContact CG2-CG2 3.78Å; L194-V201 WeakPolarHBondContact O-CG2 3.37Å; L194-V201 PolarHBondContact O-N 2.84Å; V196-V201 HydrophobicContact CG2-CG1 4.04Å; V196-V201 HydrophobicContact CG2-CG2 4.1Å; V199-V201 HydrophobicContact CG1-CG1 4.39Å; V201-V204 HydrophobicContact CB-CG2 3.93Å; V201-V204 HydrophobicContact CG1-CG2 4.43Å; V201-V204 WeakPolarHBondContact O-CG2 3.32Å; V201-A209 HydrophobicContact CB-CB 4.5Å; V201-A212 HydrophobicContact CG1-CB 4.04Å
202	R	91.4	Very high	92.5	Very high	143 Å²	143	53.3 Å²	53.3	54%	0.54	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	136.8	164.9	-62.8	176	-67.9	166.2	0.9	110.1	L194 D200 V204	L194-R202 HydrophobicContact CB-CG 4.18Å; L194-R202 HydrophobicContact CD2-CG 3.95Å; D200-R202 WeakPolarHBondContact OD1-CB 3.23Å; D200-R202 WeakPolarHBondContact OD1-CG 3.23Å; D200-R202 IonicContact OD1-CZ 3.37Å; D200-R202 PolarHBondContact OD1-N 2.83Å; D200-R202 IonicContact OD1-NE 3.14Å; D200-R202 PolarHBondContact OD1-NE 3.17Å; D200-R202 IonicContact OD1-NH2 3.21Å; D200-R202 IonicContact OD2-CZ 2.73Å; D200-R202 IonicContact OD2-NE 2.77Å; D200-R202 PolarHBondContact OD2-NE 2.86Å; D200-R202 IonicContact OD2-NH2 2.71Å; D200-R202 PolarHBondContact OD2-NH2 2.76Å; R202-V204 PolarHBondContact O-N 3.03Å
203	D	85.3	Confident	92.6	Very high	107 Å²	107	53.4 Å²	53.4	57%	0.572	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	21.8	176.4	-56.5	-57.7	0	0	0	115.9	T159 S168	T159-D203 HydrophobicContact CG2-CB 4.24Å; T159-D203 VanDerWaalsContact CG2-O 3.25Å; T159-D203 WeakPolarHBondContact CG2-O 3.5Å; T159-D203 PolarHBondContact OG1-O 2.81Å; S168-D203 WeakPolarHBondContact CB-OD1 3.26Å; S168-D203 PolarHBondContact OG-OD1 2.98Å
204	V	88.6	Confident	92.3	Very high	13 Å²	13	60.1 Å²	60.1	8%	0.079	30%	0.297	C	S	.	.			trans	-87.2	161.7	173.5	-56.4	0	0	0	0	111.6	G158 T159 I170 V201 R202 K208 A209	G158-V204 CarbonylContact C-O 3.6Å; G158-V204 WeakPolarHBondContact CA-O 3.29Å; T159-V204 PolarHBondContact N-O 2.89Å; T159-V204 PolarHBondContact OG1-O 2.79Å; I170-V204 HydrophobicContact CD1-CG2 4.36Å; V201-V204 HydrophobicContact CB-CG2 3.93Å; V201-V204 HydrophobicContact CG1-CG2 4.43Å; V201-V204 WeakPolarHBondContact O-CG2 3.32Å; R202-V204 PolarHBondContact O-N 3.03Å; V204-K208 HydrophobicContact CB-CB 4.2Å; V204-K208 HydrophobicContact CB-CD 4.05Å; V204-K208 HydrophobicContact CB-CG 4.24Å; V204-K208 HydrophobicContact CG1-CD 3.96Å; V204-K208 HydrophobicContact CG1-CG 4.43Å; V204-K208 HydrophobicContact CG2-CB 4.48Å; V204-A209 HydrophobicContact CG2-CB 3.92Å
205	T	91.4	Very high	92.2	Very high	51 Å²	51	66.4 Å²	66.4	31%	0.313	33%	0.326	S	S	.	.			trans	-67.1	149	167.2	56.3	0	0	0	0	110.8	T159 D160 S207 K208 A209	T159-T205 PolarHBondContact OG1-N 3.47Å; D160-T205 HydrophobicContact CB-CG2 4.11Å; D160-T205 WeakPolarHBondContact OD1-CA 3.44Å; D160-T205 WeakPolarHBondContact OD2-CB 3.44Å; T205-S207 VanDerWaalsContact CB-OG 3.31Å; T205-S207 WeakPolarHBondContact CB-OG 3.27Å; T205-S207 PolarHBondContact O-N 2.8Å; T205-S207 PolarHBondContact OG1-OG 3.16Å; T205-K208 PolarHBondContact O-N 3.18Å; T205-K208 WeakPolarHBondContact OG1-CB 3.37Å; T205-K208 PolarHBondContact OG1-N 2.88Å; T205-A209 PolarHBondContact O-N 2.96Å; T205-A209 VanDerWaalsContact O-N 3.07Å
206	H	90.2	Very high	91.8	Very high	49 Å²	49	64.1 Å²	64.1	23%	0.227	32%	0.32	C	S	.	.	H	α-helix	trans	-50.4	-42.2	174.9	-174.5	74.5	0	0	0	111.5	G157 D160 K208 A209 V210	G157-H206 VanDerWaalsContact O-CB 3.29Å; G157-H206 WeakPolarHBondContact O-CB 3.25Å; G157-H206 PolarHBondContact O-ND1 2.87Å; D160-H206 WeakPolarHBondContact OD1-CB 3.24Å; D160-H206 PolarHBondContact OD1-N 2.82Å; H206-K208 PolarHBondContact O-N 2.9Å; H206-A209 PolarHBondContact O-N 2.8Å; H206-V210 WeakPolarHBondContact O-CB 3.43Å; H206-V210 VanDerWaalsContact O-CG2 3.31Å; H206-V210 WeakPolarHBondContact O-CG2 3.47Å; H206-V210 PolarHBondContact O-N 3.29Å
207	S	92.4	Very high	91.4	Very high	71 Å²	71	65.6 Å²	65.6	50%	0.497	34%	0.335	S	S	.	.	H	α-helix	trans	-53.9	-45.7	173.7	41.6	0	0	0	0	113.4	T205 V210 E211	T205-S207 VanDerWaalsContact CB-OG 3.31Å; T205-S207 WeakPolarHBondContact CB-OG 3.27Å; T205-S207 PolarHBondContact O-N 2.8Å; T205-S207 PolarHBondContact OG1-OG 3.16Å; S207-V210 PolarHBondContact O-N 3.26Å; S207-E211 WeakPolarHBondContact O-CB 3.15Å; S207-E211 PolarHBondContact O-N 3.27Å
208	K	92.3	Very high	91.1	Very high	104 Å²	104	67.9 Å²	67.9	45%	0.452	35%	0.354	S	S	.	.	H	α-helix	trans	-74.5	-33.8	-179.5	-177.9	174.4	173.3	-167.3	0	112.7	V204 T205 H206 E211 A212	V204-K208 HydrophobicContact CB-CB 4.2Å; V204-K208 HydrophobicContact CB-CD 4.05Å; V204-K208 HydrophobicContact CB-CG 4.24Å; V204-K208 HydrophobicContact CG1-CD 3.96Å; V204-K208 HydrophobicContact CG1-CG 4.43Å; V204-K208 HydrophobicContact CG2-CB 4.48Å; T205-K208 PolarHBondContact O-N 3.18Å; T205-K208 WeakPolarHBondContact OG1-CB 3.37Å; T205-K208 PolarHBondContact OG1-N 2.88Å; H206-K208 PolarHBondContact O-N 2.9Å; K208-E211 WeakPolarHBondContact O-CB 3.44Å; K208-E211 PolarHBondContact O-N 3.17Å; K208-A212 PolarHBondContact O-N 3.24Å
209	A	92.4	Very high	91.1	Very high	1 Å²	1	65.4 Å²	65.4	1%	0.008	35%	0.345	C	S	.	.	H	α-helix	trans	-65.1	-41.4	171	0	0	0	0	0	112.1	I155 I170 V201 V204 T205 H206 E211 A212 L213	I155-A209 HydrophobicContact CD1-CB 4.31Å; I170-A209 HydrophobicContact CD1-CB 3.49Å; I170-A209 VanDerWaalsContact CD1-CB 3.49Å; I170-A209 HydrophobicContact CG1-CB 3.63Å; I170-A209 HydrophobicContact CG2-CB 4.17Å; V201-A209 HydrophobicContact CB-CB 4.5Å; V204-A209 HydrophobicContact CG2-CB 3.92Å; T205-A209 PolarHBondContact O-N 2.96Å; T205-A209 VanDerWaalsContact O-N 3.07Å; H206-A209 PolarHBondContact O-N 2.8Å; A209-E211 VanDerWaalsContact C-N 3.31Å; A209-E211 PolarHBondContact O-N 2.83Å; A209-A212 PolarHBondContact O-N 3.12Å; A209-L213 WeakPolarHBondContact O-CG 3.44Å; A209-L213 PolarHBondContact O-N 2.92Å; A209-L213 VanDerWaalsContact O-N 3.09Å
210	V	92.8	Very high	91.3	Very high	38 Å²	38	62.4 Å²	62.4	23%	0.23	33%	0.327	C	S	.	.	H	α-helix	trans	-65.4	-33.5	173.6	168.5	0	0	0	0	111.9	I155 H206 S207 K214	I155-V210 HydrophobicContact CD1-CG2 3.81Å; I155-V210 HydrophobicContact CG1-CG2 4.41Å; H206-V210 WeakPolarHBondContact O-CB 3.43Å; H206-V210 VanDerWaalsContact O-CG2 3.31Å; H206-V210 WeakPolarHBondContact O-CG2 3.47Å; H206-V210 PolarHBondContact O-N 3.29Å; S207-V210 PolarHBondContact O-N 3.26Å; V210-K214 HydrophobicContact CG1-CD 4.22Å; V210-K214 VanDerWaalsContact CG1-CE 3.49Å; V210-K214 WeakPolarHBondContact O-CD 3.37Å; V210-K214 VanDerWaalsContact O-CG 3.28Å; V210-K214 WeakPolarHBondContact O-CG 3.25Å; V210-K214 PolarHBondContact O-N 2.89Å
211	E	93.6	Very high	91.4	Very high	109 Å²	109	64.8 Å²	64.8	51%	0.509	33%	0.33	S	S	.	.	H	α-helix	trans	-66.5	-51	174	-170	161.8	-121.3	0	0	111.3	S207 K208 A209 L213 K214 E215	S207-E211 WeakPolarHBondContact O-CB 3.15Å; S207-E211 PolarHBondContact O-N 3.27Å; K208-E211 WeakPolarHBondContact O-CB 3.44Å; K208-E211 PolarHBondContact O-N 3.17Å; A209-E211 VanDerWaalsContact C-N 3.31Å; A209-E211 PolarHBondContact O-N 2.83Å; E211-L213 VanDerWaalsContact C-N 3.3Å; E211-L213 PolarHBondContact O-N 3.45Å; E211-K214 WeakPolarHBondContact O-CA 3.43Å; E211-K214 WeakPolarHBondContact O-CB 3.1Å; E211-K214 PolarHBondContact O-N 2.76Å; E211-E215 HydrophobicContact CG-CG 4.45Å; E211-E215 PolarHBondContact O-N 2.74Å
212	A	94.6	Very high	91.6	Very high	7 Å²	7	64.7 Å²	64.7	6%	0.058	33%	0.33	C	S	.	.	H	α-helix	trans	-55	-42.7	175	0	0	0	0	0	112.6	V196 V199 V201 K208 A209 K214 E215 A216	V196-A212 HydrophobicContact CB-CB 4.19Å; V196-A212 HydrophobicContact CG1-CB 4.4Å; V199-A212 HydrophobicContact CB-CB 4.19Å; V199-A212 HydrophobicContact CG1-CB 3.93Å; V201-A212 HydrophobicContact CG1-CB 4.04Å; K208-A212 PolarHBondContact O-N 3.24Å; A209-A212 PolarHBondContact O-N 3.12Å; A212-K214 VanDerWaalsContact C-N 3.25Å; A212-K214 PolarHBondContact O-N 3Å; A212-E215 PolarHBondContact O-N 3.07Å; A212-A216 VanDerWaalsContact O-CB 3.26Å; A212-A216 WeakPolarHBondContact O-CB 3.41Å; A212-A216 PolarHBondContact O-N 2.82Å
213	L	94	Very high	91.8	Very high	16 Å²	16	61.8 Å²	61.8	8%	0.084	32%	0.32	C	S	.	.	H	α-helix	trans	-68.1	-17.5	175.9	-73.2	169.6	0	0	0	114.5	R146 L151 F153 I155 I193 V196 A209 E211 V220 L222	R146-L213 PolarHBondContact NH1-O 3.07Å; R146-L213 VanDerWaalsContact NH1-O 3.09Å; R146-L213 PolarHBondContact NH2-O 2.75Å; L151-L213 HydrophobicContact CD1-CD2 4.09Å; F153-L213 HydrophobicContact CE2-CD1 4.26Å; F153-L213 HydrophobicContact CE2-CD2 4.49Å; F153-L213 HydrophobicContact CZ-CD2 3.98Å; I155-L213 HydrophobicContact CD1-CD1 3.63Å; I155-L213 HydrophobicContact CG1-CD1 4.25Å; I155-L213 HydrophobicContact CG2-CD1 4.39Å; I193-L213 HydrophobicContact CD1-CD1 4.42Å; V196-L213 HydrophobicContact CG1-CD2 3.83Å; V196-L213 HydrophobicContact CG1-CG 4.34Å; V196-L213 HydrophobicContact CG2-CD2 3.87Å; V196-L213 HydrophobicContact CG2-CG 4.15Å; A209-L213 WeakPolarHBondContact O-CG 3.44Å; A209-L213 PolarHBondContact O-N 2.92Å; A209-L213 VanDerWaalsContact O-N 3.09Å; E211-L213 VanDerWaalsContact C-N 3.3Å; E211-L213 PolarHBondContact O-N 3.45Å; L213-V220 HydrophobicContact CD2-CG1 4.36Å; L213-L222 HydrophobicContact CD2-CD2 3.76Å
214	K	90.3	Very high	92.2	Very high	141 Å²	141	56.7 Å²	56.7	61%	0.613	29%	0.293	S	S	*	.	H	α-helix	trans	-88.1	-46.7	172.1	-72.5	164.5	-177.7	171	0	111.3	V210 E211 A212 A216	V210-K214 HydrophobicContact CG1-CD 4.22Å; V210-K214 VanDerWaalsContact CG1-CE 3.49Å; V210-K214 WeakPolarHBondContact O-CD 3.37Å; V210-K214 VanDerWaalsContact O-CG 3.28Å; V210-K214 WeakPolarHBondContact O-CG 3.25Å; V210-K214 PolarHBondContact O-N 2.89Å; E211-K214 WeakPolarHBondContact O-CA 3.43Å; E211-K214 WeakPolarHBondContact O-CB 3.1Å; E211-K214 PolarHBondContact O-N 2.76Å; A212-K214 VanDerWaalsContact C-N 3.25Å; A212-K214 PolarHBondContact O-N 3Å; K214-A216 VanDerWaalsContact C-N 3.31Å; K214-A216 PolarHBondContact O-N 2.78Å
215	E	91.3	Very high	92.3	Very high	155 Å²	155	58.2 Å²	58.2	72%	0.724	30%	0.298	S	S	*	.	H	α-helix	trans	-72.4	-21.8	-176.6	-64	-163.7	139.6	0	0	113.6	E211 A212 G217	E211-E215 HydrophobicContact CG-CG 4.45Å; E211-E215 PolarHBondContact O-N 2.74Å; A212-E215 PolarHBondContact O-N 3.07Å; E215-G217 PolarHBondContact O-N 3.27Å
216	A	88.2	Confident	92	Very high	14 Å²	14	56.6 Å²	56.6	12%	0.116	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-5.7	176.2	0	0	0	0	0	115.7	V196 N197 A212 K214 I219 V220	V196-A216 HydrophobicContact CG1-CB 3.9Å; N197-A216 WeakPolarHBondContact ND2-CB 3.35Å; N197-A216 PolarHBondContact ND2-O 3.48Å; N197-A216 VanDerWaalsContact ND2-O 3.11Å; A212-A216 VanDerWaalsContact O-CB 3.26Å; A212-A216 WeakPolarHBondContact O-CB 3.41Å; A212-A216 PolarHBondContact O-N 2.82Å; K214-A216 VanDerWaalsContact C-N 3.31Å; K214-A216 PolarHBondContact O-N 2.78Å; A216-I219 VanDerWaalsContact O-O 3.05Å; A216-V220 HydrophobicContact CB-CB 4.3Å; A216-V220 HydrophobicContact CB-CG1 3.9Å; A216-V220 HydrophobicContact CB-CG2 3.71Å
217	G	86.8	Confident	91.2	Very high	33 Å²	33	63.1 Å²	63.1	34%	0.34	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.1	-152.8	170.2	0	0	0	0	0	114	R146 E215	R146-G217 VanDerWaalsContact CZ-O 3.23Å; R146-G217 PolarHBondContact NE-O 3.15Å; R146-G217 PolarHBondContact NH2-O 3.45Å; E215-G217 PolarHBondContact O-N 3.27Å
218	S	87.9	Confident	89.7	Confident	86 Å²	86	64.1 Å²	64.1	60%	0.601	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-24.5	-174.6	-52.1	0	0	0	0	114.3	E145 R146	E145-S218 CarbonylContact C-O 3.57Å; E145-S218 WeakPolarHBondContact CA-O 3.35Å; R146-S218 PolarHBondContact N-O 3.48Å
219	I	91.6	Very high	87.6	Confident	101 Å²	101	64.8 Å²	64.8	52%	0.518	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	120	179.1	-59.6	176.1	0	0	0	107.7	T143 A216	T143-I219 HydrophobicContact CG2-CG2 3.55Å; A216-I219 VanDerWaalsContact O-O 3.05Å
220	V	95.6	Very high	85.5	Confident	0 Å²	0	70.2 Å²	70.2	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	117.1	-172.4	-175.3	0	0	0	0	109.7	L144 L151 V196 N197 L213 A216 L222	L144-V220 PolarHBondContact N-O 2.95Å; L144-V220 PolarHBondContact O-N 2.6Å; L151-V220 HydrophobicContact CD1-CB 4.27Å; L151-V220 HydrophobicContact CD1-CG1 4.17Å; L151-V220 HydrophobicContact CD1-CG2 4.1Å; L151-V220 HydrophobicContact CD2-CB 4.03Å; L151-V220 HydrophobicContact CD2-CG2 3.75Å; V196-V220 HydrophobicContact CG1-CG1 3.87Å; N197-V220 WeakPolarHBondContact OD1-CA 3.34Å; L213-V220 HydrophobicContact CD2-CG1 4.36Å; A216-V220 HydrophobicContact CB-CB 4.3Å; A216-V220 HydrophobicContact CB-CG1 3.9Å; A216-V220 HydrophobicContact CB-CG2 3.71Å; V220-L222 HydrophobicContact CG1-CD2 3.8Å; V220-L222 HydrophobicContact CG1-CG 4.36Å
221	R	95.9	Very high	83.4	Confident	120 Å²	120	73.4 Å²	73.4	45%	0.453	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	124	171.6	-58.4	-169.9	174.9	163.3	-1	109.1	I142 T143 V196 N197	I142-R221 CarbonylContact O-C 3.56Å; I142-R221 WeakPolarHBondContact O-CA 3.42Å; T143-R221 HydrophobicContact CG2-CG 4.21Å; V196-R221 CarbonylContact C-O 3.53Å; V196-R221 WeakPolarHBondContact CA-O 3.42Å; N197-R221 PolarHBondContact N-O 2.76Å; N197-R221 PolarHBondContact OD1-N 2.72Å
222	L	96.8	Very high	82.2	Confident	0 Å²	0	72 Å²	72	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	123.1	174.8	-56	178	0	0	0	108.1	E141 I142 L144 F153 L187 I193 R195 V196 L213 V220 V224	E141-L222 WeakPolarHBondContact CA-O 3.25Å; I142-L222 PolarHBondContact N-O 3.14Å; I142-L222 PolarHBondContact O-N 3.35Å; L144-L222 HydrophobicContact CD1-CD1 4.02Å; F153-L222 HydrophobicContact CE1-CD1 3.79Å; F153-L222 HydrophobicContact CZ-CD1 3.69Å; L187-L222 HydrophobicContact CD1-CD1 4.17Å; L187-L222 HydrophobicContact CD2-CD1 4.33Å; I193-L222 HydrophobicContact CD1-CD2 4.47Å; I193-L222 HydrophobicContact CG2-CD2 4.27Å; R195-L222 WeakPolarHBondContact O-CA 3.34Å; V196-L222 HydrophobicContact CG1-CD2 4.29Å; V196-L222 HydrophobicContact CG2-CD2 3.99Å; L213-L222 HydrophobicContact CD2-CD2 3.76Å; V220-L222 HydrophobicContact CG1-CD2 3.8Å; V220-L222 HydrophobicContact CG1-CG 4.36Å; L222-V224 HydrophobicContact CB-CG1 4.07Å
223	Y	95.8	Very high	81.1	Confident	81 Å²	81	79 Å²	79	32%	0.318	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	114.8	164.5	-168	-120.5	0	0	0	107.7	Y139 E141 L194 R195	Y139-Y223 WeakPolarHBondContact CB-OH 3.36Å; Y139-Y223 HydrophobicContact CD1-CE1 4.06Å; E141-Y223 HydrophobicContact CB-CD2 4.21Å; L194-Y223 HydrophobicContact CB-CD1 4.18Å; L194-Y223 HydrophobicContact CD1-CD1 4.23Å; L194-Y223 HydrophobicContact CD1-CE1 4.26Å; L194-Y223 PolarHBondContact N-O 3.13Å; R195-Y223 PolarHBondContact N-O 3.03Å; R195-Y223 PolarHBondContact O-N 3.08Å
224	V	93.9	Very high	80.6	Confident	1 Å²	1	82.8 Å²	82.8	1%	0.006	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	152.8	-174.5	-59.8	0	0	0	0	112.1	Y139 E140 I142 L187 D191 C192 I193 L222	Y139-V224 CarbonylContact C-O 3.56Å; Y139-V224 VanDerWaalsContact CA-O 3.27Å; Y139-V224 WeakPolarHBondContact CA-O 3.47Å; E140-V224 HydrophobicContact CB-CG2 3.99Å; E140-V224 PolarHBondContact N-O 2.89Å; E140-V224 PolarHBondContact O-N 3.27Å; I142-V224 HydrophobicContact CD1-CG2 3.83Å; I142-V224 HydrophobicContact CG1-CG2 4.43Å; L187-V224 HydrophobicContact CD1-CG1 3.97Å; D191-V224 HydrophobicContact CB-CB 4.21Å; D191-V224 HydrophobicContact CB-CG1 4.41Å; C192-V224 CarbonylContact O-C 3.57Å; C192-V224 WeakPolarHBondContact O-CA 3.43Å; I193-V224 HydrophobicContact CG1-CG1 4.39Å; L222-V224 HydrophobicContact CB-CG1 4.07Å
225	K	90.6	Very high	80.4	Confident	45 Å²	45	79.1 Å²	79.1	20%	0.196	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	134.5	174.4	174.2	-179.9	-174	154.3	0	109	D134 Y137 E138 Y139 C192 L194	D134-K225 IonicContact OD1-NZ 3.71Å; Y137-K225 HydrophobicContact CD1-CD 4Å; Y137-K225 HydrophobicContact CD1-CG 3.72Å; Y137-K225 HydrophobicContact CG-CD 4.31Å; Y137-K225 HydrophobicContact CG-CG 4.21Å; E138-K225 WeakPolarHBondContact O-CA 3.41Å; Y139-K225 HydrophobicContact CD1-CB 3.81Å; Y139-K225 HydrophobicContact CD1-CD 4.41Å; Y139-K225 HydrophobicContact CD1-CG 4.08Å; Y139-K225 HydrophobicContact CE1-CB 3.85Å; Y139-K225 HydrophobicContact CE1-CD 3.59Å; Y139-K225 HydrophobicContact CE1-CG 3.73Å; Y139-K225 WeakPolarHBondContact OH-CE 3.34Å; Y139-K225 PolarHBondContact OH-NZ 2.94Å; C192-K225 HydrophobicContact CB-CB 4.29Å; C192-K225 WeakPolarHBondContact CB-O 3.36Å; C192-K225 PolarHBondContact N-O 2.86Å; C192-K225 PolarHBondContact O-N 2.82Å; L194-K225 HydrophobicContact CD1-CB 3.81Å; L194-K225 HydrophobicContact CD1-CD 4.36Å; L194-K225 HydrophobicContact CD2-CB 4.42Å; L194-K225 HydrophobicContact CG-CB 4.12Å
226	R	86	Confident	80.4	Confident	16 Å²	16	78.2 Å²	78.2	6%	0.06	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	161.2	172.1	68.6	173.6	77.4	102.6	-0.3	111.4	Y137 E138 E140 R186 D191	Y137-R226 CarbonylContact C-O 3.08Å; Y137-R226 VanDerWaalsContact CA-O 3.3Å; Y137-R226 WeakPolarHBondContact CA-O 3.27Å; Y137-R226 WeakPolarHBondContact CD1-O 3.45Å; E138-R226 HydrophobicContact CG-CG 3.46Å; E138-R226 VanDerWaalsContact CG-CG 3.46Å; E138-R226 PolarHBondContact N-O 3.36Å; E138-R226 PolarHBondContact O-N 3.19Å; E138-R226 VanDerWaalsContact OE1-CD 3.29Å; E138-R226 WeakPolarHBondContact OE1-CD 3.26Å; E138-R226 IonicContact OE1-NH1 3.92Å; E138-R226 PolarHBondContact OE1-NH1 3.45Å; E140-R226 IonicContact OE2-CZ 3.69Å; E140-R226 IonicContact OE2-NH1 3.77Å; E140-R226 PolarHBondContact OE2-NH1 2.98Å; E140-R226 IonicContact OE2-NH2 2.78Å; E140-R226 PolarHBondContact OE2-NH2 3.39Å; E140-R226 VanDerWaalsContact OE2-NH2 3.09Å; R186-R226 PolarHBondContact O-NH2 3.49Å; D191-R226 WeakPolarHBondContact OD1-CB 3.41Å; D191-R226 IonicContact OD1-CZ 2.66Å; D191-R226 IonicContact OD1-NE 2.73Å; D191-R226 PolarHBondContact OD1-NE 3.37Å; D191-R226 IonicContact OD1-NH2 3.16Å; D191-R226 PolarHBondContact OD1-NH2 2.85Å; D191-R226 IonicContact OD2-CZ 2.75Å; D191-R226 IonicContact OD2-NE 3.96Å; D191-R226 IonicContact OD2-NH2 3.88Å; D191-R226 PolarHBondContact OD2-NH2 2.76Å
227	R	72.9	Confident	80.7	Confident	186 Å²	186	77.6 Å²	77.6	70%	0.702	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.3	140.1	178	-67.6	-178.2	70.2	177.7	1.7	110.6	Y137	Y137-R227 HydrophobicContact CD1-CG 3.81Å; Y137-R227 HydrophobicContact CE1-CB 4.49Å; Y137-R227 HydrophobicContact CE1-CG 3.34Å
228	K	60.4	Low	80.9	Confident	92 Å²	92	80.4 Å²	80.4	40%	0.4	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-73.4	139.1	171.6	-70.8	170.3	176.7	133.3	0	110	A135 D136 Y137 E138	A135-K228 WeakPolarHBondContact O-CD 3.27Å; A135-K228 PolarHBondContact O-NZ 3.38Å; D136-K228 PolarHBondContact O-N 2.81Å; Y137-K228 WeakPolarHBondContact O-CE 3.23Å; Y137-K228 PolarHBondContact O-NZ 2.9Å; E138-K228 HydrophobicContact CB-CG 4.08Å; E138-K228 HydrophobicContact CG-CG 4.35Å
229	P	48.3	Very low	81.1	Confident	119 Å²	119	76.4 Å²	76.4	77%	0.773	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-67.9	132	168.7	28.7	-32.9	0	0	0	109.9
230	V	48.9	Very low	81.1	Confident	115 Å²	115	76.6 Å²	76.6	70%	0.697	37%	0.37	S	S	*	.	P	Polyproline II helix	trans	-82.2	140.2	-179.2	-175.9	0	0	0	0	109.9	E232	V230-E232 PolarHBondContact O-N 2.86Å
231	S	48.9	Very low	80.7	Confident	104 Å²	104	79.6 Å²	79.6	73%	0.727	38%	0.383	S	S	*	.			trans	-74.9	108.3	176.7	43.4	0	0	0	0	112
232	E	67.3	Low	80	Confident	81 Å²	81	75.1 Å²	75.1	38%	0.379	37%	0.374	S	S	.	.			trans	-78.9	144.1	178.3	-61.2	174.8	176.4	0	0	111.9	V230 K287 A320	V230-E232 PolarHBondContact O-N 2.86Å; E232-K287 WeakPolarHBondContact OE1-CD 3.43Å; E232-K287 WeakPolarHBondContact OE1-CE 3.38Å; E232-K287 IonicContact OE1-NZ 2.68Å; E232-K287 PolarHBondContact OE1-NZ 2.85Å; E232-K287 WeakPolarHBondContact OE2-CE 3.24Å; E232-K287 IonicContact OE2-NZ 3.53Å; E232-K287 PolarHBondContact OE2-NZ 2.91Å; E232-A320 HydrophobicContact CB-CB 3.82Å; E232-A320 HydrophobicContact CG-CB 4.3Å; E232-A320 WeakPolarHBondContact OE2-CB 3.27Å
233	K	70.8	Confident	79	Confident	154 Å²	154	82.1 Å²	82.1	67%	0.67	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.9	111.8	175.5	-176.2	-179.7	177.5	-177.8	0	110.8	K321	K233-K321 PolarHBondContact N-O 3.33Å; K233-K321 PolarHBondContact O-N 2.88Å
234	I	84.8	Confident	78.1	Confident	94 Å²	94	87.5 Å²	87.5	48%	0.482	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	141.1	-178.8	-55.4	178.8	0	0	0	111.6	L289 K318 V319	I234-L289 HydrophobicContact CD1-CD1 3.75Å; I234-L289 HydrophobicContact CG1-CD1 3.81Å; I234-L289 HydrophobicContact CG2-CD1 4.22Å; I234-K318 HydrophobicContact CG2-CD 4.44Å; I234-K318 HydrophobicContact CG2-CG 3.84Å; I234-V319 CarbonylContact C-O 3.59Å; I234-V319 WeakPolarHBondContact CA-O 3.31Å
235	M	86.5	Confident	77.8	Confident	65 Å²	65	88.6 Å²	88.6	32%	0.32	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	153.3	175.4	-176.6	170.3	69.8	0	0	110	I237 K281 V319 K321	M235-I237 HydrophobicContact CE-CD1 3.81Å; M235-I237 HydrophobicContact CE-CG1 3.88Å; M235-K281 HydrophobicContact CE-CB 4.05Å; M235-V319 PolarHBondContact N-O 3.41Å; M235-V319 PolarHBondContact O-N 3.48Å; M235-K321 VanDerWaalsContact CE-CE 3.44Å; M235-K321 HydrophobicContact CE-CG 4.49Å
236	E	91	Very high	77.7	Confident	135 Å²	135	87.3 Å²	87.3	63%	0.631	45%	0.452	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.7	138.1	171	-69.3	-177.9	179.5	0	0	111	L317 K318	E236-L317 CarbonylContact C-O 3.49Å; E236-L317 WeakPolarHBondContact CA-O 2.89Å; E236-K318 HydrophobicContact CG-CB 4.45Å; E236-K318 HydrophobicContact CG-CG 4.23Å
237	I	93.1	Very high	77.9	Confident	1 Å²	1	86.8 Å²	86.8	1%	0.005	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	128.3	-176.6	-55	176.1	0	0	0	108.6	M235 L239 D279 K281 L282 Y316 L317 V319	M235-I237 HydrophobicContact CE-CD1 3.81Å; M235-I237 HydrophobicContact CE-CG1 3.88Å; I237-L239 HydrophobicContact CG2-CD2 3.82Å; I237-L239 HydrophobicContact CG2-CG 4.1Å; I237-D279 WeakPolarHBondContact CG2-OD2 3.17Å; I237-K281 HydrophobicContact CD1-CB 3.95Å; I237-K281 HydrophobicContact CG1-CB 4.12Å; I237-K281 HydrophobicContact CG2-CB 4.34Å; I237-L282 HydrophobicContact CD1-CB 4.02Å; I237-L282 HydrophobicContact CD1-CD1 3.7Å; I237-Y316 CarbonylContact O-C 3.53Å; I237-Y316 WeakPolarHBondContact O-CA 3.23Å; I237-L317 HydrophobicContact CB-CB 4.46Å; I237-L317 PolarHBondContact N-O 2.98Å; I237-L317 PolarHBondContact O-N 3.35Å; I237-V319 HydrophobicContact CD1-CB 4.42Å; I237-V319 HydrophobicContact CD1-CG2 3.92Å; I237-V319 HydrophobicContact CG1-CG2 4.34Å
238	K	92.9	Very high	78.8	Confident	93 Å²	93	79.1 Å²	79.1	40%	0.404	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	112.4	172.2	-176	179.5	-177.8	162.8	0	110.3	V315 Y316	K238-V315 CarbonylContact C-O 3.47Å; K238-V315 WeakPolarHBondContact CA-O 3.39Å; K238-Y316 HydrophobicContact CB-CD1 4.24Å; K238-Y316 HydrophobicContact CB-CE1 4.19Å; K238-Y316 HydrophobicContact CD-CE1 3.85Å; K238-Y316 HydrophobicContact CD-CE2 4.14Å; K238-Y316 WeakPolarHBondContact CE-OH 3.15Å; K238-Y316 HydrophobicContact CG-CD1 4.37Å; K238-Y316 HydrophobicContact CG-CE1 4.1Å; K238-Y316 HydrophobicContact CG-CE2 4.3Å; K238-Y316 PolarHBondContact NZ-OH 3.33Å
239	L	91.5	Very high	80.2	Confident	2 Å²	2	77 Å²	77	1%	0.01	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	156.3	173.5	-60	-176.8	0	0	0	111.5	I237 L246 F248 A276 D279 V315 L317	I237-L239 HydrophobicContact CG2-CD2 3.82Å; I237-L239 HydrophobicContact CG2-CG 4.1Å; L239-L246 HydrophobicContact CB-CD2 4.17Å; L239-L246 HydrophobicContact CD1-CB 4.5Å; L239-L246 HydrophobicContact CD1-CD2 4.48Å; L239-F248 HydrophobicContact CD1-CD1 4.25Å; L239-F248 HydrophobicContact CD1-CE1 3.84Å; L239-A276 HydrophobicContact CD1-CB 4.01Å; L239-D279 HydrophobicContact CD2-CB 3.47Å; L239-D279 VanDerWaalsContact CD2-CB 3.47Å; L239-V315 PolarHBondContact N-O 2.96Å; L239-V315 PolarHBondContact O-N 2.81Å; L239-L317 HydrophobicContact CD1-CD1 3.74Å; L239-L317 HydrophobicContact CG-CD1 4.36Å
240	I	90.3	Very high	82.3	Confident	105 Å²	105	72.5 Å²	72.5	54%	0.538	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	129.2	169.1	-52.7	-178.6	0	0	0	108	G242 A275 D313 F314	I240-G242 PolarHBondContact O-N 2.95Å; I240-A275 WeakPolarHBondContact O-CB 3.45Å; I240-D313 CarbonylContact C-O 3.57Å; I240-D313 VanDerWaalsContact CA-O 3.29Å; I240-D313 WeakPolarHBondContact CA-O 3.18Å; I240-F314 HydrophobicContact CD1-CD1 4.42Å; I240-F314 HydrophobicContact CD1-CE1 3.82Å; I240-F314 HydrophobicContact CG1-CD1 3.9Å; I240-F314 HydrophobicContact CG1-CE1 3.8Å
241	K	87.6	Confident	83.9	Confident	62 Å²	62	68.1 Å²	68.1	27%	0.27	37%	0.365	S	S	.	.			trans	-67.2	116.9	-175	-156.5	162.9	179.8	164.4	0	109.9	L246 K309 T311 D313	K241-L246 HydrophobicContact CB-CD2 4.36Å; K241-L246 HydrophobicContact CG-CD2 4.32Å; K241-K309 PolarHBondContact NZ-O 3.47Å; K241-T311 PolarHBondContact NZ-O 3.37Å; K241-T311 PolarHBondContact NZ-OG1 3.29Å; K241-D313 PolarHBondContact N-O 3.19Å
242	G	82	Confident	85.7	Confident	26 Å²	26	63.2 Å²	63.2	27%	0.268	33%	0.331	S	S	.	.	B	Isolated β-bridge	trans	-82.9	176.4	178.5	0	0	0	0	0	112.8	I240 K244 G245	I240-G242 PolarHBondContact O-N 2.95Å; G242-K244 PolarHBondContact O-N 3.26Å; G242-G245 WeakPolarHBondContact CA-O 3.31Å; G242-G245 PolarHBondContact N-O 3.33Å; G242-G245 PolarHBondContact O-N 2.67Å
243	P	75.5	Confident	86.5	Confident	148 Å²	148	59.4 Å²	59.4	96%	0.961	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-10.9	178	27.5	-36	0	0	0	114.1
244	K	76.8	Confident	86.8	Confident	193 Å²	193	54.9 Å²	54.9	84%	0.839	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.8	28.6	170.6	-63.1	-174.1	177.4	-177.4	0	112	G242	G242-K244 PolarHBondContact O-N 3.26Å
245	G	87.3	Confident	86.1	Confident	25 Å²	25	54.2 Å²	54.2	26%	0.258	32%	0.315	S	S	.	.	B	Isolated β-bridge	trans	75.5	-149.6	-176.6	0	0	0	0	0	113.7	G242 G247	G242-G245 WeakPolarHBondContact CA-O 3.31Å; G242-G245 PolarHBondContact N-O 3.33Å; G242-G245 PolarHBondContact O-N 2.67Å; G245-G247 PolarHBondContact O-N 3.38Å
246	L	89.3	Confident	85.6	Confident	18 Å²	18	55.1 Å²	55.1	9%	0.094	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-13	-172.5	-61.5	172.2	0	0	0	114.5	L239 K241 F248 A275 A276 L308 V315	L239-L246 HydrophobicContact CB-CD2 4.17Å; L239-L246 HydrophobicContact CD1-CB 4.5Å; L239-L246 HydrophobicContact CD1-CD2 4.48Å; K241-L246 HydrophobicContact CB-CD2 4.36Å; K241-L246 HydrophobicContact CG-CD2 4.32Å; L246-F248 HydrophobicContact CB-CD1 3.85Å; L246-F248 HydrophobicContact CB-CE1 3.55Å; L246-F248 HydrophobicContact CB-CZ 4.47Å; L246-F248 HydrophobicContact CD1-CE1 3.99Å; L246-F248 HydrophobicContact CD1-CZ 4.25Å; L246-F248 HydrophobicContact CG-CE1 4.38Å; L246-A275 WeakPolarHBondContact O-CB 3.2Å; L246-A276 WeakPolarHBondContact O-CB 3.37Å; L246-A276 PolarHBondContact O-N 2.9Å; L246-L308 HydrophobicContact CD1-CD2 4.03Å; L246-V315 HydrophobicContact CD1-CB 4.41Å; L246-V315 HydrophobicContact CD1-CG1 4.18Å; L246-V315 HydrophobicContact CD1-CG2 4.21Å; L246-V315 HydrophobicContact CD2-CB 3.98Å; L246-V315 HydrophobicContact CD2-CG2 3.66Å; L246-V315 HydrophobicContact CG-CG2 4.5Å
247	G	89.1	Confident	84.6	Confident	5 Å²	5	52.7 Å²	52.7	5%	0.052	31%	0.309	C	S	.	.	S	Bend	trans	74.5	31.7	173.8	0	0	0	0	0	115.2	G245 I271	G245-G247 PolarHBondContact O-N 3.38Å; G247-I271 WeakPolarHBondContact O-CB 3.47Å; G247-I271 PolarHBondContact O-N 2.66Å
248	F	93.4	Very high	83.7	Confident	24 Å²	24	57.2 Å²	57.2	11%	0.105	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	161.1	169	66.9	-90.4	0	0	0	111	L239 L246 I250 V267 K269 I270 A276 L282 L288 L308 L317	L239-F248 HydrophobicContact CD1-CD1 4.25Å; L239-F248 HydrophobicContact CD1-CE1 3.84Å; L246-F248 HydrophobicContact CB-CD1 3.85Å; L246-F248 HydrophobicContact CB-CE1 3.55Å; L246-F248 HydrophobicContact CB-CZ 4.47Å; L246-F248 HydrophobicContact CD1-CE1 3.99Å; L246-F248 HydrophobicContact CD1-CZ 4.25Å; L246-F248 HydrophobicContact CG-CE1 4.38Å; F248-I250 HydrophobicContact CD2-CG2 3.98Å; F248-I250 HydrophobicContact CE2-CG2 3.73Å; F248-V267 HydrophobicContact CB-CG1 4.24Å; F248-V267 HydrophobicContact CD2-CG1 4.33Å; F248-V267 HydrophobicContact CD2-CG2 4.25Å; F248-K269 CarbonylContact C-O 3.51Å; F248-K269 WeakPolarHBondContact CA-O 3.25Å; F248-K269 WeakPolarHBondContact CB-O 3.35Å; F248-I270 HydrophobicContact CB-CG1 4.34Å; F248-A276 HydrophobicContact CB-CB 4.24Å; F248-A276 HydrophobicContact CD1-CB 3.85Å; F248-A276 HydrophobicContact CG-CB 4.48Å; F248-L282 HydrophobicContact CB-CD2 3.92Å; F248-L282 HydrophobicContact CD1-CD2 3.55Å; F248-L282 HydrophobicContact CD2-CD2 3.99Å; F248-L282 HydrophobicContact CE1-CD2 3.94Å; F248-L282 HydrophobicContact CE2-CD2 4.37Å; F248-L282 HydrophobicContact CG-CD2 3.55Å; F248-L282 HydrophobicContact CZ-CD2 4.33Å; F248-L288 HydrophobicContact CE2-CD1 3.88Å; F248-L288 HydrophobicContact CZ-CD1 4.42Å; F248-L308 HydrophobicContact CE2-CD1 4.15Å; F248-L308 HydrophobicContact CE2-CD2 4.26Å; F248-L308 HydrophobicContact CZ-CD1 4.44Å; F248-L308 HydrophobicContact CZ-CD2 3.75Å; F248-L317 HydrophobicContact CE1-CD1 3.74Å; F248-L317 HydrophobicContact CZ-CD1 3.7Å; F248-L317 HydrophobicContact CZ-CD2 4.36Å
249	S	89	Confident	82.6	Confident	48 Å²	48	56.5 Å²	56.5	34%	0.336	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	153.4	175.1	-58.1	0	0	0	0	110.8	V267 T268 K269	S249-V267 WeakPolarHBondContact O-CA 3.35Å; S249-T268 PolarHBondContact O-N 3.11Å; S249-T268 PolarHBondContact O-OG1 2.85Å; S249-K269 PolarHBondContact N-O 2.85Å
250	I	92.8	Very high	80.5	Confident	25 Å²	25	62.2 Å²	62.2	13%	0.128	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	158.5	175.4	60.1	157.9	0	0	0	112.3	F248 I265 Y266 L288 A304 V305 L308	F248-I250 HydrophobicContact CD2-CG2 3.98Å; F248-I250 HydrophobicContact CE2-CG2 3.73Å; I250-I265 HydrophobicContact CB-CG2 3.88Å; I250-I265 HydrophobicContact CD1-CG2 3.65Å; I250-I265 HydrophobicContact CG1-CG2 4.38Å; I250-I265 HydrophobicContact CG2-CG2 4.07Å; I250-Y266 CarbonylContact C-O 3.49Å; I250-Y266 WeakPolarHBondContact CA-O 3.48Å; I250-L288 HydrophobicContact CG2-CD1 3.58Å; I250-A304 HydrophobicContact CD1-CB 3.85Å; I250-V305 HydrophobicContact CD1-CG2 3.95Å; I250-V305 HydrophobicContact CG1-CG2 4.34Å; I250-L308 HydrophobicContact CD1-CD1 3.69Å; I250-L308 HydrophobicContact CG1-CD1 4.09Å; I250-L308 HydrophobicContact CG2-CD1 3.93Å
251	A	82.1	Confident	79.1	Confident	23 Å²	23	59.8 Å²	59.8	19%	0.19	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	170.1	163	0	0	0	0	0	109.6	H258 Y266 T268	A251-H258 HydrophobicContact CB-CB 4.08Å; A251-Y266 PolarHBondContact N-O 2.68Å; A251-Y266 PolarHBondContact O-N 3.03Å; A251-T268 HydrophobicContact CB-CG2 3.45Å; A251-T268 VanDerWaalsContact CB-CG2 3.45Å
252	G	86.9	Confident	78.5	Confident	1 Å²	1	58.8 Å²	58.8	1%	0.01	37%	0.366	C	S	.	.			trans	101.4	174.6	-175.3	0	0	0	0	0	112.6	N256 S264 I265 H301	G252-N256 CarbonylContact C-O 3.5Å; G252-N256 WeakPolarHBondContact CA-O 3.41Å; G252-S264 WeakPolarHBondContact CA-O 3.36Å; G252-I265 WeakPolarHBondContact O-CD1 3.48Å; G252-H301 WeakPolarHBondContact O-CB 3.41Å; G252-H301 PolarHBondContact O-ND1 2.93Å
253	G	83.2	Confident	78.4	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	36%	0.36	C	S	.	.			trans	125.3	158.2	-174.2	0	0	0	0	0	112.2	G255 N256 Q257 N263 V299	G253-G255 PolarHBondContact O-N 2.8Å; G253-N256 CarbonylContact O-C 3.54Å; G253-N256 PolarHBondContact O-N 3.11Å; G253-Q257 PolarHBondContact O-N 2.91Å; G253-N263 CarbonylContact C-O 3.37Å; G253-N263 WeakPolarHBondContact CA-O 3.46Å; G253-N263 PolarHBondContact N-O 3.46Å; G253-N263 VanDerWaalsContact N-O 3.12Å; G253-V299 CarbonylContact C-O 3.58Å; G253-V299 WeakPolarHBondContact CA-O 3.16Å
254	V	77.3	Confident	79	Confident	60 Å²	60	52.4 Å²	52.4	36%	0.364	32%	0.318	S	S	.	.	B	Isolated β-bridge	trans	-56.2	124.9	173.7	177.8	0	0	0	0	109.8	N256 N263 E298 V299	V254-N256 PolarHBondContact O-N 3.27Å; V254-N263 HydrophobicContact CG2-CB 3.83Å; V254-E298 VanDerWaalsContact CG2-C 3.47Å; V254-E298 HydrophobicContact CG2-CB 4.41Å; V254-E298 VanDerWaalsContact CG2-O 3.24Å; V254-E298 WeakPolarHBondContact CG2-O 3.43Å; V254-V299 PolarHBondContact N-O 2.91Å
255	G	70.9	Confident	79.8	Confident	80 Å²	80	43.2 Å²	43.2	83%	0.825	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.2	-7.9	-176.6	0	0	0	0	0	115.5	G253	G253-G255 PolarHBondContact O-N 2.8Å
256	N	75.1	Confident	80	Confident	83 Å²	83	43 Å²	43	44%	0.444	27%	0.27	S	S	.	.	S	Bend	trans	-137.9	53.9	178.6	-168.5	7.1	0	0	0	110.6	G252 G253 V254 H258 H301	G252-N256 CarbonylContact C-O 3.5Å; G252-N256 WeakPolarHBondContact CA-O 3.41Å; G253-N256 CarbonylContact O-C 3.54Å; G253-N256 PolarHBondContact O-N 3.11Å; V254-N256 PolarHBondContact O-N 3.27Å; N256-H258 PolarHBondContact O-N 3.12Å; N256-H301 HydrophobicContact CB-CB 4.19Å
257	Q	70.9	Confident	80.1	Confident	85 Å²	85	42.2 Å²	42.2	40%	0.397	27%	0.266	S	S	.	.			trans	-63.9	126.1	-172.9	-65.4	-177.5	-23.4	0	0	112	G253 D262 N263	G253-Q257 PolarHBondContact O-N 2.91Å; Q257-D262 WeakPolarHBondContact CB-O 3.19Å; Q257-D262 WeakPolarHBondContact CG-O 3.38Å; Q257-N263 WeakPolarHBondContact CG-OD1 3.46Å; Q257-N263 PolarHBondContact NE2-OD1 3.36Å
258	H	74	Confident	79.9	Confident	96 Å²	96	44.2 Å²	44.2	44%	0.444	28%	0.277	S	S	.	.	S	Bend	trans	-77.7	-34.2	174.4	-175.6	49.5	0	0	0	112	A251 N256 Y266	A251-H258 HydrophobicContact CB-CB 4.08Å; N256-H258 PolarHBondContact O-N 3.12Å; H258-Y266 HydrophobicContact CB-CD2 4.12Å; H258-Y266 AromaticContact CD2-CG 3.99Å
259	I	69.4	Low	79.4	Confident	78 Å²	78	49.3 Å²	49.3	40%	0.4	30%	0.299	S	S	.	.	B	Isolated β-bridge	trans	-116.9	121.9	173.4	-58.9	-178.7	0	0	0	106.3	G261 D262 Y266	I259-G261 PolarHBondContact O-N 3.12Å; I259-D262 HydrophobicContact CB-CB 4.23Å; I259-D262 PolarHBondContact O-N 2.95Å; I259-Y266 HydrophobicContact CD1-CE1 4Å; I259-Y266 HydrophobicContact CD1-CE2 3.92Å; I259-Y266 HydrophobicContact CG1-CE2 4.18Å
260	P	48.3	Very low	79.4	Confident	122 Å²	122	48.8 Å²	48.8	79%	0.792	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	125.2	-177.3	-27.5	35.6	0	0	0	112.5
261	G	60	Low	79	Confident	53 Å²	53	51 Å²	51	55%	0.546	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.3	-5.8	-174.8	0	0	0	0	0	115.5	I259	I259-G261 PolarHBondContact O-N 3.12Å
262	D	75.2	Confident	79.2	Confident	42 Å²	42	57.8 Å²	57.8	23%	0.225	33%	0.331	C	S	.	.	B	Isolated β-bridge	trans	-119.4	122.2	177.6	-162.3	-32	0	0	0	111	Q257 I259 S264 Y266	Q257-D262 WeakPolarHBondContact CB-O 3.19Å; Q257-D262 WeakPolarHBondContact CG-O 3.38Å; I259-D262 HydrophobicContact CB-CB 4.23Å; I259-D262 PolarHBondContact O-N 2.95Å; D262-S264 VanDerWaalsContact C-N 3.33Å; D262-S264 WeakPolarHBondContact OD1-CB 3.33Å; D262-S264 PolarHBondContact OD1-N 3.32Å; D262-S264 PolarHBondContact OD1-OG 3.31Å; D262-Y266 PolarHBondContact OD2-OH 3.24Å; D262-Y266 VanDerWaalsContact OD2-OH 3.08Å
263	N	80.4	Confident	79	Confident	28 Å²	28	59.6 Å²	59.6	15%	0.15	35%	0.35	C	S	.	.			trans	-86.2	-1	179	-64.8	-39.3	0	0	0	113.1	G253 V254 Q257 E298	G253-N263 CarbonylContact C-O 3.37Å; G253-N263 WeakPolarHBondContact CA-O 3.46Å; G253-N263 PolarHBondContact N-O 3.46Å; G253-N263 VanDerWaalsContact N-O 3.12Å; V254-N263 HydrophobicContact CG2-CB 3.83Å; Q257-N263 WeakPolarHBondContact CG-OD1 3.46Å; Q257-N263 PolarHBondContact NE2-OD1 3.36Å; N263-E298 PolarHBondContact ND2-OE2 3.03Å
264	S	88.3	Confident	79.2	Confident	12 Å²	12	60.3 Å²	60.3	8%	0.084	36%	0.357	C	S	.	.			trans	-62.2	154	-177.3	-56.4	0	0	0	0	113.5	G252 D262 Y266 K287	G252-S264 WeakPolarHBondContact CA-O 3.36Å; D262-S264 VanDerWaalsContact C-N 3.33Å; D262-S264 WeakPolarHBondContact OD1-CB 3.33Å; D262-S264 PolarHBondContact OD1-N 3.32Å; D262-S264 PolarHBondContact OD1-OG 3.31Å; S264-Y266 VanDerWaalsContact O-CD2 3.32Å; S264-Y266 WeakPolarHBondContact O-CD2 3.43Å; S264-Y266 WeakPolarHBondContact O-CE2 3.4Å; S264-K287 WeakPolarHBondContact OG-CE 3.47Å; S264-K287 PolarHBondContact OG-NZ 2.92Å; S264-K287 VanDerWaalsContact OG-NZ 3.13Å
265	I	92.6	Very high	79.8	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	130.3	175.2	-51.6	-56.8	0	0	0	110.3	I250 G252 K287 L288 L296 V299 A304	I250-I265 HydrophobicContact CB-CG2 3.88Å; I250-I265 HydrophobicContact CD1-CG2 3.65Å; I250-I265 HydrophobicContact CG1-CG2 4.38Å; I250-I265 HydrophobicContact CG2-CG2 4.07Å; G252-I265 WeakPolarHBondContact O-CD1 3.48Å; I265-K287 CarbonylContact O-C 3.58Å; I265-K287 WeakPolarHBondContact O-CA 3.36Å; I265-L288 HydrophobicContact CB-CB 4.31Å; I265-L288 HydrophobicContact CG2-CB 4.27Å; I265-L288 HydrophobicContact CG2-CD1 4.17Å; I265-L288 PolarHBondContact O-N 2.84Å; I265-L296 HydrophobicContact CB-CD1 4.49Å; I265-L296 HydrophobicContact CG1-CB 4.06Å; I265-L296 HydrophobicContact CG1-CD1 4.34Å; I265-V299 HydrophobicContact CD1-CG2 4.14Å; I265-V299 HydrophobicContact CG1-CG2 4.11Å; I265-A304 HydrophobicContact CD1-CB 3.57Å; I265-A304 HydrophobicContact CG1-CB 3.69Å; I265-A304 HydrophobicContact CG2-CB 4.29Å
266	Y	92.6	Very high	80.8	Confident	21 Å²	21	54.4 Å²	54.4	8%	0.082	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	146.3	-179	-67.3	-88.7	0	0	0	112.6	I250 A251 H258 I259 D262 S264 T268 D286 K287	I250-Y266 CarbonylContact C-O 3.49Å; I250-Y266 WeakPolarHBondContact CA-O 3.48Å; A251-Y266 PolarHBondContact N-O 2.68Å; A251-Y266 PolarHBondContact O-N 3.03Å; H258-Y266 HydrophobicContact CB-CD2 4.12Å; H258-Y266 AromaticContact CD2-CG 3.99Å; I259-Y266 HydrophobicContact CD1-CE1 4Å; I259-Y266 HydrophobicContact CD1-CE2 3.92Å; I259-Y266 HydrophobicContact CG1-CE2 4.18Å; D262-Y266 PolarHBondContact OD2-OH 3.24Å; D262-Y266 VanDerWaalsContact OD2-OH 3.08Å; S264-Y266 VanDerWaalsContact O-CD2 3.32Å; S264-Y266 WeakPolarHBondContact O-CD2 3.43Å; S264-Y266 WeakPolarHBondContact O-CE2 3.4Å; Y266-T268 PolarHBondContact O-N 2.98Å; Y266-D286 CarbonylContact C-O 3.6Å; Y266-D286 WeakPolarHBondContact CA-O 3.38Å; Y266-K287 HydrophobicContact CD1-CB 4.01Å; Y266-K287 HydrophobicContact CE1-CB 3.78Å; Y266-K287 HydrophobicContact CE1-CD 4.06Å; Y266-K287 HydrophobicContact CE1-CG 4.25Å
267	V	91.3	Very high	81.5	Confident	1 Å²	1	55 Å²	55	1%	0.006	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	112.9	172	-179.8	0	0	0	0	109.7	F248 S249 I270 L282 Q283 I284 G285 D286 L288	F248-V267 HydrophobicContact CB-CG1 4.24Å; F248-V267 HydrophobicContact CD2-CG1 4.33Å; F248-V267 HydrophobicContact CD2-CG2 4.25Å; S249-V267 WeakPolarHBondContact O-CA 3.35Å; V267-I270 HydrophobicContact CG1-CG1 4.25Å; V267-L282 HydrophobicContact CG1-CD2 4.13Å; V267-L282 HydrophobicContact CG1-CG 4.4Å; V267-L282 HydrophobicContact CG2-CD1 4.05Å; V267-L282 HydrophobicContact CG2-CD2 4.01Å; V267-L282 HydrophobicContact CG2-CG 4.11Å; V267-Q283 WeakPolarHBondContact CG1-O 3.45Å; V267-I284 WeakPolarHBondContact O-CA 3.39Å; V267-G285 PolarHBondContact O-N 2.9Å; V267-D286 HydrophobicContact CB-CB 4.2Å; V267-D286 HydrophobicContact CG2-CB 4.02Å; V267-D286 PolarHBondContact N-O 3.09Å; V267-L288 HydrophobicContact CG2-CD1 4.24Å; V267-L288 HydrophobicContact CG2-CD2 3.83Å; V267-L288 HydrophobicContact CG2-CG 3.97Å
268	T	84.2	Confident	82.3	Confident	47 Å²	47	58.7 Å²	58.7	29%	0.288	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	-22.8	-175.7	50.7	0	0	0	0	114.2	S249 A251 Y266 I284	S249-T268 PolarHBondContact O-N 3.11Å; S249-T268 PolarHBondContact O-OG1 2.85Å; A251-T268 HydrophobicContact CB-CG2 3.45Å; A251-T268 VanDerWaalsContact CB-CG2 3.45Å; Y266-T268 PolarHBondContact O-N 2.98Å; T268-I284 WeakPolarHBondContact O-CG2 3.35Å
269	K	83.8	Confident	83	Confident	131 Å²	131	56.4 Å²	56.4	57%	0.57	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-152.6	145.4	179.6	-169	167.1	-176	169.2	0	110.7	F248 S249	F248-K269 CarbonylContact C-O 3.51Å; F248-K269 WeakPolarHBondContact CA-O 3.25Å; F248-K269 WeakPolarHBondContact CB-O 3.35Å; S249-K269 PolarHBondContact N-O 2.85Å
270	I	87.4	Confident	83.9	Confident	36 Å²	36	55.1 Å²	55.1	19%	0.185	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	137.9	166.6	-67.9	174	0	0	0	107.8	F248 V267 H277 L282 I284	F248-I270 HydrophobicContact CB-CG1 4.34Å; V267-I270 HydrophobicContact CG1-CG1 4.25Å; I270-H277 HydrophobicContact CG2-CB 3.73Å; I270-L282 HydrophobicContact CD1-CB 4.46Å; I270-L282 WeakPolarHBondContact CD1-O 3.21Å; I270-I284 HydrophobicContact CD1-CG1 4.49Å; I270-I284 HydrophobicContact CG1-CG1 4.25Å
271	I	86	Confident	85.8	Confident	72 Å²	72	54 Å²	54	37%	0.369	30%	0.301	S	S	.	.			trans	-95.2	115	-176.7	-56.5	179.7	0	0	0	108	G247 G273 G274 H277	G247-I271 WeakPolarHBondContact O-CB 3.47Å; G247-I271 PolarHBondContact O-N 2.66Å; I271-G273 PolarHBondContact O-N 2.97Å; I271-G274 WeakPolarHBondContact O-CA 3.25Å; I271-G274 PolarHBondContact O-N 3.16Å; I271-H277 VanDerWaalsContact O-CB 3.3Å; I271-H277 WeakPolarHBondContact O-CB 3.38Å
272	E	84.9	Confident	87.4	Confident	166 Å²	166	51.6 Å²	51.6	78%	0.776	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	135.8	178.5	-164.6	-177.8	163.9	0	0	112	G274	E272-G274 PolarHBondContact O-N 3.08Å
273	G	82.6	Confident	88	Confident	39 Å²	39	55 Å²	55	40%	0.402	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.3	-5.2	-174.1	0	0	0	0	0	115.8	I271 H277 K278	I271-G273 PolarHBondContact O-N 2.97Å; G273-H277 PolarHBondContact N-ND1 3.37Å; G273-K278 WeakPolarHBondContact O-CE 3.19Å; G273-K278 PolarHBondContact O-NZ 3.45Å
274	G	87.3	Confident	88.2	Confident	15 Å²	15	58.9 Å²	58.9	16%	0.155	31%	0.31	C	S	.	.	S	Bend	trans	-71.8	176.8	172.8	0	0	0	0	0	113.6	I271 E272 H277 K278	I271-G274 WeakPolarHBondContact O-CA 3.25Å; I271-G274 PolarHBondContact O-N 3.16Å; E272-G274 PolarHBondContact O-N 3.08Å; G274-H277 PolarHBondContact O-N 2.81Å; G274-K278 WeakPolarHBondContact O-CG 3.43Å; G274-K278 PolarHBondContact O-N 3.15Å
275	A	89.8	Confident	87.9	Confident	16 Å²	16	59.9 Å²	59.9	13%	0.132	32%	0.323	C	S	.	.	H	α-helix	trans	-67.3	-48.1	-173.6	0	0	0	0	0	113.2	I240 L246 H277 K278 D279	I240-A275 WeakPolarHBondContact O-CB 3.45Å; L246-A275 WeakPolarHBondContact O-CB 3.2Å; A275-H277 VanDerWaalsContact C-N 3.31Å; A275-H277 PolarHBondContact O-N 2.8Å; A275-K278 PolarHBondContact O-N 3.02Å; A275-K278 VanDerWaalsContact O-N 3.15Å; A275-D279 PolarHBondContact O-N 2.79Å
276	A	91.9	Very high	87.7	Confident	0 Å²	0	60 Å²	60	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-60.3	-39.1	174.9	0	0	0	0	0	112.8	L239 L246 F248 K278 D279 G280 L282	L239-A276 HydrophobicContact CD1-CB 4.01Å; L246-A276 WeakPolarHBondContact O-CB 3.37Å; L246-A276 PolarHBondContact O-N 2.9Å; F248-A276 HydrophobicContact CB-CB 4.24Å; F248-A276 HydrophobicContact CD1-CB 3.85Å; F248-A276 HydrophobicContact CG-CB 4.48Å; A276-K278 VanDerWaalsContact C-N 3.32Å; A276-K278 PolarHBondContact O-N 2.94Å; A276-D279 PolarHBondContact O-N 2.98Å; A276-G280 PolarHBondContact O-N 2.79Å; A276-L282 HydrophobicContact CB-CB 4.31Å; A276-L282 HydrophobicContact CB-CD2 3.89Å
277	H	90.2	Very high	87.6	Confident	94 Å²	94	60.3 Å²	60.3	44%	0.435	33%	0.325	S	S	.	.	H	α-helix	trans	-62.6	-36.9	174.7	-172.3	-87.1	0	0	0	112.8	I270 I271 G273 G274 A275	I270-H277 HydrophobicContact CG2-CB 3.73Å; I271-H277 VanDerWaalsContact O-CB 3.3Å; I271-H277 WeakPolarHBondContact O-CB 3.38Å; G273-H277 PolarHBondContact N-ND1 3.37Å; G274-H277 PolarHBondContact O-N 2.81Å; A275-H277 VanDerWaalsContact C-N 3.31Å; A275-H277 PolarHBondContact O-N 2.8Å
278	K	88.3	Confident	87.7	Confident	164 Å²	164	60.4 Å²	60.4	71%	0.713	33%	0.325	S	S	*	.	H	α-helix	trans	-76.3	-25.2	177.7	-77.4	169.5	170.4	155.9	0	113.8	G273 G274 A275 A276	G273-K278 WeakPolarHBondContact O-CE 3.19Å; G273-K278 PolarHBondContact O-NZ 3.45Å; G274-K278 WeakPolarHBondContact O-CG 3.43Å; G274-K278 PolarHBondContact O-N 3.15Å; A275-K278 PolarHBondContact O-N 3.02Å; A275-K278 VanDerWaalsContact O-N 3.15Å; A276-K278 VanDerWaalsContact C-N 3.32Å; A276-K278 PolarHBondContact O-N 2.94Å
279	D	89.7	Confident	88.1	Confident	48 Å²	48	58.7 Å²	58.7	26%	0.257	31%	0.314	S	S	.	.	H	α-helix	trans	-83.7	-31.1	173.9	-173.8	76.2	0	0	0	113	I237 L239 A275 A276 K281	I237-D279 WeakPolarHBondContact CG2-OD2 3.17Å; L239-D279 HydrophobicContact CD2-CB 3.47Å; L239-D279 VanDerWaalsContact CD2-CB 3.47Å; A275-D279 PolarHBondContact O-N 2.79Å; A276-D279 PolarHBondContact O-N 2.98Å; D279-K281 PolarHBondContact O-N 3.25Å; D279-K281 VanDerWaalsContact O-N 3.08Å; D279-K281 PolarHBondContact O-NZ 3.13Å; D279-K281 IonicContact OD1-NZ 3.92Å; D279-K281 PolarHBondContact OD1-NZ 3.23Å; D279-K281 WeakPolarHBondContact OD2-CB 3.36Å; D279-K281 WeakPolarHBondContact OD2-CD 3.46Å; D279-K281 VanDerWaalsContact OD2-CG 3.3Å; D279-K281 WeakPolarHBondContact OD2-CG 3.06Å; D279-K281 IonicContact OD2-NZ 3.3Å; D279-K281 PolarHBondContact OD2-NZ 3.36Å
280	G	87	Confident	88.5	Confident	51 Å²	51	53.1 Å²	53.1	53%	0.526	29%	0.293	S	S	.	.			trans	72.7	-8.5	171	0	0	0	0	0	116.6	A276	A276-G280 PolarHBondContact O-N 2.79Å
281	K	89.1	Confident	88.8	Confident	98 Å²	98	51.5 Å²	51.5	43%	0.426	29%	0.285	S	S	.	.			trans	-81.6	-31.2	-177.8	-60.3	175.6	-158.7	63.6	0	113.5	M235 I237 D279 K321	M235-K281 HydrophobicContact CE-CB 4.05Å; I237-K281 HydrophobicContact CD1-CB 3.95Å; I237-K281 HydrophobicContact CG1-CB 4.12Å; I237-K281 HydrophobicContact CG2-CB 4.34Å; D279-K281 PolarHBondContact O-N 3.25Å; D279-K281 VanDerWaalsContact O-N 3.08Å; D279-K281 PolarHBondContact O-NZ 3.13Å; D279-K281 IonicContact OD1-NZ 3.92Å; D279-K281 PolarHBondContact OD1-NZ 3.23Å; D279-K281 WeakPolarHBondContact OD2-CB 3.36Å; D279-K281 WeakPolarHBondContact OD2-CD 3.46Å; D279-K281 VanDerWaalsContact OD2-CG 3.3Å; D279-K281 WeakPolarHBondContact OD2-CG 3.06Å; D279-K281 IonicContact OD2-NZ 3.3Å; D279-K281 PolarHBondContact OD2-NZ 3.36Å; K281-K321 WeakPolarHBondContact O-CE 3.39Å; K281-K321 PolarHBondContact O-NZ 3.45Å
282	L	92.1	Very high	89	Confident	3 Å²	3	50.8 Å²	50.8	2%	0.016	28%	0.281	C	S	.	.			trans	-76.1	139.5	174.5	-160.5	75.6	0	0	0	108.6	I237 F248 V267 I270 A276 D286 L288 L317 V319	I237-L282 HydrophobicContact CD1-CB 4.02Å; I237-L282 HydrophobicContact CD1-CD1 3.7Å; F248-L282 HydrophobicContact CB-CD2 3.92Å; F248-L282 HydrophobicContact CD1-CD2 3.55Å; F248-L282 HydrophobicContact CD2-CD2 3.99Å; F248-L282 HydrophobicContact CE1-CD2 3.94Å; F248-L282 HydrophobicContact CE2-CD2 4.37Å; F248-L282 HydrophobicContact CG-CD2 3.55Å; F248-L282 HydrophobicContact CZ-CD2 4.33Å; V267-L282 HydrophobicContact CG1-CD2 4.13Å; V267-L282 HydrophobicContact CG1-CG 4.4Å; V267-L282 HydrophobicContact CG2-CD1 4.05Å; V267-L282 HydrophobicContact CG2-CD2 4.01Å; V267-L282 HydrophobicContact CG2-CG 4.11Å; I270-L282 HydrophobicContact CD1-CB 4.46Å; I270-L282 WeakPolarHBondContact CD1-O 3.21Å; A276-L282 HydrophobicContact CB-CB 4.31Å; A276-L282 HydrophobicContact CB-CD2 3.89Å; L282-D286 WeakPolarHBondContact CA-OD2 3.08Å; L282-D286 HydrophobicContact CD1-CB 4.38Å; L282-L288 HydrophobicContact CD1-CD2 4.22Å; L282-L317 HydrophobicContact CD1-CD1 4.32Å; L282-L317 HydrophobicContact CD2-CD1 4.48Å; L282-V319 HydrophobicContact CD1-CG1 4.24Å; L282-V319 HydrophobicContact CD1-CG2 4Å
283	Q	88.6	Confident	89	Confident	112 Å²	112	50.8 Å²	50.8	52%	0.523	29%	0.287	S	S	.	.			trans	-133	163.3	179.4	-68.2	170.1	-59.8	0	0	110.6	V267 D286	V267-Q283 WeakPolarHBondContact CG1-O 3.45Å; Q283-D286 PolarHBondContact N-OD2 3Å; Q283-D286 VanDerWaalsContact O-CB 3.26Å; Q283-D286 WeakPolarHBondContact O-CB 3.41Å; Q283-D286 PolarHBondContact O-N 2.83Å
284	I	84.7	Confident	89.3	Confident	110 Å²	110	52.6 Å²	52.6	56%	0.564	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	136.1	173.2	-62.2	174	0	0	0	108.4	V267 T268 I270	V267-I284 WeakPolarHBondContact O-CA 3.39Å; T268-I284 WeakPolarHBondContact O-CG2 3.35Å; I270-I284 HydrophobicContact CD1-CG1 4.49Å; I270-I284 HydrophobicContact CG1-CG1 4.25Å
285	G	81	Confident	89.4	Confident	34 Å²	34	55.1 Å²	55.1	35%	0.351	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.1	-4.6	-171.3	0	0	0	0	0	114.6	V267	V267-G285 PolarHBondContact O-N 2.9Å
286	D	88.8	Confident	89.4	Confident	2 Å²	2	54.4 Å²	54.4	1%	0.011	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-63.8	137.7	170.9	-78.6	4.8	0	0	0	111.3	Y266 V267 L282 Q283 V319 K321	Y266-D286 CarbonylContact C-O 3.6Å; Y266-D286 WeakPolarHBondContact CA-O 3.38Å; V267-D286 HydrophobicContact CB-CB 4.2Å; V267-D286 HydrophobicContact CG2-CB 4.02Å; V267-D286 PolarHBondContact N-O 3.09Å; L282-D286 WeakPolarHBondContact CA-OD2 3.08Å; L282-D286 HydrophobicContact CD1-CB 4.38Å; Q283-D286 PolarHBondContact N-OD2 3Å; Q283-D286 VanDerWaalsContact O-CB 3.26Å; Q283-D286 WeakPolarHBondContact O-CB 3.41Å; Q283-D286 PolarHBondContact O-N 2.83Å; D286-V319 HydrophobicContact CB-CG1 3.62Å; D286-K321 WeakPolarHBondContact OD1-CD 2.96Å; D286-K321 WeakPolarHBondContact OD1-CE 3.45Å; D286-K321 IonicContact OD1-NZ 3.54Å; D286-K321 PolarHBondContact OD1-NZ 2.78Å; D286-K321 WeakPolarHBondContact OD2-CE 3.28Å; D286-K321 IonicContact OD2-NZ 3.33Å; D286-K321 PolarHBondContact OD2-NZ 3.38Å
287	K	91.9	Very high	89.1	Confident	28 Å²	28	60.2 Å²	60.2	12%	0.122	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	125.9	175.8	172.2	164.3	159.4	174.6	0	110.7	E232 S264 I265 Y266 L289 V319 A320	E232-K287 WeakPolarHBondContact OE1-CD 3.43Å; E232-K287 WeakPolarHBondContact OE1-CE 3.38Å; E232-K287 IonicContact OE1-NZ 2.68Å; E232-K287 PolarHBondContact OE1-NZ 2.85Å; E232-K287 WeakPolarHBondContact OE2-CE 3.24Å; E232-K287 IonicContact OE2-NZ 3.53Å; E232-K287 PolarHBondContact OE2-NZ 2.91Å; S264-K287 WeakPolarHBondContact OG-CE 3.47Å; S264-K287 PolarHBondContact OG-NZ 2.92Å; S264-K287 VanDerWaalsContact OG-NZ 3.13Å; I265-K287 CarbonylContact O-C 3.58Å; I265-K287 WeakPolarHBondContact O-CA 3.36Å; Y266-K287 HydrophobicContact CD1-CB 4.01Å; Y266-K287 HydrophobicContact CE1-CB 3.78Å; Y266-K287 HydrophobicContact CE1-CD 4.06Å; Y266-K287 HydrophobicContact CE1-CG 4.25Å; K287-L289 HydrophobicContact CD-CD2 4.42Å; K287-L289 HydrophobicContact CG-CD2 4.04Å; K287-V319 CarbonylContact O-C 3.37Å; K287-V319 VanDerWaalsContact O-CA 3.28Å; K287-V319 WeakPolarHBondContact O-CA 3.28Å; K287-V319 WeakPolarHBondContact O-CG1 3.43Å; K287-A320 HydrophobicContact CB-CB 3.92Å; K287-A320 HydrophobicContact CD-CB 4.46Å; K287-A320 HydrophobicContact CG-CB 4.21Å; K287-A320 PolarHBondContact N-O 2.88Å; K287-A320 PolarHBondContact O-N 2.82Å
288	L	92.9	Very high	88.8	Confident	2 Å²	2	61.5 Å²	61.5	1%	0.01	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	118.1	178.4	-57.7	-177.2	0	0	0	110.1	F248 I250 I265 V267 L282 L296 L308 V319	F248-L288 HydrophobicContact CE2-CD1 3.88Å; F248-L288 HydrophobicContact CZ-CD1 4.42Å; I250-L288 HydrophobicContact CG2-CD1 3.58Å; I265-L288 HydrophobicContact CB-CB 4.31Å; I265-L288 HydrophobicContact CG2-CB 4.27Å; I265-L288 HydrophobicContact CG2-CD1 4.17Å; I265-L288 PolarHBondContact O-N 2.84Å; V267-L288 HydrophobicContact CG2-CD1 4.24Å; V267-L288 HydrophobicContact CG2-CD2 3.83Å; V267-L288 HydrophobicContact CG2-CG 3.97Å; L282-L288 HydrophobicContact CD1-CD2 4.22Å; L288-L296 HydrophobicContact CB-CD1 3.98Å; L288-L308 HydrophobicContact CD1-CD1 4.5Å; L288-V319 HydrophobicContact CD2-CG1 4.44Å; L288-V319 HydrophobicContact CD2-CG2 3.82Å
289	L	91.4	Very high	88.7	Confident	12 Å²	12	54.8 Å²	54.8	6%	0.063	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	-32.1	179	-57	176.8	0	0	0	112	I234 K287 L296 K318 A320	I234-L289 HydrophobicContact CD1-CD1 3.75Å; I234-L289 HydrophobicContact CG1-CD1 3.81Å; I234-L289 HydrophobicContact CG2-CD1 4.22Å; K287-L289 HydrophobicContact CD-CD2 4.42Å; K287-L289 HydrophobicContact CG-CD2 4.04Å; L289-L296 PolarHBondContact O-N 2.9Å; L289-K318 HydrophobicContact CB-CB 4.44Å; L289-K318 HydrophobicContact CB-CG 4.35Å; L289-K318 PolarHBondContact N-O 3.03Å; L289-A320 HydrophobicContact CD1-CB 3.96Å; L289-A320 HydrophobicContact CD2-CB 4.33Å; L289-A320 HydrophobicContact CG-CB 4.16Å
290	A	92.1	Very high	88.6	Confident	14 Å²	14	54.7 Å²	54.7	12%	0.116	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	156.1	176.6	0	0	0	0	0	113.4	V294 L317 K318	A290-V294 CarbonylContact C-O 3.56Å; A290-V294 WeakPolarHBondContact CA-O 3.19Å; A290-V294 VanDerWaalsContact CB-O 3.3Å; A290-V294 WeakPolarHBondContact CB-O 3.41Å; A290-L317 WeakPolarHBondContact O-CA 3.41Å; A290-K318 HydrophobicContact CB-CB 3.85Å; A290-K318 PolarHBondContact N-O 2.88Å; A290-K318 PolarHBondContact O-N 3.41Å
291	V	93.6	Very high	88.7	Confident	2 Å²	2	53.9 Å²	53.9	1%	0.012	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	115	171.8	177.7	0	0	0	0	108.6	N293 V294 L296 A307 L308 T311 V315 L317	V291-N293 PolarHBondContact O-N 2.92Å; V291-N293 VanDerWaalsContact O-N 3.09Å; V291-V294 PolarHBondContact N-O 2.89Å; V291-V294 WeakPolarHBondContact O-CB 3.22Å; V291-V294 PolarHBondContact O-N 3.37Å; V291-L296 HydrophobicContact CG2-CD1 3.65Å; V291-L296 HydrophobicContact CG2-CG 4.33Å; V291-A307 HydrophobicContact CB-CB 4.46Å; V291-L308 HydrophobicContact CG1-CD2 4.12Å; V291-L308 HydrophobicContact CG2-CD2 3.52Å; V291-L308 HydrophobicContact CG2-CG 3.99Å; V291-T311 HydrophobicContact CG1-CG2 3.82Å; V291-V315 HydrophobicContact CG1-CG1 3.94Å; V291-L317 HydrophobicContact CB-CD2 4.46Å; V291-L317 HydrophobicContact CG1-CD2 4.35Å; V291-L317 HydrophobicContact CG2-CD2 3.84Å
292	N	90.6	Very high	88.7	Confident	56 Å²	56	54.8 Å²	54.8	30%	0.299	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.7	-112.3	-164.6	-64.6	-30.1	0	0	0	110.2	Y316	N292-Y316 PolarHBondContact N-O 2.85Å; N292-Y316 PolarHBondContact OD1-N 2.82Å
293	N	85.3	Confident	88.6	Confident	166 Å²	166	59.7 Å²	59.7	89%	0.888	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.1	6.8	179.6	-61.2	3.9	0	0	0	113	V291	V291-N293 PolarHBondContact O-N 2.92Å; V291-N293 VanDerWaalsContact O-N 3.09Å
294	V	88.9	Confident	88.7	Confident	78 Å²	78	54.4 Å²	54.4	47%	0.473	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	119.1	-178.8	-175.4	0	0	0	0	109.3	A290 V291 A307	A290-V294 CarbonylContact C-O 3.56Å; A290-V294 WeakPolarHBondContact CA-O 3.19Å; A290-V294 VanDerWaalsContact CB-O 3.3Å; A290-V294 WeakPolarHBondContact CB-O 3.41Å; V291-V294 PolarHBondContact N-O 2.89Å; V291-V294 WeakPolarHBondContact O-CB 3.22Å; V291-V294 PolarHBondContact O-N 3.37Å; V294-A307 HydrophobicContact CB-CB 4.37Å; V294-A307 HydrophobicContact CG1-CB 3.98Å
295	C	89.1	Confident	88.9	Confident	67 Å²	67	50.7 Å²	50.7	45%	0.453	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	147.3	173.7	-162.2	0	0	0	0	111
296	L	90.5	Very high	89.4	Confident	2 Å²	2	52.3 Å²	52.3	1%	0.01	28%	0.277	C	S	.	.			trans	-119.8	17.6	177.4	-62.4	-172.4	0	0	0	113.2	I265 L288 L289 V291 V299 A304 A307	I265-L296 HydrophobicContact CB-CD1 4.49Å; I265-L296 HydrophobicContact CG1-CB 4.06Å; I265-L296 HydrophobicContact CG1-CD1 4.34Å; L288-L296 HydrophobicContact CB-CD1 3.98Å; L289-L296 PolarHBondContact O-N 2.9Å; V291-L296 HydrophobicContact CG2-CD1 3.65Å; V291-L296 HydrophobicContact CG2-CG 4.33Å; L296-V299 HydrophobicContact CB-CG2 4.2Å; L296-V299 HydrophobicContact CD2-CG2 4.06Å; L296-A304 HydrophobicContact CD1-CB 4.38Å; L296-A304 HydrophobicContact CD2-CB 3.98Å; L296-A307 HydrophobicContact CD2-CB 4.07Å
297	E	85.2	Confident	89.6	Confident	121 Å²	121	53 Å²	53	57%	0.565	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	130.9	170.5	-66.2	170.3	-174.9	0	0	109.7	V299	E297-V299 PolarHBondContact O-N 2.95Å; E297-V299 VanDerWaalsContact O-N 3.17Å
298	E	84	Confident	89.6	Confident	121 Å²	121	52.6 Å²	52.6	57%	0.565	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	30.1	179.5	-57.3	-59	120.5	0	0	115.9	V254 N263	V254-E298 VanDerWaalsContact CG2-C 3.47Å; V254-E298 HydrophobicContact CG2-CB 4.41Å; V254-E298 VanDerWaalsContact CG2-O 3.24Å; V254-E298 WeakPolarHBondContact CG2-O 3.43Å; N263-E298 PolarHBondContact ND2-OE2 3.03Å
299	V	85.6	Confident	89.4	Confident	23 Å²	23	59.4 Å²	59.4	14%	0.139	31%	0.312	C	S	.	.			trans	-92.6	158.4	174.5	-57.9	0	0	0	0	112.4	G253 V254 I265 L296 E297 E303 A304	G253-V299 CarbonylContact C-O 3.58Å; G253-V299 WeakPolarHBondContact CA-O 3.16Å; V254-V299 PolarHBondContact N-O 2.91Å; I265-V299 HydrophobicContact CD1-CG2 4.14Å; I265-V299 HydrophobicContact CG1-CG2 4.11Å; L296-V299 HydrophobicContact CB-CG2 4.2Å; L296-V299 HydrophobicContact CD2-CG2 4.06Å; E297-V299 PolarHBondContact O-N 2.95Å; E297-V299 VanDerWaalsContact O-N 3.17Å; V299-E303 HydrophobicContact CB-CB 4.15Å; V299-A304 HydrophobicContact CG2-CB 4.08Å
300	T	88.3	Confident	89.2	Confident	46 Å²	46	65.2 Å²	65.2	28%	0.282	34%	0.343	S	S	.	.	B	Isolated β-bridge	trans	-69.5	161.6	167.7	61.4	0	0	0	0	112	E302 E303 A304	T300-E302 VanDerWaalsContact C-N 3.25Å; T300-E302 PolarHBondContact O-N 3.47Å; T300-E303 WeakPolarHBondContact CB-OE2 3.42Å; T300-E303 WeakPolarHBondContact CG2-OE2 3.42Å; T300-E303 PolarHBondContact N-OE2 2.83Å; T300-E303 PolarHBondContact O-N 2.82Å; T300-E303 WeakPolarHBondContact OG1-CB 3.39Å; T300-E303 VanDerWaalsContact OG1-CD 3.23Å; T300-E303 VanDerWaalsContact OG1-CG 3.22Å; T300-E303 WeakPolarHBondContact OG1-CG 3.4Å; T300-E303 PolarHBondContact OG1-N 2.86Å; T300-E303 PolarHBondContact OG1-OE2 3.32Å; T300-A304 PolarHBondContact O-N 2.87Å; T300-A304 VanDerWaalsContact O-N 3.15Å
301	H	88.6	Confident	89	Confident	35 Å²	35	65.3 Å²	65.3	16%	0.162	34%	0.342	C	S	.	.	H	α-helix	trans	-59.9	-40.1	176.3	-172.9	73.8	0	0	0	111.5	G252 N256 A304 V305	G252-H301 WeakPolarHBondContact O-CB 3.41Å; G252-H301 PolarHBondContact O-ND1 2.93Å; N256-H301 HydrophobicContact CB-CB 4.19Å; H301-A304 PolarHBondContact O-N 2.86Å; H301-V305 WeakPolarHBondContact O-CB 3.3Å; H301-V305 WeakPolarHBondContact O-CG2 3.3Å; H301-V305 PolarHBondContact O-N 2.84Å
302	E	90.2	Very high	88.5	Confident	116 Å²	116	69 Å²	69	54%	0.542	37%	0.368	S	S	.	.	H	α-helix	trans	-64.5	-39.5	-179.6	-68.7	61.4	-138.1	0	0	111.6	T300 T306	T300-E302 VanDerWaalsContact C-N 3.25Å; T300-E302 PolarHBondContact O-N 3.47Å; E302-T306 VanDerWaalsContact O-CB 3.23Å; E302-T306 WeakPolarHBondContact O-CB 3.2Å; E302-T306 PolarHBondContact O-N 2.65Å; E302-T306 PolarHBondContact O-OG1 2.79Å
303	E	90.1	Very high	88.2	Confident	107 Å²	107	71.8 Å²	71.8	50%	0.5	38%	0.383	S	S	.	.	H	α-helix	trans	-66.4	-43.7	174.5	-75.3	164.3	134.7	0	0	111.5	V299 T300 T306 A307	V299-E303 HydrophobicContact CB-CB 4.15Å; T300-E303 WeakPolarHBondContact CB-OE2 3.42Å; T300-E303 WeakPolarHBondContact CG2-OE2 3.42Å; T300-E303 PolarHBondContact N-OE2 2.83Å; T300-E303 PolarHBondContact O-N 2.82Å; T300-E303 WeakPolarHBondContact OG1-CB 3.39Å; T300-E303 VanDerWaalsContact OG1-CD 3.23Å; T300-E303 VanDerWaalsContact OG1-CG 3.22Å; T300-E303 WeakPolarHBondContact OG1-CG 3.4Å; T300-E303 PolarHBondContact OG1-N 2.86Å; T300-E303 PolarHBondContact OG1-OE2 3.32Å; E303-T306 WeakPolarHBondContact O-CB 2.98Å; E303-T306 PolarHBondContact O-N 2.64Å; E303-A307 WeakPolarHBondContact O-CB 3.37Å; E303-A307 PolarHBondContact O-N 3.42Å
304	A	89.9	Confident	88.4	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-63.5	-43.1	176	0	0	0	0	0	112.7	I250 I265 L296 V299 T300 H301 T306 A307 L308	I250-A304 HydrophobicContact CD1-CB 3.85Å; I265-A304 HydrophobicContact CD1-CB 3.57Å; I265-A304 HydrophobicContact CG1-CB 3.69Å; I265-A304 HydrophobicContact CG2-CB 4.29Å; L296-A304 HydrophobicContact CD1-CB 4.38Å; L296-A304 HydrophobicContact CD2-CB 3.98Å; V299-A304 HydrophobicContact CG2-CB 4.08Å; T300-A304 PolarHBondContact O-N 2.87Å; T300-A304 VanDerWaalsContact O-N 3.15Å; H301-A304 PolarHBondContact O-N 2.86Å; A304-T306 VanDerWaalsContact C-N 3.3Å; A304-T306 PolarHBondContact O-N 2.93Å; A304-A307 PolarHBondContact O-N 2.85Å; A304-L308 WeakPolarHBondContact O-CG 3.4Å; A304-L308 PolarHBondContact O-N 2.94Å
305	V	89.6	Confident	88.6	Confident	32 Å²	32	65 Å²	65	19%	0.194	34%	0.34	C	S	.	.	H	α-helix	trans	-63.2	-37.4	173.2	168.4	0	0	0	0	111.3	I250 H301 K309	I250-V305 HydrophobicContact CD1-CG2 3.95Å; I250-V305 HydrophobicContact CG1-CG2 4.34Å; H301-V305 WeakPolarHBondContact O-CB 3.3Å; H301-V305 WeakPolarHBondContact O-CG2 3.3Å; H301-V305 PolarHBondContact O-N 2.84Å; V305-K309 HydrophobicContact CG1-CD 3.83Å; V305-K309 VanDerWaalsContact CG1-CE 3.45Å; V305-K309 HydrophobicContact CG1-CG 4.49Å; V305-K309 VanDerWaalsContact CG1-NZ 3.32Å; V305-K309 WeakPolarHBondContact O-CB 3.38Å; V305-K309 VanDerWaalsContact O-CG 3.27Å; V305-K309 WeakPolarHBondContact O-CG 3.49Å; V305-K309 PolarHBondContact O-N 3.24Å
306	T	91.6	Very high	88.7	Confident	68 Å²	68	67.2 Å²	67.2	42%	0.417	34%	0.339	S	S	.	.	H	α-helix	trans	-68.5	-44.2	177.1	-62.4	0	0	0	0	111.5	E302 E303 A304 L308 K309 N310	E302-T306 VanDerWaalsContact O-CB 3.23Å; E302-T306 WeakPolarHBondContact O-CB 3.2Å; E302-T306 PolarHBondContact O-N 2.65Å; E302-T306 PolarHBondContact O-OG1 2.79Å; E303-T306 WeakPolarHBondContact O-CB 2.98Å; E303-T306 PolarHBondContact O-N 2.64Å; A304-T306 VanDerWaalsContact C-N 3.3Å; A304-T306 PolarHBondContact O-N 2.93Å; T306-L308 VanDerWaalsContact C-N 3.34Å; T306-L308 PolarHBondContact O-N 3.41Å; T306-K309 PolarHBondContact O-N 2.66Å; T306-N310 WeakPolarHBondContact CG2-ND2 3.13Å; T306-N310 WeakPolarHBondContact O-CB 3.42Å; T306-N310 PolarHBondContact O-N 2.84Å
307	A	92.7	Very high	88.9	Confident	16 Å²	16	67.1 Å²	67.1	13%	0.132	34%	0.339	C	S	.	.	H	α-helix	trans	-59.9	-41.9	175.1	0	0	0	0	0	111.9	V291 V294 L296 E303 A304 T311	V291-A307 HydrophobicContact CB-CB 4.46Å; V294-A307 HydrophobicContact CB-CB 4.37Å; V294-A307 HydrophobicContact CG1-CB 3.98Å; L296-A307 HydrophobicContact CD2-CB 4.07Å; E303-A307 WeakPolarHBondContact O-CB 3.37Å; E303-A307 PolarHBondContact O-N 3.42Å; A304-A307 PolarHBondContact O-N 2.85Å; A307-T311 WeakPolarHBondContact O-CG2 3.29Å
308	L	91.9	Very high	89.3	Confident	21 Å²	21	65.4 Å²	65.4	11%	0.11	33%	0.329	C	S	.	.	H	α-helix	trans	-68.6	-37.3	175.3	-74.3	169.8	0	0	0	113.2	L246 F248 I250 L288 V291 A304 T306 T311 L317	L246-L308 HydrophobicContact CD1-CD2 4.03Å; F248-L308 HydrophobicContact CE2-CD1 4.15Å; F248-L308 HydrophobicContact CE2-CD2 4.26Å; F248-L308 HydrophobicContact CZ-CD1 4.44Å; F248-L308 HydrophobicContact CZ-CD2 3.75Å; I250-L308 HydrophobicContact CD1-CD1 3.69Å; I250-L308 HydrophobicContact CG1-CD1 4.09Å; I250-L308 HydrophobicContact CG2-CD1 3.93Å; L288-L308 HydrophobicContact CD1-CD1 4.5Å; V291-L308 HydrophobicContact CG1-CD2 4.12Å; V291-L308 HydrophobicContact CG2-CD2 3.52Å; V291-L308 HydrophobicContact CG2-CG 3.99Å; A304-L308 WeakPolarHBondContact O-CG 3.4Å; A304-L308 PolarHBondContact O-N 2.94Å; T306-L308 VanDerWaalsContact C-N 3.34Å; T306-L308 PolarHBondContact O-N 3.41Å; L308-T311 WeakPolarHBondContact O-CG2 3.29Å; L308-T311 PolarHBondContact O-OG1 3Å; L308-L317 HydrophobicContact CD2-CD2 4.02Å
309	K	87.6	Confident	89.7	Confident	145 Å²	145	59.7 Å²	59.7	63%	0.63	30%	0.302	S	S	*	.	H	α-helix	trans	-71.5	-45.2	179	-77.8	171.6	-179.8	169.6	0	112.3	K241 V305 T306 T311	K241-K309 PolarHBondContact NZ-O 3.47Å; V305-K309 HydrophobicContact CG1-CD 3.83Å; V305-K309 VanDerWaalsContact CG1-CE 3.45Å; V305-K309 HydrophobicContact CG1-CG 4.49Å; V305-K309 VanDerWaalsContact CG1-NZ 3.32Å; V305-K309 WeakPolarHBondContact O-CB 3.38Å; V305-K309 VanDerWaalsContact O-CG 3.27Å; V305-K309 WeakPolarHBondContact O-CG 3.49Å; V305-K309 PolarHBondContact O-N 3.24Å; T306-K309 PolarHBondContact O-N 2.66Å; K309-T311 PolarHBondContact O-N 2.75Å
310	N	87.1	Confident	89.8	Confident	134 Å²	134	58.6 Å²	58.6	72%	0.717	30%	0.296	S	S	*	.	S	Bend	trans	-77.7	46	-177.6	-68.3	-11.2	0	0	0	112.9	T306	T306-N310 WeakPolarHBondContact CG2-ND2 3.13Å; T306-N310 WeakPolarHBondContact O-CB 3.42Å; T306-N310 PolarHBondContact O-N 2.84Å
311	T	88.3	Confident	89.5	Confident	16 Å²	16	57.9 Å²	57.9	10%	0.098	29%	0.289	C	S	.	.			trans	-111.7	145.4	178.4	46.7	0	0	0	0	111.3	K241 V291 A307 L308 K309 V315	K241-T311 PolarHBondContact NZ-O 3.37Å; K241-T311 PolarHBondContact NZ-OG1 3.29Å; V291-T311 HydrophobicContact CG1-CG2 3.82Å; A307-T311 WeakPolarHBondContact O-CG2 3.29Å; L308-T311 WeakPolarHBondContact O-CG2 3.29Å; L308-T311 PolarHBondContact O-OG1 3Å; K309-T311 PolarHBondContact O-N 2.75Å; T311-V315 VanDerWaalsContact CB-CG2 3.48Å; T311-V315 HydrophobicContact CG2-CB 4.42Å; T311-V315 HydrophobicContact CG2-CG1 3.85Å; T311-V315 HydrophobicContact CG2-CG2 3.7Å
312	S	84.2	Confident	88.3	Confident	79 Å²	79	60 Å²	60	55%	0.552	31%	0.306	S	S	*	.			trans	-75.4	-173.7	165.8	56.9	0	0	0	0	111.2	F314	S312-F314 PolarHBondContact O-N 3.33Å; S312-F314 VanDerWaalsContact O-N 3.13Å
313	D	83.2	Confident	86.2	Confident	114 Å²	114	59.3 Å²	59.3	61%	0.61	31%	0.31	S	S	*	.	S	Bend	trans	-64.5	-16.4	-176.3	-54.6	-39.3	0	0	0	114	I240 K241	I240-D313 CarbonylContact C-O 3.57Å; I240-D313 VanDerWaalsContact CA-O 3.29Å; I240-D313 WeakPolarHBondContact CA-O 3.18Å; K241-D313 PolarHBondContact N-O 3.19Å
314	F	89.6	Confident	83.7	Confident	103 Å²	103	58.4 Å²	58.4	45%	0.452	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	129.9	173.4	-65.3	-75.8	0	0	0	110.5	I240 S312	I240-F314 HydrophobicContact CD1-CD1 4.42Å; I240-F314 HydrophobicContact CD1-CE1 3.82Å; I240-F314 HydrophobicContact CG1-CD1 3.9Å; I240-F314 HydrophobicContact CG1-CE1 3.8Å; S312-F314 PolarHBondContact O-N 3.33Å; S312-F314 VanDerWaalsContact O-N 3.13Å
315	V	92.6	Very high	81	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	124.7	-178.9	-171.9	0	0	0	0	110.1	K238 L239 L246 V291 T311 L317	K238-V315 CarbonylContact C-O 3.47Å; K238-V315 WeakPolarHBondContact CA-O 3.39Å; L239-V315 PolarHBondContact N-O 2.96Å; L239-V315 PolarHBondContact O-N 2.81Å; L246-V315 HydrophobicContact CD1-CB 4.41Å; L246-V315 HydrophobicContact CD1-CG1 4.18Å; L246-V315 HydrophobicContact CD1-CG2 4.21Å; L246-V315 HydrophobicContact CD2-CB 3.98Å; L246-V315 HydrophobicContact CD2-CG2 3.66Å; L246-V315 HydrophobicContact CG-CG2 4.5Å; V291-V315 HydrophobicContact CG1-CG1 3.94Å; T311-V315 VanDerWaalsContact CB-CG2 3.48Å; T311-V315 HydrophobicContact CG2-CB 4.42Å; T311-V315 HydrophobicContact CG2-CG1 3.85Å; T311-V315 HydrophobicContact CG2-CG2 3.7Å; V315-L317 HydrophobicContact CG1-CD2 3.83Å; V315-L317 HydrophobicContact CG1-CG 4.37Å
316	Y	92.1	Very high	78.2	Confident	112 Å²	112	73.4 Å²	73.4	44%	0.439	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	129.5	170.4	-65.8	-103.8	0	0	0	108	I237 K238 N292	I237-Y316 CarbonylContact O-C 3.53Å; I237-Y316 WeakPolarHBondContact O-CA 3.23Å; K238-Y316 HydrophobicContact CB-CD1 4.24Å; K238-Y316 HydrophobicContact CB-CE1 4.19Å; K238-Y316 HydrophobicContact CD-CE1 3.85Å; K238-Y316 HydrophobicContact CD-CE2 4.14Å; K238-Y316 WeakPolarHBondContact CE-OH 3.15Å; K238-Y316 HydrophobicContact CG-CD1 4.37Å; K238-Y316 HydrophobicContact CG-CE1 4.1Å; K238-Y316 HydrophobicContact CG-CE2 4.3Å; K238-Y316 PolarHBondContact NZ-OH 3.33Å; N292-Y316 PolarHBondContact N-O 2.85Å; N292-Y316 PolarHBondContact OD1-N 2.82Å
317	L	95.2	Very high	75.1	Confident	1 Å²	1	78.5 Å²	78.5	1%	0.005	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	128	175.3	-57.4	176.8	0	0	0	108.1	E236 I237 L239 F248 L282 A290 V291 L308 V315 V319	E236-L317 CarbonylContact C-O 3.49Å; E236-L317 WeakPolarHBondContact CA-O 2.89Å; I237-L317 HydrophobicContact CB-CB 4.46Å; I237-L317 PolarHBondContact N-O 2.98Å; I237-L317 PolarHBondContact O-N 3.35Å; L239-L317 HydrophobicContact CD1-CD1 3.74Å; L239-L317 HydrophobicContact CG-CD1 4.36Å; F248-L317 HydrophobicContact CE1-CD1 3.74Å; F248-L317 HydrophobicContact CZ-CD1 3.7Å; F248-L317 HydrophobicContact CZ-CD2 4.36Å; L282-L317 HydrophobicContact CD1-CD1 4.32Å; L282-L317 HydrophobicContact CD2-CD1 4.48Å; A290-L317 WeakPolarHBondContact O-CA 3.41Å; V291-L317 HydrophobicContact CB-CD2 4.46Å; V291-L317 HydrophobicContact CG1-CD2 4.35Å; V291-L317 HydrophobicContact CG2-CD2 3.84Å; L308-L317 HydrophobicContact CD2-CD2 4.02Å; V315-L317 HydrophobicContact CG1-CD2 3.83Å; V315-L317 HydrophobicContact CG1-CG 4.37Å; L317-V319 HydrophobicContact CB-CG2 3.79Å
318	K	93.2	Very high	72.1	Confident	85 Å²	85	84.6 Å²	84.6	37%	0.37	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	122.5	168.5	-168.1	176.8	-179.6	-178.2	0	107.9	I234 E236 L289 A290	I234-K318 HydrophobicContact CG2-CD 4.44Å; I234-K318 HydrophobicContact CG2-CG 3.84Å; E236-K318 HydrophobicContact CG-CB 4.45Å; E236-K318 HydrophobicContact CG-CG 4.23Å; L289-K318 HydrophobicContact CB-CB 4.44Å; L289-K318 HydrophobicContact CB-CG 4.35Å; L289-K318 PolarHBondContact N-O 3.03Å; A290-K318 HydrophobicContact CB-CB 3.85Å; A290-K318 PolarHBondContact N-O 2.88Å; A290-K318 PolarHBondContact O-N 3.41Å
319	V	92.4	Very high	68.9	Low	0 Å²	0	91.4 Å²	91.4	0%	0	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	127.2	-162.4	-173.6	0	0	0	0	110.4	I234 M235 I237 L282 D286 K287 L288 L317	I234-V319 CarbonylContact C-O 3.59Å; I234-V319 WeakPolarHBondContact CA-O 3.31Å; M235-V319 PolarHBondContact N-O 3.41Å; M235-V319 PolarHBondContact O-N 3.48Å; I237-V319 HydrophobicContact CD1-CB 4.42Å; I237-V319 HydrophobicContact CD1-CG2 3.92Å; I237-V319 HydrophobicContact CG1-CG2 4.34Å; L282-V319 HydrophobicContact CD1-CG1 4.24Å; L282-V319 HydrophobicContact CD1-CG2 4Å; D286-V319 HydrophobicContact CB-CG1 3.62Å; K287-V319 CarbonylContact O-C 3.37Å; K287-V319 VanDerWaalsContact O-CA 3.28Å; K287-V319 WeakPolarHBondContact O-CA 3.28Å; K287-V319 WeakPolarHBondContact O-CG1 3.43Å; L288-V319 HydrophobicContact CD2-CG1 4.44Å; L288-V319 HydrophobicContact CD2-CG2 3.82Å; L317-V319 HydrophobicContact CB-CG2 3.79Å
320	A	86.9	Confident	66.1	Low	1 Å²	1	86.6 Å²	86.6	1%	0.008	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	123.5	167.5	0	0	0	0	0	109.8	E232 K287 L289	E232-A320 HydrophobicContact CB-CB 3.82Å; E232-A320 HydrophobicContact CG-CB 4.3Å; E232-A320 WeakPolarHBondContact OE2-CB 3.27Å; K287-A320 HydrophobicContact CB-CB 3.92Å; K287-A320 HydrophobicContact CD-CB 4.46Å; K287-A320 HydrophobicContact CG-CB 4.21Å; K287-A320 PolarHBondContact N-O 2.88Å; K287-A320 PolarHBondContact O-N 2.82Å; L289-A320 HydrophobicContact CD1-CB 3.96Å; L289-A320 HydrophobicContact CD2-CB 4.33Å; L289-A320 HydrophobicContact CG-CB 4.16Å
321	K	83	Confident	63.1	Low	30 Å²	30	91.9 Å²	91.9	13%	0.13	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	127.6	170.5	-70.8	-60.9	-168.7	173.2	0	109.9	K233 M235 K281 D286 T323	K233-K321 PolarHBondContact N-O 3.33Å; K233-K321 PolarHBondContact O-N 2.88Å; M235-K321 VanDerWaalsContact CE-CE 3.44Å; M235-K321 HydrophobicContact CE-CG 4.49Å; K281-K321 WeakPolarHBondContact O-CE 3.39Å; K281-K321 PolarHBondContact O-NZ 3.45Å; D286-K321 WeakPolarHBondContact OD1-CD 2.96Å; D286-K321 WeakPolarHBondContact OD1-CE 3.45Å; D286-K321 IonicContact OD1-NZ 3.54Å; D286-K321 PolarHBondContact OD1-NZ 2.78Å; D286-K321 WeakPolarHBondContact OD2-CE 3.28Å; D286-K321 IonicContact OD2-NZ 3.33Å; D286-K321 PolarHBondContact OD2-NZ 3.38Å; K321-T323 PolarHBondContact O-N 3.38Å
322	P	63.7	Low	60.4	Low	80 Å²	80	95.3 Å²	95.3	52%	0.519	50%	0.499	S	S	.	.	P	Polyproline II helix	trans	-64.7	133.3	166.7	27.7	-32.9	0	0	0	109.5	S324	P322-S324 PolarHBondContact O-N 2.91Å
323	T	45.8	Very low	57.8	Low	101 Å²	101	96.7 Å²	96.7	62%	0.62	51%	0.506	S	S	*	.			trans	-73.1	99.3	178.8	-60.6	0	0	0	0	109.3	K321 M325	K321-T323 PolarHBondContact O-N 3.38Å; T323-M325 PolarHBondContact O-N 3.15Å
324	S	38	Very low	55.3	Low	89 Å²	89	97.1 Å²	97.1	62%	0.622	52%	0.515	S	S	*	.			trans	-60.2	122.1	-176.8	-179	0	0	0	0	112.5	P322	P322-S324 PolarHBondContact O-N 2.91Å
325	M	32.3	Very low	52.3	Low	141 Å²	141	99.5 Å²	99.5	70%	0.695	53%	0.533	S	S	*	.	S	Bend	trans	-121.5	123.9	142.6	-65.9	-144	74.1	0	0	108.1	T323	T323-M325 PolarHBondContact O-N 3.15Å
326	Y	30.6	Very low	49.2	Very low	206 Å²	206	107.5 Å²	107.5	81%	0.808	57%	0.574	S	S	*	*	S	Bend	trans	70.2	65.7	175.4	-49.4	-67.5	0	0	0	117.3
327	M	27.5	Very low	46.1	Very low	175 Å²	175	107.6 Å²	107.6	86%	0.862	59%	0.586	S	S	*	*			trans	-118.8	140.1	137.6	-84.6	-169.7	169.7	0	0	111.2
328	N	28.1	Very low	42.7	Very low	144 Å²	144	114.5 Å²	114.5	77%	0.77	62%	0.623	S	S	*	*			trans	82	109.2	157.2	-161.2	82.5	0	0	0	120.8
329	D	25.8	Very low	39.5	Very low	163 Å²	163	115.4 Å²	115.4	87%	0.872	64%	0.64	S	S	*	*				-148.3	148.3	126.5	-122.9	-6.8	0	0	0	107.3
330	G	27.5	Very low	36.2	Very low	45 Å²	45	120.9 Å²	120.9	46%	0.464	68%	0.679	S	S	.	*			cis	162.1	67.1	-1.6	0	0	0	0	0	113.6
331	Y	25.7	Very low	33.4	Very low	244 Å²	244	126.9 Å²	126.9	96%	0.957	72%	0.72	S	S	*	*			trans	-138.4	118.1	169.4	-96.3	-83.2	0	0	0	111.9
332	A	30.2	Very low	30.8	Very low	88 Å²	88	134.5 Å²	134.5	73%	0.727	76%	0.756	S	S	*	*			trans	-108	150.6	172.5	0	0	0	0	0	110.4
333	P	30.3	Very low	29.9	Very low	108 Å²	108	135.5 Å²	135.5	70%	0.701	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-76.6	159.4	174.5	33.7	-35.7	0	0	0	111.8
334	P	31.1	Very low	29.1	Very low	123 Å²	123	137.5 Å²	137.5	80%	0.799	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-80.1	126.4	168.2	31.8	-31.8	0	0	0	111.3
335	D	26.6	Very low	28.5	Very low	154 Å²	154	139.5 Å²	139.5	82%	0.824	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-70.8	147.6	174.5	-83.9	-47.8	0	0	0	113.3
336	I	26.6	Very low	28.2	Very low	167 Å²	167	140.7 Å²	140.7	86%	0.856	79%	0.788	S	S	*	*			trans	-104.3	133.9	171	-62	173.4	0	0	0	108.6
337	T	27.8	Very low	28.2	Very low	115 Å²	115	138.5 Å²	138.5	71%	0.706	78%	0.784	S	S	*	*			trans	-132.2	145.8	176.2	58.6	0	0	0	0	113.7
338	N	24.6	Very low	28.1	Very low	145 Å²	145	136.6 Å²	136.6	78%	0.775	78%	0.783	S	S	*	*			trans	62.7	89.2	161.2	-67	-29	0	0	0	121
339	S	25.4	Very low	27.8	Very low	104 Å²	104	134.8 Å²	134.8	73%	0.727	78%	0.781	S	S	*	*				54	132.1	103.8	-54.7	0	0	0	0	123
340	S	23.7	Very low	29.1	Very low	116 Å²	116	132.5 Å²	132.5	81%	0.811	78%	0.775	S	S	*	*			trans	85.5	109.7	141.8	72.4	0	0	0	0	121.8
341	S	27.7	Very low	29	Very low	126 Å²	126	135.4 Å²	135.4	88%	0.881	79%	0.788	S	S	*	*				-177	174.8	122.4	34.9	0	0	0	0	110.3
342	Q	27.2	Very low	28.9	Very low	190 Å²	190	128.2 Å²	128.2	89%	0.888	77%	0.774	S	S	*	*			trans	-125.1	178.1	-167	-112.3	-135.2	-9	0	0	113.3
343	P	46.3	Very low	28.7	Very low	101 Å²	101	133.3 Å²	133.3	66%	0.656	78%	0.78	S	S	*	*			trans	-98.6	176.5	-139.5	40.3	-41.3	0	0	0	116.4
344	V	27.3	Very low	28.7	Very low	144 Å²	144	136 Å²	136	87%	0.873	79%	0.787	S	S	*	*			trans	-139.9	147.1	157.7	-75.4	0	0	0	0	111.4
345	D	25.5	Very low	28.4	Very low	130 Å²	130	133.4 Å²	133.4	70%	0.695	78%	0.784	S	S	*	*			trans	-72.3	160.1	178.8	-77.6	-75.1	0	0	0	114.9
346	N	26.5	Very low	28.4	Very low	167 Å²	167	135.5 Å²	135.5	89%	0.893	79%	0.788	S	S	*	*				-161.7	136.5	116	-106.4	-50.8	0	0	0	113.8
347	H	30.7	Very low	28.6	Very low	159 Å²	159	133.7 Å²	133.7	74%	0.736	79%	0.785	S	S	*	*			trans	-91.2	165.6	170.5	-85.3	-100	0	0	0	111.5
348	V	26.3	Very low	28.8	Very low	136 Å²	136	133.9 Å²	133.9	82%	0.824	79%	0.789	S	S	*	*				154.9	150.9	126.7	162.7	0	0	0	0	111.2
349	S	21.5	Very low	28.8	Very low	105 Å²	105	131.8 Å²	131.8	73%	0.734	79%	0.791	S	S	*	*			trans	-131.3	-159.7	-179.8	-50.8	0	0	0	0	109.8
350	P	52	Low	28.9	Very low	115 Å²	115	132.2 Å²	132.2	75%	0.747	79%	0.794	S	S	*	*				-115.8	-173.6	-77.5	37.7	-23.6	0	0	0	112.3
351	S	25.4	Very low	29.4	Very low	106 Å²	106	133.3 Å²	133.3	74%	0.741	80%	0.799	S	S	*	*			trans	156.5	129.4	133.2	-71.4	0	0	0	0	117.6
352	S	25	Very low	29.3	Very low	94 Å²	94	131.6 Å²	131.6	66%	0.657	79%	0.792	S	S	*	*			trans	50.4	129.1	132.4	-48.7	0	0	0	0	124.6
353	F	26.2	Very low	29.3	Very low	194 Å²	194	133.3 Å²	133.3	85%	0.851	79%	0.791	S	S	*	*				174.7	175.9	100.9	-99.2	-71.7	0	0	0	115.5
354	L	28.7	Very low	28.5	Very low	164 Å²	164	138.4 Å²	138.4	86%	0.859	80%	0.798	S	S	*	*			trans	-74.4	169.2	-174.7	-80.9	63	0	0	0	114.1
355	G	24.9	Very low	28.6	Very low	70 Å²	70	136.5 Å²	136.5	72%	0.722	79%	0.791	S	S	*	*			cis	157.8	-179.3	-4.2	0	0	0	0	0	114.3
356	Q	27.8	Very low	29	Very low	197 Å²	197	136.7 Å²	136.7	92%	0.921	80%	0.799	S	S	*	*			trans	91.8	165.8	170.4	-55.7	-163.5	15.2	0	0	121.2
357	T	29.5	Very low	29.1	Very low	129 Å²	129	135 Å²	135	79%	0.791	79%	0.794	S	S	*	*			trans	-111.1	178.5	-154.3	44.1	0	0	0	0	112.6
358	P	33.6	Very low	29	Very low	120 Å²	120	132.8 Å²	132.8	78%	0.779	80%	0.797	S	S	*	*			cis	-156.9	-168.7	34.8	46.5	-23.2	0	0	0	121
359	A	24.5	Very low	29.3	Very low	101 Å²	101	135.2 Å²	135.2	84%	0.835	80%	0.797	S	S	*	*			trans	94.7	142.2	152.7	0	0	0	0	0	120.8
360	S	26.1	Very low	29.7	Very low	113 Å²	113	134.8 Å²	134.8	79%	0.79	80%	0.799	S	S	*	*			trans	-111.2	169.1	-175.4	-35.3	0	0	0	0	112.3
361	P	34	Very low	28.9	Very low	138 Å²	138	135.1 Å²	135.1	90%	0.896	80%	0.799	S	S	*	*				-135.6	-173.8	101	36.3	-23.7	0	0	0	113.7
362	A	25.7	Very low	29.4	Very low	90 Å²	90	137.5 Å²	137.5	74%	0.744	80%	0.803	S	S	*	*			trans	-145.8	-173.7	-157	0	0	0	0	0	115.7
363	R	27.9	Very low	30	Very low	227 Å²	227	137 Å²	137	86%	0.857	81%	0.812	S	S	*	*			trans	84.5	146.1	-177.5	-47.9	176.8	-164.4	178.9	5.2	113.3
364	Y	29.3	Very low	30.3	Very low	208 Å²	208	134.4 Å²	134.4	82%	0.816	81%	0.807	S	S	*	*			cis	-133.9	145.6	13.6	-122.3	-82.2	0	0	0	111.8
365	S	28.8	Very low	30.7	Very low	103 Å²	103	134.1 Å²	134.1	72%	0.72	81%	0.807	S	S	*	*			trans	-151.5	145.1	164.9	-63.3	0	0	0	0	109.8
366	P	34.7	Very low	31.7	Very low	135 Å²	135	138.6 Å²	138.6	88%	0.877	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-70.9	144.7	-179.1	-17.8	32.5	0	0	0	112.9
367	V	27.4	Very low	32.8	Very low	130 Å²	130	133.8 Å²	133.8	79%	0.788	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-85.2	116.8	-179.3	174.6	0	0	0	0	110.8
368	S	29.1	Very low	34.1	Very low	113 Å²	113	131.6 Å²	131.6	79%	0.79	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-73.3	125.9	151.6	45.6	0	0	0	0	108.5	A370	S368-A370 PolarHBondContact O-N 2.9Å
369	K	32.5	Very low	35.8	Very low	187 Å²	187	132.9 Å²	132.9	81%	0.813	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-70.2	121	177.5	-79	-175.8	175.9	179.9	0	109.8
370	A	31.4	Very low	38.5	Very low	96 Å²	96	134.6 Å²	134.6	79%	0.793	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-70.8	127.6	155.9	0	0	0	0	0	109.3	S368	S368-A370 PolarHBondContact O-N 2.9Å
371	V	34.6	Very low	41.4	Very low	123 Å²	123	132.4 Å²	132.4	75%	0.745	74%	0.738	S	S	*	*			trans	-121.3	101	157.2	-174.6	0	0	0	0	101.8
372	L	34.6	Very low	44.2	Very low	156 Å²	156	129 Å²	129	82%	0.817	71%	0.707	S	S	*	*				52.6	119.6	93.2	-61.8	179.9	0	0	0	110.9
373	G	37.9	Very low	47.3	Very low	83 Å²	83	131.9 Å²	131.9	86%	0.856	70%	0.703	S	S	*	*			trans	-69.4	156.2	-175.3	0	0	0	0	0	112.8
374	D	32.6	Very low	50.4	Low	139 Å²	139	121 Å²	121	74%	0.743	66%	0.662	S	S	*	*			trans	-129.5	94.8	-179.6	-154.7	50.8	0	0	0	107.7
375	D	37.3	Very low	53.4	Low	158 Å²	158	114.5 Å²	114.5	85%	0.845	64%	0.644	S	S	*	*			trans	-65.5	160.4	153.9	-89.8	-57.3	0	0	0	108.3
376	E	46	Very low	56.4	Low	165 Å²	165	109.8 Å²	109.8	77%	0.771	61%	0.61	S	S	*	*			trans	65.9	56.1	173.1	-160.8	160.7	-136.9	0	0	116	T378	E376-T378 VanDerWaalsContact C-N 3.3Å; E376-T378 HydrophobicContact CG-CG2 4.05Å; E376-T378 PolarHBondContact O-N 2.91Å
377	I	51	Low	59	Low	96 Å²	96	109.1 Å²	109.1	49%	0.492	60%	0.595	S	S	.	*			trans	-57.2	100	149.7	-61.9	174.7	0	0	0	107.4	R379	I377-R379 PolarHBondContact O-N 3.3Å
378	T	56.3	Low	61.9	Low	82 Å²	82	106.2 Å²	106.2	50%	0.503	57%	0.57	S	S	.	*			trans	-59.9	122.6	-174.4	50.9	0	0	0	0	110.4	E376 E380	E376-T378 VanDerWaalsContact C-N 3.3Å; E376-T378 HydrophobicContact CG-CG2 4.05Å; E376-T378 PolarHBondContact O-N 2.91Å; T378-E380 PolarHBondContact O-N 3.04Å
379	R	70.9	Confident	64.3	Low	148 Å²	148	102.3 Å²	102.3	56%	0.558	55%	0.548	S	S	*	.			trans	-73.9	19.6	177	-66.4	179.5	174.7	-116	0.3	112.4	I377 Q461 E465	I377-R379 PolarHBondContact O-N 3.3Å; R379-Q461 WeakPolarHBondContact O-CG 3.34Å; R379-Q461 PolarHBondContact O-NE2 2.7Å; R379-E465 IonicContact CZ-OE1 3.04Å; R379-E465 VanDerWaalsContact NH1-CD 3.32Å; R379-E465 IonicContact NH1-OE1 2.73Å; R379-E465 PolarHBondContact NH1-OE1 3.23Å; R379-E465 IonicContact NH1-OE2 2.72Å; R379-E465 PolarHBondContact NH1-OE2 2.97Å; R379-E465 IonicContact NH2-OE1 3.37Å; R379-E465 PolarHBondContact NH2-OE1 2.79Å
380	E	79.9	Confident	66.3	Low	137 Å²	137	99.8 Å²	99.8	64%	0.64	55%	0.554	S	S	*	*	S	Bend	trans	-90.1	156.1	-174.3	-60.1	-155.6	139.9	0	0	112	T378 R382	T378-E380 PolarHBondContact O-N 3.04Å; E380-R382 PolarHBondContact O-N 3.12Å
381	P	88	Confident	68.3	Low	66 Å²	66	99.9 Å²	99.9	43%	0.429	55%	0.545	S	S	.	.			trans	-66.4	112.7	172.8	-21	34.8	0	0	0	111.9	I430 V459 A460 Q461	P381-I430 HydrophobicContact CB-CD1 3.75Å; P381-I430 HydrophobicContact CG-CD1 3.76Å; P381-V459 HydrophobicContact CB-CG1 3.74Å; P381-A460 CarbonylContact C-O 3.59Å; P381-A460 WeakPolarHBondContact CA-O 3.09Å; P381-Q461 HydrophobicContact CB-CB 4.5Å; P381-Q461 HydrophobicContact CG-CB 4.43Å; P381-Q461 HydrophobicContact CG-CG 4.42Å
382	R	92.1	Very high	70.8	Confident	68 Å²	68	95.2 Å²	95.2	26%	0.257	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	147.1	176	61.6	-174.2	-175.9	-77.5	-4.4	111.7	E380 E422 D427 V459 A460	E380-R382 PolarHBondContact O-N 3.12Å; R382-E422 VanDerWaalsContact CZ-O 3.25Å; R382-E422 PolarHBondContact NE-O 3.42Å; R382-E422 PolarHBondContact NH2-O 2.75Å; R382-D427 IonicContact CZ-OD1 2.66Å; R382-D427 IonicContact CZ-OD2 3.19Å; R382-D427 IonicContact NH1-OD1 3.18Å; R382-D427 PolarHBondContact NH1-OD1 2.88Å; R382-D427 IonicContact NH2-OD1 2.66Å; R382-D427 PolarHBondContact NH2-OD1 3.33Å; R382-D427 IonicContact NH2-OD2 2.73Å; R382-D427 PolarHBondContact NH2-OD2 2.78Å; R382-V459 CarbonylContact O-C 3.58Å; R382-V459 WeakPolarHBondContact O-CA 3.32Å; R382-A460 PolarHBondContact N-O 3.27Å; R382-A460 PolarHBondContact O-N 2.88Å
383	K	91.9	Very high	73.3	Confident	149 Å²	149	88.6 Å²	88.6	65%	0.648	49%	0.486	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107	98	-174.8	-177.1	-166	176.9	-170.7	0	110.4	T457 I458 V459	K383-T457 HydrophobicContact CD-CG2 4.17Å; K383-T457 HydrophobicContact CG-CG2 3.77Å; K383-I458 CarbonylContact C-O 3.47Å; K383-V459 HydrophobicContact CB-CG2 4.41Å; K383-V459 HydrophobicContact CG-CG2 4.32Å
384	V	92.6	Very high	75.5	Confident	0 Å²	0	85 Å²	85	0%	0	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	146.8	178	179.8	0	0	0	0	110.4	L386 E422 L423 T457 I458	V384-L386 HydrophobicContact CG1-CD2 3.62Å; V384-L386 HydrophobicContact CG1-CG 3.88Å; V384-E422 WeakPolarHBondContact CA-OE2 3.41Å; V384-E422 HydrophobicContact CB-CB 4.38Å; V384-E422 HydrophobicContact CG1-CB 4.07Å; V384-E422 WeakPolarHBondContact CG1-OE2 3.46Å; V384-E422 HydrophobicContact CG2-CB 3.55Å; V384-L423 HydrophobicContact CB-CD2 4.31Å; V384-L423 HydrophobicContact CG1-CD1 4.46Å; V384-L423 HydrophobicContact CG1-CD2 4.49Å; V384-L423 HydrophobicContact CG1-CG 4.16Å; V384-L423 HydrophobicContact CG2-CD2 3.71Å; V384-L423 HydrophobicContact CG2-CG 4.15Å; V384-T457 CarbonylContact O-C 3.54Å; V384-T457 WeakPolarHBondContact O-CA 3.16Å; V384-I458 PolarHBondContact N-O 2.83Å; V384-I458 PolarHBondContact O-N 2.81Å
385	V	91.9	Very high	78.2	Confident	71 Å²	71	79.5 Å²	79.5	43%	0.43	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	112.5	169	-177.3	0	0	0	0	109.8	T457	V385-T457 HydrophobicContact CG2-CG2 4.46Å
386	L	91.9	Very high	80.6	Confident	3 Å²	3	76.3 Å²	76.3	2%	0.016	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	139.1	178.3	-59.9	-174.2	0	0	0	111.5	V384 L393 F395 A417 S420 L423 V456 I458	V384-L386 HydrophobicContact CG1-CD2 3.62Å; V384-L386 HydrophobicContact CG1-CG 3.88Å; L386-L393 HydrophobicContact CB-CD2 4.03Å; L386-L393 HydrophobicContact CD1-CB 4.25Å; L386-L393 HydrophobicContact CD1-CD2 4.49Å; L386-F395 HydrophobicContact CD1-CD1 4.19Å; L386-F395 HydrophobicContact CD1-CE1 3.86Å; L386-A417 HydrophobicContact CD1-CB 3.84Å; L386-S420 WeakPolarHBondContact CD2-OG 3.36Å; L386-L423 HydrophobicContact CD1-CD1 3.83Å; L386-V456 PolarHBondContact N-O 3.04Å; L386-V456 PolarHBondContact O-N 3.37Å; L386-I458 HydrophobicContact CD1-CD1 4Å
387	H	89.2	Confident	82.7	Confident	122 Å²	122	69.7 Å²	69.7	57%	0.565	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.4	136.3	166.6	-70.6	-86.4	0	0	0	110.2	G389 P416 Q454	H387-G389 PolarHBondContact O-N 2.98Å; H387-P416 VanDerWaalsContact O-CB 3.24Å; H387-P416 WeakPolarHBondContact O-CB 3.49Å; H387-P416 WeakPolarHBondContact O-CG 3.49Å; H387-Q454 WeakPolarHBondContact CA-O 3.09Å
388	R	87.3	Confident	84.3	Confident	68 Å²	68	67.1 Å²	67.1	26%	0.257	36%	0.36	S	S	.	.			trans	-74.4	117.2	-176	-172.5	176.1	-68.7	177.4	-2.6	111	L393 L449 K450 G453 Q454	R388-L393 HydrophobicContact CB-CD2 4.19Å; R388-L449 PolarHBondContact NH2-O 2.9Å; R388-K450 PolarHBondContact NH1-O 2.84Å; R388-K450 PolarHBondContact NH2-O 2.93Å; R388-G453 PolarHBondContact NE-O 2.67Å; R388-G453 PolarHBondContact NH2-O 3.25Å; R388-Q454 PolarHBondContact N-O 2.62Å; R388-Q454 PolarHBondContact O-NE2 3.02Å
389	G	81.1	Confident	85.8	Confident	32 Å²	32	63.7 Å²	63.7	33%	0.33	34%	0.341	S	S	.	.	B	Isolated β-bridge	trans	-83	180	173.6	0	0	0	0	0	112.6	H387 T391 G392	H387-G389 PolarHBondContact O-N 2.98Å; G389-T391 PolarHBondContact O-N 3.42Å; G389-G392 PolarHBondContact N-O 3.04Å; G389-G392 PolarHBondContact O-N 3.17Å
390	S	74.8	Confident	86.4	Confident	133 Å²	133	57.2 Å²	57.2	93%	0.93	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-27.4	177.2	49.5	0	0	0	0	113.8
391	T	73	Confident	86.3	Confident	99 Å²	99	57 Å²	57	61%	0.607	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	11.5	177.3	53.7	0	0	0	0	113.6	G389	G389-T391 PolarHBondContact O-N 3.42Å
392	G	86.6	Confident	85.8	Confident	24 Å²	24	60.9 Å²	60.9	25%	0.247	34%	0.337	C	S	.	.	B	Isolated β-bridge	trans	94.1	-136.9	-176.3	0	0	0	0	0	112.7	G389	G389-G392 PolarHBondContact N-O 3.04Å; G389-G392 PolarHBondContact O-N 3.17Å
393	L	86.9	Confident	84.8	Confident	17 Å²	17	60.7 Å²	60.7	9%	0.089	36%	0.356	C	S	.	.	S	Bend	trans	-96	-10.5	-178	-61	172.9	0	0	0	113.8	L386 R388 F395 A417 L449 V456	L386-L393 HydrophobicContact CB-CD2 4.03Å; L386-L393 HydrophobicContact CD1-CB 4.25Å; L386-L393 HydrophobicContact CD1-CD2 4.49Å; R388-L393 HydrophobicContact CB-CD2 4.19Å; L393-F395 HydrophobicContact CB-CD1 3.86Å; L393-F395 HydrophobicContact CB-CE1 3.57Å; L393-F395 HydrophobicContact CD1-CE1 3.94Å; L393-F395 HydrophobicContact CD1-CZ 4.27Å; L393-F395 HydrophobicContact CG-CE1 4.4Å; L393-A417 WeakPolarHBondContact O-CB 3.29Å; L393-A417 PolarHBondContact O-N 3.04Å; L393-A417 VanDerWaalsContact O-N 3.08Å; L393-L449 HydrophobicContact CD1-CD2 3.96Å; L393-V456 HydrophobicContact CD1-CB 4.17Å; L393-V456 HydrophobicContact CD1-CG1 3.97Å; L393-V456 HydrophobicContact CD1-CG2 4.13Å; L393-V456 HydrophobicContact CD2-CB 4.02Å; L393-V456 HydrophobicContact CD2-CG2 3.8Å
394	G	84.2	Confident	84.5	Confident	8 Å²	8	56.5 Å²	56.5	8%	0.082	34%	0.338	C	S	.	.	S	Bend	trans	77.8	28.8	176.8	0	0	0	0	0	115.5	L412	G394-L412 WeakPolarHBondContact O-CB 3.18Å; G394-L412 PolarHBondContact O-N 3.09Å
395	F	89.3	Confident	84.3	Confident	24 Å²	24	56.6 Å²	56.6	11%	0.105	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	157.1	171.6	69.8	-89.9	0	0	0	112.1	L386 L393 I397 I408 F410 I411 A417 L423 I429 L449 I458	L386-F395 HydrophobicContact CD1-CD1 4.19Å; L386-F395 HydrophobicContact CD1-CE1 3.86Å; L393-F395 HydrophobicContact CB-CD1 3.86Å; L393-F395 HydrophobicContact CB-CE1 3.57Å; L393-F395 HydrophobicContact CD1-CE1 3.94Å; L393-F395 HydrophobicContact CD1-CZ 4.27Å; L393-F395 HydrophobicContact CG-CE1 4.4Å; F395-I397 HydrophobicContact CD2-CG2 4.04Å; F395-I397 HydrophobicContact CE2-CG2 3.67Å; F395-I408 HydrophobicContact CB-CG2 4.14Å; F395-I408 HydrophobicContact CD2-CD1 3.94Å; F395-I408 HydrophobicContact CD2-CG1 3.9Å; F395-I408 HydrophobicContact CD2-CG2 4.26Å; F395-I408 HydrophobicContact CE2-CD1 4.19Å; F395-I408 HydrophobicContact CE2-CG1 4.2Å; F395-I408 HydrophobicContact CG-CD1 4.37Å; F395-F410 CarbonylContact C-O 3.52Å; F395-F410 VanDerWaalsContact CA-O 3.25Å; F395-F410 WeakPolarHBondContact CA-O 3.16Å; F395-F410 WeakPolarHBondContact CB-O 3.42Å; F395-I411 HydrophobicContact CB-CG1 4.01Å; F395-A417 HydrophobicContact CB-CB 4.21Å; F395-A417 HydrophobicContact CD1-CB 3.8Å; F395-A417 HydrophobicContact CG-CB 4.44Å; F395-L423 HydrophobicContact CD1-CD1 4.17Å; F395-L423 HydrophobicContact CE1-CD1 4.14Å; F395-I429 HydrophobicContact CE2-CD1 3.77Å; F395-I429 HydrophobicContact CZ-CD1 4.3Å; F395-L449 HydrophobicContact CE2-CD1 4.06Å; F395-L449 HydrophobicContact CZ-CD1 4.12Å; F395-L449 HydrophobicContact CZ-CD2 3.78Å; F395-I458 HydrophobicContact CE1-CD1 3.65Å; F395-I458 HydrophobicContact CZ-CD1 3.57Å
396	N	87.4	Confident	84.4	Confident	91 Å²	91	53.2 Å²	53.2	49%	0.487	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	148.4	177.3	-64	-11.9	0	0	0	111	I408 S409 F410	N396-I408 WeakPolarHBondContact O-CA 3.41Å; N396-S409 PolarHBondContact O-N 2.98Å; N396-F410 HydrophobicContact CB-CB 4.17Å; N396-F410 PolarHBondContact N-O 3.37Å
397	I	90.9	Very high	84.5	Confident	26 Å²	26	53.1 Å²	53.1	13%	0.133	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	152.2	174.8	60.8	161.5	0	0	0	112.6	F395 I406 F407 I429 A445 A446 L449	F395-I397 HydrophobicContact CD2-CG2 4.04Å; F395-I397 HydrophobicContact CE2-CG2 3.67Å; I397-I406 HydrophobicContact CB-CG2 4.02Å; I397-I406 HydrophobicContact CD1-CG2 4.03Å; I397-I406 HydrophobicContact CG2-CG2 4.13Å; I397-F407 CarbonylContact C-O 3.56Å; I397-F407 VanDerWaalsContact CA-O 3.25Å; I397-F407 WeakPolarHBondContact CA-O 3.48Å; I397-I429 HydrophobicContact CG2-CD1 3.66Å; I397-A445 HydrophobicContact CD1-CB 3.87Å; I397-A446 HydrophobicContact CD1-CB 4.44Å; I397-L449 HydrophobicContact CD1-CD1 4.09Å; I397-L449 HydrophobicContact CG2-CD1 3.93Å
398	V	84	Confident	84.6	Confident	42 Å²	42	47.3 Å²	47.3	26%	0.255	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	168.8	172.5	-64.2	0	0	0	0	110.4	I406 F407 Y467 F470	V398-I406 WeakPolarHBondContact O-CA 3.39Å; V398-F407 HydrophobicContact CG2-CB 4.29Å; V398-F407 PolarHBondContact N-O 3.46Å; V398-F407 PolarHBondContact O-N 3.36Å; V398-Y467 HydrophobicContact CG2-CE2 3.86Å; V398-F470 HydrophobicContact CB-CE1 3.98Å; V398-F470 HydrophobicContact CB-CZ 4.49Å; V398-F470 HydrophobicContact CG2-CD1 4.26Å; V398-F470 HydrophobicContact CG2-CE1 3.7Å
399	G	87.6	Confident	84.6	Confident	9 Å²	9	45.3 Å²	45.3	9%	0.093	29%	0.288	C	S	.	.			trans	81.2	-170.6	-174.9	0	0	0	0	0	113	G405 H442 F470	G399-G405 WeakPolarHBondContact CA-O 3.32Å; G399-H442 WeakPolarHBondContact O-CB 3.47Å; G399-H442 PolarHBondContact O-ND1 3.21Å; G399-H442 VanDerWaalsContact O-ND1 3.16Å; G399-F470 VanDerWaalsContact CA-CZ 3.49Å
400	G	84.1	Confident	84.8	Confident	12 Å²	12	48.7 Å²	48.7	12%	0.124	29%	0.294	C	S	.	.			trans	86.5	28.2	-169.2	0	0	0	0	0	114.2	E404 G405 S441 H442	G400-E404 WeakPolarHBondContact CA-O 3.44Å; G400-E404 PolarHBondContact N-O 3.37Å; G400-E404 VanDerWaalsContact N-O 3.14Å; G400-G405 PolarHBondContact N-O 3.14Å; G400-S441 WeakPolarHBondContact O-CA 3.37Å; G400-H442 PolarHBondContact O-N 2.82Å
401	E	78.6	Confident	85	Confident	132 Å²	132	43.9 Å²	43.9	62%	0.617	26%	0.257	S	S	*	.	S	Bend	trans	-125.3	143.9	174.5	-174.6	167.1	-142	0	0	108	G403 E404	E401-G403 PolarHBondContact O-N 2.77Å; E401-E404 VanDerWaalsContact O-CB 3.27Å; E401-E404 WeakPolarHBondContact O-CB 3.48Å; E401-E404 WeakPolarHBondContact O-CG 3.24Å; E401-E404 PolarHBondContact O-N 2.73Å
402	D	75.8	Confident	85	Confident	149 Å²	149	42.5 Å²	42.5	80%	0.797	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.4	22.1	-174.3	-64.7	-21	0	0	0	116.6
403	G	72.9	Confident	84.2	Confident	64 Å²	64	45.2 Å²	45.2	66%	0.66	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.9	6.7	-176.1	0	0	0	0	0	115	E401	E401-G403 PolarHBondContact O-N 2.77Å
404	E	84.7	Confident	83.4	Confident	60 Å²	60	47 Å²	47	28%	0.28	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-61.8	145.7	169.3	-63.9	-68.2	177.8	0	0	111.3	G400 E401 F470 K473	G400-E404 WeakPolarHBondContact CA-O 3.44Å; G400-E404 PolarHBondContact N-O 3.37Å; G400-E404 VanDerWaalsContact N-O 3.14Å; E401-E404 VanDerWaalsContact O-CB 3.27Å; E401-E404 WeakPolarHBondContact O-CB 3.48Å; E401-E404 WeakPolarHBondContact O-CG 3.24Å; E401-E404 PolarHBondContact O-N 2.73Å; E404-F470 HydrophobicContact CB-CD2 4.01Å; E404-F470 HydrophobicContact CB-CE2 4.03Å; E404-F470 HydrophobicContact CG-CD2 3.99Å; E404-F470 HydrophobicContact CG-CE2 4.14Å; E404-K473 WeakPolarHBondContact OE1-CD 3.41Å; E404-K473 IonicContact OE1-NZ 2.68Å; E404-K473 PolarHBondContact OE1-NZ 2.9Å
405	G	89.1	Confident	83.2	Confident	2 Å²	2	46.7 Å²	46.7	2%	0.021	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-64	158.4	179.6	0	0	0	0	0	113.8	G399 G400 F407	G399-G405 WeakPolarHBondContact CA-O 3.32Å; G400-G405 PolarHBondContact N-O 3.14Å; G405-F407 WeakPolarHBondContact O-CD2 3.1Å; G405-F407 VanDerWaalsContact O-CE2 3.29Å; G405-F407 WeakPolarHBondContact O-CE2 3.44Å
406	I	93.7	Very high	83	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-81.8	121.5	167.5	-55	-65.6	0	0	0	108.6	I397 V398 R428 I429 A445	I397-I406 HydrophobicContact CB-CG2 4.02Å; I397-I406 HydrophobicContact CD1-CG2 4.03Å; I397-I406 HydrophobicContact CG2-CG2 4.13Å; V398-I406 WeakPolarHBondContact O-CA 3.39Å; I406-R428 CarbonylContact O-C 3.51Å; I406-R428 WeakPolarHBondContact O-CA 3.5Å; I406-I429 HydrophobicContact CB-CB 4.47Å; I406-I429 HydrophobicContact CG2-CB 4.25Å; I406-I429 HydrophobicContact CG2-CD1 4.27Å; I406-I429 PolarHBondContact O-N 2.99Å; I406-A445 HydrophobicContact CB-CB 4.48Å; I406-A445 HydrophobicContact CD1-CB 3.59Å; I406-A445 HydrophobicContact CG1-CB 3.71Å; I406-A445 HydrophobicContact CG2-CB 4.03Å
407	F	94	Very high	83.1	Confident	2 Å²	2	42.4 Å²	42.4	1%	0.009	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	149.5	-178.8	-60.5	-90.1	0	0	0	112.9	I397 V398 G405 D427 R428 R463 E466 Y467	I397-F407 CarbonylContact C-O 3.56Å; I397-F407 VanDerWaalsContact CA-O 3.25Å; I397-F407 WeakPolarHBondContact CA-O 3.48Å; V398-F407 HydrophobicContact CG2-CB 4.29Å; V398-F407 PolarHBondContact N-O 3.46Å; V398-F407 PolarHBondContact O-N 3.36Å; G405-F407 WeakPolarHBondContact O-CD2 3.1Å; G405-F407 VanDerWaalsContact O-CE2 3.29Å; G405-F407 WeakPolarHBondContact O-CE2 3.44Å; F407-D427 CarbonylContact C-O 3.57Å; F407-D427 VanDerWaalsContact CA-O 3.3Å; F407-D427 WeakPolarHBondContact CA-O 3.42Å; F407-R428 HydrophobicContact CD1-CB 3.75Å; F407-R428 HydrophobicContact CD1-CG 4.19Å; F407-R428 HydrophobicContact CE1-CB 3.67Å; F407-R428 HydrophobicContact CE1-CG 3.94Å; F407-R428 HydrophobicContact CZ-CG 4.32Å; F407-R463 HydrophobicContact CE1-CB 4.21Å; F407-E466 HydrophobicContact CE1-CB 3.92Å; F407-E466 HydrophobicContact CZ-CB 3.79Å; F407-Y467 HydrophobicContact CB-CD2 3.42Å; F407-Y467 VanDerWaalsContact CB-CD2 3.42Å; F407-Y467 HydrophobicContact CB-CE2 3.77Å; F407-Y467 AromaticContact CD1-CD2 3.96Å; F407-Y467 HydrophobicContact CD1-CD2 3.96Å; F407-Y467 HydrophobicContact CD1-CG 4.49Å; F407-Y467 HydrophobicContact CD2-CD2 4.32Å; F407-Y467 AromaticContact CG-CD2 3.68Å; F407-Y467 HydrophobicContact CG-CD2 3.68Å; F407-Y467 HydrophobicContact CG-CE2 4.45Å
408	I	91.4	Very high	82.7	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	116.2	171	-60	-176.7	0	0	0	109.7	F395 N396 I411 L423 K425 G426 D427 I429	F395-I408 HydrophobicContact CB-CG2 4.14Å; F395-I408 HydrophobicContact CD2-CD1 3.94Å; F395-I408 HydrophobicContact CD2-CG1 3.9Å; F395-I408 HydrophobicContact CD2-CG2 4.26Å; F395-I408 HydrophobicContact CE2-CD1 4.19Å; F395-I408 HydrophobicContact CE2-CG1 4.2Å; F395-I408 HydrophobicContact CG-CD1 4.37Å; N396-I408 WeakPolarHBondContact O-CA 3.41Å; I408-I411 HydrophobicContact CG2-CD1 4.26Å; I408-I411 HydrophobicContact CG2-CG1 3.84Å; I408-L423 HydrophobicContact CD1-CB 4.06Å; I408-L423 HydrophobicContact CD1-CD1 3.86Å; I408-L423 HydrophobicContact CD1-CD2 3.97Å; I408-L423 HydrophobicContact CD1-CG 4.18Å; I408-K425 WeakPolarHBondContact O-CA 3.44Å; I408-G426 PolarHBondContact O-N 3.17Å; I408-D427 HydrophobicContact CB-CB 4.48Å; I408-D427 HydrophobicContact CD1-CB 4.12Å; I408-D427 HydrophobicContact CG1-CB 4.35Å; I408-D427 PolarHBondContact N-O 3.1Å; I408-I429 HydrophobicContact CD1-CD1 4.41Å; I408-I429 HydrophobicContact CD1-CG1 4.4Å; I408-I429 HydrophobicContact CG1-CD1 4.02Å; I408-I429 HydrophobicContact CG1-CG1 4.07Å
409	S	86.3	Confident	82.6	Confident	26 Å²	26	49.2 Å²	49.2	18%	0.182	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	-23.8	-179.1	58.5	0	0	0	0	114.2	N396 K425 Y467	N396-S409 PolarHBondContact O-N 2.98Å; S409-K425 WeakPolarHBondContact O-CD 3.43Å; S409-K425 WeakPolarHBondContact O-CE 3.47Å; S409-K425 WeakPolarHBondContact O-CG 3.07Å; S409-Y467 WeakPolarHBondContact CA-OH 3.36Å; S409-Y467 WeakPolarHBondContact CB-OH 3.39Å
410	F	85.1	Confident	82.6	Confident	103 Å²	103	50.9 Å²	50.9	45%	0.452	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	148.5	-177.3	175.7	-101.4	0	0	0	110.6	F395 N396 L412	F395-F410 CarbonylContact C-O 3.52Å; F395-F410 VanDerWaalsContact CA-O 3.25Å; F395-F410 WeakPolarHBondContact CA-O 3.16Å; F395-F410 WeakPolarHBondContact CB-O 3.42Å; N396-F410 HydrophobicContact CB-CB 4.17Å; N396-F410 PolarHBondContact N-O 3.37Å; F410-L412 HydrophobicContact CE1-CB 4.08Å; F410-L412 HydrophobicContact CE1-CD1 4.28Å
411	I	79.6	Confident	82.7	Confident	32 Å²	32	53 Å²	53	16%	0.164	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	132.6	172.1	-63.9	-177.3	0	0	0	107.9	F395 I408 A417 D418 L423	F395-I411 HydrophobicContact CB-CG1 4.01Å; I408-I411 HydrophobicContact CG2-CD1 4.26Å; I408-I411 HydrophobicContact CG2-CG1 3.84Å; I411-A417 HydrophobicContact CG2-CB 4.19Å; I411-D418 HydrophobicContact CG2-CB 3.84Å; I411-L423 HydrophobicContact CD1-CB 3.86Å; I411-L423 WeakPolarHBondContact CD1-O 3.34Å
412	L	72.1	Confident	83.1	Confident	69 Å²	69	51.1 Å²	51.1	36%	0.361	32%	0.323	S	S	.	.			trans	-82.4	113.1	-178.5	179.9	67.2	0	0	0	109.4	G394 F410 G414 G415 D418	G394-L412 WeakPolarHBondContact O-CB 3.18Å; G394-L412 PolarHBondContact O-N 3.09Å; F410-L412 HydrophobicContact CE1-CB 4.08Å; F410-L412 HydrophobicContact CE1-CD1 4.28Å; L412-G414 PolarHBondContact O-N 2.73Å; L412-G415 WeakPolarHBondContact O-CA 3.19Å; L412-G415 PolarHBondContact O-N 3Å; L412-D418 WeakPolarHBondContact O-CB 3.39Å
413	A	70.9	Confident	83.8	Confident	82 Å²	82	44.3 Å²	44.3	68%	0.678	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	132.7	175.5	0	0	0	0	0	111.6	G415 D418	A413-G415 PolarHBondContact O-N 2.69Å; A413-D418 WeakPolarHBondContact CA-OD2 3.33Å
414	G	70.3	Confident	84.6	Confident	53 Å²	53	47.4 Å²	47.4	55%	0.546	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.6	0.2	-172.8	0	0	0	0	0	115.4	L412 D418 L419	L412-G414 PolarHBondContact O-N 2.73Å; G414-D418 PolarHBondContact N-OD2 3.18Å; G414-L419 WeakPolarHBondContact O-CD1 3.35Å
415	G	79.5	Confident	84.8	Confident	3 Å²	3	49.3 Å²	49.3	3%	0.031	29%	0.285	C	S	.	.	S	Bend	trans	-81.7	166	172.4	0	0	0	0	0	112.7	L412 A413 A417 D418 L419	L412-G415 WeakPolarHBondContact O-CA 3.19Å; L412-G415 PolarHBondContact O-N 3Å; A413-G415 PolarHBondContact O-N 2.69Å; G415-A417 VanDerWaalsContact C-N 3.3Å; G415-A417 PolarHBondContact O-N 3.28Å; G415-A417 VanDerWaalsContact O-N 3.16Å; G415-D418 WeakPolarHBondContact O-CB 3.15Å; G415-D418 PolarHBondContact O-N 3.22Å; G415-L419 WeakPolarHBondContact O-CG 3.49Å; G415-L419 PolarHBondContact O-N 2.59Å
416	P	85.7	Confident	84.7	Confident	24 Å²	24	49.2 Å²	49.2	16%	0.156	29%	0.285	C	S	.	.	H	α-helix	trans	-57.1	-34.5	-173.9	-28.6	36	0	0	0	115.8	H387 S420	H387-P416 VanDerWaalsContact O-CB 3.24Å; H387-P416 WeakPolarHBondContact O-CB 3.49Å; H387-P416 WeakPolarHBondContact O-CG 3.49Å; P416-S420 PolarHBondContact O-N 3.2Å; P416-S420 VanDerWaalsContact O-N 3.15Å
417	A	88.1	Confident	84.7	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-74.7	-22.7	175.8	0	0	0	0	0	114.7	L386 L393 F395 I411 G415 S420 L423	L386-A417 HydrophobicContact CD1-CB 3.84Å; L393-A417 WeakPolarHBondContact O-CB 3.29Å; L393-A417 PolarHBondContact O-N 3.04Å; L393-A417 VanDerWaalsContact O-N 3.08Å; F395-A417 HydrophobicContact CB-CB 4.21Å; F395-A417 HydrophobicContact CD1-CB 3.8Å; F395-A417 HydrophobicContact CG-CB 4.44Å; I411-A417 HydrophobicContact CG2-CB 4.19Å; G415-A417 VanDerWaalsContact C-N 3.3Å; G415-A417 PolarHBondContact O-N 3.28Å; G415-A417 VanDerWaalsContact O-N 3.16Å; A417-S420 PolarHBondContact O-OG 3.39Å; A417-L423 HydrophobicContact CB-CD1 4.08Å
418	D	84.3	Confident	84.7	Confident	78 Å²	78	51.8 Å²	51.8	42%	0.417	29%	0.294	S	S	.	.	H	α-helix	trans	-80.4	-45.5	172.2	-173.4	61.1	0	0	0	109.8	I411 L412 A413 G414 G415 S420 G421	I411-D418 HydrophobicContact CG2-CB 3.84Å; L412-D418 WeakPolarHBondContact O-CB 3.39Å; A413-D418 WeakPolarHBondContact CA-OD2 3.33Å; G414-D418 PolarHBondContact N-OD2 3.18Å; G415-D418 WeakPolarHBondContact O-CB 3.15Å; G415-D418 PolarHBondContact O-N 3.22Å; D418-S420 PolarHBondContact O-N 3.43Å; D418-G421 PolarHBondContact O-N 3.45Å
419	L	81.7	Confident	84.8	Confident	134 Å²	134	51.8 Å²	51.8	70%	0.702	29%	0.294	S	S	*	.	H	α-helix	trans	-65.2	-19.9	178.1	-66.6	175.3	0	0	0	114.3	G414 G415	G414-L419 WeakPolarHBondContact O-CD1 3.35Å; G415-L419 WeakPolarHBondContact O-CG 3.49Å; G415-L419 PolarHBondContact O-N 2.59Å
420	S	87	Confident	85.2	Confident	43 Å²	43	51.1 Å²	51.1	30%	0.301	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-27.6	169.5	74.7	0	0	0	0	113	L386 P416 A417 D418 E422	L386-S420 WeakPolarHBondContact CD2-OG 3.36Å; P416-S420 PolarHBondContact O-N 3.2Å; P416-S420 VanDerWaalsContact O-N 3.15Å; A417-S420 PolarHBondContact O-OG 3.39Å; D418-S420 PolarHBondContact O-N 3.43Å; S420-E422 PolarHBondContact O-N 3.14Å; S420-E422 VanDerWaalsContact O-N 3.08Å; S420-E422 PolarHBondContact OG-N 3.45Å
421	G	85.3	Confident	85.6	Confident	57 Å²	57	47.3 Å²	47.3	59%	0.588	28%	0.275	S	S	*	.			trans	66.9	-5	-172.7	0	0	0	0	0	115.5	D418	D418-G421 PolarHBondContact O-N 3.45Å
422	E	87.6	Confident	86.3	Confident	92 Å²	92	45.8 Å²	45.8	43%	0.43	27%	0.267	S	S	.	.			trans	-86.2	-16.9	-171.9	-59.5	-173.8	147.7	0	0	113.8	R382 V384 S420	R382-E422 VanDerWaalsContact CZ-O 3.25Å; R382-E422 PolarHBondContact NE-O 3.42Å; R382-E422 PolarHBondContact NH2-O 2.75Å; V384-E422 WeakPolarHBondContact CA-OE2 3.41Å; V384-E422 HydrophobicContact CB-CB 4.38Å; V384-E422 HydrophobicContact CG1-CB 4.07Å; V384-E422 WeakPolarHBondContact CG1-OE2 3.46Å; V384-E422 HydrophobicContact CG2-CB 3.55Å; S420-E422 PolarHBondContact O-N 3.14Å; S420-E422 VanDerWaalsContact O-N 3.08Å; S420-E422 PolarHBondContact OG-N 3.45Å
423	L	91.2	Very high	87.1	Confident	7 Å²	7	45.4 Å²	45.4	4%	0.037	27%	0.265	C	S	.	.			trans	-106	148.4	176.1	-64.8	179.6	0	0	0	111.5	V384 L386 F395 I408 I411 A417 D427 I458 A460	V384-L423 HydrophobicContact CB-CD2 4.31Å; V384-L423 HydrophobicContact CG1-CD1 4.46Å; V384-L423 HydrophobicContact CG1-CD2 4.49Å; V384-L423 HydrophobicContact CG1-CG 4.16Å; V384-L423 HydrophobicContact CG2-CD2 3.71Å; V384-L423 HydrophobicContact CG2-CG 4.15Å; L386-L423 HydrophobicContact CD1-CD1 3.83Å; F395-L423 HydrophobicContact CD1-CD1 4.17Å; F395-L423 HydrophobicContact CE1-CD1 4.14Å; I408-L423 HydrophobicContact CD1-CB 4.06Å; I408-L423 HydrophobicContact CD1-CD1 3.86Å; I408-L423 HydrophobicContact CD1-CD2 3.97Å; I408-L423 HydrophobicContact CD1-CG 4.18Å; I411-L423 HydrophobicContact CD1-CB 3.86Å; I411-L423 WeakPolarHBondContact CD1-O 3.34Å; A417-L423 HydrophobicContact CB-CD1 4.08Å; L423-D427 WeakPolarHBondContact CA-OD2 3.35Å; L423-I458 HydrophobicContact CD1-CD1 4.22Å; L423-A460 HydrophobicContact CD2-CB 3.69Å
424	R	88.6	Confident	87.6	Confident	128 Å²	128	47.4 Å²	47.4	48%	0.483	27%	0.274	S	S	.	.			trans	-143.3	155.1	-177.2	-52.9	-173.7	78.8	-179.7	2.9	111.4	G426 D427	R424-G426 PolarHBondContact O-N 2.84Å; R424-D427 PolarHBondContact N-OD2 3.24Å; R424-D427 WeakPolarHBondContact O-CB 3.21Å; R424-D427 PolarHBondContact O-N 2.82Å; R424-D427 VanDerWaalsContact O-N 3.13Å
425	K	90.1	Very high	88.5	Confident	100 Å²	100	48.6 Å²	48.6	44%	0.435	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	130.7	170	-174.3	-174.1	-168.8	-141.3	0	109.2	I408 S409 Y462 Y467 E471	I408-K425 WeakPolarHBondContact O-CA 3.44Å; S409-K425 WeakPolarHBondContact O-CD 3.43Å; S409-K425 WeakPolarHBondContact O-CE 3.47Å; S409-K425 WeakPolarHBondContact O-CG 3.07Å; K425-Y462 WeakPolarHBondContact O-CE2 3.45Å; K425-Y467 HydrophobicContact CD-CE1 4.21Å; K425-Y467 VanDerWaalsContact CE-CE1 3.44Å; K425-Y467 VanDerWaalsContact CE-OH 3.24Å; K425-Y467 WeakPolarHBondContact CE-OH 3.32Å; K425-Y467 HydrophobicContact CG-CE1 4.06Å; K425-E471 WeakPolarHBondContact CE-OE1 3.46Å; K425-E471 VanDerWaalsContact NZ-CD 3.32Å; K425-E471 IonicContact NZ-OE1 3.91Å; K425-E471 PolarHBondContact NZ-OE1 3.17Å; K425-E471 IonicContact NZ-OE2 2.67Å; K425-E471 PolarHBondContact NZ-OE2 3.01Å; K425-E471 VanDerWaalsContact NZ-OE2 3.07Å
426	G	86.5	Confident	89.1	Confident	1 Å²	1	53 Å²	53	1%	0.01	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.8	6.1	-176.8	0	0	0	0	0	115.1	I408 R424 R463	I408-G426 PolarHBondContact O-N 3.17Å; R424-G426 PolarHBondContact O-N 2.84Å; G426-R463 CarbonylContact O-C 3.46Å; G426-R463 PolarHBondContact O-N 2.99Å
427	D	93.8	Very high	89.4	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	127.5	161.8	-78.7	-30.7	0	0	0	110.7	R382 F407 I408 L423 R424 A460 Q461 Y462	R382-D427 IonicContact CZ-OD1 2.66Å; R382-D427 IonicContact CZ-OD2 3.19Å; R382-D427 IonicContact NH1-OD1 3.18Å; R382-D427 PolarHBondContact NH1-OD1 2.88Å; R382-D427 IonicContact NH2-OD1 2.66Å; R382-D427 PolarHBondContact NH2-OD1 3.33Å; R382-D427 IonicContact NH2-OD2 2.73Å; R382-D427 PolarHBondContact NH2-OD2 2.78Å; F407-D427 CarbonylContact C-O 3.57Å; F407-D427 VanDerWaalsContact CA-O 3.3Å; F407-D427 WeakPolarHBondContact CA-O 3.42Å; I408-D427 HydrophobicContact CB-CB 4.48Å; I408-D427 HydrophobicContact CD1-CB 4.12Å; I408-D427 HydrophobicContact CG1-CB 4.35Å; I408-D427 PolarHBondContact N-O 3.1Å; L423-D427 WeakPolarHBondContact CA-OD2 3.35Å; R424-D427 PolarHBondContact N-OD2 3.24Å; R424-D427 WeakPolarHBondContact O-CB 3.21Å; R424-D427 PolarHBondContact O-N 2.82Å; R424-D427 VanDerWaalsContact O-N 3.13Å; D427-A460 HydrophobicContact CB-CB 4.25Å; D427-Q461 WeakPolarHBondContact CA-O 3.41Å; D427-Y462 VanDerWaalsContact OD1-CA 3.25Å; D427-Y462 WeakPolarHBondContact OD1-CA 3.44Å; D427-Y462 WeakPolarHBondContact OD1-CB 3.15Å; D427-Y462 PolarHBondContact OD1-N 2.91Å
428	R	93.9	Very high	89.4	Confident	55 Å²	55	58.4 Å²	58.4	21%	0.208	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	125.3	165.5	-171.4	175.8	176.7	154.4	1.8	109.1	I406 F407 R438 A460 Q461 R463 E466	I406-R428 CarbonylContact O-C 3.51Å; I406-R428 WeakPolarHBondContact O-CA 3.5Å; F407-R428 HydrophobicContact CD1-CB 3.75Å; F407-R428 HydrophobicContact CD1-CG 4.19Å; F407-R428 HydrophobicContact CE1-CB 3.67Å; F407-R428 HydrophobicContact CE1-CG 3.94Å; F407-R428 HydrophobicContact CZ-CG 4.32Å; R428-R438 PolarHBondContact NH2-O 3.34Å; R428-A460 CarbonylContact O-C 3.49Å; R428-A460 WeakPolarHBondContact O-CA 3.49Å; R428-Q461 PolarHBondContact N-O 3.43Å; R428-Q461 PolarHBondContact O-N 3.35Å; R428-R463 HydrophobicContact CB-CB 4.33Å; R428-R463 HydrophobicContact CB-CG 4.21Å; R428-E466 IonicContact CZ-OE2 2.66Å; R428-E466 IonicContact NH1-OE2 2.98Å; R428-E466 PolarHBondContact NH1-OE2 2.66Å
429	I	94.4	Very high	89.5	Confident	0 Å²	0	59 Å²	59	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	124.8	173.7	-57.5	-179.7	0	0	0	108.6	F395 I397 I406 I408 V432 L437 L449 I458	F395-I429 HydrophobicContact CE2-CD1 3.77Å; F395-I429 HydrophobicContact CZ-CD1 4.3Å; I397-I429 HydrophobicContact CG2-CD1 3.66Å; I406-I429 HydrophobicContact CB-CB 4.47Å; I406-I429 HydrophobicContact CG2-CB 4.25Å; I406-I429 HydrophobicContact CG2-CD1 4.27Å; I406-I429 PolarHBondContact O-N 2.99Å; I408-I429 HydrophobicContact CD1-CD1 4.41Å; I408-I429 HydrophobicContact CD1-CG1 4.4Å; I408-I429 HydrophobicContact CG1-CD1 4.02Å; I408-I429 HydrophobicContact CG1-CG1 4.07Å; I429-V432 HydrophobicContact CG2-CG2 3.91Å; I429-L437 HydrophobicContact CG2-CD1 3.93Å; I429-L449 HydrophobicContact CD1-CD1 4.37Å; I429-I458 HydrophobicContact CG1-CG2 4.44Å; I429-I458 HydrophobicContact CG2-CG2 3.93Å
430	I	93.9	Very high	89.7	Confident	13 Å²	13	53.2 Å²	53.2	7%	0.067	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	-42.8	179.2	-76.9	163.9	0	0	0	110.8	P381 D436 L437 R438 V459 Q461	P381-I430 HydrophobicContact CB-CD1 3.75Å; P381-I430 HydrophobicContact CG-CD1 3.76Å; I430-D436 VanDerWaalsContact O-OD1 3.06Å; I430-L437 PolarHBondContact O-N 2.8Å; I430-R438 HydrophobicContact CG1-CG 4.38Å; I430-R438 HydrophobicContact CG2-CG 4.16Å; I430-V459 HydrophobicContact CB-CB 4.32Å; I430-V459 HydrophobicContact CB-CG1 4.09Å; I430-V459 HydrophobicContact CG2-CB 4.36Å; I430-V459 HydrophobicContact CG2-CG1 4.07Å; I430-V459 PolarHBondContact N-O 3.05Å; I430-Q461 HydrophobicContact CD1-CB 3.66Å
431	S	93.4	Very high	89.9	Confident	22 Å²	22	53.2 Å²	53.2	15%	0.154	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	158.4	176.7	63.8	0	0	0	0	113.1	V435 I458 V459	S431-V435 CarbonylContact C-O 3.49Å; S431-V435 WeakPolarHBondContact CA-O 3.14Å; S431-V435 WeakPolarHBondContact CB-O 3.4Å; S431-I458 WeakPolarHBondContact O-CA 3.44Å; S431-V459 PolarHBondContact N-O 3.43Å; S431-V459 PolarHBondContact O-N 3.05Å; S431-V459 WeakPolarHBondContact OG-CB 3.39Å; S431-V459 VanDerWaalsContact OG-CG2 3.3Å; S431-V459 WeakPolarHBondContact OG-CG2 3.39Å
432	V	93.8	Very high	90	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.006	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	120.5	179.5	172.7	0	0	0	0	109.1	I429 S434 V435 L437 A448 L449 A452 V456 T457 I458	I429-V432 HydrophobicContact CG2-CG2 3.91Å; V432-S434 PolarHBondContact O-N 3.46Å; V432-V435 PolarHBondContact N-O 3.18Å; V432-V435 WeakPolarHBondContact O-CB 2.94Å; V432-V435 PolarHBondContact O-N 2.76Å; V432-L437 HydrophobicContact CB-CD1 4.1Å; V432-L437 HydrophobicContact CG2-CD1 3.56Å; V432-A448 HydrophobicContact CB-CB 4.4Å; V432-A448 HydrophobicContact CG1-CB 4.47Å; V432-L449 HydrophobicContact CB-CD2 4.45Å; V432-L449 HydrophobicContact CG1-CD2 3.97Å; V432-L449 HydrophobicContact CG1-CG 4.48Å; V432-L449 HydrophobicContact CG2-CD2 3.59Å; V432-L449 HydrophobicContact CG2-CG 4.07Å; V432-A452 HydrophobicContact CG1-CB 3.92Å; V432-V456 HydrophobicContact CG1-CG1 3.8Å; V432-T457 CarbonylContact C-O 3.57Å; V432-T457 WeakPolarHBondContact CA-O 3.45Å; V432-I458 HydrophobicContact CG2-CG1 4.42Å; V432-I458 HydrophobicContact CG2-CG2 4.45Å
433	N	88.1	Confident	90.1	Very high	60 Å²	60	57.6 Å²	57.6	32%	0.321	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	42.6	48.5	-174.3	-78	4	0	0	0	113.1	V435 A452 A455 T457	N433-V435 PolarHBondContact O-N 3.33Å; N433-A452 HydrophobicContact CB-CB 4.41Å; N433-A452 PolarHBondContact ND2-O 3.06Å; N433-A455 PolarHBondContact ND2-O 3.14Å; N433-T457 PolarHBondContact N-O 2.9Å; N433-T457 WeakPolarHBondContact OD1-CB 3.28Å; N433-T457 PolarHBondContact OD1-N 3.26Å
434	S	82.4	Confident	90	Very high	124 Å²	124	62.8 Å²	62.8	87%	0.867	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.1	4	-177.6	-51.8	0	0	0	0	116.8	V432	V432-S434 PolarHBondContact O-N 3.46Å
435	V	89.8	Confident	90.1	Very high	78 Å²	78	56.7 Å²	56.7	47%	0.473	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	117.6	166.5	-175.8	0	0	0	0	108.9	S431 V432 N433 L437 A448	S431-V435 CarbonylContact C-O 3.49Å; S431-V435 WeakPolarHBondContact CA-O 3.14Å; S431-V435 WeakPolarHBondContact CB-O 3.4Å; V432-V435 PolarHBondContact N-O 3.18Å; V432-V435 WeakPolarHBondContact O-CB 2.94Å; V432-V435 PolarHBondContact O-N 2.76Å; N433-V435 PolarHBondContact O-N 3.33Å; V435-L437 HydrophobicContact CG1-CD2 4.21Å; V435-A448 HydrophobicContact CG1-CB 4.46Å
436	D	90.9	Very high	90.1	Very high	95 Å²	95	52.8 Å²	52.8	51%	0.508	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	132.4	174.4	-168.6	-10.5	0	0	0	110.6	I430 R438	I430-D436 VanDerWaalsContact O-OD1 3.06Å; D436-R438 VanDerWaalsContact OD1-CB 3.26Å; D436-R438 WeakPolarHBondContact OD1-CB 3.04Å; D436-R438 WeakPolarHBondContact OD1-CD 2.82Å; D436-R438 WeakPolarHBondContact OD1-CG 3.5Å; D436-R438 PolarHBondContact OD1-N 2.9Å
437	L	92.1	Very high	90.2	Very high	2 Å²	2	54.7 Å²	54.7	1%	0.01	31%	0.306	C	S	.	.			trans	-119.3	4.9	-179.7	-61.7	-177	0	0	0	113.2	I429 I430 V432 V435 A439 A440 A445 A448	I429-L437 HydrophobicContact CG2-CD1 3.93Å; I430-L437 PolarHBondContact O-N 2.8Å; V432-L437 HydrophobicContact CB-CD1 4.1Å; V432-L437 HydrophobicContact CG2-CD1 3.56Å; V435-L437 HydrophobicContact CG1-CD2 4.21Å; L437-A439 PolarHBondContact O-N 3.34Å; L437-A440 HydrophobicContact CB-CB 4.16Å; L437-A440 HydrophobicContact CD2-CB 3.61Å; L437-A440 HydrophobicContact CG-CB 4.5Å; L437-A440 PolarHBondContact O-N 2.84Å; L437-A440 VanDerWaalsContact O-N 3.16Å; L437-A445 HydrophobicContact CD1-CB 4Å; L437-A445 HydrophobicContact CD2-CB 4.22Å; L437-A448 HydrophobicContact CD1-CB 4.46Å; L437-A448 HydrophobicContact CD2-CB 4.14Å
438	R	88.9	Confident	90	Very high	137 Å²	137	55.4 Å²	55.4	52%	0.517	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-32.5	-176.4	-76.5	168.9	171	-167.5	-0.7	114.7	R428 I430 D436	R428-R438 PolarHBondContact NH2-O 3.34Å; I430-R438 HydrophobicContact CG1-CG 4.38Å; I430-R438 HydrophobicContact CG2-CG 4.16Å; D436-R438 VanDerWaalsContact OD1-CB 3.26Å; D436-R438 WeakPolarHBondContact OD1-CB 3.04Å; D436-R438 WeakPolarHBondContact OD1-CD 2.82Å; D436-R438 WeakPolarHBondContact OD1-CG 3.5Å; D436-R438 PolarHBondContact OD1-N 2.9Å
439	A	85.8	Confident	89.9	Confident	91 Å²	91	53.6 Å²	53.6	75%	0.752	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.6	25	178.1	0	0	0	0	0	112.1	L437	L437-A439 PolarHBondContact O-N 3.34Å
440	A	86.6	Confident	89.5	Confident	11 Å²	11	60.6 Å²	60.6	9%	0.091	34%	0.337	C	S	.	.			trans	-80.7	150.4	176.6	0	0	0	0	0	111.2	L437 Q444	L437-A440 HydrophobicContact CB-CB 4.16Å; L437-A440 HydrophobicContact CD2-CB 3.61Å; L437-A440 HydrophobicContact CG-CB 4.5Å; L437-A440 PolarHBondContact O-N 2.84Å; L437-A440 VanDerWaalsContact O-N 3.16Å; A440-Q444 HydrophobicContact CB-CB 4.03Å
441	S	90.2	Very high	89.1	Confident	43 Å²	43	66.5 Å²	66.5	30%	0.301	37%	0.369	S	S	.	.			trans	-69.6	161.7	172.3	77.9	0	0	0	0	111.9	G400 E443 Q444 A445	G400-S441 WeakPolarHBondContact O-CA 3.37Å; S441-E443 PolarHBondContact O-N 3.15Å; S441-Q444 PolarHBondContact O-N 3.17Å; S441-Q444 VanDerWaalsContact O-N 3.12Å; S441-Q444 WeakPolarHBondContact OG-CG 3.47Å; S441-Q444 PolarHBondContact OG-N 3.11Å; S441-A445 PolarHBondContact O-N 3.18Å
442	H	88.3	Confident	88.5	Confident	86 Å²	86	66.1 Å²	66.1	40%	0.398	37%	0.367	S	S	.	.	H	α-helix	trans	-50.6	-45.2	174.5	-172.2	83.9	0	0	0	112.6	G399 G400 A445 A446	G399-H442 WeakPolarHBondContact O-CB 3.47Å; G399-H442 PolarHBondContact O-ND1 3.21Å; G399-H442 VanDerWaalsContact O-ND1 3.16Å; G400-H442 PolarHBondContact O-N 2.82Å; H442-A445 PolarHBondContact O-N 3.19Å; H442-A446 WeakPolarHBondContact O-CB 3.5Å; H442-A446 PolarHBondContact O-N 3.18Å
443	E	89.6	Confident	88	Confident	155 Å²	155	67.7 Å²	67.7	72%	0.724	38%	0.383	S	S	*	.	H	α-helix	trans	-66.5	-41.6	179.6	-175.1	175.5	-154.5	0	0	112.1	S441 A446 A447	S441-E443 PolarHBondContact O-N 3.15Å; E443-A446 PolarHBondContact O-N 3.05Å; E443-A447 VanDerWaalsContact O-CB 3.27Å; E443-A447 WeakPolarHBondContact O-CB 3.43Å; E443-A447 PolarHBondContact O-N 3.42Å
444	Q	89.6	Confident	87.9	Confident	116 Å²	116	70.7 Å²	70.7	54%	0.542	40%	0.395	S	S	.	.	H	α-helix	trans	-63.3	-42.1	176.7	-72.1	168.7	-12.3	0	0	111.7	A440 S441 A447 A448	A440-Q444 HydrophobicContact CB-CB 4.03Å; S441-Q444 PolarHBondContact O-N 3.17Å; S441-Q444 VanDerWaalsContact O-N 3.12Å; S441-Q444 WeakPolarHBondContact OG-CG 3.47Å; S441-Q444 PolarHBondContact OG-N 3.11Å; Q444-A447 PolarHBondContact O-N 2.79Å; Q444-A448 WeakPolarHBondContact O-CB 3.39Å; Q444-A448 PolarHBondContact O-N 3.12Å
445	A	90.3	Very high	88.2	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-65.5	-43.5	175.3	0	0	0	0	0	112.4	I397 I406 L437 S441 H442 A447 A448 L449	I397-A445 HydrophobicContact CD1-CB 3.87Å; I406-A445 HydrophobicContact CB-CB 4.48Å; I406-A445 HydrophobicContact CD1-CB 3.59Å; I406-A445 HydrophobicContact CG1-CB 3.71Å; I406-A445 HydrophobicContact CG2-CB 4.03Å; L437-A445 HydrophobicContact CD1-CB 4Å; L437-A445 HydrophobicContact CD2-CB 4.22Å; S441-A445 PolarHBondContact O-N 3.18Å; H442-A445 PolarHBondContact O-N 3.19Å; A445-A447 VanDerWaalsContact C-N 3.34Å; A445-A447 PolarHBondContact O-N 3.06Å; A445-A448 PolarHBondContact O-N 3.28Å; A445-L449 WeakPolarHBondContact O-CB 3Å; A445-L449 WeakPolarHBondContact O-CG 3.47Å; A445-L449 PolarHBondContact O-N 2.72Å
446	A	89.1	Confident	88.4	Confident	19 Å²	19	63.1 Å²	63.1	16%	0.157	35%	0.348	C	S	.	.	H	α-helix	trans	-63.7	-38.3	174.6	0	0	0	0	0	112.1	I397 H442 E443 K450	I397-A446 HydrophobicContact CD1-CB 4.44Å; H442-A446 WeakPolarHBondContact O-CB 3.5Å; H442-A446 PolarHBondContact O-N 3.18Å; E443-A446 PolarHBondContact O-N 3.05Å; A446-K450 WeakPolarHBondContact O-CB 3.24Å; A446-K450 WeakPolarHBondContact O-CD 3.26Å; A446-K450 WeakPolarHBondContact O-CG 3.42Å; A446-K450 PolarHBondContact O-N 3.21Å
447	A	88.7	Confident	88.5	Confident	40 Å²	40	60.3 Å²	60.3	33%	0.331	34%	0.335	S	S	.	.	H	α-helix	trans	-66.5	-44.5	175.4	0	0	0	0	0	111.7	E443 Q444 A445 K450 N451	E443-A447 VanDerWaalsContact O-CB 3.27Å; E443-A447 WeakPolarHBondContact O-CB 3.43Å; E443-A447 PolarHBondContact O-N 3.42Å; Q444-A447 PolarHBondContact O-N 2.79Å; A445-A447 VanDerWaalsContact C-N 3.34Å; A445-A447 PolarHBondContact O-N 3.06Å; A447-K450 PolarHBondContact O-N 2.89Å; A447-N451 VanDerWaalsContact O-CB 3.26Å; A447-N451 WeakPolarHBondContact O-CB 3.25Å; A447-N451 VanDerWaalsContact O-CG 3.22Å; A447-N451 PolarHBondContact O-N 2.93Å; A447-N451 PolarHBondContact O-ND2 2.73Å
448	A	90.4	Very high	88.6	Confident	16 Å²	16	60.2 Å²	60.2	13%	0.132	33%	0.334	C	S	.	.	H	α-helix	trans	-59.2	-49.2	174.7	0	0	0	0	0	111.5	V432 V435 L437 Q444 A445 K450 N451 A452	V432-A448 HydrophobicContact CB-CB 4.4Å; V432-A448 HydrophobicContact CG1-CB 4.47Å; V435-A448 HydrophobicContact CG1-CB 4.46Å; L437-A448 HydrophobicContact CD1-CB 4.46Å; L437-A448 HydrophobicContact CD2-CB 4.14Å; Q444-A448 WeakPolarHBondContact O-CB 3.39Å; Q444-A448 PolarHBondContact O-N 3.12Å; A445-A448 PolarHBondContact O-N 3.28Å; A448-K450 VanDerWaalsContact C-N 3.32Å; A448-K450 PolarHBondContact O-N 3.25Å; A448-N451 PolarHBondContact O-N 2.85Å; A448-A452 VanDerWaalsContact O-CB 3.27Å; A448-A452 WeakPolarHBondContact O-CB 3.4Å; A448-A452 PolarHBondContact O-N 2.96Å
449	L	90.9	Very high	88.9	Confident	17 Å²	17	55.1 Å²	55.1	9%	0.089	32%	0.319	C	S	.	.	H	α-helix	trans	-62.7	-34	178.2	-75	169.4	0	0	0	113.5	R388 L393 F395 I397 I429 V432 A445 V456 I458	R388-L449 PolarHBondContact NH2-O 2.9Å; L393-L449 HydrophobicContact CD1-CD2 3.96Å; F395-L449 HydrophobicContact CE2-CD1 4.06Å; F395-L449 HydrophobicContact CZ-CD1 4.12Å; F395-L449 HydrophobicContact CZ-CD2 3.78Å; I397-L449 HydrophobicContact CD1-CD1 4.09Å; I397-L449 HydrophobicContact CG2-CD1 3.93Å; I429-L449 HydrophobicContact CD1-CD1 4.37Å; V432-L449 HydrophobicContact CB-CD2 4.45Å; V432-L449 HydrophobicContact CG1-CD2 3.97Å; V432-L449 HydrophobicContact CG1-CG 4.48Å; V432-L449 HydrophobicContact CG2-CD2 3.59Å; V432-L449 HydrophobicContact CG2-CG 4.07Å; A445-L449 WeakPolarHBondContact O-CB 3Å; A445-L449 WeakPolarHBondContact O-CG 3.47Å; A445-L449 PolarHBondContact O-N 2.72Å; L449-V456 HydrophobicContact CD2-CG1 4.38Å; L449-I458 HydrophobicContact CD2-CD1 4.12Å
450	K	86.9	Confident	89.3	Confident	147 Å²	147	50.8 Å²	50.8	64%	0.639	28%	0.283	S	S	*	.	H	α-helix	trans	-73.5	-45.5	174.5	-73.4	167.7	-174.7	175.1	0	112	R388 A446 A447 A448 A452	R388-K450 PolarHBondContact NH1-O 2.84Å; R388-K450 PolarHBondContact NH2-O 2.93Å; A446-K450 WeakPolarHBondContact O-CB 3.24Å; A446-K450 WeakPolarHBondContact O-CD 3.26Å; A446-K450 WeakPolarHBondContact O-CG 3.42Å; A446-K450 PolarHBondContact O-N 3.21Å; A447-K450 PolarHBondContact O-N 2.89Å; A448-K450 VanDerWaalsContact C-N 3.32Å; A448-K450 PolarHBondContact O-N 3.25Å; K450-A452 VanDerWaalsContact C-N 3.35Å; K450-A452 PolarHBondContact O-N 3.15Å
451	N	84.9	Confident	89.6	Confident	137 Å²	137	51.7 Å²	51.7	73%	0.733	29%	0.285	S	S	*	.	H	α-helix	trans	-80.6	-12.2	-173.7	-64.7	-15.1	0	0	0	113.9	A447 A448 G453	A447-N451 VanDerWaalsContact O-CB 3.26Å; A447-N451 WeakPolarHBondContact O-CB 3.25Å; A447-N451 VanDerWaalsContact O-CG 3.22Å; A447-N451 PolarHBondContact O-N 2.93Å; A447-N451 PolarHBondContact O-ND2 2.73Å; A448-N451 PolarHBondContact O-N 2.85Å; N451-G453 PolarHBondContact O-N 3.43Å
452	A	81.9	Confident	89.7	Confident	14 Å²	14	52.5 Å²	52.5	12%	0.116	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	1.6	178.8	0	0	0	0	0	116.6	V432 N433 A448 K450 V456	V432-A452 HydrophobicContact CG1-CB 3.92Å; N433-A452 HydrophobicContact CB-CB 4.41Å; N433-A452 PolarHBondContact ND2-O 3.06Å; A448-A452 VanDerWaalsContact O-CB 3.27Å; A448-A452 WeakPolarHBondContact O-CB 3.4Å; A448-A452 PolarHBondContact O-N 2.96Å; K450-A452 VanDerWaalsContact C-N 3.35Å; K450-A452 PolarHBondContact O-N 3.15Å; A452-V456 HydrophobicContact CB-CB 4.22Å; A452-V456 HydrophobicContact CB-CG1 3.74Å; A452-V456 HydrophobicContact CB-CG2 3.66Å
453	G	82.7	Confident	89.8	Confident	34 Å²	34	52.1 Å²	52.1	35%	0.351	28%	0.277	S	S	.	.			trans	70.7	-154	174.3	0	0	0	0	0	114.7	R388 N451	R388-G453 PolarHBondContact NE-O 2.67Å; R388-G453 PolarHBondContact NH2-O 3.25Å; N451-G453 PolarHBondContact O-N 3.43Å
454	Q	86.1	Confident	89.5	Confident	122 Å²	122	46.2 Å²	46.2	57%	0.57	25%	0.252	S	S	*	.	S	Bend	trans	-80.6	-22.9	-169.9	-173.7	55	24.7	0	0	114.3	H387 R388	H387-Q454 WeakPolarHBondContact CA-O 3.09Å; R388-Q454 PolarHBondContact N-O 2.62Å; R388-Q454 PolarHBondContact O-NE2 3.02Å
455	A	88.9	Confident	89.3	Confident	43 Å²	43	44.9 Å²	44.9	36%	0.355	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	120	175.7	0	0	0	0	0	108.9	N433	N433-A455 PolarHBondContact ND2-O 3.14Å
456	V	93.3	Very high	89	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	105.9	-169.3	-174.6	0	0	0	0	108.9	L386 L393 V432 L449 A452 I458	L386-V456 PolarHBondContact N-O 3.04Å; L386-V456 PolarHBondContact O-N 3.37Å; L393-V456 HydrophobicContact CD1-CB 4.17Å; L393-V456 HydrophobicContact CD1-CG1 3.97Å; L393-V456 HydrophobicContact CD1-CG2 4.13Å; L393-V456 HydrophobicContact CD2-CB 4.02Å; L393-V456 HydrophobicContact CD2-CG2 3.8Å; V432-V456 HydrophobicContact CG1-CG1 3.8Å; L449-V456 HydrophobicContact CD2-CG1 4.38Å; A452-V456 HydrophobicContact CB-CB 4.22Å; A452-V456 HydrophobicContact CB-CG1 3.74Å; A452-V456 HydrophobicContact CB-CG2 3.66Å; V456-I458 HydrophobicContact CG1-CD1 4.23Å; V456-I458 HydrophobicContact CG1-CG1 3.87Å
457	T	92.9	Very high	88.9	Confident	37 Å²	37	46.5 Å²	46.5	23%	0.227	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	122.3	171.3	-60.3	0	0	0	0	108.9	K383 V384 V385 V432 N433	K383-T457 HydrophobicContact CD-CG2 4.17Å; K383-T457 HydrophobicContact CG-CG2 3.77Å; V384-T457 CarbonylContact O-C 3.54Å; V384-T457 WeakPolarHBondContact O-CA 3.16Å; V385-T457 HydrophobicContact CG2-CG2 4.46Å; V432-T457 CarbonylContact C-O 3.57Å; V432-T457 WeakPolarHBondContact CA-O 3.45Å; N433-T457 PolarHBondContact N-O 2.9Å; N433-T457 WeakPolarHBondContact OD1-CB 3.28Å; N433-T457 PolarHBondContact OD1-N 3.26Å
458	I	95.1	Very high	88.5	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	125	-179.6	-53.2	-179.2	0	0	0	108.3	K383 V384 L386 F395 L423 I429 S431 V432 L449 V456 A460	K383-I458 CarbonylContact C-O 3.47Å; V384-I458 PolarHBondContact N-O 2.83Å; V384-I458 PolarHBondContact O-N 2.81Å; L386-I458 HydrophobicContact CD1-CD1 4Å; F395-I458 HydrophobicContact CE1-CD1 3.65Å; F395-I458 HydrophobicContact CZ-CD1 3.57Å; L423-I458 HydrophobicContact CD1-CD1 4.22Å; I429-I458 HydrophobicContact CG1-CG2 4.44Å; I429-I458 HydrophobicContact CG2-CG2 3.93Å; S431-I458 WeakPolarHBondContact O-CA 3.44Å; V432-I458 HydrophobicContact CG2-CG1 4.42Å; V432-I458 HydrophobicContact CG2-CG2 4.45Å; L449-I458 HydrophobicContact CD2-CD1 4.12Å; V456-I458 HydrophobicContact CG1-CD1 4.23Å; V456-I458 HydrophobicContact CG1-CG1 3.87Å; I458-A460 HydrophobicContact CG2-CB 4.39Å
459	V	94.4	Very high	88.2	Confident	30 Å²	30	55 Å²	55	18%	0.182	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	120.7	164.6	-176.3	0	0	0	0	107.8	P381 R382 K383 I430 S431	P381-V459 HydrophobicContact CB-CG1 3.74Å; R382-V459 CarbonylContact O-C 3.58Å; R382-V459 WeakPolarHBondContact O-CA 3.32Å; K383-V459 HydrophobicContact CB-CG2 4.41Å; K383-V459 HydrophobicContact CG-CG2 4.32Å; I430-V459 HydrophobicContact CB-CB 4.32Å; I430-V459 HydrophobicContact CB-CG1 4.09Å; I430-V459 HydrophobicContact CG2-CB 4.36Å; I430-V459 HydrophobicContact CG2-CG1 4.07Å; I430-V459 PolarHBondContact N-O 3.05Å; S431-V459 PolarHBondContact N-O 3.43Å; S431-V459 PolarHBondContact O-N 3.05Å; S431-V459 WeakPolarHBondContact OG-CB 3.39Å; S431-V459 VanDerWaalsContact OG-CG2 3.3Å; S431-V459 WeakPolarHBondContact OG-CG2 3.39Å
460	A	94.1	Very high	87.7	Confident	0 Å²	0	55 Å²	55	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	147.5	-176.2	0	0	0	0	0	110.9	P381 R382 L423 D427 R428 I458	P381-A460 CarbonylContact C-O 3.59Å; P381-A460 WeakPolarHBondContact CA-O 3.09Å; R382-A460 PolarHBondContact N-O 3.27Å; R382-A460 PolarHBondContact O-N 2.88Å; L423-A460 HydrophobicContact CD2-CB 3.69Å; D427-A460 HydrophobicContact CB-CB 4.25Å; R428-A460 CarbonylContact O-C 3.49Å; R428-A460 WeakPolarHBondContact O-CA 3.49Å; I458-A460 HydrophobicContact CG2-CB 4.39Å
461	Q	93.6	Very high	87.4	Confident	29 Å²	29	51.8 Å²	51.8	14%	0.136	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	126.8	178.4	-174.5	177.7	30.6	0	0	109.8	R379 P381 D427 R428 I430 R463	R379-Q461 WeakPolarHBondContact O-CG 3.34Å; R379-Q461 PolarHBondContact O-NE2 2.7Å; P381-Q461 HydrophobicContact CB-CB 4.5Å; P381-Q461 HydrophobicContact CG-CB 4.43Å; P381-Q461 HydrophobicContact CG-CG 4.42Å; D427-Q461 WeakPolarHBondContact CA-O 3.41Å; R428-Q461 PolarHBondContact N-O 3.43Å; R428-Q461 PolarHBondContact O-N 3.35Å; I430-Q461 HydrophobicContact CD1-CB 3.66Å; Q461-R463 VanDerWaalsContact CD-NE 3.35Å; Q461-R463 HydrophobicContact CG-CG 4.24Å; Q461-R463 PolarHBondContact O-N 3.05Å
462	Y	92.6	Very high	86.9	Confident	61 Å²	61	47.4 Å²	47.4	24%	0.239	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	118.4	-179.7	-170.4	-126.7	0	0	0	110.2	K425 D427 P464	K425-Y462 WeakPolarHBondContact O-CE2 3.45Å; D427-Y462 VanDerWaalsContact OD1-CA 3.25Å; D427-Y462 WeakPolarHBondContact OD1-CA 3.44Å; D427-Y462 WeakPolarHBondContact OD1-CB 3.15Å; D427-Y462 PolarHBondContact OD1-N 2.91Å; Y462-P464 HydrophobicContact CD1-CG 4.13Å; Y462-P464 HydrophobicContact CE1-CB 4.32Å; Y462-P464 HydrophobicContact CE1-CG 3.64Å; Y462-P464 HydrophobicContact CE2-CB 4.38Å; Y462-P464 HydrophobicContact CE2-CG 4.43Å
463	R	89.9	Confident	86.7	Confident	78 Å²	78	50.7 Å²	50.7	29%	0.294	26%	0.262	S	S	.	.			trans	-137	58.8	-173.9	-71.1	-63	-175	138.6	-14.9	111.6	F407 G426 R428 Q461 E465 E466 Y467	F407-R463 HydrophobicContact CE1-CB 4.21Å; G426-R463 CarbonylContact O-C 3.46Å; G426-R463 PolarHBondContact O-N 2.99Å; R428-R463 HydrophobicContact CB-CB 4.33Å; R428-R463 HydrophobicContact CB-CG 4.21Å; Q461-R463 VanDerWaalsContact CD-NE 3.35Å; Q461-R463 HydrophobicContact CG-CG 4.24Å; Q461-R463 PolarHBondContact O-N 3.05Å; R463-E465 VanDerWaalsContact C-N 3.25Å; R463-E465 PolarHBondContact O-N 2.96Å; R463-E466 HydrophobicContact CB-CB 4.18Å; R463-E466 VanDerWaalsContact CD-OE1 3.32Å; R463-E466 WeakPolarHBondContact CD-OE1 3.49Å; R463-E466 IonicContact CZ-OE1 3.83Å; R463-E466 IonicContact NE-OE1 3.05Å; R463-E466 IonicContact NH1-OE1 2.59Å; R463-E466 PolarHBondContact NH1-OE1 2.68Å; R463-E466 PolarHBondContact O-N 2.96Å; R463-E466 VanDerWaalsContact O-N 3.13Å; R463-Y467 WeakPolarHBondContact O-CB 3.42Å; R463-Y467 PolarHBondContact O-N 2.97Å
464	P	82.4	Confident	86	Confident	31 Å²	31	52.3 Å²	52.3	20%	0.201	26%	0.261	C	S	.	.	H	α-helix	trans	-59.5	-33.7	-175.7	26.1	-34.5	0	0	0	112.7	Y462 Y467 S468	Y462-P464 HydrophobicContact CD1-CG 4.13Å; Y462-P464 HydrophobicContact CE1-CB 4.32Å; Y462-P464 HydrophobicContact CE1-CG 3.64Å; Y462-P464 HydrophobicContact CE2-CB 4.38Å; Y462-P464 HydrophobicContact CE2-CG 4.43Å; P464-Y467 PolarHBondContact O-N 3.14Å; P464-S468 WeakPolarHBondContact O-CB 3.45Å; P464-S468 PolarHBondContact O-N 3.24Å; P464-S468 PolarHBondContact O-OG 3.29Å; P464-S468 VanDerWaalsContact O-OG 3.09Å
465	E	85.8	Confident	85.2	Confident	88 Å²	88	52 Å²	52	41%	0.411	26%	0.259	S	S	.	.	H	α-helix	trans	-79.5	-17	-179.3	-46.4	93.1	149	0	0	114	R379 R463 R469	R379-E465 IonicContact CZ-OE1 3.04Å; R379-E465 VanDerWaalsContact NH1-CD 3.32Å; R379-E465 IonicContact NH1-OE1 2.73Å; R379-E465 PolarHBondContact NH1-OE1 3.23Å; R379-E465 IonicContact NH1-OE2 2.72Å; R379-E465 PolarHBondContact NH1-OE2 2.97Å; R379-E465 IonicContact NH2-OE1 3.37Å; R379-E465 PolarHBondContact NH2-OE1 2.79Å; R463-E465 VanDerWaalsContact C-N 3.25Å; R463-E465 PolarHBondContact O-N 2.96Å; E465-R469 PolarHBondContact O-NE 3.09Å; E465-R469 PolarHBondContact O-NH2 3.4Å
466	E	85.3	Confident	84.3	Confident	40 Å²	40	54 Å²	54	19%	0.187	26%	0.264	C	S	.	.	H	α-helix	trans	-80.9	-46.4	164.3	-72.3	167.4	-136.4	0	0	109.5	F407 R428 R463 S468 R469 F470	F407-E466 HydrophobicContact CE1-CB 3.92Å; F407-E466 HydrophobicContact CZ-CB 3.79Å; R428-E466 IonicContact CZ-OE2 2.66Å; R428-E466 IonicContact NH1-OE2 2.98Å; R428-E466 PolarHBondContact NH1-OE2 2.66Å; R463-E466 HydrophobicContact CB-CB 4.18Å; R463-E466 VanDerWaalsContact CD-OE1 3.32Å; R463-E466 WeakPolarHBondContact CD-OE1 3.49Å; R463-E466 IonicContact CZ-OE1 3.83Å; R463-E466 IonicContact NE-OE1 3.05Å; R463-E466 IonicContact NH1-OE1 2.59Å; R463-E466 PolarHBondContact NH1-OE1 2.68Å; R463-E466 PolarHBondContact O-N 2.96Å; R463-E466 VanDerWaalsContact O-N 3.13Å; E466-S468 PolarHBondContact O-N 3.44Å; E466-R469 PolarHBondContact O-N 2.98Å; E466-R469 VanDerWaalsContact O-N 3.15Å; E466-F470 PolarHBondContact O-N 2.82Å
467	Y	86.4	Confident	83.1	Confident	12 Å²	12	58.3 Å²	58.3	5%	0.047	29%	0.287	C	S	.	.	H	α-helix	trans	-61.2	-43.8	-177.7	-176.4	-100.9	0	0	0	113.4	V398 F407 S409 K425 R463 P464 R469 F470 E471	V398-Y467 HydrophobicContact CG2-CE2 3.86Å; F407-Y467 HydrophobicContact CB-CD2 3.42Å; F407-Y467 VanDerWaalsContact CB-CD2 3.42Å; F407-Y467 HydrophobicContact CB-CE2 3.77Å; F407-Y467 AromaticContact CD1-CD2 3.96Å; F407-Y467 HydrophobicContact CD1-CD2 3.96Å; F407-Y467 HydrophobicContact CD1-CG 4.49Å; F407-Y467 HydrophobicContact CD2-CD2 4.32Å; F407-Y467 AromaticContact CG-CD2 3.68Å; F407-Y467 HydrophobicContact CG-CD2 3.68Å; F407-Y467 HydrophobicContact CG-CE2 4.45Å; S409-Y467 WeakPolarHBondContact CA-OH 3.36Å; S409-Y467 WeakPolarHBondContact CB-OH 3.39Å; K425-Y467 HydrophobicContact CD-CE1 4.21Å; K425-Y467 VanDerWaalsContact CE-CE1 3.44Å; K425-Y467 VanDerWaalsContact CE-OH 3.24Å; K425-Y467 WeakPolarHBondContact CE-OH 3.32Å; K425-Y467 HydrophobicContact CG-CE1 4.06Å; R463-Y467 WeakPolarHBondContact O-CB 3.42Å; R463-Y467 PolarHBondContact O-N 2.97Å; P464-Y467 PolarHBondContact O-N 3.14Å; Y467-R469 VanDerWaalsContact C-N 3.3Å; Y467-R469 PolarHBondContact O-N 3.07Å; Y467-F470 WeakPolarHBondContact O-CB 3.39Å; Y467-F470 PolarHBondContact O-N 3.18Å; Y467-F470 VanDerWaalsContact O-N 3.14Å; Y467-E471 HydrophobicContact CD1-CG 4.3Å; Y467-E471 HydrophobicContact CE1-CG 3.64Å; Y467-E471 VanDerWaalsContact CE1-OE1 3.25Å; Y467-E471 WeakPolarHBondContact CE1-OE1 3.24Å; Y467-E471 VanDerWaalsContact CE1-OE2 3.24Å; Y467-E471 WeakPolarHBondContact CE1-OE2 3.44Å; Y467-E471 HydrophobicContact CE2-CG 4.38Å; Y467-E471 VanDerWaalsContact CZ-CD 3.47Å; Y467-E471 VanDerWaalsContact CZ-OE1 3.25Å; Y467-E471 PolarHBondContact O-N 2.93Å; Y467-E471 VanDerWaalsContact OH-CD 3.28Å; Y467-E471 PolarHBondContact OH-OE1 3.32Å
468	S	80.9	Confident	81.5	Confident	70 Å²	70	64.9 Å²	64.9	49%	0.49	31%	0.308	S	S	.	.	H	α-helix	trans	-66.6	-30.1	176.4	-61.7	0	0	0	0	113	P464 E466 A472	P464-S468 WeakPolarHBondContact O-CB 3.45Å; P464-S468 PolarHBondContact O-N 3.24Å; P464-S468 PolarHBondContact O-OG 3.29Å; P464-S468 VanDerWaalsContact O-OG 3.09Å; E466-S468 PolarHBondContact O-N 3.44Å; S468-A472 WeakPolarHBondContact O-CB 3.37Å; S468-A472 PolarHBondContact O-N 2.85Å
469	R	83.2	Confident	79.8	Confident	165 Å²	165	69.2 Å²	69.2	62%	0.623	33%	0.328	S	S	*	.	H	α-helix	trans	-72	-34.6	171.9	-77.8	-176.7	-69.8	146	1.4	111.6	E465 E466 Y467 K473	E465-R469 PolarHBondContact O-NE 3.09Å; E465-R469 PolarHBondContact O-NH2 3.4Å; E466-R469 PolarHBondContact O-N 2.98Å; E466-R469 VanDerWaalsContact O-N 3.15Å; Y467-R469 VanDerWaalsContact C-N 3.3Å; Y467-R469 PolarHBondContact O-N 3.07Å; R469-K473 WeakPolarHBondContact O-CB 3.41Å; R469-K473 PolarHBondContact O-N 3.14Å
470	F	81.5	Confident	78	Confident	18 Å²	18	73.9 Å²	73.9	8%	0.079	35%	0.348	C	S	.	.	H	α-helix	trans	-66.5	-46.8	172	177.4	-93.6	0	0	0	111.8	V398 G399 E404 E466 Y467 A472 K473 I474	V398-F470 HydrophobicContact CB-CE1 3.98Å; V398-F470 HydrophobicContact CB-CZ 4.49Å; V398-F470 HydrophobicContact CG2-CD1 4.26Å; V398-F470 HydrophobicContact CG2-CE1 3.7Å; G399-F470 VanDerWaalsContact CA-CZ 3.49Å; E404-F470 HydrophobicContact CB-CD2 4.01Å; E404-F470 HydrophobicContact CB-CE2 4.03Å; E404-F470 HydrophobicContact CG-CD2 3.99Å; E404-F470 HydrophobicContact CG-CE2 4.14Å; E466-F470 PolarHBondContact O-N 2.82Å; Y467-F470 WeakPolarHBondContact O-CB 3.39Å; Y467-F470 PolarHBondContact O-N 3.18Å; Y467-F470 VanDerWaalsContact O-N 3.14Å; F470-A472 VanDerWaalsContact C-N 3.3Å; F470-A472 PolarHBondContact O-N 3.1Å; F470-K473 PolarHBondContact O-N 2.71Å; F470-I474 HydrophobicContact CD1-CG1 4.33Å; F470-I474 HydrophobicContact CD2-CG1 4.43Å; F470-I474 HydrophobicContact CE1-CG1 3.85Å; F470-I474 HydrophobicContact CE2-CD1 4.11Å; F470-I474 HydrophobicContact CE2-CG1 3.96Å; F470-I474 HydrophobicContact CZ-CD1 3.93Å; F470-I474 HydrophobicContact CZ-CG1 3.63Å; F470-I474 WeakPolarHBondContact O-CG1 3.33Å; F470-I474 PolarHBondContact O-N 3.27Å
471	E	79.8	Confident	76	Confident	78 Å²	78	80.5 Å²	80.5	36%	0.364	38%	0.38	S	S	.	.	H	α-helix	trans	-58.4	-41.1	174.5	-74.3	-167.5	142.5	0	0	111.6	K425 Y467 H475	K425-E471 WeakPolarHBondContact CE-OE1 3.46Å; K425-E471 VanDerWaalsContact NZ-CD 3.32Å; K425-E471 IonicContact NZ-OE1 3.91Å; K425-E471 PolarHBondContact NZ-OE1 3.17Å; K425-E471 IonicContact NZ-OE2 2.67Å; K425-E471 PolarHBondContact NZ-OE2 3.01Å; K425-E471 VanDerWaalsContact NZ-OE2 3.07Å; Y467-E471 HydrophobicContact CD1-CG 4.3Å; Y467-E471 HydrophobicContact CE1-CG 3.64Å; Y467-E471 VanDerWaalsContact CE1-OE1 3.25Å; Y467-E471 WeakPolarHBondContact CE1-OE1 3.24Å; Y467-E471 VanDerWaalsContact CE1-OE2 3.24Å; Y467-E471 WeakPolarHBondContact CE1-OE2 3.44Å; Y467-E471 HydrophobicContact CE2-CG 4.38Å; Y467-E471 VanDerWaalsContact CZ-CD 3.47Å; Y467-E471 VanDerWaalsContact CZ-OE1 3.25Å; Y467-E471 PolarHBondContact O-N 2.93Å; Y467-E471 VanDerWaalsContact OH-CD 3.28Å; Y467-E471 PolarHBondContact OH-OE1 3.32Å; E471-H475 PolarHBondContact O-N 2.95Å
472	A	75.1	Confident	74	Confident	45 Å²	45	85.5 Å²	85.5	37%	0.372	41%	0.405	S	S	.	.	H	α-helix	trans	-64.2	-49.1	174.1	0	0	0	0	0	112.9	S468 F470 I474 H475 D476	S468-A472 WeakPolarHBondContact O-CB 3.37Å; S468-A472 PolarHBondContact O-N 2.85Å; F470-A472 VanDerWaalsContact C-N 3.3Å; F470-A472 PolarHBondContact O-N 3.1Å; A472-I474 VanDerWaalsContact C-N 3.27Å; A472-I474 PolarHBondContact O-N 3.06Å; A472-H475 WeakPolarHBondContact O-CA 3.22Å; A472-H475 WeakPolarHBondContact O-CB 3.33Å; A472-H475 PolarHBondContact O-N 2.99Å; A472-D476 PolarHBondContact O-N 3.07Å
473	K	77.1	Confident	72	Confident	84 Å²	84	87.5 Å²	87.5	37%	0.365	42%	0.42	S	S	.	.	H	α-helix	trans	-56.7	-40	178.2	-178.8	-176.6	170	-175.4	0	112.3	E404 R469 F470 L477	E404-K473 WeakPolarHBondContact OE1-CD 3.41Å; E404-K473 IonicContact OE1-NZ 2.68Å; E404-K473 PolarHBondContact OE1-NZ 2.9Å; R469-K473 WeakPolarHBondContact O-CB 3.41Å; R469-K473 PolarHBondContact O-N 3.14Å; F470-K473 PolarHBondContact O-N 2.71Å; K473-L477 WeakPolarHBondContact O-CB 3.34Å; K473-L477 PolarHBondContact O-N 3.39Å; K473-L477 VanDerWaalsContact O-N 3.08Å
474	I	68.4	Low	69.6	Low	67 Å²	67	88.7 Å²	88.7	34%	0.344	44%	0.44	S	S	.	.	H	α-helix	trans	-71.2	-34.6	176.4	-65.5	-64.7	0	0	0	111.7	F470 A472 R478	F470-I474 HydrophobicContact CD1-CG1 4.33Å; F470-I474 HydrophobicContact CD2-CG1 4.43Å; F470-I474 HydrophobicContact CE1-CG1 3.85Å; F470-I474 HydrophobicContact CE2-CD1 4.11Å; F470-I474 HydrophobicContact CE2-CG1 3.96Å; F470-I474 HydrophobicContact CZ-CD1 3.93Å; F470-I474 HydrophobicContact CZ-CG1 3.63Å; F470-I474 WeakPolarHBondContact O-CG1 3.33Å; F470-I474 PolarHBondContact O-N 3.27Å; A472-I474 VanDerWaalsContact C-N 3.27Å; A472-I474 PolarHBondContact O-N 3.06Å; I474-R478 VanDerWaalsContact O-CB 3.27Å; I474-R478 WeakPolarHBondContact O-CB 3.47Å; I474-R478 PolarHBondContact O-N 3.44Å; I474-R478 VanDerWaalsContact O-N 3.17Å
475	H	68	Low	67.3	Low	115 Å²	115	91.3 Å²	91.3	53%	0.532	46%	0.46	S	S	.	.	H	α-helix	trans	-64.2	-53.5	172.2	-167.6	-75.1	0	0	0	111.1	E471 A472 L477 R478 E479	E471-H475 PolarHBondContact O-N 2.95Å; A472-H475 WeakPolarHBondContact O-CA 3.22Å; A472-H475 WeakPolarHBondContact O-CB 3.33Å; A472-H475 PolarHBondContact O-N 2.99Å; H475-L477 VanDerWaalsContact C-N 3.33Å; H475-L477 PolarHBondContact O-N 2.99Å; H475-R478 WeakPolarHBondContact O-CB 3.25Å; H475-R478 PolarHBondContact O-N 2.81Å; H475-R478 VanDerWaalsContact O-N 3.12Å; H475-E479 IonicContact CE1-OE2 3.78Å; H475-E479 PolarHBondContact CE1-OE2 2.77Å; H475-E479 VanDerWaalsContact CE1-OE2 3.22Å; H475-E479 IonicContact ND1-OE2 3.62Å; H475-E479 PolarHBondContact ND1-OE2 3.14Å; H475-E479 WeakPolarHBondContact O-CB 3.27Å; H475-E479 PolarHBondContact O-N 3.36Å
476	D	70.6	Confident	65	Low	86 Å²	86	95.4 Å²	95.4	46%	0.46	48%	0.482	S	S	.	.	H	α-helix	trans	-57.4	-43	-179	-67.1	-8.7	0	0	0	111.9	A472 E479 Q480	A472-D476 PolarHBondContact O-N 3.07Å; D476-E479 PolarHBondContact O-N 2.97Å; D476-Q480 WeakPolarHBondContact O-CB 3.5Å; D476-Q480 VanDerWaalsContact O-CG 3.25Å; D476-Q480 WeakPolarHBondContact O-CG 3.35Å; D476-Q480 PolarHBondContact O-N 3.3Å
477	L	67.4	Low	62.4	Low	91 Å²	91	99 Å²	99	48%	0.476	51%	0.512	S	S	.	.	H	α-helix	trans	-66.1	-41.5	177.7	-178.1	61.7	0	0	0	111.8	K473 H475 E479 Q480 M481	K473-L477 WeakPolarHBondContact O-CB 3.34Å; K473-L477 PolarHBondContact O-N 3.39Å; K473-L477 VanDerWaalsContact O-N 3.08Å; H475-L477 VanDerWaalsContact C-N 3.33Å; H475-L477 PolarHBondContact O-N 2.99Å; L477-E479 VanDerWaalsContact C-N 3.32Å; L477-E479 PolarHBondContact O-N 3.16Å; L477-Q480 PolarHBondContact O-N 2.92Å; L477-M481 WeakPolarHBondContact O-CG 3.45Å; L477-M481 PolarHBondContact O-N 3.25Å
478	R	60.8	Low	60.1	Low	175 Å²	175	104.4 Å²	104.4	66%	0.66	55%	0.551	S	S	*	*	H	α-helix	trans	-64.9	-38.4	177.1	-170	178.6	-165.7	167.6	4.1	111.6	I474 H475 M481 M482	I474-R478 VanDerWaalsContact O-CB 3.27Å; I474-R478 WeakPolarHBondContact O-CB 3.47Å; I474-R478 PolarHBondContact O-N 3.44Å; I474-R478 VanDerWaalsContact O-N 3.17Å; H475-R478 WeakPolarHBondContact O-CB 3.25Å; H475-R478 PolarHBondContact O-N 2.81Å; H475-R478 VanDerWaalsContact O-N 3.12Å; R478-M481 PolarHBondContact O-N 2.92Å; R478-M482 HydrophobicContact CG-CE 4.2Å; R478-M482 WeakPolarHBondContact O-CG 3.39Å; R478-M482 PolarHBondContact O-N 3.34Å
479	E	58.6	Low	57.7	Low	91 Å²	91	105 Å²	105	43%	0.425	57%	0.569	S	S	.	*	H	α-helix	trans	-69.7	-40.4	175.9	-171.3	168.3	170	0	0	111.6	H475 D476 L477 M481 M482 N483	H475-E479 IonicContact CE1-OE2 3.78Å; H475-E479 PolarHBondContact CE1-OE2 2.77Å; H475-E479 VanDerWaalsContact CE1-OE2 3.22Å; H475-E479 IonicContact ND1-OE2 3.62Å; H475-E479 PolarHBondContact ND1-OE2 3.14Å; H475-E479 WeakPolarHBondContact O-CB 3.27Å; H475-E479 PolarHBondContact O-N 3.36Å; D476-E479 PolarHBondContact O-N 2.97Å; L477-E479 VanDerWaalsContact C-N 3.32Å; L477-E479 PolarHBondContact O-N 3.16Å; E479-M481 VanDerWaalsContact C-N 3.34Å; E479-M481 PolarHBondContact O-N 2.91Å; E479-M482 PolarHBondContact O-N 2.81Å; E479-M482 VanDerWaalsContact O-N 3.15Å; E479-N483 WeakPolarHBondContact O-CB 3.42Å; E479-N483 PolarHBondContact O-N 2.88Å; E479-N483 PolarHBondContact O-ND2 3.37Å
480	Q	57.4	Low	55.5	Low	127 Å²	127	103.4 Å²	103.4	59%	0.593	58%	0.583	S	S	*	*	H	α-helix	trans	-61.5	-38	172.2	-75.8	171.5	39.1	0	0	112.9	D476 L477 M482 N483 S484	D476-Q480 WeakPolarHBondContact O-CB 3.5Å; D476-Q480 VanDerWaalsContact O-CG 3.25Å; D476-Q480 WeakPolarHBondContact O-CG 3.35Å; D476-Q480 PolarHBondContact O-N 3.3Å; L477-Q480 PolarHBondContact O-N 2.92Å; Q480-M482 VanDerWaalsContact C-N 3.32Å; Q480-M482 PolarHBondContact O-N 2.91Å; Q480-N483 PolarHBondContact O-N 3.01Å; Q480-S484 PolarHBondContact O-N 3.07Å
481	M	51.4	Low	53	Low	140 Å²	140	105.8 Å²	105.8	69%	0.69	61%	0.612	S	S	*	*	H	α-helix	trans	-65.1	-35.7	174.5	-69.3	-172.8	81.7	0	0	112.1	L477 R478 E479 S484	L477-M481 WeakPolarHBondContact O-CG 3.45Å; L477-M481 PolarHBondContact O-N 3.25Å; R478-M481 PolarHBondContact O-N 2.92Å; E479-M481 VanDerWaalsContact C-N 3.34Å; E479-M481 PolarHBondContact O-N 2.91Å; M481-S484 PolarHBondContact O-OG 2.66Å
482	M	52.3	Low	50.4	Low	133 Å²	133	107.8 Å²	107.8	66%	0.655	64%	0.635	S	S	*	*	H	α-helix	trans	-73.6	-36.6	175.7	-67.3	178.3	-178	0	0	112.7	R478 E479 Q480 S484	R478-M482 HydrophobicContact CG-CE 4.2Å; R478-M482 WeakPolarHBondContact O-CG 3.39Å; R478-M482 PolarHBondContact O-N 3.34Å; E479-M482 PolarHBondContact O-N 2.81Å; E479-M482 VanDerWaalsContact O-N 3.15Å; Q480-M482 VanDerWaalsContact C-N 3.32Å; Q480-M482 PolarHBondContact O-N 2.91Å; M482-S484 VanDerWaalsContact C-N 3.27Å; M482-S484 PolarHBondContact O-N 2.67Å
483	N	50.2	Low	48.4	Very low	103 Å²	103	113.9 Å²	113.9	55%	0.551	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.2	11.8	-178.8	-66.2	-20.3	0	0	0	113.9	E479 Q480 S485	E479-N483 WeakPolarHBondContact O-CB 3.42Å; E479-N483 PolarHBondContact O-N 2.88Å; E479-N483 PolarHBondContact O-ND2 3.37Å; Q480-N483 PolarHBondContact O-N 3.01Å; N483-S485 PolarHBondContact O-N 3.34Å
484	S	39.9	Very low	46	Very low	103 Å²	103	120.5 Å²	120.5	72%	0.72	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.2	-5.3	-179.8	62.7	0	0	0	0	114.4	Q480 M481 M482	Q480-S484 PolarHBondContact O-N 3.07Å; M481-S484 PolarHBondContact O-OG 2.66Å; M482-S484 VanDerWaalsContact C-N 3.27Å; M482-S484 PolarHBondContact O-N 2.67Å
485	S	33.4	Very low	44.2	Very low	87 Å²	87	123.1 Å²	123.1	61%	0.608	70%	0.703	S	S	*	*	S	Bend	trans	-105.1	137	163.6	65.9	0	0	0	0	110.5	N483	N483-S485 PolarHBondContact O-N 3.34Å
486	I	38	Very low	42.7	Very low	173 Å²	173	123 Å²	123	89%	0.887	71%	0.714	S	S	*	*	S	Bend	trans	72.5	89.7	-175.7	-42.5	163.3	0	0	0	113.5
487	S	30	Very low	41	Very low	115 Å²	115	126.7 Å²	126.7	80%	0.804	73%	0.729	S	S	*	*			trans	-118.2	121.9	173.9	179.1	0	0	0	0	112.1
488	S	38	Very low	40.2	Very low	126 Å²	126	127 Å²	127	88%	0.881	73%	0.726	S	S	*	*			trans	171.1	109.9	144.5	-79.9	0	0	0	0	110.7
489	G	30.8	Very low	40.1	Very low	83 Å²	83	127.3 Å²	127.3	86%	0.856	73%	0.728	S	S	*	*			trans	161.5	56.6	176	0	0	0	0	0	117.2
490	S	36.1	Very low	40.9	Very low	132 Å²	132	125.9 Å²	125.9	92%	0.923	73%	0.727	S	S	*	*			trans	-80	144.4	169.1	-173.1	0	0	0	0	110.7
491	G	28.9	Very low	42.5	Very low	67 Å²	67	122.2 Å²	122.2	69%	0.691	71%	0.712	S	S	*	*			cis	164.3	147.5	-5	0	0	0	0	0	111.3
492	S	26.2	Very low	44.5	Very low	120 Å²	120	118.9 Å²	118.9	84%	0.839	69%	0.692	S	S	*	*			trans	-164.7	143.4	170.1	-172.4	0	0	0	0	110.8	R494	S492-R494 PolarHBondContact O-N 2.93Å
493	L	32.7	Very low	46.6	Very low	173 Å²	173	112.5 Å²	112.5	91%	0.906	66%	0.661	S	S	*	*			trans	-68	115.1	175.8	-89.1	70.6	0	0	0	110.5
494	R	27.6	Very low	48.7	Very low	224 Å²	224	108.6 Å²	108.6	85%	0.845	64%	0.638	S	S	*	*			trans	-126.8	145.2	144.5	-71.6	-168.3	172.4	-174.6	-2.3	108.7	S492	S492-R494 PolarHBondContact O-N 2.93Å
495	T	29.3	Very low	51.4	Low	122 Å²	122	103.7 Å²	103.7	75%	0.748	60%	0.604	S	S	*	*			trans	-52.3	145.7	173.1	42.6	0	0	0	0	109.9	Q497	T495-Q497 PolarHBondContact O-N 3.12Å
496	S	37.8	Very low	54.4	Low	111 Å²	111	99.6 Å²	99.6	78%	0.776	58%	0.575	S	S	*	*			trans	-67.5	87.5	174.1	-171.2	0	0	0	0	109.6	K498	S496-K498 PolarHBondContact O-N 3.32Å
497	Q	35.1	Very low	57	Low	165 Å²	165	93.3 Å²	93.3	77%	0.771	54%	0.541	S	S	*	.			trans	-62.1	93.6	155	-65.7	-175	-80.4	0	0	105.1	T495 R499	T495-Q497 PolarHBondContact O-N 3.12Å; Q497-R499 PolarHBondContact O-N 3.39Å
498	K	49.4	Very low	60.1	Low	97 Å²	97	92.1 Å²	92.1	42%	0.422	53%	0.526	S	S	.	.			trans	-45.6	131.1	-179.3	-60.2	168.5	-171.5	172	0	107.7	S496 S500 N534 S536	S496-K498 PolarHBondContact O-N 3.32Å; K498-S500 VanDerWaalsContact C-N 3.34Å; K498-S500 PolarHBondContact O-N 3.08Å; K498-N534 VanDerWaalsContact CD-OD1 3.23Å; K498-N534 WeakPolarHBondContact CD-OD1 3.3Å; K498-N534 VanDerWaalsContact NZ-CG 3.35Å; K498-N534 PolarHBondContact NZ-ND2 3.38Å; K498-N534 PolarHBondContact NZ-OD1 3.23Å; K498-S536 VanDerWaalsContact NZ-CB 3.35Å; K498-S536 PolarHBondContact NZ-OG 3.03Å
499	R	58.7	Low	62.7	Low	182 Å²	182	87 Å²	87	69%	0.687	49%	0.488	S	S	*	.			trans	-57.3	103.4	170.4	-73.9	-175.6	177.1	-166.7	-1.2	107	Q497 E831	Q497-R499 PolarHBondContact O-N 3.39Å; R499-E831 IonicContact CZ-OE1 2.88Å; R499-E831 IonicContact NH1-OE1 2.88Å; R499-E831 PolarHBondContact NH1-OE1 2.71Å; R499-E831 IonicContact NH1-OE2 3.18Å; R499-E831 PolarHBondContact NH1-OE2 3.43Å
500	S	76.7	Confident	65.6	Low	60 Å²	60	85.2 Å²	85.2	42%	0.42	46%	0.459	S	S	.	.			trans	-69.6	140.3	165	71.6	0	0	0	0	107	K498 H531 V532	K498-S500 VanDerWaalsContact C-N 3.34Å; K498-S500 PolarHBondContact O-N 3.08Å; S500-H531 WeakPolarHBondContact CB-NE2 3.37Å; S500-H531 PolarHBondContact OG-NE2 3.22Å; S500-V532 VanDerWaalsContact CA-O 3.23Å; S500-V532 WeakPolarHBondContact CA-O 3.38Å; S500-V532 WeakPolarHBondContact CB-O 3.49Å
501	L	90.4	Very high	68.1	Low	51 Å²	51	82.2 Å²	82.2	27%	0.267	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	147.9	-164.1	63.7	89.2	0	0	0	109.8	V503 V532 L833	L501-V503 HydrophobicContact CD1-CG1 3.4Å; L501-V532 HydrophobicContact CD1-CB 4.22Å; L501-V532 HydrophobicContact CD1-CG2 4.33Å; L501-V532 HydrophobicContact CG-CB 4.32Å; L501-V532 PolarHBondContact N-O 3.06Å; L501-V532 VanDerWaalsContact N-O 3.11Å; L501-V532 PolarHBondContact O-N 3.15Å; L501-L833 HydrophobicContact CD1-CD2 3.58Å; L501-L833 HydrophobicContact CD2-CD2 4.2Å
502	Y	94	Very high	70.9	Confident	69 Å²	69	84.5 Å²	84.5	27%	0.271	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	134.4	179.1	-58.8	-89.9	0	0	0	109.3	L530 H531 V546 V635 W826	Y502-L530 WeakPolarHBondContact CA-O 3.44Å; Y502-H531 HydrophobicContact CD1-CB 3.79Å; Y502-H531 HydrophobicContact CE1-CB 3.61Å; Y502-H531 AromaticContact CE1-CG 3.59Å; Y502-H531 AromaticContact CE1-ND1 3.71Å; Y502-H531 AromaticContact CZ-CE1 3.97Å; Y502-H531 AromaticContact CZ-CG 3.98Å; Y502-H531 AromaticContact CZ-ND1 3.81Å; Y502-V546 HydrophobicContact CD1-CG2 4.12Å; Y502-V546 HydrophobicContact CE1-CG2 4.07Å; Y502-V635 PolarHBondContact O-N 3.33Å; Y502-W826 AromaticContact CD1-CH2 3.47Å; Y502-W826 HydrophobicContact CD1-CH2 3.47Å; Y502-W826 VanDerWaalsContact CD1-CH2 3.47Å; Y502-W826 HydrophobicContact CD1-CZ2 4.38Å; Y502-W826 AromaticContact CD1-CZ3 3.8Å; Y502-W826 HydrophobicContact CD1-CZ3 3.8Å; Y502-W826 HydrophobicContact CD2-CH2 4.08Å; Y502-W826 AromaticContact CD2-CZ3 3.88Å; Y502-W826 HydrophobicContact CD2-CZ3 3.88Å; Y502-W826 AromaticContact CE1-CH2 3.8Å; Y502-W826 HydrophobicContact CE1-CH2 3.8Å; Y502-W826 HydrophobicContact CE1-CZ3 4.48Å; Y502-W826 HydrophobicContact CE2-CH2 4.38Å; Y502-W826 AromaticContact CG-CH2 3.62Å; Y502-W826 HydrophobicContact CG-CH2 3.62Å; Y502-W826 AromaticContact CG-CZ3 3.45Å; Y502-W826 HydrophobicContact CG-CZ3 3.45Å; Y502-W826 VanDerWaalsContact CG-CZ3 3.45Å
503	V	95.1	Very high	73.7	Confident	0 Å²	0	86.4 Å²	86.4	0%	0	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	148.4	172.6	-55.7	0	0	0	0	111.1	L501 I529 L530 V532 Y632 E633 L833	L501-V503 HydrophobicContact CD1-CG1 3.4Å; V503-I529 WeakPolarHBondContact O-CA 3.4Å; V503-L530 HydrophobicContact CG2-CB 3.9Å; V503-L530 HydrophobicContact CG2-CD1 4.42Å; V503-L530 PolarHBondContact N-O 3.26Å; V503-L530 PolarHBondContact O-N 3.01Å; V503-V532 HydrophobicContact CG1-CG2 4.09Å; V503-V532 HydrophobicContact CG2-CG2 3.9Å; V503-Y632 HydrophobicContact CB-CD1 4.34Å; V503-Y632 HydrophobicContact CG2-CD1 3.67Å; V503-Y632 HydrophobicContact CG2-CE1 4.33Å; V503-Y632 HydrophobicContact CG2-CG 4.19Å; V503-E633 CarbonylContact C-O 3.19Å; V503-E633 WeakPolarHBondContact CA-O 3.49Å; V503-L833 HydrophobicContact CG1-CD1 3.77Å; V503-L833 HydrophobicContact CG1-CD2 4.01Å; V503-L833 HydrophobicContact CG1-CG 4.45Å
504	R	95.5	Very high	76	Confident	20 Å²	20	78.9 Å²	78.9	8%	0.075	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	125.9	165.6	-172.6	163.3	68.2	101.6	1.2	108.6	D528 I529 E633 V635 E795 F797	R504-D528 WeakPolarHBondContact CA-O 3.47Å; R504-I529 HydrophobicContact CB-CD1 3.92Å; R504-I529 HydrophobicContact CG-CD1 3.91Å; R504-E633 HydrophobicContact CB-CB 4.47Å; R504-E633 IonicContact CZ-OE2 3.17Å; R504-E633 PolarHBondContact N-O 3.22Å; R504-E633 IonicContact NE-OE2 2.63Å; R504-E633 PolarHBondContact NE-OE2 2.86Å; R504-E633 IonicContact NH2-OE1 3.07Å; R504-E633 PolarHBondContact NH2-OE1 3.44Å; R504-E633 IonicContact NH2-OE2 2.73Å; R504-E633 PolarHBondContact NH2-OE2 3.4Å; R504-E633 PolarHBondContact O-N 3.36Å; R504-V635 HydrophobicContact CB-CG1 3.76Å; R504-V635 HydrophobicContact CB-CG2 4.49Å; R504-E795 PolarHBondContact NH2-O 2.83Å; R504-F797 PolarHBondContact NH1-O 3.47Å
505	A	96.3	Very high	78	Confident	0 Å²	0	74.7 Å²	74.7	0%	0	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	127	178.4	0	0	0	0	0	110.7	F524 K525 G527 D528 L530	A505-F524 HydrophobicContact CB-CD2 3.48Å; A505-F524 VanDerWaalsContact CB-CD2 3.48Å; A505-F524 HydrophobicContact CB-CE2 3.65Å; A505-F524 HydrophobicContact CB-CG 4.49Å; A505-K525 WeakPolarHBondContact CB-O 3.41Å; A505-G527 PolarHBondContact O-N 2.66Å; A505-D528 HydrophobicContact CB-CB 4.49Å; A505-D528 PolarHBondContact N-O 3.12Å; A505-L530 HydrophobicContact CB-CD1 4.48Å
506	L	95.1	Very high	80	Confident	2 Å²	2	71 Å²	71	1%	0.01	37%	0.374	C	S	.	.	S	Bend	trans	-102.4	18.9	177.2	-59.1	-177.2	0	0	0	112.7	F526 L630 S631 E633 E795	L506-F526 HydrophobicContact CB-CE2 4.22Å; L506-F526 HydrophobicContact CD2-CE2 4.13Å; L506-F526 HydrophobicContact CD2-CZ 4.18Å; L506-F526 WeakPolarHBondContact O-CD2 3.41Å; L506-L630 HydrophobicContact CB-CB 4.18Å; L506-L630 HydrophobicContact CB-CD2 4.28Å; L506-L630 HydrophobicContact CD1-CD2 4.21Å; L506-S631 PolarHBondContact N-O 3.48Å; L506-E633 HydrophobicContact CD1-CB 4.24Å; L506-E633 HydrophobicContact CG-CB 4.47Å; L506-E795 HydrophobicContact CD1-CB 4.26Å
507	F	94.2	Very high	81.8	Confident	40 Å²	40	67.7 Å²	67.7	18%	0.175	35%	0.348	C	S	.	.	S	Bend	trans	-158.2	160.2	177.5	67.8	-74.7	0	0	0	110.9	F524 V564 S631 Y632	F507-F524 HydrophobicContact CD2-CE2 4.41Å; F507-F524 HydrophobicContact CE1-CE2 4.05Å; F507-F524 HydrophobicContact CE1-CZ 4.21Å; F507-F524 AromaticContact CE2-CE2 3.95Å; F507-F524 HydrophobicContact CE2-CE2 3.95Å; F507-F524 AromaticContact CE2-CZ 3.9Å; F507-F524 HydrophobicContact CE2-CZ 3.9Å; F507-F524 AromaticContact CZ-CE2 3.74Å; F507-F524 HydrophobicContact CZ-CE2 3.74Å; F507-F524 AromaticContact CZ-CZ 3.56Å; F507-F524 HydrophobicContact CZ-CZ 3.56Å; F507-V564 HydrophobicContact CD1-CG1 4.29Å; F507-V564 HydrophobicContact CE1-CG1 3.98Å; F507-V564 HydrophobicContact CE1-CG2 3.97Å; F507-V564 HydrophobicContact CE2-CG1 4.39Å; F507-V564 HydrophobicContact CE2-CG2 4.09Å; F507-V564 HydrophobicContact CZ-CB 4.4Å; F507-V564 HydrophobicContact CZ-CG1 4.04Å; F507-V564 HydrophobicContact CZ-CG2 3.45Å; F507-V564 VanDerWaalsContact CZ-CG2 3.45Å; F507-S631 WeakPolarHBondContact CD1-O 3.17Å; F507-S631 VanDerWaalsContact CE1-O 3.29Å; F507-S631 WeakPolarHBondContact CE1-O 3.39Å; F507-Y632 HydrophobicContact CE1-CD1 4.27Å; F507-Y632 AromaticContact CE1-CE1 3.83Å; F507-Y632 HydrophobicContact CE1-CE1 3.83Å; F507-Y632 HydrophobicContact CE1-CE2 4.17Å; F507-Y632 AromaticContact CE1-CZ 3.8Å; F507-Y632 HydrophobicContact CZ-CE1 4.15Å; F507-Y632 HydrophobicContact CZ-CE2 4.34Å; F507-Y632 AromaticContact CZ-CZ 3.81Å
508	D	93.7	Very high	83.4	Confident	91 Å²	91	62.2 Å²	62.2	49%	0.487	33%	0.326	S	S	.	.			trans	-80	132.5	171.2	-94.8	29	0	0	0	111.4	K525 F526	D508-K525 VanDerWaalsContact CG-CD 3.47Å; D508-K525 WeakPolarHBondContact OD1-CA 3.4Å; D508-K525 WeakPolarHBondContact OD1-CD 3.28Å; D508-K525 VanDerWaalsContact OD2-CD 3.24Å; D508-K525 WeakPolarHBondContact OD2-CD 3.23Å; D508-K525 IonicContact OD2-NZ 3.81Å; D508-K525 PolarHBondContact OD2-NZ 3.11Å; D508-F526 PolarHBondContact OD1-N 3.1Å
509	Y	93.6	Very high	84.1	Confident	18 Å²	18	62.5 Å²	62.5	7%	0.071	34%	0.341	C	S	.	.	B	Isolated β-bridge	trans	-122.2	126.7	171.2	-176.4	-114.5	0	0	0	112.6	K511 D514 L522 F524 P559	Y509-K511 HydrophobicContact CE1-CB 4.23Å; Y509-D514 HydrophobicContact CE2-CB 4.2Å; Y509-L522 WeakPolarHBondContact CD1-O 3.33Å; Y509-L522 VanDerWaalsContact CE1-O 3.3Å; Y509-L522 WeakPolarHBondContact CE1-O 3.23Å; Y509-F524 VanDerWaalsContact CB-CE1 3.43Å; Y509-F524 HydrophobicContact CD1-CD1 4.07Å; Y509-F524 AromaticContact CD1-CE1 3.59Å; Y509-F524 HydrophobicContact CD1-CE1 3.59Å; Y509-F524 HydrophobicContact CD1-CZ 4.21Å; Y509-F524 HydrophobicContact CG-CD1 4.43Å; Y509-F524 AromaticContact CG-CE1 3.8Å; Y509-F524 HydrophobicContact CG-CE1 3.8Å; Y509-F524 AromaticContact CG-CZ 3.94Å; Y509-F524 HydrophobicContact CG-CZ 3.94Å; Y509-F524 PolarHBondContact N-O 3.48Å; Y509-F524 PolarHBondContact O-N 3.48Å; Y509-F524 VanDerWaalsContact O-O 3.1Å; Y509-P559 HydrophobicContact CD1-CG 4.35Å; Y509-P559 HydrophobicContact CD2-CG 3.69Å; Y509-P559 HydrophobicContact CE1-CG 4.1Å; Y509-P559 HydrophobicContact CE2-CG 3.4Å; Y509-P559 VanDerWaalsContact CE2-CG 3.4Å; Y509-P559 HydrophobicContact CG-CG 4.17Å
510	D	91.4	Very high	85.2	Confident	46 Å²	46	61.1 Å²	61.1	25%	0.246	34%	0.342	C	S	.	.			trans	-121.6	110.7	178	178.5	-12	0	0	0	109	T512 K513	D510-T512 VanDerWaalsContact CG-OG1 3.28Å; D510-T512 PolarHBondContact O-N 3.06Å; D510-T512 VanDerWaalsContact O-N 3.15Å; D510-T512 WeakPolarHBondContact OD1-CB 3.44Å; D510-T512 PolarHBondContact OD1-N 3.42Å; D510-T512 PolarHBondContact OD1-OG1 3.08Å; D510-T512 PolarHBondContact OD2-OG1 3.28Å; D510-K513 HydrophobicContact CB-CD 4.15Å; D510-K513 HydrophobicContact CB-CG 4.26Å; D510-K513 PolarHBondContact O-N 3.38Å; D510-K513 WeakPolarHBondContact OD2-CE 3.43Å; D510-K513 IonicContact OD2-NZ 3.86Å; D510-K513 PolarHBondContact OD2-NZ 2.85Å
511	K	88	Confident	85.6	Confident	68 Å²	68	58.4 Å²	58.4	30%	0.296	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-62	-19.7	-177.1	75.5	-168.2	176.7	-173.7	0	113.9	Y509 K513 L517 G521 N523	Y509-K511 HydrophobicContact CE1-CB 4.23Å; K511-K513 PolarHBondContact O-N 2.58Å; K511-L517 HydrophobicContact CB-CD2 3.69Å; K511-L517 WeakPolarHBondContact O-CD2 3.31Å; K511-G521 WeakPolarHBondContact CD-O 3.4Å; K511-G521 WeakPolarHBondContact CE-O 3.39Å; K511-G521 PolarHBondContact NZ-O 3.03Å; K511-N523 WeakPolarHBondContact CB-OD1 3.37Å; K511-N523 WeakPolarHBondContact CG-OD1 3.24Å; K511-N523 PolarHBondContact N-OD1 2.94Å
512	T	87.6	Confident	85.7	Confident	116 Å²	116	56.5 Å²	56.5	71%	0.712	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-74.9	-15.1	175.9	70.8	0	0	0	0	113.1	D510	D510-T512 VanDerWaalsContact CG-OG1 3.28Å; D510-T512 PolarHBondContact O-N 3.06Å; D510-T512 VanDerWaalsContact O-N 3.15Å; D510-T512 WeakPolarHBondContact OD1-CB 3.44Å; D510-T512 PolarHBondContact OD1-N 3.42Å; D510-T512 PolarHBondContact OD1-OG1 3.08Å; D510-T512 PolarHBondContact OD2-OG1 3.28Å
513	K	86.1	Confident	85.6	Confident	160 Å²	160	56.6 Å²	56.6	70%	0.696	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-103.7	-0	-174.3	-62	-176.5	176.9	113.9	0	114.7	D510 K511	D510-K513 HydrophobicContact CB-CD 4.15Å; D510-K513 HydrophobicContact CB-CG 4.26Å; D510-K513 PolarHBondContact O-N 3.38Å; D510-K513 WeakPolarHBondContact OD2-CE 3.43Å; D510-K513 IonicContact OD2-NZ 3.86Å; D510-K513 PolarHBondContact OD2-NZ 2.85Å; K511-K513 PolarHBondContact O-N 2.58Å
514	D	81.5	Confident	85.6	Confident	15 Å²	15	56.8 Å²	56.8	8%	0.08	32%	0.319	C	S	.	.			trans	-115.4	100.2	174.5	-158	-51.1	0	0	0	110.9	Y509 G516 L517 R563 K567	Y509-D514 HydrophobicContact CE2-CB 4.2Å; D514-G516 PolarHBondContact O-N 3.47Å; D514-G516 PolarHBondContact OD1-N 3.23Å; D514-G516 VanDerWaalsContact OD1-N 3.07Å; D514-L517 WeakPolarHBondContact O-CB 3.39Å; D514-L517 PolarHBondContact O-N 2.97Å; D514-R563 VanDerWaalsContact CG-NH2 3.32Å; D514-R563 IonicContact OD1-CZ 2.69Å; D514-R563 IonicContact OD1-NH2 3.99Å; D514-R563 PolarHBondContact OD1-NH2 3.45Å; D514-R563 IonicContact OD2-CZ 3.5Å; D514-R563 IonicContact OD2-NE 3.22Å; D514-R563 IonicContact OD2-NH2 2.68Å; D514-R563 PolarHBondContact OD2-NH2 3.45Å; D514-R563 VanDerWaalsContact OD2-NH2 3.14Å; D514-K567 IonicContact OD2-NZ 3.48Å; D514-K567 PolarHBondContact OD2-NZ 2.9Å
515	S	69.2	Low	85.6	Confident	136 Å²	136	61.4 Å²	61.4	95%	0.951	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-6.5	-179.8	51.7	0	0	0	0	114.4
516	G	70.4	Confident	85.6	Confident	43 Å²	43	62.6 Å²	62.6	44%	0.443	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	5.4	173.4	0	0	0	0	0	114.1	D514 W540	D514-G516 PolarHBondContact O-N 3.47Å; D514-G516 PolarHBondContact OD1-N 3.23Å; D514-G516 VanDerWaalsContact OD1-N 3.07Å; G516-W540 VanDerWaalsContact O-CZ2 3.27Å; G516-W540 WeakPolarHBondContact O-CZ2 3.31Å
517	L	74.9	Confident	85.5	Confident	42 Å²	42	63.2 Å²	63.2	22%	0.22	35%	0.352	C	S	.	.			trans	-68.6	122.6	-175.8	172.1	63.7	0	0	0	112.4	K511 D514 W540	K511-L517 HydrophobicContact CB-CD2 3.69Å; K511-L517 WeakPolarHBondContact O-CD2 3.31Å; D514-L517 WeakPolarHBondContact O-CB 3.39Å; D514-L517 PolarHBondContact O-N 2.97Å; L517-W540 HydrophobicContact CB-CH2 4.06Å; L517-W540 HydrophobicContact CB-CZ2 4.43Å; L517-W540 HydrophobicContact CD1-CE3 4.32Å; L517-W540 HydrophobicContact CD1-CH2 3.95Å; L517-W540 HydrophobicContact CD1-CZ3 3.74Å
518	P	68.6	Low	85.6	Confident	50 Å²	50	63 Å²	63	33%	0.325	35%	0.353	S	S	.	.			trans	-62.9	147	163.4	28.8	-37.1	0	0	0	110.6	W540 V557	P518-W540 HydrophobicContact CG-CB 4.44Å; P518-W540 HydrophobicContact CG-CD2 4.06Å; P518-W540 HydrophobicContact CG-CG 3.93Å; P518-V557 HydrophobicContact CG-CB 4.48Å; P518-V557 HydrophobicContact CG-CG1 3.92Å
519	S	65.8	Low	85.7	Confident	104 Å²	104	59.3 Å²	59.3	73%	0.727	33%	0.333	S	S	*	.	S	Bend	trans	-45.9	141.3	179.5	56	0	0	0	0	113.1
520	Q	80.9	Confident	85.8	Confident	153 Å²	153	58.5 Å²	58.5	72%	0.715	33%	0.33	S	S	*	.	S	Bend	trans	76.9	45.3	-176.2	-50.3	174.8	-48.2	0	0	115.6	G556 V557	Q520-G556 CarbonylContact O-C 3.51Å; Q520-G556 WeakPolarHBondContact O-CA 3.35Å; Q520-V557 PolarHBondContact O-N 2.79Å
521	G	85.7	Confident	85.9	Confident	3 Å²	3	57.1 Å²	57.1	3%	0.031	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-62.4	149	167.3	0	0	0	0	0	113.6	K511 V557	K511-G521 WeakPolarHBondContact CD-O 3.4Å; K511-G521 WeakPolarHBondContact CE-O 3.39Å; K511-G521 PolarHBondContact NZ-O 3.03Å; G521-V557 CarbonylContact C-O 3.55Å; G521-V557 VanDerWaalsContact CA-O 3.3Å; G521-V557 WeakPolarHBondContact CA-O 3.41Å
522	L	91.6	Very high	86.2	Confident	10 Å²	10	53.9 Å²	53.9	5%	0.052	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-101.7	143.5	171.4	-174.4	66.7	0	0	0	109.6	Y509 L530 V557 I558	Y509-L522 WeakPolarHBondContact CD1-O 3.33Å; Y509-L522 VanDerWaalsContact CE1-O 3.3Å; Y509-L522 WeakPolarHBondContact CE1-O 3.23Å; L522-L530 HydrophobicContact CD2-CD2 4.25Å; L522-V557 PolarHBondContact N-O 2.84Å; L522-I558 HydrophobicContact CB-CG2 3.91Å; L522-I558 HydrophobicContact CD2-CG2 4.15Å; L522-I558 HydrophobicContact CG-CG2 4.49Å
523	N	93.1	Very high	86.4	Confident	71 Å²	71	51.5 Å²	51.5	38%	0.38	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-95.7	148.3	172.1	-79.4	-20.4	0	0	0	109.7	K511	K511-N523 WeakPolarHBondContact CB-OD1 3.37Å; K511-N523 WeakPolarHBondContact CG-OD1 3.24Å; K511-N523 PolarHBondContact N-OD1 2.94Å
524	F	94.8	Very high	86.4	Confident	4 Å²	4	45.3 Å²	45.3	2%	0.018	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-157.5	166.4	172.2	59.2	-96.1	0	0	0	112.2	A505 F507 Y509 D528 L530 I558 Y632	A505-F524 HydrophobicContact CB-CD2 3.48Å; A505-F524 VanDerWaalsContact CB-CD2 3.48Å; A505-F524 HydrophobicContact CB-CE2 3.65Å; A505-F524 HydrophobicContact CB-CG 4.49Å; F507-F524 HydrophobicContact CD2-CE2 4.41Å; F507-F524 HydrophobicContact CE1-CE2 4.05Å; F507-F524 HydrophobicContact CE1-CZ 4.21Å; F507-F524 AromaticContact CE2-CE2 3.95Å; F507-F524 HydrophobicContact CE2-CE2 3.95Å; F507-F524 AromaticContact CE2-CZ 3.9Å; F507-F524 HydrophobicContact CE2-CZ 3.9Å; F507-F524 AromaticContact CZ-CE2 3.74Å; F507-F524 HydrophobicContact CZ-CE2 3.74Å; F507-F524 AromaticContact CZ-CZ 3.56Å; F507-F524 HydrophobicContact CZ-CZ 3.56Å; Y509-F524 VanDerWaalsContact CB-CE1 3.43Å; Y509-F524 HydrophobicContact CD1-CD1 4.07Å; Y509-F524 AromaticContact CD1-CE1 3.59Å; Y509-F524 HydrophobicContact CD1-CE1 3.59Å; Y509-F524 HydrophobicContact CD1-CZ 4.21Å; Y509-F524 HydrophobicContact CG-CD1 4.43Å; Y509-F524 AromaticContact CG-CE1 3.8Å; Y509-F524 HydrophobicContact CG-CE1 3.8Å; Y509-F524 AromaticContact CG-CZ 3.94Å; Y509-F524 HydrophobicContact CG-CZ 3.94Å; Y509-F524 PolarHBondContact N-O 3.48Å; Y509-F524 PolarHBondContact O-N 3.48Å; Y509-F524 VanDerWaalsContact O-O 3.1Å; F524-D528 VanDerWaalsContact CA-OD2 3.29Å; F524-D528 WeakPolarHBondContact CA-OD2 3.23Å; F524-D528 HydrophobicContact CB-CB 4.07Å; F524-D528 WeakPolarHBondContact CB-OD2 3.44Å; F524-L530 HydrophobicContact CB-CD1 4.38Å; F524-L530 HydrophobicContact CB-CD2 4.1Å; F524-L530 HydrophobicContact CD1-CD1 3.75Å; F524-L530 HydrophobicContact CD2-CD1 4.21Å; F524-L530 HydrophobicContact CE1-CD1 3.99Å; F524-L530 HydrophobicContact CE2-CD1 4.41Å; F524-L530 HydrophobicContact CG-CD1 3.86Å; F524-L530 HydrophobicContact CG-CD2 4.45Å; F524-L530 HydrophobicContact CZ-CD1 4.29Å; F524-I558 HydrophobicContact CD1-CG2 3.88Å; F524-I558 HydrophobicContact CE1-CB 3.82Å; F524-I558 HydrophobicContact CE1-CG2 3.57Å; F524-Y632 HydrophobicContact CE2-CE1 4.17Å; F524-Y632 AromaticContact CZ-CE1 3.86Å; F524-Y632 HydrophobicContact CZ-CE1 3.86Å; F524-Y632 WeakPolarHBondContact CZ-OH 3.39Å
525	K	94.8	Very high	86.8	Confident	117 Å²	117	46.4 Å²	46.4	51%	0.509	28%	0.276	S	S	.	.			trans	-117.6	163	-177.5	-65.9	-55.4	-169.1	-177.4	0	112.3	A505 D508 G527 D528	A505-K525 WeakPolarHBondContact CB-O 3.41Å; D508-K525 VanDerWaalsContact CG-CD 3.47Å; D508-K525 WeakPolarHBondContact OD1-CA 3.4Å; D508-K525 WeakPolarHBondContact OD1-CD 3.28Å; D508-K525 VanDerWaalsContact OD2-CD 3.24Å; D508-K525 WeakPolarHBondContact OD2-CD 3.23Å; D508-K525 IonicContact OD2-NZ 3.81Å; D508-K525 PolarHBondContact OD2-NZ 3.11Å; K525-G527 PolarHBondContact O-N 2.88Å; K525-D528 PolarHBondContact N-OD2 2.88Å; K525-D528 WeakPolarHBondContact O-CB 3.45Å; K525-D528 PolarHBondContact O-N 2.88Å; K525-D528 VanDerWaalsContact O-N 3.12Å
526	F	95.9	Very high	87.4	Confident	25 Å²	25	43.6 Å²	43.6	11%	0.11	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	126.4	165.8	-176.3	-78.2	0	0	0	110.5	L506 D508 T794 F797 I800	L506-F526 HydrophobicContact CB-CE2 4.22Å; L506-F526 HydrophobicContact CD2-CE2 4.13Å; L506-F526 HydrophobicContact CD2-CZ 4.18Å; L506-F526 WeakPolarHBondContact O-CD2 3.41Å; D508-F526 PolarHBondContact OD1-N 3.1Å; F526-T794 HydrophobicContact CD2-CG2 4.42Å; F526-T794 HydrophobicContact CE2-CG2 3.51Å; F526-T794 HydrophobicContact CZ-CG2 4.02Å; F526-T794 WeakPolarHBondContact CZ-O 3.05Å; F526-F797 HydrophobicContact CE1-CB 4.11Å; F526-F797 WeakPolarHBondContact CE1-O 3.38Å; F526-F797 HydrophobicContact CZ-CB 4.23Å; F526-I800 HydrophobicContact CD1-CB 4.28Å; F526-I800 HydrophobicContact CD1-CD1 3.98Å; F526-I800 HydrophobicContact CD1-CG1 3.76Å; F526-I800 HydrophobicContact CD2-CD1 3.83Å; F526-I800 HydrophobicContact CE1-CD1 4.12Å; F526-I800 HydrophobicContact CE1-CG1 3.88Å; F526-I800 HydrophobicContact CE2-CD1 3.97Å; F526-I800 HydrophobicContact CG-CD1 3.86Å; F526-I800 HydrophobicContact CG-CG1 4.13Å; F526-I800 HydrophobicContact CZ-CD1 4.13Å; F526-I800 HydrophobicContact CZ-CG1 4.33Å
527	G	94.6	Very high	88	Confident	15 Å²	15	45.5 Å²	45.5	16%	0.155	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	95.9	-17	-179.6	0	0	0	0	0	115	A505 K525 T798	A505-G527 PolarHBondContact O-N 2.66Å; K525-G527 PolarHBondContact O-N 2.88Å; G527-T798 WeakPolarHBondContact CA-O 3.42Å
528	D	94.9	Very high	88.4	Confident	36 Å²	36	47.8 Å²	47.8	19%	0.193	27%	0.269	C	S	.	.			trans	-58.7	143.4	178.9	-91.5	-36.5	0	0	0	112.2	R504 A505 F524 K525 Q545	R504-D528 WeakPolarHBondContact CA-O 3.47Å; A505-D528 HydrophobicContact CB-CB 4.49Å; A505-D528 PolarHBondContact N-O 3.12Å; F524-D528 VanDerWaalsContact CA-OD2 3.29Å; F524-D528 WeakPolarHBondContact CA-OD2 3.23Å; F524-D528 HydrophobicContact CB-CB 4.07Å; F524-D528 WeakPolarHBondContact CB-OD2 3.44Å; K525-D528 PolarHBondContact N-OD2 2.88Å; K525-D528 WeakPolarHBondContact O-CB 3.45Å; K525-D528 PolarHBondContact O-N 2.88Å; K525-D528 VanDerWaalsContact O-N 3.12Å; D528-Q545 VanDerWaalsContact CG-NE2 3.33Å; D528-Q545 PolarHBondContact OD1-NE2 3.25Å; D528-Q545 PolarHBondContact OD2-NE2 2.87Å
529	I	95.4	Very high	89.3	Confident	14 Å²	14	47.8 Å²	47.8	7%	0.072	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	126.7	173.8	-50.7	-56.8	0	0	0	109.4	V503 R504 V546 V635 W826	V503-I529 WeakPolarHBondContact O-CA 3.4Å; R504-I529 HydrophobicContact CB-CD1 3.92Å; R504-I529 HydrophobicContact CG-CD1 3.91Å; I529-V546 HydrophobicContact CB-CB 4.28Å; I529-V546 HydrophobicContact CG2-CB 4.14Å; I529-V546 HydrophobicContact CG2-CG2 4.38Å; I529-V546 PolarHBondContact O-N 3.41Å; I529-V635 HydrophobicContact CD1-CG2 4.37Å; I529-V635 HydrophobicContact CG2-CG2 4.42Å; I529-W826 HydrophobicContact CD1-CB 3.99Å; I529-W826 HydrophobicContact CD1-CG 3.98Å; I529-W826 HydrophobicContact CG1-CB 4.44Å; I529-W826 HydrophobicContact CG1-CD2 4.34Å; I529-W826 HydrophobicContact CG1-CG 3.91Å; I529-W826 HydrophobicContact CG2-CD2 3.9Å; I529-W826 HydrophobicContact CG2-CE3 4.19Å; I529-W826 HydrophobicContact CG2-CG 4.36Å; I529-W826 HydrophobicContact CG2-CH2 4.39Å; I529-W826 HydrophobicContact CG2-CZ2 4.12Å; I529-W826 HydrophobicContact CG2-CZ3 4.42Å
530	L	95.8	Very high	90.4	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	123.6	-177.1	-53.2	174.7	0	0	0	109.6	Y502 V503 A505 L522 F524 V532 R544 Q545 I558 Y632	Y502-L530 WeakPolarHBondContact CA-O 3.44Å; V503-L530 HydrophobicContact CG2-CB 3.9Å; V503-L530 HydrophobicContact CG2-CD1 4.42Å; V503-L530 PolarHBondContact N-O 3.26Å; V503-L530 PolarHBondContact O-N 3.01Å; A505-L530 HydrophobicContact CB-CD1 4.48Å; L522-L530 HydrophobicContact CD2-CD2 4.25Å; F524-L530 HydrophobicContact CB-CD1 4.38Å; F524-L530 HydrophobicContact CB-CD2 4.1Å; F524-L530 HydrophobicContact CD1-CD1 3.75Å; F524-L530 HydrophobicContact CD2-CD1 4.21Å; F524-L530 HydrophobicContact CE1-CD1 3.99Å; F524-L530 HydrophobicContact CE2-CD1 4.41Å; F524-L530 HydrophobicContact CG-CD1 3.86Å; F524-L530 HydrophobicContact CG-CD2 4.45Å; F524-L530 HydrophobicContact CZ-CD1 4.29Å; L530-V532 PolarHBondContact O-N 2.66Å; L530-R544 CarbonylContact C-O 3.51Å; L530-R544 WeakPolarHBondContact CA-O 3.34Å; L530-Q545 HydrophobicContact CD2-CB 4.34Å; L530-Q545 HydrophobicContact CD2-CG 4.39Å; L530-I558 HydrophobicContact CD1-CD1 3.84Å; L530-Y632 HydrophobicContact CD1-CE1 4.15Å
531	H	95	Very high	91	Very high	17 Å²	17	38.1 Å²	38.1	8%	0.079	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	106.9	168.2	-175.3	175.2	0	0	0	108.5	S500 Y502 I533 A543 R544 V546 E551	S500-H531 WeakPolarHBondContact CB-NE2 3.37Å; S500-H531 PolarHBondContact OG-NE2 3.22Å; Y502-H531 HydrophobicContact CD1-CB 3.79Å; Y502-H531 HydrophobicContact CE1-CB 3.61Å; Y502-H531 AromaticContact CE1-CG 3.59Å; Y502-H531 AromaticContact CE1-ND1 3.71Å; Y502-H531 AromaticContact CZ-CE1 3.97Å; Y502-H531 AromaticContact CZ-CG 3.98Å; Y502-H531 AromaticContact CZ-ND1 3.81Å; H531-I533 PolarHBondContact O-N 3.38Å; H531-A543 CarbonylContact O-C 3.58Å; H531-A543 WeakPolarHBondContact O-CA 3.48Å; H531-A543 WeakPolarHBondContact O-CB 3.47Å; H531-R544 HydrophobicContact CB-CG 4.02Å; H531-R544 PolarHBondContact N-O 3.04Å; H531-R544 PolarHBondContact O-N 3.3Å; H531-V546 HydrophobicContact CB-CG2 3.96Å; H531-E551 VanDerWaalsContact CB-OE1 3.23Å; H531-E551 WeakPolarHBondContact CB-OE1 3.45Å; H531-E551 IonicContact CE1-OE1 3.15Å; H531-E551 IonicContact CE1-OE2 2.66Å; H531-E551 IonicContact CG-OE1 2.76Å; H531-E551 VanDerWaalsContact CG-OE1 3.3Å; H531-E551 IonicContact ND1-OE1 2.69Å; H531-E551 PolarHBondContact ND1-OE1 2.9Å; H531-E551 IonicContact ND1-OE2 3.03Å; H531-E551 PolarHBondContact ND1-OE2 3.48Å
532	V	93.4	Very high	91.2	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.006	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	103.1	174.3	-175	0	0	0	0	108.6	S500 L501 V503 L530 A535 W541 A543 I558	S500-V532 VanDerWaalsContact CA-O 3.23Å; S500-V532 WeakPolarHBondContact CA-O 3.38Å; S500-V532 WeakPolarHBondContact CB-O 3.49Å; L501-V532 HydrophobicContact CD1-CB 4.22Å; L501-V532 HydrophobicContact CD1-CG2 4.33Å; L501-V532 HydrophobicContact CG-CB 4.32Å; L501-V532 PolarHBondContact N-O 3.06Å; L501-V532 VanDerWaalsContact N-O 3.11Å; L501-V532 PolarHBondContact O-N 3.15Å; V503-V532 HydrophobicContact CG1-CG2 4.09Å; V503-V532 HydrophobicContact CG2-CG2 3.9Å; L530-V532 PolarHBondContact O-N 2.66Å; V532-A535 HydrophobicContact CG1-CB 3.87Å; V532-W541 HydrophobicContact CG1-CB 4.08Å; V532-W541 HydrophobicContact CG1-CD2 4.29Å; V532-W541 HydrophobicContact CG1-CE3 4.14Å; V532-W541 HydrophobicContact CG1-CG 4.34Å; V532-W541 HydrophobicContact CG2-CE3 4.17Å; V532-A543 HydrophobicContact CG2-CB 4.36Å; V532-I558 HydrophobicContact CG2-CD1 4.32Å
533	I	91.2	Very high	91.3	Very high	66 Å²	66	41.8 Å²	41.8	34%	0.338	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	-35.2	179.7	-61.9	163.6	0	0	0	110.3	H531 Q542 R544 V555	H531-I533 PolarHBondContact O-N 3.38Å; I533-Q542 PolarHBondContact N-O 3.39Å; I533-R544 HydrophobicContact CD1-CG 4.12Å; I533-V555 HydrophobicContact CD1-CB 4.41Å; I533-V555 HydrophobicContact CD1-CG1 3.91Å; I533-V555 HydrophobicContact CD1-CG2 3.6Å
534	N	87.6	Confident	91.4	Very high	29 Å²	29	41 Å²	41	16%	0.155	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	111.6	-179.3	177.5	16.9	0	0	0	112	K498 S536 W541 Q542	K498-N534 VanDerWaalsContact CD-OD1 3.23Å; K498-N534 WeakPolarHBondContact CD-OD1 3.3Å; K498-N534 VanDerWaalsContact NZ-CG 3.35Å; K498-N534 PolarHBondContact NZ-ND2 3.38Å; K498-N534 PolarHBondContact NZ-OD1 3.23Å; N534-S536 WeakPolarHBondContact OD1-CB 3.46Å; N534-S536 PolarHBondContact OD1-N 2.99Å; N534-S536 PolarHBondContact OD1-OG 3.06Å; N534-W541 WeakPolarHBondContact O-CA 3.39Å; N534-Q542 HydrophobicContact CB-CB 4.07Å; N534-Q542 HydrophobicContact CB-CG 4.25Å; N534-Q542 PolarHBondContact N-O 3.5Å; N534-Q542 VanDerWaalsContact N-O 3.12Å; N534-Q542 PolarHBondContact ND2-OE1 3.37Å; N534-Q542 PolarHBondContact O-N 3.3Å
535	A	88.2	Confident	91.3	Very high	38 Å²	38	43.6 Å²	43.6	31%	0.314	23%	0.225	S	C	.	.			trans	-102.1	12.7	179.2	0	0	0	0	0	114.6	V532 D537 W541	V532-A535 HydrophobicContact CG1-CB 3.87Å; A535-D537 PolarHBondContact O-N 3.23Å; A535-W541 HydrophobicContact CB-CD2 4.12Å; A535-W541 HydrophobicContact CB-CG 4.26Å; A535-W541 HydrophobicContact CB-CZ2 4.26Å; A535-W541 PolarHBondContact O-NE1 3.47Å; A535-W541 VanDerWaalsContact O-NE1 3.12Å
536	S	82.9	Confident	91.2	Very high	78 Å²	78	38.9 Å²	38.9	55%	0.545	21%	0.206	S	C	.	.			trans	-82.2	-8.6	-168.1	73.4	0	0	0	0	116.4	K498 N534	K498-S536 VanDerWaalsContact NZ-CB 3.35Å; K498-S536 PolarHBondContact NZ-OG 3.03Å; N534-S536 WeakPolarHBondContact OD1-CB 3.46Å; N534-S536 PolarHBondContact OD1-N 2.99Å; N534-S536 PolarHBondContact OD1-OG 3.06Å
537	D	83.3	Confident	90.7	Very high	83 Å²	83	40.5 Å²	40.5	44%	0.444	22%	0.219	S	C	.	.	S	Bend	trans	-95.8	135.6	174.7	174.2	-54.3	0	0	0	109	A535 E539 W540 W541	A535-D537 PolarHBondContact O-N 3.23Å; D537-E539 VanDerWaalsContact C-N 3.26Å; D537-E539 PolarHBondContact O-N 3.17Å; D537-E539 PolarHBondContact OD1-N 3.17Å; D537-W540 VanDerWaalsContact CB-O 3.31Å; D537-W540 WeakPolarHBondContact CB-O 3.46Å; D537-W540 PolarHBondContact OD1-N 2.94Å; D537-W541 VanDerWaalsContact O-CD1 3.3Å; D537-W541 PolarHBondContact O-NE1 2.85Å
538	D	83.3	Confident	89.9	Confident	89 Å²	89	45 Å²	45	48%	0.476	25%	0.245	S	C	.	.	S	Bend	trans	-72.7	-17.1	-169.4	-117.4	-21.7	0	0	0	113.3	S560 R562	D538-S560 PolarHBondContact O-OG 3.04Å; D538-R562 WeakPolarHBondContact OD1-CD 3.38Å; D538-R562 IonicContact OD1-CZ 2.65Å; D538-R562 IonicContact OD1-NE 3.57Å; D538-R562 IonicContact OD1-NH1 2.67Å; D538-R562 PolarHBondContact OD1-NH1 2.81Å; D538-R562 IonicContact OD2-CZ 2.64Å; D538-R562 IonicContact OD2-NH1 3.34Å; D538-R562 PolarHBondContact OD2-NH1 3.41Å
539	E	86.8	Confident	89	Confident	50 Å²	50	51 Å²	51	23%	0.234	28%	0.277	C	S	.	.	S	Bend	trans	-117.2	-28.1	-178.5	-68.9	-82	157.6	0	0	112.5	D537 S560 R563 K566	D537-E539 VanDerWaalsContact C-N 3.26Å; D537-E539 PolarHBondContact O-N 3.17Å; D537-E539 PolarHBondContact OD1-N 3.17Å; E539-S560 WeakPolarHBondContact CA-OG 3.14Å; E539-S560 PolarHBondContact O-N 2.82Å; E539-R563 WeakPolarHBondContact O-CD 3.2Å; E539-R563 VanDerWaalsContact OE2-CD 3.31Å; E539-R563 WeakPolarHBondContact OE2-CD 3.42Å; E539-R563 VanDerWaalsContact OE2-CG 3.28Å; E539-R563 WeakPolarHBondContact OE2-CG 3.49Å; E539-R563 IonicContact OE2-CZ 3.66Å; E539-R563 IonicContact OE2-NE 3.27Å; E539-R563 IonicContact OE2-NH1 2.89Å; E539-R563 PolarHBondContact OE2-NH1 2.55Å; E539-K566 IonicContact OE1-NZ 3.42Å; E539-K566 PolarHBondContact OE1-NZ 3.11Å
540	W	89.9	Confident	88.4	Confident	33 Å²	33	51.8 Å²	51.8	13%	0.125	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	120.6	-170.5	-66.1	112.6	0	0	0	114.1	G516 L517 P518 D537 V557 P559 R563	G516-W540 VanDerWaalsContact O-CZ2 3.27Å; G516-W540 WeakPolarHBondContact O-CZ2 3.31Å; L517-W540 HydrophobicContact CB-CH2 4.06Å; L517-W540 HydrophobicContact CB-CZ2 4.43Å; L517-W540 HydrophobicContact CD1-CE3 4.32Å; L517-W540 HydrophobicContact CD1-CH2 3.95Å; L517-W540 HydrophobicContact CD1-CZ3 3.74Å; P518-W540 HydrophobicContact CG-CB 4.44Å; P518-W540 HydrophobicContact CG-CD2 4.06Å; P518-W540 HydrophobicContact CG-CG 3.93Å; D537-W540 VanDerWaalsContact CB-O 3.31Å; D537-W540 WeakPolarHBondContact CB-O 3.46Å; D537-W540 PolarHBondContact OD1-N 2.94Å; W540-V557 HydrophobicContact CB-CG1 3.7Å; W540-V557 HydrophobicContact CD2-CG1 4.2Å; W540-V557 HydrophobicContact CE3-CG1 3.81Å; W540-V557 HydrophobicContact CG-CG1 4.19Å; W540-P559 HydrophobicContact CH2-CG 4.5Å; W540-P559 HydrophobicContact CZ3-CB 4.21Å; W540-P559 HydrophobicContact CZ3-CG 3.82Å; W540-R563 VanDerWaalsContact CZ2-NE 3.33Å
541	W	92.1	Very high	87.9	Confident	21 Å²	21	54.8 Å²	54.8	8%	0.08	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	144.9	178	-66.8	-10.4	0	0	0	111.8	V532 N534 A535 D537 V557 I558 K561 Y632 L833	V532-W541 HydrophobicContact CG1-CB 4.08Å; V532-W541 HydrophobicContact CG1-CD2 4.29Å; V532-W541 HydrophobicContact CG1-CE3 4.14Å; V532-W541 HydrophobicContact CG1-CG 4.34Å; V532-W541 HydrophobicContact CG2-CE3 4.17Å; N534-W541 WeakPolarHBondContact O-CA 3.39Å; A535-W541 HydrophobicContact CB-CD2 4.12Å; A535-W541 HydrophobicContact CB-CG 4.26Å; A535-W541 HydrophobicContact CB-CZ2 4.26Å; A535-W541 PolarHBondContact O-NE1 3.47Å; A535-W541 VanDerWaalsContact O-NE1 3.12Å; D537-W541 VanDerWaalsContact O-CD1 3.3Å; D537-W541 PolarHBondContact O-NE1 2.85Å; W541-V557 CarbonylContact O-C 3.5Å; W541-V557 WeakPolarHBondContact O-CA 3.29Å; W541-I558 HydrophobicContact CB-CD1 4.48Å; W541-I558 HydrophobicContact CB-CG1 3.89Å; W541-I558 PolarHBondContact N-O 3.44Å; W541-I558 PolarHBondContact O-N 2.83Å; W541-K561 HydrophobicContact CH2-CB 3.38Å; W541-K561 HydrophobicContact CZ2-CB 3.87Å; W541-K561 HydrophobicContact CZ3-CB 4.05Å; W541-Y632 HydrophobicContact CE3-CE2 4.36Å; W541-Y632 AromaticContact CZ3-CD2 3.91Å; W541-Y632 HydrophobicContact CZ3-CD2 3.91Å; W541-Y632 HydrophobicContact CZ3-CE2 4.18Å; W541-Y632 HydrophobicContact CZ3-CG 4.5Å; W541-L833 HydrophobicContact CH2-CD2 4.3Å
542	Q	91	Very high	87.3	Confident	90 Å²	90	56 Å²	56	42%	0.421	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	125.5	171.6	-50.5	179.2	-84.4	0	0	109.1	I533 N534 G556	I533-Q542 PolarHBondContact N-O 3.39Å; N534-Q542 HydrophobicContact CB-CB 4.07Å; N534-Q542 HydrophobicContact CB-CG 4.25Å; N534-Q542 PolarHBondContact N-O 3.5Å; N534-Q542 VanDerWaalsContact N-O 3.12Å; N534-Q542 PolarHBondContact ND2-OE1 3.37Å; N534-Q542 PolarHBondContact O-N 3.3Å; Q542-G556 WeakPolarHBondContact CA-O 3.24Å
543	A	93.8	Very high	86.8	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	166.8	-174.7	0	0	0	0	0	112.2	H531 V532 G556 I558	H531-A543 CarbonylContact O-C 3.58Å; H531-A543 WeakPolarHBondContact O-CA 3.48Å; H531-A543 WeakPolarHBondContact O-CB 3.47Å; V532-A543 HydrophobicContact CG2-CB 4.36Å; A543-G556 PolarHBondContact N-O 2.93Å; A543-G556 PolarHBondContact O-N 3.37Å; A543-G556 VanDerWaalsContact O-O 3.06Å; A543-I558 HydrophobicContact CB-CD1 3.62Å; A543-I558 HydrophobicContact CB-CG1 3.98Å; A543-I558 HydrophobicContact CB-CG2 4.37Å
544	R	94.2	Very high	86.5	Confident	54 Å²	54	65.3 Å²	65.3	20%	0.204	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	153.7	168.3	57.9	168.9	167.5	-170.5	2.8	111	L530 H531 I533 E551 S552 E554 V555	L530-R544 CarbonylContact C-O 3.51Å; L530-R544 WeakPolarHBondContact CA-O 3.34Å; H531-R544 HydrophobicContact CB-CG 4.02Å; H531-R544 PolarHBondContact N-O 3.04Å; H531-R544 PolarHBondContact O-N 3.3Å; I533-R544 HydrophobicContact CD1-CG 4.12Å; R544-E551 VanDerWaalsContact CZ-CB 3.48Å; R544-E551 IonicContact CZ-OE2 2.81Å; R544-E551 IonicContact NE-OE1 2.65Å; R544-E551 IonicContact NE-OE2 3.12Å; R544-E551 PolarHBondContact NE-OE2 3.46Å; R544-E551 IonicContact NH2-OE2 2.66Å; R544-E551 PolarHBondContact NH2-OE2 3.02Å; R544-S552 WeakPolarHBondContact CD-O 3.15Å; R544-S552 PolarHBondContact NH1-O 3.4Å; R544-E554 WeakPolarHBondContact CB-O 3.44Å; R544-V555 HydrophobicContact CB-CG2 4.49Å
545	Q	93.8	Very high	86.5	Confident	59 Å²	59	67 Å²	67	28%	0.276	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	145	173.9	-164.5	176.9	14.7	0	0	110.4	D528 L530 S552	D528-Q545 VanDerWaalsContact CG-NE2 3.33Å; D528-Q545 PolarHBondContact OD1-NE2 3.25Å; D528-Q545 PolarHBondContact OD2-NE2 2.87Å; L530-Q545 HydrophobicContact CD2-CB 4.34Å; L530-Q545 HydrophobicContact CD2-CG 4.39Å; Q545-S552 WeakPolarHBondContact O-CB 3.38Å; Q545-S552 PolarHBondContact O-N 2.84Å
546	V	92.2	Very high	86.6	Confident	18 Å²	18	65.4 Å²	65.4	11%	0.109	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	122.1	173.8	-173.4	0	0	0	0	108.2	Y502 I529 H531 E551 W826	Y502-V546 HydrophobicContact CD1-CG2 4.12Å; Y502-V546 HydrophobicContact CE1-CG2 4.07Å; I529-V546 HydrophobicContact CB-CB 4.28Å; I529-V546 HydrophobicContact CG2-CB 4.14Å; I529-V546 HydrophobicContact CG2-CG2 4.38Å; I529-V546 PolarHBondContact O-N 3.41Å; H531-V546 HydrophobicContact CB-CG2 3.96Å; V546-E551 HydrophobicContact CG2-CG 4.43Å; V546-W826 HydrophobicContact CG1-CZ2 4.06Å
547	T	85.8	Confident	87.1	Confident	60 Å²	60	62.6 Å²	62.6	37%	0.368	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	172.1	178	69	0	0	0	0	110	D549 G550	T547-D549 PolarHBondContact O-N 2.98Å; T547-D549 PolarHBondContact OG1-N 3.42Å; T547-G550 PolarHBondContact N-O 3.28Å; T547-G550 PolarHBondContact O-N 3Å; T547-G550 VanDerWaalsContact O-N 3.13Å; T547-G550 PolarHBondContact OG1-O 3.23Å
548	P	77.4	Confident	87.6	Confident	108 Å²	108	58.7 Å²	58.7	70%	0.701	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-28.9	173.1	-26.6	37	0	0	0	113.9	G550	P548-G550 VanDerWaalsContact C-N 3.35Å
549	D	76.7	Confident	88.1	Confident	163 Å²	163	54.7 Å²	54.7	87%	0.872	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-13.6	178.4	-56.5	-67.6	0	0	0	113.8	T547	T547-D549 PolarHBondContact O-N 2.98Å; T547-D549 PolarHBondContact OG1-N 3.42Å
550	G	81.9	Confident	88.3	Confident	31 Å²	31	52.3 Å²	52.3	32%	0.32	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	139	-155.3	178	0	0	0	0	0	114.2	T547 P548	T547-G550 PolarHBondContact N-O 3.28Å; T547-G550 PolarHBondContact O-N 3Å; T547-G550 VanDerWaalsContact O-N 3.13Å; T547-G550 PolarHBondContact OG1-O 3.23Å; P548-G550 VanDerWaalsContact C-N 3.35Å
551	E	84.9	Confident	88.4	Confident	63 Å²	63	52.9 Å²	52.9	29%	0.294	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	135.4	179.1	-47.4	-152	85.7	0	0	111.5	H531 R544 V546	H531-E551 VanDerWaalsContact CB-OE1 3.23Å; H531-E551 WeakPolarHBondContact CB-OE1 3.45Å; H531-E551 IonicContact CE1-OE1 3.15Å; H531-E551 IonicContact CE1-OE2 2.66Å; H531-E551 IonicContact CG-OE1 2.76Å; H531-E551 VanDerWaalsContact CG-OE1 3.3Å; H531-E551 IonicContact ND1-OE1 2.69Å; H531-E551 PolarHBondContact ND1-OE1 2.9Å; H531-E551 IonicContact ND1-OE2 3.03Å; H531-E551 PolarHBondContact ND1-OE2 3.48Å; R544-E551 VanDerWaalsContact CZ-CB 3.48Å; R544-E551 IonicContact CZ-OE2 2.81Å; R544-E551 IonicContact NE-OE1 2.65Å; R544-E551 IonicContact NE-OE2 3.12Å; R544-E551 PolarHBondContact NE-OE2 3.46Å; R544-E551 IonicContact NH2-OE2 2.66Å; R544-E551 PolarHBondContact NH2-OE2 3.02Å; V546-E551 HydrophobicContact CG2-CG 4.43Å
552	S	84.1	Confident	88.3	Confident	43 Å²	43	59.2 Å²	59.2	30%	0.301	31%	0.312	S	S	.	.			trans	-64.9	146.3	177.4	-175.7	0	0	0	0	112.7	R544 Q545 E554	R544-S552 WeakPolarHBondContact CD-O 3.15Å; R544-S552 PolarHBondContact NH1-O 3.4Å; Q545-S552 WeakPolarHBondContact O-CB 3.38Å; Q545-S552 PolarHBondContact O-N 2.84Å; S552-E554 VanDerWaalsContact C-N 3.27Å; S552-E554 PolarHBondContact OG-N 3.44Å; S552-E554 VanDerWaalsContact OG-N 3.09Å
553	D	81.8	Confident	88.3	Confident	155 Å²	155	57.1 Å²	57.1	83%	0.829	30%	0.3	S	S	*	.	S	Bend	trans	-74.3	-17	167.8	-73.4	-40.2	0	0	0	112.5	V555	D553-V555 PolarHBondContact O-N 2.83Å; D553-V555 VanDerWaalsContact O-N 3.11Å
554	E	84.9	Confident	88.1	Confident	107 Å²	107	57.6 Å²	57.6	50%	0.5	30%	0.303	S	S	.	.			trans	-75.7	99	174.9	-170	178.8	172.1	0	0	110.8	R544 S552	R544-E554 WeakPolarHBondContact CB-O 3.44Å; S552-E554 VanDerWaalsContact C-N 3.27Å; S552-E554 PolarHBondContact OG-N 3.44Å; S552-E554 VanDerWaalsContact OG-N 3.09Å
555	V	88.4	Confident	87.9	Confident	65 Å²	65	57.1 Å²	57.1	39%	0.394	30%	0.303	S	S	.	.			trans	-84.7	122.5	164	-179.1	0	0	0	0	109	I533 R544 D553	I533-V555 HydrophobicContact CD1-CB 4.41Å; I533-V555 HydrophobicContact CD1-CG1 3.91Å; I533-V555 HydrophobicContact CD1-CG2 3.6Å; R544-V555 HydrophobicContact CB-CG2 4.49Å; D553-V555 PolarHBondContact O-N 2.83Å; D553-V555 VanDerWaalsContact O-N 3.11Å
556	G	90.2	Very high	87.7	Confident	3 Å²	3	60.5 Å²	60.5	3%	0.031	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	-171.8	176.3	0	0	0	0	0	112.6	Q520 Q542 A543	Q520-G556 CarbonylContact O-C 3.51Å; Q520-G556 WeakPolarHBondContact O-CA 3.35Å; Q542-G556 WeakPolarHBondContact CA-O 3.24Å; A543-G556 PolarHBondContact N-O 2.93Å; A543-G556 PolarHBondContact O-N 3.37Å; A543-G556 VanDerWaalsContact O-O 3.06Å
557	V	92.1	Very high	87.5	Confident	20 Å²	20	65 Å²	65	12%	0.121	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	133	-177.4	-170.7	0	0	0	0	110.7	P518 Q520 G521 L522 W540 W541	P518-V557 HydrophobicContact CG-CB 4.48Å; P518-V557 HydrophobicContact CG-CG1 3.92Å; Q520-V557 PolarHBondContact O-N 2.79Å; G521-V557 CarbonylContact C-O 3.55Å; G521-V557 VanDerWaalsContact CA-O 3.3Å; G521-V557 WeakPolarHBondContact CA-O 3.41Å; L522-V557 PolarHBondContact N-O 2.84Å; W540-V557 HydrophobicContact CB-CG1 3.7Å; W540-V557 HydrophobicContact CD2-CG1 4.2Å; W540-V557 HydrophobicContact CE3-CG1 3.81Å; W540-V557 HydrophobicContact CG-CG1 4.19Å; W541-V557 CarbonylContact O-C 3.5Å; W541-V557 WeakPolarHBondContact O-CA 3.29Å
558	I	94.1	Very high	87.5	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	153	175	65	174.9	0	0	0	110.4	L522 F524 L530 V532 W541 A543 S560 Y632	L522-I558 HydrophobicContact CB-CG2 3.91Å; L522-I558 HydrophobicContact CD2-CG2 4.15Å; L522-I558 HydrophobicContact CG-CG2 4.49Å; F524-I558 HydrophobicContact CD1-CG2 3.88Å; F524-I558 HydrophobicContact CE1-CB 3.82Å; F524-I558 HydrophobicContact CE1-CG2 3.57Å; L530-I558 HydrophobicContact CD1-CD1 3.84Å; V532-I558 HydrophobicContact CG2-CD1 4.32Å; W541-I558 HydrophobicContact CB-CD1 4.48Å; W541-I558 HydrophobicContact CB-CG1 3.89Å; W541-I558 PolarHBondContact N-O 3.44Å; W541-I558 PolarHBondContact O-N 2.83Å; A543-I558 HydrophobicContact CB-CD1 3.62Å; A543-I558 HydrophobicContact CB-CG1 3.98Å; A543-I558 HydrophobicContact CB-CG2 4.37Å; I558-S560 PolarHBondContact O-N 3.47Å; I558-Y632 HydrophobicContact CD1-CE1 4.22Å
559	P	93.9	Very high	87.9	Confident	5 Å²	5	63.7 Å²	63.7	3%	0.032	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	137.2	173.7	-23.1	34	0	0	0	111.1	Y509 W540 R563 V564 Y632	Y509-P559 HydrophobicContact CD1-CG 4.35Å; Y509-P559 HydrophobicContact CD2-CG 3.69Å; Y509-P559 HydrophobicContact CE1-CG 4.1Å; Y509-P559 HydrophobicContact CE2-CG 3.4Å; Y509-P559 VanDerWaalsContact CE2-CG 3.4Å; Y509-P559 HydrophobicContact CG-CG 4.17Å; W540-P559 HydrophobicContact CH2-CG 4.5Å; W540-P559 HydrophobicContact CZ3-CB 4.21Å; W540-P559 HydrophobicContact CZ3-CG 3.82Å; P559-R563 HydrophobicContact CB-CG 4.43Å; P559-V564 HydrophobicContact CB-CG2 3.75Å; P559-Y632 VanDerWaalsContact O-CE2 3.23Å; P559-Y632 WeakPolarHBondContact O-CE2 3.46Å; P559-Y632 PolarHBondContact O-OH 3.42Å
560	S	92	Very high	88.2	Confident	1 Å²	1	58.4 Å²	58.4	1%	0.007	29%	0.291	C	S	.	.			trans	-62.7	154	172.9	78.3	0	0	0	0	111.2	D538 E539 I558 R562 R563 V564	D538-S560 PolarHBondContact O-OG 3.04Å; E539-S560 WeakPolarHBondContact CA-OG 3.14Å; E539-S560 PolarHBondContact O-N 2.82Å; I558-S560 PolarHBondContact O-N 3.47Å; S560-R562 PolarHBondContact O-N 3.35Å; S560-R562 PolarHBondContact OG-N 2.92Å; S560-R563 PolarHBondContact O-N 2.92Å; S560-R563 VanDerWaalsContact O-N 3.09Å; S560-R563 WeakPolarHBondContact OG-CB 3.2Å; S560-R563 PolarHBondContact OG-N 2.98Å; S560-V564 WeakPolarHBondContact O-CG2 3.41Å; S560-V564 PolarHBondContact O-N 2.81Å
561	K	91.1	Very high	88.3	Confident	44 Å²	44	63 Å²	63	19%	0.191	30%	0.298	C	S	.	.	H	α-helix	trans	-48.7	-45.4	170.1	176.4	175.1	170.6	179.5	0	111.6	W541 R563 V564 E565 Y632 L833	W541-K561 HydrophobicContact CH2-CB 3.38Å; W541-K561 HydrophobicContact CZ2-CB 3.87Å; W541-K561 HydrophobicContact CZ3-CB 4.05Å; K561-R563 PolarHBondContact O-N 3.14Å; K561-V564 PolarHBondContact O-N 2.96Å; K561-E565 WeakPolarHBondContact CE-OE1 3.41Å; K561-E565 HydrophobicContact CG-CG 4.39Å; K561-E565 VanDerWaalsContact O-CB 3.28Å; K561-E565 WeakPolarHBondContact O-CB 3.45Å; K561-E565 WeakPolarHBondContact O-CG 3.32Å; K561-E565 PolarHBondContact O-N 2.93Å; K561-Y632 HydrophobicContact CB-CD2 3.96Å; K561-L833 HydrophobicContact CD-CB 3.73Å; K561-L833 HydrophobicContact CD-CD1 4.43Å; K561-L833 PolarHBondContact NZ-O 3.23Å
562	R	89.6	Confident	87.9	Confident	155 Å²	155	61.8 Å²	61.8	59%	0.585	29%	0.294	S	S	*	.	H	α-helix	trans	-63.7	-38.6	-179.1	-168.5	179.2	-179	178.9	-10.5	112.7	D538 S560 K566	D538-R562 WeakPolarHBondContact OD1-CD 3.38Å; D538-R562 IonicContact OD1-CZ 2.65Å; D538-R562 IonicContact OD1-NE 3.57Å; D538-R562 IonicContact OD1-NH1 2.67Å; D538-R562 PolarHBondContact OD1-NH1 2.81Å; D538-R562 IonicContact OD2-CZ 2.64Å; D538-R562 IonicContact OD2-NH1 3.34Å; D538-R562 PolarHBondContact OD2-NH1 3.41Å; S560-R562 PolarHBondContact O-N 3.35Å; S560-R562 PolarHBondContact OG-N 2.92Å; R562-K566 WeakPolarHBondContact O-CB 3.18Å; R562-K566 PolarHBondContact O-N 2.66Å
563	R	90.6	Very high	87.6	Confident	45 Å²	45	66.9 Å²	66.9	17%	0.17	31%	0.311	C	S	.	.	H	α-helix	trans	-65.5	-48.6	174.6	177.3	175.1	177	88.6	-4.2	111.6	D514 E539 W540 P559 S560 K561 K566 K567	D514-R563 VanDerWaalsContact CG-NH2 3.32Å; D514-R563 IonicContact OD1-CZ 2.69Å; D514-R563 IonicContact OD1-NH2 3.99Å; D514-R563 PolarHBondContact OD1-NH2 3.45Å; D514-R563 IonicContact OD2-CZ 3.5Å; D514-R563 IonicContact OD2-NE 3.22Å; D514-R563 IonicContact OD2-NH2 2.68Å; D514-R563 PolarHBondContact OD2-NH2 3.45Å; D514-R563 VanDerWaalsContact OD2-NH2 3.14Å; E539-R563 WeakPolarHBondContact O-CD 3.2Å; E539-R563 VanDerWaalsContact OE2-CD 3.31Å; E539-R563 WeakPolarHBondContact OE2-CD 3.42Å; E539-R563 VanDerWaalsContact OE2-CG 3.28Å; E539-R563 WeakPolarHBondContact OE2-CG 3.49Å; E539-R563 IonicContact OE2-CZ 3.66Å; E539-R563 IonicContact OE2-NE 3.27Å; E539-R563 IonicContact OE2-NH1 2.89Å; E539-R563 PolarHBondContact OE2-NH1 2.55Å; W540-R563 VanDerWaalsContact CZ2-NE 3.33Å; P559-R563 HydrophobicContact CB-CG 4.43Å; S560-R563 PolarHBondContact O-N 2.92Å; S560-R563 VanDerWaalsContact O-N 3.09Å; S560-R563 WeakPolarHBondContact OG-CB 3.2Å; S560-R563 PolarHBondContact OG-N 2.98Å; K561-R563 PolarHBondContact O-N 3.14Å; R563-K566 PolarHBondContact O-N 3.12Å; R563-K567 WeakPolarHBondContact O-CB 3.29Å; R563-K567 PolarHBondContact O-N 2.86Å
564	V	90.7	Very high	86.8	Confident	11 Å²	11	64 Å²	64	7%	0.067	30%	0.299	C	S	.	.	H	α-helix	trans	-58.6	-52.9	177.5	178.7	0	0	0	0	110.1	F507 P559 S560 K561 K566 K567 E568 Y632	F507-V564 HydrophobicContact CD1-CG1 4.29Å; F507-V564 HydrophobicContact CE1-CG1 3.98Å; F507-V564 HydrophobicContact CE1-CG2 3.97Å; F507-V564 HydrophobicContact CE2-CG1 4.39Å; F507-V564 HydrophobicContact CE2-CG2 4.09Å; F507-V564 HydrophobicContact CZ-CB 4.4Å; F507-V564 HydrophobicContact CZ-CG1 4.04Å; F507-V564 HydrophobicContact CZ-CG2 3.45Å; F507-V564 VanDerWaalsContact CZ-CG2 3.45Å; P559-V564 HydrophobicContact CB-CG2 3.75Å; S560-V564 WeakPolarHBondContact O-CG2 3.41Å; S560-V564 PolarHBondContact O-N 2.81Å; K561-V564 PolarHBondContact O-N 2.96Å; V564-K566 VanDerWaalsContact C-N 3.31Å; V564-K566 PolarHBondContact O-N 3.27Å; V564-K567 PolarHBondContact O-N 3.25Å; V564-K567 VanDerWaalsContact O-N 3.17Å; V564-E568 PolarHBondContact O-N 2.61Å; V564-Y632 HydrophobicContact CG2-CE2 4.22Å
565	E	90.8	Very high	85.5	Confident	44 Å²	44	62.8 Å²	62.8	21%	0.206	30%	0.298	C	S	.	.	H	α-helix	trans	-59.5	-37.6	179.9	-86	-154.6	-133.6	0	0	113.8	K561 R569 V629	K561-E565 WeakPolarHBondContact CE-OE1 3.41Å; K561-E565 HydrophobicContact CG-CG 4.39Å; K561-E565 VanDerWaalsContact O-CB 3.28Å; K561-E565 WeakPolarHBondContact O-CB 3.45Å; K561-E565 WeakPolarHBondContact O-CG 3.32Å; K561-E565 PolarHBondContact O-N 2.93Å; E565-R569 WeakPolarHBondContact O-CB 3.47Å; E565-R569 PolarHBondContact O-N 2.64Å; E565-R569 PolarHBondContact O-NH1 3.41Å; E565-R569 VanDerWaalsContact O-NH1 3.1Å; E565-R569 IonicContact OE2-CZ 2.73Å; E565-R569 IonicContact OE2-NH1 3.38Å; E565-R569 PolarHBondContact OE2-NH1 3.02Å; E565-R569 IonicContact OE2-NH2 2.78Å; E565-R569 PolarHBondContact OE2-NH2 3.46Å; E565-V629 HydrophobicContact CG-CB 4.15Å; E565-V629 HydrophobicContact CG-CG1 4.25Å
566	K	88.6	Confident	83.8	Confident	129 Å²	129	64.8 Å²	64.8	56%	0.561	30%	0.302	S	S	*	.	H	α-helix	trans	-69	-42.1	176.4	174.1	-179.3	164.5	-167.8	0	111.5	E539 R562 R563 V564 A570	E539-K566 IonicContact OE1-NZ 3.42Å; E539-K566 PolarHBondContact OE1-NZ 3.11Å; R562-K566 WeakPolarHBondContact O-CB 3.18Å; R562-K566 PolarHBondContact O-N 2.66Å; R563-K566 PolarHBondContact O-N 3.12Å; V564-K566 VanDerWaalsContact C-N 3.31Å; V564-K566 PolarHBondContact O-N 3.27Å; K566-A570 WeakPolarHBondContact O-CB 3.26Å; K566-A570 PolarHBondContact O-N 3.03Å; K566-A570 VanDerWaalsContact O-N 3.14Å
567	K	87.9	Confident	81.5	Confident	113 Å²	113	72 Å²	72	49%	0.491	33%	0.333	S	S	.	.	H	α-helix	trans	-66	-49.5	179	-168.4	174.3	-174	176.3	0	111.4	D514 R563 V564 A570 R571	D514-K567 IonicContact OD2-NZ 3.48Å; D514-K567 PolarHBondContact OD2-NZ 2.9Å; R563-K567 WeakPolarHBondContact O-CB 3.29Å; R563-K567 PolarHBondContact O-N 2.86Å; V564-K567 PolarHBondContact O-N 3.25Å; V564-K567 VanDerWaalsContact O-N 3.17Å; K567-A570 WeakPolarHBondContact O-CB 3.31Å; K567-A570 PolarHBondContact O-N 3.48Å; K567-R571 PolarHBondContact O-N 2.89Å
568	E	85.6	Confident	78.8	Confident	56 Å²	56	76.4 Å²	76.4	26%	0.262	36%	0.355	S	S	.	.	H	α-helix	trans	-70.3	-39.9	179.9	-79	-60.3	103.5	0	0	113	V564 A570 R571 L572 V629	V564-E568 PolarHBondContact O-N 2.61Å; E568-A570 PolarHBondContact O-N 3.39Å; E568-R571 VanDerWaalsContact CD-NE 3.27Å; E568-R571 WeakPolarHBondContact O-CB 3.23Å; E568-R571 PolarHBondContact O-N 2.69Å; E568-R571 VanDerWaalsContact O-N 3.12Å; E568-R571 WeakPolarHBondContact OE1-CD 3.38Å; E568-R571 IonicContact OE1-CZ 3.92Å; E568-R571 IonicContact OE1-NE 2.75Å; E568-R571 PolarHBondContact OE1-NE 3.08Å; E568-R571 IonicContact OE2-CZ 3.19Å; E568-R571 IonicContact OE2-NE 3.75Å; E568-R571 PolarHBondContact OE2-NE 2.86Å; E568-R571 IonicContact OE2-NH2 3.93Å; E568-R571 PolarHBondContact OE2-NH2 2.65Å; E568-L572 WeakPolarHBondContact O-CB 3.31Å; E568-L572 WeakPolarHBondContact O-CG 3.26Å; E568-L572 PolarHBondContact O-N 2.76Å; E568-V629 HydrophobicContact CB-CG1 3.52Å; E568-V629 HydrophobicContact CG-CG1 4.27Å
569	R	85.8	Confident	76.1	Confident	85 Å²	85	80.9 Å²	80.9	32%	0.321	39%	0.387	S	S	.	.	H	α-helix	trans	-67.7	-18.3	174.5	-166.5	177.5	-73	112.6	-16.5	112.9	E565 K573	E565-R569 WeakPolarHBondContact O-CB 3.47Å; E565-R569 PolarHBondContact O-N 2.64Å; E565-R569 PolarHBondContact O-NH1 3.41Å; E565-R569 VanDerWaalsContact O-NH1 3.1Å; E565-R569 IonicContact OE2-CZ 2.73Å; E565-R569 IonicContact OE2-NH1 3.38Å; E565-R569 PolarHBondContact OE2-NH1 3.02Å; E565-R569 IonicContact OE2-NH2 2.78Å; E565-R569 PolarHBondContact OE2-NH2 3.46Å; R569-K573 WeakPolarHBondContact O-CD 3.21Å; R569-K573 VanDerWaalsContact O-CG 3.31Å; R569-K573 WeakPolarHBondContact O-CG 3.29Å
570	A	83.6	Confident	73.3	Confident	51 Å²	51	89.4 Å²	89.4	42%	0.421	42%	0.423	S	S	.	.	H	α-helix	trans	-78.3	-49.7	165.7	0	0	0	0	0	111.2	K566 K567 E568 L572 K573 T574	K566-A570 WeakPolarHBondContact O-CB 3.26Å; K566-A570 PolarHBondContact O-N 3.03Å; K566-A570 VanDerWaalsContact O-N 3.14Å; K567-A570 WeakPolarHBondContact O-CB 3.31Å; K567-A570 PolarHBondContact O-N 3.48Å; E568-A570 PolarHBondContact O-N 3.39Å; A570-L572 VanDerWaalsContact C-N 3.31Å; A570-L572 PolarHBondContact O-N 3.11Å; A570-K573 WeakPolarHBondContact O-CB 3.43Å; A570-K573 PolarHBondContact O-N 3.3Å; A570-T574 PolarHBondContact O-N 3.29Å; A570-T574 PolarHBondContact O-OG1 3.38Å
571	R	83.3	Confident	70.6	Confident	128 Å²	128	94.4 Å²	94.4	48%	0.483	45%	0.454	S	S	.	.	H	α-helix	trans	-53.2	-45.8	177.5	-169.3	-176.3	67.7	79.2	1.7	112.5	K567 E568 K573 T574 V575	K567-R571 PolarHBondContact O-N 2.89Å; E568-R571 VanDerWaalsContact CD-NE 3.27Å; E568-R571 WeakPolarHBondContact O-CB 3.23Å; E568-R571 PolarHBondContact O-N 2.69Å; E568-R571 VanDerWaalsContact O-N 3.12Å; E568-R571 WeakPolarHBondContact OE1-CD 3.38Å; E568-R571 IonicContact OE1-CZ 3.92Å; E568-R571 IonicContact OE1-NE 2.75Å; E568-R571 PolarHBondContact OE1-NE 3.08Å; E568-R571 IonicContact OE2-CZ 3.19Å; E568-R571 IonicContact OE2-NE 3.75Å; E568-R571 PolarHBondContact OE2-NE 2.86Å; E568-R571 IonicContact OE2-NH2 3.93Å; E568-R571 PolarHBondContact OE2-NH2 2.65Å; R571-K573 VanDerWaalsContact C-N 3.31Å; R571-K573 PolarHBondContact O-N 3.06Å; R571-T574 PolarHBondContact O-N 2.95Å; R571-V575 WeakPolarHBondContact O-CG2 3.28Å; R571-V575 PolarHBondContact O-N 3.43Å; R571-V575 VanDerWaalsContact O-N 3.08Å
572	L	77	Confident	68.1	Low	38 Å²	38	103.8 Å²	103.8	20%	0.199	49%	0.488	C	S	.	.	H	α-helix	trans	-63.1	-32.1	178.6	-72.1	167.1	0	0	0	113.3	E568 A570 K576 E627	E568-L572 WeakPolarHBondContact O-CB 3.31Å; E568-L572 WeakPolarHBondContact O-CG 3.26Å; E568-L572 PolarHBondContact O-N 2.76Å; A570-L572 VanDerWaalsContact C-N 3.31Å; A570-L572 PolarHBondContact O-N 3.11Å; L572-K576 WeakPolarHBondContact O-CD 3.41Å; L572-K576 VanDerWaalsContact O-CG 3.32Å; L572-K576 WeakPolarHBondContact O-CG 3.44Å; L572-K576 PolarHBondContact O-N 3.26Å; L572-E627 HydrophobicContact CD1-CG 4.19Å
573	K	77.3	Confident	65.3	Low	150 Å²	150	104 Å²	104	65%	0.652	50%	0.501	S	S	*	.	H	α-helix	trans	-68.8	-44.2	174.5	-72.2	171.1	-178.2	-178.6	0	111.4	R569 A570 R571 K576	R569-K573 WeakPolarHBondContact O-CD 3.21Å; R569-K573 VanDerWaalsContact O-CG 3.31Å; R569-K573 WeakPolarHBondContact O-CG 3.29Å; A570-K573 WeakPolarHBondContact O-CB 3.43Å; A570-K573 PolarHBondContact O-N 3.3Å; R571-K573 VanDerWaalsContact C-N 3.31Å; R571-K573 PolarHBondContact O-N 3.06Å; K573-K576 PolarHBondContact O-N 2.98Å
574	T	65.4	Low	62.6	Low	94 Å²	94	111.5 Å²	111.5	58%	0.577	54%	0.535	S	S	*	.	H	α-helix	trans	-64.2	-43.9	179.2	-48.4	0	0	0	0	111.8	A570 R571 K576 F577	A570-T574 PolarHBondContact O-N 3.29Å; A570-T574 PolarHBondContact O-OG1 3.38Å; R571-T574 PolarHBondContact O-N 2.95Å; T574-K576 VanDerWaalsContact C-N 3.27Å; T574-K576 PolarHBondContact O-N 3.43Å; T574-F577 WeakPolarHBondContact O-CB 3.45Å; T574-F577 PolarHBondContact O-N 2.73Å; T574-F577 VanDerWaalsContact O-N 3.11Å
575	V	57.3	Low	59.7	Low	81 Å²	81	114.6 Å²	114.6	49%	0.491	57%	0.569	S	S	.	*	H	α-helix	trans	-60.2	-36.6	179	172.7	0	0	0	0	112.1	R571 F577 N578	R571-V575 WeakPolarHBondContact O-CG2 3.28Å; R571-V575 PolarHBondContact O-N 3.43Å; R571-V575 VanDerWaalsContact O-N 3.08Å; V575-F577 PolarHBondContact O-N 2.97Å; V575-N578 PolarHBondContact O-N 2.92Å
576	K	53.2	Low	56.9	Low	107 Å²	107	121.9 Å²	121.9	47%	0.465	60%	0.603	S	S	.	*	H	α-helix	trans	-71.6	-9.1	179.2	-72.3	171.9	-178.7	179.2	0	114.6	L572 K573 T574 E627	L572-K576 WeakPolarHBondContact O-CD 3.41Å; L572-K576 VanDerWaalsContact O-CG 3.32Å; L572-K576 WeakPolarHBondContact O-CG 3.44Å; L572-K576 PolarHBondContact O-N 3.26Å; K573-K576 PolarHBondContact O-N 2.98Å; T574-K576 VanDerWaalsContact C-N 3.27Å; T574-K576 PolarHBondContact O-N 3.43Å; K576-E627 IonicContact NZ-OE1 2.87Å; K576-E627 PolarHBondContact NZ-OE1 2.61Å; K576-E627 IonicContact NZ-OE2 2.92Å; K576-E627 PolarHBondContact NZ-OE2 3.05Å
577	F	41.9	Very low	54.4	Low	156 Å²	156	122.9 Å²	122.9	68%	0.684	61%	0.613	S	S	*	*	H	α-helix	trans	-83.1	-44.7	171.8	-166.6	-101.8	0	0	0	111.3	T574 V575 S579 K580	T574-F577 WeakPolarHBondContact O-CB 3.45Å; T574-F577 PolarHBondContact O-N 2.73Å; T574-F577 VanDerWaalsContact O-N 3.11Å; V575-F577 PolarHBondContact O-N 2.97Å; F577-S579 VanDerWaalsContact C-N 3.28Å; F577-S579 PolarHBondContact O-N 2.97Å; F577-K580 PolarHBondContact O-N 2.93Å
578	N	36	Very low	52	Low	112 Å²	112	123.4 Å²	123.4	60%	0.599	63%	0.628	S	S	*	*	H	α-helix	trans	-70.1	-19.6	-176.1	-73.3	15.7	0	0	0	114.2	V575 K580 T581	V575-N578 PolarHBondContact O-N 2.92Å; N578-K580 PolarHBondContact O-N 2.83Å; N578-T581 PolarHBondContact O-OG1 3.39Å
579	S	36	Very low	49.5	Very low	94 Å²	94	128 Å²	128	66%	0.657	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.9	5.3	-179.4	66.1	0	0	0	0	114.8	F577	F577-S579 VanDerWaalsContact C-N 3.28Å; F577-S579 PolarHBondContact O-N 2.97Å
580	K	35.9	Very low	46.9	Very low	183 Å²	183	130.6 Å²	130.6	80%	0.796	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.7	1.1	-178	-72.7	-169.7	174.3	-174.2	0	115.2	F577 N578	F577-K580 PolarHBondContact O-N 2.93Å; N578-K580 PolarHBondContact O-N 2.83Å
581	T	35.6	Very low	44.5	Very low	106 Å²	106	135.9 Å²	135.9	65%	0.65	69%	0.692	S	S	*	*	S	Bend	trans	-115.4	21.6	-171.5	48.6	0	0	0	0	114.1	N578	N578-T581 PolarHBondContact O-OG1 3.39Å
582	R	37.2	Very low	41.9	Very low	242 Å²	242	133.3 Å²	133.3	91%	0.913	71%	0.705	S	S	*	*			trans	-137.4	71.6	173.4	-81.1	-170.7	166	-168.7	-4	112.6
583	D	32.3	Very low	39.7	Very low	160 Å²	160	136.4 Å²	136.4	86%	0.856	73%	0.73	S	S	*	*			trans	-153.7	156.2	141.9	-149	-17	0	0	0	110.4
584	K	33.4	Very low	37.7	Very low	202 Å²	202	139.1 Å²	139.1	88%	0.878	74%	0.742	S	S	*	*			trans	73.7	109.3	-163.2	-62.9	-168.2	167.4	-163.3	0	116.3
585	G	29.7	Very low	35.9	Very low	76 Å²	76	138 Å²	138	78%	0.784	75%	0.749	S	S	*	*			trans	-114.1	141.9	150.3	0	0	0	0	0	110
586	E	31.9	Very low	34.6	Very low	196 Å²	196	141.2 Å²	141.2	92%	0.916	76%	0.763	S	S	*	*			trans	-153.9	138.9	163.5	-118.5	168.1	-146.5	0	0	106.7
587	I	36.8	Very low	33.6	Very low	150 Å²	150	144.6 Å²	144.6	77%	0.769	78%	0.778	S	S	*	*			trans	-114.5	138.8	-173.5	-59.6	170.9	0	0	0	108.9
588	P	36.5	Very low	32.9	Very low	124 Å²	124	145.5 Å²	145.5	81%	0.805	78%	0.784	S	S	*	*			trans	-122.9	147	135.6	-0.7	22	0	0	0	112.7
589	D	33.2	Very low	32.5	Very low	154 Å²	154	146.6 Å²	146.6	82%	0.824	79%	0.794	S	S	*	*			trans	-76.2	155.1	177.4	-45.9	-95.4	0	0	0	113.4
590	D	31.2	Very low	32.1	Very low	139 Å²	139	147.5 Å²	147.5	74%	0.743	80%	0.796	S	S	*	*				179.3	163.3	119.6	-160.6	11.4	0	0	0	112.7
591	M	33.8	Very low	31.6	Very low	161 Å²	161	144.2 Å²	144.2	79%	0.793	80%	0.796	S	S	*	*			trans	44.6	87.7	164.8	-64.3	-162.2	-160	0	0	120.8
592	G	27.8	Very low	31.3	Very low	74 Å²	74	147 Å²	147	76%	0.763	81%	0.807	S	S	*	*				75.2	136.9	82.7	0	0	0	0	0	121.6
593	S	32	Very low	30.8	Very low	103 Å²	103	140 Å²	140	72%	0.72	80%	0.801	S	S	*	*			trans	89.5	112.9	156.5	-69.2	0	0	0	0	121.9
594	K	34	Very low	30.6	Very low	207 Å²	207	137.7 Å²	137.7	90%	0.9	80%	0.797	S	S	*	*			trans	73.1	133.6	142.2	-59.1	163.3	-175.9	170.4	0	118.8
595	G	29.2	Very low	30.6	Very low	71 Å²	71	135 Å²	135	73%	0.732	79%	0.793	S	S	*	*			trans	159.6	15.9	139.7	0	0	0	0	0	125.1
596	L	29.8	Very low	30.5	Very low	149 Å²	149	136.7 Å²	136.7	78%	0.78	79%	0.792	S	S	*	*			trans	51.7	129.8	143.5	-174.9	65.4	0	0	0	121.7
597	K	30.4	Very low	30.5	Very low	177 Å²	177	136.5 Å²	136.5	77%	0.77	79%	0.791	S	S	*	*			trans	78.9	93.5	161.3	-73.5	161.4	-174.4	177.4	0	120.2
598	H	27.6	Very low	29.9	Very low	176 Å²	176	134 Å²	134	82%	0.815	79%	0.788	S	S	*	*				22.4	114.7	102	-152.7	-83	0	0	0	118.6
599	V	27.4	Very low	29.4	Very low	135 Å²	135	132.5 Å²	132.5	82%	0.818	78%	0.78	S	S	*	*			trans	-167.1	153.2	134.3	135.4	0	0	0	0	110.4
600	T	28	Very low	29	Very low	113 Å²	113	135.7 Å²	135.7	69%	0.693	78%	0.782	S	S	*	*			trans	-81.4	145.8	-176.7	51	0	0	0	0	114.2
601	S	26.7	Very low	28.8	Very low	114 Å²	114	137.3 Å²	137.3	80%	0.797	79%	0.79	S	S	*	*				158.8	159.7	118.3	55.6	0	0	0	0	114.3
602	N	29	Very low	28.4	Very low	163 Å²	163	135.6 Å²	135.6	87%	0.872	78%	0.782	S	S	*	*			trans	-39.4	135.9	-177.8	-45.5	-13.7	0	0	0	116.9
603	A	26.5	Very low	28.6	Very low	97 Å²	97	140.3 Å²	140.3	80%	0.802	79%	0.789	S	S	*	*			trans	-154.4	127.5	150.6	0	0	0	0	0	112.7
604	S	27.8	Very low	28.3	Very low	110 Å²	110	141.8 Å²	141.8	77%	0.769	79%	0.788	S	S	*	*			trans	34.5	131.7	150.6	-147.9	0	0	0	0	122.2
605	D	34.1	Very low	28.2	Very low	147 Å²	147	138.5 Å²	138.5	79%	0.786	79%	0.785	S	S	*	*			trans	-51.1	148.5	145.8	-92.6	-51.6	0	0	0	111.4
606	S	27.5	Very low	28	Very low	110 Å²	110	142.5 Å²	142.5	77%	0.769	79%	0.789	S	S	*	*			trans	-153.9	63.6	167.4	-77.6	0	0	0	0	110.6	S608	S606-S608 PolarHBondContact O-N 3.34Å
607	E	30.6	Very low	28.1	Very low	192 Å²	192	142.5 Å²	142.5	90%	0.897	79%	0.785	S	S	*	*			trans	-60.3	94.9	165	-88	-88.4	105	0	0	110.5
608	S	24.9	Very low	28.3	Very low	99 Å²	99	144.5 Å²	144.5	69%	0.692	79%	0.79	S	S	*	*			trans	-158.7	142.6	162.5	-172.4	0	0	0	0	112.7	S606	S606-S608 PolarHBondContact O-N 3.34Å
609	S	26	Very low	28.2	Very low	91 Å²	91	139.2 Å²	139.2	64%	0.636	78%	0.783	S	S	*	*			trans	65.4	94.5	158.6	-55.4	0	0	0	0	117.6
610	Y	24.4	Very low	28.2	Very low	222 Å²	222	139 Å²	139	87%	0.871	79%	0.786	S	S	*	*				-153.6	90.8	113.4	-91.4	-62.6	0	0	0	111.1	I612	Y610-I612 PolarHBondContact O-N 3.44Å
611	L	27.1	Very low	28.2	Very low	173 Å²	173	138.9 Å²	138.9	91%	0.906	79%	0.79	S	S	*	*			trans	-77	102.3	160.4	-85.2	171.3	0	0	0	108.5
612	I	25.7	Very low	28.6	Very low	125 Å²	125	142.7 Å²	142.7	64%	0.641	79%	0.792	S	S	*	*			trans	-96.5	111	168.2	-70	-179.9	0	0	0	108.7	Y610 I614	Y610-I612 PolarHBondContact O-N 3.44Å; I612-I614 HydrophobicContact CG2-CD1 3.8Å; I612-I614 HydrophobicContact CG2-CG1 3.76Å
613	L	32.1	Very low	28.5	Very low	173 Å²	173	138.7 Å²	138.7	91%	0.906	79%	0.789	S	S	*	*			trans	-78.1	113.3	165.5	-69	167.5	0	0	0	108.4
614	I	26.5	Very low	28.7	Very low	134 Å²	134	137.8 Å²	137.8	69%	0.687	79%	0.789	S	S	*	*			trans	-122.6	111.8	161.8	-71.2	169.7	0	0	0	107.9	I612 D616	I612-I614 HydrophobicContact CG2-CD1 3.8Å; I612-I614 HydrophobicContact CG2-CG1 3.76Å; I614-D616 HydrophobicContact CG2-CB 4.44Å
615	T	30.6	Very low	28.9	Very low	137 Å²	137	141.5 Å²	141.5	84%	0.84	79%	0.794	S	S	*	*			trans	-71.4	130.4	155.5	46.6	0	0	0	0	108.5
616	D	25.9	Very low	29.6	Very low	155 Å²	155	143.1 Å²	143.1	83%	0.829	80%	0.797	S	S	*	*			trans	-148.3	150.6	156.9	-131.5	-27.9	0	0	0	111.1	I614	I614-D616 HydrophobicContact CG2-CB 4.44Å
617	E	32.3	Very low	31	Very low	149 Å²	149	142.1 Å²	142.1	70%	0.696	78%	0.78	S	S	*	*			trans	-89.5	175	-177.5	-64.5	-167.2	130.2	0	0	112.2
618	Y	32.7	Very low	32.8	Very low	219 Å²	219	139.8 Å²	139.8	86%	0.859	77%	0.765	S	S	*	*			trans	62.2	58.4	168.3	-57.2	-79.9	0	0	0	118
619	G	27.6	Very low	35.6	Very low	65 Å²	65	135.6 Å²	135.6	67%	0.67	74%	0.735	S	S	*	*			trans	-130.3	102.9	162.9	0	0	0	0	0	112.9	S621	G619-S621 VanDerWaalsContact C-N 3.32Å; G619-S621 PolarHBondContact O-N 2.82Å
620	C	26.3	Very low	38.5	Very low	131 Å²	131	134.1 Å²	134.1	89%	0.885	72%	0.719	S	S	*	*			trans	-79.8	77.7	178	-169	0	0	0	0	111.6	K622	C620-K622 PolarHBondContact O-N 3.26Å
621	S	28.8	Very low	41.7	Very low	111 Å²	111	123.6 Å²	123.6	78%	0.776	68%	0.678	S	S	*	*			trans	-64.2	104.3	171.5	-64.9	0	0	0	0	110.4	G619 G623	G619-S621 VanDerWaalsContact C-N 3.32Å; G619-S621 PolarHBondContact O-N 2.82Å; S621-G623 PolarHBondContact O-N 3.47Å
622	K	33.5	Very low	44.9	Very low	194 Å²	194	115.6 Å²	115.6	84%	0.843	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-55.1	137.8	165.1	-68.1	-177.8	178.7	176.9	0	108.6	C620 G624	C620-K622 PolarHBondContact O-N 3.26Å; K622-G624 PolarHBondContact O-N 3.48Å
623	G	28.4	Very low	48.1	Very low	79 Å²	79	111.1 Å²	111.1	81%	0.814	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-50.8	123.6	-168.5	0	0	0	0	0	112.8	S621 Q625	S621-G623 PolarHBondContact O-N 3.47Å; G623-Q625 PolarHBondContact O-N 3.04Å
624	G	29.2	Very low	51	Low	78 Å²	78	104.2 Å²	104.2	80%	0.804	58%	0.578	S	S	*	*	P	Polyproline II helix	trans	-66.2	125.8	176.3	0	0	0	0	0	110.3	K622	K622-G624 PolarHBondContact O-N 3.48Å
625	Q	33.1	Very low	54.2	Low	187 Å²	187	97.9 Å²	97.9	87%	0.874	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-65.9	138.8	153.1	-67.2	-174.7	-42.7	0	0	107.3	G623 E627	G623-Q625 PolarHBondContact O-N 3.04Å; Q625-E627 PolarHBondContact O-N 3.47Å
626	E	48.7	Very low	57.2	Low	181 Å²	181	95.9 Å²	95.9	85%	0.846	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-61.4	124.3	168.3	-67.6	-171.2	114.6	0	0	108	Y628	E626-Y628 PolarHBondContact O-N 2.7Å
627	E	57.5	Low	60.4	Low	89 Å²	89	93.8 Å²	93.8	42%	0.416	52%	0.515	S	S	.	.			trans	-62.4	108.9	-177.5	-172.9	161.2	-128.5	0	0	108.7	L572 K576 Q625 V629	L572-E627 HydrophobicContact CD1-CG 4.19Å; K576-E627 IonicContact NZ-OE1 2.87Å; K576-E627 PolarHBondContact NZ-OE1 2.61Å; K576-E627 IonicContact NZ-OE2 2.92Å; K576-E627 PolarHBondContact NZ-OE2 3.05Å; Q625-E627 PolarHBondContact O-N 3.47Å; E627-V629 WeakPolarHBondContact O-CG2 3.3Å
628	Y	68.4	Low	63.3	Low	144 Å²	144	90.1 Å²	90.1	57%	0.565	50%	0.498	S	S	*	.			trans	-65.1	133.7	-175.6	-177.7	-99.3	0	0	0	110	E626 L630 E795	E626-Y628 PolarHBondContact O-N 2.7Å; Y628-L630 HydrophobicContact CE1-CD2 4.31Å; Y628-E795 HydrophobicContact CE1-CB 4.5Å; Y628-E795 VanDerWaalsContact CE1-OE2 3.25Å; Y628-E795 WeakPolarHBondContact CE1-OE2 3.29Å
629	V	82.9	Confident	66.3	Low	10 Å²	10	85.6 Å²	85.6	6%	0.061	49%	0.485	C	S	.	.			trans	-116.2	116.7	-173.1	-177	0	0	0	0	109.8	E565 E568 E627 S631	E565-V629 HydrophobicContact CG-CB 4.15Å; E565-V629 HydrophobicContact CG-CG1 4.25Å; E568-V629 HydrophobicContact CB-CG1 3.52Å; E568-V629 HydrophobicContact CG-CG1 4.27Å; E627-V629 WeakPolarHBondContact O-CG2 3.3Å; V629-S631 PolarHBondContact O-N 2.76Å; V629-S631 PolarHBondContact O-OG 3Å
630	L	87.3	Confident	69.5	Low	60 Å²	60	83.2 Å²	83.2	31%	0.314	46%	0.457	S	S	.	.			trans	-56.8	125.3	173	-61.3	172.2	0	0	0	109.7	L506 Y628 T794 E795	L506-L630 HydrophobicContact CB-CB 4.18Å; L506-L630 HydrophobicContact CB-CD2 4.28Å; L506-L630 HydrophobicContact CD1-CD2 4.21Å; Y628-L630 HydrophobicContact CE1-CD2 4.31Å; L630-T794 HydrophobicContact CD1-CG2 3.5Å; L630-T794 HydrophobicContact CD2-CG2 4Å; L630-T794 HydrophobicContact CG-CG2 4.41Å; L630-E795 HydrophobicContact CD2-CB 4.24Å
631	S	92.2	Very high	72.7	Confident	2 Å²	2	84.5 Å²	84.5	1%	0.014	46%	0.455	C	S	.	.			trans	-152	-93.4	-179.4	51.1	0	0	0	0	109.5	L506 F507 V629	L506-S631 PolarHBondContact N-O 3.48Å; F507-S631 WeakPolarHBondContact CD1-O 3.17Å; F507-S631 VanDerWaalsContact CE1-O 3.29Å; F507-S631 WeakPolarHBondContact CE1-O 3.39Å; V629-S631 PolarHBondContact O-N 2.76Å; V629-S631 PolarHBondContact O-OG 3Å
632	Y	93.7	Very high	75.9	Confident	4 Å²	4	80.7 Å²	80.7	2%	0.016	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	139.8	178.8	-58.8	-73.7	0	0	0	110.1	V503 F507 F524 L530 W541 I558 P559 K561 V564 L833	V503-Y632 HydrophobicContact CB-CD1 4.34Å; V503-Y632 HydrophobicContact CG2-CD1 3.67Å; V503-Y632 HydrophobicContact CG2-CE1 4.33Å; V503-Y632 HydrophobicContact CG2-CG 4.19Å; F507-Y632 HydrophobicContact CE1-CD1 4.27Å; F507-Y632 AromaticContact CE1-CE1 3.83Å; F507-Y632 HydrophobicContact CE1-CE1 3.83Å; F507-Y632 HydrophobicContact CE1-CE2 4.17Å; F507-Y632 AromaticContact CE1-CZ 3.8Å; F507-Y632 HydrophobicContact CZ-CE1 4.15Å; F507-Y632 HydrophobicContact CZ-CE2 4.34Å; F507-Y632 AromaticContact CZ-CZ 3.81Å; F524-Y632 HydrophobicContact CE2-CE1 4.17Å; F524-Y632 AromaticContact CZ-CE1 3.86Å; F524-Y632 HydrophobicContact CZ-CE1 3.86Å; F524-Y632 WeakPolarHBondContact CZ-OH 3.39Å; L530-Y632 HydrophobicContact CD1-CE1 4.15Å; W541-Y632 HydrophobicContact CE3-CE2 4.36Å; W541-Y632 AromaticContact CZ3-CD2 3.91Å; W541-Y632 HydrophobicContact CZ3-CD2 3.91Å; W541-Y632 HydrophobicContact CZ3-CE2 4.18Å; W541-Y632 HydrophobicContact CZ3-CG 4.5Å; I558-Y632 HydrophobicContact CD1-CE1 4.22Å; P559-Y632 VanDerWaalsContact O-CE2 3.23Å; P559-Y632 WeakPolarHBondContact O-CE2 3.46Å; P559-Y632 PolarHBondContact O-OH 3.42Å; K561-Y632 HydrophobicContact CB-CD2 3.96Å; V564-Y632 HydrophobicContact CG2-CE2 4.22Å; Y632-L833 WeakPolarHBondContact O-CD1 3.39Å
633	E	93.1	Very high	79	Confident	32 Å²	32	73 Å²	73	15%	0.15	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	130.9	169.3	-178.9	-165.5	-113.1	0	0	108.6	V503 R504 L506 V635 P828	V503-E633 CarbonylContact C-O 3.19Å; V503-E633 WeakPolarHBondContact CA-O 3.49Å; R504-E633 HydrophobicContact CB-CB 4.47Å; R504-E633 IonicContact CZ-OE2 3.17Å; R504-E633 PolarHBondContact N-O 3.22Å; R504-E633 IonicContact NE-OE2 2.63Å; R504-E633 PolarHBondContact NE-OE2 2.86Å; R504-E633 IonicContact NH2-OE1 3.07Å; R504-E633 PolarHBondContact NH2-OE1 3.44Å; R504-E633 IonicContact NH2-OE2 2.73Å; R504-E633 PolarHBondContact NH2-OE2 3.4Å; R504-E633 PolarHBondContact O-N 3.36Å; L506-E633 HydrophobicContact CD1-CB 4.24Å; L506-E633 HydrophobicContact CG-CB 4.47Å; E633-V635 WeakPolarHBondContact OE2-CG1 3.21Å; E633-P828 HydrophobicContact CG-CB 4.4Å; E633-P828 WeakPolarHBondContact OE1-CG 3.48Å
634	P	93.3	Very high	82.3	Confident	27 Å²	27	69.8 Å²	69.8	18%	0.175	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	136.7	172.4	28.8	-28.8	0	0	0	109.9	A829 E831 L833	P634-A829 HydrophobicContact CB-CB 4.02Å; P634-A829 HydrophobicContact CG-CB 4.27Å; P634-A829 WeakPolarHBondContact O-CB 3.42Å; P634-A829 PolarHBondContact O-N 3.13Å; P634-E831 WeakPolarHBondContact CG-O 3.4Å; P634-L833 HydrophobicContact CB-CD1 4.29Å; P634-L833 HydrophobicContact CB-CG 3.92Å; P634-L833 HydrophobicContact CG-CD1 4.37Å; P634-L833 HydrophobicContact CG-CG 4.02Å
635	V	93.8	Very high	85.6	Confident	2 Å²	2	66 Å²	66	1%	0.012	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	151.8	-179.9	-68.6	0	0	0	0	111.7	Y502 R504 I529 E633 W826 V827	Y502-V635 PolarHBondContact O-N 3.33Å; R504-V635 HydrophobicContact CB-CG1 3.76Å; R504-V635 HydrophobicContact CB-CG2 4.49Å; I529-V635 HydrophobicContact CD1-CG2 4.37Å; I529-V635 HydrophobicContact CG2-CG2 4.42Å; E633-V635 WeakPolarHBondContact OE2-CG1 3.21Å; V635-W826 HydrophobicContact CB-CB 4.41Å; V635-W826 HydrophobicContact CB-CE3 4.21Å; V635-W826 HydrophobicContact CG2-CB 4.47Å; V635-W826 HydrophobicContact CG2-CD2 4.4Å; V635-W826 HydrophobicContact CG2-CE3 3.7Å; V635-W826 HydrophobicContact CG2-CZ3 4.37Å; V635-V827 CarbonylContact C-O 3.58Å; V635-V827 VanDerWaalsContact CA-O 3.25Å; V635-V827 WeakPolarHBondContact CA-O 3.5Å; V635-V827 WeakPolarHBondContact CB-O 3.35Å
636	N	93.2	Very high	88.7	Confident	95 Å²	95	57.1 Å²	57.1	51%	0.508	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	147.6	169	-71.1	-27.8	0	0	0	109.2	V827	N636-V827 PolarHBondContact N-O 3.11Å; N636-V827 PolarHBondContact O-N 2.89Å
637	Q	92.6	Very high	91.1	Very high	111 Å²	111	48.5 Å²	48.5	52%	0.519	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	136.5	168.9	-155.4	177.1	34.3	0	0	109.5	I825 W826	Q637-I825 CarbonylContact C-O 3.12Å; Q637-I825 WeakPolarHBondContact CA-O 3.16Å; Q637-W826 HydrophobicContact CB-CD2 4.39Å; Q637-W826 HydrophobicContact CB-CE3 4.03Å; Q637-W826 HydrophobicContact CB-CH2 3.86Å; Q637-W826 HydrophobicContact CB-CZ2 4.2Å; Q637-W826 HydrophobicContact CB-CZ3 3.76Å; Q637-W826 HydrophobicContact CG-CD2 4.42Å; Q637-W826 HydrophobicContact CG-CH2 4.28Å; Q637-W826 HydrophobicContact CG-CZ2 4.12Å; Q637-W826 HydrophobicContact CG-CZ3 4.5Å
638	Q	93.6	Very high	93	Very high	72 Å²	72	44.4 Å²	44.4	34%	0.336	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	138.4	178	174.3	171.6	-15	0	0	110	I825 V827	Q638-I825 HydrophobicContact CB-CG1 4.46Å; Q638-I825 PolarHBondContact N-O 2.67Å; Q638-I825 WeakPolarHBondContact O-CG1 3.4Å; Q638-I825 PolarHBondContact O-N 3.22Å; Q638-V827 HydrophobicContact CB-CG1 4.48Å; Q638-V827 HydrophobicContact CB-CG2 4.04Å
639	E	94.9	Very high	94.4	Very high	124 Å²	124	37.9 Å²	37.9	58%	0.579	19%	0.192	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-81.5	137.3	170.6	-162.3	176.9	161.8	0	0	110.8	S823 Y824	E639-S823 CarbonylContact C-O 3.6Å; E639-S823 WeakPolarHBondContact CA-O 3.41Å; E639-Y824 HydrophobicContact CB-CD1 3.95Å; E639-Y824 HydrophobicContact CB-CE1 3.72Å; E639-Y824 HydrophobicContact CG-CD1 4.12Å; E639-Y824 HydrophobicContact CG-CE1 3.69Å; E639-Y824 PolarHBondContact OE2-OH 2.85Å
640	V	94.9	Very high	95.1	Very high	14 Å²	14	38.1 Å²	38.1	9%	0.085	20%	0.196	C	C	.	.			trans	-130	145.2	176.1	-69.3	0	0	0	0	111.6	Y642 S823 I825	V640-Y642 HydrophobicContact CB-CD1 4.12Å; V640-Y642 HydrophobicContact CB-CE1 3.74Å; V640-Y642 HydrophobicContact CG1-CE1 3.71Å; V640-S823 WeakPolarHBondContact CG2-O 3.23Å; V640-S823 PolarHBondContact N-O 2.79Å; V640-I825 HydrophobicContact CG1-CD1 3.56Å; V640-I825 HydrophobicContact CG1-CG1 3.92Å; V640-I825 HydrophobicContact CG2-CD1 4.13Å; V640-I825 HydrophobicContact CG2-CG1 4.09Å; V640-I825 HydrophobicContact CG2-CG2 3.79Å
641	N	94.6	Very high	95.4	Very high	158 Å²	158	35.4 Å²	35.4	85%	0.845	18%	0.182	S	C	*	.	S	Bend	trans	-110	24.8	-174.9	66.3	-28.4	0	0	0	113.1
642	Y	95.8	Very high	95.5	Very high	32 Å²	32	36.6 Å²	36.6	13%	0.125	19%	0.188	C	C	.	.	S	Bend	trans	-141.2	150.8	-179.3	65.1	-96.6	0	0	0	110.4	V640 R644 A729 Q751 L752 Y753	V640-Y642 HydrophobicContact CB-CD1 4.12Å; V640-Y642 HydrophobicContact CB-CE1 3.74Å; V640-Y642 HydrophobicContact CG1-CE1 3.71Å; Y642-R644 HydrophobicContact CE2-CG 4.45Å; Y642-R644 PolarHBondContact O-N 3.08Å; Y642-A729 HydrophobicContact CD2-CB 4.14Å; Y642-Q751 PolarHBondContact OH-O 2.87Å; Y642-L752 HydrophobicContact CD1-CD2 4.42Å; Y642-L752 HydrophobicContact CD2-CD2 4.13Å; Y642-L752 HydrophobicContact CE1-CD2 4.31Å; Y642-L752 HydrophobicContact CE2-CD2 4.05Å; Y642-L752 HydrophobicContact CG-CD2 4.35Å; Y642-Y753 PolarHBondContact OH-N 2.95Å
643	T	97.5	Very high	95.6	Very high	31 Å²	31	38.2 Å²	38.2	19%	0.19	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-77.4	124.2	176.5	-58.1	0	0	0	0	110.5	A729 G732 K733 H734	T643-A729 PolarHBondContact N-O 3.3Å; T643-A729 WeakPolarHBondContact O-CA 3.47Å; T643-A729 WeakPolarHBondContact O-CB 3.43Å; T643-G732 WeakPolarHBondContact CB-O 3.35Å; T643-G732 VanDerWaalsContact OG1-CA 3.32Å; T643-G732 WeakPolarHBondContact OG1-CA 3.37Å; T643-G732 PolarHBondContact OG1-O 2.95Å; T643-K733 VanDerWaalsContact CG2-C 3.49Å; T643-H734 HydrophobicContact CG2-CB 4.26Å
644	R	97.7	Very high	95.7	Very high	12 Å²	12	40.6 Å²	40.6	5%	0.045	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-61.2	134.1	-170.6	-62.9	170.9	75.4	179.5	-5.9	112.7	Y642 H734 Y753 P754 I755 Q820 I825	Y642-R644 HydrophobicContact CE2-CG 4.45Å; Y642-R644 PolarHBondContact O-N 3.08Å; R644-H734 PolarHBondContact O-ND1 3.09Å; R644-Y753 PolarHBondContact NE-O 3.21Å; R644-P754 PolarHBondContact NH2-O 2.85Å; R644-I755 HydrophobicContact CB-CD1 4.06Å; R644-I755 HydrophobicContact CB-CG1 3.91Å; R644-Q820 WeakPolarHBondContact CD-O 3.45Å; R644-Q820 PolarHBondContact NH1-O 2.86Å; R644-I825 HydrophobicContact CG-CG2 4.47Å
645	P	98.2	Very high	95.8	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-60.4	152.7	168.1	-21.8	34	0	0	0	111.7	V725 C735 L737 P754 I755	P645-V725 HydrophobicContact CB-CG1 3.87Å; P645-V725 HydrophobicContact CG-CG1 3.46Å; P645-V725 VanDerWaalsContact CG-CG1 3.46Å; P645-C735 CarbonylContact C-O 3.56Å; P645-C735 WeakPolarHBondContact CA-O 3.18Å; P645-C735 HydrophobicContact CB-CB 4.19Å; P645-L737 HydrophobicContact CB-CD1 3.89Å; P645-P754 HydrophobicContact CB-CB 4.45Å; P645-P754 CarbonylContact O-C 3.55Å; P645-P754 WeakPolarHBondContact O-CA 3.44Å; P645-I755 PolarHBondContact O-N 2.8Å
646	V	98.6	Very high	95.9	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	130.4	178.9	-177.7	0	0	0	0	109.4	I648 H734 C735 I736 L737 I755 I817	V646-I648 HydrophobicContact CG1-CD1 4.3Å; V646-I648 HydrophobicContact CG1-CG1 3.94Å; V646-H734 HydrophobicContact CG2-CB 4Å; V646-C735 PolarHBondContact N-O 3.29Å; V646-I736 HydrophobicContact CB-CD1 3.89Å; V646-I736 HydrophobicContact CG1-CD1 4.25Å; V646-I736 HydrophobicContact CG2-CD1 4.4Å; V646-L737 PolarHBondContact O-N 2.65Å; V646-I755 WeakPolarHBondContact CA-O 3.47Å; V646-I755 HydrophobicContact CG2-CB 4.34Å; V646-I755 HydrophobicContact CG2-CD1 4.29Å; V646-I817 HydrophobicContact CG1-CD1 3.96Å; V646-I817 HydrophobicContact CG1-CG1 4.23Å; V646-I817 HydrophobicContact CG2-CD1 4.37Å; V646-I817 HydrophobicContact CG2-CG1 4.32Å; V646-I817 HydrophobicContact CG2-CG2 4.41Å
647	I	98.4	Very high	96.1	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	123.6	173.7	-72.3	169.4	0	0	0	107.7	L649 L737 V739 A743 I744 L747 P754 I755 S756 I757	I647-L649 HydrophobicContact CG2-CD1 4.07Å; I647-L649 HydrophobicContact CG2-CD2 4.35Å; I647-L649 HydrophobicContact CG2-CG 3.88Å; I647-L737 HydrophobicContact CD1-CD1 4.24Å; I647-L737 HydrophobicContact CG1-CB 3.84Å; I647-L737 HydrophobicContact CG1-CD1 4.05Å; I647-V739 HydrophobicContact CD1-CG2 3.78Å; I647-V739 HydrophobicContact CG1-CG2 3.88Å; I647-A743 HydrophobicContact CD1-CB 4.44Å; I647-I744 HydrophobicContact CD1-CG1 3.82Å; I647-I744 HydrophobicContact CG2-CG1 4.37Å; I647-L747 HydrophobicContact CD1-CD1 3.58Å; I647-P754 HydrophobicContact CD1-CB 4.4Å; I647-I755 PolarHBondContact N-O 2.79Å; I647-S756 WeakPolarHBondContact O-CA 3.47Å; I647-I757 PolarHBondContact O-N 2.67Å
648	I	98.5	Very high	96.2	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.01	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	125.3	177.3	-54.8	-175.6	0	0	0	108.7	V646 K653 I656 L660 I757 I759 V813	V646-I648 HydrophobicContact CG1-CD1 4.3Å; V646-I648 HydrophobicContact CG1-CG1 3.94Å; I648-K653 HydrophobicContact CB-CB 4.29Å; I648-K653 HydrophobicContact CG2-CB 3.86Å; I648-K653 VanDerWaalsContact O-CD 3.31Å; I648-K653 WeakPolarHBondContact O-CD 3.39Å; I648-I656 HydrophobicContact CD1-CG2 3.55Å; I648-L660 HydrophobicContact CD1-CD1 3.87Å; I648-I757 WeakPolarHBondContact CA-O 3.44Å; I648-I759 HydrophobicContact CG2-CD1 3.58Å; I648-I759 HydrophobicContact CG2-CG1 4.14Å; I648-V813 HydrophobicContact CD1-CG1 3.77Å
649	L	97.9	Very high	96.3	Very high	7 Å²	7	39.6 Å²	39.6	4%	0.037	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	149.3	-176.2	-67.4	169.3	0	0	0	110.6	I647 I744 I757 F758 I759 F797	I647-L649 HydrophobicContact CG2-CD1 4.07Å; I647-L649 HydrophobicContact CG2-CD2 4.35Å; I647-L649 HydrophobicContact CG2-CG 3.88Å; L649-I744 HydrophobicContact CD1-CD1 4.12Å; L649-I757 PolarHBondContact N-O 3Å; L649-F758 HydrophobicContact CB-CD2 4.12Å; L649-F758 CarbonylContact O-C 3.55Å; L649-F758 WeakPolarHBondContact O-CA 3.36Å; L649-I759 PolarHBondContact O-N 2.63Å; L649-F797 HydrophobicContact CD1-CE1 3.82Å
650	G	96.5	Very high	96.5	Very high	15 Å²	15	33.7 Å²	33.7	16%	0.155	17%	0.171	C	C	.	.	S	Bend	trans	108.9	-166.9	-178.4	0	0	0	0	0	113.3
651	P	95.3	Very high	96.4	Very high	3 Å²	3	35.2 Å²	35.2	2%	0.019	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	152.5	177.4	-17.2	31.5	0	0	0	111.9	K653 I759 P761 I767 T782 A786	P651-K653 PolarHBondContact O-N 2.89Å; P651-I759 WeakPolarHBondContact CD-O 3.13Å; P651-I759 VanDerWaalsContact O-CD1 3.3Å; P651-I759 WeakPolarHBondContact O-CD1 3.1Å; P651-P761 HydrophobicContact CG-CB 4.14Å; P651-P761 HydrophobicContact CG-CG 4.02Å; P651-I767 HydrophobicContact CB-CG1 4.43Å; P651-I767 HydrophobicContact CG-CD1 4.14Å; P651-I767 HydrophobicContact CG-CG1 4.17Å; P651-T782 HydrophobicContact CB-CG2 4.19Å; P651-T782 HydrophobicContact CG-CG2 4.19Å; P651-A786 HydrophobicContact CG-CB 4.48Å
652	M	93.9	Very high	96.5	Very high	28 Å²	28	31.8 Å²	31.8	14%	0.138	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	6.4	174.7	-54.1	-60.2	99.3	0	0	116.9	D654 R655 I656 M770 N771 L806	M652-D654 PolarHBondContact O-N 3.47Å; M652-D654 VanDerWaalsContact O-N 3.08Å; M652-R655 PolarHBondContact O-N 2.98Å; M652-I656 PolarHBondContact O-N 2.89Å; M652-M770 HydrophobicContact CG-CB 4.35Å; M652-M770 HydrophobicContact CG-SD 4.43Å; M652-N771 HydrophobicContact CE-CB 3.89Å; M652-N771 HydrophobicContact SD-CB 3.75Å; M652-L806 HydrophobicContact CB-CD1 3.61Å; M652-L806 HydrophobicContact CG-CD1 4.01Å
653	K	95.3	Very high	96.5	Very high	38 Å²	38	35 Å²	35	17%	0.165	18%	0.183	C	C	.	.	H	α-helix	trans	-49.6	-38.3	178.7	71.3	172.4	178.9	69.8	0	113.4	I648 P651 I656 N657 D738	I648-K653 HydrophobicContact CB-CB 4.29Å; I648-K653 HydrophobicContact CG2-CB 3.86Å; I648-K653 VanDerWaalsContact O-CD 3.31Å; I648-K653 WeakPolarHBondContact O-CD 3.39Å; P651-K653 PolarHBondContact O-N 2.89Å; K653-I656 PolarHBondContact O-N 3.08Å; K653-N657 WeakPolarHBondContact O-CB 3.5Å; K653-N657 PolarHBondContact O-N 3.43Å; K653-N657 PolarHBondContact O-ND2 3.02Å; K653-N657 PolarHBondContact O-OD1 2.91Å; K653-D738 IonicContact NZ-OD1 2.77Å; K653-D738 PolarHBondContact NZ-OD1 2.79Å; K653-D738 IonicContact NZ-OD2 3.47Å
654	D	94.4	Very high	96.5	Very high	82 Å²	82	36.6 Å²	36.6	44%	0.439	19%	0.187	S	C	.	.	H	α-helix	trans	-67.1	-49.5	-172.1	-50.1	-64.8	0	0	0	110.7	M652 I656 N657 D658	M652-D654 PolarHBondContact O-N 3.47Å; M652-D654 VanDerWaalsContact O-N 3.08Å; D654-I656 VanDerWaalsContact C-N 3.32Å; D654-I656 PolarHBondContact O-N 2.8Å; D654-N657 WeakPolarHBondContact O-CB 3.5Å; D654-N657 PolarHBondContact O-N 2.97Å; D654-D658 PolarHBondContact O-N 2.9Å
655	R	95.1	Very high	96.4	Very high	120 Å²	120	39.3 Å²	39.3	45%	0.453	21%	0.206	S	C	.	.	H	α-helix	trans	-62.1	-39.5	175.5	175.8	167.2	168.4	-159.7	-7.6	111.7	M652 D658 D659 L806	M652-R655 PolarHBondContact O-N 2.98Å; R655-D658 PolarHBondContact O-N 2.97Å; R655-D659 VanDerWaalsContact CG-OD2 3.26Å; R655-D659 WeakPolarHBondContact CG-OD2 3.37Å; R655-D659 IonicContact NE-OD2 2.74Å; R655-D659 PolarHBondContact NE-OD2 3.43Å; R655-D659 VanDerWaalsContact O-CB 3.23Å; R655-D659 WeakPolarHBondContact O-CB 3.4Å; R655-D659 PolarHBondContact O-N 3.11Å; R655-L806 HydrophobicContact CG-CD2 4.23Å; R655-L806 VanDerWaalsContact CZ-CD2 3.47Å
656	I	97.1	Very high	96.3	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-66.5	-39.5	177.3	-69.9	165.3	0	0	0	111.3	I648 M652 K653 D654 L660 I759 L806 I809 Y810 V813	I648-I656 HydrophobicContact CD1-CG2 3.55Å; M652-I656 PolarHBondContact O-N 2.89Å; K653-I656 PolarHBondContact O-N 3.08Å; D654-I656 VanDerWaalsContact C-N 3.32Å; D654-I656 PolarHBondContact O-N 2.8Å; I656-L660 HydrophobicContact CG2-CD1 4.11Å; I656-L660 HydrophobicContact CG2-CG 4.44Å; I656-L660 WeakPolarHBondContact O-CB 3.28Å; I656-L660 VanDerWaalsContact O-CG 3.23Å; I656-L660 WeakPolarHBondContact O-CG 3.44Å; I656-L660 PolarHBondContact O-N 3.33Å; I656-I759 HydrophobicContact CD1-CD1 3.43Å; I656-I759 VanDerWaalsContact CD1-CD1 3.43Å; I656-L806 HydrophobicContact CD1-CD1 3.79Å; I656-L806 HydrophobicContact CG1-CD1 4.02Å; I656-I809 HydrophobicContact CD1-CG2 3.75Å; I656-Y810 HydrophobicContact CB-CD2 4.43Å; I656-Y810 HydrophobicContact CG1-CD2 4.17Å; I656-Y810 HydrophobicContact CG2-CD2 4.03Å; I656-Y810 HydrophobicContact CG2-CE2 4.41Å; I656-V813 HydrophobicContact CG2-CG1 3.94Å
657	N	96.9	Very high	96.2	Very high	9 Å²	9	50.1 Å²	50.1	5%	0.048	26%	0.26	C	S	.	.	H	α-helix	trans	-61	-48.5	173.9	-71.9	-17.6	0	0	0	111.1	K653 D654 L660 I661 I736	K653-N657 WeakPolarHBondContact O-CB 3.5Å; K653-N657 PolarHBondContact O-N 3.43Å; K653-N657 PolarHBondContact O-ND2 3.02Å; K653-N657 PolarHBondContact O-OD1 2.91Å; D654-N657 WeakPolarHBondContact O-CB 3.5Å; D654-N657 PolarHBondContact O-N 2.97Å; N657-L660 PolarHBondContact O-N 3.02Å; N657-I661 WeakPolarHBondContact O-CD1 3.29Å; N657-I661 VanDerWaalsContact O-CG1 3.28Å; N657-I661 WeakPolarHBondContact O-CG1 3.46Å; N657-I661 PolarHBondContact O-N 2.85Å; N657-I661 VanDerWaalsContact O-N 3.11Å; N657-I736 HydrophobicContact CB-CG2 3.75Å; N657-I736 WeakPolarHBondContact OD1-CG2 3.41Å
658	D	94.8	Very high	96.2	Very high	105 Å²	105	50.6 Å²	50.6	56%	0.561	26%	0.262	S	S	*	.	H	α-helix	trans	-63.4	-44.8	178.4	-67.8	-25.7	0	0	0	112	D654 R655 I661 S662	D654-D658 PolarHBondContact O-N 2.9Å; R655-D658 PolarHBondContact O-N 2.97Å; D658-I661 PolarHBondContact O-N 3.08Å; D658-S662 VanDerWaalsContact O-CB 3.31Å; D658-S662 WeakPolarHBondContact O-CB 3.45Å; D658-S662 PolarHBondContact O-N 2.91Å; D658-S662 PolarHBondContact O-OG 3.35Å
659	D	96.9	Very high	96	Very high	52 Å²	52	51.1 Å²	51.1	28%	0.278	27%	0.268	S	S	.	.	H	α-helix	trans	-64.3	-40.4	178.4	-71.9	-22.9	0	0	0	110.5	R655 S662 E663 Y810	R655-D659 VanDerWaalsContact CG-OD2 3.26Å; R655-D659 WeakPolarHBondContact CG-OD2 3.37Å; R655-D659 IonicContact NE-OD2 2.74Å; R655-D659 PolarHBondContact NE-OD2 3.43Å; R655-D659 VanDerWaalsContact O-CB 3.23Å; R655-D659 WeakPolarHBondContact O-CB 3.4Å; R655-D659 PolarHBondContact O-N 3.11Å; D659-S662 PolarHBondContact O-OG 3.26Å; D659-E663 VanDerWaalsContact O-CB 3.23Å; D659-E663 WeakPolarHBondContact O-CB 3.5Å; D659-E663 PolarHBondContact O-N 3.28Å; D659-Y810 VanDerWaalsContact C-OH 3.31Å; D659-Y810 HydrophobicContact CB-CD2 4.43Å; D659-Y810 HydrophobicContact CB-CE2 3.67Å; D659-Y810 PolarHBondContact O-OH 3.01Å
660	L	97.3	Very high	95.9	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-63.5	-45	174.9	-74.3	170.8	0	0	0	113	I648 I656 N657 F664 F668 I736 Y810 V813 K814 I817	I648-L660 HydrophobicContact CD1-CD1 3.87Å; I656-L660 HydrophobicContact CG2-CD1 4.11Å; I656-L660 HydrophobicContact CG2-CG 4.44Å; I656-L660 WeakPolarHBondContact O-CB 3.28Å; I656-L660 VanDerWaalsContact O-CG 3.23Å; I656-L660 WeakPolarHBondContact O-CG 3.44Å; I656-L660 PolarHBondContact O-N 3.33Å; N657-L660 PolarHBondContact O-N 3.02Å; L660-F664 PolarHBondContact O-N 3.12Å; L660-F668 HydrophobicContact CB-CD2 4.23Å; L660-F668 HydrophobicContact CB-CE2 4.39Å; L660-F668 HydrophobicContact CB-CG 4.33Å; L660-F668 HydrophobicContact CD1-CE1 4.49Å; L660-F668 HydrophobicContact CD2-CE1 4.46Å; L660-F668 HydrophobicContact CD2-CE2 3.96Å; L660-F668 HydrophobicContact CD2-CZ 3.88Å; L660-F668 WeakPolarHBondContact O-CD2 3.44Å; L660-I736 HydrophobicContact CD1-CD1 4.09Å; L660-Y810 HydrophobicContact CD2-CE2 3.96Å; L660-Y810 HydrophobicContact CG-CE2 3.95Å; L660-V813 HydrophobicContact CD1-CG1 4.15Å; L660-K814 HydrophobicContact CD2-CD 4.26Å; L660-K814 HydrophobicContact CD2-CG 3.72Å; L660-I817 HydrophobicContact CD1-CD1 3.85Å; L660-I817 HydrophobicContact CD2-CD1 4.39Å
661	I	94.7	Very high	95.9	Very high	46 Å²	46	54.5 Å²	54.5	24%	0.236	29%	0.29	C	S	.	.	H	α-helix	trans	-69.4	-35.9	-178.4	-65.1	162.7	0	0	0	111	N657 D658 P665 F668 S670 I736	N657-I661 WeakPolarHBondContact O-CD1 3.29Å; N657-I661 VanDerWaalsContact O-CG1 3.28Å; N657-I661 WeakPolarHBondContact O-CG1 3.46Å; N657-I661 PolarHBondContact O-N 2.85Å; N657-I661 VanDerWaalsContact O-N 3.11Å; D658-I661 PolarHBondContact O-N 3.08Å; I661-P665 WeakPolarHBondContact O-CA 3.5Å; I661-F668 HydrophobicContact CG1-CB 4.35Å; I661-S670 WeakPolarHBondContact CD1-OG 3.35Å; I661-I736 HydrophobicContact CD1-CB 4.06Å; I661-I736 HydrophobicContact CD1-CG1 4.11Å; I661-I736 HydrophobicContact CD1-CG2 4.17Å; I661-I736 HydrophobicContact CG1-CB 4.35Å; I661-I736 HydrophobicContact CG1-CG1 3.84Å
662	S	95.5	Very high	95.9	Very high	85 Å²	85	56 Å²	56	59%	0.594	30%	0.298	S	S	*	.	H	α-helix	trans	-85.2	-34.3	-177.4	61	0	0	0	0	114.4	D658 D659	D658-S662 VanDerWaalsContact O-CB 3.31Å; D658-S662 WeakPolarHBondContact O-CB 3.45Å; D658-S662 PolarHBondContact O-N 2.91Å; D658-S662 PolarHBondContact O-OG 3.35Å; D659-S662 PolarHBondContact O-OG 3.26Å
663	E	96.9	Very high	96	Very high	101 Å²	101	56.3 Å²	56.3	47%	0.472	30%	0.303	S	S	.	.	H	α-helix	trans	-73.9	-36.1	174.3	-165.4	-174.9	157.7	0	0	111.3	D659 Y810 K814	D659-E663 VanDerWaalsContact O-CB 3.23Å; D659-E663 WeakPolarHBondContact O-CB 3.5Å; D659-E663 PolarHBondContact O-N 3.28Å; E663-Y810 VanDerWaalsContact OE2-CE1 3.24Å; E663-Y810 WeakPolarHBondContact OE2-CE1 3.47Å; E663-Y810 PolarHBondContact OE2-OH 3.09Å; E663-K814 VanDerWaalsContact CD-NZ 3.32Å; E663-K814 IonicContact OE1-NZ 2.66Å; E663-K814 PolarHBondContact OE1-NZ 3.49Å; E663-K814 IonicContact OE2-NZ 2.76Å; E663-K814 PolarHBondContact OE2-NZ 2.73Å
664	F	96.7	Very high	96.1	Very high	64 Å²	64	56.3 Å²	56.3	28%	0.281	30%	0.303	S	S	.	.			trans	-133.1	61	-174.4	-53.7	-80	0	0	0	113.9	L660 D666 K667 F668 K814	L660-F664 PolarHBondContact O-N 3.12Å; F664-D666 PolarHBondContact O-N 3.15Å; F664-K667 HydrophobicContact CB-CB 4.15Å; F664-K667 PolarHBondContact O-N 2.84Å; F664-F668 HydrophobicContact CB-CD2 3.77Å; F664-F668 HydrophobicContact CB-CE2 3.95Å; F664-F668 HydrophobicContact CD2-CE2 4.28Å; F664-F668 HydrophobicContact CG-CE2 4.43Å; F664-F668 PolarHBondContact O-N 3.3Å; F664-K814 HydrophobicContact CD2-CD 4.47Å; F664-K814 HydrophobicContact CE2-CD 3.6Å; F664-K814 HydrophobicContact CZ-CD 4.31Å
665	P	95.6	Very high	96.3	Very high	69 Å²	69	52.4 Å²	52.4	45%	0.448	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-14.3	-176.7	26.7	-36.6	0	0	0	114.3	I661 K733	I661-P665 WeakPolarHBondContact O-CA 3.5Å; P665-K733 PolarHBondContact O-NZ 2.58Å
666	D	95.8	Very high	96.4	Very high	136 Å²	136	47.6 Å²	47.6	73%	0.727	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-24.2	173.5	-71.1	-41.1	0	0	0	114.3	F664 K733	F664-D666 PolarHBondContact O-N 3.15Å; D666-K733 VanDerWaalsContact O-CE 3.24Å; D666-K733 WeakPolarHBondContact O-CE 3.17Å; D666-K733 IonicContact OD1-NZ 3.49Å
667	K	97.1	Very high	96.3	Very high	91 Å²	91	48.7 Å²	48.7	40%	0.396	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-32.3	173.6	-72.6	-171.2	175.4	-177.7	0	112.7	F664 K733 H734 E818	F664-K667 HydrophobicContact CB-CB 4.15Å; F664-K667 PolarHBondContact O-N 2.84Å; K667-K733 CarbonylContact O-C 3.57Å; K667-K733 WeakPolarHBondContact O-CA 3.26Å; K667-H734 PolarHBondContact O-N 3.49Å; K667-E818 IonicContact NZ-OE1 3.9Å; K667-E818 PolarHBondContact NZ-OE1 2.71Å; K667-E818 IonicContact NZ-OE2 3.67Å
668	F	98.1	Very high	96.2	Very high	10 Å²	10	52.8 Å²	52.8	4%	0.044	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	162.2	-173	-60	-82.5	0	0	0	113.2	L660 I661 F664 H734 I736 I817	L660-F668 HydrophobicContact CB-CD2 4.23Å; L660-F668 HydrophobicContact CB-CE2 4.39Å; L660-F668 HydrophobicContact CB-CG 4.33Å; L660-F668 HydrophobicContact CD1-CE1 4.49Å; L660-F668 HydrophobicContact CD2-CE1 4.46Å; L660-F668 HydrophobicContact CD2-CE2 3.96Å; L660-F668 HydrophobicContact CD2-CZ 3.88Å; L660-F668 WeakPolarHBondContact O-CD2 3.44Å; I661-F668 HydrophobicContact CG1-CB 4.35Å; F664-F668 HydrophobicContact CB-CD2 3.77Å; F664-F668 HydrophobicContact CB-CE2 3.95Å; F664-F668 HydrophobicContact CD2-CE2 4.28Å; F664-F668 HydrophobicContact CG-CE2 4.43Å; F664-F668 PolarHBondContact O-N 3.3Å; F668-H734 WeakPolarHBondContact CA-O 3Å; F668-H734 HydrophobicContact CD1-CB 3.39Å; F668-H734 HydrophobicContact CE1-CB 3.63Å; F668-H734 AromaticContact CE1-CG 3.99Å; F668-H734 HydrophobicContact CG-CB 4.34Å; F668-I736 HydrophobicContact CB-CG1 4.15Å; F668-I736 HydrophobicContact CD1-CD1 3.46Å; F668-I736 VanDerWaalsContact CD1-CD1 3.46Å; F668-I736 HydrophobicContact CD1-CG1 4.01Å; F668-I736 HydrophobicContact CE1-CD1 4.07Å; F668-I736 HydrophobicContact CG-CD1 4.29Å; F668-I736 HydrophobicContact CG-CG1 4.43Å; F668-I817 HydrophobicContact CE1-CD1 4.07Å; F668-I817 HydrophobicContact CE1-CG2 4Å; F668-I817 HydrophobicContact CZ-CD1 4.25Å; F668-I817 HydrophobicContact CZ-CG2 4.04Å
669	G	95.2	Very high	96.3	Very high	13 Å²	13	52.4 Å²	52.4	13%	0.134	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.7	161.4	167.3	0	0	0	0	0	112.6	H734 C735 I736	G669-H734 PolarHBondContact N-O 3.45Å; G669-C735 CarbonylContact O-C 3.54Å; G669-C735 WeakPolarHBondContact O-CA 3.32Å; G669-I736 PolarHBondContact O-N 2.66Å
670	S	95.7	Very high	96.2	Very high	79 Å²	79	55.6 Å²	55.6	55%	0.552	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.8	142.7	173.2	-54.1	0	0	0	0	110.8	I661	I661-S670 WeakPolarHBondContact CD1-OG 3.35Å
671	C	95.1	Very high	96	Very high	14 Å²	14	63.4 Å²	63.4	10%	0.095	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-79.1	149.4	167.5	59	0	0	0	0	111.5	P673 T720 S724 V728 L737	C671-P673 WeakPolarHBondContact O-CD 3.49Å; C671-T720 WeakPolarHBondContact SG-CG2 3.34Å; C671-S724 WeakPolarHBondContact CB-O 3.27Å; C671-V728 HydrophobicContact CB-CG2 4Å; C671-L737 VanDerWaalsContact SG-CD2 3.5Å
672	V	95.5	Very high	95.9	Very high	33 Å²	33	69 Å²	69	20%	0.2	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-79.1	119.1	177	-176.9	0	0	0	0	110.2	R687 H690 S724	V672-R687 WeakPolarHBondContact CG2-O 3.43Å; V672-H690 PolarHBondContact O-CD2 3.24Å; V672-S724 WeakPolarHBondContact O-CB 3.49Å; V672-S724 PolarHBondContact O-OG 3.18Å; V672-S724 VanDerWaalsContact O-OG 3.14Å
673	P	96.1	Very high	95.8	Very high	36 Å²	36	65.4 Å²	65.4	23%	0.234	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-74.9	162.5	178.2	30.9	-34.4	0	0	0	111.8	C671 Y689 H690	C671-P673 WeakPolarHBondContact O-CD 3.49Å; P673-Y689 HydrophobicContact CB-CD1 4.21Å; P673-Y689 HydrophobicContact CB-CE1 4.28Å; P673-Y689 HydrophobicContact CG-CD1 3.67Å; P673-Y689 HydrophobicContact CG-CE1 3.64Å; P673-Y689 HydrophobicContact CG-CG 4.47Å; P673-Y689 CarbonylContact O-C 3.46Å; P673-Y689 WeakPolarHBondContact O-CA 3.43Å; P673-H690 PolarHBondContact O-N 3.38Å
674	H	97.6	Very high	95.7	Very high	38 Å²	38	63.8 Å²	63.8	18%	0.176	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	149.9	173.7	-67	39.5	0	0	0	110.9	H690 V692 M698 F707 Y718 G719 S724	H674-H690 WeakPolarHBondContact CA-O 3.06Å; H674-H690 HydrophobicContact CB-CB 4.47Å; H674-H690 AromaticContact CE1-CD2 3.4Å; H674-H690 PolarHBondContact CE1-CD2 2.87Å; H674-H690 AromaticContact CE1-CG 3.77Å; H674-H690 AromaticContact ND1-CD2 3.51Å; H674-H690 AromaticContact ND1-CG 3.95Å; H674-V692 HydrophobicContact CB-CG2 4.07Å; H674-M698 HydrophobicContact CB-CE 3.95Å; H674-M698 HydrophobicContact CB-SD 4.41Å; H674-F707 HydrophobicContact CB-CE1 3.9Å; H674-F707 HydrophobicContact CB-CZ 4.03Å; H674-F707 AromaticContact CD2-CZ 3.87Å; H674-F707 AromaticContact CG-CE1 3.98Å; H674-F707 AromaticContact CG-CZ 3.94Å; H674-Y718 WeakPolarHBondContact O-CA 3.17Å; H674-G719 PolarHBondContact N-O 3.15Å; H674-G719 PolarHBondContact O-N 3.44Å; H674-S724 PolarHBondContact CE1-OG 2.87Å; H674-S724 VanDerWaalsContact CE1-OG 3.3Å
675	T	97.6	Very high	95.6	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	150.2	167.6	-172.4	0	0	0	0	112.9	R677 Y689 H690 F691 V692 L717 Y718	T675-R677 VanDerWaalsContact C-N 3.31Å; T675-R677 HydrophobicContact CG2-CB 4Å; T675-R677 WeakPolarHBondContact OG1-CB 3.36Å; T675-R677 PolarHBondContact OG1-N 2.78Å; T675-R677 VanDerWaalsContact OG1-N 3.08Å; T675-Y689 HydrophobicContact CG2-CD1 3.69Å; T675-Y689 HydrophobicContact CG2-CD2 4.41Å; T675-Y689 HydrophobicContact CG2-CE1 4.48Å; T675-Y689 HydrophobicContact CG2-CG 3.68Å; T675-H690 PolarHBondContact N-O 3.43Å; T675-F691 HydrophobicContact CG2-CD1 3.63Å; T675-F691 HydrophobicContact CG2-CE1 3.77Å; T675-V692 PolarHBondContact O-N 3.03Å; T675-L717 CarbonylContact C-O 3.18Å; T675-L717 WeakPolarHBondContact CA-O 3.42Å; T675-L717 WeakPolarHBondContact CB-O 3.3Å; T675-L717 PolarHBondContact OG1-O 3.17Å; T675-Y718 HydrophobicContact CG2-CE1 4.4Å; T675-Y718 WeakPolarHBondContact OG1-CD1 3.27Å; T675-Y718 WeakPolarHBondContact OG1-CE1 3.38Å
676	T	97.3	Very high	95.3	Very high	19 Å²	19	63.9 Å²	63.9	12%	0.117	34%	0.339	C	S	.	.	S	Bend	trans	-89.2	5	167.8	72.2	0	0	0	0	112.8	R695 M698 H716 L717	T676-R695 HydrophobicContact CG2-CB 4.14Å; T676-R695 HydrophobicContact CG2-CG 4.33Å; T676-M698 HydrophobicContact CG2-CB 3.98Å; T676-M698 HydrophobicContact CG2-CG 4.38Å; T676-M698 HydrophobicContact CG2-SD 3.63Å; T676-H716 PolarHBondContact O-CD2 2.73Å; T676-L717 HydrophobicContact CG2-CB 3.91Å; T676-L717 HydrophobicContact CG2-CD1 4.36Å; T676-L717 HydrophobicContact CG2-CG 4.34Å; T676-L717 PolarHBondContact N-O 2.73Å; T676-L717 PolarHBondContact OG1-N 2.92Å
677	R	96.7	Very high	95.1	Very high	23 Å²	23	64.2 Å²	64.2	9%	0.087	33%	0.331	C	S	.	.	S	Bend	trans	-71.2	138.3	174.3	-176.8	-175.9	50.3	84.7	-13	109.9	T675 K679 E683 F691 H716 Y718	T675-R677 VanDerWaalsContact C-N 3.31Å; T675-R677 HydrophobicContact CG2-CB 4Å; T675-R677 WeakPolarHBondContact OG1-CB 3.36Å; T675-R677 PolarHBondContact OG1-N 2.78Å; T675-R677 VanDerWaalsContact OG1-N 3.08Å; R677-K679 PolarHBondContact O-N 3.45Å; R677-E683 IonicContact CZ-OE1 3.61Å; R677-E683 IonicContact CZ-OE2 3.34Å; R677-E683 IonicContact NH1-OE1 3.09Å; R677-E683 PolarHBondContact NH1-OE1 3.2Å; R677-E683 IonicContact NH1-OE2 3.53Å; R677-E683 PolarHBondContact NH1-OE2 3.43Å; R677-E683 VanDerWaalsContact NH2-CD 3.32Å; R677-E683 IonicContact NH2-OE1 3.48Å; R677-E683 PolarHBondContact NH2-OE1 3.45Å; R677-E683 IonicContact NH2-OE2 3.43Å; R677-E683 PolarHBondContact NH2-OE2 2.81Å; R677-E683 VanDerWaalsContact NH2-OE2 3.17Å; R677-F691 VanDerWaalsContact O-CD1 3.28Å; R677-F691 WeakPolarHBondContact O-CD1 3.33Å; R677-H716 WeakPolarHBondContact CA-CD2 3.49Å; R677-H716 HydrophobicContact CB-CB 3.91Å; R677-Y718 VanDerWaalsContact CD-OH 3.29Å; R677-Y718 WeakPolarHBondContact CD-OH 3.33Å; R677-Y718 PolarHBondContact NE-OH 3.38Å
678	P	94.4	Very high	94.8	Very high	95 Å²	95	62.1 Å²	62.1	62%	0.617	32%	0.324	S	S	*	.	P	Polyproline II helix	trans	-55.3	136.8	168.4	-26.5	35.5	0	0	0	112.7
679	K	96.4	Very high	94.7	Very high	97 Å²	97	64.8 Å²	64.8	42%	0.422	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-61.2	134.6	173.3	-169	-171.5	83.4	63.5	0	110.4	R677 E683 F691	R677-K679 PolarHBondContact O-N 3.45Å; K679-E683 VanDerWaalsContact CD-O 3.29Å; K679-E683 WeakPolarHBondContact CD-O 3.33Å; K679-E683 WeakPolarHBondContact CE-O 3.21Å; K679-E683 HydrophobicContact CG-CB 3.86Å; K679-E683 PolarHBondContact NZ-O 2.8Å; K679-F691 HydrophobicContact CB-CD1 3.9Å; K679-F691 HydrophobicContact CB-CD2 3.9Å; K679-F691 HydrophobicContact CB-CE1 3.99Å; K679-F691 HydrophobicContact CB-CE2 4.04Å; K679-F691 HydrophobicContact CB-CG 3.83Å; K679-F691 HydrophobicContact CB-CZ 4.06Å; K679-F691 HydrophobicContact CD-CD2 4.07Å; K679-F691 HydrophobicContact CD-CE2 4.05Å; K679-F691 HydrophobicContact CG-CD1 4.44Å; K679-F691 HydrophobicContact CG-CD2 3.77Å; K679-F691 HydrophobicContact CG-CE1 4.2Å; K679-F691 HydrophobicContact CG-CE2 3.53Å; K679-F691 HydrophobicContact CG-CG 4.23Å; K679-F691 HydrophobicContact CG-CZ 3.73Å
680	R	94	Very high	94.8	Very high	118 Å²	118	66.7 Å²	66.7	45%	0.445	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-82.8	165.8	170.8	-59.6	169.9	-177.4	132.1	-16.1	111	Y682 E683	R680-Y682 VanDerWaalsContact C-N 3.3Å; R680-Y682 HydrophobicContact CB-CD1 4.12Å; R680-Y682 HydrophobicContact CB-CE1 3.84Å; R680-Y682 VanDerWaalsContact CD-CZ 3.49Å; R680-Y682 WeakPolarHBondContact CD-OH 3.26Å; R680-Y682 HydrophobicContact CG-CE1 4.36Å; R680-Y682 PolarHBondContact NH1-OH 3.32Å; R680-Y682 PolarHBondContact O-N 3.34Å; R680-E683 HydrophobicContact CB-CB 4.45Å; R680-E683 HydrophobicContact CB-CG 3.98Å; R680-E683 WeakPolarHBondContact CB-OE2 3.46Å; R680-E683 WeakPolarHBondContact CD-OE1 3.42Å; R680-E683 WeakPolarHBondContact CG-OE2 3.13Å; R680-E683 IonicContact CZ-OE1 2.82Å; R680-E683 PolarHBondContact N-OE2 2.57Å; R680-E683 IonicContact NE-OE1 2.71Å; R680-E683 IonicContact NH1-OE1 3.64Å; R680-E683 PolarHBondContact NH1-OE1 2.96Å; R680-E683 PolarHBondContact O-N 3.25Å; R680-E683 VanDerWaalsContact O-N 3.12Å
681	D	93.1	Very high	94.9	Very high	164 Å²	164	64.6 Å²	64.6	88%	0.877	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-38	-174.6	-53.9	-41.1	0	0	0	112.9
682	Y	93.6	Very high	94.9	Very high	163 Å²	163	65.6 Å²	65.6	64%	0.639	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-8.2	178.5	64.8	-96.2	0	0	0	114.8	R680	R680-Y682 VanDerWaalsContact C-N 3.3Å; R680-Y682 HydrophobicContact CB-CD1 4.12Å; R680-Y682 HydrophobicContact CB-CE1 3.84Å; R680-Y682 VanDerWaalsContact CD-CZ 3.49Å; R680-Y682 WeakPolarHBondContact CD-OH 3.26Å; R680-Y682 HydrophobicContact CG-CE1 4.36Å; R680-Y682 PolarHBondContact NH1-OH 3.32Å; R680-Y682 PolarHBondContact O-N 3.34Å
683	E	94.1	Very high	94.7	Very high	11 Å²	11	71.2 Å²	71.2	5%	0.051	36%	0.36	C	S	.	.			trans	-90.2	148.4	-178.5	-67	172.6	160.7	0	0	111.3	R677 K679 R680 D688 F691	R677-E683 IonicContact CZ-OE1 3.61Å; R677-E683 IonicContact CZ-OE2 3.34Å; R677-E683 IonicContact NH1-OE1 3.09Å; R677-E683 PolarHBondContact NH1-OE1 3.2Å; R677-E683 IonicContact NH1-OE2 3.53Å; R677-E683 PolarHBondContact NH1-OE2 3.43Å; R677-E683 VanDerWaalsContact NH2-CD 3.32Å; R677-E683 IonicContact NH2-OE1 3.48Å; R677-E683 PolarHBondContact NH2-OE1 3.45Å; R677-E683 IonicContact NH2-OE2 3.43Å; R677-E683 PolarHBondContact NH2-OE2 2.81Å; R677-E683 VanDerWaalsContact NH2-OE2 3.17Å; K679-E683 VanDerWaalsContact CD-O 3.29Å; K679-E683 WeakPolarHBondContact CD-O 3.33Å; K679-E683 WeakPolarHBondContact CE-O 3.21Å; K679-E683 HydrophobicContact CG-CB 3.86Å; K679-E683 PolarHBondContact NZ-O 2.8Å; R680-E683 HydrophobicContact CB-CB 4.45Å; R680-E683 HydrophobicContact CB-CG 3.98Å; R680-E683 WeakPolarHBondContact CB-OE2 3.46Å; R680-E683 WeakPolarHBondContact CD-OE1 3.42Å; R680-E683 WeakPolarHBondContact CG-OE2 3.13Å; R680-E683 IonicContact CZ-OE1 2.82Å; R680-E683 PolarHBondContact N-OE2 2.57Å; R680-E683 IonicContact NE-OE1 2.71Å; R680-E683 IonicContact NH1-OE1 3.64Å; R680-E683 PolarHBondContact NH1-OE1 2.96Å; R680-E683 PolarHBondContact O-N 3.25Å; R680-E683 VanDerWaalsContact O-N 3.12Å; E683-D688 WeakPolarHBondContact CA-OD2 3.33Å; E683-F691 HydrophobicContact CB-CE2 4.41Å; E683-F691 HydrophobicContact CB-CZ 3.96Å
684	V	94.4	Very high	94.7	Very high	67 Å²	67	71.5 Å²	71.5	41%	0.406	36%	0.363	S	S	.	.			trans	-120.7	125.9	-178.3	177.3	0	0	0	0	109.8	R687 D688	V684-R687 HydrophobicContact CB-CB 4.07Å; V684-R687 HydrophobicContact CG1-CB 4.04Å; V684-R687 PolarHBondContact O-N 3.24Å; V684-D688 PolarHBondContact N-OD2 2.88Å; V684-D688 PolarHBondContact O-N 3.34Å
685	D	94	Very high	94.6	Very high	95 Å²	95	73.1 Å²	73.1	51%	0.508	37%	0.368	S	S	.	.	B	Isolated β-bridge	trans	-65.9	138	176.2	-173.9	53.6	0	0	0	111	R687 Y689 H690 F691	D685-R687 PolarHBondContact O-N 3.1Å; D685-Y689 WeakPolarHBondContact CA-O 3.41Å; D685-H690 WeakPolarHBondContact OD1-CA 3.4Å; D685-F691 HydrophobicContact CB-CD2 3.85Å; D685-F691 HydrophobicContact CB-CE2 4.48Å; D685-F691 WeakPolarHBondContact OD1-CD2 3.42Å; D685-F691 PolarHBondContact OD1-N 2.98Å
686	G	90.1	Very high	94.6	Very high	39 Å²	39	79.1 Å²	79.1	40%	0.402	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.6	7.1	-173.7	0	0	0	0	0	115	Y689	G686-Y689 PolarHBondContact N-O 3.19Å
687	R	90.8	Very high	94.5	Very high	144 Å²	144	81.9 Å²	81.9	54%	0.543	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.7	-56.7	168	-172.3	-166.6	71.5	-163.3	-6.2	111.7	V672 V684 D685	V672-R687 WeakPolarHBondContact CG2-O 3.43Å; V684-R687 HydrophobicContact CB-CB 4.07Å; V684-R687 HydrophobicContact CG1-CB 4.04Å; V684-R687 PolarHBondContact O-N 3.24Å; D685-R687 PolarHBondContact O-N 3.1Å
688	D	91.4	Very high	94.5	Very high	46 Å²	46	80.9 Å²	80.9	25%	0.246	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-44.6	-174.5	-53.1	-37.5	0	0	0	110.7	E683 V684	E683-D688 WeakPolarHBondContact CA-OD2 3.33Å; V684-D688 PolarHBondContact N-OD2 2.88Å; V684-D688 PolarHBondContact O-N 3.34Å
689	Y	96.6	Very high	94.6	Very high	67 Å²	67	79.7 Å²	79.7	26%	0.263	39%	0.39	S	S	.	.	B	Isolated β-bridge	trans	-146.8	162.9	167.2	-66.7	-95.1	0	0	0	109.4	P673 T675 D685 G686 F691 Y718	P673-Y689 HydrophobicContact CB-CD1 4.21Å; P673-Y689 HydrophobicContact CB-CE1 4.28Å; P673-Y689 HydrophobicContact CG-CD1 3.67Å; P673-Y689 HydrophobicContact CG-CE1 3.64Å; P673-Y689 HydrophobicContact CG-CG 4.47Å; P673-Y689 CarbonylContact O-C 3.46Å; P673-Y689 WeakPolarHBondContact O-CA 3.43Å; T675-Y689 HydrophobicContact CG2-CD1 3.69Å; T675-Y689 HydrophobicContact CG2-CD2 4.41Å; T675-Y689 HydrophobicContact CG2-CE1 4.48Å; T675-Y689 HydrophobicContact CG2-CG 3.68Å; D685-Y689 WeakPolarHBondContact CA-O 3.41Å; G686-Y689 PolarHBondContact N-O 3.19Å; Y689-F691 HydrophobicContact CD2-CE1 4.18Å; Y689-F691 AromaticContact CD2-CZ 3.95Å; Y689-F691 HydrophobicContact CD2-CZ 3.95Å; Y689-F691 HydrophobicContact CG-CE1 4.27Å; Y689-F691 HydrophobicContact CG-CZ 4.23Å; Y689-F691 WeakPolarHBondContact O-CD2 3.42Å; Y689-F691 WeakPolarHBondContact O-CE2 3.29Å; Y689-Y718 HydrophobicContact CD1-CD1 4.38Å; Y689-Y718 AromaticContact CE1-CD1 3.7Å; Y689-Y718 HydrophobicContact CE1-CD1 3.7Å; Y689-Y718 AromaticContact CE1-CE1 3.92Å; Y689-Y718 HydrophobicContact CE1-CE1 3.92Å
690	H	96.6	Very high	94.6	Very high	53 Å²	53	79.8 Å²	79.8	25%	0.245	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	116.7	152.6	-62.4	-80.9	0	0	0	108.8	V672 P673 H674 T675 D685 V692	V672-H690 PolarHBondContact O-CD2 3.24Å; P673-H690 PolarHBondContact O-N 3.38Å; H674-H690 WeakPolarHBondContact CA-O 3.06Å; H674-H690 HydrophobicContact CB-CB 4.47Å; H674-H690 AromaticContact CE1-CD2 3.4Å; H674-H690 PolarHBondContact CE1-CD2 2.87Å; H674-H690 AromaticContact CE1-CG 3.77Å; H674-H690 AromaticContact ND1-CD2 3.51Å; H674-H690 AromaticContact ND1-CG 3.95Å; T675-H690 PolarHBondContact N-O 3.43Å; D685-H690 WeakPolarHBondContact OD1-CA 3.4Å; H690-V692 PolarHBondContact O-N 3.26Å
691	F	96.8	Very high	94.7	Very high	34 Å²	34	75.5 Å²	75.5	15%	0.149	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	93.7	-172.8	-66.5	-78	0	0	0	111.4	T675 R677 K679 E683 D685 Y689 T693	T675-F691 HydrophobicContact CG2-CD1 3.63Å; T675-F691 HydrophobicContact CG2-CE1 3.77Å; R677-F691 VanDerWaalsContact O-CD1 3.28Å; R677-F691 WeakPolarHBondContact O-CD1 3.33Å; K679-F691 HydrophobicContact CB-CD1 3.9Å; K679-F691 HydrophobicContact CB-CD2 3.9Å; K679-F691 HydrophobicContact CB-CE1 3.99Å; K679-F691 HydrophobicContact CB-CE2 4.04Å; K679-F691 HydrophobicContact CB-CG 3.83Å; K679-F691 HydrophobicContact CB-CZ 4.06Å; K679-F691 HydrophobicContact CD-CD2 4.07Å; K679-F691 HydrophobicContact CD-CE2 4.05Å; K679-F691 HydrophobicContact CG-CD1 4.44Å; K679-F691 HydrophobicContact CG-CD2 3.77Å; K679-F691 HydrophobicContact CG-CE1 4.2Å; K679-F691 HydrophobicContact CG-CE2 3.53Å; K679-F691 HydrophobicContact CG-CG 4.23Å; K679-F691 HydrophobicContact CG-CZ 3.73Å; E683-F691 HydrophobicContact CB-CE2 4.41Å; E683-F691 HydrophobicContact CB-CZ 3.96Å; D685-F691 HydrophobicContact CB-CD2 3.85Å; D685-F691 HydrophobicContact CB-CE2 4.48Å; D685-F691 WeakPolarHBondContact OD1-CD2 3.42Å; D685-F691 PolarHBondContact OD1-N 2.98Å; Y689-F691 HydrophobicContact CD2-CE1 4.18Å; Y689-F691 AromaticContact CD2-CZ 3.95Å; Y689-F691 HydrophobicContact CD2-CZ 3.95Å; Y689-F691 HydrophobicContact CG-CE1 4.27Å; Y689-F691 HydrophobicContact CG-CZ 4.23Å; Y689-F691 WeakPolarHBondContact O-CD2 3.42Å; Y689-F691 WeakPolarHBondContact O-CE2 3.29Å; F691-T693 PolarHBondContact O-N 2.93Å
692	V	95.8	Very high	94.8	Very high	35 Å²	35	69.8 Å²	69.8	21%	0.212	35%	0.346	C	S	.	.			trans	-80.1	117.2	-172.7	-170.5	0	0	0	0	111.2	H674 T675 H690 M698	H674-V692 HydrophobicContact CB-CG2 4.07Å; T675-V692 PolarHBondContact O-N 3.03Å; H690-V692 PolarHBondContact O-N 3.26Å; V692-M698 HydrophobicContact CG1-CB 4.26Å; V692-M698 HydrophobicContact CG2-SD 4.32Å
693	T	92.1	Very high	94.8	Very high	151 Å²	151	68.9 Å²	68.9	93%	0.926	35%	0.347	S	S	*	.	S	Bend	trans	-73.4	-30.4	-172.3	-34.8	0	0	0	0	114.6	F691	F691-T693 PolarHBondContact O-N 2.93Å
694	S	95.7	Very high	94.9	Very high	43 Å²	43	72.9 Å²	72.9	30%	0.301	37%	0.366	S	S	.	.			trans	-106.1	121.5	175.7	166	0	0	0	0	110.2	E696 Q697 M698	S694-E696 VanDerWaalsContact C-N 3.32Å; S694-E696 PolarHBondContact OG-N 3.06Å; S694-E696 PolarHBondContact OG-OE2 2.82Å; S694-Q697 PolarHBondContact OG-N 2.72Å; S694-M698 PolarHBondContact O-N 3.03Å
695	R	95.5	Very high	94.8	Very high	71 Å²	71	76.6 Å²	76.6	27%	0.268	38%	0.378	S	S	.	.	H	α-helix	trans	-67.4	-38.9	173.7	177.1	178.4	164.6	125.3	10.5	110.8	T676 Q697 M698 E699 N715 L717	T676-R695 HydrophobicContact CG2-CB 4.14Å; T676-R695 HydrophobicContact CG2-CG 4.33Å; R695-Q697 VanDerWaalsContact C-N 3.31Å; R695-Q697 PolarHBondContact O-N 3.49Å; R695-M698 PolarHBondContact O-N 3.49Å; R695-M698 VanDerWaalsContact O-N 3.15Å; R695-E699 HydrophobicContact CG-CG 4.35Å; R695-E699 IonicContact CZ-OE1 2.84Å; R695-E699 IonicContact NE-OE1 2.79Å; R695-E699 PolarHBondContact NE-OE1 3.44Å; R695-E699 IonicContact NH2-OE1 2.77Å; R695-E699 PolarHBondContact NH2-OE1 2.81Å; R695-E699 WeakPolarHBondContact O-CG 3.47Å; R695-E699 PolarHBondContact O-N 2.83Å; R695-N715 PolarHBondContact NH1-O 2.85Å; R695-L717 HydrophobicContact CG-CD1 3.88Å; R695-L717 HydrophobicContact CG-CG 4.33Å
696	E	96.5	Very high	94.9	Very high	127 Å²	127	76.2 Å²	76.2	59%	0.593	37%	0.372	S	S	*	.	H	α-helix	trans	-61.3	-40.7	-178.6	-51.4	69.3	-150.3	0	0	110.9	S694 E699 K700	S694-E696 VanDerWaalsContact C-N 3.32Å; S694-E696 PolarHBondContact OG-N 3.06Å; S694-E696 PolarHBondContact OG-OE2 2.82Å; E696-E699 PolarHBondContact O-N 2.86Å; E696-K700 WeakPolarHBondContact O-CB 3.49Å; E696-K700 PolarHBondContact O-N 2.99Å
697	Q	95.6	Very high	95.2	Very high	77 Å²	77	74.6 Å²	74.6	36%	0.36	35%	0.354	S	S	.	.	H	α-helix	trans	-66.6	-43.5	174.5	-177.7	52.8	47.8	0	0	111.5	S694 R695 E699 K700 D701	S694-Q697 PolarHBondContact OG-N 2.72Å; R695-Q697 VanDerWaalsContact C-N 3.31Å; R695-Q697 PolarHBondContact O-N 3.49Å; Q697-E699 PolarHBondContact O-N 3.03Å; Q697-K700 WeakPolarHBondContact O-CB 3.42Å; Q697-K700 PolarHBondContact O-N 3.49Å; Q697-D701 PolarHBondContact NE2-OD1 3.44Å; Q697-D701 PolarHBondContact NE2-OD2 2.92Å; Q697-D701 VanDerWaalsContact O-CG 3.31Å; Q697-D701 PolarHBondContact O-N 2.93Å; Q697-D701 VanDerWaalsContact O-OD2 3.13Å
698	M	96.9	Very high	95.5	Very high	1 Å²	1	67.8 Å²	67.8	1%	0.005	33%	0.328	C	S	.	.	H	α-helix	trans	-64.9	-38.8	175.4	-170.5	168.4	176.1	0	0	112.3	H674 T676 V692 S694 R695 K700 D701 I702 F707 L717	H674-M698 HydrophobicContact CB-CE 3.95Å; H674-M698 HydrophobicContact CB-SD 4.41Å; T676-M698 HydrophobicContact CG2-CB 3.98Å; T676-M698 HydrophobicContact CG2-CG 4.38Å; T676-M698 HydrophobicContact CG2-SD 3.63Å; V692-M698 HydrophobicContact CG1-CB 4.26Å; V692-M698 HydrophobicContact CG2-SD 4.32Å; S694-M698 PolarHBondContact O-N 3.03Å; R695-M698 PolarHBondContact O-N 3.49Å; R695-M698 VanDerWaalsContact O-N 3.15Å; M698-K700 VanDerWaalsContact C-N 3.32Å; M698-K700 PolarHBondContact O-N 3.49Å; M698-D701 PolarHBondContact O-N 3.19Å; M698-I702 HydrophobicContact CE-CD1 4.46Å; M698-I702 HydrophobicContact CG-CD1 4.09Å; M698-I702 WeakPolarHBondContact O-CD1 3.44Å; M698-I702 WeakPolarHBondContact O-CG1 3.07Å; M698-I702 PolarHBondContact O-N 3.46Å; M698-F707 HydrophobicContact CE-CD1 4.48Å; M698-F707 HydrophobicContact CE-CE1 3.82Å; M698-F707 HydrophobicContact CE-CZ 3.87Å; M698-F707 HydrophobicContact CG-CE2 4.29Å; M698-F707 HydrophobicContact CG-CZ 4.24Å; M698-L717 HydrophobicContact CB-CD1 4.44Å; M698-L717 HydrophobicContact CE-CB 4.17Å; M698-L717 HydrophobicContact CG-CD1 4.41Å; M698-L717 HydrophobicContact SD-CB 3.92Å
699	E	97.2	Very high	95.7	Very high	71 Å²	71	68.1 Å²	68.1	33%	0.332	33%	0.329	S	S	.	.	H	α-helix	trans	-62.9	-38	173.7	-71.9	-176.4	173.7	0	0	112.2	R695 E696 Q697 Q703 L717	R695-E699 HydrophobicContact CG-CG 4.35Å; R695-E699 IonicContact CZ-OE1 2.84Å; R695-E699 IonicContact NE-OE1 2.79Å; R695-E699 PolarHBondContact NE-OE1 3.44Å; R695-E699 IonicContact NH2-OE1 2.77Å; R695-E699 PolarHBondContact NH2-OE1 2.81Å; R695-E699 WeakPolarHBondContact O-CG 3.47Å; R695-E699 PolarHBondContact O-N 2.83Å; E696-E699 PolarHBondContact O-N 2.86Å; Q697-E699 PolarHBondContact O-N 3.03Å; E699-Q703 VanDerWaalsContact O-CG 3.3Å; E699-Q703 WeakPolarHBondContact O-CG 3.42Å; E699-Q703 PolarHBondContact O-N 3.12Å; E699-Q703 VanDerWaalsContact O-N 3.11Å; E699-Q703 PolarHBondContact O-NE2 2.83Å; E699-Q703 VanDerWaalsContact O-NE2 3.1Å; E699-L717 HydrophobicContact CG-CD1 3.44Å; E699-L717 VanDerWaalsContact CG-CD1 3.44Å
700	K	96.8	Very high	95.6	Very high	99 Å²	99	66.6 Å²	66.6	43%	0.43	33%	0.329	S	S	.	.	H	α-helix	trans	-66.3	-44	172.8	178.9	-177.7	168.8	-173.3	0	111.7	E696 Q697 M698 I702 Q703 E704	E696-K700 WeakPolarHBondContact O-CB 3.49Å; E696-K700 PolarHBondContact O-N 2.99Å; Q697-K700 WeakPolarHBondContact O-CB 3.42Å; Q697-K700 PolarHBondContact O-N 3.49Å; M698-K700 VanDerWaalsContact C-N 3.32Å; M698-K700 PolarHBondContact O-N 3.49Å; K700-I702 VanDerWaalsContact C-N 3.3Å; K700-I702 PolarHBondContact O-N 3.04Å; K700-Q703 CarbonylContact O-C 3.57Å; K700-Q703 WeakPolarHBondContact O-CA 3.44Å; K700-Q703 WeakPolarHBondContact O-CB 3.35Å; K700-Q703 PolarHBondContact O-N 3.02Å; K700-Q703 VanDerWaalsContact O-N 3.09Å; K700-E704 WeakPolarHBondContact CE-OE1 3.23Å; K700-E704 HydrophobicContact CG-CG 4.47Å; K700-E704 IonicContact NZ-OE1 2.76Å; K700-E704 WeakPolarHBondContact O-CG 3.5Å; K700-E704 PolarHBondContact O-N 2.8Å
701	D	95.9	Very high	95.4	Very high	28 Å²	28	66 Å²	66	15%	0.15	34%	0.338	C	S	.	.	H	α-helix	trans	-66.6	-31	178.7	-70.3	-38.8	0	0	0	112.7	Q697 M698 H705 K706 F707	Q697-D701 PolarHBondContact NE2-OD1 3.44Å; Q697-D701 PolarHBondContact NE2-OD2 2.92Å; Q697-D701 VanDerWaalsContact O-CG 3.31Å; Q697-D701 PolarHBondContact O-N 2.93Å; Q697-D701 VanDerWaalsContact O-OD2 3.13Å; M698-D701 PolarHBondContact O-N 3.19Å; D701-H705 PolarHBondContact O-N 3.21Å; D701-K706 HydrophobicContact CB-CB 4.4Å; D701-K706 HydrophobicContact CB-CD 4.05Å; D701-K706 WeakPolarHBondContact O-CB 3.22Å; D701-K706 PolarHBondContact O-N 3.09Å; D701-K706 WeakPolarHBondContact OD1-CD 3.21Å; D701-K706 WeakPolarHBondContact OD1-CE 3.16Å; D701-K706 IonicContact OD1-NZ 2.84Å; D701-K706 PolarHBondContact OD1-NZ 3.28Å; D701-F707 HydrophobicContact CB-CD2 4.23Å; D701-F707 HydrophobicContact CB-CE2 3.8Å
702	I	94.8	Very high	95.3	Very high	44 Å²	44	69.4 Å²	69.4	23%	0.226	36%	0.355	C	S	.	.	H	α-helix	trans	-66.7	-41.2	169.7	-69	162.5	0	0	0	110.9	M698 K700 H705 F707 A710 L717	M698-I702 HydrophobicContact CE-CD1 4.46Å; M698-I702 HydrophobicContact CG-CD1 4.09Å; M698-I702 WeakPolarHBondContact O-CD1 3.44Å; M698-I702 WeakPolarHBondContact O-CG1 3.07Å; M698-I702 PolarHBondContact O-N 3.46Å; K700-I702 VanDerWaalsContact C-N 3.3Å; K700-I702 PolarHBondContact O-N 3.04Å; I702-H705 PolarHBondContact O-N 3.49Å; I702-F707 HydrophobicContact CB-CD2 4.46Å; I702-F707 HydrophobicContact CG1-CB 4.13Å; I702-F707 HydrophobicContact CG1-CD2 3.58Å; I702-F707 HydrophobicContact CG1-CE2 4.22Å; I702-F707 HydrophobicContact CG1-CG 3.89Å; I702-A710 HydrophobicContact CD1-CB 3.62Å; I702-A710 HydrophobicContact CG1-CB 3.81Å; I702-A710 HydrophobicContact CG2-CB 4.46Å; I702-L717 HydrophobicContact CD1-CD1 4.36Å
703	Q	94.3	Very high	95.1	Very high	144 Å²	144	74.7 Å²	74.7	67%	0.673	37%	0.372	S	S	*	.	H	α-helix	trans	-67.9	-35.7	175.1	-71.9	167.1	59.5	0	0	112.6	E699 K700 H705	E699-Q703 VanDerWaalsContact O-CG 3.3Å; E699-Q703 WeakPolarHBondContact O-CG 3.42Å; E699-Q703 PolarHBondContact O-N 3.12Å; E699-Q703 VanDerWaalsContact O-N 3.11Å; E699-Q703 PolarHBondContact O-NE2 2.83Å; E699-Q703 VanDerWaalsContact O-NE2 3.1Å; K700-Q703 CarbonylContact O-C 3.57Å; K700-Q703 WeakPolarHBondContact O-CA 3.44Å; K700-Q703 WeakPolarHBondContact O-CB 3.35Å; K700-Q703 PolarHBondContact O-N 3.02Å; K700-Q703 VanDerWaalsContact O-N 3.09Å; Q703-H705 PolarHBondContact O-N 2.71Å
704	E	94.4	Very high	95.1	Very high	94 Å²	94	72.7 Å²	72.7	44%	0.439	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	16.9	173.5	-67.8	-179.6	-177.4	0	0	113	K700 K706	K700-E704 WeakPolarHBondContact CE-OE1 3.23Å; K700-E704 HydrophobicContact CG-CG 4.47Å; K700-E704 IonicContact NZ-OE1 2.76Å; K700-E704 WeakPolarHBondContact O-CG 3.5Å; K700-E704 PolarHBondContact O-N 2.8Å; E704-K706 HydrophobicContact CB-CG 4.38Å; E704-K706 PolarHBondContact O-N 3.23Å; E704-K706 VanDerWaalsContact O-N 3.14Å; E704-K706 WeakPolarHBondContact OE2-CE 3.49Å; E704-K706 IonicContact OE2-NZ 3.31Å; E704-K706 PolarHBondContact OE2-NZ 2.86Å
705	H	93.2	Very high	94.9	Very high	145 Å²	145	76.5 Å²	76.5	67%	0.671	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.9	21.5	175.6	-59.8	-53.1	0	0	0	116.2	D701 I702 Q703 F707	D701-H705 PolarHBondContact O-N 3.21Å; I702-H705 PolarHBondContact O-N 3.49Å; Q703-H705 PolarHBondContact O-N 2.71Å; H705-F707 PolarHBondContact O-N 2.99Å
706	K	95.6	Very high	94.9	Very high	88 Å²	88	76 Å²	76	38%	0.383	37%	0.373	S	S	.	.			trans	-76	-4.3	179.6	-55.7	178.3	-166	159.8	0	113.7	D701 E704 S721 V722	D701-K706 HydrophobicContact CB-CB 4.4Å; D701-K706 HydrophobicContact CB-CD 4.05Å; D701-K706 WeakPolarHBondContact O-CB 3.22Å; D701-K706 PolarHBondContact O-N 3.09Å; D701-K706 WeakPolarHBondContact OD1-CD 3.21Å; D701-K706 WeakPolarHBondContact OD1-CE 3.16Å; D701-K706 IonicContact OD1-NZ 2.84Å; D701-K706 PolarHBondContact OD1-NZ 3.28Å; E704-K706 HydrophobicContact CB-CG 4.38Å; E704-K706 PolarHBondContact O-N 3.23Å; E704-K706 VanDerWaalsContact O-N 3.14Å; E704-K706 WeakPolarHBondContact OE2-CE 3.49Å; E704-K706 IonicContact OE2-NZ 3.31Å; E704-K706 PolarHBondContact OE2-NZ 2.86Å; K706-S721 CarbonylContact O-C 3.53Å; K706-S721 WeakPolarHBondContact O-CA 3.46Å; K706-V722 PolarHBondContact O-N 2.81Å
707	F	97.1	Very high	94.9	Very high	5 Å²	5	70.4 Å²	70.4	2%	0.022	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	124.9	-178.5	-78.4	-87.9	0	0	0	112	H674 M698 D701 I702 H705 E709 A710 T720 R746	H674-F707 HydrophobicContact CB-CE1 3.9Å; H674-F707 HydrophobicContact CB-CZ 4.03Å; H674-F707 AromaticContact CD2-CZ 3.87Å; H674-F707 AromaticContact CG-CE1 3.98Å; H674-F707 AromaticContact CG-CZ 3.94Å; M698-F707 HydrophobicContact CE-CD1 4.48Å; M698-F707 HydrophobicContact CE-CE1 3.82Å; M698-F707 HydrophobicContact CE-CZ 3.87Å; M698-F707 HydrophobicContact CG-CE2 4.29Å; M698-F707 HydrophobicContact CG-CZ 4.24Å; D701-F707 HydrophobicContact CB-CD2 4.23Å; D701-F707 HydrophobicContact CB-CE2 3.8Å; I702-F707 HydrophobicContact CB-CD2 4.46Å; I702-F707 HydrophobicContact CG1-CB 4.13Å; I702-F707 HydrophobicContact CG1-CD2 3.58Å; I702-F707 HydrophobicContact CG1-CE2 4.22Å; I702-F707 HydrophobicContact CG1-CG 3.89Å; H705-F707 PolarHBondContact O-N 2.99Å; F707-E709 VanDerWaalsContact C-N 3.35Å; F707-A710 HydrophobicContact CB-CB 4.24Å; F707-A710 HydrophobicContact CG-CB 4.49Å; F707-T720 WeakPolarHBondContact CA-O 3.12Å; F707-T720 VanDerWaalsContact CD1-C 3.49Å; F707-T720 WeakPolarHBondContact CD1-O 3.44Å; F707-R746 WeakPolarHBondContact O-CD 3.43Å; F707-R746 PolarHBondContact O-NH1 2.74Å
708	I	96.2	Very high	95	Very high	0 Å²	0	69 Å²	69	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	-33.8	176.7	62.2	158	0	0	0	111.3	T720 V722 V725 L737 V739 A743 R746 L747	I708-T720 HydrophobicContact CD1-CG2 3.85Å; I708-T720 HydrophobicContact CG1-CG2 3.88Å; I708-T720 WeakPolarHBondContact CG1-O 3.27Å; I708-T720 PolarHBondContact N-O 2.94Å; I708-V722 HydrophobicContact CG2-CG2 3.63Å; I708-V725 HydrophobicContact CD1-CG2 3.86Å; I708-L737 HydrophobicContact CD1-CD1 3.87Å; I708-L737 HydrophobicContact CD1-CD2 4.3Å; I708-V739 HydrophobicContact CD1-CG1 4.21Å; I708-A743 HydrophobicContact CB-CB 4.37Å; I708-A743 HydrophobicContact CD1-CB 4.33Å; I708-R746 HydrophobicContact CB-CB 4.43Å; I708-R746 VanDerWaalsContact O-CD 3.25Å; I708-R746 WeakPolarHBondContact O-CD 3.47Å; I708-R746 PolarHBondContact O-NE 2.8Å; I708-L747 HydrophobicContact CB-CG 4.32Å; I708-L747 HydrophobicContact CD1-CD1 4.15Å; I708-L747 HydrophobicContact CD1-CD2 4.3Å; I708-L747 HydrophobicContact CD1-CG 4.24Å; I708-L747 HydrophobicContact CG2-CD2 3.73Å; I708-L747 HydrophobicContact CG2-CG 3.82Å
709	E	95.6	Very high	94.9	Very high	54 Å²	54	69.3 Å²	69.3	25%	0.252	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	144.7	170.3	-171.9	150.8	87.5	0	0	109	F707 G719 T720 V739 S740	F707-E709 VanDerWaalsContact C-N 3.35Å; E709-G719 CarbonylContact O-C 3.37Å; E709-G719 WeakPolarHBondContact O-CA 3.49Å; E709-T720 PolarHBondContact O-N 3.41Å; E709-V739 HydrophobicContact CB-CB 4.45Å; E709-V739 HydrophobicContact CB-CG1 4.09Å; E709-V739 VanDerWaalsContact OE1-CA 3.24Å; E709-V739 WeakPolarHBondContact OE1-CA 3.46Å; E709-S740 PolarHBondContact OE1-N 2.92Å; E709-S740 WeakPolarHBondContact OE2-CB 3.46Å; E709-S740 PolarHBondContact OE2-N 2.95Å; E709-S740 VanDerWaalsContact OE2-N 3.14Å; E709-S740 PolarHBondContact OE2-OG 2.78Å
710	A	94.7	Very high	94.9	Very high	34 Å²	34	66.9 Å²	66.9	28%	0.281	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	148.4	174.8	0	0	0	0	0	110.4	I702 F707 Y718	I702-A710 HydrophobicContact CD1-CB 3.62Å; I702-A710 HydrophobicContact CG1-CB 3.81Å; I702-A710 HydrophobicContact CG2-CB 4.46Å; F707-A710 HydrophobicContact CB-CB 4.24Å; F707-A710 HydrophobicContact CG-CB 4.49Å; A710-Y718 CarbonylContact C-O 3.47Å; A710-Y718 WeakPolarHBondContact CA-O 3.39Å
711	G	92.7	Very high	94.9	Very high	42 Å²	42	62.5 Å²	62.5	43%	0.433	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	173	-180	0	0	0	0	0	112.4	L717 Y718	G711-L717 WeakPolarHBondContact O-CA 3.4Å; G711-Y718 PolarHBondContact N-O 3.02Å; G711-Y718 PolarHBondContact O-N 3.31Å
712	Q	94.4	Very high	95	Very high	105 Å²	105	62 Å²	62	49%	0.491	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	130	176.2	179.6	167.9	-47.8	0	0	110.4	N715 H716 L717	Q712-N715 PolarHBondContact NE2-OD1 2.92Å; Q712-H716 WeakPolarHBondContact CA-O 3.35Å; Q712-L717 HydrophobicContact CB-CD2 3.88Å; Q712-L717 HydrophobicContact CG-CD2 4.27Å
713	Y	91.6	Very high	95.1	Very high	145 Å²	145	63.9 Å²	63.9	57%	0.569	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138	132.5	174.2	179.6	-107.5	0	0	0	110.2	N715 H716 Y718	Y713-N715 VanDerWaalsContact C-N 3.25Å; Y713-N715 PolarHBondContact O-N 3.08Å; Y713-H716 PolarHBondContact N-O 2.82Å; Y713-H716 PolarHBondContact O-N 2.66Å; Y713-H716 VanDerWaalsContact O-O 3.09Å; Y713-Y718 HydrophobicContact CD1-CE2 4.31Å
714	N	92.8	Very high	95.2	Very high	109 Å²	109	57.3 Å²	57.3	58%	0.583	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.1	48.9	-175.2	-64.8	-10	0	0	0	113.2	H716	N714-H716 PolarHBondContact O-CE1 2.7Å; N714-H716 PolarHBondContact O-N 3.13Å; N714-H716 VanDerWaalsContact O-N 3.1Å; N714-H716 PolarHBondContact O-ND1 2.89Å
715	N	92.4	Very high	95.4	Very high	123 Å²	123	52.9 Å²	52.9	66%	0.658	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.7	5.8	-177.3	-66.8	-12.7	0	0	0	117.8	R695 Q712 Y713	R695-N715 PolarHBondContact NH1-O 2.85Å; Q712-N715 PolarHBondContact NE2-OD1 2.92Å; Y713-N715 VanDerWaalsContact C-N 3.25Å; Y713-N715 PolarHBondContact O-N 3.08Å
716	H	94.8	Very high	95.6	Very high	60 Å²	60	49.5 Å²	49.5	28%	0.278	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	149.6	172.2	-56	92.8	0	0	0	110.4	T676 R677 Q712 Y713 N714 Y718	T676-H716 PolarHBondContact O-CD2 2.73Å; R677-H716 WeakPolarHBondContact CA-CD2 3.49Å; R677-H716 HydrophobicContact CB-CB 3.91Å; Q712-H716 WeakPolarHBondContact CA-O 3.35Å; Y713-H716 PolarHBondContact N-O 2.82Å; Y713-H716 PolarHBondContact O-N 2.66Å; Y713-H716 VanDerWaalsContact O-O 3.09Å; N714-H716 PolarHBondContact O-CE1 2.7Å; N714-H716 PolarHBondContact O-N 3.13Å; N714-H716 VanDerWaalsContact O-N 3.1Å; N714-H716 PolarHBondContact O-ND1 2.89Å; H716-Y718 HydrophobicContact CB-CE2 3.97Å
717	L	96.4	Very high	95.6	Very high	10 Å²	10	48.9 Å²	48.9	5%	0.052	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	149.8	173.5	-57.4	178.7	0	0	0	110.2	T675 T676 R695 M698 E699 I702 G711 Q712	T675-L717 CarbonylContact C-O 3.18Å; T675-L717 WeakPolarHBondContact CA-O 3.42Å; T675-L717 WeakPolarHBondContact CB-O 3.3Å; T675-L717 PolarHBondContact OG1-O 3.17Å; T676-L717 HydrophobicContact CG2-CB 3.91Å; T676-L717 HydrophobicContact CG2-CD1 4.36Å; T676-L717 HydrophobicContact CG2-CG 4.34Å; T676-L717 PolarHBondContact N-O 2.73Å; T676-L717 PolarHBondContact OG1-N 2.92Å; R695-L717 HydrophobicContact CG-CD1 3.88Å; R695-L717 HydrophobicContact CG-CG 4.33Å; M698-L717 HydrophobicContact CB-CD1 4.44Å; M698-L717 HydrophobicContact CE-CB 4.17Å; M698-L717 HydrophobicContact CG-CD1 4.41Å; M698-L717 HydrophobicContact SD-CB 3.92Å; E699-L717 HydrophobicContact CG-CD1 3.44Å; E699-L717 VanDerWaalsContact CG-CD1 3.44Å; I702-L717 HydrophobicContact CD1-CD1 4.36Å; G711-L717 WeakPolarHBondContact O-CA 3.4Å; Q712-L717 HydrophobicContact CB-CD2 3.88Å; Q712-L717 HydrophobicContact CG-CD2 4.27Å
718	Y	97	Very high	95.7	Very high	47 Å²	47	49.4 Å²	49.4	18%	0.184	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	146.4	174.6	-66.2	-96.7	0	0	0	108	H674 T675 R677 Y689 A710 G711 Y713 H716	H674-Y718 WeakPolarHBondContact O-CA 3.17Å; T675-Y718 HydrophobicContact CG2-CE1 4.4Å; T675-Y718 WeakPolarHBondContact OG1-CD1 3.27Å; T675-Y718 WeakPolarHBondContact OG1-CE1 3.38Å; R677-Y718 VanDerWaalsContact CD-OH 3.29Å; R677-Y718 WeakPolarHBondContact CD-OH 3.33Å; R677-Y718 PolarHBondContact NE-OH 3.38Å; Y689-Y718 HydrophobicContact CD1-CD1 4.38Å; Y689-Y718 AromaticContact CE1-CD1 3.7Å; Y689-Y718 HydrophobicContact CE1-CD1 3.7Å; Y689-Y718 AromaticContact CE1-CE1 3.92Å; Y689-Y718 HydrophobicContact CE1-CE1 3.92Å; A710-Y718 CarbonylContact C-O 3.47Å; A710-Y718 WeakPolarHBondContact CA-O 3.39Å; G711-Y718 PolarHBondContact N-O 3.02Å; G711-Y718 PolarHBondContact O-N 3.31Å; Y713-Y718 HydrophobicContact CD1-CE2 4.31Å; H716-Y718 HydrophobicContact CB-CE2 3.97Å
719	G	95.4	Very high	95.7	Very high	8 Å²	8	49.5 Å²	49.5	8%	0.082	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179	158.3	174.2	0	0	0	0	0	114.4	H674 E709	H674-G719 PolarHBondContact N-O 3.15Å; H674-G719 PolarHBondContact O-N 3.44Å; E709-G719 CarbonylContact O-C 3.37Å; E709-G719 WeakPolarHBondContact O-CA 3.49Å
720	T	97.1	Very high	95.7	Very high	20 Å²	20	52.7 Å²	52.7	12%	0.123	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	117.8	177.5	-58.9	0	0	0	0	109.2	C671 F707 I708 E709 V725 L737	C671-T720 WeakPolarHBondContact SG-CG2 3.34Å; F707-T720 WeakPolarHBondContact CA-O 3.12Å; F707-T720 VanDerWaalsContact CD1-C 3.49Å; F707-T720 WeakPolarHBondContact CD1-O 3.44Å; I708-T720 HydrophobicContact CD1-CG2 3.85Å; I708-T720 HydrophobicContact CG1-CG2 3.88Å; I708-T720 WeakPolarHBondContact CG1-O 3.27Å; I708-T720 PolarHBondContact N-O 2.94Å; E709-T720 PolarHBondContact O-N 3.41Å; T720-V725 HydrophobicContact CG2-CG2 3.77Å; T720-L737 HydrophobicContact CG2-CD2 4.29Å
721	S	97.3	Very high	95.8	Very high	8 Å²	8	57.9 Å²	57.9	6%	0.056	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	148.8	-179.7	90	0	0	0	0	111	K706 Q723 S724 V725	K706-S721 CarbonylContact O-C 3.53Å; K706-S721 WeakPolarHBondContact O-CA 3.46Å; S721-Q723 PolarHBondContact O-N 3.42Å; S721-Q723 PolarHBondContact OG-N 3.24Å; S721-S724 PolarHBondContact O-N 3.02Å; S721-S724 WeakPolarHBondContact OG-CB 3.37Å; S721-S724 PolarHBondContact OG-N 2.68Å; S721-S724 PolarHBondContact OG-OG 3.47Å; S721-V725 PolarHBondContact O-N 3.15Å
722	V	97.4	Very high	95.9	Very high	17 Å²	17	58 Å²	58	10%	0.103	29%	0.286	C	S	.	.	H	α-helix	trans	-54.2	-38.2	171.8	169.3	0	0	0	0	110.9	K706 I708 V725 R726 A750 L752	K706-V722 PolarHBondContact O-N 2.81Å; I708-V722 HydrophobicContact CG2-CG2 3.63Å; V722-V725 PolarHBondContact O-N 2.81Å; V722-R726 PolarHBondContact O-N 3.31Å; V722-A750 HydrophobicContact CG1-CB 3.67Å; V722-A750 HydrophobicContact CG2-CB 3.94Å; V722-L752 HydrophobicContact CG1-CD1 4.23Å
723	Q	96.8	Very high	96.1	Very high	84 Å²	84	55.9 Å²	55.9	39%	0.393	28%	0.275	S	S	.	.	H	α-helix	trans	-69.9	-41.3	-178.1	-177.3	55.7	28.5	0	0	111.9	S721 V725 R726 E727	S721-Q723 PolarHBondContact O-N 3.42Å; S721-Q723 PolarHBondContact OG-N 3.24Å; Q723-V725 PolarHBondContact O-N 3.44Å; Q723-R726 PolarHBondContact O-N 2.98Å; Q723-E727 WeakPolarHBondContact CG-OE1 2.98Å; Q723-E727 PolarHBondContact NE2-OE1 2.92Å; Q723-E727 WeakPolarHBondContact O-CG 3.46Å; Q723-E727 PolarHBondContact O-N 3.27Å
724	S	97.5	Very high	96.4	Very high	6 Å²	6	49.5 Å²	49.5	4%	0.042	25%	0.251	C	S	.	.	H	α-helix	trans	-58.7	-35.6	175.2	-56.2	0	0	0	0	112.2	C671 V672 H674 S721	C671-S724 WeakPolarHBondContact CB-O 3.27Å; V672-S724 WeakPolarHBondContact O-CB 3.49Å; V672-S724 PolarHBondContact O-OG 3.18Å; V672-S724 VanDerWaalsContact O-OG 3.14Å; H674-S724 PolarHBondContact CE1-OG 2.87Å; H674-S724 VanDerWaalsContact CE1-OG 3.3Å; S721-S724 PolarHBondContact O-N 3.02Å; S721-S724 WeakPolarHBondContact OG-CB 3.37Å; S721-S724 PolarHBondContact OG-N 2.68Å; S721-S724 PolarHBondContact OG-OG 3.47Å
725	V	97.9	Very high	96.7	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-72.9	-46.5	175.1	-176.7	0	0	0	0	111.2	P645 I708 T720 S721 V722 Q723 E727 V728 A729 C735 L737 L747 L752	P645-V725 HydrophobicContact CB-CG1 3.87Å; P645-V725 HydrophobicContact CG-CG1 3.46Å; P645-V725 VanDerWaalsContact CG-CG1 3.46Å; I708-V725 HydrophobicContact CD1-CG2 3.86Å; T720-V725 HydrophobicContact CG2-CG2 3.77Å; S721-V725 PolarHBondContact O-N 3.15Å; V722-V725 PolarHBondContact O-N 2.81Å; Q723-V725 PolarHBondContact O-N 3.44Å; V725-E727 VanDerWaalsContact C-N 3.27Å; V725-E727 PolarHBondContact O-N 3.31Å; V725-V728 PolarHBondContact O-N 3.47Å; V725-V728 VanDerWaalsContact O-N 3.11Å; V725-A729 PolarHBondContact O-N 2.88Å; V725-A729 VanDerWaalsContact O-N 3.17Å; V725-C735 HydrophobicContact CG1-CB 4.03Å; V725-L737 HydrophobicContact CG1-CD1 4.13Å; V725-L737 HydrophobicContact CG1-CD2 4.47Å; V725-L737 HydrophobicContact CG2-CD1 4.28Å; V725-L737 HydrophobicContact CG2-CD2 3.78Å; V725-L747 HydrophobicContact CG1-CD2 4.13Å; V725-L752 HydrophobicContact CB-CD1 4.35Å; V725-L752 HydrophobicContact CG1-CD1 4.25Å
726	R	97.2	Very high	97	Very high	75 Å²	75	38.9 Å²	38.9	28%	0.283	19%	0.193	S	C	.	.	H	α-helix	trans	-55.4	-43.2	177	178.7	176.8	-68.4	134.1	-1.8	111.6	V722 Q723 V728 A729 E730 L752	V722-R726 PolarHBondContact O-N 3.31Å; Q723-R726 PolarHBondContact O-N 2.98Å; R726-V728 PolarHBondContact O-N 2.98Å; R726-A729 WeakPolarHBondContact O-CB 3.4Å; R726-A729 PolarHBondContact O-N 2.94Å; R726-A729 VanDerWaalsContact O-N 3.15Å; R726-E730 VanDerWaalsContact CD-OE1 3.22Å; R726-E730 WeakPolarHBondContact CD-OE1 3.38Å; R726-E730 HydrophobicContact CG-CG 3.93Å; R726-E730 WeakPolarHBondContact CG-OE1 3.3Å; R726-E730 WeakPolarHBondContact O-CB 3.47Å; R726-E730 WeakPolarHBondContact O-CG 3.36Å; R726-E730 PolarHBondContact O-N 3.47Å; R726-L752 HydrophobicContact CB-CD1 4.26Å
727	E	96.5	Very high	97.1	Very high	74 Å²	74	36.2 Å²	36.2	35%	0.346	18%	0.181	S	C	.	.	H	α-helix	trans	-64.9	-17.3	179.6	-79.4	178	-147.1	0	0	115.1	Q723 V725 K731	Q723-E727 WeakPolarHBondContact CG-OE1 2.98Å; Q723-E727 PolarHBondContact NE2-OE1 2.92Å; Q723-E727 WeakPolarHBondContact O-CG 3.46Å; Q723-E727 PolarHBondContact O-N 3.27Å; V725-E727 VanDerWaalsContact C-N 3.27Å; V725-E727 PolarHBondContact O-N 3.31Å; E727-K731 WeakPolarHBondContact O-CD 3.44Å; E727-K731 WeakPolarHBondContact O-CE 3.4Å; E727-K731 WeakPolarHBondContact O-CG 3.43Å; E727-K731 PolarHBondContact O-NZ 3.35Å
728	V	97.4	Very high	96.9	Very high	17 Å²	17	40.8 Å²	40.8	10%	0.103	21%	0.206	C	C	.	.	H	α-helix	trans	-89.2	-42.7	171.5	179.1	0	0	0	0	109.7	C671 V725 R726 E730 K731 K733 C735	C671-V728 HydrophobicContact CB-CG2 4Å; V725-V728 PolarHBondContact O-N 3.47Å; V725-V728 VanDerWaalsContact O-N 3.11Å; R726-V728 PolarHBondContact O-N 2.98Å; V728-E730 PolarHBondContact O-N 3.37Å; V728-K731 PolarHBondContact O-N 2.88Å; V728-K731 VanDerWaalsContact O-N 3.14Å; V728-K733 CarbonylContact C-O 3.5Å; V728-K733 HydrophobicContact CG1-CB 3.96Å; V728-K733 PolarHBondContact O-N 2.63Å; V728-C735 HydrophobicContact CB-CB 3.84Å; V728-C735 HydrophobicContact CG1-CB 3.8Å
729	A	96.7	Very high	96.8	Very high	1 Å²	1	39 Å²	39	1%	0.008	20%	0.2	C	C	.	.	H	α-helix	trans	-59.7	-41.2	176.5	0	0	0	0	0	113.4	Y642 T643 V725 R726 K731 G732 K733	Y642-A729 HydrophobicContact CD2-CB 4.14Å; T643-A729 PolarHBondContact N-O 3.3Å; T643-A729 WeakPolarHBondContact O-CA 3.47Å; T643-A729 WeakPolarHBondContact O-CB 3.43Å; V725-A729 PolarHBondContact O-N 2.88Å; V725-A729 VanDerWaalsContact O-N 3.17Å; R726-A729 WeakPolarHBondContact O-CB 3.4Å; R726-A729 PolarHBondContact O-N 2.94Å; R726-A729 VanDerWaalsContact O-N 3.15Å; A729-K731 VanDerWaalsContact C-N 3.31Å; A729-G732 PolarHBondContact O-N 3.43Å; A729-K733 WeakPolarHBondContact CA-O 3.48Å
730	E	95.8	Very high	96.7	Very high	122 Å²	122	40.6 Å²	40.6	57%	0.57	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-19.1	177.2	-71.6	175.3	167.4	0	0	113.1	R726 V728 G732	R726-E730 VanDerWaalsContact CD-OE1 3.22Å; R726-E730 WeakPolarHBondContact CD-OE1 3.38Å; R726-E730 HydrophobicContact CG-CG 3.93Å; R726-E730 WeakPolarHBondContact CG-OE1 3.3Å; R726-E730 WeakPolarHBondContact O-CB 3.47Å; R726-E730 WeakPolarHBondContact O-CG 3.36Å; R726-E730 PolarHBondContact O-N 3.47Å; V728-E730 PolarHBondContact O-N 3.37Å; E730-G732 PolarHBondContact O-N 2.84Å
731	K	95.9	Very high	96.4	Very high	143 Å²	143	39.6 Å²	39.6	62%	0.622	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.8	10.1	169.8	-67.8	172	-167.7	123.5	0	112.3	E727 V728 A729 K733	E727-K731 WeakPolarHBondContact O-CD 3.44Å; E727-K731 WeakPolarHBondContact O-CE 3.4Å; E727-K731 WeakPolarHBondContact O-CG 3.43Å; E727-K731 PolarHBondContact O-NZ 3.35Å; V728-K731 PolarHBondContact O-N 2.88Å; V728-K731 VanDerWaalsContact O-N 3.14Å; A729-K731 VanDerWaalsContact C-N 3.31Å; K731-K733 VanDerWaalsContact C-N 3.3Å; K731-K733 PolarHBondContact O-N 3.38Å
732	G	96.2	Very high	96.2	Very high	45 Å²	45	42.5 Å²	42.5	46%	0.464	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.2	4.7	179.7	0	0	0	0	0	114.8	T643 A729 E730	T643-G732 WeakPolarHBondContact CB-O 3.35Å; T643-G732 VanDerWaalsContact OG1-CA 3.32Å; T643-G732 WeakPolarHBondContact OG1-CA 3.37Å; T643-G732 PolarHBondContact OG1-O 2.95Å; A729-G732 PolarHBondContact O-N 3.43Å; E730-G732 PolarHBondContact O-N 2.84Å
733	K	98	Very high	96.1	Very high	60 Å²	60	41.7 Å²	41.7	26%	0.261	21%	0.214	S	C	.	.			trans	-104.8	142.5	-174.4	-58.7	-162.5	178.1	-170	0	112.6	T643 P665 D666 K667 V728 A729 K731 C735	T643-K733 VanDerWaalsContact CG2-C 3.49Å; P665-K733 PolarHBondContact O-NZ 2.58Å; D666-K733 VanDerWaalsContact O-CE 3.24Å; D666-K733 WeakPolarHBondContact O-CE 3.17Å; D666-K733 IonicContact OD1-NZ 3.49Å; K667-K733 CarbonylContact O-C 3.57Å; K667-K733 WeakPolarHBondContact O-CA 3.26Å; V728-K733 CarbonylContact C-O 3.5Å; V728-K733 HydrophobicContact CG1-CB 3.96Å; V728-K733 PolarHBondContact O-N 2.63Å; A729-K733 WeakPolarHBondContact CA-O 3.48Å; K731-K733 VanDerWaalsContact C-N 3.3Å; K731-K733 PolarHBondContact O-N 3.38Å; K733-C735 PolarHBondContact O-N 2.74Å; K733-C735 VanDerWaalsContact O-N 3.17Å
734	H	98.4	Very high	96	Very high	11 Å²	11	37.8 Å²	37.8	5%	0.051	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	111.1	168.9	-74.6	-74.7	0	0	0	109.3	T643 R644 V646 K667 F668 G669 I736 S821	T643-H734 HydrophobicContact CG2-CB 4.26Å; R644-H734 PolarHBondContact O-ND1 3.09Å; V646-H734 HydrophobicContact CG2-CB 4Å; K667-H734 PolarHBondContact O-N 3.49Å; F668-H734 WeakPolarHBondContact CA-O 3Å; F668-H734 HydrophobicContact CD1-CB 3.39Å; F668-H734 HydrophobicContact CE1-CB 3.63Å; F668-H734 AromaticContact CE1-CG 3.99Å; F668-H734 HydrophobicContact CG-CB 4.34Å; G669-H734 PolarHBondContact N-O 3.45Å; H734-I736 PolarHBondContact O-N 2.84Å; H734-I736 VanDerWaalsContact O-N 3.16Å; H734-S821 PolarHBondContact CE1-OG 2.95Å; H734-S821 PolarHBondContact NE2-OG 2.81Å
735	C	98.3	Very high	95.8	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	106.7	175.2	-167.4	0	0	0	0	109.7	P645 V646 G669 V725 V728 K733	P645-C735 CarbonylContact C-O 3.56Å; P645-C735 WeakPolarHBondContact CA-O 3.18Å; P645-C735 HydrophobicContact CB-CB 4.19Å; V646-C735 PolarHBondContact N-O 3.29Å; G669-C735 CarbonylContact O-C 3.54Å; G669-C735 WeakPolarHBondContact O-CA 3.32Å; V725-C735 HydrophobicContact CG1-CB 4.03Å; V728-C735 HydrophobicContact CB-CB 3.84Å; V728-C735 HydrophobicContact CG1-CB 3.8Å; K733-C735 PolarHBondContact O-N 2.74Å; K733-C735 VanDerWaalsContact O-N 3.17Å
736	I	98.1	Very high	95.6	Very high	8 Å²	8	45.3 Å²	45.3	4%	0.041	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	133	170.3	-59.3	-55.6	0	0	0	108.4	V646 N657 L660 I661 F668 G669 H734	V646-I736 HydrophobicContact CB-CD1 3.89Å; V646-I736 HydrophobicContact CG1-CD1 4.25Å; V646-I736 HydrophobicContact CG2-CD1 4.4Å; N657-I736 HydrophobicContact CB-CG2 3.75Å; N657-I736 WeakPolarHBondContact OD1-CG2 3.41Å; L660-I736 HydrophobicContact CD1-CD1 4.09Å; I661-I736 HydrophobicContact CD1-CB 4.06Å; I661-I736 HydrophobicContact CD1-CG1 4.11Å; I661-I736 HydrophobicContact CD1-CG2 4.17Å; I661-I736 HydrophobicContact CG1-CB 4.35Å; I661-I736 HydrophobicContact CG1-CG1 3.84Å; F668-I736 HydrophobicContact CB-CG1 4.15Å; F668-I736 HydrophobicContact CD1-CD1 3.46Å; F668-I736 VanDerWaalsContact CD1-CD1 3.46Å; F668-I736 HydrophobicContact CD1-CG1 4.01Å; F668-I736 HydrophobicContact CE1-CD1 4.07Å; F668-I736 HydrophobicContact CG-CD1 4.29Å; F668-I736 HydrophobicContact CG-CG1 4.43Å; G669-I736 PolarHBondContact O-N 2.66Å; H734-I736 PolarHBondContact O-N 2.84Å; H734-I736 VanDerWaalsContact O-N 3.16Å
737	L	97.3	Very high	95.5	Very high	4 Å²	4	41.8 Å²	41.8	2%	0.021	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	112.9	-175.9	-63.9	176.2	0	0	0	111.4	P645 V646 I647 C671 I708 T720 V725 V739 L747	P645-L737 HydrophobicContact CB-CD1 3.89Å; V646-L737 PolarHBondContact O-N 2.65Å; I647-L737 HydrophobicContact CD1-CD1 4.24Å; I647-L737 HydrophobicContact CG1-CB 3.84Å; I647-L737 HydrophobicContact CG1-CD1 4.05Å; C671-L737 VanDerWaalsContact SG-CD2 3.5Å; I708-L737 HydrophobicContact CD1-CD1 3.87Å; I708-L737 HydrophobicContact CD1-CD2 4.3Å; T720-L737 HydrophobicContact CG2-CD2 4.29Å; V725-L737 HydrophobicContact CG1-CD1 4.13Å; V725-L737 HydrophobicContact CG1-CD2 4.47Å; V725-L737 HydrophobicContact CG2-CD1 4.28Å; V725-L737 HydrophobicContact CG2-CD2 3.78Å; L737-V739 HydrophobicContact CB-CG2 3.91Å; L737-V739 PolarHBondContact O-N 2.77Å; L737-L747 HydrophobicContact CD1-CD1 3.72Å
738	D	93.6	Very high	95.4	Very high	107 Å²	107	40.4 Å²	40.4	57%	0.572	21%	0.205	S	C	*	.			trans	-84.8	96.3	163.5	-173.1	23.5	0	0	0	110	K653	K653-D738 IonicContact NZ-OD1 2.77Å; K653-D738 PolarHBondContact NZ-OD1 2.79Å; K653-D738 IonicContact NZ-OD2 3.47Å
739	V	93.8	Very high	95.1	Very high	9 Å²	9	46.1 Å²	46.1	6%	0.055	23%	0.233	C	C	.	.			trans	-150.5	160.4	-175.6	-69	0	0	0	0	110.7	I647 I708 E709 L737 A743	I647-V739 HydrophobicContact CD1-CG2 3.78Å; I647-V739 HydrophobicContact CG1-CG2 3.88Å; I708-V739 HydrophobicContact CD1-CG1 4.21Å; E709-V739 HydrophobicContact CB-CB 4.45Å; E709-V739 HydrophobicContact CB-CG1 4.09Å; E709-V739 VanDerWaalsContact OE1-CA 3.24Å; E709-V739 WeakPolarHBondContact OE1-CA 3.46Å; L737-V739 HydrophobicContact CB-CG2 3.91Å; L737-V739 PolarHBondContact O-N 2.77Å; V739-A743 HydrophobicContact CB-CB 3.74Å; V739-A743 HydrophobicContact CG1-CB 4.35Å; V739-A743 HydrophobicContact CG2-CB 3.48Å; V739-A743 VanDerWaalsContact CG2-CB 3.48Å
740	S	92.6	Very high	95	Very high	41 Å²	41	47.2 Å²	47.2	29%	0.287	24%	0.243	S	C	.	.			trans	-71.3	160.9	171.9	82.7	0	0	0	0	112.8	E709 N742 A743	E709-S740 PolarHBondContact OE1-N 2.92Å; E709-S740 WeakPolarHBondContact OE2-CB 3.46Å; E709-S740 PolarHBondContact OE2-N 2.95Å; E709-S740 VanDerWaalsContact OE2-N 3.14Å; E709-S740 PolarHBondContact OE2-OG 2.78Å; S740-N742 PolarHBondContact O-N 2.64Å; S740-N742 PolarHBondContact OG-N 2.81Å; S740-N742 PolarHBondContact OG-ND2 2.87Å; S740-A743 WeakPolarHBondContact O-CB 3.44Å; S740-A743 PolarHBondContact O-N 2.85Å
741	G	91.3	Very high	94.9	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-16.7	176.5	0	0	0	0	0	115	A743 I744 F793	G741-A743 PolarHBondContact O-N 3.44Å; G741-I744 WeakPolarHBondContact O-CB 3.34Å; G741-I744 WeakPolarHBondContact O-CG1 3.13Å; G741-I744 PolarHBondContact O-N 2.87Å; G741-F793 WeakPolarHBondContact O-CE1 3.5Å
742	N	93.6	Very high	94.9	Very high	69 Å²	69	39.6 Å²	39.6	37%	0.369	21%	0.209	S	C	.	.	H	α-helix	trans	-65.7	-26.3	172.6	-68.9	-68.4	0	0	0	113.2	S740 I744 K745	S740-N742 PolarHBondContact O-N 2.64Å; S740-N742 PolarHBondContact OG-N 2.81Å; S740-N742 PolarHBondContact OG-ND2 2.87Å; N742-I744 VanDerWaalsContact C-N 3.28Å; N742-I744 PolarHBondContact O-N 2.82Å; N742-K745 PolarHBondContact O-N 3.38Å
743	A	94.7	Very high	94.9	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-66.1	-29.8	177.2	0	0	0	0	0	112.5	I647 I708 V739 S740 G741 K745 R746 L747	I647-A743 HydrophobicContact CD1-CB 4.44Å; I708-A743 HydrophobicContact CB-CB 4.37Å; I708-A743 HydrophobicContact CD1-CB 4.33Å; V739-A743 HydrophobicContact CB-CB 3.74Å; V739-A743 HydrophobicContact CG1-CB 4.35Å; V739-A743 HydrophobicContact CG2-CB 3.48Å; V739-A743 VanDerWaalsContact CG2-CB 3.48Å; S740-A743 WeakPolarHBondContact O-CB 3.44Å; S740-A743 PolarHBondContact O-N 2.85Å; G741-A743 PolarHBondContact O-N 3.44Å; A743-K745 VanDerWaalsContact C-N 3.33Å; A743-K745 PolarHBondContact O-N 3.08Å; A743-R746 PolarHBondContact O-N 2.92Å; A743-R746 VanDerWaalsContact O-N 3.12Å; A743-L747 WeakPolarHBondContact O-CB 3.28Å; A743-L747 WeakPolarHBondContact O-CG 3.25Å; A743-L747 PolarHBondContact O-N 2.84Å
744	I	95.3	Very high	94.9	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-56.2	-48.7	177.5	-54.2	169.3	0	0	0	110.1	I647 L649 G741 N742 R746 L747 Q748 P754 H796 F797	I647-I744 HydrophobicContact CD1-CG1 3.82Å; I647-I744 HydrophobicContact CG2-CG1 4.37Å; L649-I744 HydrophobicContact CD1-CD1 4.12Å; G741-I744 WeakPolarHBondContact O-CB 3.34Å; G741-I744 WeakPolarHBondContact O-CG1 3.13Å; G741-I744 PolarHBondContact O-N 2.87Å; N742-I744 VanDerWaalsContact C-N 3.28Å; N742-I744 PolarHBondContact O-N 2.82Å; I744-R746 PolarHBondContact O-N 2.82Å; I744-L747 PolarHBondContact O-N 2.81Å; I744-Q748 WeakPolarHBondContact O-CG 3.18Å; I744-Q748 PolarHBondContact O-N 2.8Å; I744-P754 HydrophobicContact CG2-CG 3.94Å; I744-H796 HydrophobicContact CD1-CB 4.24Å; I744-H796 HydrophobicContact CG2-CB 4.07Å; I744-F797 HydrophobicContact CD1-CD1 4.48Å
745	K	92.5	Very high	94.8	Very high	74 Å²	74	35.9 Å²	35.9	32%	0.322	18%	0.18	S	C	.	.	H	α-helix	trans	-60	-42	177.1	-67.8	169.6	176.8	167.9	0	111.9	N742 A743 I749 H796	N742-K745 PolarHBondContact O-N 3.38Å; A743-K745 VanDerWaalsContact C-N 3.33Å; A743-K745 PolarHBondContact O-N 3.08Å; K745-I749 WeakPolarHBondContact O-CD1 3.41Å; K745-I749 VanDerWaalsContact O-CG1 3.29Å; K745-I749 WeakPolarHBondContact O-CG1 3.15Å; K745-I749 PolarHBondContact O-N 3.23Å; K745-I749 VanDerWaalsContact O-N 3.17Å; K745-H796 WeakPolarHBondContact CE-CE1 3.35Å; K745-H796 WeakPolarHBondContact CE-NE2 3.44Å
746	R	94.7	Very high	94.8	Very high	91 Å²	91	36 Å²	36	34%	0.343	18%	0.181	S	C	.	.	H	α-helix	trans	-71	-37	179.9	-58.8	-156	-159.5	160.8	4.6	112.7	F707 I708 A743 I744 I749 A750	F707-R746 WeakPolarHBondContact O-CD 3.43Å; F707-R746 PolarHBondContact O-NH1 2.74Å; I708-R746 HydrophobicContact CB-CB 4.43Å; I708-R746 VanDerWaalsContact O-CD 3.25Å; I708-R746 WeakPolarHBondContact O-CD 3.47Å; I708-R746 PolarHBondContact O-NE 2.8Å; A743-R746 PolarHBondContact O-N 2.92Å; A743-R746 VanDerWaalsContact O-N 3.12Å; I744-R746 PolarHBondContact O-N 2.82Å; R746-I749 PolarHBondContact O-N 2.93Å; R746-A750 WeakPolarHBondContact O-CB 3.3Å; R746-A750 PolarHBondContact O-N 3.08Å
747	L	95.8	Very high	94.8	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-63.1	-46.1	174.8	-80.6	165.9	0	0	0	111.7	I647 I708 V725 L737 A743 I744 I749 A750 Q751 L752 P754	I647-L747 HydrophobicContact CD1-CD1 3.58Å; I708-L747 HydrophobicContact CB-CG 4.32Å; I708-L747 HydrophobicContact CD1-CD1 4.15Å; I708-L747 HydrophobicContact CD1-CD2 4.3Å; I708-L747 HydrophobicContact CD1-CG 4.24Å; I708-L747 HydrophobicContact CG2-CD2 3.73Å; I708-L747 HydrophobicContact CG2-CG 3.82Å; V725-L747 HydrophobicContact CG1-CD2 4.13Å; L737-L747 HydrophobicContact CD1-CD1 3.72Å; A743-L747 WeakPolarHBondContact O-CB 3.28Å; A743-L747 WeakPolarHBondContact O-CG 3.25Å; A743-L747 PolarHBondContact O-N 2.84Å; I744-L747 PolarHBondContact O-N 2.81Å; L747-I749 PolarHBondContact O-N 3.17Å; L747-A750 CarbonylContact O-C 3.19Å; L747-A750 WeakPolarHBondContact O-CA 3.35Å; L747-A750 WeakPolarHBondContact O-CB 3.17Å; L747-A750 PolarHBondContact O-N 3.27Å; L747-Q751 PolarHBondContact O-N 3Å; L747-Q751 VanDerWaalsContact O-N 3.12Å; L747-L752 CarbonylContact C-O 3.55Å; L747-L752 WeakPolarHBondContact CB-O 3.49Å; L747-L752 HydrophobicContact CD2-CB 3.92Å; L747-L752 HydrophobicContact CD2-CD1 4.07Å; L747-L752 PolarHBondContact O-N 2.82Å; L747-P754 HydrophobicContact CD1-CB 4.36Å; L747-P754 HydrophobicContact CD1-CG 4.37Å
748	Q	92.6	Very high	94.9	Very high	45 Å²	45	35.4 Å²	35.4	21%	0.21	18%	0.178	C	C	.	.	H	α-helix	trans	-58.5	-44	174.5	-70.5	169.5	-19.7	0	0	112.3	I744 A750 Q751 Y753	I744-Q748 WeakPolarHBondContact O-CG 3.18Å; I744-Q748 PolarHBondContact O-N 2.8Å; Q748-A750 VanDerWaalsContact C-N 3.29Å; Q748-A750 PolarHBondContact O-N 3.12Å; Q748-Q751 PolarHBondContact O-N 3.09Å; Q748-Q751 PolarHBondContact O-NE2 3.28Å; Q748-Y753 HydrophobicContact CB-CE1 4.42Å; Q748-Y753 HydrophobicContact CG-CD1 4.08Å; Q748-Y753 HydrophobicContact CG-CE1 4.31Å
749	I	92.3	Very high	95.1	Very high	137 Å²	137	30.4 Å²	30.4	70%	0.703	15%	0.151	S	C	*	.	H	α-helix	trans	-60.5	-39	173.7	-68.5	164.7	0	0	0	111.1	K745 R746 L747 Q751	K745-I749 WeakPolarHBondContact O-CD1 3.41Å; K745-I749 VanDerWaalsContact O-CG1 3.29Å; K745-I749 WeakPolarHBondContact O-CG1 3.15Å; K745-I749 PolarHBondContact O-N 3.23Å; K745-I749 VanDerWaalsContact O-N 3.17Å; R746-I749 PolarHBondContact O-N 2.93Å; L747-I749 PolarHBondContact O-N 3.17Å; I749-Q751 PolarHBondContact O-N 2.8Å
750	A	93.9	Very high	95.2	Very high	24 Å²	24	32.9 Å²	32.9	20%	0.198	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	5.3	175.3	0	0	0	0	0	114.8	V722 R746 L747 Q748 L752	V722-A750 HydrophobicContact CG1-CB 3.67Å; V722-A750 HydrophobicContact CG2-CB 3.94Å; R746-A750 WeakPolarHBondContact O-CB 3.3Å; R746-A750 PolarHBondContact O-N 3.08Å; L747-A750 CarbonylContact O-C 3.19Å; L747-A750 WeakPolarHBondContact O-CA 3.35Å; L747-A750 WeakPolarHBondContact O-CB 3.17Å; L747-A750 PolarHBondContact O-N 3.27Å; Q748-A750 VanDerWaalsContact C-N 3.29Å; Q748-A750 PolarHBondContact O-N 3.12Å; A750-L752 PolarHBondContact O-N 3.35Å
751	Q	94.1	Very high	95.3	Very high	102 Å²	102	31.1 Å²	31.1	48%	0.477	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	24	-177.6	-58.7	-71.3	-95.7	0	0	114.8	Y642 L747 Q748 I749 Y753	Y642-Q751 PolarHBondContact OH-O 2.87Å; L747-Q751 PolarHBondContact O-N 3Å; L747-Q751 VanDerWaalsContact O-N 3.12Å; Q748-Q751 PolarHBondContact O-N 3.09Å; Q748-Q751 PolarHBondContact O-NE2 3.28Å; I749-Q751 PolarHBondContact O-N 2.8Å; Q751-Y753 PolarHBondContact NE2-OH 2.82Å
752	L	95.7	Very high	95.5	Very high	4 Å²	4	35.3 Å²	35.3	2%	0.021	17%	0.167	C	C	.	.			trans	-104.2	102	167.4	-65.1	175.7	0	0	0	107.7	Y642 V722 V725 R726 L747 A750 P754	Y642-L752 HydrophobicContact CD1-CD2 4.42Å; Y642-L752 HydrophobicContact CD2-CD2 4.13Å; Y642-L752 HydrophobicContact CE1-CD2 4.31Å; Y642-L752 HydrophobicContact CE2-CD2 4.05Å; Y642-L752 HydrophobicContact CG-CD2 4.35Å; V722-L752 HydrophobicContact CG1-CD1 4.23Å; V725-L752 HydrophobicContact CB-CD1 4.35Å; V725-L752 HydrophobicContact CG1-CD1 4.25Å; R726-L752 HydrophobicContact CB-CD1 4.26Å; L747-L752 CarbonylContact C-O 3.55Å; L747-L752 WeakPolarHBondContact CB-O 3.49Å; L747-L752 HydrophobicContact CD2-CB 3.92Å; L747-L752 HydrophobicContact CD2-CD1 4.07Å; L747-L752 PolarHBondContact O-N 2.82Å; A750-L752 PolarHBondContact O-N 3.35Å; L752-P754 WeakPolarHBondContact O-CD 3.28Å
753	Y	96.2	Very high	95.5	Very high	31 Å²	31	33.7 Å²	33.7	12%	0.122	16%	0.161	C	C	.	.			trans	-88.6	105.8	-175.8	-70.2	-88.3	0	0	0	110.3	Y642 R644 Q748 Q751 I825 V827	Y642-Y753 PolarHBondContact OH-N 2.95Å; R644-Y753 PolarHBondContact NE-O 3.21Å; Q748-Y753 HydrophobicContact CB-CE1 4.42Å; Q748-Y753 HydrophobicContact CG-CD1 4.08Å; Q748-Y753 HydrophobicContact CG-CE1 4.31Å; Q751-Y753 PolarHBondContact NE2-OH 2.82Å; Y753-I825 HydrophobicContact CD2-CD1 4.04Å; Y753-I825 HydrophobicContact CG-CD1 4.02Å; Y753-V827 HydrophobicContact CD1-CB 4.16Å; Y753-V827 HydrophobicContact CD1-CG1 3.6Å; Y753-V827 HydrophobicContact CD2-CG1 3.89Å; Y753-V827 HydrophobicContact CE1-CB 3.82Å; Y753-V827 HydrophobicContact CE1-CG1 3.67Å; Y753-V827 HydrophobicContact CE2-CG1 3.97Å; Y753-V827 HydrophobicContact CG-CG1 3.71Å
754	P	97.5	Very high	95.4	Very high	7 Å²	7	36.2 Å²	36.2	5%	0.045	17%	0.174	C	C	.	.			trans	-72.7	167.6	-175.4	32.4	-36.5	0	0	0	112.2	R644 P645 I647 I744 L747 L752 S756	R644-P754 PolarHBondContact NH2-O 2.85Å; P645-P754 HydrophobicContact CB-CB 4.45Å; P645-P754 CarbonylContact O-C 3.55Å; P645-P754 WeakPolarHBondContact O-CA 3.44Å; I647-P754 HydrophobicContact CD1-CB 4.4Å; I744-P754 HydrophobicContact CG2-CG 3.94Å; L747-P754 HydrophobicContact CD1-CB 4.36Å; L747-P754 HydrophobicContact CD1-CG 4.37Å; L752-P754 WeakPolarHBondContact O-CD 3.28Å; P754-S756 WeakPolarHBondContact CG-OG 3.46Å
755	I	98.1	Very high	95.3	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	110.3	157.2	-53.1	169.5	0	0	0	105.1	R644 P645 V646 I647 I757 T798 I816 I817 Q820	R644-I755 HydrophobicContact CB-CD1 4.06Å; R644-I755 HydrophobicContact CB-CG1 3.91Å; P645-I755 PolarHBondContact O-N 2.8Å; V646-I755 WeakPolarHBondContact CA-O 3.47Å; V646-I755 HydrophobicContact CG2-CB 4.34Å; V646-I755 HydrophobicContact CG2-CD1 4.29Å; I647-I755 PolarHBondContact N-O 2.79Å; I755-I757 HydrophobicContact CG2-CD1 4.12Å; I755-I757 HydrophobicContact CG2-CG1 4.05Å; I755-T798 HydrophobicContact CG2-CG2 4.49Å; I755-I816 HydrophobicContact CG2-CG2 4.47Å; I755-I817 HydrophobicContact CD1-CG2 4.23Å; I755-Q820 HydrophobicContact CD1-CB 3.7Å; I755-Q820 HydrophobicContact CG1-CB 3.86Å; I755-Q820 HydrophobicContact CG2-CB 4.11Å; I755-Q820 HydrophobicContact CG2-CG 4.38Å
756	S	97.8	Very high	95.3	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.007	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	108.5	-175.5	-66.3	0	0	0	0	110.2	I647 P754 F797 T798 A799	I647-S756 WeakPolarHBondContact O-CA 3.47Å; P754-S756 WeakPolarHBondContact CG-OG 3.46Å; S756-F797 CarbonylContact O-C 3.52Å; S756-F797 WeakPolarHBondContact O-CA 3.48Å; S756-T798 PolarHBondContact N-OG1 2.83Å; S756-T798 WeakPolarHBondContact O-CB 3.2Å; S756-T798 PolarHBondContact O-N 2.83Å; S756-A799 PolarHBondContact O-N 2.84Å
757	I	98.4	Very high	95.3	Very high	1 Å²	1	33 Å²	33	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	127.5	-173.5	-53.8	175.9	0	0	0	109.1	I647 I648 L649 I755 V801 V813 I816 I817	I647-I757 PolarHBondContact O-N 2.67Å; I648-I757 WeakPolarHBondContact CA-O 3.44Å; L649-I757 PolarHBondContact N-O 3Å; I755-I757 HydrophobicContact CG2-CD1 4.12Å; I755-I757 HydrophobicContact CG2-CG1 4.05Å; I757-V801 HydrophobicContact CG2-CB 4.26Å; I757-V801 HydrophobicContact CG2-CG2 3.56Å; I757-V813 HydrophobicContact CD1-CG1 4.19Å; I757-V813 HydrophobicContact CG2-CG2 4.18Å; I757-I816 HydrophobicContact CD1-CB 4.17Å; I757-I816 HydrophobicContact CD1-CG2 3.71Å; I757-I816 HydrophobicContact CG1-CG2 4.03Å; I757-I817 HydrophobicContact CD1-CD1 4.44Å; I757-I817 HydrophobicContact CD1-CG1 3.88Å
758	F	98.3	Very high	95.1	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	-107.2	121.4	174.4	176	-114.1	0	0	0	111.2	L649 K760 A786 L789 E790 F797 A799 I800 V801	L649-F758 HydrophobicContact CB-CD2 4.12Å; L649-F758 CarbonylContact O-C 3.55Å; L649-F758 WeakPolarHBondContact O-CA 3.36Å; F758-K760 HydrophobicContact CD1-CB 4.05Å; F758-K760 HydrophobicContact CE1-CB 3.69Å; F758-K760 HydrophobicContact CE1-CG 4.03Å; F758-K760 PolarHBondContact O-N 2.78Å; F758-A786 HydrophobicContact CE2-CB 4.43Å; F758-A786 HydrophobicContact CZ-CB 4.19Å; F758-A786 VanDerWaalsContact CZ-O 3.29Å; F758-A786 WeakPolarHBondContact CZ-O 3.4Å; F758-L789 HydrophobicContact CE2-CB 3.97Å; F758-E790 HydrophobicContact CE1-CB 3.74Å; F758-E790 HydrophobicContact CE1-CG 4.05Å; F758-E790 HydrophobicContact CZ-CB 3.92Å; F758-F797 HydrophobicContact CB-CD1 4.08Å; F758-F797 HydrophobicContact CB-CD2 3.35Å; F758-F797 HydrophobicContact CB-CE1 4.07Å; F758-F797 HydrophobicContact CB-CE2 3.34Å; F758-F797 HydrophobicContact CB-CG 3.75Å; F758-F797 HydrophobicContact CB-CZ 3.72Å; F758-F797 HydrophobicContact CD1-CD2 4.13Å; F758-F797 AromaticContact CD1-CE2 3.64Å; F758-F797 HydrophobicContact CD1-CE2 3.64Å; F758-F797 HydrophobicContact CD1-CZ 4.4Å; F758-F797 AromaticContact CD2-CE2 3.98Å; F758-F797 HydrophobicContact CD2-CE2 3.98Å; F758-F797 AromaticContact CD2-CZ 3.91Å; F758-F797 HydrophobicContact CD2-CZ 3.91Å; F758-F797 HydrophobicContact CE1-CE2 4.45Å; F758-F797 AromaticContact CG-CD2 3.88Å; F758-F797 HydrophobicContact CG-CD2 3.88Å; F758-F797 AromaticContact CG-CE2 3.37Å; F758-F797 HydrophobicContact CG-CE2 3.37Å; F758-F797 AromaticContact CG-CZ 3.75Å; F758-F797 HydrophobicContact CG-CZ 3.75Å; F758-A799 PolarHBondContact N-O 3.08Å; F758-A799 VanDerWaalsContact N-O 3.07Å; F758-I800 HydrophobicContact CB-CG1 4.48Å; F758-I800 HydrophobicContact CD1-CG1 4.34Å; F758-I800 HydrophobicContact CD1-CG2 4.15Å; F758-I800 CarbonylContact O-C 3.5Å; F758-I800 WeakPolarHBondContact O-CA 3.41Å; F758-V801 PolarHBondContact O-N 3.04Å
759	I	98.1	Very high	94.9	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	107.1	174.5	-58.7	167.9	0	0	0	107.5	I648 L649 P651 I656 P761 I809	I648-I759 HydrophobicContact CG2-CD1 3.58Å; I648-I759 HydrophobicContact CG2-CG1 4.14Å; L649-I759 PolarHBondContact O-N 2.63Å; P651-I759 WeakPolarHBondContact CD-O 3.13Å; P651-I759 VanDerWaalsContact O-CD1 3.3Å; P651-I759 WeakPolarHBondContact O-CD1 3.1Å; I656-I759 HydrophobicContact CD1-CD1 3.43Å; I656-I759 VanDerWaalsContact CD1-CD1 3.43Å; I759-P761 WeakPolarHBondContact O-CD 3.24Å; I759-I809 HydrophobicContact CD1-CG2 4.04Å; I759-I809 HydrophobicContact CG1-CG2 4.03Å; I759-I809 HydrophobicContact CG2-CD1 4.1Å; I759-I809 HydrophobicContact CG2-CG2 3.98Å
760	K	96.5	Very high	94.8	Very high	61 Å²	61	34 Å²	34	27%	0.265	17%	0.166	S	C	.	.			trans	-94.2	108.6	-178.6	-175.4	172.9	179	165.8	0	110.5	F758 E790 I800 V801 Q802	F758-K760 HydrophobicContact CD1-CB 4.05Å; F758-K760 HydrophobicContact CE1-CB 3.69Å; F758-K760 HydrophobicContact CE1-CG 4.03Å; F758-K760 PolarHBondContact O-N 2.78Å; K760-E790 WeakPolarHBondContact CE-OE1 3.43Å; K760-E790 WeakPolarHBondContact CE-OE2 3.35Å; K760-E790 VanDerWaalsContact NZ-CD 3.3Å; K760-E790 IonicContact NZ-OE1 2.66Å; K760-E790 PolarHBondContact NZ-OE1 3.07Å; K760-E790 IonicContact NZ-OE2 2.72Å; K760-E790 PolarHBondContact NZ-OE2 3.13Å; K760-E790 VanDerWaalsContact NZ-OE2 3.12Å; K760-I800 HydrophobicContact CB-CG2 3.68Å; K760-I800 HydrophobicContact CD-CG2 4.13Å; K760-V801 PolarHBondContact N-O 2.93Å; K760-Q802 WeakPolarHBondContact O-CG 3.48Å; K760-Q802 PolarHBondContact O-NE2 3.28Å
761	P	94.9	Very high	94.5	Very high	4 Å²	4	34.5 Å²	34.5	3%	0.026	17%	0.166	C	C	.	.			trans	-62.4	145.1	174.8	27.3	-33.5	0	0	0	110.8	P651 I759 I767 F783 A786 Q802	P651-P761 HydrophobicContact CG-CB 4.14Å; P651-P761 HydrophobicContact CG-CG 4.02Å; I759-P761 WeakPolarHBondContact O-CD 3.24Å; P761-I767 HydrophobicContact CB-CD1 3.76Å; P761-I767 HydrophobicContact CB-CG1 3.66Å; P761-I767 HydrophobicContact CG-CD1 4.06Å; P761-I767 HydrophobicContact CG-CG1 4.48Å; P761-F783 HydrophobicContact CB-CD2 4Å; P761-F783 HydrophobicContact CB-CE2 4.28Å; P761-F783 HydrophobicContact CG-CD2 3.67Å; P761-F783 HydrophobicContact CG-CE2 3.97Å; P761-A786 HydrophobicContact CG-CB 3.79Å; P761-Q802 PolarHBondContact O-NE2 3.31Å
762	K	94.3	Very high	93.9	Very high	89 Å²	89	38.3 Å²	38.3	39%	0.387	18%	0.181	S	C	.	.	S	Bend	trans	-72.1	-39	174.2	-64.7	-173.7	180	-170.3	0	111.7	N766 Q802 D804	K762-N766 HydrophobicContact CB-CB 4.01Å; K762-N766 PolarHBondContact N-OD1 3.47Å; K762-Q802 HydrophobicContact CD-CG 4.36Å; K762-Q802 HydrophobicContact CG-CG 3.64Å; K762-D804 WeakPolarHBondContact CE-OD1 3.4Å; K762-D804 IonicContact NZ-OD1 3.82Å; K762-D804 PolarHBondContact NZ-OD1 2.77Å; K762-D804 IonicContact NZ-OD2 2.78Å; K762-D804 PolarHBondContact NZ-OD2 2.85Å
763	S	94.1	Very high	93.5	Very high	35 Å²	35	48.3 Å²	48.3	25%	0.245	22%	0.218	C	C	.	.	S	Bend	trans	-162.7	-173.5	-177.8	73.3	0	0	0	0	110.1	E765 N766 F783	S763-E765 WeakPolarHBondContact CB-OE2 3.36Å; S763-E765 PolarHBondContact OG-N 2.57Å; S763-E765 PolarHBondContact OG-OE2 2.73Å; S763-N766 PolarHBondContact OG-N 2.83Å; S763-F783 WeakPolarHBondContact O-CD2 3.39Å
764	M	93.5	Very high	92.9	Very high	53 Å²	53	48.2 Å²	48.2	26%	0.261	22%	0.22	S	C	.	.	H	α-helix	trans	-74.2	-35	173	71.5	-179.5	-165.7	0	0	112	N766 I767 M768 E776	M764-N766 PolarHBondContact O-N 3.08Å; M764-I767 WeakPolarHBondContact O-CB 3.27Å; M764-I767 PolarHBondContact O-N 2.92Å; M764-I767 VanDerWaalsContact O-N 3.12Å; M764-M768 PolarHBondContact O-N 3.08Å; M764-E776 HydrophobicContact CE-CG 4.07Å; M764-E776 WeakPolarHBondContact CE-OE1 3.25Å; M764-E776 HydrophobicContact SD-CG 4.43Å
765	E	92.6	Very high	92.7	Very high	94 Å²	94	50.3 Å²	50.3	44%	0.439	23%	0.232	S	C	.	.	H	α-helix	trans	-62.4	-44.3	178.7	-56.1	77.3	-171.5	0	0	110.5	S763 I767 M768 E769	S763-E765 WeakPolarHBondContact CB-OE2 3.36Å; S763-E765 PolarHBondContact OG-N 2.57Å; S763-E765 PolarHBondContact OG-OE2 2.73Å; E765-I767 PolarHBondContact O-N 3.33Å; E765-M768 CarbonylContact O-C 3.54Å; E765-M768 WeakPolarHBondContact O-CA 3.5Å; E765-M768 WeakPolarHBondContact O-CB 3.21Å; E765-M768 PolarHBondContact O-N 3.38Å; E765-E769 WeakPolarHBondContact O-CG 3.37Å; E765-E769 PolarHBondContact O-N 2.86Å
766	N	93.1	Very high	92.3	Very high	4 Å²	4	56 Å²	56	2%	0.021	26%	0.259	C	S	.	.	H	α-helix	trans	-56.9	-33.1	174.3	169.7	-120.6	0	0	0	112.9	K762 S763 M764 M770 G803	K762-N766 HydrophobicContact CB-CB 4.01Å; K762-N766 PolarHBondContact N-OD1 3.47Å; S763-N766 PolarHBondContact OG-N 2.83Å; M764-N766 PolarHBondContact O-N 3.08Å; N766-M770 VanDerWaalsContact O-CE 3.28Å; N766-M770 WeakPolarHBondContact O-CE 3.08Å; N766-M770 WeakPolarHBondContact O-CG 3.08Å; N766-M770 PolarHBondContact O-N 3.3Å; N766-M770 VanDerWaalsContact O-N 3.15Å; N766-G803 PolarHBondContact ND2-O 2.94Å
767	I	93.1	Very high	92	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-70.1	-40.1	172.9	-61.7	169.2	0	0	0	111.1	P651 P761 M764 E765 N771 L774 A779 T782 F783	P651-I767 HydrophobicContact CB-CG1 4.43Å; P651-I767 HydrophobicContact CG-CD1 4.14Å; P651-I767 HydrophobicContact CG-CG1 4.17Å; P761-I767 HydrophobicContact CB-CD1 3.76Å; P761-I767 HydrophobicContact CB-CG1 3.66Å; P761-I767 HydrophobicContact CG-CD1 4.06Å; P761-I767 HydrophobicContact CG-CG1 4.48Å; M764-I767 WeakPolarHBondContact O-CB 3.27Å; M764-I767 PolarHBondContact O-N 2.92Å; M764-I767 VanDerWaalsContact O-N 3.12Å; E765-I767 PolarHBondContact O-N 3.33Å; I767-N771 PolarHBondContact O-N 3.42Å; I767-L774 HydrophobicContact CG2-CD2 3.91Å; I767-A779 HydrophobicContact CB-CB 4.44Å; I767-A779 HydrophobicContact CG2-CB 4.28Å; I767-T782 HydrophobicContact CD1-CG2 4.2Å; I767-T782 HydrophobicContact CG2-CG2 4.27Å; I767-F783 HydrophobicContact CD1-CB 3.81Å; I767-F783 HydrophobicContact CD1-CD2 4.14Å
768	M	91.3	Very high	91.6	Very high	59 Å²	59	62.3 Å²	62.3	29%	0.291	29%	0.288	S	S	.	.	H	α-helix	trans	-69.6	-33.7	176.8	-62.1	177	71.7	0	0	112.3	M764 E765 N771 K772 E776 A779	M764-M768 PolarHBondContact O-N 3.08Å; E765-M768 CarbonylContact O-C 3.54Å; E765-M768 WeakPolarHBondContact O-CA 3.5Å; E765-M768 WeakPolarHBondContact O-CB 3.21Å; E765-M768 PolarHBondContact O-N 3.38Å; M768-N771 CarbonylContact O-C 3.49Å; M768-N771 PolarHBondContact O-N 3.28Å; M768-K772 WeakPolarHBondContact O-CA 3.45Å; M768-K772 WeakPolarHBondContact O-CG 3.2Å; M768-K772 PolarHBondContact O-N 2.84Å; M768-E776 HydrophobicContact CE-CB 4.16Å; M768-E776 HydrophobicContact SD-CB 4.22Å; M768-E776 HydrophobicContact SD-CG 4.42Å; M768-A779 HydrophobicContact CG-CB 3.43Å; M768-A779 VanDerWaalsContact CG-CB 3.43Å; M768-A779 HydrophobicContact SD-CB 4.02Å
769	E	90.3	Very high	91.3	Very high	122 Å²	122	62.3 Å²	62.3	57%	0.57	29%	0.288	S	S	*	.	H	α-helix	trans	-66.2	-46.3	174.6	-72.4	176.1	146.2	0	0	111.6	E765 N771 K772	E765-E769 WeakPolarHBondContact O-CG 3.37Å; E765-E769 PolarHBondContact O-N 2.86Å; E769-N771 VanDerWaalsContact C-N 3.34Å; E769-N771 PolarHBondContact O-N 2.63Å; E769-K772 WeakPolarHBondContact O-CE 3.2Å
770	M	88.3	Confident	91.1	Very high	22 Å²	22	66.5 Å²	66.5	11%	0.108	30%	0.304	C	S	.	.	H	α-helix	trans	-64.9	-32.8	175.2	-74.3	-173	-77.3	0	0	113.3	M652 N766 I809	M652-M770 HydrophobicContact CG-CB 4.35Å; M652-M770 HydrophobicContact CG-SD 4.43Å; N766-M770 VanDerWaalsContact O-CE 3.28Å; N766-M770 WeakPolarHBondContact O-CE 3.08Å; N766-M770 WeakPolarHBondContact O-CG 3.08Å; N766-M770 PolarHBondContact O-N 3.3Å; N766-M770 VanDerWaalsContact O-N 3.15Å; M770-I809 HydrophobicContact CE-CD1 4.33Å; M770-I809 HydrophobicContact SD-CD1 3.41Å; M770-I809 WeakPolarHBondContact SD-CD1 3.26Å
771	N	87.9	Confident	91.1	Very high	34 Å²	34	68.5 Å²	68.5	18%	0.182	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-141.5	86.6	175.3	-172	0.5	0	0	0	112.1	M652 I767 M768 E769 R773 L774	M652-N771 HydrophobicContact CE-CB 3.89Å; M652-N771 HydrophobicContact SD-CB 3.75Å; I767-N771 PolarHBondContact O-N 3.42Å; M768-N771 CarbonylContact O-C 3.49Å; M768-N771 PolarHBondContact O-N 3.28Å; E769-N771 VanDerWaalsContact C-N 3.34Å; E769-N771 PolarHBondContact O-N 2.63Å; N771-R773 PolarHBondContact O-N 2.85Å; N771-R773 PolarHBondContact OD1-N 2.59Å; N771-L774 HydrophobicContact CB-CD1 4.11Å; N771-L774 VanDerWaalsContact ND2-CD1 3.26Å; N771-L774 WeakPolarHBondContact ND2-CD1 3.15Å; N771-L774 PolarHBondContact O-N 3.11Å
772	K	83	Confident	91.1	Very high	183 Å²	183	69.7 Å²	69.7	80%	0.796	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	9.5	-178.6	-56	-179.6	-178.1	-178.3	0	115.3	M768 E769	M768-K772 WeakPolarHBondContact O-CA 3.45Å; M768-K772 WeakPolarHBondContact O-CG 3.2Å; M768-K772 PolarHBondContact O-N 2.84Å; E769-K772 WeakPolarHBondContact O-CE 3.2Å
773	R	86.2	Confident	91.1	Very high	214 Å²	214	68.1 Å²	68.1	81%	0.808	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104	-11	173	-59.8	-177.9	-66.5	-180	-0.2	113.1	N771	N771-R773 PolarHBondContact O-N 2.85Å; N771-R773 PolarHBondContact OD1-N 2.59Å
774	L	84.7	Confident	91.2	Very high	29 Å²	29	71.2 Å²	71.2	15%	0.152	32%	0.324	C	S	.	.	S	Bend	trans	-75.8	138.8	169.4	-93	69.7	0	0	0	109.8	I767 N771 Q778	I767-L774 HydrophobicContact CG2-CD2 3.91Å; N771-L774 HydrophobicContact CB-CD1 4.11Å; N771-L774 VanDerWaalsContact ND2-CD1 3.26Å; N771-L774 WeakPolarHBondContact ND2-CD1 3.15Å; N771-L774 PolarHBondContact O-N 3.11Å; L774-Q778 HydrophobicContact CB-CB 4.3Å; L774-Q778 HydrophobicContact CD2-CB 4.26Å; L774-Q778 HydrophobicContact CG-CB 4.02Å
775	T	91.4	Very high	91.3	Very high	50 Å²	50	76.6 Å²	76.6	31%	0.307	34%	0.341	S	S	.	.			trans	-77.4	162	165.3	63.4	0	0	0	0	110.5	D166 E777 Q778 A779	D166-T775 HydrophobicContact CB-CG2 4.3Å; D166-T775 VanDerWaalsContact OD2-CB 3.27Å; D166-T775 WeakPolarHBondContact OD2-CB 3.45Å; D166-T775 WeakPolarHBondContact OD2-CG2 3.29Å; D166-T775 PolarHBondContact OD2-OG1 2.92Å; T775-E777 VanDerWaalsContact C-N 3.27Å; T775-E777 PolarHBondContact O-N 3.18Å; T775-Q778 WeakPolarHBondContact O-CB 3.31Å; T775-Q778 PolarHBondContact O-N 3.42Å; T775-Q778 VanDerWaalsContact O-N 3.09Å; T775-Q778 VanDerWaalsContact OG1-CG 3.27Å; T775-Q778 WeakPolarHBondContact OG1-CG 3.46Å; T775-Q778 PolarHBondContact OG1-N 3.14Å; T775-A779 PolarHBondContact O-N 2.87Å
776	E	89.8	Confident	91.4	Very high	120 Å²	120	72.1 Å²	72.1	56%	0.561	32%	0.32	S	S	*	.	H	α-helix	trans	-55.8	-40.9	-179.9	-172	-179.7	171	0	0	112.3	M764 M768 A779 R780	M764-E776 HydrophobicContact CE-CG 4.07Å; M764-E776 WeakPolarHBondContact CE-OE1 3.25Å; M764-E776 HydrophobicContact SD-CG 4.43Å; M768-E776 HydrophobicContact CE-CB 4.16Å; M768-E776 HydrophobicContact SD-CB 4.22Å; M768-E776 HydrophobicContact SD-CG 4.42Å; E776-A779 PolarHBondContact O-N 3.44Å; E776-R780 WeakPolarHBondContact O-CB 3.37Å; E776-R780 PolarHBondContact O-N 3.31Å
777	E	92.4	Very high	91.5	Very high	75 Å²	75	75.6 Å²	75.6	35%	0.35	34%	0.337	S	S	.	.	H	α-helix	trans	-68.1	-35.5	177.5	172.9	60.2	-174.8	0	0	112.7	T775 R780 K781	T775-E777 VanDerWaalsContact C-N 3.27Å; T775-E777 PolarHBondContact O-N 3.18Å; E777-R780 IonicContact OE1-CZ 3.38Å; E777-R780 IonicContact OE1-NH2 3.19Å; E777-R780 PolarHBondContact OE1-NH2 2.96Å; E777-R780 IonicContact OE2-CZ 3.26Å; E777-R780 IonicContact OE2-NE 2.66Å; E777-R780 PolarHBondContact OE2-NE 3.42Å; E777-R780 IonicContact OE2-NH2 3.97Å; E777-R780 PolarHBondContact OE2-NH2 3.34Å; E777-K781 HydrophobicContact CG-CD 4.38Å; E777-K781 WeakPolarHBondContact O-CB 3.34Å; E777-K781 WeakPolarHBondContact O-CD 3.43Å; E777-K781 WeakPolarHBondContact O-CG 3.46Å; E777-K781 PolarHBondContact O-N 2.8Å; E777-K781 VanDerWaalsContact O-N 3.08Å; E777-K781 WeakPolarHBondContact OE1-CE 3.31Å; E777-K781 IonicContact OE1-NZ 3.79Å; E777-K781 PolarHBondContact OE1-NZ 3.49Å
778	Q	90.2	Very high	91.6	Very high	59 Å²	59	81.4 Å²	81.4	28%	0.276	36%	0.363	S	S	.	.	H	α-helix	trans	-69.6	-39.9	171.9	-67.5	174.5	14.5	0	0	111.5	D166 L774 T775 T782	D166-Q778 PolarHBondContact OD1-NE2 3.44Å; L774-Q778 HydrophobicContact CB-CB 4.3Å; L774-Q778 HydrophobicContact CD2-CB 4.26Å; L774-Q778 HydrophobicContact CG-CB 4.02Å; T775-Q778 WeakPolarHBondContact O-CB 3.31Å; T775-Q778 PolarHBondContact O-N 3.42Å; T775-Q778 VanDerWaalsContact O-N 3.09Å; T775-Q778 VanDerWaalsContact OG1-CG 3.27Å; T775-Q778 WeakPolarHBondContact OG1-CG 3.46Å; T775-Q778 PolarHBondContact OG1-N 3.14Å; Q778-T782 WeakPolarHBondContact O-CB 3.08Å; Q778-T782 PolarHBondContact O-N 2.72Å; Q778-T782 PolarHBondContact O-OG1 3.25Å
779	A	91.8	Very high	91.8	Very high	0 Å²	0	80.2 Å²	80.2	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-64.5	-44.9	175.5	0	0	0	0	0	111.6	I767 M768 T775 E776 T782 F783	I767-A779 HydrophobicContact CB-CB 4.44Å; I767-A779 HydrophobicContact CG2-CB 4.28Å; M768-A779 HydrophobicContact CG-CB 3.43Å; M768-A779 VanDerWaalsContact CG-CB 3.43Å; M768-A779 HydrophobicContact SD-CB 4.02Å; T775-A779 PolarHBondContact O-N 2.87Å; E776-A779 PolarHBondContact O-N 3.44Å; A779-T782 CarbonylContact O-C 3.58Å; A779-T782 WeakPolarHBondContact O-CA 3.38Å; A779-T782 WeakPolarHBondContact O-CB 3.31Å; A779-T782 PolarHBondContact O-N 3.03Å; A779-T782 VanDerWaalsContact O-N 3.09Å; A779-F783 WeakPolarHBondContact O-CB 3.49Å; A779-F783 PolarHBondContact O-N 2.81Å
780	R	94.7	Very high	91.9	Very high	90 Å²	90	75.9 Å²	75.9	34%	0.34	34%	0.337	S	S	.	.	H	α-helix	trans	-56.7	-51.3	173.1	-172.7	-171.9	67.3	78.5	1.7	111.8	E776 E777 T782 F783 E784	E776-R780 WeakPolarHBondContact O-CB 3.37Å; E776-R780 PolarHBondContact O-N 3.31Å; E777-R780 IonicContact OE1-CZ 3.38Å; E777-R780 IonicContact OE1-NH2 3.19Å; E777-R780 PolarHBondContact OE1-NH2 2.96Å; E777-R780 IonicContact OE2-CZ 3.26Å; E777-R780 IonicContact OE2-NE 2.66Å; E777-R780 PolarHBondContact OE2-NE 3.42Å; E777-R780 IonicContact OE2-NH2 3.97Å; E777-R780 PolarHBondContact OE2-NH2 3.34Å; R780-T782 PolarHBondContact O-N 3.29Å; R780-F783 PolarHBondContact O-N 2.82Å; R780-E784 IonicContact CZ-OE1 2.67Å; R780-E784 IonicContact CZ-OE2 3.34Å; R780-E784 IonicContact NH1-OE1 3Å; R780-E784 PolarHBondContact NH1-OE1 2.84Å; R780-E784 IonicContact NH1-OE2 4Å; R780-E784 PolarHBondContact NH1-OE2 3.49Å; R780-E784 WeakPolarHBondContact O-CG 3.42Å; R780-E784 PolarHBondContact O-N 3.42Å
781	K	95.3	Very high	92	Very high	103 Å²	103	83.1 Å²	83.1	45%	0.448	37%	0.37	S	S	.	.	H	α-helix	trans	-58.7	-30.7	174.8	-78.9	165	169	143.7	0	113.1	E777 R785	E777-K781 HydrophobicContact CG-CD 4.38Å; E777-K781 WeakPolarHBondContact O-CB 3.34Å; E777-K781 WeakPolarHBondContact O-CD 3.43Å; E777-K781 WeakPolarHBondContact O-CG 3.46Å; E777-K781 PolarHBondContact O-N 2.8Å; E777-K781 VanDerWaalsContact O-N 3.08Å; E777-K781 WeakPolarHBondContact OE1-CE 3.31Å; E777-K781 IonicContact OE1-NZ 3.79Å; E777-K781 PolarHBondContact OE1-NZ 3.49Å; K781-R785 WeakPolarHBondContact O-CB 3.23Å; K781-R785 PolarHBondContact O-N 3.3Å
782	T	94.6	Very high	92.3	Very high	29 Å²	29	85.5 Å²	85.5	18%	0.178	38%	0.381	C	S	.	.	H	α-helix	trans	-79.1	-39.8	178.5	-57.8	0	0	0	0	111.2	P651 I767 Q778 A779 R780 R785 A786	P651-T782 HydrophobicContact CB-CG2 4.19Å; P651-T782 HydrophobicContact CG-CG2 4.19Å; I767-T782 HydrophobicContact CD1-CG2 4.2Å; I767-T782 HydrophobicContact CG2-CG2 4.27Å; Q778-T782 WeakPolarHBondContact O-CB 3.08Å; Q778-T782 PolarHBondContact O-N 2.72Å; Q778-T782 PolarHBondContact O-OG1 3.25Å; A779-T782 CarbonylContact O-C 3.58Å; A779-T782 WeakPolarHBondContact O-CA 3.38Å; A779-T782 WeakPolarHBondContact O-CB 3.31Å; A779-T782 PolarHBondContact O-N 3.03Å; A779-T782 VanDerWaalsContact O-N 3.09Å; R780-T782 PolarHBondContact O-N 3.29Å; T782-R785 PolarHBondContact O-N 3.45Å; T782-A786 WeakPolarHBondContact O-CB 3.37Å; T782-A786 PolarHBondContact O-N 2.86Å
783	F	96	Very high	92.8	Very high	56 Å²	56	77 Å²	77	25%	0.246	34%	0.344	C	S	.	.	H	α-helix	trans	-62.3	-50	172.5	-171.3	-98.5	0	0	0	111.5	P761 S763 I767 A779 R780 R785 A786 M787	P761-F783 HydrophobicContact CB-CD2 4Å; P761-F783 HydrophobicContact CB-CE2 4.28Å; P761-F783 HydrophobicContact CG-CD2 3.67Å; P761-F783 HydrophobicContact CG-CE2 3.97Å; S763-F783 WeakPolarHBondContact O-CD2 3.39Å; I767-F783 HydrophobicContact CD1-CB 3.81Å; I767-F783 HydrophobicContact CD1-CD2 4.14Å; A779-F783 WeakPolarHBondContact O-CB 3.49Å; A779-F783 PolarHBondContact O-N 2.81Å; R780-F783 PolarHBondContact O-N 2.82Å; F783-R785 VanDerWaalsContact C-N 3.3Å; F783-R785 PolarHBondContact O-N 2.88Å; F783-A786 WeakPolarHBondContact O-CB 3.32Å; F783-A786 PolarHBondContact O-N 2.77Å; F783-A786 VanDerWaalsContact O-N 3.08Å; F783-M787 HydrophobicContact CD1-CG 3.99Å; F783-M787 HydrophobicContact CE1-CG 3.65Å; F783-M787 HydrophobicContact CE1-SD 4.15Å; F783-M787 HydrophobicContact CE2-SD 4.34Å; F783-M787 HydrophobicContact CZ-CG 3.99Å; F783-M787 HydrophobicContact CZ-SD 3.85Å; F783-M787 WeakPolarHBondContact O-CG 3.5Å; F783-M787 PolarHBondContact O-N 3Å
784	E	95.8	Very high	93.1	Very high	99 Å²	99	67.3 Å²	67.3	46%	0.463	31%	0.308	S	S	.	.	H	α-helix	trans	-59.1	-39.6	176.8	-73.4	172	-178.5	0	0	112.3	R780 K788	R780-E784 IonicContact CZ-OE1 2.67Å; R780-E784 IonicContact CZ-OE2 3.34Å; R780-E784 IonicContact NH1-OE1 3Å; R780-E784 PolarHBondContact NH1-OE1 2.84Å; R780-E784 IonicContact NH1-OE2 4Å; R780-E784 PolarHBondContact NH1-OE2 3.49Å; R780-E784 WeakPolarHBondContact O-CG 3.42Å; R780-E784 PolarHBondContact O-N 3.42Å; E784-K788 PolarHBondContact O-N 3.49Å
785	R	94.8	Very high	93.5	Very high	166 Å²	166	69 Å²	69	63%	0.626	32%	0.315	S	S	*	.	H	α-helix	trans	-65	-41.8	173.9	-169.7	-172.2	-55.3	164.5	5.1	111.9	K781 T782 F783 K788 L789	K781-R785 WeakPolarHBondContact O-CB 3.23Å; K781-R785 PolarHBondContact O-N 3.3Å; T782-R785 PolarHBondContact O-N 3.45Å; F783-R785 VanDerWaalsContact C-N 3.3Å; F783-R785 PolarHBondContact O-N 2.88Å; R785-K788 PolarHBondContact O-N 2.91Å; R785-L789 HydrophobicContact CG-CD1 4.45Å; R785-L789 WeakPolarHBondContact O-CG 3.3Å; R785-L789 PolarHBondContact O-N 3.25Å
786	A	95.9	Very high	93.6	Very high	1 Å²	1	67.8 Å²	67.8	1%	0.008	31%	0.306	C	S	.	.	H	α-helix	trans	-64.7	-46.5	176.4	0	0	0	0	0	111.4	P651 F758 P761 T782 F783 K788 L789 E790	P651-A786 HydrophobicContact CG-CB 4.48Å; F758-A786 HydrophobicContact CE2-CB 4.43Å; F758-A786 HydrophobicContact CZ-CB 4.19Å; F758-A786 VanDerWaalsContact CZ-O 3.29Å; F758-A786 WeakPolarHBondContact CZ-O 3.4Å; P761-A786 HydrophobicContact CG-CB 3.79Å; T782-A786 WeakPolarHBondContact O-CB 3.37Å; T782-A786 PolarHBondContact O-N 2.86Å; F783-A786 WeakPolarHBondContact O-CB 3.32Å; F783-A786 PolarHBondContact O-N 2.77Å; F783-A786 VanDerWaalsContact O-N 3.08Å; A786-K788 VanDerWaalsContact C-N 3.29Å; A786-K788 PolarHBondContact O-N 3.32Å; A786-L789 WeakPolarHBondContact O-CB 3.44Å; A786-L789 PolarHBondContact O-N 3.45Å; A786-L789 VanDerWaalsContact O-N 3.11Å; A786-E790 PolarHBondContact O-N 3.09Å
787	M	94.8	Very high	93.9	Very high	76 Å²	76	62.1 Å²	62.1	37%	0.374	28%	0.28	S	S	.	.	H	α-helix	trans	-60.4	-36.9	176.3	-65.5	-49.8	-52.2	0	0	112.5	F783 E790 Q791	F783-M787 HydrophobicContact CD1-CG 3.99Å; F783-M787 HydrophobicContact CE1-CG 3.65Å; F783-M787 HydrophobicContact CE1-SD 4.15Å; F783-M787 HydrophobicContact CE2-SD 4.34Å; F783-M787 HydrophobicContact CZ-CG 3.99Å; F783-M787 HydrophobicContact CZ-SD 3.85Å; F783-M787 WeakPolarHBondContact O-CG 3.5Å; F783-M787 PolarHBondContact O-N 3Å; M787-E790 WeakPolarHBondContact CE-OE2 3.42Å; M787-Q791 WeakPolarHBondContact O-CB 3.39Å; M787-Q791 PolarHBondContact O-N 2.92Å
788	K	94.6	Very high	94	Very high	122 Å²	122	59.5 Å²	59.5	53%	0.53	27%	0.269	S	S	.	.	H	α-helix	trans	-67.8	-42.4	172.8	-167.9	-176.4	-175	-99.5	0	112.3	E784 R785 A786 E790 Q791 E792	E784-K788 PolarHBondContact O-N 3.49Å; R785-K788 PolarHBondContact O-N 2.91Å; A786-K788 VanDerWaalsContact C-N 3.29Å; A786-K788 PolarHBondContact O-N 3.32Å; K788-E790 VanDerWaalsContact C-N 3.31Å; K788-E790 PolarHBondContact O-N 3.47Å; K788-Q791 PolarHBondContact O-N 3.25Å; K788-E792 IonicContact NZ-OE2 2.64Å; K788-E792 PolarHBondContact NZ-OE2 3.43Å; K788-E792 VanDerWaalsContact O-CB 3.29Å; K788-E792 WeakPolarHBondContact O-CB 3.45Å; K788-E792 PolarHBondContact O-N 2.97Å
789	L	94.6	Very high	94.3	Very high	34 Å²	34	57.2 Å²	57.2	18%	0.178	26%	0.26	C	S	.	.	H	α-helix	trans	-61.5	-40.4	176.4	-76.3	168.9	0	0	0	111.5	F758 R785 A786 F793	F758-L789 HydrophobicContact CE2-CB 3.97Å; R785-L789 HydrophobicContact CG-CD1 4.45Å; R785-L789 WeakPolarHBondContact O-CG 3.3Å; R785-L789 PolarHBondContact O-N 3.25Å; A786-L789 WeakPolarHBondContact O-CB 3.44Å; A786-L789 PolarHBondContact O-N 3.45Å; A786-L789 VanDerWaalsContact O-N 3.11Å; L789-F793 HydrophobicContact CD2-CD2 4.02Å; L789-F793 HydrophobicContact CD2-CE2 4.17Å; L789-F793 WeakPolarHBondContact O-CB 3.28Å; L789-F793 PolarHBondContact O-N 2.91Å
790	E	94	Very high	94.6	Very high	31 Å²	31	59.3 Å²	59.3	15%	0.145	27%	0.271	C	S	.	.	H	α-helix	trans	-58.3	-55.4	171.2	-168.8	175.5	-169.8	0	0	110.4	F758 K760 A786 M787 K788 E792 F793 T794	F758-E790 HydrophobicContact CE1-CB 3.74Å; F758-E790 HydrophobicContact CE1-CG 4.05Å; F758-E790 HydrophobicContact CZ-CB 3.92Å; K760-E790 WeakPolarHBondContact CE-OE1 3.43Å; K760-E790 WeakPolarHBondContact CE-OE2 3.35Å; K760-E790 VanDerWaalsContact NZ-CD 3.3Å; K760-E790 IonicContact NZ-OE1 2.66Å; K760-E790 PolarHBondContact NZ-OE1 3.07Å; K760-E790 IonicContact NZ-OE2 2.72Å; K760-E790 PolarHBondContact NZ-OE2 3.13Å; K760-E790 VanDerWaalsContact NZ-OE2 3.12Å; A786-E790 PolarHBondContact O-N 3.09Å; M787-E790 WeakPolarHBondContact CE-OE2 3.42Å; K788-E790 VanDerWaalsContact C-N 3.31Å; K788-E790 PolarHBondContact O-N 3.47Å; E790-E792 VanDerWaalsContact C-N 3.3Å; E790-E792 PolarHBondContact O-N 2.98Å; E790-F793 PolarHBondContact O-N 3.48Å; E790-T794 VanDerWaalsContact CG-OG1 3.27Å; E790-T794 WeakPolarHBondContact CG-OG1 3.47Å; E790-T794 WeakPolarHBondContact O-CB 3.49Å; E790-T794 PolarHBondContact O-N 3.09Å; E790-T794 PolarHBondContact O-OG1 2.71Å
791	Q	90.3	Very high	94.7	Very high	174 Å²	174	55 Å²	55	81%	0.813	26%	0.255	S	S	*	.	H	α-helix	trans	-59.8	-35.3	-178.1	-170.5	179.4	18.2	0	0	113.9	M787 K788	M787-Q791 WeakPolarHBondContact O-CB 3.39Å; M787-Q791 PolarHBondContact O-N 2.92Å; K788-Q791 PolarHBondContact O-N 3.25Å
792	E	93	Very high	94.7	Very high	85 Å²	85	54.1 Å²	54.1	40%	0.397	25%	0.252	S	S	.	.	H	α-helix	trans	-90	-22.8	-173.8	-166.8	176.1	155.3	0	0	113.7	K788 E790	K788-E792 IonicContact NZ-OE2 2.64Å; K788-E792 PolarHBondContact NZ-OE2 3.43Å; K788-E792 VanDerWaalsContact O-CB 3.29Å; K788-E792 WeakPolarHBondContact O-CB 3.45Å; K788-E792 PolarHBondContact O-N 2.97Å; E790-E792 VanDerWaalsContact C-N 3.3Å; E790-E792 PolarHBondContact O-N 2.98Å
793	F	94.3	Very high	94.6	Very high	4 Å²	4	53 Å²	53	2%	0.018	25%	0.246	C	C	.	.	H	α-helix	trans	-132.1	-1.6	-170.7	-62.5	-79.8	0	0	0	116.9	G741 L789 E790 E795 H796 F797	G741-F793 WeakPolarHBondContact O-CE1 3.5Å; L789-F793 HydrophobicContact CD2-CD2 4.02Å; L789-F793 HydrophobicContact CD2-CE2 4.17Å; L789-F793 WeakPolarHBondContact O-CB 3.28Å; L789-F793 PolarHBondContact O-N 2.91Å; E790-F793 PolarHBondContact O-N 3.48Å; F793-E795 VanDerWaalsContact C-N 3.32Å; F793-E795 PolarHBondContact O-N 3.01Å; F793-E795 VanDerWaalsContact O-N 3.08Å; F793-H796 WeakPolarHBondContact O-CA 3.48Å; F793-H796 WeakPolarHBondContact O-CB 3.3Å; F793-H796 PolarHBondContact O-N 2.83Å; F793-F797 HydrophobicContact CB-CD1 4.48Å; F793-F797 HydrophobicContact CB-CE1 3.55Å; F793-F797 HydrophobicContact CB-CZ 3.66Å
794	T	93.3	Very high	94.3	Very high	11 Å²	11	54.7 Å²	54.7	7%	0.067	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-46.3	-46.6	-173.2	-70.2	0	0	0	0	115.2	F526 L630 E790 H796 F797 I800	F526-T794 HydrophobicContact CD2-CG2 4.42Å; F526-T794 HydrophobicContact CE2-CG2 3.51Å; F526-T794 HydrophobicContact CZ-CG2 4.02Å; F526-T794 WeakPolarHBondContact CZ-O 3.05Å; L630-T794 HydrophobicContact CD1-CG2 3.5Å; L630-T794 HydrophobicContact CD2-CG2 4Å; L630-T794 HydrophobicContact CG-CG2 4.41Å; E790-T794 VanDerWaalsContact CG-OG1 3.27Å; E790-T794 WeakPolarHBondContact CG-OG1 3.47Å; E790-T794 WeakPolarHBondContact O-CB 3.49Å; E790-T794 PolarHBondContact O-N 3.09Å; E790-T794 PolarHBondContact O-OG1 2.71Å; T794-H796 PolarHBondContact O-N 2.82Å; T794-F797 PolarHBondContact O-N 2.85Å; T794-F797 VanDerWaalsContact O-N 3.08Å; T794-I800 HydrophobicContact CG2-CD1 4.27Å
795	E	91.5	Very high	94.1	Very high	63 Å²	63	52.8 Å²	52.8	29%	0.294	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-58.1	-23	179.7	70.1	-167.8	155.3	0	0	114.1	R504 L506 Y628 L630 F793	R504-E795 PolarHBondContact NH2-O 2.83Å; L506-E795 HydrophobicContact CD1-CB 4.26Å; Y628-E795 HydrophobicContact CE1-CB 4.5Å; Y628-E795 VanDerWaalsContact CE1-OE2 3.25Å; Y628-E795 WeakPolarHBondContact CE1-OE2 3.29Å; L630-E795 HydrophobicContact CD2-CB 4.24Å; F793-E795 VanDerWaalsContact C-N 3.32Å; F793-E795 PolarHBondContact O-N 3.01Å; F793-E795 VanDerWaalsContact O-N 3.08Å
796	H	93.3	Very high	94	Very high	26 Å²	26	45.2 Å²	45.2	12%	0.12	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-89.9	-13.4	-179.3	-60.2	82.1	0	0	0	113.9	I744 K745 F793 T794	I744-H796 HydrophobicContact CD1-CB 4.24Å; I744-H796 HydrophobicContact CG2-CB 4.07Å; K745-H796 WeakPolarHBondContact CE-CE1 3.35Å; K745-H796 WeakPolarHBondContact CE-NE2 3.44Å; F793-H796 WeakPolarHBondContact O-CA 3.48Å; F793-H796 WeakPolarHBondContact O-CB 3.3Å; F793-H796 PolarHBondContact O-N 2.83Å; T794-H796 PolarHBondContact O-N 2.82Å
797	F	96.1	Very high	93.9	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.249	C	C	.	.			trans	-74.7	137.1	179.1	-54.9	-29.7	0	0	0	110.2	R504 F526 L649 I744 S756 F758 F793 T794 I800	R504-F797 PolarHBondContact NH1-O 3.47Å; F526-F797 HydrophobicContact CE1-CB 4.11Å; F526-F797 WeakPolarHBondContact CE1-O 3.38Å; F526-F797 HydrophobicContact CZ-CB 4.23Å; L649-F797 HydrophobicContact CD1-CE1 3.82Å; I744-F797 HydrophobicContact CD1-CD1 4.48Å; S756-F797 CarbonylContact O-C 3.52Å; S756-F797 WeakPolarHBondContact O-CA 3.48Å; F758-F797 HydrophobicContact CB-CD1 4.08Å; F758-F797 HydrophobicContact CB-CD2 3.35Å; F758-F797 HydrophobicContact CB-CE1 4.07Å; F758-F797 HydrophobicContact CB-CE2 3.34Å; F758-F797 HydrophobicContact CB-CG 3.75Å; F758-F797 HydrophobicContact CB-CZ 3.72Å; F758-F797 HydrophobicContact CD1-CD2 4.13Å; F758-F797 AromaticContact CD1-CE2 3.64Å; F758-F797 HydrophobicContact CD1-CE2 3.64Å; F758-F797 HydrophobicContact CD1-CZ 4.4Å; F758-F797 AromaticContact CD2-CE2 3.98Å; F758-F797 HydrophobicContact CD2-CE2 3.98Å; F758-F797 AromaticContact CD2-CZ 3.91Å; F758-F797 HydrophobicContact CD2-CZ 3.91Å; F758-F797 HydrophobicContact CE1-CE2 4.45Å; F758-F797 AromaticContact CG-CD2 3.88Å; F758-F797 HydrophobicContact CG-CD2 3.88Å; F758-F797 AromaticContact CG-CE2 3.37Å; F758-F797 HydrophobicContact CG-CE2 3.37Å; F758-F797 AromaticContact CG-CZ 3.75Å; F758-F797 HydrophobicContact CG-CZ 3.75Å; F793-F797 HydrophobicContact CB-CD1 4.48Å; F793-F797 HydrophobicContact CB-CE1 3.55Å; F793-F797 HydrophobicContact CB-CZ 3.66Å; T794-F797 PolarHBondContact O-N 2.85Å; T794-F797 VanDerWaalsContact O-N 3.08Å; F797-I800 HydrophobicContact CD2-CD1 4.38Å; F797-I800 HydrophobicContact CD2-CG1 4.08Å
798	T	96.1	Very high	93.9	Very high	20 Å²	20	50 Å²	50	12%	0.123	25%	0.249	C	C	.	.	S	Bend	trans	-70.3	-40.9	168.5	-49.6	0	0	0	0	110.3	G527 I755 S756 Q820	G527-T798 WeakPolarHBondContact CA-O 3.42Å; I755-T798 HydrophobicContact CG2-CG2 4.49Å; S756-T798 PolarHBondContact N-OG1 2.83Å; S756-T798 WeakPolarHBondContact O-CB 3.2Å; S756-T798 PolarHBondContact O-N 2.83Å; T798-Q820 HydrophobicContact CG2-CG 4.02Å
799	A	96.5	Very high	94	Very high	12 Å²	12	44.3 Å²	44.3	10%	0.099	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	157.2	179.4	0	0	0	0	0	111.8	S756 F758 I816	S756-A799 PolarHBondContact O-N 2.84Å; F758-A799 PolarHBondContact N-O 3.08Å; F758-A799 VanDerWaalsContact N-O 3.07Å; A799-I816 HydrophobicContact CB-CD1 3.87Å; A799-I816 HydrophobicContact CB-CG1 4.39Å; A799-I816 HydrophobicContact CB-CG2 3.8Å
800	I	96.9	Very high	94.2	Very high	44 Å²	44	43.7 Å²	43.7	23%	0.226	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	122.5	171	-63.1	174.6	0	0	0	107.9	F526 F758 K760 T794 F797	F526-I800 HydrophobicContact CD1-CB 4.28Å; F526-I800 HydrophobicContact CD1-CD1 3.98Å; F526-I800 HydrophobicContact CD1-CG1 3.76Å; F526-I800 HydrophobicContact CD2-CD1 3.83Å; F526-I800 HydrophobicContact CE1-CD1 4.12Å; F526-I800 HydrophobicContact CE1-CG1 3.88Å; F526-I800 HydrophobicContact CE2-CD1 3.97Å; F526-I800 HydrophobicContact CG-CD1 3.86Å; F526-I800 HydrophobicContact CG-CG1 4.13Å; F526-I800 HydrophobicContact CZ-CD1 4.13Å; F526-I800 HydrophobicContact CZ-CG1 4.33Å; F758-I800 HydrophobicContact CB-CG1 4.48Å; F758-I800 HydrophobicContact CD1-CG1 4.34Å; F758-I800 HydrophobicContact CD1-CG2 4.15Å; F758-I800 CarbonylContact O-C 3.5Å; F758-I800 WeakPolarHBondContact O-CA 3.41Å; K760-I800 HydrophobicContact CB-CG2 3.68Å; K760-I800 HydrophobicContact CD-CG2 4.13Å; T794-I800 HydrophobicContact CG2-CD1 4.27Å; F797-I800 HydrophobicContact CD2-CD1 4.38Å; F797-I800 HydrophobicContact CD2-CG1 4.08Å
801	V	96.8	Very high	94.3	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	137.8	-179.4	172.1	0	0	0	0	109.7	I757 F758 K760 I809 Q812 V813 I816	I757-V801 HydrophobicContact CG2-CB 4.26Å; I757-V801 HydrophobicContact CG2-CG2 3.56Å; F758-V801 PolarHBondContact O-N 3.04Å; K760-V801 PolarHBondContact N-O 2.93Å; V801-I809 HydrophobicContact CG1-CB 4.16Å; V801-I809 HydrophobicContact CG1-CG1 4.16Å; V801-I809 HydrophobicContact CG1-CG2 3.81Å; V801-Q812 HydrophobicContact CG1-CB 3.79Å; V801-Q812 HydrophobicContact CG2-CB 4.21Å; V801-V813 HydrophobicContact CG2-CG2 4.36Å; V801-I816 HydrophobicContact CG2-CD1 3.31Å
802	Q	94.8	Very high	94.7	Very high	83 Å²	83	41.2 Å²	41.2	39%	0.388	21%	0.211	S	C	.	.			trans	-144.9	138.2	175.3	180	161.1	93.9	0	0	109.8	K760 P761 K762 Q812	K760-Q802 WeakPolarHBondContact O-CG 3.48Å; K760-Q802 PolarHBondContact O-NE2 3.28Å; P761-Q802 PolarHBondContact O-NE2 3.31Å; K762-Q802 HydrophobicContact CD-CG 4.36Å; K762-Q802 HydrophobicContact CG-CG 3.64Å; Q802-Q812 PolarHBondContact O-NE2 3.31Å; Q802-Q812 PolarHBondContact O-OE1 2.91Å
803	G	92.6	Very high	94.9	Very high	5 Å²	5	37.2 Å²	37.2	5%	0.052	19%	0.192	C	C	.	.			trans	-157	172.7	-178.1	0	0	0	0	0	111.8	N766	N766-G803 PolarHBondContact ND2-O 2.94Å
804	D	89.9	Confident	95.1	Very high	93 Å²	93	39 Å²	39	50%	0.497	20%	0.2	S	C	.	.	S	Bend	trans	-94.4	-43.6	177.1	-63.2	-75.8	0	0	0	110.7	K762	K762-D804 WeakPolarHBondContact CE-OD1 3.4Å; K762-D804 IonicContact NZ-OD1 3.82Å; K762-D804 PolarHBondContact NZ-OD1 2.77Å; K762-D804 IonicContact NZ-OD2 2.78Å; K762-D804 PolarHBondContact NZ-OD2 2.85Å
805	T	92.4	Very high	95.2	Very high	59 Å²	59	43.9 Å²	43.9	36%	0.362	22%	0.222	S	C	.	.	S	Bend	trans	-98.5	163.6	172.4	74.3	0	0	0	0	112.1	E807 D808 I809	T805-E807 VanDerWaalsContact C-N 3.33Å; T805-E807 PolarHBondContact OG1-N 2.89Å; T805-D808 WeakPolarHBondContact CB-OD2 3.36Å; T805-D808 PolarHBondContact N-OD2 2.84Å; T805-D808 PolarHBondContact OG1-N 2.6Å; T805-D808 PolarHBondContact OG1-OD2 2.85Å; T805-I809 PolarHBondContact O-N 3.01Å
806	L	92.8	Very high	95.4	Very high	7 Å²	7	42.1 Å²	42.1	4%	0.037	21%	0.214	C	C	.	.	H	α-helix	trans	-71.7	-32.9	172.2	-178.1	60.6	0	0	0	111.2	M652 R655 I656 D808 I809 Y810	M652-L806 HydrophobicContact CB-CD1 3.61Å; M652-L806 HydrophobicContact CG-CD1 4.01Å; R655-L806 HydrophobicContact CG-CD2 4.23Å; R655-L806 VanDerWaalsContact CZ-CD2 3.47Å; I656-L806 HydrophobicContact CD1-CD1 3.79Å; I656-L806 HydrophobicContact CG1-CD1 4.02Å; L806-D808 VanDerWaalsContact C-N 3.34Å; L806-D808 PolarHBondContact O-N 3.5Å; L806-I809 PolarHBondContact O-N 3.25Å; L806-Y810 VanDerWaalsContact O-CB 3.31Å; L806-Y810 WeakPolarHBondContact O-CB 3.18Å; L806-Y810 PolarHBondContact O-N 2.93Å
807	E	94.4	Very high	95.6	Very high	107 Å²	107	41.1 Å²	41.1	50%	0.5	21%	0.209	S	C	.	.	H	α-helix	trans	-60.5	-41.1	175.8	-69	71.3	-163.9	0	0	111.4	T805 Y810 N811	T805-E807 VanDerWaalsContact C-N 3.33Å; T805-E807 PolarHBondContact OG1-N 2.89Å; E807-Y810 PolarHBondContact O-N 3Å; E807-N811 WeakPolarHBondContact O-CB 3.46Å; E807-N811 VanDerWaalsContact O-CG 3.3Å; E807-N811 PolarHBondContact O-N 2.81Å; E807-N811 PolarHBondContact O-ND2 3.44Å
808	D	94.8	Very high	95.6	Very high	70 Å²	70	47 Å²	47	37%	0.374	24%	0.237	S	C	.	.	H	α-helix	trans	-61.7	-45	174.4	-59.5	-47.9	0	0	0	111.8	T805 L806 Q812	T805-D808 WeakPolarHBondContact CB-OD2 3.36Å; T805-D808 PolarHBondContact N-OD2 2.84Å; T805-D808 PolarHBondContact OG1-N 2.6Å; T805-D808 PolarHBondContact OG1-OD2 2.85Å; L806-D808 VanDerWaalsContact C-N 3.34Å; L806-D808 PolarHBondContact O-N 3.5Å; D808-Q812 WeakPolarHBondContact O-CB 3.45Å; D808-Q812 WeakPolarHBondContact O-CG 3.35Å; D808-Q812 PolarHBondContact O-N 2.91Å; D808-Q812 PolarHBondContact O-NE2 3.46Å
809	I	96.7	Very high	95.4	Very high	2 Å²	2	50.6 Å²	50.6	1%	0.01	25%	0.252	C	S	.	.	H	α-helix	trans	-66.6	-42.7	180	-68.7	169.1	0	0	0	110.1	I656 I759 M770 V801 T805 L806 Q812 V813	I656-I809 HydrophobicContact CD1-CG2 3.75Å; I759-I809 HydrophobicContact CD1-CG2 4.04Å; I759-I809 HydrophobicContact CG1-CG2 4.03Å; I759-I809 HydrophobicContact CG2-CD1 4.1Å; I759-I809 HydrophobicContact CG2-CG2 3.98Å; M770-I809 HydrophobicContact CE-CD1 4.33Å; M770-I809 HydrophobicContact SD-CD1 3.41Å; M770-I809 WeakPolarHBondContact SD-CD1 3.26Å; V801-I809 HydrophobicContact CG1-CB 4.16Å; V801-I809 HydrophobicContact CG1-CG1 4.16Å; V801-I809 HydrophobicContact CG1-CG2 3.81Å; T805-I809 PolarHBondContact O-N 3.01Å; L806-I809 PolarHBondContact O-N 3.25Å; I809-Q812 PolarHBondContact O-N 3.43Å; I809-V813 HydrophobicContact CG2-CG2 4.47Å; I809-V813 WeakPolarHBondContact O-CB 3.41Å; I809-V813 VanDerWaalsContact O-CG2 3.23Å; I809-V813 WeakPolarHBondContact O-CG2 3.45Å; I809-V813 PolarHBondContact O-N 2.82Å
810	Y	97.5	Very high	95.3	Very high	21 Å²	21	52.4 Å²	52.4	8%	0.082	26%	0.259	C	S	.	.	H	α-helix	trans	-63.4	-42.6	178.2	-176.1	-118.7	0	0	0	112	I656 D659 L660 E663 L806 E807 V813 K814	I656-Y810 HydrophobicContact CB-CD2 4.43Å; I656-Y810 HydrophobicContact CG1-CD2 4.17Å; I656-Y810 HydrophobicContact CG2-CD2 4.03Å; I656-Y810 HydrophobicContact CG2-CE2 4.41Å; D659-Y810 VanDerWaalsContact C-OH 3.31Å; D659-Y810 HydrophobicContact CB-CD2 4.43Å; D659-Y810 HydrophobicContact CB-CE2 3.67Å; D659-Y810 PolarHBondContact O-OH 3.01Å; L660-Y810 HydrophobicContact CD2-CE2 3.96Å; L660-Y810 HydrophobicContact CG-CE2 3.95Å; E663-Y810 VanDerWaalsContact OE2-CE1 3.24Å; E663-Y810 WeakPolarHBondContact OE2-CE1 3.47Å; E663-Y810 PolarHBondContact OE2-OH 3.09Å; L806-Y810 VanDerWaalsContact O-CB 3.31Å; L806-Y810 WeakPolarHBondContact O-CB 3.18Å; L806-Y810 PolarHBondContact O-N 2.93Å; E807-Y810 PolarHBondContact O-N 3Å; Y810-V813 PolarHBondContact O-N 3.19Å; Y810-K814 HydrophobicContact CD1-CD 4.43Å; Y810-K814 HydrophobicContact CE1-CD 3.84Å; Y810-K814 HydrophobicContact CE2-CD 4.48Å; Y810-K814 WeakPolarHBondContact O-CG 3.49Å; Y810-K814 PolarHBondContact O-N 3.01Å
811	N	97.3	Very high	95.1	Very high	88 Å²	88	52.6 Å²	52.6	47%	0.471	26%	0.264	S	S	.	.	H	α-helix	trans	-68.3	-41.3	176.6	-70.6	-40	0	0	0	112.2	E807 V813 K814 Q815	E807-N811 WeakPolarHBondContact O-CB 3.46Å; E807-N811 VanDerWaalsContact O-CG 3.3Å; E807-N811 PolarHBondContact O-N 2.81Å; E807-N811 PolarHBondContact O-ND2 3.44Å; N811-V813 PolarHBondContact O-N 2.81Å; N811-K814 PolarHBondContact O-N 2.73Å; N811-Q815 PolarHBondContact O-N 3.38Å
812	Q	97.2	Very high	94.8	Very high	66 Å²	66	54.5 Å²	54.5	31%	0.308	28%	0.283	S	S	.	.	H	α-helix	trans	-59.7	-44.2	171.5	-76.5	176.2	67.7	0	0	111.9	V801 Q802 D808 I809 Q815 I816	V801-Q812 HydrophobicContact CG1-CB 3.79Å; V801-Q812 HydrophobicContact CG2-CB 4.21Å; Q802-Q812 PolarHBondContact O-NE2 3.31Å; Q802-Q812 PolarHBondContact O-OE1 2.91Å; D808-Q812 WeakPolarHBondContact O-CB 3.45Å; D808-Q812 WeakPolarHBondContact O-CG 3.35Å; D808-Q812 PolarHBondContact O-N 2.91Å; D808-Q812 PolarHBondContact O-NE2 3.46Å; I809-Q812 PolarHBondContact O-N 3.43Å; Q812-Q815 PolarHBondContact O-N 3.15Å; Q812-I816 WeakPolarHBondContact O-CB 3.28Å; Q812-I816 WeakPolarHBondContact O-CD1 3.27Å; Q812-I816 VanDerWaalsContact O-CG1 3.28Å; Q812-I816 WeakPolarHBondContact O-CG1 3.46Å; Q812-I816 PolarHBondContact O-N 2.98Å
813	V	98.1	Very high	94.6	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-59.1	-46.8	175.2	164.6	0	0	0	0	111.2	I648 I656 L660 I757 V801 I809 Y810 N811 I816 I817	I648-V813 HydrophobicContact CD1-CG1 3.77Å; I656-V813 HydrophobicContact CG2-CG1 3.94Å; L660-V813 HydrophobicContact CD1-CG1 4.15Å; I757-V813 HydrophobicContact CD1-CG1 4.19Å; I757-V813 HydrophobicContact CG2-CG2 4.18Å; V801-V813 HydrophobicContact CG2-CG2 4.36Å; I809-V813 HydrophobicContact CG2-CG2 4.47Å; I809-V813 WeakPolarHBondContact O-CB 3.41Å; I809-V813 VanDerWaalsContact O-CG2 3.23Å; I809-V813 WeakPolarHBondContact O-CG2 3.45Å; I809-V813 PolarHBondContact O-N 2.82Å; Y810-V813 PolarHBondContact O-N 3.19Å; N811-V813 PolarHBondContact O-N 2.81Å; V813-I816 PolarHBondContact O-N 3.27Å; V813-I817 HydrophobicContact CG1-CD1 3.74Å; V813-I817 VanDerWaalsContact O-CG1 3.26Å; V813-I817 WeakPolarHBondContact O-CG1 3.45Å; V813-I817 PolarHBondContact O-N 2.73Å
814	K	97.4	Very high	94.7	Very high	42 Å²	42	59.2 Å²	59.2	18%	0.183	31%	0.306	C	S	.	.	H	α-helix	trans	-60.2	-46.4	177.4	-75.2	-165.7	-69.9	-169.1	0	111.9	L660 E663 F664 Y810 N811 I817 E818	L660-K814 HydrophobicContact CD2-CD 4.26Å; L660-K814 HydrophobicContact CD2-CG 3.72Å; E663-K814 VanDerWaalsContact CD-NZ 3.32Å; E663-K814 IonicContact OE1-NZ 2.66Å; E663-K814 PolarHBondContact OE1-NZ 3.49Å; E663-K814 IonicContact OE2-NZ 2.76Å; E663-K814 PolarHBondContact OE2-NZ 2.73Å; F664-K814 HydrophobicContact CD2-CD 4.47Å; F664-K814 HydrophobicContact CE2-CD 3.6Å; F664-K814 HydrophobicContact CZ-CD 4.31Å; Y810-K814 HydrophobicContact CD1-CD 4.43Å; Y810-K814 HydrophobicContact CE1-CD 3.84Å; Y810-K814 HydrophobicContact CE2-CD 4.48Å; Y810-K814 WeakPolarHBondContact O-CG 3.49Å; Y810-K814 PolarHBondContact O-N 3.01Å; N811-K814 PolarHBondContact O-N 2.73Å; K814-I817 PolarHBondContact O-N 3.21Å; K814-E818 PolarHBondContact O-N 2.93Å
815	Q	96.1	Very high	94.9	Very high	114 Å²	114	55 Å²	55	53%	0.533	28%	0.283	S	S	.	.	H	α-helix	trans	-59.8	-51	177	178.3	176.8	-9.5	0	0	111.8	N811 Q812 I817 E818 E819	N811-Q815 PolarHBondContact O-N 3.38Å; Q812-Q815 PolarHBondContact O-N 3.15Å; Q815-I817 VanDerWaalsContact C-N 3.29Å; Q815-I817 PolarHBondContact O-N 3.18Å; Q815-E818 PolarHBondContact O-N 2.99Å; Q815-E818 VanDerWaalsContact O-N 3.14Å; Q815-E819 HydrophobicContact CG-CG 4.31Å; Q815-E819 VanDerWaalsContact CG-OE1 3.24Å; Q815-E819 WeakPolarHBondContact CG-OE1 3.49Å; Q815-E819 PolarHBondContact NE2-OE1 2.87Å; Q815-E819 WeakPolarHBondContact O-CG 3.46Å; Q815-E819 PolarHBondContact O-N 3.2Å
816	I	96.5	Very high	94.9	Very high	26 Å²	26	54.3 Å²	54.3	13%	0.133	28%	0.275	C	S	.	.	H	α-helix	trans	-61.3	-37.6	-179.8	-70.8	160.6	0	0	0	111.5	I755 I757 A799 V801 Q812 V813 Q820	I755-I816 HydrophobicContact CG2-CG2 4.47Å; I757-I816 HydrophobicContact CD1-CB 4.17Å; I757-I816 HydrophobicContact CD1-CG2 3.71Å; I757-I816 HydrophobicContact CG1-CG2 4.03Å; A799-I816 HydrophobicContact CB-CD1 3.87Å; A799-I816 HydrophobicContact CB-CG1 4.39Å; A799-I816 HydrophobicContact CB-CG2 3.8Å; V801-I816 HydrophobicContact CG2-CD1 3.31Å; Q812-I816 WeakPolarHBondContact O-CB 3.28Å; Q812-I816 WeakPolarHBondContact O-CD1 3.27Å; Q812-I816 VanDerWaalsContact O-CG1 3.28Å; Q812-I816 WeakPolarHBondContact O-CG1 3.46Å; Q812-I816 PolarHBondContact O-N 2.98Å; V813-I816 PolarHBondContact O-N 3.27Å; I816-Q820 HydrophobicContact CG2-CG 4.44Å; I816-Q820 WeakPolarHBondContact O-CB 3.47Å; I816-Q820 WeakPolarHBondContact O-CG 3.43Å; I816-Q820 PolarHBondContact O-N 2.95Å
817	I	97.4	Very high	94.9	Very high	4 Å²	4	54.4 Å²	54.4	2%	0.021	28%	0.275	C	S	.	.	H	α-helix	trans	-62.8	-52.2	174.6	-68.5	164.6	0	0	0	109.6	V646 L660 F668 I755 I757 V813 K814 Q815 E819 Q820 S821	V646-I817 HydrophobicContact CG1-CD1 3.96Å; V646-I817 HydrophobicContact CG1-CG1 4.23Å; V646-I817 HydrophobicContact CG2-CD1 4.37Å; V646-I817 HydrophobicContact CG2-CG1 4.32Å; V646-I817 HydrophobicContact CG2-CG2 4.41Å; L660-I817 HydrophobicContact CD1-CD1 3.85Å; L660-I817 HydrophobicContact CD2-CD1 4.39Å; F668-I817 HydrophobicContact CE1-CD1 4.07Å; F668-I817 HydrophobicContact CE1-CG2 4Å; F668-I817 HydrophobicContact CZ-CD1 4.25Å; F668-I817 HydrophobicContact CZ-CG2 4.04Å; I755-I817 HydrophobicContact CD1-CG2 4.23Å; I757-I817 HydrophobicContact CD1-CD1 4.44Å; I757-I817 HydrophobicContact CD1-CG1 3.88Å; V813-I817 HydrophobicContact CG1-CD1 3.74Å; V813-I817 VanDerWaalsContact O-CG1 3.26Å; V813-I817 WeakPolarHBondContact O-CG1 3.45Å; V813-I817 PolarHBondContact O-N 2.73Å; K814-I817 PolarHBondContact O-N 3.21Å; Q815-I817 VanDerWaalsContact C-N 3.29Å; Q815-I817 PolarHBondContact O-N 3.18Å; I817-E819 PolarHBondContact O-N 2.89Å; I817-Q820 CarbonylContact O-C 3.52Å; I817-Q820 WeakPolarHBondContact O-CA 3.18Å; I817-Q820 PolarHBondContact O-N 2.87Å; I817-S821 PolarHBondContact O-N 2.81Å; I817-S821 PolarHBondContact O-OG 2.85Å
818	E	95	Very high	94.8	Very high	123 Å²	123	51.6 Å²	51.6	58%	0.575	27%	0.266	S	S	*	.	H	α-helix	trans	-62.9	-41.2	-175.6	-169	133.1	-114.7	0	0	112.8	K667 K814 Q815 Q820 S821	K667-E818 IonicContact NZ-OE1 3.9Å; K667-E818 PolarHBondContact NZ-OE1 2.71Å; K667-E818 IonicContact NZ-OE2 3.67Å; K814-E818 PolarHBondContact O-N 2.93Å; Q815-E818 PolarHBondContact O-N 2.99Å; Q815-E818 VanDerWaalsContact O-N 3.14Å; E818-Q820 PolarHBondContact O-N 3.23Å; E818-S821 PolarHBondContact O-N 3.38Å
819	E	92.6	Very high	94.5	Very high	96 Å²	96	49.2 Å²	49.2	45%	0.449	26%	0.257	S	S	.	.	H	α-helix	trans	-61.7	-30.4	171.4	-71.8	172.4	179.2	0	0	112.9	Q815 I817	Q815-E819 HydrophobicContact CG-CG 4.31Å; Q815-E819 VanDerWaalsContact CG-OE1 3.24Å; Q815-E819 WeakPolarHBondContact CG-OE1 3.49Å; Q815-E819 PolarHBondContact NE2-OE1 2.87Å; Q815-E819 WeakPolarHBondContact O-CG 3.46Å; Q815-E819 PolarHBondContact O-N 3.2Å; I817-E819 PolarHBondContact O-N 2.89Å
820	Q	94.2	Very high	93.5	Very high	51 Å²	51	59.4 Å²	59.4	24%	0.238	30%	0.301	C	S	.	.	H	α-helix	trans	-96.3	-2.7	-178.2	-67.8	-71.9	-43.1	0	0	113.7	R644 I755 T798 I816 I817 E818 G822	R644-Q820 WeakPolarHBondContact CD-O 3.45Å; R644-Q820 PolarHBondContact NH1-O 2.86Å; I755-Q820 HydrophobicContact CD1-CB 3.7Å; I755-Q820 HydrophobicContact CG1-CB 3.86Å; I755-Q820 HydrophobicContact CG2-CB 4.11Å; I755-Q820 HydrophobicContact CG2-CG 4.38Å; T798-Q820 HydrophobicContact CG2-CG 4.02Å; I816-Q820 HydrophobicContact CG2-CG 4.44Å; I816-Q820 WeakPolarHBondContact O-CB 3.47Å; I816-Q820 WeakPolarHBondContact O-CG 3.43Å; I816-Q820 PolarHBondContact O-N 2.95Å; I817-Q820 CarbonylContact O-C 3.52Å; I817-Q820 WeakPolarHBondContact O-CA 3.18Å; I817-Q820 PolarHBondContact O-N 2.87Å; E818-Q820 PolarHBondContact O-N 3.23Å; Q820-G822 VanDerWaalsContact C-N 3.29Å; Q820-G822 PolarHBondContact O-N 2.82Å
821	S	93.2	Very high	92.3	Very high	47 Å²	47	64.3 Å²	64.3	33%	0.329	32%	0.324	S	S	.	.			trans	-76	-7.3	-179.3	-66	0	0	0	0	114.8	H734 I817 E818	H734-S821 PolarHBondContact CE1-OG 2.95Å; H734-S821 PolarHBondContact NE2-OG 2.81Å; I817-S821 PolarHBondContact O-N 2.81Å; I817-S821 PolarHBondContact O-OG 2.85Å; E818-S821 PolarHBondContact O-N 3.38Å
822	G	90.7	Very high	91	Very high	40 Å²	40	69.9 Å²	69.9	41%	0.412	34%	0.344	S	S	.	.	S	Bend	trans	-62.1	154	-177.5	0	0	0	0	0	114.4	Q820 Y824	Q820-G822 VanDerWaalsContact C-N 3.29Å; Q820-G822 PolarHBondContact O-N 2.82Å; G822-Y824 VanDerWaalsContact C-N 3.25Å; G822-Y824 PolarHBondContact O-N 2.83Å
823	S	90.6	Very high	89.5	Confident	60 Å²	60	70.2 Å²	70.2	42%	0.42	35%	0.348	S	S	.	.	S	Bend	trans	-68.4	-22.2	177.2	57.4	0	0	0	0	113.6	E639 V640	E639-S823 CarbonylContact C-O 3.6Å; E639-S823 WeakPolarHBondContact CA-O 3.41Å; V640-S823 WeakPolarHBondContact CG2-O 3.23Å; V640-S823 PolarHBondContact N-O 2.79Å
824	Y	93.2	Very high	89	Confident	128 Å²	128	73.8 Å²	73.8	50%	0.502	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	113.5	173.4	-64.7	-77.1	0	0	0	109.9	E639 G822	E639-Y824 HydrophobicContact CB-CD1 3.95Å; E639-Y824 HydrophobicContact CB-CE1 3.72Å; E639-Y824 HydrophobicContact CG-CD1 4.12Å; E639-Y824 HydrophobicContact CG-CE1 3.69Å; E639-Y824 PolarHBondContact OE2-OH 2.85Å; G822-Y824 VanDerWaalsContact C-N 3.25Å; G822-Y824 PolarHBondContact O-N 2.83Å
825	I	94.3	Very high	88.6	Confident	3 Å²	3	75.4 Å²	75.4	2%	0.015	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	153.8	-175.4	62.3	162	0	0	0	111.3	Q637 Q638 V640 R644 Y753 V827	Q637-I825 CarbonylContact C-O 3.12Å; Q637-I825 WeakPolarHBondContact CA-O 3.16Å; Q638-I825 HydrophobicContact CB-CG1 4.46Å; Q638-I825 PolarHBondContact N-O 2.67Å; Q638-I825 WeakPolarHBondContact O-CG1 3.4Å; Q638-I825 PolarHBondContact O-N 3.22Å; V640-I825 HydrophobicContact CG1-CD1 3.56Å; V640-I825 HydrophobicContact CG1-CG1 3.92Å; V640-I825 HydrophobicContact CG2-CD1 4.13Å; V640-I825 HydrophobicContact CG2-CG1 4.09Å; V640-I825 HydrophobicContact CG2-CG2 3.79Å; R644-I825 HydrophobicContact CG-CG2 4.47Å; Y753-I825 HydrophobicContact CD2-CD1 4.04Å; Y753-I825 HydrophobicContact CG-CD1 4.02Å; I825-V827 HydrophobicContact CD1-CG1 3.54Å; I825-V827 HydrophobicContact CG1-CG1 3.93Å
826	W	93.7	Very high	88.2	Confident	46 Å²	46	73.3 Å²	73.3	17%	0.174	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	120.9	172.5	-64.9	97.1	0	0	0	109.9	Y502 I529 V546 V635 Q637	Y502-W826 AromaticContact CD1-CH2 3.47Å; Y502-W826 HydrophobicContact CD1-CH2 3.47Å; Y502-W826 VanDerWaalsContact CD1-CH2 3.47Å; Y502-W826 HydrophobicContact CD1-CZ2 4.38Å; Y502-W826 AromaticContact CD1-CZ3 3.8Å; Y502-W826 HydrophobicContact CD1-CZ3 3.8Å; Y502-W826 HydrophobicContact CD2-CH2 4.08Å; Y502-W826 AromaticContact CD2-CZ3 3.88Å; Y502-W826 HydrophobicContact CD2-CZ3 3.88Å; Y502-W826 AromaticContact CE1-CH2 3.8Å; Y502-W826 HydrophobicContact CE1-CH2 3.8Å; Y502-W826 HydrophobicContact CE1-CZ3 4.48Å; Y502-W826 HydrophobicContact CE2-CH2 4.38Å; Y502-W826 AromaticContact CG-CH2 3.62Å; Y502-W826 HydrophobicContact CG-CH2 3.62Å; Y502-W826 AromaticContact CG-CZ3 3.45Å; Y502-W826 HydrophobicContact CG-CZ3 3.45Å; Y502-W826 VanDerWaalsContact CG-CZ3 3.45Å; I529-W826 HydrophobicContact CD1-CB 3.99Å; I529-W826 HydrophobicContact CD1-CG 3.98Å; I529-W826 HydrophobicContact CG1-CB 4.44Å; I529-W826 HydrophobicContact CG1-CD2 4.34Å; I529-W826 HydrophobicContact CG1-CG 3.91Å; I529-W826 HydrophobicContact CG2-CD2 3.9Å; I529-W826 HydrophobicContact CG2-CE3 4.19Å; I529-W826 HydrophobicContact CG2-CG 4.36Å; I529-W826 HydrophobicContact CG2-CH2 4.39Å; I529-W826 HydrophobicContact CG2-CZ2 4.12Å; I529-W826 HydrophobicContact CG2-CZ3 4.42Å; V546-W826 HydrophobicContact CG1-CZ2 4.06Å; V635-W826 HydrophobicContact CB-CB 4.41Å; V635-W826 HydrophobicContact CB-CE3 4.21Å; V635-W826 HydrophobicContact CG2-CB 4.47Å; V635-W826 HydrophobicContact CG2-CD2 4.4Å; V635-W826 HydrophobicContact CG2-CE3 3.7Å; V635-W826 HydrophobicContact CG2-CZ3 4.37Å; Q637-W826 HydrophobicContact CB-CD2 4.39Å; Q637-W826 HydrophobicContact CB-CE3 4.03Å; Q637-W826 HydrophobicContact CB-CH2 3.86Å; Q637-W826 HydrophobicContact CB-CZ2 4.2Å; Q637-W826 HydrophobicContact CB-CZ3 3.76Å; Q637-W826 HydrophobicContact CG-CD2 4.42Å; Q637-W826 HydrophobicContact CG-CH2 4.28Å; Q637-W826 HydrophobicContact CG-CZ2 4.12Å; Q637-W826 HydrophobicContact CG-CZ3 4.5Å
827	V	93.1	Very high	87.7	Confident	9 Å²	9	76.1 Å²	76.1	6%	0.055	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	146.5	-178.6	-61.4	0	0	0	0	111.2	V635 N636 Q638 Y753 I825 A829	V635-V827 CarbonylContact C-O 3.58Å; V635-V827 VanDerWaalsContact CA-O 3.25Å; V635-V827 WeakPolarHBondContact CA-O 3.5Å; V635-V827 WeakPolarHBondContact CB-O 3.35Å; N636-V827 PolarHBondContact N-O 3.11Å; N636-V827 PolarHBondContact O-N 2.89Å; Q638-V827 HydrophobicContact CB-CG1 4.48Å; Q638-V827 HydrophobicContact CB-CG2 4.04Å; Y753-V827 HydrophobicContact CD1-CB 4.16Å; Y753-V827 HydrophobicContact CD1-CG1 3.6Å; Y753-V827 HydrophobicContact CD2-CG1 3.89Å; Y753-V827 HydrophobicContact CE1-CB 3.82Å; Y753-V827 HydrophobicContact CE1-CG1 3.67Å; Y753-V827 HydrophobicContact CE2-CG1 3.97Å; Y753-V827 HydrophobicContact CG-CG1 3.71Å; I825-V827 HydrophobicContact CD1-CG1 3.54Å; I825-V827 HydrophobicContact CG1-CG1 3.93Å; V827-A829 PolarHBondContact O-N 2.89Å
828	P	90.8	Very high	87.1	Confident	47 Å²	47	80.6 Å²	80.6	31%	0.305	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	128.6	177.8	-25.4	34.4	0	0	0	112.2	E633	E633-P828 HydrophobicContact CG-CB 4.4Å; E633-P828 WeakPolarHBondContact OE1-CG 3.48Å
829	A	88.4	Confident	86.6	Confident	21 Å²	21	77.7 Å²	77.7	17%	0.174	39%	0.391	C	S	.	.			trans	-76.5	155.9	179	0	0	0	0	0	111.8	P634 V827	P634-A829 HydrophobicContact CB-CB 4.02Å; P634-A829 HydrophobicContact CG-CB 4.27Å; P634-A829 WeakPolarHBondContact O-CB 3.42Å; P634-A829 PolarHBondContact O-N 3.13Å; V827-A829 PolarHBondContact O-N 2.89Å
830	K	77.1	Confident	86.1	Confident	216 Å²	216	76.4 Å²	76.4	94%	0.939	39%	0.387	S	S	*	.	S	Bend	trans	-83.9	-18.4	176.3	-63.9	-179.9	-177.4	173.8	0	113.4
831	E	72.1	Confident	85.5	Confident	123 Å²	123	78.4 Å²	78.4	58%	0.575	40%	0.398	S	S	*	.	S	Bend	trans	-76.6	149.4	171.7	-59.9	-165.7	160.4	0	0	109.8	R499 P634	R499-E831 IonicContact CZ-OE1 2.88Å; R499-E831 IonicContact NH1-OE1 2.88Å; R499-E831 PolarHBondContact NH1-OE1 2.71Å; R499-E831 IonicContact NH1-OE2 3.18Å; R499-E831 PolarHBondContact NH1-OE2 3.43Å; P634-E831 WeakPolarHBondContact CG-O 3.4Å
832	K	70	Confident	84.9	Confident	205 Å²	205	81 Å²	81	89%	0.891	40%	0.404	S	S	*	.			trans	-100.2	138.1	176.1	-70.9	-171.1	175	-172.3	0	110.8
833	L	64.8	Low	84.4	Confident	74 Å²	74	84.7 Å²	84.7	39%	0.387	40%	0.403	S	S	.	.			trans	-65.6	0	162.1	-75.6	170.3	0	0	0	112.1	L501 V503 W541 K561 Y632 P634	L501-L833 HydrophobicContact CD1-CD2 3.58Å; L501-L833 HydrophobicContact CD2-CD2 4.2Å; V503-L833 HydrophobicContact CG1-CD1 3.77Å; V503-L833 HydrophobicContact CG1-CD2 4.01Å; V503-L833 HydrophobicContact CG1-CG 4.45Å; W541-L833 HydrophobicContact CH2-CD2 4.3Å; K561-L833 HydrophobicContact CD-CB 3.73Å; K561-L833 HydrophobicContact CD-CD1 4.43Å; K561-L833 PolarHBondContact NZ-O 3.23Å; Y632-L833 WeakPolarHBondContact O-CD1 3.39Å; P634-L833 HydrophobicContact CB-CD1 4.29Å; P634-L833 HydrophobicContact CB-CG 3.92Å; P634-L833 HydrophobicContact CG-CD1 4.37Å; P634-L833 HydrophobicContact CG-CG 4.02Å

Retrieved 833 of 833 residues in 590.9 ms (Link to these results)

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