A0A087X8C5_POEFO Loading...

Lon protease homolog, mitochondrial

ATP-dependent serine protease that mediates the selective degradation of misfolded, unassembled or oxidatively damaged polypeptides as well as certain short-lived regulatory proteins in the mitochondrial matrix. May also have a chaperone function in the assembly of inner membrane protein complexes. Participates in the regulation of mitochondrial gene expression and in the maintenance of the integrity of the mitochondrial genome. Binds to mitochondrial DNA in a site-specific manner.

AlphaFold DB , UniProt , Accession A0A087X8C5, Species POEFO (Poecilia formosa, Amazon molly), Gene LONP1, Length 985 aa.

						>A0A087X8C5_POEFO|A0A087X8C5|LONP1
MGPCLKMAGALQRIHRTQLFRREAIPYLTEATGQLRLQPSPRYNTLSSIGSTPVTEGCRLTRHYRWVRVAGLPLAHTATSRSPCGLSVPARLLSFWASGAGFSGEDGGENAASGGDESGGNGDAPYSGPQMTALTPMMVPEVFPNVPLIAVSRNPVFPRFIKIIEVKNKGLMELLRRKVRLAQPYAGVFMKKDDNNESDVVESLDSIYSTGTFVQIHEMQDLGDKLRMIVMGHRRIRITRQLEVEAEDVLASPHWSASEPEPQIKATARRKSKRSRKDQPTSLAEQLENKVSEADLSPELQPLPYSNILMVEVDNVQHEQFTVTEEVKALTAEIVKTIRDIIALNPLYRESVLQMMQAGQRVVDNPIYLSDMGAALTGAESQELQDVLEETNIPKRLYKALSLLKKEYELSKLQQRLGREVEEKIKQTHRKYLLQEQLKIIKKELGLEKDDKEAIEDKFRERLKDRNVPQHIMDVINEELNKLGLLDNHSSEFNVTRNYLDWLTSMPWGTNSEENLSLYRAREVLEEDHYGMDDVKKRILEFIAVSQLRGSTQGKILCFYGPPGVGKTSIARSIARALNRQYFRFSVGGMTDVAEIKGHRRTYVGAMPGKMIQCLKKTKTENPLVLIDEVDKIGRGYQGDPSSALLELLDPEQNSNFLDHYLDVPVDLSKVLFICTANVTDTIPEPLRDRMEMINVSGYVAQEKLAIAERYLVPQLRTLCGLTEEKASISPDALGLLIRQYCRESGVRNLQKQIEKVFRKVAFHIVSGAKDSVAVSSDNLHDYVGKPVFTVDRMYDVTPPGVVMGLAWTALGGSTLFIETSLCRPQGGAEAKGEGTLEVTGQLGDVMKESAKIASTFARAFLMTKEPENNFLVSSHLHLHVPEGATPKDGPSAGCTIVTALLSLATNRSVRQNVAMTGEVSLTGKILPVGGIKEKTIAARRAGVTCMIIPAENRKDFSDLPDYIREGLEVYFVDHYSQIYPIVFP
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	28.4	Very low	32.2	Very low	253 Å²	253	136.2 Å²	136.2	100%	1.246	84%	0.836	S	S	*	*				0	145.8	0	-61.1	178.2	-177.4	0	0	107.8
2	G	31.6	Very low	31.8	Very low	70 Å²	70	136.8 Å²	136.8	72%	0.722	82%	0.822	S	S	*	*			trans	-100.2	-147.7	-178	0	0	0	0	0	113.1
3	P	63.8	Low	31.2	Very low	132 Å²	132	142.8 Å²	142.8	86%	0.857	82%	0.821	S	S	*	*			cis	-115.8	-133.4	11.5	39.1	-23.9	0	0	0	115
4	C	31.3	Very low	30.8	Very low	107 Å²	107	144.4 Å²	144.4	72%	0.723	82%	0.823	S	S	*	*				-153.4	162.5	-129.5	-78.1	0	0	0	0	119.1
5	L	31.3	Very low	30.4	Very low	153 Å²	153	144.7 Å²	144.7	80%	0.801	81%	0.814	S	S	*	*			trans	64.3	96.3	146.6	-90.3	73.6	0	0	0	123
6	K	29.7	Very low	30.2	Very low	181 Å²	181	149.1 Å²	149.1	79%	0.787	81%	0.814	S	S	*	*				39.4	123.8	114.7	-66.2	-177.3	176	-179.1	0	123.4
7	M	28.5	Very low	30	Very low	181 Å²	181	146.2 Å²	146.2	89%	0.892	80%	0.802	S	S	*	*				54.5	154.3	122.1	-62.4	173.3	168.7	0	0	121.5
8	A	28.7	Very low	29.9	Very low	103 Å²	103	146.7 Å²	146.7	85%	0.851	80%	0.798	S	S	*	*			cis	-176.8	179.3	-17.5	0	0	0	0	0	106.5
9	G	27.2	Very low	29.8	Very low	68 Å²	68	146.3 Å²	146.3	70%	0.701	79%	0.794	S	S	*	*			cis	170.4	131.1	-3.4	0	0	0	0	0	106.8
10	A	27	Very low	29.7	Very low	100 Å²	100	147.5 Å²	147.5	83%	0.826	79%	0.792	S	S	*	*				62	134.7	73	0	0	0	0	0	115.5
11	L	26.2	Very low	29.4	Very low	150 Å²	150	151.1 Å²	151.1	79%	0.785	79%	0.794	S	S	*	*			cis	-166	156.5	-12	-119.8	170.9	0	0	0	111.6
12	Q	27.4	Very low	29.3	Very low	144 Å²	144	149.5 Å²	149.5	67%	0.673	77%	0.774	S	S	*	*			trans	17.8	138.3	159.6	-79.5	-177.9	19.2	0	0	125.9
13	R	25.1	Very low	29	Very low	215 Å²	215	153.9 Å²	153.9	81%	0.811	78%	0.776	S	S	*	*			trans	60.8	123.3	136.7	-67.6	175.5	164.3	-177.8	-3.8	121.7
14	I	24.9	Very low	27.1	Very low	165 Å²	165	151.6 Å²	151.6	85%	0.846	77%	0.768	S	S	*	*				175	148.4	113.4	-91.7	163.9	0	0	0	114
15	H	24.7	Very low	27	Very low	149 Å²	149	154.5 Å²	154.5	69%	0.69	78%	0.775	S	S	*	*			trans	-9.5	147.5	170.3	-78.6	-55.3	0	0	0	126.2
16	R	26.8	Very low	27.7	Very low	214 Å²	214	151.8 Å²	151.8	81%	0.808	77%	0.767	S	S	*	*			trans	74	157.7	133.6	-76.6	175.3	174.3	175.6	-1.2	118.2
17	T	27.2	Very low	27.6	Very low	100 Å²	100	153.1 Å²	153.1	61%	0.613	77%	0.768	S	S	*	*			cis	-153.9	157.7	6.2	-9.1	0	0	0	0	113.5
18	Q	28.4	Very low	27.4	Very low	155 Å²	155	151.7 Å²	151.7	72%	0.724	76%	0.763	S	S	*	*			trans	67.8	156.6	145.1	-79.9	160.6	-6.3	0	0	119.9
19	L	27.8	Very low	27.2	Very low	140 Å²	140	152.4 Å²	152.4	73%	0.733	76%	0.757	S	S	*	*			cis	-134.5	143.9	4.1	-105.6	123.7	0	0	0	112.2
20	F	27.1	Very low	27.1	Very low	169 Å²	169	157.8 Å²	157.8	74%	0.741	76%	0.764	S	S	*	*			trans	29.5	150	134.9	-74	-101.7	0	0	0	122.2
21	R	24	Very low	27.1	Very low	225 Å²	225	157.9 Å²	157.9	85%	0.849	77%	0.765	S	S	*	*			cis	-141.8	166	36.4	-151.2	175.6	-174.3	161.4	2.7	114.2
22	R	26.4	Very low	27.1	Very low	219 Å²	219	157.6 Å²	157.6	83%	0.826	77%	0.77	S	S	*	*			trans	-117.8	155.9	177	-77.1	175.7	162.7	-177.7	-5.9	110.6
23	E	24.9	Very low	27.1	Very low	161 Å²	161	154.8 Å²	154.8	75%	0.752	78%	0.779	S	S	*	*			trans	-168.9	135.6	138.9	-97.8	138.4	-138.7	0	0	105.6
24	A	25.1	Very low	27.1	Very low	85 Å²	85	153 Å²	153	70%	0.702	78%	0.78	S	S	*	*			cis	69.8	122.8	40.4	0	0	0	0	0	111.2
25	I	27.3	Very low	27.1	Very low	167 Å²	167	151.8 Å²	151.8	86%	0.856	77%	0.774	S	S	*	*			cis	-157.6	173.8	38.5	-118.4	149.4	0	0	0	110.7
26	P	47.9	Very low	27.1	Very low	97 Å²	97	155.2 Å²	155.2	63%	0.63	78%	0.781	S	S	*	*			trans	-119.6	-166.1	-162.5	34.4	-16.8	0	0	0	116.6
27	Y	26.4	Very low	27	Very low	209 Å²	209	153.2 Å²	153.2	82%	0.82	79%	0.785	S	S	*	*			trans	107.7	144.6	155.3	-81.8	-73.4	0	0	0	122.1
28	L	24.5	Very low	26.9	Very low	151 Å²	151	156.8 Å²	156.8	79%	0.791	80%	0.795	S	S	*	*			trans	70	151.6	158.1	-63.2	151.7	0	0	0	116.9
29	T	25.5	Very low	27.2	Very low	117 Å²	117	155.1 Å²	155.1	72%	0.718	80%	0.798	S	S	*	*			cis	-143.4	173.7	8.3	-24.6	0	0	0	0	112.1
30	E	24.8	Very low	27.1	Very low	181 Å²	181	153.5 Å²	153.5	85%	0.846	80%	0.798	S	S	*	*			trans	-66.5	157.2	174.9	-52.2	150.9	126.9	0	0	113.8
31	A	26	Very low	27.6	Very low	102 Å²	102	150.3 Å²	150.3	84%	0.843	79%	0.794	S	S	*	*			trans	-166.7	127.2	136.2	0	0	0	0	0	113.2
32	T	26.7	Very low	27.7	Very low	145 Å²	145	149.2 Å²	149.2	89%	0.89	79%	0.79	S	S	*	*			trans	-50.1	149.6	171.9	50.8	0	0	0	0	117.1
33	G	26.6	Very low	27.6	Very low	84 Å²	84	146.9 Å²	146.9	87%	0.866	78%	0.783	S	S	*	*			trans	-172.4	114	161.6	0	0	0	0	0	112.8
34	Q	26.4	Very low	27.6	Very low	179 Å²	179	145.8 Å²	145.8	84%	0.836	78%	0.782	S	S	*	*			trans	-128.1	161.4	-171	-141.9	-175.3	39.1	0	0	111.9
35	L	24.6	Very low	27.6	Very low	138 Å²	138	147.9 Å²	147.9	72%	0.723	79%	0.786	S	S	*	*			trans	74.4	123.5	172.2	-56.9	160.6	0	0	0	114.5
36	R	25.5	Very low	27.4	Very low	221 Å²	221	147.5 Å²	147.5	83%	0.834	79%	0.785	S	S	*	*			cis	88.1	107.2	46.4	-174.8	-161.4	-143.3	-176.3	8.9	111.9
37	L	24.3	Very low	26.3	Very low	172 Å²	172	147.7 Å²	147.7	90%	0.901	79%	0.789	S	S	*	*			trans	-177.7	141.7	135.4	-98.7	161.7	0	0	0	112.8
38	Q	25.5	Very low	26.2	Very low	176 Å²	176	142.2 Å²	142.2	82%	0.822	78%	0.781	S	S	*	*			trans	-94.5	165.7	157.2	-106.8	-175.8	8	0	0	107.5
39	P	33.5	Very low	26.3	Very low	120 Å²	120	143.4 Å²	143.4	78%	0.779	79%	0.786	S	S	*	*			cis	-147	-173.9	46.3	40.8	-19.3	0	0	0	117.4
40	S	25.3	Very low	26.2	Very low	105 Å²	105	141 Å²	141	73%	0.734	78%	0.784	S	S	*	*			trans	-82	172.4	168	63.6	0	0	0	0	111.9
41	P	39.4	Very low	26.3	Very low	102 Å²	102	137.6 Å²	137.6	66%	0.662	78%	0.781	S	S	*	*				-158.8	165.2	84.6	41.6	-22	0	0	0	119
42	R	24.5	Very low	26.3	Very low	203 Å²	203	139.3 Å²	139.3	77%	0.766	78%	0.781	S	S	*	*			trans	68.2	157.7	151.3	-72.2	163.5	-179.5	-166.5	0.5	118.6
43	Y	25.2	Very low	26.3	Very low	169 Å²	169	137.8 Å²	137.8	66%	0.663	77%	0.774	S	S	*	*			cis	-159	144.9	-6.2	-116.8	-40	0	0	0	110.7
44	N	24.1	Very low	26.3	Very low	138 Å²	138	139.6 Å²	139.6	74%	0.738	77%	0.768	S	S	*	*			trans	50.5	161.1	152.6	-58.7	-9.2	0	0	0	120
45	T	25.2	Very low	26.2	Very low	129 Å²	129	137.8 Å²	137.8	79%	0.791	77%	0.769	S	S	*	*			cis	-133.5	-175.8	12.9	50.2	0	0	0	0	113.3
46	L	24.3	Very low	26.1	Very low	160 Å²	160	140.2 Å²	140.2	84%	0.838	78%	0.777	S	S	*	*			trans	-63.8	170.8	166.6	-58.2	91.2	0	0	0	111.3
47	S	24.6	Very low	26	Very low	100 Å²	100	133.2 Å²	133.2	70%	0.699	77%	0.773	S	S	*	*			cis	-163.8	150.8	33.1	56.7	0	0	0	0	118
48	S	24	Very low	25.9	Very low	94 Å²	94	130.5 Å²	130.5	66%	0.657	77%	0.768	S	S	*	*			trans	58.4	128.8	137.4	66.3	0	0	0	0	124.2
49	I	25.9	Very low	25.7	Very low	176 Å²	176	133.7 Å²	133.7	90%	0.903	77%	0.772	S	S	*	*			trans	77.6	134.4	149.5	-60.1	155.7	0	0	0	117.9
50	G	25	Very low	25.2	Very low	66 Å²	66	135.2 Å²	135.2	68%	0.68	77%	0.773	S	S	*	*			trans	145.5	81.8	163.8	0	0	0	0	0	116.9
51	S	25.3	Very low	25.1	Very low	111 Å²	111	137.2 Å²	137.2	78%	0.776	78%	0.781	S	S	*	*			trans	-3.9	118.7	164.3	53.8	0	0	0	0	121.2
52	T	26.8	Very low	24.3	Very low	137 Å²	137	142.7 Å²	142.7	84%	0.84	79%	0.788	S	S	*	*			trans	21.9	148.3	138	47.7	0	0	0	0	123.6
53	P	27.2	Very low	24.3	Very low	113 Å²	113	139 Å²	139	73%	0.734	78%	0.779	S	S	*	*			trans	-104.5	161	-163.1	41.7	-37.1	0	0	0	117.3
54	V	25.5	Very low	24.2	Very low	123 Å²	123	140 Å²	140	75%	0.745	78%	0.784	S	S	*	*			trans	25.2	126.4	136.2	-172.1	0	0	0	0	119.4	E56	V54-E56 HydrophobicContact CG1-CG 4.36Å
55	T	24.5	Very low	24.1	Very low	141 Å²	141	144.3 Å²	144.3	87%	0.865	79%	0.789	S	S	*	*			trans	-124.1	137.7	140.6	48.6	0	0	0	0	110.5
56	E	22.9	Very low	23.9	Very low	189 Å²	189	149.7 Å²	149.7	88%	0.883	80%	0.795	S	S	*	*			trans	-77.8	177.1	178.6	-51.9	165.1	118.1	0	0	111.6	V54	V54-E56 HydrophobicContact CG1-CG 4.36Å
57	G	22.8	Very low	23.9	Very low	74 Å²	74	148 Å²	148	76%	0.763	79%	0.791	S	S	*	*			trans	155.6	55	164.8	0	0	0	0	0	118.9	R59	G57-R59 PolarHBondContact O-N 3.25Å
58	C	22.3	Very low	23.7	Very low	115 Å²	115	154.9 Å²	154.9	78%	0.777	80%	0.802	S	S	*	*			trans	-31.1	129.6	170.2	-178.4	0	0	0	0	116.4
59	R	22.2	Very low	23.7	Very low	243 Å²	243	157.1 Å²	157.1	92%	0.917	81%	0.811	S	S	*	*			trans	-136.8	135	151.5	-85	-166.8	173.6	-177.4	-0.5	111.4	G57	G57-R59 PolarHBondContact O-N 3.25Å
60	L	23.1	Very low	23.5	Very low	151 Å²	151	153.3 Å²	153.3	79%	0.791	81%	0.806	S	S	*	*			trans	-80.6	147.5	169.6	-64.7	80.3	0	0	0	110.4
61	T	23.1	Very low	23.4	Very low	148 Å²	148	153.3 Å²	153.3	91%	0.908	81%	0.806	S	S	*	*			trans	-165	155.4	135.2	13.3	0	0	0	0	109
62	R	21.9	Very low	23.2	Very low	216 Å²	216	156 Å²	156	82%	0.815	81%	0.811	S	S	*	*			trans	-135.6	127.5	-179.6	-136.5	-169.4	165.3	167.8	0.9	110.7
63	H	23.5	Very low	23.3	Very low	126 Å²	126	154.7 Å²	154.7	58%	0.583	81%	0.805	S	S	*	*			trans	71.9	139.4	152	-71.9	-52.5	0	0	0	124.3
64	Y	23.3	Very low	23	Very low	191 Å²	191	157.8 Å²	157.8	75%	0.749	81%	0.814	S	S	*	*			trans	88.9	97.9	138.7	-73.8	-48	0	0	0	123.9
65	R	22.4	Very low	22.9	Very low	228 Å²	228	155 Å²	155	86%	0.86	80%	0.804	S	S	*	*				81.7	145.9	116.5	-134.9	173.7	-175.7	166.9	-0.1	120.1
66	W	22.2	Very low	22.9	Very low	242 Å²	242	156.8 Å²	156.8	92%	0.917	80%	0.802	S	S	*	*			trans	-71.7	164.5	177.3	-55.9	8.6	0	0	0	113
67	V	23.7	Very low	22.9	Very low	125 Å²	125	154 Å²	154	76%	0.758	80%	0.798	S	S	*	*				-170.3	140.2	105.2	143.7	0	0	0	0	110.5	V69	V67-V69 HydrophobicContact CG1-CG2 3.97Å
68	R	20.9	Very low	23	Very low	244 Å²	244	154.7 Å²	154.7	92%	0.921	80%	0.797	S	S	*	*			trans	-89.8	138	161.1	-82.8	-177.2	172.7	177.5	-2.6	108.6
69	V	22.9	Very low	23.1	Very low	140 Å²	140	156.4 Å²	156.4	85%	0.848	80%	0.804	S	S	*	*			trans	-118.4	128.1	156.6	178.7	0	0	0	0	108.1	V67	V67-V69 HydrophobicContact CG1-CG2 3.97Å
70	A	21.4	Very low	23.1	Very low	96 Å²	96	150 Å²	150	79%	0.793	80%	0.797	S	S	*	*			trans	-130.8	145.5	167.6	0	0	0	0	0	107.6
71	G	22.7	Very low	23.1	Very low	66 Å²	66	155 Å²	155	68%	0.68	81%	0.805	S	S	*	*			trans	159.6	70.3	-168.4	0	0	0	0	0	109.9
72	L	21.8	Very low	23.2	Very low	168 Å²	168	153.2 Å²	153.2	88%	0.88	80%	0.798	S	S	*	*				68.2	151.9	79.2	-74.5	167.7	0	0	0	113.1
73	P	28.9	Very low	23.7	Very low	110 Å²	110	148 Å²	148	71%	0.714	79%	0.793	S	S	*	*				-114.2	-176.5	-127.4	42.9	-38.2	0	0	0	113.8
74	L	21	Very low	23.6	Very low	177 Å²	177	148.5 Å²	148.5	93%	0.927	81%	0.809	S	S	*	*			trans	-139.1	154.1	152.5	-103.8	165.3	0	0	0	109.5
75	A	23.1	Very low	23.6	Very low	65 Å²	65	143 Å²	143	54%	0.537	81%	0.81	S	S	.	*			trans	-147.8	161.2	-165.4	0	0	0	0	0	112.8
76	H	24.9	Very low	23.6	Very low	179 Å²	179	140.3 Å²	140.3	83%	0.829	81%	0.812	S	S	*	*			trans	65	155.2	170.4	-53.8	-66.5	0	0	0	115.5
77	T	23.3	Very low	23.7	Very low	129 Å²	129	133.4 Å²	133.4	79%	0.791	80%	0.8	S	S	*	*			cis	-145.9	163.9	-5.8	-9.8	0	0	0	0	109.2
78	A	23.6	Very low	23.6	Very low	90 Å²	90	133.6 Å²	133.6	74%	0.744	80%	0.802	S	S	*	*			trans	-82.5	146.7	169.2	0	0	0	0	0	112
79	T	24.6	Very low	24.3	Very low	150 Å²	150	127.5 Å²	127.5	92%	0.92	79%	0.794	S	S	*	*			trans	-163.9	152.7	145.4	2.9	0	0	0	0	110.5
80	S	23.6	Very low	24.3	Very low	109 Å²	109	125 Å²	125	76%	0.762	79%	0.788	S	S	*	*			trans	-106	151.8	179.3	56.2	0	0	0	0	111.7
81	R	23.3	Very low	24.3	Very low	255 Å²	255	131.6 Å²	131.6	96%	0.962	79%	0.792	S	S	*	*			trans	-166.6	169.8	142.6	-107.7	160.1	-167.8	-160.9	2.1	111.9
82	S	24.4	Very low	24.3	Very low	111 Å²	111	135.1 Å²	135.1	78%	0.776	80%	0.795	S	S	*	*			trans	-98.4	-168.9	-166.6	67.8	0	0	0	0	111.3
83	P	32.7	Very low	24.3	Very low	108 Å²	108	134.4 Å²	134.4	70%	0.701	79%	0.791	S	S	*	*				-119.6	178	-122.3	37.3	-18.8	0	0	0	116.2
84	C	21.1	Very low	24	Very low	135 Å²	135	134.6 Å²	134.6	91%	0.912	80%	0.795	S	S	*	*			trans	73.4	124.2	163.6	-63	0	0	0	0	118.7
85	G	23.3	Very low	24.1	Very low	75 Å²	75	134.8 Å²	134.8	77%	0.773	79%	0.789	S	S	*	*			trans	175.1	124.8	169.3	0	0	0	0	0	113.1
86	L	23.2	Very low	24	Very low	173 Å²	173	143 Å²	143	91%	0.906	81%	0.806	S	S	*	*			trans	-81.5	160.6	170.9	-80.7	74	0	0	0	109.6
87	S	22.6	Very low	23.9	Very low	96 Å²	96	138.6 Å²	138.6	67%	0.671	80%	0.8	S	S	*	*			cis	-170.5	150.4	-9.2	46.9	0	0	0	0	111
88	V	23.3	Very low	24	Very low	130 Å²	130	138.7 Å²	138.7	79%	0.788	81%	0.806	S	S	*	*			trans	24.9	136.5	132.8	-171.9	0	0	0	0	119.1
89	P	34.8	Very low	24	Very low	116 Å²	116	138.3 Å²	138.3	75%	0.753	81%	0.811	S	S	*	*			cis	-137.5	-174.6	-15.5	38.4	-19.1	0	0	0	115.4
90	A	23	Very low	23.9	Very low	88 Å²	88	136.5 Å²	136.5	73%	0.727	81%	0.811	S	S	*	*				133.1	108.2	126.1	0	0	0	0	0	118.8
91	R	21.8	Very low	23.9	Very low	234 Å²	234	135 Å²	135	88%	0.883	81%	0.813	S	S	*	*			trans	50.6	135.5	130.4	-83.5	-174.1	174.7	-174.6	-0.8	123.7
92	L	22.7	Very low	23.8	Very low	139 Å²	139	132.9 Å²	132.9	73%	0.728	81%	0.812	S	S	*	*			trans	84.3	126	149.8	-94	79	0	0	0	120.2
93	L	22.2	Very low	23.8	Very low	153 Å²	153	132.5 Å²	132.5	80%	0.801	81%	0.809	S	S	*	*			trans	29.8	125.9	135.6	-68.6	157.9	0	0	0	117.5
94	S	22.6	Very low	23.4	Very low	114 Å²	114	130.3 Å²	130.3	80%	0.797	81%	0.806	S	S	*	*				-171.8	-163.2	58.6	61.7	0	0	0	0	114.6
95	F	21.2	Very low	23.6	Very low	182 Å²	182	132.4 Å²	132.4	80%	0.798	80%	0.802	S	S	*	*			trans	-51.7	139.1	-166.3	-91.3	-112.4	0	0	0	119.5
96	W	21.9	Very low	23.8	Very low	236 Å²	236	136.9 Å²	136.9	89%	0.894	81%	0.808	S	S	*	*			trans	28.5	132.4	133	-87.5	2.7	0	0	0	123.4
97	A	23.7	Very low	24	Very low	87 Å²	87	132.5 Å²	132.5	72%	0.719	81%	0.805	S	S	*	*			trans	75.1	107.2	131.1	0	0	0	0	0	120.6
98	S	23.9	Very low	24.1	Very low	131 Å²	131	131.6 Å²	131.6	92%	0.916	81%	0.811	S	S	*	*				-166.2	156.2	106	-78.4	0	0	0	0	110.4
99	G	23.2	Very low	24.3	Very low	82 Å²	82	133.8 Å²	133.8	85%	0.845	81%	0.813	S	S	*	*			trans	-118.4	150.1	178.4	0	0	0	0	0	112.6
100	A	24.5	Very low	23.8	Very low	112 Å²	112	134.9 Å²	134.9	93%	0.926	81%	0.812	S	S	*	*			trans	-141.1	143.3	164.2	0	0	0	0	0	107.6
101	G	22.9	Very low	24.1	Very low	78 Å²	78	135 Å²	135	80%	0.804	81%	0.813	S	S	*	*			trans	-127.8	-179.1	-173	0	0	0	0	0	113.4
102	F	20.4	Very low	24.2	Very low	211 Å²	211	128.7 Å²	128.7	93%	0.925	81%	0.811	S	S	*	*			trans	-153.6	159.6	173.8	-155.3	-109.2	0	0	0	114.8
103	S	24.2	Very low	24.4	Very low	102 Å²	102	128.1 Å²	128.1	71%	0.713	82%	0.819	S	S	*	*			trans	-44.8	166.2	-175.1	-161.3	0	0	0	0	120.8
104	G	24.7	Very low	24.6	Very low	62 Å²	62	124.7 Å²	124.7	64%	0.639	82%	0.82	S	S	*	*			trans	173.3	83.3	161	0	0	0	0	0	118.8
105	E	26.4	Very low	24.9	Very low	180 Å²	180	123 Å²	123	84%	0.841	82%	0.821	S	S	*	*			trans	51.2	111.4	144.5	-71.3	149.3	98	0	0	125.6
106	D	27.7	Very low	25.2	Very low	168 Å²	168	122 Å²	122	90%	0.898	82%	0.824	S	S	*	*				36.4	145.2	122.3	-61.9	-9.1	0	0	0	126.3
107	G	26.9	Very low	25.5	Very low	81 Å²	81	119.4 Å²	119.4	84%	0.835	82%	0.822	S	S	*	*			trans	158.9	97.7	148.7	0	0	0	0	0	121.3
108	G	25.1	Very low	25.8	Very low	78 Å²	78	120.7 Å²	120.7	80%	0.804	83%	0.826	S	S	*	*				86	82.5	130	0	0	0	0	0	124.8
109	E	26.3	Very low	26	Very low	176 Å²	176	118.6 Å²	118.6	82%	0.822	83%	0.825	S	S	*	*				59.5	144.8	127.7	-77.2	-169.4	-158.4	0	0	128
110	N	25.6	Very low	26.2	Very low	139 Å²	139	118.3 Å²	118.3	74%	0.743	82%	0.822	S	S	*	*			trans	95.3	101	142.8	-71.3	-36.7	0	0	0	125.3
111	A	27.4	Very low	26.3	Very low	90 Å²	90	120.9 Å²	120.9	74%	0.744	82%	0.82	S	S	*	*				95	84.9	117.5	0	0	0	0	0	123.3
112	A	25.8	Very low	26.5	Very low	102 Å²	102	121.3 Å²	121.3	84%	0.843	83%	0.825	S	S	*	*				51.9	129.5	123.7	0	0	0	0	0	123.6
113	S	27	Very low	26.9	Very low	127 Å²	127	119.3 Å²	119.3	89%	0.888	82%	0.824	S	S	*	*				169.6	133.6	91.2	-169.9	0	0	0	0	115.5
114	G	26.3	Very low	27.2	Very low	80 Å²	80	118.3 Å²	118.3	83%	0.825	82%	0.822	S	S	*	*			trans	91.7	120.1	144.6	0	0	0	0	0	120.5
115	G	27.2	Very low	28	Very low	80 Å²	80	121.5 Å²	121.5	83%	0.825	83%	0.831	S	S	*	*			trans	140.7	99	162.4	0	0	0	0	0	115
116	D	27.2	Very low	28.2	Very low	160 Å²	160	124.3 Å²	124.3	86%	0.856	84%	0.836	S	S	*	*			trans	-83.9	148.9	179.7	-64.2	-76.8	0	0	0	113.9
117	E	28.3	Very low	28.5	Very low	181 Å²	181	121.9 Å²	121.9	85%	0.846	83%	0.832	S	S	*	*				-179.1	146.4	99.1	-93.2	-160.5	147.1	0	0	114.6
118	S	30.2	Very low	28.8	Very low	114 Å²	114	120.9 Å²	120.9	80%	0.797	82%	0.821	S	S	*	*			trans	42.9	105	158.4	60.5	0	0	0	0	120.5
119	G	27.9	Very low	29.5	Very low	88 Å²	88	122.4 Å²	122.4	91%	0.907	82%	0.817	S	S	*	*			trans	-89.9	-174.8	171	0	0	0	0	0	115.6
120	G	27.9	Very low	30.4	Very low	76 Å²	76	121.9 Å²	121.9	78%	0.784	82%	0.815	S	S	*	*			trans	179	66.1	-178.8	0	0	0	0	0	116.8
121	N	27.5	Very low	31.1	Very low	166 Å²	166	121 Å²	121	89%	0.888	81%	0.807	S	S	*	*			trans	41	107.7	160.4	-66	-6.7	0	0	0	120.1
122	G	26.1	Very low	32.5	Very low	87 Å²	87	119.5 Å²	119.5	90%	0.897	79%	0.789	S	S	*	*			trans	-68.3	178.9	173.2	0	0	0	0	0	117.4
123	D	28.7	Very low	33.5	Very low	169 Å²	169	119 Å²	119	90%	0.904	79%	0.785	S	S	*	*			trans	-130.5	158.3	-175.8	-159.7	-0.1	0	0	0	110.1
124	A	31.5	Very low	35.2	Very low	81 Å²	81	115.2 Å²	115.2	67%	0.669	76%	0.755	S	S	*	*			trans	-122.3	157.9	-167.1	0	0	0	0	0	112.8
125	P	42.1	Very low	36.1	Very low	129 Å²	129	116.8 Å²	116.8	84%	0.838	75%	0.748	S	S	*	*			trans	-84.3	162.4	-148.4	31	-36.9	0	0	0	117.5
126	Y	30.3	Very low	37.1	Very low	238 Å²	238	118.2 Å²	118.2	93%	0.933	74%	0.743	S	S	*	*			trans	-50	150.6	179.2	-86.5	-113	0	0	0	115.9
127	S	33.4	Very low	38.5	Very low	118 Å²	118	114.5 Å²	114.5	83%	0.825	72%	0.721	S	S	*	*			trans	-108.8	155.3	160	59.9	0	0	0	0	111.6
128	G	33.7	Very low	40.1	Very low	59 Å²	59	114.6 Å²	114.6	61%	0.608	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-81.5	161.7	-174.8	0	0	0	0	0	114.9
129	P	39.8	Very low	42	Very low	110 Å²	110	111.1 Å²	111.1	71%	0.714	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-68.4	131.5	-175	27.8	-34.9	0	0	0	112.8
130	Q	44.6	Very low	44.2	Very low	166 Å²	166	109.1 Å²	109.1	78%	0.776	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-82.1	139.2	174.4	-67.1	-177.8	-20.2	0	0	111.4
131	M	40.5	Very low	46.1	Very low	120 Å²	120	113.4 Å²	113.4	59%	0.591	67%	0.669	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-102.9	137.3	168.7	-66.3	-177.5	67.7	0	0	110.2	E218	M131-E218 WeakPolarHBondContact CE-OE1 3.37Å
132	T	56.3	Low	48.3	Very low	58 Å²	58	110.6 Å²	110.6	36%	0.356	66%	0.658	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-125.9	104.8	179.9	49.2	0	0	0	0	111.5	M219	T132-M219 PolarHBondContact OG1-O 3.31Å
133	A	46.8	Very low	50.8	Low	92 Å²	92	108.3 Å²	108.3	76%	0.76	62%	0.623	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-79.7	137.7	168.8	0	0	0	0	0	110.4
134	L	63.1	Low	53.1	Low	48 Å²	48	102.6 Å²	102.6	25%	0.251	60%	0.595	S	S	.	*			trans	-108	129.2	-176.5	-56.3	176.6	0	0	0	110.6	V179 P184 I216 H217	L134-V179 HydrophobicContact CD1-CG1 3.79Å; L134-V179 HydrophobicContact CD1-CG2 4.2Å; L134-V179 HydrophobicContact CD2-CG1 3.74Å; L134-V179 HydrophobicContact CG-CG1 4.4Å; L134-P184 HydrophobicContact CD1-CB 3.92Å; L134-I216 HydrophobicContact CD1-CG2 4.5Å; L134-H217 PolarHBondContact N-O 3.45Å
135	T	44.9	Very low	55.5	Low	113 Å²	113	102 Å²	102	69%	0.693	58%	0.581	S	S	*	*			trans	-69.4	137.9	177.1	35	0	0	0	0	111.4	M137	T135-M137 PolarHBondContact O-N 3.47Å; T135-M137 VanDerWaalsContact O-N 3.08Å
136	P	48.1	Very low	57.5	Low	109 Å²	109	95.9 Å²	95.9	71%	0.708	54%	0.541	S	S	*	.			trans	-73	105.9	-174.3	28.5	-34.5	0	0	0	111.5
137	M	56.6	Low	60.1	Low	82 Å²	82	84.5 Å²	84.5	40%	0.404	50%	0.496	S	S	.	.	P	Polyproline II helix	trans	-82.1	148.3	166.8	-65.2	160	-129.8	0	0	109.6	T135 V139 A182	T135-M137 PolarHBondContact O-N 3.47Å; T135-M137 VanDerWaalsContact O-N 3.08Å; M137-V139 PolarHBondContact O-N 2.92Å; M137-A182 HydrophobicContact CE-CB 4.15Å; M137-A182 HydrophobicContact SD-CB 4.12Å
138	M	61.7	Low	62.7	Low	184 Å²	184	79.2 Å²	79.2	91%	0.906	46%	0.459	S	S	*	.	P	Polyproline II helix	trans	-61.4	129.7	176.7	-69.1	-177.2	71.1	0	0	110.7	P140	M138-P140 WeakPolarHBondContact O-CD 3.21Å
139	V	70.4	Confident	65.2	Low	40 Å²	40	76.6 Å²	76.6	24%	0.242	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-75.7	123.1	-175.3	-176.2	0	0	0	0	110.4	M137 Y185 F213 Q215	M137-V139 PolarHBondContact O-N 2.92Å; V139-Y185 HydrophobicContact CG1-CE1 4.1Å; V139-Y185 HydrophobicContact CG2-CE1 4.21Å; V139-F213 HydrophobicContact CG1-CD1 4.44Å; V139-F213 HydrophobicContact CG1-CE1 3.73Å; V139-Q215 VanDerWaalsContact CG2-OE1 3.27Å
140	P	74.4	Confident	67.5	Low	47 Å²	47	71.7 Å²	71.7	31%	0.305	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-64.6	134.9	-179.9	-22.7	33.9	0	0	0	112.8	M138 V142 F143 R234	M138-P140 WeakPolarHBondContact O-CD 3.21Å; P140-V142 VanDerWaalsContact C-N 3.26Å; P140-V142 PolarHBondContact O-N 3.44Å; P140-F143 HydrophobicContact CB-CB 4.45Å; P140-F143 HydrophobicContact CG-CD2 4.25Å; P140-R234 PolarHBondContact O-NH1 3.48Å; P140-R234 PolarHBondContact O-NH2 3.01Å
141	E	68.4	Low	69.5	Low	165 Å²	165	64.5 Å²	64.5	77%	0.771	37%	0.367	S	S	*	.	S	Bend	trans	-63.1	-31.2	178	-65.4	-169.1	152.9	0	0	112.9	R234 N315	E141-R234 PolarHBondContact O-NH1 3.3Å; E141-R234 PolarHBondContact O-NH2 3.38Å; E141-R234 VanDerWaalsContact O-NH2 3.17Å; E141-N315 PolarHBondContact O-ND2 3.45Å
142	V	73.8	Confident	71.5	Confident	108 Å²	108	60.5 Å²	60.5	66%	0.655	35%	0.35	S	S	*	.			trans	-127.2	124.6	174.1	-176.4	0	0	0	0	108.9	P140	P140-V142 VanDerWaalsContact C-N 3.26Å; P140-V142 PolarHBondContact O-N 3.44Å
143	F	78.3	Confident	72.5	Confident	38 Å²	38	65.1 Å²	65.1	17%	0.167	36%	0.361	C	S	.	.			trans	-151.5	88.3	177.5	-166.5	-85	0	0	0	108.6	P140 N145 V146 Y185 F213	P140-F143 HydrophobicContact CB-CB 4.45Å; P140-F143 HydrophobicContact CG-CD2 4.25Å; F143-N145 WeakPolarHBondContact CE1-O 3.33Å; F143-V146 HydrophobicContact CD1-CG1 3.83Å; F143-V146 HydrophobicContact CE1-CG1 4.15Å; F143-Y185 HydrophobicContact CE2-CD2 4.38Å; F143-Y185 HydrophobicContact CZ-CD2 4.38Å; F143-F213 HydrophobicContact CB-CE2 3.9Å; F143-F213 HydrophobicContact CB-CZ 4.13Å; F143-F213 AromaticContact CD1-CE2 3.92Å; F143-F213 HydrophobicContact CD1-CE2 3.92Å; F143-F213 HydrophobicContact CD1-CZ 4.34Å; F143-F213 HydrophobicContact CG-CE2 4.21Å; F143-F213 HydrophobicContact CG-CZ 4.36Å
144	P	76.1	Confident	74.2	Confident	50 Å²	50	64.2 Å²	64.2	33%	0.325	34%	0.344	S	S	.	.			trans	-78.4	-31.6	-164.6	27.2	-32.8	0	0	0	113.9	E312 V313	P144-E312 HydrophobicContact CB-CG 4.26Å; P144-E312 CarbonylContact O-C 3.55Å; P144-E312 VanDerWaalsContact O-CA 3.31Å; P144-E312 WeakPolarHBondContact O-CA 3.1Å; P144-V313 WeakPolarHBondContact O-CG2 3.42Å; P144-V313 PolarHBondContact O-N 3.44Å
145	N	82.8	Confident	75.2	Confident	68 Å²	68	62.6 Å²	62.6	36%	0.364	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	96.8	-169	-61.4	29.6	0	0	0	110.9	F143 L242	F143-N145 WeakPolarHBondContact CE1-O 3.33Å; N145-L242 WeakPolarHBondContact ND2-CD1 3.36Å
146	V	83.7	Confident	77.2	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	148.8	-177.7	-67.2	0	0	0	0	112.3	F143 F213 M310 V311 V313	F143-V146 HydrophobicContact CD1-CG1 3.83Å; F143-V146 HydrophobicContact CE1-CG1 4.15Å; V146-F213 HydrophobicContact CG1-CD2 4.04Å; V146-F213 HydrophobicContact CG1-CE2 3.78Å; V146-M310 VanDerWaalsContact C-CE 3.47Å; V146-M310 WeakPolarHBondContact O-CE 3.43Å; V146-V311 PolarHBondContact N-O 2.89Å; V146-V311 PolarHBondContact O-N 3.03Å; V146-V313 HydrophobicContact CG1-CG2 4.44Å; V146-V313 HydrophobicContact CG2-CB 4.45Å; V146-V313 HydrophobicContact CG2-CG1 3.7Å; V146-V313 HydrophobicContact CG2-CG2 3.81Å
147	P	85.6	Confident	79	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	138.3	161.8	30.1	-32.9	0	0	0	109.6	L174 L175 Y185 A186 G187 M310	P147-L174 HydrophobicContact CB-CD2 3.64Å; P147-L174 HydrophobicContact CG-CD2 4.2Å; P147-L175 HydrophobicContact CB-CD2 4.24Å; P147-L175 HydrophobicContact CG-CD2 3.84Å; P147-Y185 WeakPolarHBondContact CD-O 3.38Å; P147-Y185 WeakPolarHBondContact CG-O 3.21Å; P147-A186 HydrophobicContact CG-CB 4.06Å; P147-G187 PolarHBondContact O-N 2.62Å; P147-M310 HydrophobicContact CB-SD 4.05Å
148	L	86.3	Confident	80.3	Confident	7 Å²	7	49.5 Å²	49.5	4%	0.037	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	133.3	176.5	-175.2	137.5	0	0	0	110.8	A150 F189 V201 I207 I238 V311	L148-A150 HydrophobicContact CD2-CB 4.18Å; L148-F189 HydrophobicContact CD1-CB 4.47Å; L148-F189 HydrophobicContact CD1-CD2 3.63Å; L148-F189 HydrophobicContact CD1-CE2 4.17Å; L148-F189 HydrophobicContact CD1-CG 4.23Å; L148-F189 HydrophobicContact CG-CD2 3.94Å; L148-V201 HydrophobicContact CD2-CB 4.49Å; L148-I207 HydrophobicContact CD1-CD1 3.54Å; L148-I238 HydrophobicContact CD1-CD1 3.89Å; L148-V311 HydrophobicContact CB-CG2 3.94Å; L148-V311 HydrophobicContact CD1-CG2 3.88Å
149	I	88.3	Confident	81.2	Confident	3 Å²	3	46.9 Å²	46.9	2%	0.015	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	116.7	169.7	-57.7	178.3	0	0	0	107.3	V151 I164 L175 A186 G187 V188 F189 M228	I149-V151 HydrophobicContact CG2-CG2 4.23Å; I149-I164 HydrophobicContact CG2-CG2 4.16Å; I149-L175 HydrophobicContact CD1-CD1 3.9Å; I149-L175 HydrophobicContact CD1-CD2 4.46Å; I149-L175 HydrophobicContact CG1-CD1 4.37Å; I149-A186 HydrophobicContact CD1-CB 3.67Å; I149-A186 HydrophobicContact CG1-CB 4.19Å; I149-G187 PolarHBondContact N-O 3.15Å; I149-V188 HydrophobicContact CB-CG2 4.3Å; I149-V188 WeakPolarHBondContact O-CA 3.48Å; I149-F189 PolarHBondContact O-N 3.39Å; I149-M228 HydrophobicContact CD1-SD 4.14Å
150	A	86.3	Confident	81.7	Confident	7 Å²	7	46.3 Å²	46.3	6%	0.058	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	130.1	178.5	0	0	0	0	0	110.6	L148 K191 D199 V201	L148-A150 HydrophobicContact CD2-CB 4.18Å; A150-K191 HydrophobicContact CB-CG 4.08Å; A150-D199 PolarHBondContact N-O 2.88Å; A150-V201 HydrophobicContact CB-CG2 3.52Å
151	V	86.9	Confident	82.1	Confident	16 Å²	16	49.1 Å²	49.1	10%	0.097	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	134.3	-176.4	172.6	0	0	0	0	110.5	I149 I164 V188 F189 M190 K191	I149-V151 HydrophobicContact CG2-CG2 4.23Å; V151-I164 HydrophobicContact CG2-CD1 4.05Å; V151-V188 HydrophobicContact CB-CG1 4.17Å; V151-V188 HydrophobicContact CG2-CG1 3.61Å; V151-F189 PolarHBondContact N-O 3.23Å; V151-M190 VanDerWaalsContact O-CA 3.31Å; V151-M190 WeakPolarHBondContact O-CA 3.3Å; V151-M190 WeakPolarHBondContact O-CG 3.22Å; V151-K191 PolarHBondContact O-N 2.63Å
152	S	82.3	Confident	82.9	Confident	35 Å²	35	44 Å²	44	25%	0.245	22%	0.219	C	C	.	.			trans	-89.7	156.9	174.4	-44.4	0	0	0	0	111.8	N154	S152-N154 VanDerWaalsContact C-N 3.29Å; S152-N154 PolarHBondContact O-N 3.02Å
153	R	78.8	Confident	83.5	Confident	156 Å²	156	43.5 Å²	43.5	59%	0.589	21%	0.212	S	C	*	.	S	Bend	trans	66.7	-50.5	170.7	-56.7	-178.2	-172.4	177.1	4.4	117.9	D194 S381	R153-D194 VanDerWaalsContact CA-OD1 3.27Å; R153-D194 WeakPolarHBondContact CA-OD1 3.42Å; R153-D194 HydrophobicContact CG-CB 4.28Å; R153-D194 WeakPolarHBondContact CG-OD1 3.32Å; R153-D194 PolarHBondContact N-OD1 3.21Å; R153-S381 VanDerWaalsContact O-CA 3.28Å; R153-S381 WeakPolarHBondContact O-CA 3.35Å; R153-S381 WeakPolarHBondContact O-CB 3.44Å
154	N	81.3	Confident	83.9	Confident	73 Å²	73	42.3 Å²	42.3	39%	0.39	21%	0.207	S	C	.	.	S	Bend	trans	-127.7	114.7	-171.2	-65.4	74	0	0	0	110.2	S152 K162	S152-N154 VanDerWaalsContact C-N 3.29Å; S152-N154 PolarHBondContact O-N 3.02Å; N154-K162 PolarHBondContact O-NZ 2.88Å
155	P	84.9	Confident	84.5	Confident	14 Å²	14	43 Å²	43	9%	0.091	21%	0.206	C	C	.	.			trans	-65.3	165.5	174	28.2	-32.8	0	0	0	111.4	F157 M190 L384 L388	P155-F157 HydrophobicContact CG-CE2 4.09Å; P155-F157 HydrophobicContact CG-CZ 4.07Å; P155-M190 HydrophobicContact CB-SD 4.43Å; P155-M190 HydrophobicContact CG-SD 4.38Å; P155-L384 HydrophobicContact CG-CB 3.83Å; P155-L388 HydrophobicContact CB-CD2 4.17Å
156	V	86.3	Confident	84.6	Confident	5 Å²	5	39.8 Å²	39.8	3%	0.03	19%	0.189	C	C	.	.			trans	-95.9	115.4	171.1	177.1	0	0	0	0	108.2	K162 V188 T212 V214	V156-K162 HydrophobicContact CG2-CB 4.13Å; V156-K162 HydrophobicContact CG2-CD 3.66Å; V156-V188 HydrophobicContact CB-CG1 4.41Å; V156-V188 HydrophobicContact CG2-CB 4.36Å; V156-V188 HydrophobicContact CG2-CG1 3.77Å; V156-T212 HydrophobicContact CG1-CG2 4.25Å; V156-T212 WeakPolarHBondContact O-CB 3.18Å; V156-T212 PolarHBondContact O-OG1 3.44Å; V156-V214 HydrophobicContact CG1-CG2 4.07Å
157	F	86.5	Confident	84.6	Confident	7 Å²	7	43.7 Å²	43.7	3%	0.031	21%	0.206	C	C	.	.			trans	-79.8	151.9	175.7	-72	-75	0	0	0	112	P155 F160 D371 A374 A375 L384 V387 L388	P155-F157 HydrophobicContact CG-CE2 4.09Å; P155-F157 HydrophobicContact CG-CZ 4.07Å; F157-F160 HydrophobicContact CB-CB 4.5Å; F157-F160 HydrophobicContact CB-CD2 3.49Å; F157-F160 VanDerWaalsContact CB-CD2 3.49Å; F157-F160 HydrophobicContact CB-CE2 4.1Å; F157-F160 HydrophobicContact CB-CG 4.11Å; F157-F160 WeakPolarHBondContact O-CB 3.46Å; F157-F160 PolarHBondContact O-N 2.92Å; F157-F160 VanDerWaalsContact O-N 3.17Å; F157-D371 HydrophobicContact CB-CB 4.39Å; F157-D371 HydrophobicContact CD1-CB 4.35Å; F157-D371 WeakPolarHBondContact CD1-OD1 3.45Å; F157-A374 HydrophobicContact CE1-CB 4.04Å; F157-A374 HydrophobicContact CE2-CB 3.8Å; F157-A374 HydrophobicContact CZ-CB 3.49Å; F157-A374 VanDerWaalsContact CZ-CB 3.49Å; F157-A375 HydrophobicContact CD2-CB 3.94Å; F157-L384 HydrophobicContact CE2-CD2 4.27Å; F157-L384 HydrophobicContact CZ-CB 4.22Å; F157-L384 HydrophobicContact CZ-CD2 4.33Å; F157-V387 HydrophobicContact CE1-CG1 4.39Å; F157-L388 HydrophobicContact CD1-CD1 3.73Å; F157-L388 HydrophobicContact CE1-CB 4.08Å; F157-L388 HydrophobicContact CE1-CD1 3.96Å
158	P	84.1	Confident	84.6	Confident	16 Å²	16	46.5 Å²	46.5	10%	0.104	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	137.1	175.2	-23.4	34.7	0	0	0	112.7	F160 R235	P158-F160 VanDerWaalsContact C-N 3.26Å; P158-F160 WeakPolarHBondContact O-CD2 3.2Å; P158-F160 WeakPolarHBondContact O-CE2 3.24Å; P158-F160 PolarHBondContact O-N 3.36Å; P158-R235 HydrophobicContact CG-CG 3.88Å
159	R	79.8	Confident	84.3	Confident	129 Å²	129	53 Å²	53	49%	0.487	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	70	5.9	-171.6	-52.6	175.7	177.5	-174.4	-5.9	115.9	G232 Y368	R159-G232 VanDerWaalsContact CA-O 3.26Å; R159-G232 WeakPolarHBondContact CA-O 3.35Å; R159-G232 PolarHBondContact N-O 3.11Å; R159-Y368 HydrophobicContact CB-CE2 4.03Å
160	F	80.3	Confident	83.9	Confident	29 Å²	29	54 Å²	54	13%	0.127	26%	0.26	C	S	.	.			trans	-94.6	139.4	175	-69.4	-96.7	0	0	0	111.3	F157 P158 M231 G232 M355 Y368 D371 M372 A375	F157-F160 HydrophobicContact CB-CB 4.5Å; F157-F160 HydrophobicContact CB-CD2 3.49Å; F157-F160 VanDerWaalsContact CB-CD2 3.49Å; F157-F160 HydrophobicContact CB-CE2 4.1Å; F157-F160 HydrophobicContact CB-CG 4.11Å; F157-F160 WeakPolarHBondContact O-CB 3.46Å; F157-F160 PolarHBondContact O-N 2.92Å; F157-F160 VanDerWaalsContact O-N 3.17Å; P158-F160 VanDerWaalsContact C-N 3.26Å; P158-F160 WeakPolarHBondContact O-CD2 3.2Å; P158-F160 WeakPolarHBondContact O-CE2 3.24Å; P158-F160 PolarHBondContact O-N 3.36Å; F160-M231 WeakPolarHBondContact O-CA 3.06Å; F160-G232 PolarHBondContact O-N 2.9Å; F160-M355 HydrophobicContact CD1-SD 4.1Å; F160-M355 HydrophobicContact CE1-CE 4.46Å; F160-M355 HydrophobicContact CE1-SD 3.29Å; F160-M355 WeakPolarHBondContact CE1-SD 3.34Å; F160-M355 HydrophobicContact CZ-SD 3.92Å; F160-Y368 HydrophobicContact CE2-CE2 4.24Å; F160-Y368 HydrophobicContact CZ-CE2 4.47Å; F160-D371 HydrophobicContact CE2-CB 4.31Å; F160-M372 HydrophobicContact CZ-CB 3.95Å; F160-M372 HydrophobicContact CZ-CG 4.24Å; F160-A375 HydrophobicContact CD1-CB 3.52Å; F160-A375 HydrophobicContact CD2-CB 4.34Å; F160-A375 HydrophobicContact CE1-CB 3.25Å; F160-A375 HydrophobicContact CE2-CB 4.18Å; F160-A375 HydrophobicContact CG-CB 4.1Å; F160-A375 HydrophobicContact CZ-CB 3.69Å
161	I	84.1	Confident	83.7	Confident	106 Å²	106	54 Å²	54	54%	0.544	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	129.8	169.9	-56.1	176.3	0	0	0	107.8	I229 V230 M231	I161-I229 HydrophobicContact CG2-CG2 3.38Å; I161-V230 CarbonylContact C-O 3.54Å; I161-V230 VanDerWaalsContact CA-O 3.31Å; I161-V230 WeakPolarHBondContact CA-O 3.46Å; I161-M231 HydrophobicContact CD1-CE 3.8Å; I161-M231 HydrophobicContact CG1-CB 4.31Å; I161-M231 HydrophobicContact CG1-CE 3.79Å; I161-M231 HydrophobicContact CG1-CG 4.28Å
162	K	83.6	Confident	83.5	Confident	57 Å²	57	53.2 Å²	53.2	25%	0.248	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	149.8	173.4	-160.9	-178.3	-179.8	-171.2	0	109.7	N154 V156 V230	N154-K162 PolarHBondContact O-NZ 2.88Å; V156-K162 HydrophobicContact CG2-CB 4.13Å; V156-K162 HydrophobicContact CG2-CD 3.66Å; K162-V230 PolarHBondContact N-O 3.46Å; K162-V230 WeakPolarHBondContact O-CG2 3.36Å; K162-V230 PolarHBondContact O-N 3.5Å
163	I	87.3	Confident	83.4	Confident	97 Å²	97	57.7 Å²	57.7	50%	0.497	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	130.9	166.4	-52.9	-179.6	0	0	0	107.8	R227 M228 I229	I163-R227 HydrophobicContact CG2-CG 3.72Å; I163-M228 WeakPolarHBondContact CA-O 3.27Å; I163-I229 HydrophobicContact CG1-CG1 4.43Å
164	I	87.1	Confident	83.6	Confident	13 Å²	13	52 Å²	52	7%	0.067	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	142.5	173.2	-60.1	-177.5	0	0	0	108.2	I149 V151 V166 V188 R227 M228 V230	I149-I164 HydrophobicContact CG2-CG2 4.16Å; V151-I164 HydrophobicContact CG2-CD1 4.05Å; I164-V166 HydrophobicContact CG2-CG2 4.33Å; I164-V188 HydrophobicContact CD1-CG1 4.21Å; I164-V188 HydrophobicContact CD1-CG2 3.85Å; I164-R227 WeakPolarHBondContact O-CA 3.34Å; I164-M228 HydrophobicContact CB-CG 3.97Å; I164-M228 PolarHBondContact N-O 3.38Å; I164-M228 WeakPolarHBondContact O-CG 3.29Å; I164-M228 PolarHBondContact O-N 2.94Å; I164-V230 HydrophobicContact CD1-CG2 3.72Å; I164-V230 HydrophobicContact CG1-CG2 4.01Å
165	E	87.4	Confident	83.7	Confident	66 Å²	66	48.5 Å²	48.5	31%	0.308	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	138	167.1	-65	-172.5	-178.5	0	0	108.5	K225 L226 R227	E165-K225 IonicContact OE2-NZ 3.7Å; E165-K225 PolarHBondContact OE2-NZ 3.08Å; E165-L226 WeakPolarHBondContact CA-O 3.33Å; E165-R227 HydrophobicContact CG-CB 4.35Å; E165-R227 HydrophobicContact CG-CG 4.33Å; E165-R227 IonicContact OE1-CZ 2.77Å; E165-R227 IonicContact OE1-NE 2.82Å; E165-R227 PolarHBondContact OE1-NE 3.49Å; E165-R227 VanDerWaalsContact OE1-NE 3.1Å; E165-R227 IonicContact OE1-NH2 2.61Å; E165-R227 PolarHBondContact OE1-NH2 2.97Å
166	V	85.4	Confident	83.6	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	130.1	173.1	176.8	0	0	0	0	108.7	I164 L171 M172 L175 D199 K225 L226 M228	I164-V166 HydrophobicContact CG2-CG2 4.33Å; V166-L171 HydrophobicContact CG1-CB 4.13Å; V166-L171 HydrophobicContact CG1-CD2 3.84Å; V166-L171 HydrophobicContact CG1-CG 3.99Å; V166-M172 HydrophobicContact CB-CG 4.32Å; V166-M172 HydrophobicContact CG1-CG 3.88Å; V166-L175 HydrophobicContact CG2-CD1 4.39Å; V166-D199 HydrophobicContact CG1-CB 4.06Å; V166-K225 VanDerWaalsContact O-CA 3.31Å; V166-K225 WeakPolarHBondContact O-CA 3.33Å; V166-L226 PolarHBondContact N-O 3.23Å; V166-L226 PolarHBondContact O-N 2.85Å; V166-M228 HydrophobicContact CB-CE 4.39Å; V166-M228 HydrophobicContact CG2-CE 3.78Å
167	K	85.2	Confident	83.3	Confident	82 Å²	82	59 Å²	59	36%	0.357	27%	0.271	S	S	.	.			trans	-100.1	-30	179.1	-49.2	167.7	-171.6	163	0	112.3	K169 E197 D199 K225	K167-K169 PolarHBondContact O-N 3.47Å; K167-E197 PolarHBondContact NZ-O 3.3Å; K167-E197 IonicContact NZ-OE2 2.62Å; K167-E197 PolarHBondContact NZ-OE2 2.71Å; K167-D199 WeakPolarHBondContact CA-OD2 3.47Å; K167-D199 WeakPolarHBondContact CB-OD2 3.26Å; K167-D199 VanDerWaalsContact N-CG 3.33Å; K167-D199 PolarHBondContact N-OD1 3.39Å; K167-D199 PolarHBondContact N-OD2 2.87Å; K167-K225 HydrophobicContact CG-CG 4.38Å
168	N	84.4	Confident	83	Confident	59 Å²	59	60.1 Å²	60.1	32%	0.316	28%	0.276	S	S	.	.			trans	-69.3	118.7	-174	-177.8	-70.8	0	0	0	112.3	G170 L171 M172 D199 V200	N168-G170 PolarHBondContact O-N 2.92Å; N168-G170 PolarHBondContact OD1-N 2.82Å; N168-L171 HydrophobicContact CB-CB 4.23Å; N168-L171 PolarHBondContact O-N 2.87Å; N168-L171 PolarHBondContact OD1-N 3.39Å; N168-M172 VanDerWaalsContact O-CG 3.32Å; N168-M172 WeakPolarHBondContact O-CG 3.48Å; N168-M172 PolarHBondContact O-N 3.02Å; N168-D199 PolarHBondContact N-OD2 3Å; N168-V200 HydrophobicContact CB-CG2 3.72Å
169	K	80.6	Confident	82.9	Confident	143 Å²	143	60.3 Å²	60.3	62%	0.622	28%	0.277	S	S	*	.	H	α-helix	trans	-58.7	-39.3	-175.2	-67.2	-173.4	175.4	-174.8	0	114.1	K167 M172 E173	K167-K169 PolarHBondContact O-N 3.47Å; K169-M172 HydrophobicContact CB-CE 4.34Å; K169-M172 HydrophobicContact CG-CE 3.83Å; K169-M172 PolarHBondContact O-N 2.93Å; K169-E173 PolarHBondContact O-N 2.92Å
170	G	79.1	Confident	82.9	Confident	25 Å²	25	62.9 Å²	62.9	26%	0.258	29%	0.286	S	S	.	.	H	α-helix	trans	-68.1	-43.2	178.1	0	0	0	0	0	112.9	N168 E173 L174	N168-G170 PolarHBondContact O-N 2.92Å; N168-G170 PolarHBondContact OD1-N 2.82Å; G170-E173 PolarHBondContact O-N 3.37Å; G170-L174 WeakPolarHBondContact O-CB 3.48Å; G170-L174 PolarHBondContact O-N 2.83Å
171	L	81.4	Confident	82.9	Confident	5 Å²	5	63.6 Å²	63.6	3%	0.026	29%	0.291	C	S	.	.	H	α-helix	trans	-67.4	-38.9	174.4	-176.1	59	0	0	0	111.6	V166 N168 E173 L174 L175 D199 V200	V166-L171 HydrophobicContact CG1-CB 4.13Å; V166-L171 HydrophobicContact CG1-CD2 3.84Å; V166-L171 HydrophobicContact CG1-CG 3.99Å; N168-L171 HydrophobicContact CB-CB 4.23Å; N168-L171 PolarHBondContact O-N 2.87Å; N168-L171 PolarHBondContact OD1-N 3.39Å; L171-E173 PolarHBondContact O-N 3.31Å; L171-L174 PolarHBondContact O-N 3.5Å; L171-L175 HydrophobicContact CD1-CD1 4.1Å; L171-L175 HydrophobicContact CD1-CG 4.12Å; L171-L175 HydrophobicContact CG-CD1 3.99Å; L171-L175 HydrophobicContact CG-CG 4.41Å; L171-L175 WeakPolarHBondContact O-CB 3.44Å; L171-L175 VanDerWaalsContact O-CG 3.29Å; L171-L175 WeakPolarHBondContact O-CG 3.48Å; L171-L175 PolarHBondContact O-N 3.2Å; L171-D199 HydrophobicContact CD2-CB 4.23Å; L171-V200 HydrophobicContact CB-CG2 4.02Å; L171-V200 HydrophobicContact CD2-CG2 3.9Å
172	M	82.9	Confident	82.5	Confident	1 Å²	1	61 Å²	61	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-58.7	-45.5	172.9	-71.6	-164.4	-70	0	0	111.8	V166 N168 K169 L175 R176 K225 L226	V166-M172 HydrophobicContact CB-CG 4.32Å; V166-M172 HydrophobicContact CG1-CG 3.88Å; N168-M172 VanDerWaalsContact O-CG 3.32Å; N168-M172 WeakPolarHBondContact O-CG 3.48Å; N168-M172 PolarHBondContact O-N 3.02Å; K169-M172 HydrophobicContact CB-CE 4.34Å; K169-M172 HydrophobicContact CG-CE 3.83Å; K169-M172 PolarHBondContact O-N 2.93Å; M172-L175 PolarHBondContact O-N 3.04Å; M172-R176 WeakPolarHBondContact O-CB 3.43Å; M172-R176 WeakPolarHBondContact O-CG 3.39Å; M172-R176 PolarHBondContact O-N 2.88Å; M172-K225 VanDerWaalsContact SD-CA 3.58Å; M172-L226 HydrophobicContact CB-CB 4.39Å; M172-L226 HydrophobicContact CB-CD2 4.37Å; M172-L226 HydrophobicContact CG-CB 3.67Å; M172-L226 HydrophobicContact CG-CD2 4.41Å; M172-L226 HydrophobicContact SD-CB 3.68Å; M172-L226 PolarHBondContact SD-N 2.87Å
173	E	80.6	Confident	82.4	Confident	128 Å²	128	61.2 Å²	61.2	60%	0.598	29%	0.288	S	S	*	.	H	α-helix	trans	-67.5	-39.9	177.9	-177.2	158	-149.9	0	0	112.7	K169 G170 L171 L175 R176 R177	K169-E173 PolarHBondContact O-N 2.92Å; G170-E173 PolarHBondContact O-N 3.37Å; L171-E173 PolarHBondContact O-N 3.31Å; E173-L175 VanDerWaalsContact C-N 3.35Å; E173-L175 PolarHBondContact O-N 2.99Å; E173-R176 PolarHBondContact O-N 2.83Å; E173-R177 VanDerWaalsContact O-CB 3.26Å; E173-R177 WeakPolarHBondContact O-CB 3.23Å; E173-R177 PolarHBondContact O-N 2.82Å
174	L	82.9	Confident	82.3	Confident	36 Å²	36	56.9 Å²	56.9	19%	0.188	27%	0.266	C	S	.	.	H	α-helix	trans	-59.9	-44.9	173.8	-168.3	160.5	0	0	0	111.1	P147 G170 L171 R177 K178 I308 M310	P147-L174 HydrophobicContact CB-CD2 3.64Å; P147-L174 HydrophobicContact CG-CD2 4.2Å; G170-L174 WeakPolarHBondContact O-CB 3.48Å; G170-L174 PolarHBondContact O-N 2.83Å; L171-L174 PolarHBondContact O-N 3.5Å; L174-R177 CarbonylContact O-C 3.45Å; L174-R177 WeakPolarHBondContact O-CB 3.28Å; L174-R177 PolarHBondContact O-N 3.1Å; L174-K178 HydrophobicContact CD2-CG 3.96Å; L174-K178 WeakPolarHBondContact O-CB 3.32Å; L174-K178 PolarHBondContact O-N 2.9Å; L174-I308 HydrophobicContact CD1-CG2 3.69Å; L174-M310 HydrophobicContact CD1-SD 4.24Å; L174-M310 HydrophobicContact CD2-SD 4.46Å
175	L	83.6	Confident	82.3	Confident	1 Å²	1	56.8 Å²	56.8	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-70	-42.2	178.9	-67.3	174.8	0	0	0	112.1	P147 I149 V166 L171 M172 E173 R177 K178 V179 I216 L226 M228	P147-L175 HydrophobicContact CB-CD2 4.24Å; P147-L175 HydrophobicContact CG-CD2 3.84Å; I149-L175 HydrophobicContact CD1-CD1 3.9Å; I149-L175 HydrophobicContact CD1-CD2 4.46Å; I149-L175 HydrophobicContact CG1-CD1 4.37Å; V166-L175 HydrophobicContact CG2-CD1 4.39Å; L171-L175 HydrophobicContact CD1-CD1 4.1Å; L171-L175 HydrophobicContact CD1-CG 4.12Å; L171-L175 HydrophobicContact CG-CD1 3.99Å; L171-L175 HydrophobicContact CG-CG 4.41Å; L171-L175 WeakPolarHBondContact O-CB 3.44Å; L171-L175 VanDerWaalsContact O-CG 3.29Å; L171-L175 WeakPolarHBondContact O-CG 3.48Å; L171-L175 PolarHBondContact O-N 3.2Å; M172-L175 PolarHBondContact O-N 3.04Å; E173-L175 VanDerWaalsContact C-N 3.35Å; E173-L175 PolarHBondContact O-N 2.99Å; L175-R177 VanDerWaalsContact C-N 3.28Å; L175-R177 PolarHBondContact O-N 3.42Å; L175-K178 PolarHBondContact O-N 2.87Å; L175-K178 VanDerWaalsContact O-N 3.15Å; L175-V179 PolarHBondContact O-N 3.37Å; L175-I216 HydrophobicContact CD2-CD1 4.41Å; L175-L226 HydrophobicContact CB-CD2 4.11Å; L175-M228 HydrophobicContact CD1-CE 3.76Å; L175-M228 HydrophobicContact CD1-SD 4.32Å
176	R	83.6	Confident	82.4	Confident	58 Å²	58	53.7 Å²	53.7	22%	0.219	25%	0.251	C	S	.	.	H	α-helix	trans	-54.2	-44.3	168.3	-74	166.8	176.8	150.6	0.1	110.8	M172 E173 R180 M219 D221 L226	M172-R176 WeakPolarHBondContact O-CB 3.43Å; M172-R176 WeakPolarHBondContact O-CG 3.39Å; M172-R176 PolarHBondContact O-N 2.88Å; E173-R176 PolarHBondContact O-N 2.83Å; R176-R180 WeakPolarHBondContact O-CB 3.23Å; R176-R180 VanDerWaalsContact O-CG 3.23Å; R176-R180 WeakPolarHBondContact O-CG 3.41Å; R176-R180 PolarHBondContact O-N 3.4Å; R176-M219 HydrophobicContact CG-CE 4.31Å; R176-D221 IonicContact CZ-OD1 3.13Å; R176-D221 IonicContact CZ-OD2 3.23Å; R176-D221 IonicContact NE-OD2 2.87Å; R176-D221 PolarHBondContact NE-OD2 3.39Å; R176-D221 IonicContact NH2-OD1 2.72Å; R176-D221 PolarHBondContact NH2-OD1 3.03Å; R176-D221 IonicContact NH2-OD2 2.83Å; R176-D221 PolarHBondContact NH2-OD2 3.39Å; R176-L226 HydrophobicContact CG-CD2 4.45Å
177	R	80.1	Confident	82.5	Confident	180 Å²	180	53.7 Å²	53.7	68%	0.679	25%	0.251	S	S	*	.	H	α-helix	trans	-64.9	-41.6	176.6	-170.5	179.6	-177	-174.4	3	111.7	E173 L174 L175 R180 L181	E173-R177 VanDerWaalsContact O-CB 3.26Å; E173-R177 WeakPolarHBondContact O-CB 3.23Å; E173-R177 PolarHBondContact O-N 2.82Å; L174-R177 CarbonylContact O-C 3.45Å; L174-R177 WeakPolarHBondContact O-CB 3.28Å; L174-R177 PolarHBondContact O-N 3.1Å; L175-R177 VanDerWaalsContact C-N 3.28Å; L175-R177 PolarHBondContact O-N 3.42Å; R177-R180 CarbonylContact O-C 3.56Å; R177-R180 PolarHBondContact O-N 2.77Å; R177-L181 HydrophobicContact CG-CD1 4.08Å; R177-L181 WeakPolarHBondContact O-CB 3.4Å; R177-L181 WeakPolarHBondContact O-CD1 3.34Å; R177-L181 WeakPolarHBondContact O-CG 3.18Å; R177-L181 PolarHBondContact O-N 3.31Å
178	K	80.3	Confident	82.7	Confident	31 Å²	31	50 Å²	50	14%	0.135	24%	0.235	C	C	.	.	H	α-helix	trans	-66	-39.8	176.9	-84.1	-78.4	179.8	169.1	0	113.2	L174 L175 L181 A182 Q183	L174-K178 HydrophobicContact CD2-CG 3.96Å; L174-K178 WeakPolarHBondContact O-CB 3.32Å; L174-K178 PolarHBondContact O-N 2.9Å; L175-K178 PolarHBondContact O-N 2.87Å; L175-K178 VanDerWaalsContact O-N 3.15Å; K178-L181 WeakPolarHBondContact O-CB 3.45Å; K178-L181 PolarHBondContact O-N 2.96Å; K178-A182 PolarHBondContact O-N 3.31Å; K178-Q183 HydrophobicContact CD-CB 4Å; K178-Q183 CarbonylContact O-C 3.54Å; K178-Q183 PolarHBondContact O-N 2.9Å
179	V	81.1	Confident	83	Confident	21 Å²	21	47.2 Å²	47.2	13%	0.127	22%	0.22	C	C	.	.	H	α-helix	trans	-65.7	-47.1	171.5	171.2	0	0	0	0	110.8	L134 L175 L181 A182 P184 I216 M219	L134-V179 HydrophobicContact CD1-CG1 3.79Å; L134-V179 HydrophobicContact CD1-CG2 4.2Å; L134-V179 HydrophobicContact CD2-CG1 3.74Å; L134-V179 HydrophobicContact CG-CG1 4.4Å; L175-V179 PolarHBondContact O-N 3.37Å; V179-L181 PolarHBondContact O-N 3.49Å; V179-L181 VanDerWaalsContact O-N 3.13Å; V179-A182 PolarHBondContact O-N 3.08Å; V179-P184 HydrophobicContact CG2-CB 4.44Å; V179-I216 HydrophobicContact CG2-CD1 4.49Å; V179-M219 HydrophobicContact CB-CE 4.49Å; V179-M219 HydrophobicContact CB-SD 4.28Å; V179-M219 HydrophobicContact CG1-CE 4.35Å; V179-M219 HydrophobicContact CG2-SD 3.84Å
180	R	80.1	Confident	83.4	Confident	183 Å²	183	40.6 Å²	40.6	69%	0.691	19%	0.191	S	C	*	.	H	α-helix	trans	-59.9	-20.4	171.2	-71	171.6	-178.1	173.8	1	113.6	R176 R177 A182 R269	R176-R180 WeakPolarHBondContact O-CB 3.23Å; R176-R180 VanDerWaalsContact O-CG 3.23Å; R176-R180 WeakPolarHBondContact O-CG 3.41Å; R176-R180 PolarHBondContact O-N 3.4Å; R177-R180 CarbonylContact O-C 3.56Å; R177-R180 PolarHBondContact O-N 2.77Å; R180-A182 VanDerWaalsContact C-N 3.35Å; R180-R269 VanDerWaalsContact O-CZ 3.3Å; R180-R269 PolarHBondContact O-NH1 3.09Å; R180-R269 PolarHBondContact O-NH2 3.41Å
181	L	79.4	Confident	83.7	Confident	43 Å²	43	39.6 Å²	39.6	23%	0.225	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-0.1	174.8	-80	162.1	0	0	0	113.5	R177 K178 V179 Q183 R269	R177-L181 HydrophobicContact CG-CD1 4.08Å; R177-L181 WeakPolarHBondContact O-CB 3.4Å; R177-L181 WeakPolarHBondContact O-CD1 3.34Å; R177-L181 WeakPolarHBondContact O-CG 3.18Å; R177-L181 PolarHBondContact O-N 3.31Å; K178-L181 WeakPolarHBondContact O-CB 3.45Å; K178-L181 PolarHBondContact O-N 2.96Å; V179-L181 PolarHBondContact O-N 3.49Å; V179-L181 VanDerWaalsContact O-N 3.13Å; L181-Q183 HydrophobicContact CB-CG 4.48Å; L181-Q183 PolarHBondContact O-N 3.43Å; L181-R269 HydrophobicContact CD2-CG 3.83Å
182	A	77.3	Confident	83.8	Confident	53 Å²	53	44 Å²	44	44%	0.438	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	32.9	-168.9	0	0	0	0	0	113	M137 K178 V179 R180 P184	M137-A182 HydrophobicContact CE-CB 4.15Å; M137-A182 HydrophobicContact SD-CB 4.12Å; K178-A182 PolarHBondContact O-N 3.31Å; V179-A182 PolarHBondContact O-N 3.08Å; R180-A182 VanDerWaalsContact C-N 3.35Å; A182-P184 WeakPolarHBondContact O-CD 3.46Å
183	Q	80.7	Confident	83.7	Confident	61 Å²	61	48.9 Å²	48.9	29%	0.285	23%	0.225	S	C	.	.			trans	-122.1	67.8	174.3	-65.9	-176.2	-4.8	0	0	110.2	K178 L181 Y185	K178-Q183 HydrophobicContact CD-CB 4Å; K178-Q183 CarbonylContact O-C 3.54Å; K178-Q183 PolarHBondContact O-N 2.9Å; L181-Q183 HydrophobicContact CB-CG 4.48Å; L181-Q183 PolarHBondContact O-N 3.43Å; Q183-Y185 PolarHBondContact O-N 3.33Å
184	P	85.3	Confident	83.4	Confident	6 Å²	6	44.9 Å²	44.9	4%	0.039	21%	0.208	C	C	.	.			trans	-78.2	54.8	-176.9	36.4	-38.4	0	0	0	111.8	L134 V179 A182 Q215 I216	L134-P184 HydrophobicContact CD1-CB 3.92Å; V179-P184 HydrophobicContact CG2-CB 4.44Å; A182-P184 WeakPolarHBondContact O-CD 3.46Å; P184-Q215 CarbonylContact O-C 3.43Å; P184-Q215 WeakPolarHBondContact O-CA 3.37Å; P184-I216 HydrophobicContact CB-CB 4.11Å; P184-I216 PolarHBondContact O-N 2.98Å
185	Y	88.1	Confident	83	Confident	11 Å²	11	50.6 Å²	50.6	4%	0.043	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	135.7	-174.9	-59	-60.3	0	0	0	111.6	V139 F143 P147 Q183 F213 V214 Q215	V139-Y185 HydrophobicContact CG1-CE1 4.1Å; V139-Y185 HydrophobicContact CG2-CE1 4.21Å; F143-Y185 HydrophobicContact CE2-CD2 4.38Å; F143-Y185 HydrophobicContact CZ-CD2 4.38Å; P147-Y185 WeakPolarHBondContact CD-O 3.38Å; P147-Y185 WeakPolarHBondContact CG-O 3.21Å; Q183-Y185 PolarHBondContact O-N 3.33Å; Y185-F213 AromaticContact CD1-CE1 3.63Å; Y185-F213 HydrophobicContact CD1-CE1 3.63Å; Y185-F213 AromaticContact CD1-CZ 3.61Å; Y185-F213 HydrophobicContact CD1-CZ 3.61Å; Y185-F213 HydrophobicContact CD2-CZ 4.47Å; Y185-F213 HydrophobicContact CE1-CE1 4.18Å; Y185-F213 HydrophobicContact CE1-CZ 4.36Å; Y185-F213 HydrophobicContact CG-CE1 4.21Å; Y185-F213 AromaticContact CG-CZ 3.69Å; Y185-F213 HydrophobicContact CG-CZ 3.69Å; Y185-V214 WeakPolarHBondContact CA-O 3.38Å; Y185-Q215 HydrophobicContact CD1-CB 4.16Å; Y185-Q215 HydrophobicContact CD1-CG 4.31Å; Y185-Q215 HydrophobicContact CE1-CB 4.09Å; Y185-Q215 HydrophobicContact CE1-CG 3.93Å
186	A	87.8	Confident	82.6	Confident	1 Å²	1	54.1 Å²	54.1	1%	0.008	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	157.2	178.2	0	0	0	0	0	111.5	P147 I149 V214	P147-A186 HydrophobicContact CG-CB 4.06Å; I149-A186 HydrophobicContact CD1-CB 3.67Å; I149-A186 HydrophobicContact CG1-CB 4.19Å; A186-V214 PolarHBondContact N-O 3.41Å; A186-V214 PolarHBondContact O-N 3.13Å
187	G	88.5	Confident	81.8	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	119	168	0	0	0	0	0	109.7	P147 I149	P147-G187 PolarHBondContact O-N 2.62Å; I149-G187 PolarHBondContact N-O 3.15Å
188	V	90.1	Very high	81.6	Confident	4 Å²	4	52 Å²	52	2%	0.024	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	120.1	176.4	178.3	0	0	0	0	109.2	I149 V151 V156 I164 G211 T212 V214	I149-V188 HydrophobicContact CB-CG2 4.3Å; I149-V188 WeakPolarHBondContact O-CA 3.48Å; V151-V188 HydrophobicContact CB-CG1 4.17Å; V151-V188 HydrophobicContact CG2-CG1 3.61Å; V156-V188 HydrophobicContact CB-CG1 4.41Å; V156-V188 HydrophobicContact CG2-CB 4.36Å; V156-V188 HydrophobicContact CG2-CG1 3.77Å; I164-V188 HydrophobicContact CD1-CG1 4.21Å; I164-V188 HydrophobicContact CD1-CG2 3.85Å; V188-G211 WeakPolarHBondContact O-CA 3.41Å; V188-T212 PolarHBondContact N-O 3.02Å; V188-T212 PolarHBondContact O-N 3.35Å; V188-V214 HydrophobicContact CB-CG2 3.95Å; V188-V214 HydrophobicContact CG2-CB 4.01Å; V188-V214 HydrophobicContact CG2-CG1 4.29Å; V188-V214 HydrophobicContact CG2-CG2 3.65Å
189	F	89.8	Confident	81	Confident	1 Å²	1	51.4 Å²	51.4	0%	0.004	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	145.4	-176.9	-66.3	-86.3	0	0	0	110.6	L148 I149 V151 I236 I238 V313	L148-F189 HydrophobicContact CD1-CB 4.47Å; L148-F189 HydrophobicContact CD1-CD2 3.63Å; L148-F189 HydrophobicContact CD1-CE2 4.17Å; L148-F189 HydrophobicContact CD1-CG 4.23Å; L148-F189 HydrophobicContact CG-CD2 3.94Å; I149-F189 PolarHBondContact O-N 3.39Å; V151-F189 PolarHBondContact N-O 3.23Å; F189-I236 HydrophobicContact CE1-CD1 4.47Å; F189-I236 HydrophobicContact CE1-CG1 4.27Å; F189-I236 HydrophobicContact CE2-CD1 4.06Å; F189-I236 HydrophobicContact CZ-CD1 3.61Å; F189-I236 HydrophobicContact CZ-CG1 3.86Å; F189-I238 HydrophobicContact CD1-CD1 3.9Å; F189-I238 HydrophobicContact CD1-CG1 4.01Å; F189-I238 HydrophobicContact CD2-CD1 4.27Å; F189-I238 HydrophobicContact CE1-CD1 3.88Å; F189-I238 HydrophobicContact CE1-CG1 3.46Å; F189-I238 VanDerWaalsContact CE1-CG1 3.46Å; F189-I238 HydrophobicContact CE2-CD1 4.22Å; F189-I238 HydrophobicContact CE2-CG1 4.09Å; F189-I238 HydrophobicContact CG-CD1 4.1Å; F189-I238 HydrophobicContact CZ-CD1 4.03Å; F189-I238 HydrophobicContact CZ-CG1 3.49Å; F189-I238 VanDerWaalsContact CZ-CG1 3.49Å; F189-V313 HydrophobicContact CE2-CG1 4.36Å; F189-V313 HydrophobicContact CZ-CG1 3.95Å
190	M	88.2	Confident	80.7	Confident	3 Å²	3	51.4 Å²	51.4	2%	0.015	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	141.3	179.1	-157.2	-179.5	74.4	0	0	111	V151 P155 I207 Y208 S381 Q385	V151-M190 VanDerWaalsContact O-CA 3.31Å; V151-M190 WeakPolarHBondContact O-CA 3.3Å; V151-M190 WeakPolarHBondContact O-CG 3.22Å; P155-M190 HydrophobicContact CB-SD 4.43Å; P155-M190 HydrophobicContact CG-SD 4.38Å; M190-I207 WeakPolarHBondContact O-CA 3.49Å; M190-I207 WeakPolarHBondContact O-CB 3.46Å; M190-Y208 HydrophobicContact CB-CD2 4.2Å; M190-Y208 HydrophobicContact CE-CD2 3.66Å; M190-Y208 HydrophobicContact CE-CE2 3.35Å; M190-Y208 PolarHBondContact O-N 3.18Å; M190-S381 WeakPolarHBondContact CE-O 3.42Å; M190-Q385 HydrophobicContact CE-CB 3.7Å; M190-Q385 HydrophobicContact CE-CG 4.13Å; M190-Q385 HydrophobicContact SD-CB 4.45Å
191	K	86.4	Confident	80.3	Confident	4 Å²	4	43 Å²	43	2%	0.017	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-75	156.8	168.2	-67.1	-168.4	179.1	-174.1	0	111.7	A150 V151 N196 S198 I207 Y208	A150-K191 HydrophobicContact CB-CG 4.08Å; V151-K191 PolarHBondContact O-N 2.63Å; K191-N196 HydrophobicContact CD-CB 4.38Å; K191-N196 PolarHBondContact NZ-ND2 2.63Å; K191-N196 PolarHBondContact NZ-O 2.72Å; K191-N196 PolarHBondContact NZ-OD1 2.76Å; K191-S198 WeakPolarHBondContact CE-O 3.41Å; K191-S198 PolarHBondContact NZ-O 2.65Å; K191-S198 PolarHBondContact NZ-OG 2.69Å; K191-I207 HydrophobicContact CG-CG2 4.33Å; K191-Y208 WeakPolarHBondContact O-CE2 3.41Å
192	K	83.9	Confident	79.8	Confident	97 Å²	97	48.3 Å²	48.3	42%	0.422	25%	0.253	S	S	.	.	S	Bend	trans	-80.7	-38.9	164.5	-66.8	171.8	-175.2	161.1	0	111.7	D205 S206 I207 Y208	K192-D205 WeakPolarHBondContact CD-O 3.2Å; K192-D205 WeakPolarHBondContact CE-O 3.41Å; K192-D205 PolarHBondContact NZ-O 2.88Å; K192-S206 PolarHBondContact N-O 3.36Å; K192-I207 WeakPolarHBondContact CE-O 3.32Å; K192-I207 PolarHBondContact NZ-O 3.42Å; K192-Y208 HydrophobicContact CB-CE2 4.33Å; K192-Y208 HydrophobicContact CG-CD2 3.95Å; K192-Y208 HydrophobicContact CG-CE2 3.61Å
193	D	80.3	Confident	79.7	Confident	104 Å²	104	48.5 Å²	48.5	56%	0.556	25%	0.251	S	S	*	.			trans	-94.1	99	-179.3	-68	-52.1	0	0	0	113	N195 N196	D193-N195 PolarHBondContact O-N 3.36Å; D193-N195 VanDerWaalsContact O-N 3.11Å; D193-N196 PolarHBondContact O-N 3.43Å
194	D	74.6	Confident	79.4	Confident	45 Å²	45	48.1 Å²	48.1	24%	0.241	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-7.5	179.2	-87.3	-34.7	0	0	0	115.3	R153 S381	R153-D194 VanDerWaalsContact CA-OD1 3.27Å; R153-D194 WeakPolarHBondContact CA-OD1 3.42Å; R153-D194 HydrophobicContact CG-CB 4.28Å; R153-D194 WeakPolarHBondContact CG-OD1 3.32Å; R153-D194 PolarHBondContact N-OD1 3.21Å; D194-S381 WeakPolarHBondContact OD2-CB 3.36Å; D194-S381 PolarHBondContact OD2-OG 3.49Å
195	N	74.1	Confident	79	Confident	155 Å²	155	54.1 Å²	54.1	83%	0.829	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-17.5	175.1	-70.7	-30.2	0	0	0	113.4	D193 E197	D193-N195 PolarHBondContact O-N 3.36Å; D193-N195 VanDerWaalsContact O-N 3.11Å; N195-E197 PolarHBondContact O-N 3.35Å
196	N	76.2	Confident	78.6	Confident	76 Å²	76	54.9 Å²	54.9	41%	0.406	29%	0.29	S	S	.	.			trans	-87.9	106.4	-175.1	-177.4	-7.1	0	0	0	111.4	K191 D193 S198	K191-N196 HydrophobicContact CD-CB 4.38Å; K191-N196 PolarHBondContact NZ-ND2 2.63Å; K191-N196 PolarHBondContact NZ-O 2.72Å; K191-N196 PolarHBondContact NZ-OD1 2.76Å; D193-N196 PolarHBondContact O-N 3.43Å; N196-S198 VanDerWaalsContact C-N 3.34Å; N196-S198 PolarHBondContact O-N 2.6Å; N196-S198 WeakPolarHBondContact OD1-CB 3.48Å; N196-S198 PolarHBondContact OD1-N 2.88Å; N196-S198 VanDerWaalsContact OD1-N 3.09Å; N196-S198 PolarHBondContact OD1-OG 3.44Å
197	E	65.8	Low	78.4	Confident	148 Å²	148	55.1 Å²	55.1	69%	0.692	29%	0.291	S	S	*	.			trans	-81.1	7.9	-177.7	-89	-153.7	-143.2	0	0	116.5	K167 N195	K167-E197 PolarHBondContact NZ-O 3.3Å; K167-E197 IonicContact NZ-OE2 2.62Å; K167-E197 PolarHBondContact NZ-OE2 2.71Å; N195-E197 PolarHBondContact O-N 3.35Å
198	S	74.9	Confident	78.3	Confident	45 Å²	45	57.4 Å²	57.4	32%	0.315	30%	0.3	S	S	.	.			trans	-72.9	142.2	172.7	70.1	0	0	0	0	112.4	K191 N196 V200	K191-S198 WeakPolarHBondContact CE-O 3.41Å; K191-S198 PolarHBondContact NZ-O 2.65Å; K191-S198 PolarHBondContact NZ-OG 2.69Å; N196-S198 VanDerWaalsContact C-N 3.34Å; N196-S198 PolarHBondContact O-N 2.6Å; N196-S198 WeakPolarHBondContact OD1-CB 3.48Å; N196-S198 PolarHBondContact OD1-N 2.88Å; N196-S198 VanDerWaalsContact OD1-N 3.09Å; N196-S198 PolarHBondContact OD1-OG 3.44Å; S198-V200 WeakPolarHBondContact CB-O 3.47Å; S198-V200 PolarHBondContact O-N 2.64Å; S198-V200 PolarHBondContact OG-O 2.82Å
199	D	69.6	Low	78.1	Confident	19 Å²	19	60 Å²	60	10%	0.102	32%	0.318	C	S	.	.	S	Bend	trans	-80.4	-10.1	171.8	-25.7	-78.1	0	0	0	112.4	A150 V166 K167 N168 L171	A150-D199 PolarHBondContact N-O 2.88Å; V166-D199 HydrophobicContact CG1-CB 4.06Å; K167-D199 WeakPolarHBondContact CA-OD2 3.47Å; K167-D199 WeakPolarHBondContact CB-OD2 3.26Å; K167-D199 VanDerWaalsContact N-CG 3.33Å; K167-D199 PolarHBondContact N-OD1 3.39Å; K167-D199 PolarHBondContact N-OD2 2.87Å; N168-D199 PolarHBondContact N-OD2 3Å; L171-D199 HydrophobicContact CD2-CB 4.23Å
200	V	73.9	Confident	78	Confident	21 Å²	21	60 Å²	60	13%	0.127	32%	0.318	C	S	.	.	S	Bend	trans	-119.7	149.9	-170.6	174.2	0	0	0	0	109.7	N168 L171 S198 N307	N168-V200 HydrophobicContact CB-CG2 3.72Å; L171-V200 HydrophobicContact CB-CG2 4.02Å; L171-V200 HydrophobicContact CD2-CG2 3.9Å; S198-V200 WeakPolarHBondContact CB-O 3.47Å; S198-V200 PolarHBondContact O-N 2.64Å; S198-V200 PolarHBondContact OG-O 2.82Å; V200-N307 WeakPolarHBondContact CG1-O 3.42Å
201	V	72.2	Confident	78	Confident	5 Å²	5	59.9 Å²	59.9	3%	0.03	32%	0.318	C	S	.	.			trans	-124.6	140.7	-171.3	157.9	0	0	0	0	109.8	L148 A150 S203 S206 I207 L309	L148-V201 HydrophobicContact CD2-CB 4.49Å; A150-V201 HydrophobicContact CB-CG2 3.52Å; V201-S203 WeakPolarHBondContact CG1-O 3.37Å; V201-S206 VanDerWaalsContact CG1-OG 3.23Å; V201-S206 WeakPolarHBondContact CG1-OG 3.31Å; V201-I207 HydrophobicContact CG1-CG2 4.39Å; V201-I207 HydrophobicContact CG2-CG2 3.76Å; V201-L309 HydrophobicContact CB-CD1 4.37Å; V201-L309 HydrophobicContact CG1-CD1 4.09Å; V201-L309 VanDerWaalsContact O-CD1 3.26Å; V201-L309 WeakPolarHBondContact O-CD1 3.44Å; V201-L309 WeakPolarHBondContact O-CG 3.38Å
202	E	68.9	Low	78.2	Confident	155 Å²	155	59.8 Å²	59.8	72%	0.724	32%	0.318	S	S	*	.	S	Bend	trans	-95.7	-24.4	-177.2	-61.5	178.2	158.9	0	0	112.6	N307	E202-N307 PolarHBondContact OE1-ND2 3.27Å
203	S	74.3	Confident	78.5	Confident	57 Å²	57	55.1 Å²	55.1	40%	0.399	30%	0.298	S	S	.	.			trans	-145.9	140.5	176.9	64.4	0	0	0	0	112.4	V201 D205 S206	V201-S203 WeakPolarHBondContact CG1-O 3.37Å; S203-D205 PolarHBondContact O-N 2.88Å; S203-D205 VanDerWaalsContact O-N 3.15Å; S203-S206 PolarHBondContact O-N 3.43Å; S203-S206 VanDerWaalsContact O-N 3.16Å; S203-S206 PolarHBondContact O-OG 2.96Å
204	L	75	Confident	78.9	Confident	53 Å²	53	50.2 Å²	50.2	28%	0.277	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-59.8	-24.7	-179.7	-66.2	-176.8	0	0	0	113.4	S206 I207 I238 Q241 L309	L204-S206 PolarHBondContact O-N 3.11Å; L204-I207 HydrophobicContact CD2-CD1 4.15Å; L204-I207 WeakPolarHBondContact O-CG1 3.39Å; L204-I207 PolarHBondContact O-N 3.01Å; L204-I238 HydrophobicContact CD1-CG2 4.23Å; L204-I238 HydrophobicContact CD2-CD1 4.44Å; L204-I238 HydrophobicContact CD2-CG2 4.44Å; L204-Q241 HydrophobicContact CD1-CB 4.09Å; L204-L309 HydrophobicContact CD2-CD1 4.43Å
205	D	75.9	Confident	79.6	Confident	132 Å²	132	48.7 Å²	48.7	71%	0.706	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-66.4	-20.4	179.2	-65.6	-49.4	0	0	0	113.5	K192 S203 I207	K192-D205 WeakPolarHBondContact CD-O 3.2Å; K192-D205 WeakPolarHBondContact CE-O 3.41Å; K192-D205 PolarHBondContact NZ-O 2.88Å; S203-D205 PolarHBondContact O-N 2.88Å; S203-D205 VanDerWaalsContact O-N 3.15Å; D205-I207 VanDerWaalsContact C-N 3.3Å; D205-I207 PolarHBondContact O-N 3.37Å
206	S	79.7	Confident	80.2	Confident	28 Å²	28	41.4 Å²	41.4	20%	0.196	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-79.3	-7.2	179.6	67.8	0	0	0	0	114.8	K192 V201 S203 L204	K192-S206 PolarHBondContact N-O 3.36Å; V201-S206 VanDerWaalsContact CG1-OG 3.23Å; V201-S206 WeakPolarHBondContact CG1-OG 3.31Å; S203-S206 PolarHBondContact O-N 3.43Å; S203-S206 VanDerWaalsContact O-N 3.16Å; S203-S206 PolarHBondContact O-OG 2.96Å; L204-S206 PolarHBondContact O-N 3.11Å
207	I	84.9	Confident	80.5	Confident	5 Å²	5	40.6 Å²	40.6	3%	0.026	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-119.1	163.7	-179.1	52.8	172.3	0	0	0	112	L148 M190 K191 K192 V201 L204 D205 I238	L148-I207 HydrophobicContact CD1-CD1 3.54Å; M190-I207 WeakPolarHBondContact O-CA 3.49Å; M190-I207 WeakPolarHBondContact O-CB 3.46Å; K191-I207 HydrophobicContact CG-CG2 4.33Å; K192-I207 WeakPolarHBondContact CE-O 3.32Å; K192-I207 PolarHBondContact NZ-O 3.42Å; V201-I207 HydrophobicContact CG1-CG2 4.39Å; V201-I207 HydrophobicContact CG2-CG2 3.76Å; L204-I207 HydrophobicContact CD2-CD1 4.15Å; L204-I207 WeakPolarHBondContact O-CG1 3.39Å; L204-I207 PolarHBondContact O-N 3.01Å; D205-I207 VanDerWaalsContact C-N 3.3Å; D205-I207 PolarHBondContact O-N 3.37Å; I207-I238 HydrophobicContact CD1-CD1 3.47Å; I207-I238 VanDerWaalsContact CD1-CD1 3.47Å; I207-I238 HydrophobicContact CG1-CD1 4.49Å
208	Y	85.9	Confident	81.3	Confident	48 Å²	48	36.6 Å²	36.6	19%	0.188	20%	0.199	C	C	.	.			trans	-79.3	139.2	167.9	-72.3	-92.4	0	0	0	110.5	M190 K191 K192 T210 Q385	M190-Y208 HydrophobicContact CB-CD2 4.2Å; M190-Y208 HydrophobicContact CE-CD2 3.66Å; M190-Y208 HydrophobicContact CE-CE2 3.35Å; M190-Y208 PolarHBondContact O-N 3.18Å; K191-Y208 WeakPolarHBondContact O-CE2 3.41Å; K192-Y208 HydrophobicContact CB-CE2 4.33Å; K192-Y208 HydrophobicContact CG-CD2 3.95Å; K192-Y208 HydrophobicContact CG-CE2 3.61Å; Y208-T210 PolarHBondContact O-N 3.36Å; Y208-Q385 VanDerWaalsContact CB-NE2 3.35Å; Y208-Q385 HydrophobicContact CD1-CG 3.58Å; Y208-Q385 HydrophobicContact CD2-CG 4.22Å; Y208-Q385 HydrophobicContact CE1-CG 3.89Å; Y208-Q385 HydrophobicContact CE2-CG 4.49Å; Y208-Q385 HydrophobicContact CG-CG 3.76Å
209	S	85	Confident	81.8	Confident	58 Å²	58	35.3 Å²	35.3	41%	0.406	19%	0.188	S	C	.	.	S	Bend	trans	-70.6	-21.9	-175.7	63.2	0	0	0	0	113.1	R237 I238	S209-R237 CarbonylContact O-C 3.53Å; S209-R237 VanDerWaalsContact O-CA 3.26Å; S209-R237 WeakPolarHBondContact O-CA 3.49Å; S209-I238 PolarHBondContact O-N 2.99Å
210	T	87.9	Confident	82.5	Confident	1 Å²	1	37 Å²	37	1%	0.006	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	133	177	-53.6	0	0	0	0	110.1	Y208 I236 V316 Q385 E389	Y208-T210 PolarHBondContact O-N 3.36Å; T210-I236 CarbonylContact C-O 3.54Å; T210-I236 WeakPolarHBondContact CA-O 3.35Å; T210-V316 HydrophobicContact CG2-CG2 4.27Å; T210-Q385 PolarHBondContact O-NE2 3.34Å; T210-E389 HydrophobicContact CG2-CG 4.29Å
211	G	89.1	Confident	82.9	Confident	2 Å²	2	38.3 Å²	38.3	2%	0.021	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	-156	177.2	0	0	0	0	0	110.6	V188 R235 I236	V188-G211 WeakPolarHBondContact O-CA 3.41Å; G211-R235 CarbonylContact O-C 3.6Å; G211-R235 WeakPolarHBondContact O-CA 3.23Å; G211-I236 PolarHBondContact N-O 3Å; G211-I236 PolarHBondContact O-N 3.48Å
212	T	89.9	Confident	83.4	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.006	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	137.4	-176.1	-68	0	0	0	0	111.1	V156 V188 V214 R234	V156-T212 HydrophobicContact CG1-CG2 4.25Å; V156-T212 WeakPolarHBondContact O-CB 3.18Å; V156-T212 PolarHBondContact O-OG1 3.44Å; V188-T212 PolarHBondContact N-O 3.02Å; V188-T212 PolarHBondContact O-N 3.35Å; T212-V214 HydrophobicContact CG2-CG2 3.89Å; T212-R234 WeakPolarHBondContact CA-O 3.36Å
213	F	89.8	Confident	83.7	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	125.6	169	-177.7	-87.2	0	0	0	108.5	V139 F143 V146 Y185 H233 R234 I236	V139-F213 HydrophobicContact CG1-CD1 4.44Å; V139-F213 HydrophobicContact CG1-CE1 3.73Å; F143-F213 HydrophobicContact CB-CE2 3.9Å; F143-F213 HydrophobicContact CB-CZ 4.13Å; F143-F213 AromaticContact CD1-CE2 3.92Å; F143-F213 HydrophobicContact CD1-CE2 3.92Å; F143-F213 HydrophobicContact CD1-CZ 4.34Å; F143-F213 HydrophobicContact CG-CE2 4.21Å; F143-F213 HydrophobicContact CG-CZ 4.36Å; V146-F213 HydrophobicContact CG1-CD2 4.04Å; V146-F213 HydrophobicContact CG1-CE2 3.78Å; Y185-F213 AromaticContact CD1-CE1 3.63Å; Y185-F213 HydrophobicContact CD1-CE1 3.63Å; Y185-F213 AromaticContact CD1-CZ 3.61Å; Y185-F213 HydrophobicContact CD1-CZ 3.61Å; Y185-F213 HydrophobicContact CD2-CZ 4.47Å; Y185-F213 HydrophobicContact CE1-CE1 4.18Å; Y185-F213 HydrophobicContact CE1-CZ 4.36Å; Y185-F213 HydrophobicContact CG-CE1 4.21Å; Y185-F213 AromaticContact CG-CZ 3.69Å; Y185-F213 HydrophobicContact CG-CZ 3.69Å; F213-H233 HydrophobicContact CD1-CB 4.37Å; F213-H233 PolarHBondContact O-N 3.28Å; F213-R234 HydrophobicContact CB-CG 3.89Å; F213-R234 PolarHBondContact N-O 3.41Å; F213-I236 HydrophobicContact CB-CD1 4.06Å; F213-I236 HydrophobicContact CB-CG1 4.37Å; F213-I236 HydrophobicContact CB-CG2 3.77Å
214	V	89.5	Confident	83.9	Confident	1 Å²	1	40 Å²	40	1%	0.006	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	136.5	-165.4	173.7	0	0	0	0	110.5	V156 Y185 A186 V188 T212 V230 M231	V156-V214 HydrophobicContact CG1-CG2 4.07Å; Y185-V214 WeakPolarHBondContact CA-O 3.38Å; A186-V214 PolarHBondContact N-O 3.41Å; A186-V214 PolarHBondContact O-N 3.13Å; V188-V214 HydrophobicContact CB-CG2 3.95Å; V188-V214 HydrophobicContact CG2-CB 4.01Å; V188-V214 HydrophobicContact CG2-CG1 4.29Å; V188-V214 HydrophobicContact CG2-CG2 3.65Å; T212-V214 HydrophobicContact CG2-CG2 3.89Å; V214-V230 HydrophobicContact CG1-CB 3.36Å; V214-V230 HydrophobicContact CG1-CG1 4.42Å; V214-V230 HydrophobicContact CG1-CG2 3.46Å; V214-V230 VanDerWaalsContact CG1-CG2 3.46Å; V214-M231 CarbonylContact C-O 3.57Å; V214-M231 WeakPolarHBondContact CA-O 3.28Å
215	Q	88.3	Confident	84.4	Confident	12 Å²	12	41.1 Å²	41.1	6%	0.056	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	129.8	171.4	-178.9	173	13.2	0	0	110	V139 P184 Y185 H217 V230 M231 H233	V139-Q215 VanDerWaalsContact CG2-OE1 3.27Å; P184-Q215 CarbonylContact O-C 3.43Å; P184-Q215 WeakPolarHBondContact O-CA 3.37Å; Y185-Q215 HydrophobicContact CD1-CB 4.16Å; Y185-Q215 HydrophobicContact CD1-CG 4.31Å; Y185-Q215 HydrophobicContact CE1-CB 4.09Å; Y185-Q215 HydrophobicContact CE1-CG 3.93Å; Q215-H217 PolarHBondContact O-N 3.31Å; Q215-V230 CarbonylContact O-C 3.54Å; Q215-V230 VanDerWaalsContact O-CA 3.31Å; Q215-V230 WeakPolarHBondContact O-CA 3.36Å; Q215-M231 PolarHBondContact N-O 2.92Å; Q215-M231 PolarHBondContact O-N 3.32Å; Q215-H233 PolarHBondContact OE1-NE2 3.03Å
216	I	87.5	Confident	84.8	Confident	3 Å²	3	34.9 Å²	34.9	2%	0.015	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	115	171.2	-57.9	168.5	0	0	0	107.3	L134 L175 V179 P184 M219 M228 V230	L134-I216 HydrophobicContact CD1-CG2 4.5Å; L175-I216 HydrophobicContact CD2-CD1 4.41Å; V179-I216 HydrophobicContact CG2-CD1 4.49Å; P184-I216 HydrophobicContact CB-CB 4.11Å; P184-I216 PolarHBondContact O-N 2.98Å; I216-M219 HydrophobicContact CG2-CB 4.35Å; I216-M228 HydrophobicContact CD1-SD 4.25Å; I216-M228 HydrophobicContact CG1-SD 4.48Å; I216-M228 HydrophobicContact CG2-CB 4.2Å; I216-V230 HydrophobicContact CG1-CG1 4.06Å
217	H	82.9	Confident	85.2	Confident	59 Å²	59	38.1 Å²	38.1	27%	0.273	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	-41.1	176.8	-85	-102.4	0	0	0	111.8	L134 Q215 I229 M231	L134-H217 PolarHBondContact N-O 3.45Å; Q215-H217 PolarHBondContact O-N 3.31Å; H217-I229 PolarHBondContact N-O 3.34Å; H217-M231 VanDerWaalsContact CD2-CB 3.48Å; H217-M231 WeakPolarHBondContact CD2-CB 3.43Å; H217-M231 WeakPolarHBondContact NE2-CB 3.49Å
218	E	83.3	Confident	85.3	Confident	64 Å²	64	37.9 Å²	37.9	30%	0.299	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	143.3	-178.2	-161.3	-176.7	148.9	0	0	109.8	M131 M228 I229	M131-E218 WeakPolarHBondContact CE-OE1 3.37Å; E218-M228 CarbonylContact O-C 3.58Å; E218-M228 WeakPolarHBondContact O-CA 3.22Å; E218-I229 HydrophobicContact CB-CB 4.05Å; E218-I229 HydrophobicContact CB-CD1 4.29Å; E218-I229 HydrophobicContact CB-CG1 4.24Å; E218-I229 PolarHBondContact N-O 2.98Å; E218-I229 PolarHBondContact O-N 3.46Å
219	M	83.4	Confident	85.4	Confident	17 Å²	17	38.2 Å²	38.2	8%	0.084	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	121.4	179.2	-168.6	-175.2	78.1	0	0	108.8	T132 R176 V179 I216 L226	T132-M219 PolarHBondContact OG1-O 3.31Å; R176-M219 HydrophobicContact CG-CE 4.31Å; V179-M219 HydrophobicContact CB-CE 4.49Å; V179-M219 HydrophobicContact CB-SD 4.28Å; V179-M219 HydrophobicContact CG1-CE 4.35Å; V179-M219 HydrophobicContact CG2-SD 3.84Å; I216-M219 HydrophobicContact CG2-CB 4.35Å; M219-L226 HydrophobicContact CE-CD1 4.22Å; M219-L226 HydrophobicContact CG-CD1 3.62Å; M219-L226 HydrophobicContact CG-CD2 4.26Å; M219-L226 HydrophobicContact CG-CG 3.95Å; M219-L226 HydrophobicContact SD-CD1 3.85Å; M219-L226 HydrophobicContact SD-CD2 3.88Å; M219-L226 HydrophobicContact SD-CG 4.19Å
220	Q	86	Confident	85.6	Confident	56 Å²	56	35.5 Å²	35.5	26%	0.262	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	121.5	177.6	-176.2	179.9	39.1	0	0	108.9	L222 R227	Q220-L222 HydrophobicContact CG-CD2 4.19Å; Q220-R227 HydrophobicContact CB-CB 4.5Å; Q220-R227 PolarHBondContact N-O 3.24Å; Q220-R227 PolarHBondContact O-N 3.08Å; Q220-R227 VanDerWaalsContact O-O 3.11Å
221	D	81.3	Confident	85.5	Confident	48 Å²	48	37.7 Å²	37.7	26%	0.257	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	124.7	179	-149.4	-46.4	0	0	0	110.3	R176 G223 L226	R176-D221 IonicContact CZ-OD1 3.13Å; R176-D221 IonicContact CZ-OD2 3.23Å; R176-D221 IonicContact NE-OD2 2.87Å; R176-D221 PolarHBondContact NE-OD2 3.39Å; R176-D221 IonicContact NH2-OD1 2.72Å; R176-D221 PolarHBondContact NH2-OD1 3.03Å; R176-D221 IonicContact NH2-OD2 2.83Å; R176-D221 PolarHBondContact NH2-OD2 3.39Å; D221-G223 PolarHBondContact OD1-N 3.19Å; D221-L226 HydrophobicContact CB-CD1 4.27Å
222	L	82.8	Confident	85.3	Confident	86 Å²	86	37.6 Å²	37.6	45%	0.45	19%	0.193	S	C	.	.			trans	-114.6	18.6	177.7	-57.1	172.6	0	0	0	111	Q220 D224 K225 R227	Q220-L222 HydrophobicContact CG-CD2 4.19Å; L222-D224 VanDerWaalsContact C-N 3.34Å; L222-D224 PolarHBondContact O-N 3.07Å; L222-K225 WeakPolarHBondContact CA-O 3.37Å; L222-K225 WeakPolarHBondContact CB-O 3.43Å; L222-K225 PolarHBondContact N-O 3.37Å; L222-R227 HydrophobicContact CD1-CB 4.31Å
223	G	75.8	Confident	85.1	Confident	48 Å²	48	40.5 Å²	40.5	50%	0.495	21%	0.207	S	C	.	.	S	Bend	trans	77.6	-76.2	179.7	0	0	0	0	0	112.5	D221 K225	D221-G223 PolarHBondContact OD1-N 3.19Å; G223-K225 VanDerWaalsContact C-N 3.31Å
224	D	78.8	Confident	84.9	Confident	119 Å²	119	43 Å²	43	64%	0.636	22%	0.216	S	C	*	.	S	Bend	trans	-78.7	-13.9	179.5	-76.7	-36.9	0	0	0	113.6	L222	L222-D224 VanDerWaalsContact C-N 3.34Å; L222-D224 PolarHBondContact O-N 3.07Å
225	K	84.1	Confident	84.9	Confident	76 Å²	76	43.4 Å²	43.4	33%	0.33	22%	0.217	S	C	.	.			trans	-142.3	151	175.4	-64.6	-176.1	179.5	-178.1	0	111.5	E165 V166 K167 M172 L222 G223	E165-K225 IonicContact OE2-NZ 3.7Å; E165-K225 PolarHBondContact OE2-NZ 3.08Å; V166-K225 VanDerWaalsContact O-CA 3.31Å; V166-K225 WeakPolarHBondContact O-CA 3.33Å; K167-K225 HydrophobicContact CG-CG 4.38Å; M172-K225 VanDerWaalsContact SD-CA 3.58Å; L222-K225 WeakPolarHBondContact CA-O 3.37Å; L222-K225 WeakPolarHBondContact CB-O 3.43Å; L222-K225 PolarHBondContact N-O 3.37Å; G223-K225 VanDerWaalsContact C-N 3.31Å
226	L	85.9	Confident	84.9	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	111	172.4	-166.9	65.5	0	0	0	108.6	E165 V166 M172 L175 R176 M219 D221 M228	E165-L226 WeakPolarHBondContact CA-O 3.33Å; V166-L226 PolarHBondContact N-O 3.23Å; V166-L226 PolarHBondContact O-N 2.85Å; M172-L226 HydrophobicContact CB-CB 4.39Å; M172-L226 HydrophobicContact CB-CD2 4.37Å; M172-L226 HydrophobicContact CG-CB 3.67Å; M172-L226 HydrophobicContact CG-CD2 4.41Å; M172-L226 HydrophobicContact SD-CB 3.68Å; M172-L226 PolarHBondContact SD-N 2.87Å; L175-L226 HydrophobicContact CB-CD2 4.11Å; R176-L226 HydrophobicContact CG-CD2 4.45Å; M219-L226 HydrophobicContact CE-CD1 4.22Å; M219-L226 HydrophobicContact CG-CD1 3.62Å; M219-L226 HydrophobicContact CG-CD2 4.26Å; M219-L226 HydrophobicContact CG-CG 3.95Å; M219-L226 HydrophobicContact SD-CD1 3.85Å; M219-L226 HydrophobicContact SD-CD2 3.88Å; M219-L226 HydrophobicContact SD-CG 4.19Å; D221-L226 HydrophobicContact CB-CD1 4.27Å; L226-M228 HydrophobicContact CB-CE 4.31Å; L226-M228 HydrophobicContact CD2-CE 3.73Å; L226-M228 HydrophobicContact CG-CE 3.89Å
227	R	88.2	Confident	84.9	Confident	96 Å²	96	48 Å²	48	36%	0.362	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	134.3	173.8	179.5	179.8	-84.6	-169.3	-4.3	108.8	I163 I164 E165 Q220 L222	I163-R227 HydrophobicContact CG2-CG 3.72Å; I164-R227 WeakPolarHBondContact O-CA 3.34Å; E165-R227 HydrophobicContact CG-CB 4.35Å; E165-R227 HydrophobicContact CG-CG 4.33Å; E165-R227 IonicContact OE1-CZ 2.77Å; E165-R227 IonicContact OE1-NE 2.82Å; E165-R227 PolarHBondContact OE1-NE 3.49Å; E165-R227 VanDerWaalsContact OE1-NE 3.1Å; E165-R227 IonicContact OE1-NH2 2.61Å; E165-R227 PolarHBondContact OE1-NH2 2.97Å; Q220-R227 HydrophobicContact CB-CB 4.5Å; Q220-R227 PolarHBondContact N-O 3.24Å; Q220-R227 PolarHBondContact O-N 3.08Å; Q220-R227 VanDerWaalsContact O-O 3.11Å; L222-R227 HydrophobicContact CD1-CB 4.31Å
228	M	87	Confident	85.1	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	138.9	-176.5	55.6	-170.1	74.8	0	0	111.7	I149 I163 I164 V166 L175 I216 E218 L226 V230	I149-M228 HydrophobicContact CD1-SD 4.14Å; I163-M228 WeakPolarHBondContact CA-O 3.27Å; I164-M228 HydrophobicContact CB-CG 3.97Å; I164-M228 PolarHBondContact N-O 3.38Å; I164-M228 WeakPolarHBondContact O-CG 3.29Å; I164-M228 PolarHBondContact O-N 2.94Å; V166-M228 HydrophobicContact CB-CE 4.39Å; V166-M228 HydrophobicContact CG2-CE 3.78Å; L175-M228 HydrophobicContact CD1-CE 3.76Å; L175-M228 HydrophobicContact CD1-SD 4.32Å; I216-M228 HydrophobicContact CD1-SD 4.25Å; I216-M228 HydrophobicContact CG1-SD 4.48Å; I216-M228 HydrophobicContact CG2-CB 4.2Å; E218-M228 CarbonylContact O-C 3.58Å; E218-M228 WeakPolarHBondContact O-CA 3.22Å; L226-M228 HydrophobicContact CB-CE 4.31Å; L226-M228 HydrophobicContact CD2-CE 3.73Å; L226-M228 HydrophobicContact CG-CE 3.89Å; M228-V230 HydrophobicContact CB-CG1 3.81Å; M228-V230 HydrophobicContact CG-CG1 3.54Å; M228-V230 HydrophobicContact SD-CG1 4.08Å
229	I	87.9	Confident	85.1	Confident	54 Å²	54	46.8 Å²	46.8	28%	0.277	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	119.3	172.6	-54.4	-174.2	0	0	0	107.2	I161 I163 H217 E218	I161-I229 HydrophobicContact CG2-CG2 3.38Å; I163-I229 HydrophobicContact CG1-CG1 4.43Å; H217-I229 PolarHBondContact N-O 3.34Å; E218-I229 HydrophobicContact CB-CB 4.05Å; E218-I229 HydrophobicContact CB-CD1 4.29Å; E218-I229 HydrophobicContact CB-CG1 4.24Å; E218-I229 PolarHBondContact N-O 2.98Å; E218-I229 PolarHBondContact O-N 3.46Å
230	V	87.6	Confident	84.8	Confident	2 Å²	2	54 Å²	54	1%	0.012	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	134	-164.3	-45.6	0	0	0	0	111.4	I161 K162 I164 V214 Q215 I216 M228	I161-V230 CarbonylContact C-O 3.54Å; I161-V230 VanDerWaalsContact CA-O 3.31Å; I161-V230 WeakPolarHBondContact CA-O 3.46Å; K162-V230 PolarHBondContact N-O 3.46Å; K162-V230 WeakPolarHBondContact O-CG2 3.36Å; K162-V230 PolarHBondContact O-N 3.5Å; I164-V230 HydrophobicContact CD1-CG2 3.72Å; I164-V230 HydrophobicContact CG1-CG2 4.01Å; V214-V230 HydrophobicContact CG1-CB 3.36Å; V214-V230 HydrophobicContact CG1-CG1 4.42Å; V214-V230 HydrophobicContact CG1-CG2 3.46Å; V214-V230 VanDerWaalsContact CG1-CG2 3.46Å; Q215-V230 CarbonylContact O-C 3.54Å; Q215-V230 VanDerWaalsContact O-CA 3.31Å; Q215-V230 WeakPolarHBondContact O-CA 3.36Å; I216-V230 HydrophobicContact CG1-CG1 4.06Å; M228-V230 HydrophobicContact CB-CG1 3.81Å; M228-V230 HydrophobicContact CG-CG1 3.54Å; M228-V230 HydrophobicContact SD-CG1 4.08Å
231	M	86.5	Confident	84.3	Confident	46 Å²	46	54.4 Å²	54.4	23%	0.227	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	122.1	-178.2	-175	-177.8	-68.4	0	0	110.4	F160 I161 V214 Q215 H217 H233	F160-M231 WeakPolarHBondContact O-CA 3.06Å; I161-M231 HydrophobicContact CD1-CE 3.8Å; I161-M231 HydrophobicContact CG1-CB 4.31Å; I161-M231 HydrophobicContact CG1-CE 3.79Å; I161-M231 HydrophobicContact CG1-CG 4.28Å; V214-M231 CarbonylContact C-O 3.57Å; V214-M231 WeakPolarHBondContact CA-O 3.28Å; Q215-M231 PolarHBondContact N-O 2.92Å; Q215-M231 PolarHBondContact O-N 3.32Å; H217-M231 VanDerWaalsContact CD2-CB 3.48Å; H217-M231 WeakPolarHBondContact CD2-CB 3.43Å; H217-M231 WeakPolarHBondContact NE2-CB 3.49Å; M231-H233 PolarHBondContact O-CD2 3.01Å
232	G	85.9	Confident	83.9	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	138.6	169.7	0	0	0	0	0	111.4	R159 F160	R159-G232 VanDerWaalsContact CA-O 3.26Å; R159-G232 WeakPolarHBondContact CA-O 3.35Å; R159-G232 PolarHBondContact N-O 3.11Å; F160-G232 PolarHBondContact O-N 2.9Å
233	H	84.8	Confident	82.6	Confident	63 Å²	63	58.9 Å²	58.9	29%	0.292	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	-44.9	179.1	-81.5	-80.9	0	0	0	113.3	F213 Q215 M231	F213-H233 HydrophobicContact CD1-CB 4.37Å; F213-H233 PolarHBondContact O-N 3.28Å; Q215-H233 PolarHBondContact OE1-NE2 3.03Å; M231-H233 PolarHBondContact O-CD2 3.01Å
234	R	86.1	Confident	81.4	Confident	51 Å²	51	61.5 Å²	61.5	19%	0.192	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	157.5	-177.5	60.4	-179.4	179.7	-111.3	-1.2	111.8	P140 E141 T212 F213 N315	P140-R234 PolarHBondContact O-NH1 3.48Å; P140-R234 PolarHBondContact O-NH2 3.01Å; E141-R234 PolarHBondContact O-NH1 3.3Å; E141-R234 PolarHBondContact O-NH2 3.38Å; E141-R234 VanDerWaalsContact O-NH2 3.17Å; T212-R234 WeakPolarHBondContact CA-O 3.36Å; F213-R234 HydrophobicContact CB-CG 3.89Å; F213-R234 PolarHBondContact N-O 3.41Å; R234-N315 WeakPolarHBondContact CD-OD1 3.29Å; R234-N315 PolarHBondContact NE-OD1 3.3Å
235	R	88.1	Confident	79.3	Confident	10 Å²	10	65.1 Å²	65.1	4%	0.038	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	139.8	172.8	-61.2	-173	-61.8	179.4	2.8	110.8	P158 G211 V316 H318 L388 E390 R396	P158-R235 HydrophobicContact CG-CG 3.88Å; G211-R235 CarbonylContact O-C 3.6Å; G211-R235 WeakPolarHBondContact O-CA 3.23Å; R235-V316 HydrophobicContact CB-CB 3.96Å; R235-V316 HydrophobicContact CB-CG2 4.38Å; R235-V316 PolarHBondContact O-N 3.39Å; R235-H318 PolarHBondContact NH2-CE1 3.36Å; R235-H318 VanDerWaalsContact NH2-CE1 3.31Å; R235-H318 PolarHBondContact NH2-ND1 3.14Å; R235-H318 PolarHBondContact NH2-NE2 3.33Å; R235-L388 WeakPolarHBondContact CD-O 3.26Å; R235-L388 HydrophobicContact CG-CD1 4.02Å; R235-L388 PolarHBondContact NH1-O 2.9Å; R235-E390 PolarHBondContact NH1-O 2.95Å; R235-R396 VanDerWaalsContact NH1-NH1 3.2Å
236	I	89.8	Confident	77.2	Confident	0 Å²	0	66 Å²	66	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	154.6	177.5	51.6	172.6	0	0	0	111	F189 T210 G211 F213 V313 D314	F189-I236 HydrophobicContact CE1-CD1 4.47Å; F189-I236 HydrophobicContact CE1-CG1 4.27Å; F189-I236 HydrophobicContact CE2-CD1 4.06Å; F189-I236 HydrophobicContact CZ-CD1 3.61Å; F189-I236 HydrophobicContact CZ-CG1 3.86Å; T210-I236 CarbonylContact C-O 3.54Å; T210-I236 WeakPolarHBondContact CA-O 3.35Å; G211-I236 PolarHBondContact N-O 3Å; G211-I236 PolarHBondContact O-N 3.48Å; F213-I236 HydrophobicContact CB-CD1 4.06Å; F213-I236 HydrophobicContact CB-CG1 4.37Å; F213-I236 HydrophobicContact CB-CG2 3.77Å; I236-V313 HydrophobicContact CB-CB 4.22Å; I236-V313 HydrophobicContact CB-CG2 4.21Å; I236-V313 HydrophobicContact CD1-CB 4.21Å; I236-V313 HydrophobicContact CD1-CG1 4.28Å; I236-V313 HydrophobicContact CD1-CG2 3.89Å; I236-V313 HydrophobicContact CG2-CG2 4.22Å; I236-D314 CarbonylContact C-O 3.51Å; I236-D314 WeakPolarHBondContact CA-O 3.47Å; I236-D314 WeakPolarHBondContact CB-O 3.43Å
237	R	87.7	Confident	74.5	Confident	112 Å²	112	75.2 Å²	75.2	42%	0.423	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	137.1	175.6	-177.9	174.9	-68.2	162	-1.2	110.3	S209 V313 D314 V316	S209-R237 CarbonylContact O-C 3.53Å; S209-R237 VanDerWaalsContact O-CA 3.26Å; S209-R237 WeakPolarHBondContact O-CA 3.49Å; R237-V313 CarbonylContact O-C 3.6Å; R237-V313 VanDerWaalsContact O-CA 3.25Å; R237-V313 WeakPolarHBondContact O-CA 3.46Å; R237-D314 PolarHBondContact N-O 3Å; R237-D314 PolarHBondContact O-N 3.46Å; R237-V316 HydrophobicContact CB-CG2 3.82Å
238	I	86.6	Confident	71.6	Confident	23 Å²	23	78.5 Å²	78.5	12%	0.118	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	132.8	174	-62.6	-178.3	0	0	0	109.8	L148 F189 L204 I207 S209 V311	L148-I238 HydrophobicContact CD1-CD1 3.89Å; F189-I238 HydrophobicContact CD1-CD1 3.9Å; F189-I238 HydrophobicContact CD1-CG1 4.01Å; F189-I238 HydrophobicContact CD2-CD1 4.27Å; F189-I238 HydrophobicContact CE1-CD1 3.88Å; F189-I238 HydrophobicContact CE1-CG1 3.46Å; F189-I238 VanDerWaalsContact CE1-CG1 3.46Å; F189-I238 HydrophobicContact CE2-CD1 4.22Å; F189-I238 HydrophobicContact CE2-CG1 4.09Å; F189-I238 HydrophobicContact CG-CD1 4.1Å; F189-I238 HydrophobicContact CZ-CD1 4.03Å; F189-I238 HydrophobicContact CZ-CG1 3.49Å; F189-I238 VanDerWaalsContact CZ-CG1 3.49Å; L204-I238 HydrophobicContact CD1-CG2 4.23Å; L204-I238 HydrophobicContact CD2-CD1 4.44Å; L204-I238 HydrophobicContact CD2-CG2 4.44Å; I207-I238 HydrophobicContact CD1-CD1 3.47Å; I207-I238 VanDerWaalsContact CD1-CD1 3.47Å; I207-I238 HydrophobicContact CG1-CD1 4.49Å; S209-I238 PolarHBondContact O-N 2.99Å; I238-V311 HydrophobicContact CB-CG1 4.19Å; I238-V311 HydrophobicContact CD1-CG1 4.23Å; I238-V311 HydrophobicContact CG1-CG1 3.9Å; I238-V311 HydrophobicContact CG2-CG1 3.61Å
239	T	82.1	Confident	68.8	Low	74 Å²	74	84.3 Å²	84.3	45%	0.454	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	-42	172.7	58.6	0	0	0	0	112.2	E312 D314	T239-E312 PolarHBondContact N-O 3.14Å; T239-E312 PolarHBondContact OG1-O 3.33Å; T239-E312 VanDerWaalsContact OG1-O 3.07Å; T239-D314 HydrophobicContact CG2-CB 4.04Å; T239-D314 WeakPolarHBondContact CG2-OD2 3.2Å
240	R	77.2	Confident	65.8	Low	168 Å²	168	89.7 Å²	89.7	63%	0.634	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-154.3	147.7	-177	-162.7	-179.3	170.8	155.6	2.1	113.7	E312	R240-E312 HydrophobicContact CB-CB 4.25Å; R240-E312 PolarHBondContact N-O 3.21Å; R240-E312 PolarHBondContact O-N 3.42Å
241	Q	76.1	Confident	62.9	Low	66 Å²	66	92.5 Å²	92.5	31%	0.308	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	145.1	167.9	173.8	172.7	-38.6	0	0	111.5	L204 L309	L204-Q241 HydrophobicContact CD1-CB 4.09Å; Q241-L309 HydrophobicContact CG-CD2 4.22Å
242	L	72.9	Confident	60	Low	51 Å²	51	93.9 Å²	93.9	27%	0.267	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	128	176.7	-61	171.7	0	0	0	110	N145 M310	N145-L242 WeakPolarHBondContact ND2-CD1 3.36Å; L242-M310 HydrophobicContact CB-CB 4.08Å; L242-M310 PolarHBondContact N-O 3.25Å
243	E	55	Low	57.5	Low	177 Å²	177	98 Å²	98	83%	0.827	52%	0.518	S	S	*	.			trans	-84.7	163.3	173.4	-69.8	169.6	-169.8	0	0	111.1
244	V	51.8	Low	54.7	Low	103 Å²	103	100.7 Å²	100.7	62%	0.624	53%	0.53	S	S	*	.			trans	-129.2	96	-171.8	-175.1	0	0	0	0	110.5	M310	V244-M310 HydrophobicContact CG2-CG 4.31Å
245	E	35	Very low	52	Low	194 Å²	194	107.8 Å²	107.8	91%	0.907	56%	0.557	S	S	*	*			trans	-74.6	157.5	166.8	-64.1	178.5	146	0	0	111.2
246	A	39	Very low	49.2	Very low	96 Å²	96	112 Å²	112	79%	0.793	59%	0.588	S	S	*	*			trans	-138.6	92	-171	0	0	0	0	0	113.7
247	E	30.3	Very low	46.4	Very low	192 Å²	192	116 Å²	116	90%	0.897	62%	0.621	S	S	*	*			trans	-159	135	155.5	-123.5	174.3	-142.8	0	0	111.5
248	D	27.1	Very low	43.4	Very low	165 Å²	165	116 Å²	116	88%	0.882	64%	0.639	S	S	*	*			trans	177.7	91.7	159.7	-123.3	-13.7	0	0	0	108.9
249	V	26.8	Very low	41.2	Very low	124 Å²	124	124 Å²	124	75%	0.752	68%	0.675	S	S	*	*			trans	-140.4	129.5	-172	173.9	0	0	0	0	112.4
250	L	25.8	Very low	38.3	Very low	167 Å²	167	124.7 Å²	124.7	87%	0.874	68%	0.681	S	S	*	*			trans	68.9	161.3	173.2	-67	167	0	0	0	116.6
251	A	25.6	Very low	36.1	Very low	61 Å²	61	122.8 Å²	122.8	50%	0.504	68%	0.679	S	S	.	*			cis	-139.7	-174.6	22.5	0	0	0	0	0	116.4	K265	A251-K265 WeakPolarHBondContact O-CD 3.49Å; A251-K265 WeakPolarHBondContact O-CE 3.03Å; A251-K265 PolarHBondContact O-NZ 3.02Å
252	S	26.1	Very low	33.6	Very low	74 Å²	74	122.8 Å²	122.8	52%	0.517	69%	0.685	S	S	.	*			trans	-64.2	-139.9	-175.6	57.8	0	0	0	0	120.9	I264 K265	S252-I264 WeakPolarHBondContact O-CG1 3.41Å; S252-I264 WeakPolarHBondContact O-CG2 3.49Å; S252-K265 PolarHBondContact O-NZ 2.9Å
253	P	33.1	Very low	31.4	Very low	88 Å²	88	126.6 Å²	126.6	57%	0.571	70%	0.702	S	S	*	*				-140.4	163.3	-66.3	41.6	-26.6	0	0	0	118.4	I264	P253-I264 WeakPolarHBondContact O-CD1 3.48Å
254	H	25.9	Very low	30	Very low	118 Å²	118	120.7 Å²	120.7	55%	0.546	68%	0.675	S	S	.	*			trans	69.5	157.9	163.9	-61.8	-66	0	0	0	122.5	I264	H254-I264 WeakPolarHBondContact O-CD1 3.49Å
255	W	29.1	Very low	29.1	Very low	201 Å²	201	122.8 Å²	122.8	76%	0.761	68%	0.676	S	S	*	*			cis	-172.1	169	-38.3	-102.7	4.8	0	0	0	113.6
256	S	29.8	Very low	29.1	Very low	97 Å²	97	117.3 Å²	117.3	68%	0.678	66%	0.663	S	S	*	*			trans	101.6	169.2	162.9	82.2	0	0	0	0	120.8	P260	S256-P260 WeakPolarHBondContact O-CA 3.26Å; S256-P260 WeakPolarHBondContact O-CB 3.34Å
257	A	30.6	Very low	29.1	Very low	85 Å²	85	119.6 Å²	119.6	70%	0.702	67%	0.668	S	S	*	*			trans	-158.2	161.6	-167.2	0	0	0	0	0	112	P260	A257-P260 HydrophobicContact CB-CB 4Å; A257-P260 HydrophobicContact CB-CG 3.76Å
258	S	25	Very low	29.6	Very low	113 Å²	113	113.8 Å²	113.8	79%	0.79	65%	0.653	S	S	*	*	S	Bend	cis	-90.2	171.2	-0.5	57.3	0	0	0	0	113.8
259	E	40.1	Very low	30.1	Very low	189 Å²	189	113.7 Å²	113.7	88%	0.883	64%	0.64	S	S	*	*	S	Bend	trans	53.7	60.7	-147.8	-60	-164.6	124.9	0	0	110.6	E261	E259-E261 PolarHBondContact O-N 3.41Å
260	P	21.2	Very low	30	Very low	89 Å²	89	118.1 Å²	118.1	58%	0.578	64%	0.643	S	S	*	*			trans	-74.4	90.6	-169.9	-6.9	25.9	0	0	0	110.5	S256 A257	S256-P260 WeakPolarHBondContact O-CA 3.26Å; S256-P260 WeakPolarHBondContact O-CB 3.34Å; A257-P260 HydrophobicContact CB-CB 4Å; A257-P260 HydrophobicContact CB-CG 3.76Å
261	E	31.1	Very low	30.6	Very low	128 Å²	128	118.4 Å²	118.4	60%	0.598	64%	0.637	S	S	*	*				-54.6	118.3	124.6	-70.6	-154.4	111.5	0	0	106.4	E259 Q263	E259-E261 PolarHBondContact O-N 3.41Å; E261-Q263 PolarHBondContact OE1-NE2 3.44Å
262	P	23.5	Very low	30.4	Very low	66 Å²	66	120.9 Å²	120.9	43%	0.429	65%	0.651	S	S	.	*				-118.3	148.8	81.7	35.8	-34.8	0	0	0	114.1	I264	P262-I264 HydrophobicContact CB-CD1 4.47Å
263	Q	27.6	Very low	30.5	Very low	132 Å²	132	127.1 Å²	127.1	62%	0.617	67%	0.669	S	S	*	*			trans	-59.1	-159.1	153.6	-55.9	157.4	21.7	0	0	109.3	E261	E261-Q263 PolarHBondContact OE1-NE2 3.44Å
264	I	24.9	Very low	29.9	Very low	52 Å²	52	134.6 Å²	134.6	27%	0.267	69%	0.686	S	S	.	*			trans	71.1	87.2	172.6	-47.7	105.6	0	0	0	115.3	S252 P253 H254 P262	S252-I264 WeakPolarHBondContact O-CG1 3.41Å; S252-I264 WeakPolarHBondContact O-CG2 3.49Å; P253-I264 WeakPolarHBondContact O-CD1 3.48Å; H254-I264 WeakPolarHBondContact O-CD1 3.49Å; P262-I264 HydrophobicContact CB-CD1 4.47Å
265	K	33	Very low	29.7	Very low	148 Å²	148	133.8 Å²	133.8	64%	0.643	69%	0.693	S	S	*	*				47.4	143.3	113.8	-50.4	157.6	-164.2	162.2	0	117.8	A251 S252	A251-K265 WeakPolarHBondContact O-CD 3.49Å; A251-K265 WeakPolarHBondContact O-CE 3.03Å; A251-K265 PolarHBondContact O-NZ 3.02Å; S252-K265 PolarHBondContact O-NZ 2.9Å
266	A	36.2	Very low	29.3	Very low	78 Å²	78	134.8 Å²	134.8	65%	0.645	70%	0.697	S	S	*	*			cis	-163	166.3	35	0	0	0	0	0	113.9
267	T	38.2	Very low	29	Very low	145 Å²	145	137.8 Å²	137.8	89%	0.89	70%	0.698	S	S	*	*			trans	64.9	153.3	161.4	70.3	0	0	0	0	118.5
268	A	40.8	Very low	28.5	Very low	70 Å²	70	138.4 Å²	138.4	58%	0.579	69%	0.689	S	S	*	*			cis	-162	60.7	-28.4	0	0	0	0	0	109.8
269	R	38	Very low	28.3	Very low	163 Å²	163	141.4 Å²	141.4	62%	0.615	69%	0.691	S	S	*	*			trans	-136.3	140.3	169	-73.6	92.4	-152.6	-94.5	2.6	110.6	R180 L181	R180-R269 VanDerWaalsContact O-CZ 3.3Å; R180-R269 PolarHBondContact O-NH1 3.09Å; R180-R269 PolarHBondContact O-NH2 3.41Å; L181-R269 HydrophobicContact CD2-CG 3.83Å
270	R	25.6	Very low	28.2	Very low	216 Å²	216	137 Å²	137	82%	0.815	68%	0.678	S	S	*	*			trans	-168.7	165.4	-163	-133.7	180	157.1	-167.9	-2.5	105.3
271	K	36.6	Very low	28.3	Very low	173 Å²	173	138.2 Å²	138.2	75%	0.752	68%	0.684	S	S	*	*			cis	-139.4	139.7	16.1	-57.5	177.9	178.7	-177.5	0	110	K273	K271-K273 PolarHBondContact O-N 3.19Å
272	S	23.1	Very low	28	Very low	114 Å²	114	136.7 Å²	136.7	80%	0.797	69%	0.688	S	S	*	*			trans	-57.2	129.5	154.8	27.7	0	0	0	0	108.4
273	K	26.7	Very low	28	Very low	205 Å²	205	140.8 Å²	140.8	89%	0.891	71%	0.706	S	S	*	*				58.1	95	76.7	-167.4	-176.7	-173.3	179.7	0	111.1	K271	K271-K273 PolarHBondContact O-N 3.19Å
274	R	22	Very low	27.8	Very low	244 Å²	244	139.6 Å²	139.6	92%	0.921	72%	0.718	S	S	*	*			trans	-131.8	139.6	160.4	-144.7	176.8	-165	-177	3.5	110.1
275	S	20.6	Very low	27.7	Very low	101 Å²	101	144 Å²	144	71%	0.706	74%	0.738	S	S	*	*			trans	-80.3	174.1	171.8	53.8	0	0	0	0	111.5
276	R	21.9	Very low	27.2	Very low	222 Å²	222	144.1 Å²	144.1	84%	0.838	74%	0.74	S	S	*	*			trans	-8.4	145.9	132.6	-72.2	176.8	175.7	171.9	-2.4	115
277	K	21.7	Very low	26.6	Very low	161 Å²	161	147.2 Å²	147.2	70%	0.7	75%	0.745	S	S	*	*			cis	-162.4	165.7	20	-131.5	-174.4	162.6	-130.1	0	112
278	D	20.3	Very low	25.9	Very low	98 Å²	98	147.3 Å²	147.3	52%	0.524	74%	0.736	S	S	.	*			trans	43.7	125.9	146.1	-58.1	-12.2	0	0	0	123.8
279	Q	22.4	Very low	25.1	Very low	176 Å²	176	150.5 Å²	150.5	82%	0.822	74%	0.743	S	S	*	*				70.2	166.3	128.6	-69.6	-173.9	1.4	0	0	120.7
280	P	37.5	Very low	24.5	Very low	95 Å²	95	151 Å²	151	62%	0.617	75%	0.75	S	S	*	*			cis	-141	-170.3	-46.7	40.6	-23.5	0	0	0	113.7
281	T	22.3	Very low	24.4	Very low	115 Å²	115	146.5 Å²	146.5	71%	0.706	75%	0.746	S	S	*	*			trans	59.8	125.1	155	49	0	0	0	0	119
282	S	24.6	Very low	23.7	Very low	97 Å²	97	143 Å²	143	68%	0.678	74%	0.743	S	S	*	*				61.6	138.6	64.8	82.4	0	0	0	0	113.9
283	L	23.4	Very low	23.7	Very low	152 Å²	152	146.2 Å²	146.2	80%	0.796	75%	0.745	S	S	*	*			cis	-135.7	149	20.8	-70.2	148.4	0	0	0	112
284	A	23.5	Very low	23.6	Very low	106 Å²	106	140.2 Å²	140.2	88%	0.876	73%	0.734	S	S	*	*			trans	-146.9	107.4	155.8	0	0	0	0	0	107.3
285	E	23	Very low	23.7	Very low	146 Å²	146	136 Å²	136	68%	0.682	73%	0.73	S	S	*	*			trans	-86.2	177.8	179.8	-55.6	-175	150	0	0	112
286	Q	23.4	Very low	24	Very low	149 Å²	149	138.9 Å²	138.9	70%	0.696	74%	0.737	S	S	*	*			trans	82.5	105.4	151.5	-67.7	158.2	44.9	0	0	119.4
287	L	22.9	Very low	24.1	Very low	143 Å²	143	133.2 Å²	133.2	75%	0.749	73%	0.731	S	S	*	*				70	141.5	129.7	-51.9	176.7	0	0	0	118.4
288	E	22.9	Very low	24.8	Very low	148 Å²	148	131.3 Å²	131.3	69%	0.692	74%	0.735	S	S	*	*			cis	-155.8	173.8	-6.1	-133.6	176.1	159.2	0	0	113.2
289	N	24.9	Very low	25.3	Very low	136 Å²	136	134.8 Å²	134.8	73%	0.727	75%	0.748	S	S	*	*			trans	-70.9	154.6	170.9	-52	-86.6	0	0	0	112.1
290	K	24.2	Very low	25.6	Very low	174 Å²	174	134.7 Å²	134.7	76%	0.757	75%	0.752	S	S	*	*				167.7	125.7	114.3	-92.3	162.7	-176	167	0	116.9
291	V	23.3	Very low	25.7	Very low	122 Å²	122	138 Å²	138	74%	0.739	76%	0.759	S	S	*	*				70.4	137.9	121.9	176	0	0	0	0	121.5
292	S	22.9	Very low	26.2	Very low	98 Å²	98	138.4 Å²	138.4	69%	0.685	76%	0.764	S	S	*	*			trans	69	154.7	154.4	68.4	0	0	0	0	119
293	E	23.4	Very low	26.3	Very low	182 Å²	182	140.8 Å²	140.8	85%	0.85	77%	0.769	S	S	*	*			cis	-162.1	173.9	-18.1	-115	171.4	-176.8	0	0	110
294	A	24.3	Very low	26.9	Very low	80 Å²	80	138.5 Å²	138.5	66%	0.661	76%	0.763	S	S	*	*			trans	60.6	118.4	149.6	0	0	0	0	0	122.2
295	D	24.3	Very low	27.7	Very low	154 Å²	154	144 Å²	144	82%	0.824	76%	0.763	S	S	*	*				75.4	147	126.3	-76.5	-20.9	0	0	0	124.9
296	L	26.1	Very low	29	Very low	163 Å²	163	141.5 Å²	141.5	85%	0.853	76%	0.761	S	S	*	*			trans	79.6	119.4	160.6	-68.2	160.1	0	0	0	120.6
297	S	23.8	Very low	30.5	Very low	103 Å²	103	137.6 Å²	137.6	72%	0.72	75%	0.745	S	S	*	*			trans	-63.1	164.5	164.4	52.9	0	0	0	0	113.6
298	P	37.2	Very low	32	Very low	121 Å²	121	133.9 Å²	133.9	79%	0.786	73%	0.725	S	S	*	*			cis	-142	-171.2	30.7	42.9	-22.6	0	0	0	118.2
299	E	30.6	Very low	34	Very low	170 Å²	170	127.8 Å²	127.8	79%	0.794	70%	0.697	S	S	*	*			trans	-38.7	142	-175	-55.7	172.2	106.5	0	0	119.2
300	L	29.2	Very low	36.4	Very low	174 Å²	174	122.6 Å²	122.6	91%	0.911	67%	0.669	S	S	*	*			trans	-149.7	132	139.8	-100.8	171.9	0	0	0	109
301	Q	38.9	Very low	39.2	Very low	164 Å²	164	114.3 Å²	114.3	77%	0.766	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-96.6	133.1	-175.3	-67.2	-178.1	-2.8	0	0	113.4
302	P	32.9	Very low	42	Very low	124 Å²	124	111.9 Å²	111.9	81%	0.805	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-98.9	148.9	159.1	-4.3	25	0	0	0	112.5
303	L	27.1	Very low	45	Very low	147 Å²	147	107.4 Å²	107.4	77%	0.77	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-90.3	152.4	-177.8	-70.3	168.8	0	0	0	113.4
304	P	36.3	Very low	48	Very low	104 Å²	104	103.7 Å²	103.7	68%	0.675	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-87.6	125.3	-170.3	33.1	-34.9	0	0	0	114.7
305	Y	40.9	Very low	50.9	Low	222 Å²	222	102.8 Å²	102.8	87%	0.871	55%	0.552	S	S	*	*			trans	-136	42.3	169.3	-76.1	-72.8	0	0	0	112.7
306	S	49.6	Very low	53.6	Low	93 Å²	93	96.5 Å²	96.5	65%	0.65	52%	0.52	S	S	*	.			trans	-88.2	-6.7	-172.8	42.6	0	0	0	0	116.5
307	N	54	Low	56.1	Low	67 Å²	67	96.8 Å²	96.8	36%	0.358	52%	0.516	S	S	.	.			trans	-102.5	13.9	-155.8	-62.7	28	0	0	0	115.6	V200 E202	V200-N307 WeakPolarHBondContact CG1-O 3.42Å; E202-N307 PolarHBondContact OE1-ND2 3.27Å
308	I	56.1	Low	58.5	Low	65 Å²	65	95 Å²	95	33%	0.333	50%	0.496	S	S	.	.			trans	-102.6	102.7	-176.9	-54.6	178.4	0	0	0	111.2	L174	L174-I308 HydrophobicContact CD1-CG2 3.69Å
309	L	63.7	Low	60.4	Low	20 Å²	20	93.5 Å²	93.5	11%	0.105	48%	0.479	C	S	.	.			trans	-83.5	118.4	-176.3	-55.1	-170.6	0	0	0	113.5	V201 L204 Q241 V311	V201-L309 HydrophobicContact CB-CD1 4.37Å; V201-L309 HydrophobicContact CG1-CD1 4.09Å; V201-L309 VanDerWaalsContact O-CD1 3.26Å; V201-L309 WeakPolarHBondContact O-CD1 3.44Å; V201-L309 WeakPolarHBondContact O-CG 3.38Å; L204-L309 HydrophobicContact CD2-CD1 4.43Å; Q241-L309 HydrophobicContact CG-CD2 4.22Å; L309-V311 HydrophobicContact CB-CG2 4.37Å
310	M	76.6	Confident	62.3	Low	27 Å²	27	95 Å²	95	13%	0.133	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	142.1	157.4	-78.2	-65.6	-51	0	0	109.2	V146 P147 L174 L242 V244	V146-M310 VanDerWaalsContact C-CE 3.47Å; V146-M310 WeakPolarHBondContact O-CE 3.43Å; P147-M310 HydrophobicContact CB-SD 4.05Å; L174-M310 HydrophobicContact CD1-SD 4.24Å; L174-M310 HydrophobicContact CD2-SD 4.46Å; L242-M310 HydrophobicContact CB-CB 4.08Å; L242-M310 PolarHBondContact N-O 3.25Å; V244-M310 HydrophobicContact CG2-CG 4.31Å
311	V	81.4	Confident	64.2	Low	0 Å²	0	90.8 Å²	90.8	0%	0	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	139.4	-170.7	-178.2	0	0	0	0	111.5	V146 L148 I238 L309 V313	V146-V311 PolarHBondContact N-O 2.89Å; V146-V311 PolarHBondContact O-N 3.03Å; L148-V311 HydrophobicContact CB-CG2 3.94Å; L148-V311 HydrophobicContact CD1-CG2 3.88Å; I238-V311 HydrophobicContact CB-CG1 4.19Å; I238-V311 HydrophobicContact CD1-CG1 4.23Å; I238-V311 HydrophobicContact CG1-CG1 3.9Å; I238-V311 HydrophobicContact CG2-CG1 3.61Å; L309-V311 HydrophobicContact CB-CG2 4.37Å; V311-V313 HydrophobicContact CG1-CG1 3.89Å
312	E	83.7	Confident	65.8	Low	71 Å²	71	88.3 Å²	88.3	33%	0.332	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	130.5	170.2	-167.3	168	-153.3	0	0	109.8	P144 T239 R240	P144-E312 HydrophobicContact CB-CG 4.26Å; P144-E312 CarbonylContact O-C 3.55Å; P144-E312 VanDerWaalsContact O-CA 3.31Å; P144-E312 WeakPolarHBondContact O-CA 3.1Å; T239-E312 PolarHBondContact N-O 3.14Å; T239-E312 PolarHBondContact OG1-O 3.33Å; T239-E312 VanDerWaalsContact OG1-O 3.07Å; R240-E312 HydrophobicContact CB-CB 4.25Å; R240-E312 PolarHBondContact N-O 3.21Å; R240-E312 PolarHBondContact O-N 3.42Å
313	V	85.3	Confident	67.8	Low	5 Å²	5	86.4 Å²	86.4	3%	0.03	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	141.3	-171.8	-52.4	0	0	0	0	113.2	P144 V146 F189 I236 R237 V311	P144-V313 WeakPolarHBondContact O-CG2 3.42Å; P144-V313 PolarHBondContact O-N 3.44Å; V146-V313 HydrophobicContact CG1-CG2 4.44Å; V146-V313 HydrophobicContact CG2-CB 4.45Å; V146-V313 HydrophobicContact CG2-CG1 3.7Å; V146-V313 HydrophobicContact CG2-CG2 3.81Å; F189-V313 HydrophobicContact CE2-CG1 4.36Å; F189-V313 HydrophobicContact CZ-CG1 3.95Å; I236-V313 HydrophobicContact CB-CB 4.22Å; I236-V313 HydrophobicContact CB-CG2 4.21Å; I236-V313 HydrophobicContact CD1-CB 4.21Å; I236-V313 HydrophobicContact CD1-CG1 4.28Å; I236-V313 HydrophobicContact CD1-CG2 3.89Å; I236-V313 HydrophobicContact CG2-CG2 4.22Å; R237-V313 CarbonylContact O-C 3.6Å; R237-V313 VanDerWaalsContact O-CA 3.25Å; R237-V313 WeakPolarHBondContact O-CA 3.46Å; V311-V313 HydrophobicContact CG1-CG1 3.89Å
314	D	86	Confident	70.4	Confident	104 Å²	104	82 Å²	82	56%	0.556	42%	0.422	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.4	153	176	-96.8	-36.1	0	0	0	112.4	I236 R237 T239	I236-D314 CarbonylContact C-O 3.51Å; I236-D314 WeakPolarHBondContact CA-O 3.47Å; I236-D314 WeakPolarHBondContact CB-O 3.43Å; R237-D314 PolarHBondContact N-O 3Å; R237-D314 PolarHBondContact O-N 3.46Å; T239-D314 HydrophobicContact CG2-CB 4.04Å; T239-D314 WeakPolarHBondContact CG2-OD2 3.2Å
315	N	84.8	Confident	72.6	Confident	60 Å²	60	84.8 Å²	84.8	32%	0.321	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	126.2	178.2	-67.5	-20.8	0	0	0	111.6	E141 R234 Q317	E141-N315 PolarHBondContact O-ND2 3.45Å; R234-N315 WeakPolarHBondContact CD-OD1 3.29Å; R234-N315 PolarHBondContact NE-OD1 3.3Å; N315-Q317 PolarHBondContact O-N 3.44Å
316	V	82.6	Confident	74.5	Confident	23 Å²	23	80.7 Å²	80.7	14%	0.139	42%	0.415	C	S	.	.			trans	-81	106.7	178.6	-179	0	0	0	0	110.9	T210 R235 R237	T210-V316 HydrophobicContact CG2-CG2 4.27Å; R235-V316 HydrophobicContact CB-CB 3.96Å; R235-V316 HydrophobicContact CB-CG2 4.38Å; R235-V316 PolarHBondContact O-N 3.39Å; R237-V316 HydrophobicContact CB-CG2 3.82Å
317	Q	78.2	Confident	76.1	Confident	168 Å²	168	76.3 Å²	76.3	79%	0.785	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-77.8	156.9	172.3	-58.3	-172.8	12.8	0	0	111.6	N315	N315-Q317 PolarHBondContact O-N 3.44Å
318	H	74.3	Confident	77.5	Confident	65 Å²	65	79.1 Å²	79.1	30%	0.301	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-93.4	157	174.4	-66.8	72	0	0	0	111.4	R235 I367 R396	R235-H318 PolarHBondContact NH2-CE1 3.36Å; R235-H318 VanDerWaalsContact NH2-CE1 3.31Å; R235-H318 PolarHBondContact NH2-ND1 3.14Å; R235-H318 PolarHBondContact NH2-NE2 3.33Å; H318-I367 VanDerWaalsContact NE2-CG2 3.35Å; H318-I367 WeakPolarHBondContact NE2-CG2 3.32Å; H318-R396 PolarHBondContact NE2-NH1 3.41Å
319	E	75.5	Confident	78.9	Confident	90 Å²	90	79 Å²	79	42%	0.421	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-62	142.2	164.2	-73.8	153.7	-138.5	0	0	110.5	F321 T391 N392	E319-F321 PolarHBondContact O-N 3.33Å; E319-T391 WeakPolarHBondContact OE1-CB 3.21Å; E319-T391 PolarHBondContact OE1-OG1 2.7Å; E319-N392 WeakPolarHBondContact OE2-CB 3.44Å; E319-N392 PolarHBondContact OE2-ND2 3.09Å
320	Q	70.6	Confident	79.9	Confident	202 Å²	202	79.5 Å²	79.5	94%	0.944	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-67	131	171.8	-64.1	-176.4	7.4	0	0	109.3
321	F	69.6	Low	80.4	Confident	85 Å²	85	78.9 Å²	78.9	37%	0.373	40%	0.402	S	S	.	.			trans	-131.9	150.1	-173.3	78.7	-72.6	0	0	0	111.8	E319 V323 P366 I393	E319-F321 PolarHBondContact O-N 3.33Å; F321-V323 HydrophobicContact CE2-CG2 4.12Å; F321-P366 HydrophobicContact CE2-CG 4.35Å; F321-I393 HydrophobicContact CB-CD1 4.45Å; F321-I393 HydrophobicContact CD1-CD1 3.34Å; F321-I393 HydrophobicContact CD2-CD1 4.25Å; F321-I393 HydrophobicContact CD2-CG2 4.45Å; F321-I393 HydrophobicContact CE1-CD1 3.47Å; F321-I393 VanDerWaalsContact CE1-CD1 3.47Å; F321-I393 HydrophobicContact CE2-CD1 4.35Å; F321-I393 HydrophobicContact CE2-CG2 4.43Å; F321-I393 HydrophobicContact CG-CD1 3.76Å; F321-I393 HydrophobicContact CZ-CD1 3.99Å
322	T	72.4	Confident	80.5	Confident	112 Å²	112	81.8 Å²	81.8	69%	0.687	43%	0.426	S	S	*	.			trans	-100.3	149.9	168.3	53.6	0	0	0	0	110	T324	T322-T324 VanDerWaalsContact C-N 3.35Å; T322-T324 PolarHBondContact O-N 3.49Å
323	V	75.9	Confident	80.8	Confident	85 Å²	85	80.9 Å²	80.9	52%	0.515	42%	0.422	S	S	.	.			trans	-84.6	79.9	179.8	-170.1	0	0	0	0	109.8	F321 V327 K328	F321-V323 HydrophobicContact CE2-CG2 4.12Å; V323-V327 HydrophobicContact CG1-CG1 4.32Å; V323-K328 HydrophobicContact CG1-CD 4.49Å; V323-K328 HydrophobicContact CG1-CG 3.95Å
324	T	81.6	Confident	80.9	Confident	53 Å²	53	80.7 Å²	80.7	33%	0.325	42%	0.421	S	S	.	.			trans	-65.1	165.2	174	64.9	0	0	0	0	111.9	T322 E326 V327 K328	T322-T324 VanDerWaalsContact C-N 3.35Å; T322-T324 PolarHBondContact O-N 3.49Å; T324-E326 VanDerWaalsContact C-N 3.27Å; T324-E326 PolarHBondContact O-N 2.82Å; T324-V327 PolarHBondContact O-N 3.33Å; T324-V327 PolarHBondContact OG1-N 3.37Å; T324-K328 PolarHBondContact O-N 3.28Å
325	E	81.5	Confident	80.8	Confident	164 Å²	164	77.4 Å²	77.4	77%	0.766	40%	0.404	S	S	*	.	H	α-helix	trans	-64.5	-33.8	176.3	-58	-166.4	142.2	0	0	112.1	V327 K328 A329	E325-V327 VanDerWaalsContact C-N 3.35Å; E325-V327 PolarHBondContact O-N 2.93Å; E325-K328 WeakPolarHBondContact O-CB 3.38Å; E325-K328 PolarHBondContact O-N 2.93Å; E325-K328 VanDerWaalsContact O-N 3.14Å; E325-A329 PolarHBondContact O-N 2.72Å
326	E	82.1	Confident	81	Confident	136 Å²	136	79.3 Å²	79.3	64%	0.636	41%	0.41	S	S	*	.	H	α-helix	trans	-58	-44.6	173.7	-56.9	177	145.2	0	0	112	T324 K328 A329 L330	T324-E326 VanDerWaalsContact C-N 3.27Å; T324-E326 PolarHBondContact O-N 2.82Å; E326-K328 VanDerWaalsContact C-N 3.31Å; E326-K328 PolarHBondContact O-N 2.94Å; E326-A329 PolarHBondContact O-N 3.24Å; E326-L330 WeakPolarHBondContact O-CB 3.29Å; E326-L330 WeakPolarHBondContact O-CG 3.3Å; E326-L330 PolarHBondContact O-N 3.42Å
327	V	83.1	Confident	81.2	Confident	1 Å²	1	78.7 Å²	78.7	1%	0.006	41%	0.406	C	S	.	.	H	α-helix	trans	-61.5	-40.7	176.5	169.6	0	0	0	0	110.7	V323 T324 E325 T331 P366 P394 L397	V323-V327 HydrophobicContact CG1-CG1 4.32Å; T324-V327 PolarHBondContact O-N 3.33Å; T324-V327 PolarHBondContact OG1-N 3.37Å; E325-V327 VanDerWaalsContact C-N 3.35Å; E325-V327 PolarHBondContact O-N 2.93Å; V327-T331 WeakPolarHBondContact O-CG2 3.33Å; V327-T331 PolarHBondContact O-N 3.06Å; V327-T331 PolarHBondContact O-OG1 3.15Å; V327-P366 HydrophobicContact CG1-CB 4.41Å; V327-P366 HydrophobicContact CG1-CG 3.9Å; V327-P394 HydrophobicContact CG2-CB 4.5Å; V327-P394 HydrophobicContact CG2-CG 3.93Å; V327-L397 HydrophobicContact CG1-CD1 4.03Å; V327-L397 HydrophobicContact CG2-CD1 4.48Å
328	K	82.6	Confident	81.5	Confident	125 Å²	125	71.2 Å²	71.2	54%	0.543	37%	0.371	S	S	.	.	H	α-helix	trans	-68.3	-36.7	176.9	-61.8	175	-173.1	172.3	0	112.6	V323 T324 E325 E326 T331 A332	V323-K328 HydrophobicContact CG1-CD 4.49Å; V323-K328 HydrophobicContact CG1-CG 3.95Å; T324-K328 PolarHBondContact O-N 3.28Å; E325-K328 WeakPolarHBondContact O-CB 3.38Å; E325-K328 PolarHBondContact O-N 2.93Å; E325-K328 VanDerWaalsContact O-N 3.14Å; E326-K328 VanDerWaalsContact C-N 3.31Å; E326-K328 PolarHBondContact O-N 2.94Å; K328-T331 PolarHBondContact O-OG1 3.36Å; K328-A332 WeakPolarHBondContact O-CB 3.46Å; K328-A332 PolarHBondContact O-N 3.07Å
329	A	85.8	Confident	81.9	Confident	62 Å²	62	75.8 Å²	75.8	51%	0.512	39%	0.386	S	S	.	.	H	α-helix	trans	-67.9	-43.9	175.9	0	0	0	0	0	111.6	E325 E326 A332 E333	E325-A329 PolarHBondContact O-N 2.72Å; E326-A329 PolarHBondContact O-N 3.24Å; A329-A332 PolarHBondContact O-N 3.36Å; A329-E333 PolarHBondContact O-N 3Å; A329-E333 VanDerWaalsContact O-N 3.09Å
330	L	85.4	Confident	82.5	Confident	32 Å²	32	74.2 Å²	74.2	17%	0.168	38%	0.381	C	S	.	.	H	α-helix	trans	-64.1	-44.8	177.3	-72.7	170.9	0	0	0	112.1	E326 A332 E333 I334 L397 Y398 L401	E326-L330 WeakPolarHBondContact O-CB 3.29Å; E326-L330 WeakPolarHBondContact O-CG 3.3Å; E326-L330 PolarHBondContact O-N 3.42Å; L330-A332 VanDerWaalsContact C-N 3.33Å; L330-A332 PolarHBondContact O-N 3.33Å; L330-E333 PolarHBondContact O-N 2.85Å; L330-I334 WeakPolarHBondContact O-CD1 3.37Å; L330-I334 VanDerWaalsContact O-CG1 3.26Å; L330-I334 WeakPolarHBondContact O-CG1 3.47Å; L330-I334 PolarHBondContact O-N 2.96Å; L330-L397 HydrophobicContact CB-CB 4.17Å; L330-L397 HydrophobicContact CB-CD1 4.12Å; L330-L397 HydrophobicContact CD1-CB 4.09Å; L330-L397 HydrophobicContact CD1-CD1 4.39Å; L330-Y398 HydrophobicContact CD2-CD2 4.3Å; L330-L401 HydrophobicContact CD2-CD2 3.88Å
331	T	85.2	Confident	83.1	Confident	14 Å²	14	65 Å²	65	9%	0.086	34%	0.338	C	S	.	.	H	α-helix	trans	-64	-37.8	177.5	56	0	0	0	0	112.1	V327 K328 I334 V335 P366 L369 L397	V327-T331 WeakPolarHBondContact O-CG2 3.33Å; V327-T331 PolarHBondContact O-N 3.06Å; V327-T331 PolarHBondContact O-OG1 3.15Å; K328-T331 PolarHBondContact O-OG1 3.36Å; T331-I334 PolarHBondContact O-N 3.08Å; T331-V335 WeakPolarHBondContact O-CG2 3.47Å; T331-V335 PolarHBondContact O-N 3.16Å; T331-P366 HydrophobicContact CG2-CB 4.2Å; T331-P366 HydrophobicContact CG2-CG 4.16Å; T331-L369 HydrophobicContact CG2-CD2 3.75Å; T331-L397 HydrophobicContact CG2-CD1 4.22Å; T331-L397 HydrophobicContact CG2-CD2 4.01Å
332	A	85.3	Confident	83.7	Confident	61 Å²	61	62.2 Å²	62.2	50%	0.504	33%	0.326	S	S	.	.	H	α-helix	trans	-64.4	-44.6	176.3	0	0	0	0	0	113.1	K328 A329 L330 V335 K336	K328-A332 WeakPolarHBondContact O-CB 3.46Å; K328-A332 PolarHBondContact O-N 3.07Å; A329-A332 PolarHBondContact O-N 3.36Å; L330-A332 VanDerWaalsContact C-N 3.33Å; L330-A332 PolarHBondContact O-N 3.33Å; A332-V335 PolarHBondContact O-N 3.38Å; A332-K336 WeakPolarHBondContact O-CB 3.34Å; A332-K336 PolarHBondContact O-N 2.96Å
333	E	88.1	Confident	84.2	Confident	52 Å²	52	60.4 Å²	60.4	24%	0.243	32%	0.323	C	S	.	.	H	α-helix	trans	-70.1	-31.6	178	-179.4	75.7	161.7	0	0	112.1	A329 L330 K336 T337 L401 K405	A329-E333 PolarHBondContact O-N 3Å; A329-E333 VanDerWaalsContact O-N 3.09Å; L330-E333 PolarHBondContact O-N 2.85Å; E333-K336 PolarHBondContact O-N 3.41Å; E333-K336 IonicContact OE1-NZ 2.63Å; E333-K336 WeakPolarHBondContact OE2-CD 3.33Å; E333-K336 IonicContact OE2-NZ 2.72Å; E333-K336 PolarHBondContact OE2-NZ 3.47Å; E333-T337 WeakPolarHBondContact O-CG2 3.26Å; E333-T337 PolarHBondContact O-N 2.9Å; E333-T337 PolarHBondContact O-OG1 3.32Å; E333-L401 HydrophobicContact CB-CD2 4.36Å; E333-L401 HydrophobicContact CG-CD1 3.93Å; E333-L401 HydrophobicContact CG-CD2 3.94Å; E333-K405 WeakPolarHBondContact OE1-CE 3.4Å; E333-K405 IonicContact OE1-NZ 3.1Å; E333-K405 PolarHBondContact OE1-NZ 3.25Å
334	I	87.3	Confident	84.5	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-64.7	-48.5	170.4	-70	165.1	0	0	0	110.8	L330 T331 K336 T337 I338 L369 L397 L401 L404	L330-I334 WeakPolarHBondContact O-CD1 3.37Å; L330-I334 VanDerWaalsContact O-CG1 3.26Å; L330-I334 WeakPolarHBondContact O-CG1 3.47Å; L330-I334 PolarHBondContact O-N 2.96Å; T331-I334 PolarHBondContact O-N 3.08Å; I334-K336 PolarHBondContact O-N 3.41Å; I334-T337 WeakPolarHBondContact CA-OG1 3.42Å; I334-T337 PolarHBondContact O-N 2.94Å; I334-T337 PolarHBondContact O-OG1 3.44Å; I334-T337 VanDerWaalsContact O-OG1 3.08Å; I334-I338 HydrophobicContact CG2-CD1 3.71Å; I334-I338 HydrophobicContact CG2-CG1 4.4Å; I334-I338 WeakPolarHBondContact O-CB 3.36Å; I334-I338 WeakPolarHBondContact O-CG1 3.17Å; I334-I338 PolarHBondContact O-N 3.24Å; I334-L369 HydrophobicContact CB-CD2 4.03Å; I334-L369 HydrophobicContact CB-CG 4.41Å; I334-L369 HydrophobicContact CG2-CD1 3.98Å; I334-L369 HydrophobicContact CG2-CD2 3.86Å; I334-L369 HydrophobicContact CG2-CG 3.68Å; I334-L397 HydrophobicContact CD1-CB 4.15Å; I334-L397 HydrophobicContact CD1-CD2 3.65Å; I334-L401 HydrophobicContact CD1-CB 4.22Å; I334-L401 HydrophobicContact CG1-CB 3.78Å; I334-L401 HydrophobicContact CG1-CD1 3.84Å; I334-L401 HydrophobicContact CG1-CG 4.25Å; I334-L404 HydrophobicContact CG2-CD1 3.73Å
335	V	85.9	Confident	84.1	Confident	36 Å²	36	57.2 Å²	57.2	22%	0.218	30%	0.301	C	S	.	.	H	α-helix	trans	-61.2	-34.5	177.7	169	0	0	0	0	111.9	T331 A332 R339 V363 L369	T331-V335 WeakPolarHBondContact O-CG2 3.47Å; T331-V335 PolarHBondContact O-N 3.16Å; A332-V335 PolarHBondContact O-N 3.38Å; V335-R339 PolarHBondContact O-N 3.2Å; V335-V363 HydrophobicContact CG2-CG2 4.37Å; V335-L369 HydrophobicContact CG2-CD1 3.86Å; V335-L369 HydrophobicContact CG2-CD2 4.11Å
336	K	87.6	Confident	83.7	Confident	99 Å²	99	53.8 Å²	53.8	43%	0.43	29%	0.293	S	S	.	.	H	α-helix	trans	-68.3	-53.5	174.1	175.9	178.9	147.1	-139.7	0	112	A332 E333 I334 I338 R339 D340	A332-K336 WeakPolarHBondContact O-CB 3.34Å; A332-K336 PolarHBondContact O-N 2.96Å; E333-K336 PolarHBondContact O-N 3.41Å; E333-K336 IonicContact OE1-NZ 2.63Å; E333-K336 WeakPolarHBondContact OE2-CD 3.33Å; E333-K336 IonicContact OE2-NZ 2.72Å; E333-K336 PolarHBondContact OE2-NZ 3.47Å; I334-K336 PolarHBondContact O-N 3.41Å; K336-I338 VanDerWaalsContact C-N 3.33Å; K336-I338 PolarHBondContact O-N 3.36Å; K336-R339 WeakPolarHBondContact O-CA 3.34Å; K336-R339 VanDerWaalsContact O-CB 3.32Å; K336-R339 WeakPolarHBondContact O-CB 3.38Å; K336-R339 PolarHBondContact O-N 3Å; K336-D340 PolarHBondContact O-N 3.47Å
337	T	86.9	Confident	83.2	Confident	10 Å²	10	53.4 Å²	53.4	6%	0.061	29%	0.294	C	S	.	.	H	α-helix	trans	-60.8	-38.5	-179.3	46.6	0	0	0	0	112.8	E333 I334 R339 D340 I341 L401 K405	E333-T337 WeakPolarHBondContact O-CG2 3.26Å; E333-T337 PolarHBondContact O-N 2.9Å; E333-T337 PolarHBondContact O-OG1 3.32Å; I334-T337 WeakPolarHBondContact CA-OG1 3.42Å; I334-T337 PolarHBondContact O-N 2.94Å; I334-T337 PolarHBondContact O-OG1 3.44Å; I334-T337 VanDerWaalsContact O-OG1 3.08Å; T337-R339 VanDerWaalsContact C-N 3.35Å; T337-R339 PolarHBondContact O-N 2.96Å; T337-D340 PolarHBondContact O-N 3.36Å; T337-I341 WeakPolarHBondContact O-CG1 3.39Å; T337-I341 PolarHBondContact O-N 3.3Å; T337-L401 HydrophobicContact CG2-CD1 4.17Å; T337-K405 HydrophobicContact CG2-CG 4.06Å
338	I	85.3	Confident	82.6	Confident	11 Å²	11	56 Å²	56	6%	0.056	30%	0.304	C	S	.	.	H	α-helix	trans	-59.7	-43.4	171.9	-69.5	171.2	0	0	0	111.4	I334 K336 D340 I341 I342 L369 M372 L376 L404	I334-I338 HydrophobicContact CG2-CD1 3.71Å; I334-I338 HydrophobicContact CG2-CG1 4.4Å; I334-I338 WeakPolarHBondContact O-CB 3.36Å; I334-I338 WeakPolarHBondContact O-CG1 3.17Å; I334-I338 PolarHBondContact O-N 3.24Å; K336-I338 VanDerWaalsContact C-N 3.33Å; K336-I338 PolarHBondContact O-N 3.36Å; I338-D340 VanDerWaalsContact C-N 3.33Å; I338-D340 PolarHBondContact O-N 3.07Å; I338-I341 PolarHBondContact O-N 2.89Å; I338-I342 HydrophobicContact CG2-CD1 3.83Å; I338-I342 WeakPolarHBondContact O-CD1 3.34Å; I338-I342 VanDerWaalsContact O-CG1 3.27Å; I338-I342 WeakPolarHBondContact O-CG1 3.36Å; I338-I342 PolarHBondContact O-N 3.21Å; I338-I342 VanDerWaalsContact O-N 3.08Å; I338-L369 HydrophobicContact CD1-CD1 4.45Å; I338-M372 HydrophobicContact CD1-CE 4.11Å; I338-L376 HydrophobicContact CD1-CD1 4.36Å; I338-L376 HydrophobicContact CG1-CD1 4.35Å; I338-L376 HydrophobicContact CG2-CD1 4.04Å; I338-L404 HydrophobicContact CD1-CD1 4.08Å; I338-L404 HydrophobicContact CG1-CD1 3.81Å; I338-L404 HydrophobicContact CG1-CD2 3.77Å; I338-L404 HydrophobicContact CG1-CG 4.45Å
339	R	82.9	Confident	82.1	Confident	162 Å²	162	56.7 Å²	56.7	61%	0.611	30%	0.304	S	S	*	.	H	α-helix	trans	-62.9	-39.2	176.7	-172	-174	-59.9	156.6	4.1	112.1	V335 K336 T337 I342 A343	V335-R339 PolarHBondContact O-N 3.2Å; K336-R339 WeakPolarHBondContact O-CA 3.34Å; K336-R339 VanDerWaalsContact O-CB 3.32Å; K336-R339 WeakPolarHBondContact O-CB 3.38Å; K336-R339 PolarHBondContact O-N 3Å; T337-R339 VanDerWaalsContact C-N 3.35Å; T337-R339 PolarHBondContact O-N 2.96Å; R339-I342 PolarHBondContact O-N 3.44Å; R339-A343 PolarHBondContact O-N 3.31Å; R339-A343 VanDerWaalsContact O-N 3.07Å
340	D	86.5	Confident	81.2	Confident	57 Å²	57	60.1 Å²	60.1	31%	0.305	31%	0.309	S	S	.	.	H	α-helix	trans	-70.2	-34.4	-179.7	-61.9	-28.2	0	0	0	111.8	K336 T337 I338 A343 L344 Y408	K336-D340 PolarHBondContact O-N 3.47Å; T337-D340 PolarHBondContact O-N 3.36Å; I338-D340 VanDerWaalsContact C-N 3.33Å; I338-D340 PolarHBondContact O-N 3.07Å; D340-A343 PolarHBondContact O-N 3.09Å; D340-L344 PolarHBondContact O-N 3.13Å; D340-Y408 HydrophobicContact CB-CD2 4.04Å; D340-Y408 HydrophobicContact CB-CE2 3.64Å
341	I	84.2	Confident	80.3	Confident	8 Å²	8	61.4 Å²	61.4	4%	0.041	32%	0.32	C	S	.	.	H	α-helix	trans	-64.4	-47.4	170.3	-64.4	165.4	0	0	0	110.6	T337 I338 A343 L344 N345 Y348 L404 E407 Y408	T337-I341 WeakPolarHBondContact O-CG1 3.39Å; T337-I341 PolarHBondContact O-N 3.3Å; I338-I341 PolarHBondContact O-N 2.89Å; I341-A343 PolarHBondContact O-N 3.05Å; I341-L344 PolarHBondContact O-N 3.48Å; I341-N345 PolarHBondContact O-N 3.43Å; I341-Y348 HydrophobicContact CG2-CD2 3.91Å; I341-Y348 HydrophobicContact CG2-CE2 4.13Å; I341-Y348 HydrophobicContact CG2-CG 4.45Å; I341-L404 HydrophobicContact CD1-CB 4.49Å; I341-L404 HydrophobicContact CD1-CD2 3.78Å; I341-E407 HydrophobicContact CD1-CB 4.42Å; I341-Y408 HydrophobicContact CG1-CD2 4.05Å
342	I	82.6	Confident	79.5	Confident	27 Å²	27	61.1 Å²	61.1	14%	0.138	32%	0.319	C	S	.	.	H	α-helix	trans	-60.3	-27.3	177.8	-67.2	163.4	0	0	0	112	I338 R339 R349 V352	I338-I342 HydrophobicContact CG2-CD1 3.83Å; I338-I342 WeakPolarHBondContact O-CD1 3.34Å; I338-I342 VanDerWaalsContact O-CG1 3.27Å; I338-I342 WeakPolarHBondContact O-CG1 3.36Å; I338-I342 PolarHBondContact O-N 3.21Å; I338-I342 VanDerWaalsContact O-N 3.08Å; R339-I342 PolarHBondContact O-N 3.44Å; I342-R349 HydrophobicContact CG2-CB 3.84Å; I342-R349 HydrophobicContact CG2-CG 4.1Å; I342-V352 HydrophobicContact CD1-CB 3.97Å; I342-V352 HydrophobicContact CD1-CG1 3.87Å; I342-V352 HydrophobicContact CD1-CG2 3.96Å; I342-V352 HydrophobicContact CG1-CG2 4.44Å
343	A	82.9	Confident	78.6	Confident	74 Å²	74	62.7 Å²	62.7	61%	0.612	32%	0.318	S	S	*	.	H	α-helix	trans	-76.8	-27.8	174.7	0	0	0	0	0	113.4	R339 D340 I341	R339-A343 PolarHBondContact O-N 3.31Å; R339-A343 VanDerWaalsContact O-N 3.07Å; D340-A343 PolarHBondContact O-N 3.09Å; I341-A343 PolarHBondContact O-N 3.05Å
344	L	80.9	Confident	77.5	Confident	37 Å²	37	66.8 Å²	66.8	19%	0.194	34%	0.337	C	S	.	.	H	α-helix	trans	-83.3	-38.8	177.5	-70.1	178.7	0	0	0	113.1	D340 I341 Y408 K412 Q415	D340-L344 PolarHBondContact O-N 3.13Å; I341-L344 PolarHBondContact O-N 3.48Å; L344-Y408 HydrophobicContact CD1-CD2 3.77Å; L344-Y408 HydrophobicContact CD1-CE2 3.44Å; L344-Y408 VanDerWaalsContact CD1-CE2 3.44Å; L344-Y408 HydrophobicContact CG-CE2 4.22Å; L344-K412 HydrophobicContact CD1-CB 3.88Å; L344-Q415 PolarHBondContact O-NE2 3.36Å
345	N	74.6	Confident	76.2	Confident	34 Å²	34	68.5 Å²	68.5	18%	0.182	35%	0.346	C	S	.	.			trans	-130.3	105.5	-178.3	-179.8	-4.9	0	0	0	111	I341 L347 Y348	I341-N345 PolarHBondContact O-N 3.43Å; N345-L347 PolarHBondContact O-N 2.89Å; N345-L347 VanDerWaalsContact O-N 3.13Å; N345-L347 WeakPolarHBondContact OD1-CB 3.44Å; N345-L347 WeakPolarHBondContact OD1-CG 3.38Å; N345-L347 PolarHBondContact OD1-N 3.36Å; N345-L347 VanDerWaalsContact OD1-N 3.07Å; N345-Y348 HydrophobicContact CB-CD2 3.87Å; N345-Y348 HydrophobicContact CB-CE2 4.1Å; N345-Y348 WeakPolarHBondContact ND2-CE2 3.36Å; N345-Y348 PolarHBondContact O-N 3.37Å
346	P	73.3	Confident	75.1	Confident	92 Å²	92	72.2 Å²	72.2	60%	0.597	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-20.7	-178.9	-27.1	36	0	0	0	115.8	Y348 R349	P346-Y348 VanDerWaalsContact C-N 3.3Å; P346-Y348 PolarHBondContact O-N 3.2Å; P346-R349 WeakPolarHBondContact O-CB 3.42Å; P346-R349 PolarHBondContact O-N 3.3Å
347	L	71.1	Confident	73.7	Confident	128 Å²	128	75 Å²	75	67%	0.67	38%	0.376	S	S	*	.	H	α-helix	trans	-62.1	-38	-178.2	-62.4	173.3	0	0	0	111.9	N345 R349 E350	N345-L347 PolarHBondContact O-N 2.89Å; N345-L347 VanDerWaalsContact O-N 3.13Å; N345-L347 WeakPolarHBondContact OD1-CB 3.44Å; N345-L347 WeakPolarHBondContact OD1-CG 3.38Å; N345-L347 PolarHBondContact OD1-N 3.36Å; N345-L347 VanDerWaalsContact OD1-N 3.07Å; L347-R349 PolarHBondContact O-N 3.29Å; L347-E350 PolarHBondContact O-N 3.1Å
348	Y	70.1	Confident	72.1	Confident	55 Å²	55	78.1 Å²	78.1	22%	0.216	40%	0.404	C	S	.	.	H	α-helix	trans	-66.7	-19.4	174.8	-63.9	-73.8	0	0	0	113.1	I341 N345 P346 E350 V352 L376	I341-Y348 HydrophobicContact CG2-CD2 3.91Å; I341-Y348 HydrophobicContact CG2-CE2 4.13Å; I341-Y348 HydrophobicContact CG2-CG 4.45Å; N345-Y348 HydrophobicContact CB-CD2 3.87Å; N345-Y348 HydrophobicContact CB-CE2 4.1Å; N345-Y348 WeakPolarHBondContact ND2-CE2 3.36Å; N345-Y348 PolarHBondContact O-N 3.37Å; P346-Y348 VanDerWaalsContact C-N 3.3Å; P346-Y348 PolarHBondContact O-N 3.2Å; Y348-E350 VanDerWaalsContact C-N 3.34Å; Y348-E350 PolarHBondContact O-N 3.06Å; Y348-V352 WeakPolarHBondContact O-CB 3.44Å; Y348-V352 VanDerWaalsContact O-CG2 3.29Å; Y348-V352 WeakPolarHBondContact O-CG2 3.49Å; Y348-V352 PolarHBondContact O-N 3.49Å; Y348-L376 HydrophobicContact CD1-CD2 4.01Å; Y348-L376 WeakPolarHBondContact CE1-O 3.43Å
349	R	71.1	Confident	70.6	Confident	140 Å²	140	81.2 Å²	81.2	53%	0.528	44%	0.438	S	S	.	.	H	α-helix	trans	-61.9	-43.4	177.9	-172.7	177.2	-76.6	-173	-4.5	111.1	I342 P346 L347 L353	I342-R349 HydrophobicContact CG2-CB 3.84Å; I342-R349 HydrophobicContact CG2-CG 4.1Å; P346-R349 WeakPolarHBondContact O-CB 3.42Å; P346-R349 PolarHBondContact O-N 3.3Å; L347-R349 PolarHBondContact O-N 3.29Å; R349-L353 HydrophobicContact CG-CD1 3.83Å; R349-L353 HydrophobicContact CG-CG 4.32Å; R349-L353 VanDerWaalsContact O-CB 3.29Å; R349-L353 WeakPolarHBondContact O-CB 3.38Å; R349-L353 WeakPolarHBondContact O-CG 3.39Å; R349-L353 PolarHBondContact O-N 3.45Å
350	E	68.3	Low	69.3	Low	134 Å²	134	79.7 Å²	79.7	63%	0.626	44%	0.438	S	S	*	.	H	α-helix	trans	-69.4	-45.3	-178	-63.2	-172.2	166	0	0	111	L347 Y348 V352 L353 Q354	L347-E350 PolarHBondContact O-N 3.1Å; Y348-E350 VanDerWaalsContact C-N 3.34Å; Y348-E350 PolarHBondContact O-N 3.06Å; E350-V352 PolarHBondContact O-N 3.42Å; E350-L353 PolarHBondContact O-N 2.94Å; E350-Q354 WeakPolarHBondContact O-CG 3.43Å; E350-Q354 PolarHBondContact O-N 3.45Å
351	S	66.2	Low	68	Low	58 Å²	58	86.4 Å²	86.4	41%	0.406	46%	0.459	S	S	.	.	H	α-helix	trans	-58.4	-46	174.8	-48.4	0	0	0	0	112.1	Q354 M355	S351-Q354 PolarHBondContact O-N 3Å; S351-M355 WeakPolarHBondContact O-CG 3.34Å; S351-M355 PolarHBondContact O-N 3.16Å; S351-M355 VanDerWaalsContact O-N 3.14Å
352	V	68.7	Low	66.8	Low	9 Å²	9	87 Å²	87	6%	0.055	46%	0.463	C	S	.	.	H	α-helix	trans	-70.7	-36.6	179.7	175.1	0	0	0	0	112	I342 Y348 E350 M355 M356 L376	I342-V352 HydrophobicContact CD1-CB 3.97Å; I342-V352 HydrophobicContact CD1-CG1 3.87Å; I342-V352 HydrophobicContact CD1-CG2 3.96Å; I342-V352 HydrophobicContact CG1-CG2 4.44Å; Y348-V352 WeakPolarHBondContact O-CB 3.44Å; Y348-V352 VanDerWaalsContact O-CG2 3.29Å; Y348-V352 WeakPolarHBondContact O-CG2 3.49Å; Y348-V352 PolarHBondContact O-N 3.49Å; E350-V352 PolarHBondContact O-N 3.42Å; V352-M355 HydrophobicContact CB-CE 4.37Å; V352-M355 HydrophobicContact CG2-CE 3.85Å; V352-M355 PolarHBondContact O-N 3.05Å; V352-M356 HydrophobicContact CG1-CG 4.23Å; V352-M356 HydrophobicContact CG1-SD 4.06Å; V352-M356 WeakPolarHBondContact O-CB 3.31Å; V352-M356 WeakPolarHBondContact O-CG 3.44Å; V352-M356 PolarHBondContact O-N 3.19Å; V352-L376 HydrophobicContact CG2-CD1 3.83Å; V352-L376 HydrophobicContact CG2-CD2 3.7Å; V352-L376 HydrophobicContact CG2-CG 4.41Å
353	L	66.8	Low	65.9	Low	93 Å²	93	89.5 Å²	89.5	49%	0.487	48%	0.479	S	S	.	.	H	α-helix	trans	-63.6	-42.4	174.1	-77.4	172.1	0	0	0	112.1	R349 E350 M355 M356 Q357	R349-L353 HydrophobicContact CG-CD1 3.83Å; R349-L353 HydrophobicContact CG-CG 4.32Å; R349-L353 VanDerWaalsContact O-CB 3.29Å; R349-L353 WeakPolarHBondContact O-CB 3.38Å; R349-L353 WeakPolarHBondContact O-CG 3.39Å; R349-L353 PolarHBondContact O-N 3.45Å; E350-L353 PolarHBondContact O-N 2.94Å; L353-M355 VanDerWaalsContact C-N 3.31Å; L353-M355 PolarHBondContact O-N 3.36Å; L353-M356 PolarHBondContact O-N 3.28Å; L353-Q357 WeakPolarHBondContact O-CG 3.43Å; L353-Q357 PolarHBondContact O-N 3.17Å
354	Q	63.4	Low	65.1	Low	139 Å²	139	91.1 Å²	91.1	65%	0.65	48%	0.478	S	S	*	.	H	α-helix	trans	-60.4	-40.5	174.7	-73.4	175.5	-2.4	0	0	111.7	E350 S351 Q357	E350-Q354 WeakPolarHBondContact O-CG 3.43Å; E350-Q354 PolarHBondContact O-N 3.45Å; S351-Q354 PolarHBondContact O-N 3Å; Q354-Q357 PolarHBondContact O-N 3.41Å
355	M	61.4	Low	65	Low	36 Å²	36	92.2 Å²	92.2	18%	0.177	48%	0.484	C	S	.	.	H	α-helix	trans	-69.6	-38.6	176.3	-67.1	-174.7	-64.6	0	0	113.1	F160 S351 V352 L353 Q357 A358 M372 L376	F160-M355 HydrophobicContact CD1-SD 4.1Å; F160-M355 HydrophobicContact CE1-CE 4.46Å; F160-M355 HydrophobicContact CE1-SD 3.29Å; F160-M355 WeakPolarHBondContact CE1-SD 3.34Å; F160-M355 HydrophobicContact CZ-SD 3.92Å; S351-M355 WeakPolarHBondContact O-CG 3.34Å; S351-M355 PolarHBondContact O-N 3.16Å; S351-M355 VanDerWaalsContact O-N 3.14Å; V352-M355 HydrophobicContact CB-CE 4.37Å; V352-M355 HydrophobicContact CG2-CE 3.85Å; V352-M355 PolarHBondContact O-N 3.05Å; L353-M355 VanDerWaalsContact C-N 3.31Å; L353-M355 PolarHBondContact O-N 3.36Å; M355-Q357 PolarHBondContact O-N 3.46Å; M355-A358 WeakPolarHBondContact O-CB 3.49Å; M355-A358 PolarHBondContact O-N 3.37Å; M355-M372 HydrophobicContact CE-CG 4.01Å; M355-M372 HydrophobicContact CE-SD 4.21Å; M355-M372 HydrophobicContact SD-CG 4.37Å; M355-L376 HydrophobicContact CE-CD2 4.02Å; M355-L376 HydrophobicContact CE-CG 4.41Å
356	M	62.6	Low	65.2	Low	114 Å²	114	91.2 Å²	91.2	56%	0.562	48%	0.479	S	S	*	.	H	α-helix	trans	-68.8	-18	178.4	-74.2	-174	71	0	0	113.8	V352 L353 A358	V352-M356 HydrophobicContact CG1-CG 4.23Å; V352-M356 HydrophobicContact CG1-SD 4.06Å; V352-M356 WeakPolarHBondContact O-CB 3.31Å; V352-M356 WeakPolarHBondContact O-CG 3.44Å; V352-M356 PolarHBondContact O-N 3.19Å; L353-M356 PolarHBondContact O-N 3.28Å; M356-A358 PolarHBondContact O-N 3.34Å
357	Q	57.1	Low	65.6	Low	156 Å²	156	88.6 Å²	88.6	73%	0.729	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-9.4	176.1	-74.3	167.8	12.9	0	0	113.5	L353 Q354 M355 G359	L353-Q357 WeakPolarHBondContact O-CG 3.43Å; L353-Q357 PolarHBondContact O-N 3.17Å; Q354-Q357 PolarHBondContact O-N 3.41Å; M355-Q357 PolarHBondContact O-N 3.46Å; Q357-G359 PolarHBondContact O-N 2.77Å
358	A	54.8	Low	66.2	Low	77 Å²	77	83.7 Å²	83.7	64%	0.636	43%	0.432	S	S	*	.	S	Bend	trans	-72.7	25.2	-178.8	0	0	0	0	0	115.9	M355 M356 Q360	M355-A358 WeakPolarHBondContact O-CB 3.49Å; M355-A358 PolarHBondContact O-N 3.37Å; M356-A358 PolarHBondContact O-N 3.34Å; A358-Q360 PolarHBondContact O-N 2.84Å; A358-Q360 VanDerWaalsContact O-N 3.15Å
359	G	52.7	Low	66.8	Low	75 Å²	75	81.1 Å²	81.1	77%	0.773	42%	0.422	S	S	*	.	S	Bend	trans	72.4	7.2	159.8	0	0	0	0	0	118.5	Q357	Q357-G359 PolarHBondContact O-N 2.77Å
360	Q	55.9	Low	67.5	Low	130 Å²	130	74.6 Å²	74.6	61%	0.607	40%	0.398	S	S	*	.	S	Bend	trans	-128.2	152.7	177.9	-68.3	-170.3	-19.7	0	0	112.7	A358 V362	A358-Q360 PolarHBondContact O-N 2.84Å; A358-Q360 VanDerWaalsContact O-N 3.15Å; Q360-V362 PolarHBondContact O-N 3.14Å
361	R	59	Low	68.3	Low	199 Å²	199	68.4 Å²	68.4	75%	0.751	37%	0.369	S	S	*	.			trans	-69.9	92.6	173.1	-71.5	-178.2	178.8	-179.7	1.6	110.2	V363 D364	R361-V363 PolarHBondContact O-N 2.82Å; R361-D364 HydrophobicContact CB-CB 4.33Å; R361-D364 WeakPolarHBondContact CB-OD2 3.32Å; R361-D364 WeakPolarHBondContact CD-OD2 3.38Å; R361-D364 PolarHBondContact O-N 2.9Å
362	V	60.1	Low	69.1	Low	20 Å²	20	66.1 Å²	66.1	12%	0.121	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-51.2	-32.2	-179.2	-177.1	0	0	0	0	113.3	Q360 D364 Y368 L369 M372	Q360-V362 PolarHBondContact O-N 3.14Å; V362-D364 VanDerWaalsContact C-N 3.3Å; V362-D364 PolarHBondContact O-N 3.02Å; V362-Y368 HydrophobicContact CB-CE1 4.4Å; V362-Y368 HydrophobicContact CG1-CD1 3.91Å; V362-Y368 HydrophobicContact CG1-CE1 3.81Å; V362-Y368 HydrophobicContact CG2-CE1 4.01Å; V362-L369 HydrophobicContact CG1-CD1 4.45Å; V362-M372 HydrophobicContact CG1-CE 3.54Å; V362-M372 HydrophobicContact CG1-SD 4.18Å
363	V	62.4	Low	69.7	Low	80 Å²	80	65.7 Å²	65.7	49%	0.485	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-66.1	-29.4	-179.8	-172.1	0	0	0	0	113	V335 R361 N365	V335-V363 HydrophobicContact CG2-CG2 4.37Å; R361-V363 PolarHBondContact O-N 2.82Å; V363-N365 VanDerWaalsContact C-N 3.34Å; V363-N365 PolarHBondContact O-N 2.78Å
364	D	66.1	Low	70.5	Confident	108 Å²	108	61.2 Å²	61.2	58%	0.578	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-84.9	-5.8	-170.5	-60.7	-21.3	0	0	0	113	R361 V362	R361-D364 HydrophobicContact CB-CB 4.33Å; R361-D364 WeakPolarHBondContact CB-OD2 3.32Å; R361-D364 WeakPolarHBondContact CD-OD2 3.38Å; R361-D364 PolarHBondContact O-N 2.9Å; V362-D364 VanDerWaalsContact C-N 3.3Å; V362-D364 PolarHBondContact O-N 3.02Å
365	N	78.6	Confident	71.3	Confident	60 Å²	60	56.5 Å²	56.5	32%	0.321	31%	0.311	S	S	.	.			trans	-121.8	99.6	-179.1	-169.1	-45.1	0	0	0	112.3	V363 I367 Y368 L369	V363-N365 VanDerWaalsContact C-N 3.34Å; V363-N365 PolarHBondContact O-N 2.78Å; N365-I367 VanDerWaalsContact C-N 3.28Å; N365-I367 PolarHBondContact O-N 3.23Å; N365-I367 WeakPolarHBondContact OD1-CB 3.43Å; N365-I367 PolarHBondContact OD1-N 3.15Å; N365-I367 VanDerWaalsContact OD1-N 3.11Å; N365-Y368 PolarHBondContact O-N 3.3Å; N365-Y368 PolarHBondContact OD1-N 3.19Å; N365-L369 PolarHBondContact O-N 2.68Å; N365-L369 VanDerWaalsContact O-N 3.09Å
366	P	80.6	Confident	72.2	Confident	13 Å²	13	55.7 Å²	55.7	8%	0.084	31%	0.307	C	S	.	.	H	α-helix	trans	-56.3	-34.3	-179.7	-29.6	36.6	0	0	0	115.5	F321 V327 T331 S370 I393 L397	F321-P366 HydrophobicContact CE2-CG 4.35Å; V327-P366 HydrophobicContact CG1-CB 4.41Å; V327-P366 HydrophobicContact CG1-CG 3.9Å; T331-P366 HydrophobicContact CG2-CB 4.2Å; T331-P366 HydrophobicContact CG2-CG 4.16Å; P366-S370 PolarHBondContact O-N 2.9Å; P366-I393 HydrophobicContact CB-CG2 3.72Å; P366-L397 HydrophobicContact CB-CD1 4.2Å; P366-L397 HydrophobicContact CB-CD2 4.22Å
367	I	81.7	Confident	73.1	Confident	37 Å²	37	50.6 Å²	50.6	19%	0.19	28%	0.283	C	S	.	.	H	α-helix	trans	-65.9	-54.8	-178.1	-60.7	161.2	0	0	0	109	H318 N365 L369 S370 D371 I393	H318-I367 VanDerWaalsContact NE2-CG2 3.35Å; H318-I367 WeakPolarHBondContact NE2-CG2 3.32Å; N365-I367 VanDerWaalsContact C-N 3.28Å; N365-I367 PolarHBondContact O-N 3.23Å; N365-I367 WeakPolarHBondContact OD1-CB 3.43Å; N365-I367 PolarHBondContact OD1-N 3.15Å; N365-I367 VanDerWaalsContact OD1-N 3.11Å; I367-L369 VanDerWaalsContact C-N 3.29Å; I367-L369 PolarHBondContact O-N 3.4Å; I367-S370 PolarHBondContact O-N 3.41Å; I367-S370 VanDerWaalsContact O-N 3.09Å; I367-S370 PolarHBondContact O-OG 2.97Å; I367-D371 PolarHBondContact O-N 3.15Å; I367-D371 VanDerWaalsContact O-N 3.07Å; I367-I393 HydrophobicContact CD1-CD1 3.89Å; I367-I393 HydrophobicContact CG1-CD1 3.68Å; I367-I393 HydrophobicContact CG1-CG1 3.98Å
368	Y	82.5	Confident	74	Confident	25 Å²	25	46.1 Å²	46.1	10%	0.098	28%	0.278	C	S	.	.	H	α-helix	trans	-64.2	-34.7	-179	-179.5	-121.1	0	0	0	112.2	R159 F160 V362 N365 D371 M372	R159-Y368 HydrophobicContact CB-CE2 4.03Å; F160-Y368 HydrophobicContact CE2-CE2 4.24Å; F160-Y368 HydrophobicContact CZ-CE2 4.47Å; V362-Y368 HydrophobicContact CB-CE1 4.4Å; V362-Y368 HydrophobicContact CG1-CD1 3.91Å; V362-Y368 HydrophobicContact CG1-CE1 3.81Å; V362-Y368 HydrophobicContact CG2-CE1 4.01Å; N365-Y368 PolarHBondContact O-N 3.3Å; N365-Y368 PolarHBondContact OD1-N 3.19Å; Y368-D371 PolarHBondContact O-N 3.49Å; Y368-M372 WeakPolarHBondContact O-CB 3.24Å; Y368-M372 PolarHBondContact O-N 2.9Å
369	L	83.9	Confident	75.2	Confident	1 Å²	1	43.4 Å²	43.4	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-63.4	-39.3	173.1	-171.8	69.8	0	0	0	112.4	T331 I334 V335 I338 V362 N365 I367 M372 G373	T331-L369 HydrophobicContact CG2-CD2 3.75Å; I334-L369 HydrophobicContact CB-CD2 4.03Å; I334-L369 HydrophobicContact CB-CG 4.41Å; I334-L369 HydrophobicContact CG2-CD1 3.98Å; I334-L369 HydrophobicContact CG2-CD2 3.86Å; I334-L369 HydrophobicContact CG2-CG 3.68Å; V335-L369 HydrophobicContact CG2-CD1 3.86Å; V335-L369 HydrophobicContact CG2-CD2 4.11Å; I338-L369 HydrophobicContact CD1-CD1 4.45Å; V362-L369 HydrophobicContact CG1-CD1 4.45Å; N365-L369 PolarHBondContact O-N 2.68Å; N365-L369 VanDerWaalsContact O-N 3.09Å; I367-L369 VanDerWaalsContact C-N 3.29Å; I367-L369 PolarHBondContact O-N 3.4Å; L369-M372 HydrophobicContact CD1-CE 3.81Å; L369-G373 PolarHBondContact O-N 3.34Å
370	S	84.6	Confident	76.8	Confident	2 Å²	2	46.5 Å²	46.5	1%	0.014	25%	0.25	C	S	.	.	H	α-helix	trans	-67.7	-40.2	176.2	70.9	0	0	0	0	112.9	P366 I367 G373 A374	P366-S370 PolarHBondContact O-N 2.9Å; I367-S370 PolarHBondContact O-N 3.41Å; I367-S370 VanDerWaalsContact O-N 3.09Å; I367-S370 PolarHBondContact O-OG 2.97Å; S370-G373 PolarHBondContact O-N 3.33Å; S370-A374 PolarHBondContact O-N 2.97Å
371	D	85.1	Confident	78.1	Confident	5 Å²	5	41.1 Å²	41.1	3%	0.027	23%	0.227	C	C	.	.	H	α-helix	trans	-67.6	-39.5	176.3	-76.3	-42.5	0	0	0	111.8	F157 F160 I367 Y368 A374 A375 R396	F157-D371 HydrophobicContact CB-CB 4.39Å; F157-D371 HydrophobicContact CD1-CB 4.35Å; F157-D371 WeakPolarHBondContact CD1-OD1 3.45Å; F160-D371 HydrophobicContact CE2-CB 4.31Å; I367-D371 PolarHBondContact O-N 3.15Å; I367-D371 VanDerWaalsContact O-N 3.07Å; Y368-D371 PolarHBondContact O-N 3.49Å; D371-A374 PolarHBondContact O-N 2.92Å; D371-A375 VanDerWaalsContact O-CB 3.27Å; D371-A375 WeakPolarHBondContact O-CB 3.5Å; D371-A375 PolarHBondContact O-N 2.7Å; D371-R396 IonicContact OD1-CZ 2.77Å; D371-R396 IonicContact OD1-NH2 3.82Å; D371-R396 PolarHBondContact OD1-NH2 3.48Å; D371-R396 IonicContact OD2-CZ 3.25Å; D371-R396 IonicContact OD2-NH2 2.82Å; D371-R396 PolarHBondContact OD2-NH2 3.43Å
372	M	82.2	Confident	79.4	Confident	9 Å²	9	37.4 Å²	37.4	4%	0.044	22%	0.218	C	C	.	.	H	α-helix	trans	-68.2	-35.7	172.8	-172.4	-179.7	62.9	0	0	112.9	F160 I338 M355 V362 Y368 L369 L376	F160-M372 HydrophobicContact CZ-CB 3.95Å; F160-M372 HydrophobicContact CZ-CG 4.24Å; I338-M372 HydrophobicContact CD1-CE 4.11Å; M355-M372 HydrophobicContact CE-CG 4.01Å; M355-M372 HydrophobicContact CE-SD 4.21Å; M355-M372 HydrophobicContact SD-CG 4.37Å; V362-M372 HydrophobicContact CG1-CE 3.54Å; V362-M372 HydrophobicContact CG1-SD 4.18Å; Y368-M372 WeakPolarHBondContact O-CB 3.24Å; Y368-M372 PolarHBondContact O-N 2.9Å; L369-M372 HydrophobicContact CD1-CE 3.81Å; M372-L376 HydrophobicContact CG-CD1 4.19Å; M372-L376 WeakPolarHBondContact O-CD1 3.31Å; M372-L376 VanDerWaalsContact O-CG 3.31Å; M372-L376 WeakPolarHBondContact O-CG 3.31Å; M372-L376 PolarHBondContact O-N 2.67Å
373	G	81.9	Confident	80.8	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-60	-50	172.8	0	0	0	0	0	111.9	L369 S370 L376 T377	L369-G373 PolarHBondContact O-N 3.34Å; S370-G373 PolarHBondContact O-N 3.33Å; G373-L376 PolarHBondContact O-N 2.61Å; G373-T377 WeakPolarHBondContact O-CG2 3.29Å
374	A	83.8	Confident	81.9	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-65.2	-44.8	178.5	0	0	0	0	0	112.7	F157 S370 D371 L376 T377 L384 V387	F157-A374 HydrophobicContact CE1-CB 4.04Å; F157-A374 HydrophobicContact CE2-CB 3.8Å; F157-A374 HydrophobicContact CZ-CB 3.49Å; F157-A374 VanDerWaalsContact CZ-CB 3.49Å; S370-A374 PolarHBondContact O-N 2.97Å; D371-A374 PolarHBondContact O-N 2.92Å; A374-L376 PolarHBondContact O-N 2.77Å; A374-L376 VanDerWaalsContact O-N 3.17Å; A374-T377 PolarHBondContact O-N 3.17Å; A374-T377 PolarHBondContact O-OG1 3.02Å; A374-L384 HydrophobicContact CB-CD2 4.07Å; A374-V387 HydrophobicContact CB-CB 4.33Å; A374-V387 HydrophobicContact CB-CG1 3.96Å
375	A	80.8	Confident	83	Confident	40 Å²	40	30.6 Å²	30.6	33%	0.331	18%	0.176	S	C	.	.	H	α-helix	trans	-64.5	-18.4	-178.4	0	0	0	0	0	114.9	F157 F160 D371	F157-A375 HydrophobicContact CD2-CB 3.94Å; F160-A375 HydrophobicContact CD1-CB 3.52Å; F160-A375 HydrophobicContact CD2-CB 4.34Å; F160-A375 HydrophobicContact CE1-CB 3.25Å; F160-A375 HydrophobicContact CE2-CB 4.18Å; F160-A375 HydrophobicContact CG-CB 4.1Å; F160-A375 HydrophobicContact CZ-CB 3.69Å; D371-A375 VanDerWaalsContact O-CB 3.27Å; D371-A375 WeakPolarHBondContact O-CB 3.5Å; D371-A375 PolarHBondContact O-N 2.7Å
376	L	80.2	Confident	83.5	Confident	19 Å²	19	31.8 Å²	31.8	10%	0.099	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-13.6	173.9	-73.1	168.8	0	0	0	113.8	I338 Y348 V352 M355 M372 G373 A374	I338-L376 HydrophobicContact CD1-CD1 4.36Å; I338-L376 HydrophobicContact CG1-CD1 4.35Å; I338-L376 HydrophobicContact CG2-CD1 4.04Å; Y348-L376 HydrophobicContact CD1-CD2 4.01Å; Y348-L376 WeakPolarHBondContact CE1-O 3.43Å; V352-L376 HydrophobicContact CG2-CD1 3.83Å; V352-L376 HydrophobicContact CG2-CD2 3.7Å; V352-L376 HydrophobicContact CG2-CG 4.41Å; M355-L376 HydrophobicContact CE-CD2 4.02Å; M355-L376 HydrophobicContact CE-CG 4.41Å; M372-L376 HydrophobicContact CG-CD1 4.19Å; M372-L376 WeakPolarHBondContact O-CD1 3.31Å; M372-L376 VanDerWaalsContact O-CG 3.31Å; M372-L376 WeakPolarHBondContact O-CG 3.31Å; M372-L376 PolarHBondContact O-N 2.67Å; G373-L376 PolarHBondContact O-N 2.61Å; A374-L376 PolarHBondContact O-N 2.77Å; A374-L376 VanDerWaalsContact O-N 3.17Å
377	T	80.4	Confident	83.9	Confident	7 Å²	7	31.1 Å²	31.1	4%	0.043	18%	0.178	C	C	.	.			trans	-100	139.4	-174.1	61.4	0	0	0	0	112.7	G373 A374 A379 L403 L404 E407	G373-T377 WeakPolarHBondContact O-CG2 3.29Å; A374-T377 PolarHBondContact O-N 3.17Å; A374-T377 PolarHBondContact O-OG1 3.02Å; T377-A379 PolarHBondContact O-N 2.83Å; T377-L403 HydrophobicContact CG2-CB 4.04Å; T377-L404 HydrophobicContact CG2-CD2 3.83Å; T377-L404 HydrophobicContact CG2-CG 4.11Å; T377-E407 HydrophobicContact CG2-CB 3.9Å; T377-E407 HydrophobicContact CG2-CG 4.34Å
378	G	76.2	Confident	84.1	Confident	61 Å²	61	29.4 Å²	29.4	63%	0.629	17%	0.17	S	C	*	.			trans	-83.2	35.5	172.1	0	0	0	0	0	113.3	E407	G378-E407 PolarHBondContact N-OE2 3.27Å
379	A	81.5	Confident	84.3	Confident	21 Å²	21	31.2 Å²	31.2	17%	0.174	18%	0.179	C	C	.	.			trans	-68.9	168.2	-176.1	0	0	0	0	0	113	T377 L384 L403	T377-A379 PolarHBondContact O-N 2.83Å; A379-L384 HydrophobicContact CB-CD2 4.05Å; A379-L384 HydrophobicContact CB-CG 4.15Å; A379-L403 HydrophobicContact CB-CB 4.43Å; A379-L403 HydrophobicContact CB-CD1 3.95Å; A379-L403 HydrophobicContact CB-CD2 4.03Å; A379-L403 HydrophobicContact CB-CG 4.34Å
380	E	85	Confident	84.6	Confident	140 Å²	140	32.7 Å²	32.7	65%	0.654	19%	0.186	S	C	*	.			trans	-67.4	149.4	179.6	-64.5	-176.2	176.4	0	0	111.5	Q382 E383 L384	E380-Q382 VanDerWaalsContact C-N 3.27Å; E380-Q382 PolarHBondContact O-N 3.17Å; E380-E383 HydrophobicContact CB-CG 4.47Å; E380-E383 PolarHBondContact O-N 3.49Å; E380-L384 PolarHBondContact O-N 3.29Å; E380-L384 VanDerWaalsContact O-N 3.11Å
381	S	83.9	Confident	84.6	Confident	17 Å²	17	34.6 Å²	34.6	12%	0.119	20%	0.197	C	C	.	.	H	α-helix	trans	-53.2	-44.2	-173.7	47.4	0	0	0	0	112.8	R153 M190 D194 L384 Q385	R153-S381 VanDerWaalsContact O-CA 3.28Å; R153-S381 WeakPolarHBondContact O-CA 3.35Å; R153-S381 WeakPolarHBondContact O-CB 3.44Å; M190-S381 WeakPolarHBondContact CE-O 3.42Å; D194-S381 WeakPolarHBondContact OD2-CB 3.36Å; D194-S381 PolarHBondContact OD2-OG 3.49Å; S381-L384 PolarHBondContact O-N 3.49Å; S381-Q385 WeakPolarHBondContact O-CB 3.42Å; S381-Q385 PolarHBondContact O-N 2.97Å
382	Q	86.3	Confident	84.6	Confident	120 Å²	120	36.2 Å²	36.2	56%	0.561	21%	0.206	S	C	*	.	H	α-helix	trans	-61.8	-44.2	177.3	-58.3	-178.2	2.6	0	0	112	E380 L384 Q385 D386	E380-Q382 VanDerWaalsContact C-N 3.27Å; E380-Q382 PolarHBondContact O-N 3.17Å; Q382-L384 PolarHBondContact O-N 2.9Å; Q382-Q385 PolarHBondContact O-N 3.05Å; Q382-D386 WeakPolarHBondContact O-CB 3.44Å; Q382-D386 PolarHBondContact O-N 3.14Å
383	E	88.3	Confident	84.7	Confident	60 Å²	60	36 Å²	36	28%	0.28	21%	0.205	S	C	.	.	H	α-helix	trans	-68.5	-33.1	-179.7	-61.8	-164.5	129	0	0	112.9	E380 D386 V387 L403 K406	E380-E383 HydrophobicContact CB-CG 4.47Å; E380-E383 PolarHBondContact O-N 3.49Å; E383-D386 WeakPolarHBondContact O-CB 3.47Å; E383-V387 PolarHBondContact O-N 3.47Å; E383-L403 HydrophobicContact CB-CD1 4.37Å; E383-L403 HydrophobicContact CB-CD2 3.93Å; E383-L403 HydrophobicContact CG-CD2 4.46Å; E383-L403 VanDerWaalsContact OE2-CD2 3.31Å; E383-L403 WeakPolarHBondContact OE2-CD2 3.49Å; E383-K406 IonicContact OE1-NZ 2.72Å; E383-K406 PolarHBondContact OE1-NZ 3.27Å; E383-K406 IonicContact OE2-NZ 2.65Å; E383-K406 PolarHBondContact OE2-NZ 2.61Å
384	L	87.2	Confident	84.9	Confident	3 Å²	3	38 Å²	38	2%	0.016	22%	0.218	C	C	.	.	H	α-helix	trans	-70.7	-41	174.1	-66.5	175.5	0	0	0	111.6	P155 F157 A374 A379 E380 S381 Q382 D386 V387 L388 L403	P155-L384 HydrophobicContact CG-CB 3.83Å; F157-L384 HydrophobicContact CE2-CD2 4.27Å; F157-L384 HydrophobicContact CZ-CB 4.22Å; F157-L384 HydrophobicContact CZ-CD2 4.33Å; A374-L384 HydrophobicContact CB-CD2 4.07Å; A379-L384 HydrophobicContact CB-CD2 4.05Å; A379-L384 HydrophobicContact CB-CG 4.15Å; E380-L384 PolarHBondContact O-N 3.29Å; E380-L384 VanDerWaalsContact O-N 3.11Å; S381-L384 PolarHBondContact O-N 3.49Å; Q382-L384 PolarHBondContact O-N 2.9Å; L384-D386 VanDerWaalsContact C-N 3.32Å; L384-V387 PolarHBondContact O-N 2.92Å; L384-L388 PolarHBondContact O-N 3.43Å; L384-L388 VanDerWaalsContact O-N 3.14Å; L384-L403 HydrophobicContact CD2-CD1 4.07Å
385	Q	88.5	Confident	85.1	Confident	2 Å²	2	43.9 Å²	43.9	1%	0.009	24%	0.243	C	C	.	.	H	α-helix	trans	-64.7	-38.2	174.5	-173.4	66.2	17.1	0	0	111.2	M190 Y208 T210 S381 Q382 V387 L388 E389	M190-Q385 HydrophobicContact CE-CB 3.7Å; M190-Q385 HydrophobicContact CE-CG 4.13Å; M190-Q385 HydrophobicContact SD-CB 4.45Å; Y208-Q385 VanDerWaalsContact CB-NE2 3.35Å; Y208-Q385 HydrophobicContact CD1-CG 3.58Å; Y208-Q385 HydrophobicContact CD2-CG 4.22Å; Y208-Q385 HydrophobicContact CE1-CG 3.89Å; Y208-Q385 HydrophobicContact CE2-CG 4.49Å; Y208-Q385 HydrophobicContact CG-CG 3.76Å; T210-Q385 PolarHBondContact O-NE2 3.34Å; S381-Q385 WeakPolarHBondContact O-CB 3.42Å; S381-Q385 PolarHBondContact O-N 2.97Å; Q382-Q385 PolarHBondContact O-N 3.05Å; Q385-V387 PolarHBondContact O-N 3.07Å; Q385-L388 CarbonylContact O-C 3.58Å; Q385-L388 WeakPolarHBondContact O-CA 3.4Å; Q385-L388 WeakPolarHBondContact O-CB 3.33Å; Q385-L388 PolarHBondContact O-N 3.32Å; Q385-E389 HydrophobicContact CG-CG 4.14Å; Q385-E389 PolarHBondContact NE2-OE1 3.22Å; Q385-E389 WeakPolarHBondContact O-CG 3.29Å; Q385-E389 PolarHBondContact O-N 2.99Å
386	D	88.5	Confident	85.4	Confident	85 Å²	85	42 Å²	42	46%	0.455	23%	0.228	S	C	.	.	H	α-helix	trans	-57.9	-29.5	174	-116.2	26.9	0	0	0	113.6	Q382 E383 L384 K399	Q382-D386 WeakPolarHBondContact O-CB 3.44Å; Q382-D386 PolarHBondContact O-N 3.14Å; E383-D386 WeakPolarHBondContact O-CB 3.47Å; L384-D386 VanDerWaalsContact C-N 3.32Å; D386-K399 HydrophobicContact CB-CD 4.42Å; D386-K399 WeakPolarHBondContact O-CD 3.37Å; D386-K399 PolarHBondContact O-NZ 2.76Å; D386-K399 IonicContact OD1-NZ 2.72Å; D386-K399 WeakPolarHBondContact OD2-CE 3.12Å; D386-K399 IonicContact OD2-NZ 2.89Å; D386-K399 PolarHBondContact OD2-NZ 2.9Å
387	V	88.6	Confident	85.8	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-81.2	-32.4	171.7	176.7	0	0	0	0	111.6	F157 A374 E383 L384 Q385 R396 K399 L403	F157-V387 HydrophobicContact CE1-CG1 4.39Å; A374-V387 HydrophobicContact CB-CB 4.33Å; A374-V387 HydrophobicContact CB-CG1 3.96Å; E383-V387 PolarHBondContact O-N 3.47Å; L384-V387 PolarHBondContact O-N 2.92Å; Q385-V387 PolarHBondContact O-N 3.07Å; V387-R396 HydrophobicContact CG1-CG 3.98Å; V387-R396 PolarHBondContact O-NE 3.15Å; V387-K399 HydrophobicContact CG2-CB 3.75Å; V387-L403 HydrophobicContact CG2-CD1 4.14Å
388	L	86.2	Confident	86.2	Confident	1 Å²	1	48.5 Å²	48.5	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-71.2	-38.6	177.6	-168	72.2	0	0	0	112	P155 F157 R235 L384 Q385	P155-L388 HydrophobicContact CB-CD2 4.17Å; F157-L388 HydrophobicContact CD1-CD1 3.73Å; F157-L388 HydrophobicContact CE1-CB 4.08Å; F157-L388 HydrophobicContact CE1-CD1 3.96Å; R235-L388 WeakPolarHBondContact CD-O 3.26Å; R235-L388 HydrophobicContact CG-CD1 4.02Å; R235-L388 PolarHBondContact NH1-O 2.9Å; L384-L388 PolarHBondContact O-N 3.43Å; L384-L388 VanDerWaalsContact O-N 3.14Å; Q385-L388 CarbonylContact O-C 3.58Å; Q385-L388 WeakPolarHBondContact O-CA 3.4Å; Q385-L388 WeakPolarHBondContact O-CB 3.33Å; Q385-L388 PolarHBondContact O-N 3.32Å
389	E	87.8	Confident	86.9	Confident	62 Å²	62	48.1 Å²	48.1	29%	0.29	23%	0.232	S	C	.	.	H	α-helix	trans	-79.8	-28	-175.5	-62.4	-158.9	166.9	0	0	113.9	T210 Q385 T391	T210-E389 HydrophobicContact CG2-CG 4.29Å; Q385-E389 HydrophobicContact CG-CG 4.14Å; Q385-E389 PolarHBondContact NE2-OE1 3.22Å; Q385-E389 WeakPolarHBondContact O-CG 3.29Å; Q385-E389 PolarHBondContact O-N 2.99Å; E389-T391 PolarHBondContact O-N 3.03Å
390	E	88.9	Confident	87.3	Confident	33 Å²	33	47.1 Å²	47.1	15%	0.154	22%	0.224	C	C	.	.			trans	-60.1	121.3	-175	-167.5	76.6	-134.7	0	0	112.3	R235 N392 K395 R396 K399	R235-E390 PolarHBondContact NH1-O 2.95Å; E390-N392 HydrophobicContact CG-CB 4.48Å; E390-N392 WeakPolarHBondContact CG-O 3.3Å; E390-K395 HydrophobicContact CG-CB 4.07Å; E390-K395 VanDerWaalsContact OE1-CD 3.29Å; E390-K395 WeakPolarHBondContact OE1-CD 3.48Å; E390-R396 HydrophobicContact CB-CB 4.07Å; E390-R396 HydrophobicContact CB-CG 4.15Å; E390-R396 HydrophobicContact CG-CB 3.88Å; E390-K399 WeakPolarHBondContact OE2-CE 3.26Å; E390-K399 IonicContact OE2-NZ 3.24Å; E390-K399 PolarHBondContact OE2-NZ 2.78Å
391	T	84.4	Confident	87.5	Confident	41 Å²	41	41.2 Å²	41.2	25%	0.252	20%	0.197	S	C	.	.			trans	-80.8	-32.4	173.6	42.9	0	0	0	0	112.2	E319 E389	E319-T391 WeakPolarHBondContact OE1-CB 3.21Å; E319-T391 PolarHBondContact OE1-OG1 2.7Å; E389-T391 PolarHBondContact O-N 3.03Å
392	N	86.6	Confident	87.8	Confident	40 Å²	40	43.1 Å²	43.1	21%	0.214	21%	0.21	C	C	.	.			trans	-85.3	114.7	-173.4	-168.6	-90.9	0	0	0	112.4	E319 E390 P394 K395 R396	E319-N392 WeakPolarHBondContact OE2-CB 3.44Å; E319-N392 PolarHBondContact OE2-ND2 3.09Å; E390-N392 HydrophobicContact CG-CB 4.48Å; E390-N392 WeakPolarHBondContact CG-O 3.3Å; N392-P394 WeakPolarHBondContact OD1-CD 3.31Å; N392-K395 HydrophobicContact CB-CB 4.41Å; N392-K395 HydrophobicContact CB-CD 4.09Å; N392-K395 HydrophobicContact CB-CG 4.45Å; N392-K395 PolarHBondContact O-N 3.09Å; N392-K395 WeakPolarHBondContact OD1-CG 3.47Å; N392-R396 WeakPolarHBondContact O-CB 3.25Å; N392-R396 PolarHBondContact O-N 3.22Å
393	I	84.8	Confident	88	Confident	5 Å²	5	37.7 Å²	37.7	3%	0.026	19%	0.185	C	C	.	.	H	α-helix	trans	-66.5	-44.4	-168.5	-70.8	160.7	0	0	0	114.3	F321 P366 I367 K395 R396 L397	F321-I393 HydrophobicContact CB-CD1 4.45Å; F321-I393 HydrophobicContact CD1-CD1 3.34Å; F321-I393 HydrophobicContact CD2-CD1 4.25Å; F321-I393 HydrophobicContact CD2-CG2 4.45Å; F321-I393 HydrophobicContact CE1-CD1 3.47Å; F321-I393 VanDerWaalsContact CE1-CD1 3.47Å; F321-I393 HydrophobicContact CE2-CD1 4.35Å; F321-I393 HydrophobicContact CE2-CG2 4.43Å; F321-I393 HydrophobicContact CG-CD1 3.76Å; F321-I393 HydrophobicContact CZ-CD1 3.99Å; P366-I393 HydrophobicContact CB-CG2 3.72Å; I367-I393 HydrophobicContact CD1-CD1 3.89Å; I367-I393 HydrophobicContact CG1-CD1 3.68Å; I367-I393 HydrophobicContact CG1-CG1 3.98Å; I393-K395 PolarHBondContact O-N 3.35Å; I393-R396 PolarHBondContact O-N 3.22Å; I393-L397 HydrophobicContact CG2-CD1 4.28Å; I393-L397 HydrophobicContact CG2-CG 4.48Å; I393-L397 WeakPolarHBondContact O-CG 3.46Å; I393-L397 PolarHBondContact O-N 3.11Å
394	P	85.2	Confident	88.1	Confident	40 Å²	40	34.9 Å²	34.9	26%	0.26	17%	0.172	S	C	.	.	H	α-helix	trans	-56.1	-45.8	174.4	-27	34.6	0	0	0	113.5	V327 N392 R396 L397 Y398	V327-P394 HydrophobicContact CG2-CB 4.5Å; V327-P394 HydrophobicContact CG2-CG 3.93Å; N392-P394 WeakPolarHBondContact OD1-CD 3.31Å; P394-R396 PolarHBondContact O-N 3.04Å; P394-L397 PolarHBondContact O-N 3.36Å; P394-Y398 PolarHBondContact O-N 3.46Å; P394-Y398 VanDerWaalsContact O-N 3.1Å
395	K	86.9	Confident	88.2	Confident	124 Å²	124	39.1 Å²	39.1	54%	0.539	19%	0.19	S	C	.	.	H	α-helix	trans	-62.8	-41.9	176.2	-68.9	177.7	-176	174.4	0	112	E390 N392 I393 Y398 K399	E390-K395 HydrophobicContact CG-CB 4.07Å; E390-K395 VanDerWaalsContact OE1-CD 3.29Å; E390-K395 WeakPolarHBondContact OE1-CD 3.48Å; N392-K395 HydrophobicContact CB-CB 4.41Å; N392-K395 HydrophobicContact CB-CD 4.09Å; N392-K395 HydrophobicContact CB-CG 4.45Å; N392-K395 PolarHBondContact O-N 3.09Å; N392-K395 WeakPolarHBondContact OD1-CG 3.47Å; I393-K395 PolarHBondContact O-N 3.35Å; K395-Y398 PolarHBondContact O-N 2.86Å; K395-K399 PolarHBondContact O-N 3.15Å
396	R	88.4	Confident	88.2	Confident	1 Å²	1	43.9 Å²	43.9	0%	0.004	21%	0.211	C	C	.	.	H	α-helix	trans	-64.6	-40.6	179.3	-164.7	175.9	179.1	-170.5	-8.3	112.7	R235 H318 D371 V387 E390 N392 I393 P394 A400	R235-R396 VanDerWaalsContact NH1-NH1 3.2Å; H318-R396 PolarHBondContact NE2-NH1 3.41Å; D371-R396 IonicContact OD1-CZ 2.77Å; D371-R396 IonicContact OD1-NH2 3.82Å; D371-R396 PolarHBondContact OD1-NH2 3.48Å; D371-R396 IonicContact OD2-CZ 3.25Å; D371-R396 IonicContact OD2-NH2 2.82Å; D371-R396 PolarHBondContact OD2-NH2 3.43Å; V387-R396 HydrophobicContact CG1-CG 3.98Å; V387-R396 PolarHBondContact O-NE 3.15Å; E390-R396 HydrophobicContact CB-CB 4.07Å; E390-R396 HydrophobicContact CB-CG 4.15Å; E390-R396 HydrophobicContact CG-CB 3.88Å; N392-R396 WeakPolarHBondContact O-CB 3.25Å; N392-R396 PolarHBondContact O-N 3.22Å; I393-R396 PolarHBondContact O-N 3.22Å; P394-R396 PolarHBondContact O-N 3.04Å; R396-A400 WeakPolarHBondContact O-CB 3.5Å; R396-A400 PolarHBondContact O-N 3.14Å
397	L	87.8	Confident	88.1	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-60.3	-45	171	-71.4	169	0	0	0	111.3	V327 L330 T331 I334 P366 I393 P394 A400 L401	V327-L397 HydrophobicContact CG1-CD1 4.03Å; V327-L397 HydrophobicContact CG2-CD1 4.48Å; L330-L397 HydrophobicContact CB-CB 4.17Å; L330-L397 HydrophobicContact CB-CD1 4.12Å; L330-L397 HydrophobicContact CD1-CB 4.09Å; L330-L397 HydrophobicContact CD1-CD1 4.39Å; T331-L397 HydrophobicContact CG2-CD1 4.22Å; T331-L397 HydrophobicContact CG2-CD2 4.01Å; I334-L397 HydrophobicContact CD1-CB 4.15Å; I334-L397 HydrophobicContact CD1-CD2 3.65Å; P366-L397 HydrophobicContact CB-CD1 4.2Å; P366-L397 HydrophobicContact CB-CD2 4.22Å; I393-L397 HydrophobicContact CG2-CD1 4.28Å; I393-L397 HydrophobicContact CG2-CG 4.48Å; I393-L397 WeakPolarHBondContact O-CG 3.46Å; I393-L397 PolarHBondContact O-N 3.11Å; P394-L397 PolarHBondContact O-N 3.36Å; L397-A400 PolarHBondContact O-N 2.78Å; L397-L401 WeakPolarHBondContact O-CB 3.39Å; L397-L401 PolarHBondContact O-N 3.34Å
398	Y	90.3	Very high	88.1	Confident	162 Å²	162	43.6 Å²	43.6	64%	0.635	20%	0.204	S	C	*	.	H	α-helix	trans	-63.9	-44.2	179.5	-168.4	-88.4	0	0	0	112.2	L330 P394 K395 L401 S402	L330-Y398 HydrophobicContact CD2-CD2 4.3Å; P394-Y398 PolarHBondContact O-N 3.46Å; P394-Y398 VanDerWaalsContact O-N 3.1Å; K395-Y398 PolarHBondContact O-N 2.86Å; Y398-L401 PolarHBondContact O-N 3.15Å; Y398-S402 PolarHBondContact O-N 3.21Å
399	K	89.6	Confident	88.1	Confident	54 Å²	54	48 Å²	48	24%	0.235	23%	0.225	C	C	.	.	H	α-helix	trans	-55.2	-54.6	171.4	-76.9	176	159	173.6	0	111	D386 V387 E390 K395 L401 S402 L403	D386-K399 HydrophobicContact CB-CD 4.42Å; D386-K399 WeakPolarHBondContact O-CD 3.37Å; D386-K399 PolarHBondContact O-NZ 2.76Å; D386-K399 IonicContact OD1-NZ 2.72Å; D386-K399 WeakPolarHBondContact OD2-CE 3.12Å; D386-K399 IonicContact OD2-NZ 2.89Å; D386-K399 PolarHBondContact OD2-NZ 2.9Å; V387-K399 HydrophobicContact CG2-CB 3.75Å; E390-K399 WeakPolarHBondContact OE2-CE 3.26Å; E390-K399 IonicContact OE2-NZ 3.24Å; E390-K399 PolarHBondContact OE2-NZ 2.78Å; K395-K399 PolarHBondContact O-N 3.15Å; K399-L401 PolarHBondContact O-N 3Å; K399-S402 VanDerWaalsContact O-CB 3.3Å; K399-S402 WeakPolarHBondContact O-CB 3.48Å; K399-S402 PolarHBondContact O-N 2.68Å; K399-S402 VanDerWaalsContact O-N 3.13Å; K399-L403 PolarHBondContact O-N 3.38Å
400	A	89.9	Confident	88.1	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-60.6	-39.7	-179.3	0	0	0	0	0	113.4	R396 L397 S402 L403 L404	R396-A400 WeakPolarHBondContact O-CB 3.5Å; R396-A400 PolarHBondContact O-N 3.14Å; L397-A400 PolarHBondContact O-N 2.78Å; A400-S402 VanDerWaalsContact C-N 3.33Å; A400-S402 PolarHBondContact O-N 2.9Å; A400-L403 PolarHBondContact O-N 3.45Å; A400-L404 WeakPolarHBondContact O-CG 3.1Å; A400-L404 PolarHBondContact O-N 2.93Å; A400-L404 VanDerWaalsContact O-N 3.09Å
401	L	89.8	Confident	87.9	Confident	15 Å²	15	47.6 Å²	47.6	8%	0.079	23%	0.226	C	C	.	.	H	α-helix	trans	-64.6	-35.9	175.8	179.9	57.5	0	0	0	112.5	L330 E333 I334 T337 L397 Y398 K399 K405	L330-L401 HydrophobicContact CD2-CD2 3.88Å; E333-L401 HydrophobicContact CB-CD2 4.36Å; E333-L401 HydrophobicContact CG-CD1 3.93Å; E333-L401 HydrophobicContact CG-CD2 3.94Å; I334-L401 HydrophobicContact CD1-CB 4.22Å; I334-L401 HydrophobicContact CG1-CB 3.78Å; I334-L401 HydrophobicContact CG1-CD1 3.84Å; I334-L401 HydrophobicContact CG1-CG 4.25Å; T337-L401 HydrophobicContact CG2-CD1 4.17Å; L397-L401 WeakPolarHBondContact O-CB 3.39Å; L397-L401 PolarHBondContact O-N 3.34Å; Y398-L401 PolarHBondContact O-N 3.15Å; K399-L401 PolarHBondContact O-N 3Å; L401-K405 HydrophobicContact CD1-CD 4.38Å; L401-K405 HydrophobicContact CD1-CG 4.4Å; L401-K405 PolarHBondContact O-N 3.32Å
402	S	90.8	Very high	88	Confident	57 Å²	57	48.4 Å²	48.4	40%	0.399	23%	0.226	S	C	.	.	H	α-helix	trans	-60.9	-48.2	174.8	-170.4	0	0	0	0	111.1	Y398 K399 A400 L404 K405 K406	Y398-S402 PolarHBondContact O-N 3.21Å; K399-S402 VanDerWaalsContact O-CB 3.3Å; K399-S402 WeakPolarHBondContact O-CB 3.48Å; K399-S402 PolarHBondContact O-N 2.68Å; K399-S402 VanDerWaalsContact O-N 3.13Å; A400-S402 VanDerWaalsContact C-N 3.33Å; A400-S402 PolarHBondContact O-N 2.9Å; S402-L404 PolarHBondContact O-N 3.1Å; S402-K405 PolarHBondContact O-N 3.14Å; S402-K406 PolarHBondContact O-N 2.73Å; S402-K406 VanDerWaalsContact O-N 3.08Å
403	L	89.9	Confident	88	Confident	7 Å²	7	51.1 Å²	51.1	4%	0.037	24%	0.24	C	C	.	.	H	α-helix	trans	-62.6	-43.6	179	-54.3	-173.4	0	0	0	112	T377 A379 E383 L384 V387 K399 A400 K405 K406 E407	T377-L403 HydrophobicContact CG2-CB 4.04Å; A379-L403 HydrophobicContact CB-CB 4.43Å; A379-L403 HydrophobicContact CB-CD1 3.95Å; A379-L403 HydrophobicContact CB-CD2 4.03Å; A379-L403 HydrophobicContact CB-CG 4.34Å; E383-L403 HydrophobicContact CB-CD1 4.37Å; E383-L403 HydrophobicContact CB-CD2 3.93Å; E383-L403 HydrophobicContact CG-CD2 4.46Å; E383-L403 VanDerWaalsContact OE2-CD2 3.31Å; E383-L403 WeakPolarHBondContact OE2-CD2 3.49Å; L384-L403 HydrophobicContact CD2-CD1 4.07Å; V387-L403 HydrophobicContact CG2-CD1 4.14Å; K399-L403 PolarHBondContact O-N 3.38Å; A400-L403 PolarHBondContact O-N 3.45Å; L403-K405 VanDerWaalsContact C-N 3.3Å; L403-K405 PolarHBondContact O-N 2.97Å; L403-K406 WeakPolarHBondContact O-CB 3.06Å; L403-K406 PolarHBondContact O-N 3.1Å; L403-K406 VanDerWaalsContact O-N 3.16Å; L403-E407 PolarHBondContact O-N 2.69Å
404	L	89.1	Confident	87.9	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-60.5	-37.6	175.8	-74.9	165.9	0	0	0	112.5	I334 I338 I341 T377 A400 S402 E407 Y408	I334-L404 HydrophobicContact CG2-CD1 3.73Å; I338-L404 HydrophobicContact CD1-CD1 4.08Å; I338-L404 HydrophobicContact CG1-CD1 3.81Å; I338-L404 HydrophobicContact CG1-CD2 3.77Å; I338-L404 HydrophobicContact CG1-CG 4.45Å; I341-L404 HydrophobicContact CD1-CB 4.49Å; I341-L404 HydrophobicContact CD1-CD2 3.78Å; T377-L404 HydrophobicContact CG2-CD2 3.83Å; T377-L404 HydrophobicContact CG2-CG 4.11Å; A400-L404 WeakPolarHBondContact O-CG 3.1Å; A400-L404 PolarHBondContact O-N 2.93Å; A400-L404 VanDerWaalsContact O-N 3.09Å; S402-L404 PolarHBondContact O-N 3.1Å; L404-E407 PolarHBondContact O-N 2.72Å; L404-Y408 WeakPolarHBondContact O-CB 3.19Å; L404-Y408 PolarHBondContact O-N 3.49Å
405	K	90.4	Very high	87.9	Confident	93 Å²	93	57.3 Å²	57.3	40%	0.404	27%	0.265	S	S	.	.	H	α-helix	trans	-71.1	-31.3	176.2	-75.2	-175.8	172.4	-179.3	0	112.9	E333 T337 L401 S402 L403 E409	E333-K405 WeakPolarHBondContact OE1-CE 3.4Å; E333-K405 IonicContact OE1-NZ 3.1Å; E333-K405 PolarHBondContact OE1-NZ 3.25Å; T337-K405 HydrophobicContact CG2-CG 4.06Å; L401-K405 HydrophobicContact CD1-CD 4.38Å; L401-K405 HydrophobicContact CD1-CG 4.4Å; L401-K405 PolarHBondContact O-N 3.32Å; S402-K405 PolarHBondContact O-N 3.14Å; L403-K405 VanDerWaalsContact C-N 3.3Å; L403-K405 PolarHBondContact O-N 2.97Å; K405-E409 PolarHBondContact O-N 2.71Å
406	K	88.9	Confident	87.8	Confident	102 Å²	102	58.9 Å²	58.9	44%	0.443	27%	0.268	S	S	.	.	H	α-helix	trans	-62.8	-50.7	168.3	-63.2	-177.3	-173.1	-174.2	0	111.1	E383 S402 L403 Y408 E409 L410	E383-K406 IonicContact OE1-NZ 2.72Å; E383-K406 PolarHBondContact OE1-NZ 3.27Å; E383-K406 IonicContact OE2-NZ 2.65Å; E383-K406 PolarHBondContact OE2-NZ 2.61Å; S402-K406 PolarHBondContact O-N 2.73Å; S402-K406 VanDerWaalsContact O-N 3.08Å; L403-K406 WeakPolarHBondContact O-CB 3.06Å; L403-K406 PolarHBondContact O-N 3.1Å; L403-K406 VanDerWaalsContact O-N 3.16Å; K406-Y408 VanDerWaalsContact C-N 3.31Å; K406-Y408 PolarHBondContact O-N 3.17Å; K406-E409 PolarHBondContact O-N 3.49Å; K406-L410 WeakPolarHBondContact O-CB 3.41Å; K406-L410 PolarHBondContact O-N 3.49Å
407	E	86.5	Confident	87.5	Confident	12 Å²	12	63 Å²	63	6%	0.056	29%	0.29	C	S	.	.	H	α-helix	trans	-63	-35.5	-177.7	-169.9	62.4	-105.8	0	0	112.8	I341 T377 G378 L403 L404 L410 S411	I341-E407 HydrophobicContact CD1-CB 4.42Å; T377-E407 HydrophobicContact CG2-CB 3.9Å; T377-E407 HydrophobicContact CG2-CG 4.34Å; G378-E407 PolarHBondContact N-OE2 3.27Å; L403-E407 PolarHBondContact O-N 2.69Å; L404-E407 PolarHBondContact O-N 2.72Å; E407-L410 WeakPolarHBondContact O-CB 3.25Å; E407-L410 PolarHBondContact O-N 3.34Å; E407-S411 WeakPolarHBondContact O-CB 3.3Å; E407-S411 PolarHBondContact O-N 3.5Å; E407-S411 PolarHBondContact O-OG 3.47Å; E407-S411 VanDerWaalsContact O-OG 3.06Å
408	Y	88.1	Confident	87.2	Confident	66 Å²	66	64.7 Å²	64.7	26%	0.259	31%	0.307	S	S	.	.	H	α-helix	trans	-61.4	-48.9	174.9	176.9	-101.1	0	0	0	112.7	D340 I341 L344 L404 K406 L410 S411 K412	D340-Y408 HydrophobicContact CB-CD2 4.04Å; D340-Y408 HydrophobicContact CB-CE2 3.64Å; I341-Y408 HydrophobicContact CG1-CD2 4.05Å; L344-Y408 HydrophobicContact CD1-CD2 3.77Å; L344-Y408 HydrophobicContact CD1-CE2 3.44Å; L344-Y408 VanDerWaalsContact CD1-CE2 3.44Å; L344-Y408 HydrophobicContact CG-CE2 4.22Å; L404-Y408 WeakPolarHBondContact O-CB 3.19Å; L404-Y408 PolarHBondContact O-N 3.49Å; K406-Y408 VanDerWaalsContact C-N 3.31Å; K406-Y408 PolarHBondContact O-N 3.17Å; Y408-L410 VanDerWaalsContact C-N 3.32Å; Y408-L410 PolarHBondContact O-N 3.28Å; Y408-S411 PolarHBondContact O-N 2.96Å; Y408-K412 HydrophobicContact CE1-CD 4.08Å; Y408-K412 WeakPolarHBondContact O-CB 3.43Å; Y408-K412 PolarHBondContact O-N 3.47Å
409	E	87.2	Confident	87	Confident	94 Å²	94	64.3 Å²	64.3	44%	0.439	30%	0.304	S	S	.	.	H	α-helix	trans	-68.4	-31.8	176.6	-69	-62.2	134.7	0	0	112.1	K405 K406 K412 L413	K405-E409 PolarHBondContact O-N 2.71Å; K406-E409 PolarHBondContact O-N 3.49Å; E409-K412 IonicContact OE1-NZ 2.62Å; E409-K412 PolarHBondContact OE1-NZ 3.02Å; E409-K412 WeakPolarHBondContact OE2-CD 3.44Å; E409-K412 IonicContact OE2-NZ 2.77Å; E409-K412 PolarHBondContact OE2-NZ 3.2Å; E409-L413 WeakPolarHBondContact O-CB 3.42Å; E409-L413 PolarHBondContact O-N 2.87Å
410	L	86.8	Confident	86.7	Confident	80 Å²	80	66.1 Å²	66.1	42%	0.419	31%	0.313	S	S	.	.	H	α-helix	trans	-62.6	-52.4	173	-153.6	-179.4	0	0	0	110.7	K406 E407 Y408 K412 L413 Q414	K406-L410 WeakPolarHBondContact O-CB 3.41Å; K406-L410 PolarHBondContact O-N 3.49Å; E407-L410 WeakPolarHBondContact O-CB 3.25Å; E407-L410 PolarHBondContact O-N 3.34Å; Y408-L410 VanDerWaalsContact C-N 3.32Å; Y408-L410 PolarHBondContact O-N 3.28Å; L410-K412 VanDerWaalsContact C-N 3.31Å; L410-K412 PolarHBondContact O-N 2.88Å; L410-L413 PolarHBondContact O-N 3.14Å; L410-L413 VanDerWaalsContact O-N 3.11Å; L410-Q414 HydrophobicContact CD2-CG 3.87Å; L410-Q414 WeakPolarHBondContact O-CG 3.45Å; L410-Q414 PolarHBondContact O-N 3.48Å
411	S	84.4	Confident	86.5	Confident	6 Å²	6	69.7 Å²	69.7	4%	0.042	34%	0.335	C	S	.	.	H	α-helix	trans	-57.6	-41.7	176.6	-69.1	0	0	0	0	112.4	E407 Y408 Q414 Q415	E407-S411 WeakPolarHBondContact O-CB 3.3Å; E407-S411 PolarHBondContact O-N 3.5Å; E407-S411 PolarHBondContact O-OG 3.47Å; E407-S411 VanDerWaalsContact O-OG 3.06Å; Y408-S411 PolarHBondContact O-N 2.96Å; S411-Q414 PolarHBondContact O-N 3.25Å; S411-Q415 PolarHBondContact O-N 2.97Å
412	K	87.3	Confident	86.1	Confident	59 Å²	59	73.8 Å²	73.8	26%	0.257	35%	0.354	S	S	.	.	H	α-helix	trans	-65.6	-34.8	176.6	-178.8	-177.5	172.1	-157.7	0	112.5	L344 Y408 E409 L410 R416	L344-K412 HydrophobicContact CD1-CB 3.88Å; Y408-K412 HydrophobicContact CE1-CD 4.08Å; Y408-K412 WeakPolarHBondContact O-CB 3.43Å; Y408-K412 PolarHBondContact O-N 3.47Å; E409-K412 IonicContact OE1-NZ 2.62Å; E409-K412 PolarHBondContact OE1-NZ 3.02Å; E409-K412 WeakPolarHBondContact OE2-CD 3.44Å; E409-K412 IonicContact OE2-NZ 2.77Å; E409-K412 PolarHBondContact OE2-NZ 3.2Å; L410-K412 VanDerWaalsContact C-N 3.31Å; L410-K412 PolarHBondContact O-N 2.88Å; K412-R416 WeakPolarHBondContact O-CG 3.43Å; K412-R416 PolarHBondContact O-N 2.91Å
413	L	86.4	Confident	85.9	Confident	97 Å²	97	76.7 Å²	76.7	51%	0.508	36%	0.361	S	S	.	.	H	α-helix	trans	-74.5	-40	173.6	-178.8	146.7	0	0	0	111.8	E409 L410 Q415 R416 L417	E409-L413 WeakPolarHBondContact O-CB 3.42Å; E409-L413 PolarHBondContact O-N 2.87Å; L410-L413 PolarHBondContact O-N 3.14Å; L410-L413 VanDerWaalsContact O-N 3.11Å; L413-Q415 VanDerWaalsContact C-N 3.32Å; L413-Q415 PolarHBondContact O-N 3.12Å; L413-R416 PolarHBondContact O-N 2.9Å; L413-L417 HydrophobicContact CD2-CD1 3.65Å; L413-L417 HydrophobicContact CD2-CG 4.23Å; L413-L417 PolarHBondContact O-N 3.35Å
414	Q	82.4	Confident	85.4	Confident	101 Å²	101	81.6 Å²	81.6	47%	0.472	38%	0.382	S	S	.	.	H	α-helix	trans	-57.2	-45.1	172	-71	-179.1	9.3	0	0	111.4	L410 S411 R416 L417 G418	L410-Q414 HydrophobicContact CD2-CG 3.87Å; L410-Q414 WeakPolarHBondContact O-CG 3.45Å; L410-Q414 PolarHBondContact O-N 3.48Å; S411-Q414 PolarHBondContact O-N 3.25Å; Q414-R416 VanDerWaalsContact C-N 3.3Å; Q414-R416 PolarHBondContact O-N 3.03Å; Q414-L417 PolarHBondContact O-N 3.02Å; Q414-G418 PolarHBondContact O-N 3.46Å
415	Q	84.6	Confident	85.2	Confident	74 Å²	74	85.8 Å²	85.8	35%	0.346	40%	0.404	S	S	.	.	H	α-helix	trans	-62.8	-34.6	178.9	-165	-173	83.6	0	0	112.6	L344 S411 L413 R419	L344-Q415 PolarHBondContact O-NE2 3.36Å; S411-Q415 PolarHBondContact O-N 2.97Å; L413-Q415 VanDerWaalsContact C-N 3.32Å; L413-Q415 PolarHBondContact O-N 3.12Å; Q415-R419 WeakPolarHBondContact O-CG 3.27Å; Q415-R419 PolarHBondContact O-N 2.9Å
416	R	86.1	Confident	84.9	Confident	157 Å²	157	87.2 Å²	87.2	59%	0.592	41%	0.41	S	S	*	.	H	α-helix	trans	-67.6	-48.8	173.5	-71.9	172.7	176.8	178.5	-2.6	111.7	K412 L413 Q414 G418 R419 E420	K412-R416 WeakPolarHBondContact O-CG 3.43Å; K412-R416 PolarHBondContact O-N 2.91Å; L413-R416 PolarHBondContact O-N 2.9Å; Q414-R416 VanDerWaalsContact C-N 3.3Å; Q414-R416 PolarHBondContact O-N 3.03Å; R416-G418 VanDerWaalsContact C-N 3.3Å; R416-G418 PolarHBondContact O-N 3.37Å; R416-R419 PolarHBondContact O-N 2.97Å; R416-E420 PolarHBondContact O-N 2.91Å; R416-E420 VanDerWaalsContact O-N 3.08Å
417	L	82.3	Confident	84.7	Confident	88 Å²	88	87.8 Å²	87.8	46%	0.461	41%	0.414	S	S	.	.	H	α-helix	trans	-59.9	-40	177.5	-71.1	177.9	0	0	0	111.9	L413 Q414 R419 E420 V421	L413-L417 HydrophobicContact CD2-CD1 3.65Å; L413-L417 HydrophobicContact CD2-CG 4.23Å; L413-L417 PolarHBondContact O-N 3.35Å; Q414-L417 PolarHBondContact O-N 3.02Å; L417-R419 VanDerWaalsContact C-N 3.34Å; L417-R419 PolarHBondContact O-N 3.02Å; L417-E420 PolarHBondContact O-N 3.5Å; L417-V421 WeakPolarHBondContact O-CB 3.42Å; L417-V421 VanDerWaalsContact O-CG2 3.28Å; L417-V421 WeakPolarHBondContact O-CG2 3.34Å; L417-V421 PolarHBondContact O-N 3.39Å
418	G	80.9	Confident	84.3	Confident	35 Å²	35	91.5 Å²	91.5	36%	0.361	44%	0.438	S	S	.	.	H	α-helix	trans	-56.7	-44.8	175.1	0	0	0	0	0	112.6	Q414 R416 V421 E422	Q414-G418 PolarHBondContact O-N 3.46Å; R416-G418 VanDerWaalsContact C-N 3.3Å; R416-G418 PolarHBondContact O-N 3.37Å; G418-V421 PolarHBondContact O-N 3.01Å; G418-E422 WeakPolarHBondContact O-CB 3.49Å; G418-E422 PolarHBondContact O-N 2.84Å
419	R	85.3	Confident	83.8	Confident	153 Å²	153	94.6 Å²	94.6	58%	0.577	45%	0.454	S	S	*	.	H	α-helix	trans	-65.5	-45.3	176.4	-67.4	178.7	-171.5	-178.6	6	112.5	Q415 R416 L417 V421 E422 E423	Q415-R419 WeakPolarHBondContact O-CG 3.27Å; Q415-R419 PolarHBondContact O-N 2.9Å; R416-R419 PolarHBondContact O-N 2.97Å; L417-R419 VanDerWaalsContact C-N 3.34Å; L417-R419 PolarHBondContact O-N 3.02Å; R419-V421 VanDerWaalsContact C-N 3.31Å; R419-V421 PolarHBondContact O-N 2.89Å; R419-E422 PolarHBondContact O-N 3.42Å; R419-E423 WeakPolarHBondContact O-CG 3.22Å; R419-E423 PolarHBondContact O-N 3.21Å
420	E	83.3	Confident	83.6	Confident	92 Å²	92	99 Å²	99	43%	0.43	47%	0.467	S	S	.	.	H	α-helix	trans	-61	-39.1	175.4	-80.7	-168.1	-138.7	0	0	112.9	R416 L417 K424	R416-E420 PolarHBondContact O-N 2.91Å; R416-E420 VanDerWaalsContact O-N 3.08Å; L417-E420 PolarHBondContact O-N 3.5Å; E420-K424 WeakPolarHBondContact O-CB 3.26Å; E420-K424 WeakPolarHBondContact O-CD 3.41Å; E420-K424 VanDerWaalsContact O-CG 3.23Å; E420-K424 WeakPolarHBondContact O-CG 3.29Å; E420-K424 PolarHBondContact O-N 3.21Å; E420-K424 IonicContact OE2-NZ 2.7Å; E420-K424 PolarHBondContact OE2-NZ 3.14Å
421	V	86.8	Confident	83.4	Confident	76 Å²	76	101.7 Å²	101.7	46%	0.461	48%	0.475	S	S	.	.	H	α-helix	trans	-69.5	-43.8	177.5	168.9	0	0	0	0	110.3	L417 G418 R419 E423 K424 I425	L417-V421 WeakPolarHBondContact O-CB 3.42Å; L417-V421 VanDerWaalsContact O-CG2 3.28Å; L417-V421 WeakPolarHBondContact O-CG2 3.34Å; L417-V421 PolarHBondContact O-N 3.39Å; G418-V421 PolarHBondContact O-N 3.01Å; R419-V421 VanDerWaalsContact C-N 3.31Å; R419-V421 PolarHBondContact O-N 2.89Å; V421-E423 VanDerWaalsContact C-N 3.34Å; V421-E423 PolarHBondContact O-N 3.41Å; V421-K424 PolarHBondContact O-N 2.91Å; V421-I425 HydrophobicContact CG1-CD1 3.64Å; V421-I425 HydrophobicContact CG1-CG1 4.31Å; V421-I425 WeakPolarHBondContact O-CB 3.35Å; V421-I425 VanDerWaalsContact O-CG1 3.23Å; V421-I425 WeakPolarHBondContact O-CG1 3.48Å; V421-I425 PolarHBondContact O-N 3.41Å
422	E	80.9	Confident	83.3	Confident	101 Å²	101	107.8 Å²	107.8	47%	0.472	50%	0.498	S	S	.	.	H	α-helix	trans	-57.5	-43.7	171.7	-87	-169.6	-129.3	0	0	112.6	G418 R419 I425 K426	G418-E422 WeakPolarHBondContact O-CB 3.49Å; G418-E422 PolarHBondContact O-N 2.84Å; R419-E422 PolarHBondContact O-N 3.42Å; E422-I425 PolarHBondContact O-N 3.48Å; E422-K426 WeakPolarHBondContact O-CB 3.44Å; E422-K426 WeakPolarHBondContact O-CD 3.48Å; E422-K426 WeakPolarHBondContact O-CG 3.19Å; E422-K426 PolarHBondContact O-N 3.08Å; E422-K426 WeakPolarHBondContact OE2-CE 3.15Å; E422-K426 IonicContact OE2-NZ 2.63Å; E422-K426 PolarHBondContact OE2-NZ 3.49Å
423	E	86.4	Confident	83	Confident	117 Å²	117	109.1 Å²	109.1	55%	0.547	51%	0.508	S	S	.	.	H	α-helix	trans	-65.1	-43.9	177.4	-75.8	-179.7	-170.5	0	0	111.7	R419 V421 I425 K426 Q427	R419-E423 WeakPolarHBondContact O-CG 3.22Å; R419-E423 PolarHBondContact O-N 3.21Å; V421-E423 VanDerWaalsContact C-N 3.34Å; V421-E423 PolarHBondContact O-N 3.41Å; E423-I425 PolarHBondContact O-N 2.99Å; E423-K426 PolarHBondContact O-N 2.91Å; E423-Q427 WeakPolarHBondContact O-CB 3.4Å; E423-Q427 VanDerWaalsContact O-CG 3.28Å; E423-Q427 WeakPolarHBondContact O-CG 3.47Å; E423-Q427 PolarHBondContact O-N 3.22Å
424	K	80	Confident	82.8	Confident	111 Å²	111	108.5 Å²	108.5	48%	0.483	50%	0.504	S	S	.	.	H	α-helix	trans	-62.9	-39.8	174.7	-72.3	163	-168.2	158.7	0	111.6	E420 V421 T428	E420-K424 WeakPolarHBondContact O-CB 3.26Å; E420-K424 WeakPolarHBondContact O-CD 3.41Å; E420-K424 VanDerWaalsContact O-CG 3.23Å; E420-K424 WeakPolarHBondContact O-CG 3.29Å; E420-K424 PolarHBondContact O-N 3.21Å; E420-K424 IonicContact OE2-NZ 2.7Å; E420-K424 PolarHBondContact OE2-NZ 3.14Å; V421-K424 PolarHBondContact O-N 2.91Å; K424-T428 VanDerWaalsContact O-CB 3.31Å; K424-T428 WeakPolarHBondContact O-CB 3.39Å; K424-T428 PolarHBondContact O-N 3.11Å; K424-T428 PolarHBondContact O-OG1 3.46Å
425	I	83.5	Confident	82.6	Confident	87 Å²	87	110 Å²	110	45%	0.446	51%	0.512	S	S	.	.	H	α-helix	trans	-66	-46.9	175.4	-72.1	169.9	0	0	0	110.6	V421 E422 E423 Q427 T428 H429	V421-I425 HydrophobicContact CG1-CD1 3.64Å; V421-I425 HydrophobicContact CG1-CG1 4.31Å; V421-I425 WeakPolarHBondContact O-CB 3.35Å; V421-I425 VanDerWaalsContact O-CG1 3.23Å; V421-I425 WeakPolarHBondContact O-CG1 3.48Å; V421-I425 PolarHBondContact O-N 3.41Å; E422-I425 PolarHBondContact O-N 3.48Å; E423-I425 PolarHBondContact O-N 2.99Å; I425-Q427 PolarHBondContact O-N 3.1Å; I425-T428 PolarHBondContact O-N 3.01Å; I425-T428 VanDerWaalsContact O-N 3.1Å; I425-H429 PolarHBondContact O-N 3.41Å
426	K	85.1	Confident	82.4	Confident	123 Å²	123	110.7 Å²	110.7	54%	0.535	52%	0.515	S	S	.	.	H	α-helix	trans	-61.7	-41.2	177.1	-72.3	162.7	-168.1	167.3	0	111.8	E422 E423 R430	E422-K426 WeakPolarHBondContact O-CB 3.44Å; E422-K426 WeakPolarHBondContact O-CD 3.48Å; E422-K426 WeakPolarHBondContact O-CG 3.19Å; E422-K426 PolarHBondContact O-N 3.08Å; E422-K426 WeakPolarHBondContact OE2-CE 3.15Å; E422-K426 IonicContact OE2-NZ 2.63Å; E422-K426 PolarHBondContact OE2-NZ 3.49Å; E423-K426 PolarHBondContact O-N 2.91Å; K426-R430 VanDerWaalsContact O-CB 3.23Å; K426-R430 WeakPolarHBondContact O-CB 3.48Å; K426-R430 PolarHBondContact O-N 3.17Å
427	Q	84.5	Confident	82.2	Confident	114 Å²	114	107.5 Å²	107.5	53%	0.533	51%	0.507	S	S	.	.	H	α-helix	trans	-64.8	-38	172.6	-72.4	179.8	29.4	0	0	112.3	E423 I425 K431	E423-Q427 WeakPolarHBondContact O-CB 3.4Å; E423-Q427 VanDerWaalsContact O-CG 3.28Å; E423-Q427 WeakPolarHBondContact O-CG 3.47Å; E423-Q427 PolarHBondContact O-N 3.22Å; I425-Q427 PolarHBondContact O-N 3.1Å; Q427-K431 WeakPolarHBondContact O-CB 3.31Å; Q427-K431 WeakPolarHBondContact O-CG 3.36Å; Q427-K431 PolarHBondContact O-N 2.82Å
428	T	79	Confident	81.9	Confident	91 Å²	91	107.7 Å²	107.7	56%	0.558	51%	0.508	S	S	*	.	H	α-helix	trans	-72.1	-46.5	-179.6	-56.8	0	0	0	0	111.6	K424 I425 R430 K431 Y432	K424-T428 VanDerWaalsContact O-CB 3.31Å; K424-T428 WeakPolarHBondContact O-CB 3.39Å; K424-T428 PolarHBondContact O-N 3.11Å; K424-T428 PolarHBondContact O-OG1 3.46Å; I425-T428 PolarHBondContact O-N 3.01Å; I425-T428 VanDerWaalsContact O-N 3.1Å; T428-R430 VanDerWaalsContact C-N 3.31Å; T428-R430 PolarHBondContact O-N 3.39Å; T428-K431 PolarHBondContact O-N 2.77Å; T428-Y432 WeakPolarHBondContact O-CB 3.26Å; T428-Y432 PolarHBondContact O-N 3.14Å
429	H	77.6	Confident	81.4	Confident	131 Å²	131	109.8 Å²	109.8	61%	0.606	51%	0.507	S	S	*	.	H	α-helix	trans	-59.1	-41.1	171.2	-92.9	-73.6	0	0	0	112	I425 Y432 L433	I425-H429 PolarHBondContact O-N 3.41Å; H429-Y432 PolarHBondContact O-N 2.92Å; H429-L433 WeakPolarHBondContact O-CB 3.44Å; H429-L433 PolarHBondContact O-N 3.17Å
430	R	82.9	Confident	81.1	Confident	186 Å²	186	107 Å²	107	70%	0.702	50%	0.503	S	S	*	.	H	α-helix	trans	-64.4	-39.6	176.1	-172.9	175.3	-178.5	179.1	1.2	112	K426 T428 L434	K426-R430 VanDerWaalsContact O-CB 3.23Å; K426-R430 WeakPolarHBondContact O-CB 3.48Å; K426-R430 PolarHBondContact O-N 3.17Å; T428-R430 VanDerWaalsContact C-N 3.31Å; T428-R430 PolarHBondContact O-N 3.39Å; R430-L434 HydrophobicContact CG-CD1 4.06Å; R430-L434 VanDerWaalsContact O-CB 3.32Å; R430-L434 WeakPolarHBondContact O-CB 3.28Å; R430-L434 WeakPolarHBondContact O-CD1 3.23Å; R430-L434 WeakPolarHBondContact O-CG 3.45Å; R430-L434 PolarHBondContact O-N 3.37Å
431	K	81.8	Confident	80.7	Confident	136 Å²	136	106.6 Å²	106.6	59%	0.591	50%	0.502	S	S	*	.	H	α-helix	trans	-65.7	-46.8	173.7	-79.3	177.4	177	179	0	111.8	Q427 T428 L433 L434 Q435	Q427-K431 WeakPolarHBondContact O-CB 3.31Å; Q427-K431 WeakPolarHBondContact O-CG 3.36Å; Q427-K431 PolarHBondContact O-N 2.82Å; T428-K431 PolarHBondContact O-N 2.77Å; K431-L433 PolarHBondContact O-N 3.21Å; K431-L434 PolarHBondContact O-N 3.24Å; K431-Q435 WeakPolarHBondContact O-CB 3.45Å; K431-Q435 WeakPolarHBondContact O-CG 3.48Å; K431-Q435 PolarHBondContact O-N 2.82Å
432	Y	82.5	Confident	79.7	Confident	134 Å²	134	106.8 Å²	106.8	53%	0.525	50%	0.497	S	S	.	.	H	α-helix	trans	-54.9	-53.5	176	177	-85.7	0	0	0	110.9	T428 H429 L434 Q435 E436	T428-Y432 WeakPolarHBondContact O-CB 3.26Å; T428-Y432 PolarHBondContact O-N 3.14Å; H429-Y432 PolarHBondContact O-N 2.92Å; Y432-L434 VanDerWaalsContact C-N 3.33Å; Y432-L434 PolarHBondContact O-N 2.61Å; Y432-Q435 CarbonylContact O-C 3.56Å; Y432-Q435 WeakPolarHBondContact O-CA 3.43Å; Y432-Q435 WeakPolarHBondContact O-CB 3.49Å; Y432-Q435 PolarHBondContact O-N 2.8Å; Y432-E436 HydrophobicContact CE1-CB 4.44Å; Y432-E436 VanDerWaalsContact CE1-CD 3.43Å; Y432-E436 HydrophobicContact CE1-CG 4.48Å; Y432-E436 WeakPolarHBondContact CE1-OE1 3.48Å; Y432-E436 WeakPolarHBondContact CE1-OE2 3.47Å; Y432-E436 VanDerWaalsContact CZ-OE1 3.26Å; Y432-E436 WeakPolarHBondContact O-CB 3.26Å; Y432-E436 PolarHBondContact O-N 2.82Å; Y432-E436 PolarHBondContact OH-OE1 3.49Å
433	L	80.8	Confident	79.2	Confident	88 Å²	88	107.9 Å²	107.9	46%	0.461	50%	0.5	S	S	.	.	H	α-helix	trans	-66.8	-32.7	-177.6	-168.5	138	0	0	0	112.4	H429 K431 Q437	H429-L433 WeakPolarHBondContact O-CB 3.44Å; H429-L433 PolarHBondContact O-N 3.17Å; K431-L433 PolarHBondContact O-N 3.21Å; L433-Q437 HydrophobicContact CD2-CG 4.41Å; L433-Q437 VanDerWaalsContact O-CB 3.3Å; L433-Q437 WeakPolarHBondContact O-CB 3.45Å; L433-Q437 WeakPolarHBondContact O-CG 3.47Å; L433-Q437 PolarHBondContact O-N 3.09Å
434	L	82.7	Confident	78.6	Confident	83 Å²	83	109.8 Å²	109.8	44%	0.435	51%	0.509	S	S	.	.	H	α-helix	trans	-69.9	-32.5	170.3	-74.5	169.6	0	0	0	113	R430 K431 Y432 L438	R430-L434 HydrophobicContact CG-CD1 4.06Å; R430-L434 VanDerWaalsContact O-CB 3.32Å; R430-L434 WeakPolarHBondContact O-CB 3.28Å; R430-L434 WeakPolarHBondContact O-CD1 3.23Å; R430-L434 WeakPolarHBondContact O-CG 3.45Å; R430-L434 PolarHBondContact O-N 3.37Å; K431-L434 PolarHBondContact O-N 3.24Å; Y432-L434 VanDerWaalsContact C-N 3.33Å; Y432-L434 PolarHBondContact O-N 2.61Å; L434-L438 VanDerWaalsContact O-CB 3.29Å; L434-L438 WeakPolarHBondContact O-CB 3.37Å; L434-L438 WeakPolarHBondContact O-CG 3.33Å; L434-L438 PolarHBondContact O-N 3.32Å
435	Q	77.3	Confident	78	Confident	134 Å²	134	109.9 Å²	109.9	63%	0.626	51%	0.514	S	S	*	.	H	α-helix	trans	-73	-39	174.1	-74.7	176.6	-63.7	0	0	111.7	K431 Y432 L438 K439	K431-Q435 WeakPolarHBondContact O-CB 3.45Å; K431-Q435 WeakPolarHBondContact O-CG 3.48Å; K431-Q435 PolarHBondContact O-N 2.82Å; Y432-Q435 CarbonylContact O-C 3.56Å; Y432-Q435 WeakPolarHBondContact O-CA 3.43Å; Y432-Q435 WeakPolarHBondContact O-CB 3.49Å; Y432-Q435 PolarHBondContact O-N 2.8Å; Q435-L438 PolarHBondContact O-N 3.31Å; Q435-K439 PolarHBondContact O-N 3.21Å
436	E	80	Confident	76.9	Confident	87 Å²	87	108.8 Å²	108.8	41%	0.407	52%	0.524	S	S	.	.	H	α-helix	trans	-65	-46.4	175.1	-159.2	169.5	-122.9	0	0	110.4	Y432 L438 K439 I440	Y432-E436 HydrophobicContact CE1-CB 4.44Å; Y432-E436 VanDerWaalsContact CE1-CD 3.43Å; Y432-E436 HydrophobicContact CE1-CG 4.48Å; Y432-E436 WeakPolarHBondContact CE1-OE1 3.48Å; Y432-E436 WeakPolarHBondContact CE1-OE2 3.47Å; Y432-E436 VanDerWaalsContact CZ-OE1 3.26Å; Y432-E436 WeakPolarHBondContact O-CB 3.26Å; Y432-E436 PolarHBondContact O-N 2.82Å; Y432-E436 PolarHBondContact OH-OE1 3.49Å; E436-L438 PolarHBondContact O-N 3.5Å; E436-K439 PolarHBondContact O-N 3.12Å; E436-I440 WeakPolarHBondContact O-CG1 3.44Å; E436-I440 PolarHBondContact O-N 3.35Å
437	Q	82	Confident	75.7	Confident	91 Å²	91	109.5 Å²	109.5	43%	0.425	53%	0.533	S	S	.	.	H	α-helix	trans	-59.4	-42.7	169.7	-75.7	175.8	-17.2	0	0	112.6	L433 K439 I440 I441	L433-Q437 HydrophobicContact CD2-CG 4.41Å; L433-Q437 VanDerWaalsContact O-CB 3.3Å; L433-Q437 WeakPolarHBondContact O-CB 3.45Å; L433-Q437 WeakPolarHBondContact O-CG 3.47Å; L433-Q437 PolarHBondContact O-N 3.09Å; Q437-K439 PolarHBondContact O-N 2.96Å; Q437-I440 PolarHBondContact O-N 3.34Å; Q437-I441 WeakPolarHBondContact O-CB 3.14Å; Q437-I441 WeakPolarHBondContact O-CD1 3.28Å; Q437-I441 WeakPolarHBondContact O-CG1 3.26Å; Q437-I441 PolarHBondContact O-N 2.97Å
438	L	76.7	Confident	74.2	Confident	92 Å²	92	107.5 Å²	107.5	48%	0.482	52%	0.524	S	S	.	.	H	α-helix	trans	-62.9	-39.5	175.1	-87.8	165.8	0	0	0	112.5	L434 Q435 E436 I441 K442	L434-L438 VanDerWaalsContact O-CB 3.29Å; L434-L438 WeakPolarHBondContact O-CB 3.37Å; L434-L438 WeakPolarHBondContact O-CG 3.33Å; L434-L438 PolarHBondContact O-N 3.32Å; Q435-L438 PolarHBondContact O-N 3.31Å; E436-L438 PolarHBondContact O-N 3.5Å; L438-I441 PolarHBondContact O-N 3.4Å; L438-K442 WeakPolarHBondContact O-CB 3.49Å; L438-K442 WeakPolarHBondContact O-CG 3.44Å; L438-K442 PolarHBondContact O-N 2.75Å
439	K	71.6	Confident	73.2	Confident	79 Å²	79	109.4 Å²	109.4	34%	0.343	52%	0.524	S	S	.	.	H	α-helix	trans	-68.1	-39.5	177	-173.7	158	-173.9	173.4	0	111.3	Q435 E436 Q437 K443 D450 D451	Q435-K439 PolarHBondContact O-N 3.21Å; E436-K439 PolarHBondContact O-N 3.12Å; Q437-K439 PolarHBondContact O-N 2.96Å; K439-K443 VanDerWaalsContact O-CB 3.24Å; K439-K443 WeakPolarHBondContact O-CB 3.27Å; K439-K443 PolarHBondContact O-N 3.48Å; K439-D450 IonicContact NZ-OD1 2.82Å; K439-D450 PolarHBondContact NZ-OD1 2.7Å; K439-D451 IonicContact NZ-OD2 2.76Å; K439-D451 PolarHBondContact NZ-OD2 2.93Å
440	I	77.3	Confident	72.7	Confident	95 Å²	95	105.5 Å²	105.5	49%	0.487	51%	0.508	S	S	.	.	H	α-helix	trans	-60.8	-53.2	172.1	-66.7	163.3	0	0	0	110.4	E436 Q437 K442 K443 E444	E436-I440 WeakPolarHBondContact O-CG1 3.44Å; E436-I440 PolarHBondContact O-N 3.35Å; Q437-I440 PolarHBondContact O-N 3.34Å; I440-K442 PolarHBondContact O-N 2.82Å; I440-K443 PolarHBondContact O-N 2.93Å; I440-K443 VanDerWaalsContact O-N 3.11Å; I440-E444 PolarHBondContact O-N 2.94Å
441	I	75.5	Confident	72.1	Confident	83 Å²	83	101 Å²	101	43%	0.426	50%	0.498	S	S	.	.	H	α-helix	trans	-59.5	-42.8	-178.9	-70.8	164	0	0	0	111.6	Q437 L438 K443 E444 L445	Q437-I441 WeakPolarHBondContact O-CB 3.14Å; Q437-I441 WeakPolarHBondContact O-CD1 3.28Å; Q437-I441 WeakPolarHBondContact O-CG1 3.26Å; Q437-I441 PolarHBondContact O-N 2.97Å; L438-I441 PolarHBondContact O-N 3.4Å; I441-K443 VanDerWaalsContact C-N 3.34Å; I441-E444 PolarHBondContact O-N 3.03Å; I441-L445 HydrophobicContact CG2-CD1 3.81Å; I441-L445 HydrophobicContact CG2-CG 4.47Å; I441-L445 WeakPolarHBondContact O-CB 3.47Å; I441-L445 WeakPolarHBondContact O-CG 3.33Å; I441-L445 PolarHBondContact O-N 2.76Å
442	K	66.3	Low	71.7	Confident	80 Å²	80	96.8 Å²	96.8	35%	0.348	48%	0.48	S	S	.	.	H	α-helix	trans	-69.2	-31.1	177.6	-71.8	172.8	-179.7	176.3	0	113.3	L438 I440 L445 G446 L447 E448	L438-K442 WeakPolarHBondContact O-CB 3.49Å; L438-K442 WeakPolarHBondContact O-CG 3.44Å; L438-K442 PolarHBondContact O-N 2.75Å; I440-K442 PolarHBondContact O-N 2.82Å; K442-L445 PolarHBondContact O-N 3.22Å; K442-G446 PolarHBondContact O-N 2.68Å; K442-G446 VanDerWaalsContact O-N 3.15Å; K442-L447 PolarHBondContact O-N 2.8Å; K442-E448 HydrophobicContact CB-CB 4.22Å; K442-E448 HydrophobicContact CB-CG 4.02Å; K442-E448 HydrophobicContact CD-CG 3.81Å; K442-E448 WeakPolarHBondContact CD-OE1 3.31Å; K442-E448 WeakPolarHBondContact CD-OE2 3.2Å; K442-E448 WeakPolarHBondContact CE-OE1 3.15Å; K442-E448 IonicContact NZ-OE1 3.33Å; K442-E448 PolarHBondContact NZ-OE1 2.79Å
443	K	69.4	Low	71.5	Confident	123 Å²	123	95.1 Å²	95.1	54%	0.535	48%	0.477	S	S	.	.	H	α-helix	trans	-71.7	-39.9	174.6	-170.7	156.9	-173.9	157.8	0	111.4	K439 I440 I441 L445 G446 D450	K439-K443 VanDerWaalsContact O-CB 3.24Å; K439-K443 WeakPolarHBondContact O-CB 3.27Å; K439-K443 PolarHBondContact O-N 3.48Å; I440-K443 PolarHBondContact O-N 2.93Å; I440-K443 VanDerWaalsContact O-N 3.11Å; I441-K443 VanDerWaalsContact C-N 3.34Å; K443-L445 VanDerWaalsContact C-N 3.35Å; K443-G446 PolarHBondContact O-N 2.7Å; K443-D450 IonicContact NZ-OD2 3.8Å; K443-D450 PolarHBondContact NZ-OD2 2.91Å
444	E	73.8	Confident	71.5	Confident	157 Å²	157	93.5 Å²	93.5	73%	0.734	48%	0.476	S	S	*	.	H	α-helix	trans	-63.9	-37.2	169.6	-70.7	-177	155	0	0	112.5	I440 I441 G446	I440-E444 PolarHBondContact O-N 2.94Å; I441-E444 PolarHBondContact O-N 3.03Å; E444-G446 PolarHBondContact O-N 3.31Å
445	L	68.3	Low	71.6	Confident	113 Å²	113	91 Å²	91	59%	0.592	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-5.9	175.2	-71.3	169.4	0	0	0	114.2	I441 K442 K443 L447	I441-L445 HydrophobicContact CG2-CD1 3.81Å; I441-L445 HydrophobicContact CG2-CG 4.47Å; I441-L445 WeakPolarHBondContact O-CB 3.47Å; I441-L445 WeakPolarHBondContact O-CG 3.33Å; I441-L445 PolarHBondContact O-N 2.76Å; K442-L445 PolarHBondContact O-N 3.22Å; K443-L445 VanDerWaalsContact C-N 3.35Å; L445-L447 HydrophobicContact CB-CD1 4.08Å; L445-L447 HydrophobicContact CB-CG 4.18Å; L445-L447 HydrophobicContact CD1-CD1 4.41Å; L445-L447 PolarHBondContact O-N 3.11Å
446	G	60.4	Low	71.9	Confident	64 Å²	64	86.1 Å²	86.1	66%	0.66	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.7	20.9	-177.8	0	0	0	0	0	114.8	K442 K443 E444	K442-G446 PolarHBondContact O-N 2.68Å; K442-G446 VanDerWaalsContact O-N 3.15Å; K443-G446 PolarHBondContact O-N 2.7Å; E444-G446 PolarHBondContact O-N 3.31Å
447	L	59.7	Low	72.2	Confident	139 Å²	139	85 Å²	85	73%	0.728	44%	0.437	S	S	*	.			trans	-97.1	-19.6	-175.3	-71.8	173.6	0	0	0	113.8	K442 L445	K442-L447 PolarHBondContact O-N 2.8Å; L445-L447 HydrophobicContact CB-CD1 4.08Å; L445-L447 HydrophobicContact CB-CG 4.18Å; L445-L447 HydrophobicContact CD1-CD1 4.41Å; L445-L447 PolarHBondContact O-N 3.11Å
448	E	52.2	Low	72.6	Confident	71 Å²	71	86.3 Å²	86.3	33%	0.332	44%	0.441	S	S	.	.			trans	-98.8	110.7	168	-88.8	176.4	172	0	0	110.1	K442	K442-E448 HydrophobicContact CB-CB 4.22Å; K442-E448 HydrophobicContact CB-CG 4.02Å; K442-E448 HydrophobicContact CD-CG 3.81Å; K442-E448 WeakPolarHBondContact CD-OE1 3.31Å; K442-E448 WeakPolarHBondContact CD-OE2 3.2Å; K442-E448 WeakPolarHBondContact CE-OE1 3.15Å; K442-E448 IonicContact NZ-OE1 3.33Å; K442-E448 PolarHBondContact NZ-OE1 2.79Å
449	K	59.6	Low	73.2	Confident	131 Å²	131	82.3 Å²	82.3	57%	0.57	42%	0.42	S	S	*	.			trans	-57.3	140.6	145.3	-72.6	-172.4	172.1	-174.3	0	107.8	E453 D457	K449-E453 VanDerWaalsContact CA-OE2 3.26Å; K449-E453 WeakPolarHBondContact CA-OE2 3.47Å; K449-E453 HydrophobicContact CB-CB 4.25Å; K449-E453 WeakPolarHBondContact CB-OE2 3.43Å; K449-D457 IonicContact NZ-OD2 2.76Å; K449-D457 PolarHBondContact NZ-OD2 3.31Å
450	D	66.2	Low	74	Confident	49 Å²	49	84.2 Å²	84.2	26%	0.262	43%	0.425	S	S	.	.			trans	-67.1	152.9	179.6	-117.1	-50.7	0	0	0	110.5	K439 K443 K452 E453 A454	K439-D450 IonicContact NZ-OD1 2.82Å; K439-D450 PolarHBondContact NZ-OD1 2.7Å; K443-D450 IonicContact NZ-OD2 3.8Å; K443-D450 PolarHBondContact NZ-OD2 2.91Å; D450-K452 PolarHBondContact O-N 3.47Å; D450-E453 HydrophobicContact CB-CG 4.41Å; D450-E453 PolarHBondContact N-OE2 3.47Å; D450-E453 PolarHBondContact O-N 3.42Å; D450-A454 PolarHBondContact O-N 3.05Å; D450-A454 VanDerWaalsContact O-N 3.15Å
451	D	70.3	Confident	74.6	Confident	93 Å²	93	85.7 Å²	85.7	50%	0.497	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-24.7	-174.4	-65.4	-76.6	0	0	0	112.8	K439 I455	K439-D451 IonicContact NZ-OD2 2.76Å; K439-D451 PolarHBondContact NZ-OD2 2.93Å; D451-I455 WeakPolarHBondContact O-CD1 3.21Å; D451-I455 WeakPolarHBondContact O-CG1 3.44Å
452	K	74	Confident	75.1	Confident	47 Å²	47	84.8 Å²	84.8	20%	0.204	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-51	172.9	-55.3	-167.4	-168.4	-170.9	0	112.5	D450 A454 I455 E456 G484 L486 N488 F493	D450-K452 PolarHBondContact O-N 3.47Å; K452-A454 PolarHBondContact O-N 2.91Å; K452-I455 WeakPolarHBondContact O-CA 3.19Å; K452-I455 WeakPolarHBondContact O-CB 3.3Å; K452-I455 PolarHBondContact O-N 3.34Å; K452-E456 PolarHBondContact O-N 3.36Å; K452-G484 WeakPolarHBondContact CD-O 3.44Å; K452-G484 PolarHBondContact NZ-O 2.7Å; K452-L486 WeakPolarHBondContact CE-O 3.42Å; K452-L486 PolarHBondContact NZ-O 3.07Å; K452-N488 VanDerWaalsContact CE-OD1 3.31Å; K452-N488 WeakPolarHBondContact CE-OD1 3.29Å; K452-N488 WeakPolarHBondContact CG-OD1 3.4Å; K452-F493 HydrophobicContact CG-CE2 4.48Å
453	E	77.4	Confident	76.1	Confident	99 Å²	99	81.8 Å²	81.8	46%	0.463	41%	0.408	S	S	.	.	H	α-helix	trans	-58.2	-39	179.8	-60	-179.7	133.9	0	0	111	K449 D450 I455 E456 D457	K449-E453 VanDerWaalsContact CA-OE2 3.26Å; K449-E453 WeakPolarHBondContact CA-OE2 3.47Å; K449-E453 HydrophobicContact CB-CB 4.25Å; K449-E453 WeakPolarHBondContact CB-OE2 3.43Å; D450-E453 HydrophobicContact CB-CG 4.41Å; D450-E453 PolarHBondContact N-OE2 3.47Å; D450-E453 PolarHBondContact O-N 3.42Å; E453-I455 VanDerWaalsContact C-N 3.27Å; E453-I455 PolarHBondContact O-N 2.92Å; E453-E456 PolarHBondContact O-N 3.46Å; E453-D457 WeakPolarHBondContact O-CB 3.48Å; E453-D457 PolarHBondContact O-N 3.06Å
454	A	81.6	Confident	76.8	Confident	54 Å²	54	83.3 Å²	83.3	45%	0.446	42%	0.415	S	S	.	.	H	α-helix	trans	-66.1	-25.7	175.7	0	0	0	0	0	113.7	D450 K452 K458	D450-A454 PolarHBondContact O-N 3.05Å; D450-A454 VanDerWaalsContact O-N 3.15Å; K452-A454 PolarHBondContact O-N 2.91Å; A454-K458 WeakPolarHBondContact O-CB 3.46Å
455	I	83.3	Confident	77.3	Confident	29 Å²	29	82.7 Å²	82.7	15%	0.149	42%	0.417	C	S	.	.	H	α-helix	trans	-81.4	-43.7	173.1	-68.8	167.7	0	0	0	110.2	D451 K452 E453 K458 F459 L483 F493	D451-I455 WeakPolarHBondContact O-CD1 3.21Å; D451-I455 WeakPolarHBondContact O-CG1 3.44Å; K452-I455 WeakPolarHBondContact O-CA 3.19Å; K452-I455 WeakPolarHBondContact O-CB 3.3Å; K452-I455 PolarHBondContact O-N 3.34Å; E453-I455 VanDerWaalsContact C-N 3.27Å; E453-I455 PolarHBondContact O-N 2.92Å; I455-K458 PolarHBondContact O-N 3.11Å; I455-F459 HydrophobicContact CG2-CD2 3.82Å; I455-F459 HydrophobicContact CG2-CE2 3.38Å; I455-F459 HydrophobicContact CG2-CZ 4.03Å; I455-F459 WeakPolarHBondContact O-CD2 3.46Å; I455-F459 WeakPolarHBondContact O-CG 3.18Å; I455-F459 PolarHBondContact O-N 2.97Å; I455-L483 HydrophobicContact CG2-CD2 3.92Å; I455-F493 HydrophobicContact CD1-CZ 4.32Å
456	E	85.1	Confident	78.1	Confident	33 Å²	33	80.4 Å²	80.4	15%	0.154	40%	0.4	C	S	.	.	H	α-helix	trans	-62.3	-47.1	176.9	-71.2	178.4	-140.7	0	0	112.3	K452 E453 K458 F459 R460 L480 G484	K452-E456 PolarHBondContact O-N 3.36Å; E453-E456 PolarHBondContact O-N 3.46Å; E456-K458 VanDerWaalsContact C-N 3.28Å; E456-K458 PolarHBondContact O-N 2.84Å; E456-F459 PolarHBondContact O-N 3.36Å; E456-F459 VanDerWaalsContact O-N 3.14Å; E456-R460 WeakPolarHBondContact O-CG 3.25Å; E456-R460 PolarHBondContact O-N 3.02Å; E456-L480 HydrophobicContact CG-CD2 4.22Å; E456-G484 WeakPolarHBondContact OE1-CA 3.5Å
457	D	86.5	Confident	79.4	Confident	64 Å²	64	83.8 Å²	83.8	34%	0.342	40%	0.404	S	S	.	.	H	α-helix	trans	-58.1	-41.4	175.7	-90.5	-24.8	0	0	0	111.6	K449 E453 F459 R460 E461	K449-D457 IonicContact NZ-OD2 2.76Å; K449-D457 PolarHBondContact NZ-OD2 3.31Å; E453-D457 WeakPolarHBondContact O-CB 3.48Å; E453-D457 PolarHBondContact O-N 3.06Å; D457-F459 VanDerWaalsContact C-N 3.34Å; D457-F459 PolarHBondContact O-N 2.92Å; D457-R460 PolarHBondContact O-N 3.49Å; D457-E461 VanDerWaalsContact O-CB 3.26Å; D457-E461 WeakPolarHBondContact O-CB 3.35Å; D457-E461 PolarHBondContact O-N 3.35Å
458	K	88.5	Confident	80.8	Confident	118 Å²	118	78.5 Å²	78.5	51%	0.513	38%	0.377	S	S	.	.	H	α-helix	trans	-66.9	-34	177.8	179.5	176.8	180	175.2	0	112.6	A454 I455 E456 R462	A454-K458 WeakPolarHBondContact O-CB 3.46Å; I455-K458 PolarHBondContact O-N 3.11Å; E456-K458 VanDerWaalsContact C-N 3.28Å; E456-K458 PolarHBondContact O-N 2.84Å; K458-R462 WeakPolarHBondContact O-CG 3.23Å; K458-R462 PolarHBondContact O-N 3.28Å
459	F	90.7	Very high	82.6	Confident	8 Å²	8	77.7 Å²	77.7	4%	0.035	38%	0.378	C	S	.	.	H	α-helix	trans	-71.9	-43.7	172.3	-71.6	-36.3	0	0	0	111.4	I455 E456 D457 E461 R462 L463 L480 L483 R497 L500 D501 T504	I455-F459 HydrophobicContact CG2-CD2 3.82Å; I455-F459 HydrophobicContact CG2-CE2 3.38Å; I455-F459 HydrophobicContact CG2-CZ 4.03Å; I455-F459 WeakPolarHBondContact O-CD2 3.46Å; I455-F459 WeakPolarHBondContact O-CG 3.18Å; I455-F459 PolarHBondContact O-N 2.97Å; E456-F459 PolarHBondContact O-N 3.36Å; E456-F459 VanDerWaalsContact O-N 3.14Å; D457-F459 VanDerWaalsContact C-N 3.34Å; D457-F459 PolarHBondContact O-N 2.92Å; F459-E461 VanDerWaalsContact C-N 3.35Å; F459-E461 PolarHBondContact O-N 2.92Å; F459-R462 PolarHBondContact O-N 3.29Å; F459-L463 WeakPolarHBondContact O-CD1 3.33Å; F459-L463 WeakPolarHBondContact O-CG 3.33Å; F459-L463 PolarHBondContact O-N 2.89Å; F459-L480 HydrophobicContact CB-CD2 4.1Å; F459-L480 HydrophobicContact CD2-CD2 3.97Å; F459-L483 HydrophobicContact CD2-CD2 4.44Å; F459-L483 HydrophobicContact CE2-CD2 4.09Å; F459-R497 HydrophobicContact CZ-CG 4.44Å; F459-L500 HydrophobicContact CD2-CB 4.09Å; F459-L500 HydrophobicContact CD2-CD1 4.29Å; F459-L500 HydrophobicContact CE1-CB 4.39Å; F459-L500 HydrophobicContact CE2-CB 3.64Å; F459-L500 HydrophobicContact CE2-CD1 4.1Å; F459-L500 HydrophobicContact CZ-CB 3.81Å; F459-D501 HydrophobicContact CE1-CB 4.1Å; F459-D501 HydrophobicContact CZ-CB 4.33Å; F459-T504 HydrophobicContact CB-CG2 4.06Å; F459-T504 HydrophobicContact CD1-CG2 4.01Å; F459-T504 VanDerWaalsContact CD1-OG1 3.26Å; F459-T504 WeakPolarHBondContact CD1-OG1 3.32Å; F459-T504 HydrophobicContact CG-CG2 4.24Å
460	R	88.3	Confident	84.1	Confident	119 Å²	119	79.3 Å²	79.3	45%	0.449	39%	0.387	S	S	.	.	H	α-helix	trans	-61.7	-39.6	174.5	-71.3	175.3	177.9	179.4	3.4	112.3	E456 D457 L463 K464	E456-R460 WeakPolarHBondContact O-CG 3.25Å; E456-R460 PolarHBondContact O-N 3.02Å; D457-R460 PolarHBondContact O-N 3.49Å; R460-L463 PolarHBondContact O-N 2.9Å; R460-L463 VanDerWaalsContact O-N 3.16Å; R460-K464 PolarHBondContact O-N 2.94Å
461	E	89.4	Confident	85.2	Confident	125 Å²	125	81.6 Å²	81.6	58%	0.584	40%	0.396	S	S	*	.	H	α-helix	trans	-60.4	-45.4	176.4	-176.1	172.6	-120.7	0	0	112	D457 F459 L463 K464	D457-E461 VanDerWaalsContact O-CB 3.26Å; D457-E461 WeakPolarHBondContact O-CB 3.35Å; D457-E461 PolarHBondContact O-N 3.35Å; F459-E461 VanDerWaalsContact C-N 3.35Å; F459-E461 PolarHBondContact O-N 2.92Å; E461-L463 PolarHBondContact O-N 3.04Å; E461-K464 PolarHBondContact O-N 3.08Å
462	R	86.6	Confident	86.2	Confident	65 Å²	65	77.2 Å²	77.2	25%	0.245	37%	0.373	C	S	.	.	H	α-helix	trans	-61.2	-22.1	175.1	-73.1	170.2	168.6	-177	-1.1	114.5	K458 F459 D501 T504	K458-R462 WeakPolarHBondContact O-CG 3.23Å; K458-R462 PolarHBondContact O-N 3.28Å; F459-R462 PolarHBondContact O-N 3.29Å; R462-D501 IonicContact CZ-OD1 2.71Å; R462-D501 VanDerWaalsContact CZ-OD1 3.25Å; R462-D501 IonicContact NH1-OD1 3.2Å; R462-D501 PolarHBondContact NH1-OD1 3.06Å; R462-D501 IonicContact NH2-OD1 2.6Å; R462-D501 PolarHBondContact NH2-OD1 3.33Å; R462-T504 PolarHBondContact NH1-OG1 2.83Å
463	L	86.6	Confident	87.1	Confident	16 Å²	16	78 Å²	78	8%	0.084	38%	0.378	C	S	.	.	H	α-helix	trans	-91.4	-25	-175.8	-68.7	163.1	0	0	0	112.9	F459 R460 E461 D465 R466 V468 I476 T504	F459-L463 WeakPolarHBondContact O-CD1 3.33Å; F459-L463 WeakPolarHBondContact O-CG 3.33Å; F459-L463 PolarHBondContact O-N 2.89Å; R460-L463 PolarHBondContact O-N 2.9Å; R460-L463 VanDerWaalsContact O-N 3.16Å; E461-L463 PolarHBondContact O-N 3.04Å; L463-D465 PolarHBondContact O-N 3.47Å; L463-R466 PolarHBondContact O-N 3.24Å; L463-R466 VanDerWaalsContact O-N 3.15Å; L463-V468 HydrophobicContact CD2-CG2 3.83Å; L463-I476 HydrophobicContact CD1-CG2 3.79Å; L463-I476 HydrophobicContact CD2-CD1 4.07Å; L463-T504 HydrophobicContact CD1-CG2 4.13Å; L463-T504 HydrophobicContact CD2-CG2 4.3Å; L463-T504 HydrophobicContact CG-CG2 4.21Å
464	K	85	Confident	87.8	Confident	156 Å²	156	77.7 Å²	77.7	68%	0.678	38%	0.379	S	S	*	.	H	α-helix	trans	-55.3	-36.7	-177.7	-72	170.8	-171.9	170.4	0	113.6	R460 E461	R460-K464 PolarHBondContact O-N 2.94Å; E461-K464 PolarHBondContact O-N 3.08Å
465	D	82.9	Confident	88.4	Confident	144 Å²	144	77 Å²	77	77%	0.77	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	11.4	-174.2	-54.2	-26.9	0	0	0	113	L463	L463-D465 PolarHBondContact O-N 3.47Å
466	R	86.8	Confident	88.9	Confident	64 Å²	64	75.6 Å²	75.6	24%	0.242	36%	0.362	C	S	.	.	S	Bend	trans	-129.8	136.8	-173.8	-64.2	-165.2	-160.9	143.5	26.3	113.4	L463 V468 T504 M506	L463-R466 PolarHBondContact O-N 3.24Å; L463-R466 VanDerWaalsContact O-N 3.15Å; R466-V468 HydrophobicContact CB-CG2 4.33Å; R466-V468 PolarHBondContact O-N 3.14Å; R466-V468 VanDerWaalsContact O-N 3.15Å; R466-T504 PolarHBondContact NH1-O 2.95Å; R466-M506 PolarHBondContact NH1-O 3.48Å
467	N	87.5	Confident	89.2	Confident	136 Å²	136	77 Å²	77	73%	0.727	37%	0.371	S	S	*	.			trans	-85.4	87.5	175.3	-66.7	-29.2	0	0	0	109.6	W508	N467-W508 CarbonylContact O-C 3.55Å
468	V	88.4	Confident	89.5	Confident	27 Å²	27	80.3 Å²	80.3	16%	0.164	38%	0.384	C	S	.	.			trans	-83.4	133.3	177.7	-172.3	0	0	0	0	110.4	L463 R466 I472 M473 I476 W508	L463-V468 HydrophobicContact CD2-CG2 3.83Å; R466-V468 HydrophobicContact CB-CG2 4.33Å; R466-V468 PolarHBondContact O-N 3.14Å; R466-V468 VanDerWaalsContact O-N 3.15Å; V468-I472 HydrophobicContact CG1-CB 3.87Å; V468-I472 HydrophobicContact CG1-CG2 4.03Å; V468-M473 HydrophobicContact CB-SD 4.5Å; V468-M473 HydrophobicContact CG1-CB 4.28Å; V468-I476 HydrophobicContact CG1-CD1 4.24Å; V468-W508 HydrophobicContact CB-CB 4.48Å; V468-W508 HydrophobicContact CG1-CG 4.36Å; V468-W508 HydrophobicContact CG2-CB 3.99Å; V468-W508 HydrophobicContact CG2-CG 4.1Å
469	P	90.9	Very high	89.7	Confident	54 Å²	54	75.6 Å²	75.6	35%	0.351	36%	0.364	S	S	.	.			trans	-59.4	142.4	172.1	-23	33.4	0	0	0	112.1	H471 I472 M473	P469-H471 PolarHBondContact O-N 2.93Å; P469-I472 HydrophobicContact CB-CD1 4.4Å; P469-I472 HydrophobicContact CB-CG1 4.28Å; P469-I472 HydrophobicContact CG-CD1 4.1Å; P469-I472 HydrophobicContact CG-CG1 4.49Å; P469-I472 PolarHBondContact O-N 2.89Å; P469-M473 PolarHBondContact O-N 3.32Å
470	Q	90.2	Very high	89.8	Confident	166 Å²	166	75.4 Å²	75.4	78%	0.776	36%	0.364	S	S	*	.	H	α-helix	trans	-50.5	-52	-174.4	-71.4	175.3	-19.8	0	0	112.8	I472 M473 D474	Q470-I472 PolarHBondContact O-N 2.92Å; Q470-I472 VanDerWaalsContact O-N 3.1Å; Q470-M473 CarbonylContact O-C 3.58Å; Q470-M473 WeakPolarHBondContact O-CA 3.16Å; Q470-M473 WeakPolarHBondContact O-CB 3.27Å; Q470-M473 PolarHBondContact O-N 3.43Å; Q470-D474 VanDerWaalsContact O-CG 3.31Å; Q470-D474 PolarHBondContact O-N 2.68Å
471	H	90.1	Very high	89.9	Confident	96 Å²	96	74.6 Å²	74.6	44%	0.444	37%	0.368	S	S	.	.	H	α-helix	trans	-59.5	-26	-179.6	71.7	-94.7	0	0	0	114.5	P469 V475	P469-H471 PolarHBondContact O-N 2.93Å; H471-V475 WeakPolarHBondContact O-CG2 3.28Å
472	I	91.4	Very high	89.9	Confident	1 Å²	1	72.5 Å²	72.5	1%	0.005	36%	0.357	C	S	.	.	H	α-helix	trans	-84.4	-36.4	174.9	-50.5	-172.8	0	0	0	110.1	V468 P469 Q470 D474 V475 I476 L503 W508	V468-I472 HydrophobicContact CG1-CB 3.87Å; V468-I472 HydrophobicContact CG1-CG2 4.03Å; P469-I472 HydrophobicContact CB-CD1 4.4Å; P469-I472 HydrophobicContact CB-CG1 4.28Å; P469-I472 HydrophobicContact CG-CD1 4.1Å; P469-I472 HydrophobicContact CG-CG1 4.49Å; P469-I472 PolarHBondContact O-N 2.89Å; Q470-I472 PolarHBondContact O-N 2.92Å; Q470-I472 VanDerWaalsContact O-N 3.1Å; I472-D474 VanDerWaalsContact C-N 3.3Å; I472-D474 PolarHBondContact O-N 2.88Å; I472-V475 PolarHBondContact O-N 2.76Å; I472-I476 HydrophobicContact CG2-CD1 4.01Å; I472-I476 HydrophobicContact CG2-CG1 4.48Å; I472-I476 WeakPolarHBondContact O-CB 3.47Å; I472-I476 VanDerWaalsContact O-CG1 3.23Å; I472-I476 WeakPolarHBondContact O-CG1 3.49Å; I472-I476 PolarHBondContact O-N 3.04Å; I472-L503 HydrophobicContact CG2-CD2 4.36Å; I472-W508 HydrophobicContact CD1-CE3 4.13Å; I472-W508 HydrophobicContact CD1-CH2 3.38Å; I472-W508 HydrophobicContact CD1-CZ2 3.81Å; I472-W508 HydrophobicContact CD1-CZ3 3.55Å; I472-W508 HydrophobicContact CG2-CZ2 3.99Å
473	M	91.2	Very high	90.1	Very high	65 Å²	65	69.4 Å²	69.4	32%	0.32	35%	0.345	S	S	.	.	H	α-helix	trans	-62.5	-37.9	174.7	-167.4	65.8	-169	0	0	111.6	V468 P469 Q470 I476 N477	V468-M473 HydrophobicContact CB-SD 4.5Å; V468-M473 HydrophobicContact CG1-CB 4.28Å; P469-M473 PolarHBondContact O-N 3.32Å; Q470-M473 CarbonylContact O-C 3.58Å; Q470-M473 WeakPolarHBondContact O-CA 3.16Å; Q470-M473 WeakPolarHBondContact O-CB 3.27Å; Q470-M473 PolarHBondContact O-N 3.43Å; M473-I476 PolarHBondContact O-N 3.02Å; M473-N477 WeakPolarHBondContact O-CB 3.4Å; M473-N477 PolarHBondContact O-N 3.43Å; M473-N477 PolarHBondContact O-ND2 2.85Å
474	D	93.3	Very high	90.1	Very high	91 Å²	91	69.9 Å²	69.9	49%	0.487	35%	0.354	S	S	.	.	H	α-helix	trans	-63.6	-49.9	175.9	-62.3	-35.8	0	0	0	111.3	Q470 I472 I476 N477 E478	Q470-D474 VanDerWaalsContact O-CG 3.31Å; Q470-D474 PolarHBondContact O-N 2.68Å; I472-D474 VanDerWaalsContact C-N 3.3Å; I472-D474 PolarHBondContact O-N 2.88Å; D474-I476 VanDerWaalsContact C-N 3.3Å; D474-I476 PolarHBondContact O-N 2.96Å; D474-N477 WeakPolarHBondContact O-CB 3.43Å; D474-N477 PolarHBondContact O-N 2.75Å; D474-E478 PolarHBondContact O-N 3.21Å
475	V	93.6	Very high	90.2	Very high	39 Å²	39	69.8 Å²	69.8	24%	0.236	36%	0.36	C	S	.	.	H	α-helix	trans	-59.3	-38.3	174.2	172.4	0	0	0	0	112.1	H471 I472 E479 Y499 V664	H471-V475 WeakPolarHBondContact O-CG2 3.28Å; I472-V475 PolarHBondContact O-N 2.76Å; V475-E479 WeakPolarHBondContact O-CB 3.47Å; V475-E479 WeakPolarHBondContact O-CG 3.45Å; V475-E479 PolarHBondContact O-N 3.29Å; V475-Y499 HydrophobicContact CG1-CE1 4.38Å; V475-V664 HydrophobicContact CG1-CG1 4.29Å; V475-V664 HydrophobicContact CG2-CG1 4.33Å
476	I	93.2	Very high	90.5	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-63.4	-42.4	174	-74.5	167.8	0	0	0	111	L463 V468 I472 M473 D474 L480 L503	L463-I476 HydrophobicContact CD1-CG2 3.79Å; L463-I476 HydrophobicContact CD2-CD1 4.07Å; V468-I476 HydrophobicContact CG1-CD1 4.24Å; I472-I476 HydrophobicContact CG2-CD1 4.01Å; I472-I476 HydrophobicContact CG2-CG1 4.48Å; I472-I476 WeakPolarHBondContact O-CB 3.47Å; I472-I476 VanDerWaalsContact O-CG1 3.23Å; I472-I476 WeakPolarHBondContact O-CG1 3.49Å; I472-I476 PolarHBondContact O-N 3.04Å; M473-I476 PolarHBondContact O-N 3.02Å; D474-I476 VanDerWaalsContact C-N 3.3Å; D474-I476 PolarHBondContact O-N 2.96Å; I476-L480 HydrophobicContact CG2-CD1 3.78Å; I476-L480 HydrophobicContact CG2-CG 4.39Å; I476-L480 VanDerWaalsContact O-CB 3.31Å; I476-L480 WeakPolarHBondContact O-CB 3.18Å; I476-L480 WeakPolarHBondContact O-CG 3.48Å; I476-L480 PolarHBondContact O-N 2.94Å; I476-L503 HydrophobicContact CD1-CB 4.36Å; I476-L503 HydrophobicContact CG1-CB 4.22Å; I476-L503 HydrophobicContact CG1-CD1 3.79Å
477	N	92.6	Very high	90.4	Very high	62 Å²	62	65.9 Å²	65.9	33%	0.332	34%	0.344	S	S	.	.	H	α-helix	trans	-66.8	-42.3	178.5	-70.7	-36.9	0	0	0	111.7	M473 D474 L480 N481	M473-N477 WeakPolarHBondContact O-CB 3.4Å; M473-N477 PolarHBondContact O-N 3.43Å; M473-N477 PolarHBondContact O-ND2 2.85Å; D474-N477 WeakPolarHBondContact O-CB 3.43Å; D474-N477 PolarHBondContact O-N 2.75Å; N477-L480 PolarHBondContact O-N 2.98Å; N477-N481 WeakPolarHBondContact O-CB 3.06Å; N477-N481 PolarHBondContact O-N 3.24Å; N477-N481 PolarHBondContact O-ND2 3.06Å; N477-N481 VanDerWaalsContact O-ND2 3.14Å
478	E	93.1	Very high	90.2	Very high	135 Å²	135	62.2 Å²	62.2	63%	0.631	32%	0.324	S	S	*	.	H	α-helix	trans	-60.4	-48.4	175.3	-71.4	-176	165.9	0	0	112.1	D474 N481 K482	D474-E478 PolarHBondContact O-N 3.21Å; E478-N481 PolarHBondContact O-N 3.14Å; E478-K482 WeakPolarHBondContact O-CB 3.31Å; E478-K482 PolarHBondContact O-N 3.37Å
479	E	92.4	Very high	89.9	Confident	19 Å²	19	69.3 Å²	69.3	9%	0.089	36%	0.355	C	S	.	.	H	α-helix	trans	-72.4	-28.5	-179.4	-69.6	-86.4	-154	0	0	112.4	V475 K482 L483 T496 Y499 L500 R601	V475-E479 WeakPolarHBondContact O-CB 3.47Å; V475-E479 WeakPolarHBondContact O-CG 3.45Å; V475-E479 PolarHBondContact O-N 3.29Å; E479-K482 VanDerWaalsContact CD-NZ 3.35Å; E479-K482 IonicContact OE1-NZ 3.98Å; E479-K482 PolarHBondContact OE1-NZ 3.19Å; E479-K482 VanDerWaalsContact OE2-CD 3.31Å; E479-K482 WeakPolarHBondContact OE2-CD 3.43Å; E479-K482 WeakPolarHBondContact OE2-CE 3.43Å; E479-K482 IonicContact OE2-NZ 3.77Å; E479-K482 PolarHBondContact OE2-NZ 3.38Å; E479-L483 WeakPolarHBondContact O-CB 3.47Å; E479-L483 PolarHBondContact O-N 3.33Å; E479-T496 HydrophobicContact CB-CG2 4.3Å; E479-T496 WeakPolarHBondContact O-CG2 3.42Å; E479-T496 VanDerWaalsContact OE2-CG2 3.27Å; E479-T496 WeakPolarHBondContact OE2-CG2 3.28Å; E479-Y499 HydrophobicContact CG-CD1 4.07Å; E479-Y499 HydrophobicContact CG-CE1 3.85Å; E479-L500 HydrophobicContact CB-CD1 4.45Å; E479-L500 HydrophobicContact CB-CD2 3.97Å; E479-L500 HydrophobicContact CB-CG 4.23Å; E479-R601 IonicContact OE1-NH1 3.37Å; E479-R601 PolarHBondContact OE1-NH1 3.21Å
480	L	91.9	Very high	89.8	Confident	4 Å²	4	68.6 Å²	68.6	2%	0.021	35%	0.351	C	S	.	.	H	α-helix	trans	-65.6	-47.2	168.5	-79	168.8	0	0	0	111.6	E456 F459 I476 N477 K482 L483 G484 L500	E456-L480 HydrophobicContact CG-CD2 4.22Å; F459-L480 HydrophobicContact CB-CD2 4.1Å; F459-L480 HydrophobicContact CD2-CD2 3.97Å; I476-L480 HydrophobicContact CG2-CD1 3.78Å; I476-L480 HydrophobicContact CG2-CG 4.39Å; I476-L480 VanDerWaalsContact O-CB 3.31Å; I476-L480 WeakPolarHBondContact O-CB 3.18Å; I476-L480 WeakPolarHBondContact O-CG 3.48Å; I476-L480 PolarHBondContact O-N 2.94Å; N477-L480 PolarHBondContact O-N 2.98Å; L480-K482 VanDerWaalsContact C-N 3.28Å; L480-K482 PolarHBondContact O-N 3.34Å; L480-L483 WeakPolarHBondContact O-CB 3.45Å; L480-L483 PolarHBondContact O-N 3.25Å; L480-L483 VanDerWaalsContact O-N 3.14Å; L480-G484 PolarHBondContact O-N 3.47Å; L480-G484 VanDerWaalsContact O-N 3.1Å; L480-L500 HydrophobicContact CD2-CD1 4.03Å; L480-L500 HydrophobicContact CD2-CD2 4.43Å; L480-L500 HydrophobicContact CG-CD1 4.34Å; L480-L500 HydrophobicContact CG-CD2 4.13Å
481	N	91.3	Very high	89.5	Confident	101 Å²	101	64.6 Å²	64.6	54%	0.54	34%	0.342	S	S	.	.	H	α-helix	trans	-59.7	-41.2	176.2	-69.1	-27.8	0	0	0	111.2	N477 E478 G484 L485	N477-N481 WeakPolarHBondContact O-CB 3.06Å; N477-N481 PolarHBondContact O-N 3.24Å; N477-N481 PolarHBondContact O-ND2 3.06Å; N477-N481 VanDerWaalsContact O-ND2 3.14Å; E478-N481 PolarHBondContact O-N 3.14Å; N481-G484 PolarHBondContact O-N 2.82Å; N481-L485 WeakPolarHBondContact O-CG 3.19Å; N481-L485 PolarHBondContact O-N 2.81Å
482	K	90	Very high	89.4	Confident	82 Å²	82	64.3 Å²	64.3	36%	0.357	34%	0.341	S	S	.	.	H	α-helix	trans	-64.5	-39.6	174.2	178.6	174.5	149.3	-147.1	0	112.4	E478 E479 L480 G484 L485 L486	E478-K482 WeakPolarHBondContact O-CB 3.31Å; E478-K482 PolarHBondContact O-N 3.37Å; E479-K482 VanDerWaalsContact CD-NZ 3.35Å; E479-K482 IonicContact OE1-NZ 3.98Å; E479-K482 PolarHBondContact OE1-NZ 3.19Å; E479-K482 VanDerWaalsContact OE2-CD 3.31Å; E479-K482 WeakPolarHBondContact OE2-CD 3.43Å; E479-K482 WeakPolarHBondContact OE2-CE 3.43Å; E479-K482 IonicContact OE2-NZ 3.77Å; E479-K482 PolarHBondContact OE2-NZ 3.38Å; L480-K482 VanDerWaalsContact C-N 3.28Å; L480-K482 PolarHBondContact O-N 3.34Å; K482-G484 PolarHBondContact O-N 2.65Å; K482-L485 PolarHBondContact O-N 2.71Å; K482-L486 HydrophobicContact CG-CD1 3.9Å; K482-L486 HydrophobicContact CG-CG 4.39Å; K482-L486 WeakPolarHBondContact O-CB 3.38Å; K482-L486 VanDerWaalsContact O-CG 3.26Å; K482-L486 WeakPolarHBondContact O-CG 3.47Å; K482-L486 PolarHBondContact O-N 3.14Å
483	L	89.8	Confident	89.3	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-61.6	-42.4	176.2	-171.8	74.2	0	0	0	112.3	I455 F459 E479 L480 L485 L486 F493 T496 R497 L500	I455-L483 HydrophobicContact CG2-CD2 3.92Å; F459-L483 HydrophobicContact CD2-CD2 4.44Å; F459-L483 HydrophobicContact CE2-CD2 4.09Å; E479-L483 WeakPolarHBondContact O-CB 3.47Å; E479-L483 PolarHBondContact O-N 3.33Å; L480-L483 WeakPolarHBondContact O-CB 3.45Å; L480-L483 PolarHBondContact O-N 3.25Å; L480-L483 VanDerWaalsContact O-N 3.14Å; L483-L485 VanDerWaalsContact C-N 3.35Å; L483-L485 PolarHBondContact O-N 2.9Å; L483-L486 PolarHBondContact O-N 3.46Å; L483-F493 HydrophobicContact CD1-CD2 3.55Å; L483-F493 HydrophobicContact CD1-CE2 3.53Å; L483-F493 HydrophobicContact CD1-CG 4.23Å; L483-F493 HydrophobicContact CD1-CZ 4.21Å; L483-F493 HydrophobicContact CG-CD2 4.23Å; L483-F493 HydrophobicContact CG-CE2 3.87Å; L483-T496 HydrophobicContact CB-CG2 4.17Å; L483-T496 HydrophobicContact CD1-CG2 4.13Å; L483-R497 HydrophobicContact CD1-CB 3.98Å; L483-L500 HydrophobicContact CB-CD1 4.13Å; L483-L500 HydrophobicContact CD2-CD1 3.9Å; L483-L500 HydrophobicContact CG-CD1 4.46Å
484	G	85.9	Confident	89.2	Confident	26 Å²	26	65.9 Å²	65.9	27%	0.268	35%	0.35	S	S	.	.	H	α-helix	trans	-63.5	-38.7	177.3	0	0	0	0	0	113	K452 E456 L480 N481 K482	K452-G484 WeakPolarHBondContact CD-O 3.44Å; K452-G484 PolarHBondContact NZ-O 2.7Å; E456-G484 WeakPolarHBondContact OE1-CA 3.5Å; L480-G484 PolarHBondContact O-N 3.47Å; L480-G484 VanDerWaalsContact O-N 3.1Å; N481-G484 PolarHBondContact O-N 2.82Å; K482-G484 PolarHBondContact O-N 2.65Å
485	L	88.5	Confident	89.1	Confident	153 Å²	153	63.8 Å²	63.8	80%	0.801	34%	0.341	S	S	*	.	H	α-helix	trans	-71	-38	177.3	-69.9	169.4	0	0	0	113.5	N481 K482 L483	N481-L485 WeakPolarHBondContact O-CG 3.19Å; N481-L485 PolarHBondContact O-N 2.81Å; K482-L485 PolarHBondContact O-N 2.71Å; L483-L485 VanDerWaalsContact C-N 3.35Å; L483-L485 PolarHBondContact O-N 2.9Å
486	L	87.8	Confident	89	Confident	37 Å²	37	62 Å²	62	19%	0.194	33%	0.33	C	S	.	.	S	Bend	trans	-68.7	141.9	-177.2	-76.6	168.8	0	0	0	112.8	K452 K482 L483 E492 F493	K452-L486 WeakPolarHBondContact CE-O 3.42Å; K452-L486 PolarHBondContact NZ-O 3.07Å; K482-L486 HydrophobicContact CG-CD1 3.9Å; K482-L486 HydrophobicContact CG-CG 4.39Å; K482-L486 WeakPolarHBondContact O-CB 3.38Å; K482-L486 VanDerWaalsContact O-CG 3.26Å; K482-L486 WeakPolarHBondContact O-CG 3.47Å; K482-L486 PolarHBondContact O-N 3.14Å; L483-L486 PolarHBondContact O-N 3.46Å; L486-E492 HydrophobicContact CD1-CB 3.97Å; L486-E492 HydrophobicContact CD2-CB 3.97Å; L486-F493 HydrophobicContact CB-CB 4.19Å; L486-F493 HydrophobicContact CB-CD2 4.18Å
487	D	84.6	Confident	88.9	Confident	90 Å²	90	67.4 Å²	67.4	48%	0.481	35%	0.35	S	S	.	.			trans	-73.9	145.3	173.3	178.8	55.5	0	0	0	112.9	H489 S490 F493	D487-H489 PolarHBondContact O-N 2.9Å; D487-H489 VanDerWaalsContact O-N 3.15Å; D487-H489 WeakPolarHBondContact OD2-CB 3.37Å; D487-H489 IonicContact OD2-CD2 3.88Å; D487-H489 PolarHBondContact OD2-CD2 2.72Å; D487-H489 IonicContact OD2-CG 3.61Å; D487-H489 PolarHBondContact OD2-N 2.89Å; D487-S490 VanDerWaalsContact O-CB 3.25Å; D487-S490 WeakPolarHBondContact O-CB 3.4Å; D487-S490 PolarHBondContact O-N 3.33Å; D487-F493 WeakPolarHBondContact O-CB 3.19Å
488	N	83.8	Confident	88.8	Confident	59 Å²	59	67.4 Å²	67.4	32%	0.316	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-23.7	-176.4	-71.4	1.4	0	0	0	113.7	K452 F493	K452-N488 VanDerWaalsContact CE-OD1 3.31Å; K452-N488 WeakPolarHBondContact CE-OD1 3.29Å; K452-N488 WeakPolarHBondContact CG-OD1 3.4Å; N488-F493 HydrophobicContact CB-CE1 4.49Å; N488-F493 WeakPolarHBondContact OD1-CZ 3.41Å
489	H	83.1	Confident	88.8	Confident	175 Å²	175	61 Å²	61	81%	0.81	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-3.2	178.2	-61.2	-82.7	0	0	0	113.6	D487	D487-H489 PolarHBondContact O-N 2.9Å; D487-H489 VanDerWaalsContact O-N 3.15Å; D487-H489 WeakPolarHBondContact OD2-CB 3.37Å; D487-H489 IonicContact OD2-CD2 3.88Å; D487-H489 PolarHBondContact OD2-CD2 2.72Å; D487-H489 IonicContact OD2-CG 3.61Å; D487-H489 PolarHBondContact OD2-N 2.89Å
490	S	87.8	Confident	88.8	Confident	39 Å²	39	60.1 Å²	60.1	27%	0.273	32%	0.316	S	S	.	.	S	Bend	trans	-73.4	143.5	178.4	-175.9	0	0	0	0	112.7	D487 E492 F493 N494	D487-S490 VanDerWaalsContact O-CB 3.25Å; D487-S490 WeakPolarHBondContact O-CB 3.4Å; D487-S490 PolarHBondContact O-N 3.33Å; S490-E492 PolarHBondContact O-N 3.03Å; S490-E492 PolarHBondContact OG-N 2.85Å; S490-F493 PolarHBondContact O-N 2.94Å; S490-N494 PolarHBondContact O-N 2.63Å
491	S	84.7	Confident	88.9	Confident	82 Å²	82	62.2 Å²	62.2	57%	0.573	33%	0.327	S	S	*	.	H	α-helix	trans	-57.3	-40.7	168.1	52.9	0	0	0	0	111.5	F493 N494 V495	S491-F493 VanDerWaalsContact C-N 3.29Å; S491-F493 PolarHBondContact O-N 2.87Å; S491-N494 PolarHBondContact O-N 2.86Å; S491-N494 VanDerWaalsContact O-N 3.14Å; S491-V495 WeakPolarHBondContact O-CG2 3.41Å; S491-V495 PolarHBondContact O-N 2.73Å
492	E	87.1	Confident	89	Confident	90 Å²	90	59.3 Å²	59.3	42%	0.421	31%	0.309	S	S	.	.	H	α-helix	trans	-65.7	-31.5	-178.6	-61.2	-47.6	110.2	0	0	112.6	L486 S490 V495 T496	L486-E492 HydrophobicContact CD1-CB 3.97Å; L486-E492 HydrophobicContact CD2-CB 3.97Å; S490-E492 PolarHBondContact O-N 3.03Å; S490-E492 PolarHBondContact OG-N 2.85Å; E492-V495 PolarHBondContact O-N 3.23Å; E492-T496 WeakPolarHBondContact O-CB 3.33Å; E492-T496 PolarHBondContact O-N 2.74Å; E492-T496 PolarHBondContact O-OG1 3.26Å
493	F	90.5	Very high	89.1	Confident	10 Å²	10	55.4 Å²	55.4	4%	0.044	29%	0.292	C	S	.	.	H	α-helix	trans	-64.5	-43.4	174.2	178.8	-94.7	0	0	0	110.5	K452 I455 L483 L486 D487 N488 S490 S491 R497	K452-F493 HydrophobicContact CG-CE2 4.48Å; I455-F493 HydrophobicContact CD1-CZ 4.32Å; L483-F493 HydrophobicContact CD1-CD2 3.55Å; L483-F493 HydrophobicContact CD1-CE2 3.53Å; L483-F493 HydrophobicContact CD1-CG 4.23Å; L483-F493 HydrophobicContact CD1-CZ 4.21Å; L483-F493 HydrophobicContact CG-CD2 4.23Å; L483-F493 HydrophobicContact CG-CE2 3.87Å; L486-F493 HydrophobicContact CB-CB 4.19Å; L486-F493 HydrophobicContact CB-CD2 4.18Å; D487-F493 WeakPolarHBondContact O-CB 3.19Å; N488-F493 HydrophobicContact CB-CE1 4.49Å; N488-F493 WeakPolarHBondContact OD1-CZ 3.41Å; S490-F493 PolarHBondContact O-N 2.94Å; S491-F493 VanDerWaalsContact C-N 3.29Å; S491-F493 PolarHBondContact O-N 2.87Å; F493-R497 WeakPolarHBondContact O-CB 3.43Å; F493-R497 PolarHBondContact O-N 3.21Å
494	N	88.7	Confident	89.2	Confident	90 Å²	90	55.4 Å²	55.4	48%	0.481	29%	0.292	S	S	.	.	H	α-helix	trans	-68.2	-40.4	175.6	-173.7	51.5	0	0	0	112.2	S490 S491 N498	S490-N494 PolarHBondContact O-N 2.63Å; S491-N494 PolarHBondContact O-N 2.86Å; S491-N494 VanDerWaalsContact O-N 3.14Å; N494-N498 WeakPolarHBondContact O-CB 3.43Å; N494-N498 VanDerWaalsContact O-CG 3.31Å; N494-N498 PolarHBondContact O-N 3.23Å; N494-N498 PolarHBondContact O-ND2 3.43Å; N494-N498 PolarHBondContact OD1-ND2 2.92Å
495	V	90.8	Very high	89.4	Confident	47 Å²	47	55.2 Å²	55.2	29%	0.285	29%	0.287	S	S	.	.	H	α-helix	trans	-62.8	-51.5	176.1	174.9	0	0	0	0	110.9	S491 E492 R497 N498 Y499	S491-V495 WeakPolarHBondContact O-CG2 3.41Å; S491-V495 PolarHBondContact O-N 2.73Å; E492-V495 PolarHBondContact O-N 3.23Å; V495-R497 PolarHBondContact O-N 3.29Å; V495-N498 PolarHBondContact O-N 3Å; V495-Y499 PolarHBondContact O-N 3.47Å
496	T	91.3	Very high	89.6	Confident	2 Å²	2	48 Å²	48	1%	0.012	25%	0.249	C	C	.	.	H	α-helix	trans	-60.7	-44.4	179.1	-55.7	0	0	0	0	111.5	E479 L483 E492 N498 Y499 L500	E479-T496 HydrophobicContact CB-CG2 4.3Å; E479-T496 WeakPolarHBondContact O-CG2 3.42Å; E479-T496 VanDerWaalsContact OE2-CG2 3.27Å; E479-T496 WeakPolarHBondContact OE2-CG2 3.28Å; L483-T496 HydrophobicContact CB-CG2 4.17Å; L483-T496 HydrophobicContact CD1-CG2 4.13Å; E492-T496 WeakPolarHBondContact O-CB 3.33Å; E492-T496 PolarHBondContact O-N 2.74Å; E492-T496 PolarHBondContact O-OG1 3.26Å; T496-N498 PolarHBondContact O-N 2.57Å; T496-Y499 PolarHBondContact O-N 2.96Å; T496-L500 HydrophobicContact CG2-CD1 4.09Å; T496-L500 WeakPolarHBondContact O-CB 3.13Å; T496-L500 WeakPolarHBondContact O-CG 3.2Å; T496-L500 PolarHBondContact O-N 2.78Å
497	R	91	Very high	89.8	Confident	112 Å²	112	46.5 Å²	46.5	42%	0.423	24%	0.241	S	C	.	.	H	α-helix	trans	-60.2	-41.8	175.4	178.1	-178.4	172	178.9	-0.1	112.9	F459 L483 F493 V495 D501	F459-R497 HydrophobicContact CZ-CG 4.44Å; L483-R497 HydrophobicContact CD1-CB 3.98Å; F493-R497 WeakPolarHBondContact O-CB 3.43Å; F493-R497 PolarHBondContact O-N 3.21Å; V495-R497 PolarHBondContact O-N 3.29Å; R497-D501 PolarHBondContact O-N 3.25Å
498	N	91.6	Very high	90	Very high	63 Å²	63	42.8 Å²	42.8	34%	0.337	22%	0.22	S	C	.	.	H	α-helix	trans	-70.7	-41	178.4	-74	-51.1	0	0	0	111.1	N494 V495 T496 L500 D501 W502	N494-N498 WeakPolarHBondContact O-CB 3.43Å; N494-N498 VanDerWaalsContact O-CG 3.31Å; N494-N498 PolarHBondContact O-N 3.23Å; N494-N498 PolarHBondContact O-ND2 3.43Å; N494-N498 PolarHBondContact OD1-ND2 2.92Å; V495-N498 PolarHBondContact O-N 3Å; T496-N498 PolarHBondContact O-N 2.57Å; N498-L500 PolarHBondContact O-N 2.97Å; N498-D501 PolarHBondContact O-N 2.99Å; N498-D501 VanDerWaalsContact O-N 3.17Å; N498-W502 PolarHBondContact O-N 2.92Å
499	Y	93.3	Very high	90.2	Very high	1 Å²	1	41.6 Å²	41.6	0%	0.004	22%	0.223	C	C	.	.	H	α-helix	trans	-58.5	-45.7	173.5	177.5	-129.1	0	0	0	111.9	V475 E479 V495 T496 D501 W502 L503 R601 Y661 L662	V475-Y499 HydrophobicContact CG1-CE1 4.38Å; E479-Y499 HydrophobicContact CG-CD1 4.07Å; E479-Y499 HydrophobicContact CG-CE1 3.85Å; V495-Y499 PolarHBondContact O-N 3.47Å; T496-Y499 PolarHBondContact O-N 2.96Å; Y499-D501 PolarHBondContact O-N 3.44Å; Y499-W502 WeakPolarHBondContact O-CB 3.31Å; Y499-W502 PolarHBondContact O-N 3.38Å; Y499-W502 VanDerWaalsContact O-N 3.14Å; Y499-L503 HydrophobicContact CD1-CD1 4.24Å; Y499-L503 HydrophobicContact CD2-CD1 4.4Å; Y499-L503 HydrophobicContact CD2-CG 4.25Å; Y499-L503 HydrophobicContact CE1-CD1 3.66Å; Y499-L503 HydrophobicContact CE1-CG 4.47Å; Y499-L503 HydrophobicContact CE2-CD1 3.83Å; Y499-L503 HydrophobicContact CE2-CD2 4.11Å; Y499-L503 HydrophobicContact CE2-CG 3.76Å; Y499-L503 VanDerWaalsContact CZ-CD1 3.43Å; Y499-L503 PolarHBondContact O-N 2.96Å; Y499-R601 VanDerWaalsContact CE1-CZ 3.42Å; Y499-R601 PolarHBondContact OH-NH2 2.72Å; Y499-Y661 HydrophobicContact CD2-CE1 4.39Å; Y499-L662 HydrophobicContact CD2-CD2 4.35Å; Y499-L662 HydrophobicContact CE2-CD2 4.01Å; Y499-L662 WeakPolarHBondContact CE2-O 3.46Å; Y499-L662 PolarHBondContact OH-O 2.88Å
500	L	92.6	Very high	90.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-63.9	-36.2	173.1	-74.6	168.6	0	0	0	113.3	F459 E479 L480 L483 T496 N498 W502 T504	F459-L500 HydrophobicContact CD2-CB 4.09Å; F459-L500 HydrophobicContact CD2-CD1 4.29Å; F459-L500 HydrophobicContact CE1-CB 4.39Å; F459-L500 HydrophobicContact CE2-CB 3.64Å; F459-L500 HydrophobicContact CE2-CD1 4.1Å; F459-L500 HydrophobicContact CZ-CB 3.81Å; E479-L500 HydrophobicContact CB-CD1 4.45Å; E479-L500 HydrophobicContact CB-CD2 3.97Å; E479-L500 HydrophobicContact CB-CG 4.23Å; L480-L500 HydrophobicContact CD2-CD1 4.03Å; L480-L500 HydrophobicContact CD2-CD2 4.43Å; L480-L500 HydrophobicContact CG-CD1 4.34Å; L480-L500 HydrophobicContact CG-CD2 4.13Å; L483-L500 HydrophobicContact CB-CD1 4.13Å; L483-L500 HydrophobicContact CD2-CD1 3.9Å; L483-L500 HydrophobicContact CG-CD1 4.46Å; T496-L500 HydrophobicContact CG2-CD1 4.09Å; T496-L500 WeakPolarHBondContact O-CB 3.13Å; T496-L500 WeakPolarHBondContact O-CG 3.2Å; T496-L500 PolarHBondContact O-N 2.78Å; N498-L500 PolarHBondContact O-N 2.97Å; L500-W502 VanDerWaalsContact C-N 3.32Å; L500-W502 PolarHBondContact O-N 2.88Å; L500-T504 VanDerWaalsContact O-CB 3.3Å; L500-T504 WeakPolarHBondContact O-CB 3.43Å; L500-T504 VanDerWaalsContact O-CG2 3.29Å; L500-T504 WeakPolarHBondContact O-CG2 3.43Å; L500-T504 PolarHBondContact O-N 3.5Å; L500-T504 PolarHBondContact O-OG1 2.92Å
501	D	92.3	Very high	90.4	Very high	47 Å²	47	38 Å²	38	25%	0.251	21%	0.208	S	C	.	.	H	α-helix	trans	-67.2	-31.7	172.2	-174.1	79.9	0	0	0	112.3	F459 R462 R497 N498 Y499 S505 K616	F459-D501 HydrophobicContact CE1-CB 4.1Å; F459-D501 HydrophobicContact CZ-CB 4.33Å; R462-D501 IonicContact CZ-OD1 2.71Å; R462-D501 VanDerWaalsContact CZ-OD1 3.25Å; R462-D501 IonicContact NH1-OD1 3.2Å; R462-D501 PolarHBondContact NH1-OD1 3.06Å; R462-D501 IonicContact NH2-OD1 2.6Å; R462-D501 PolarHBondContact NH2-OD1 3.33Å; R497-D501 PolarHBondContact O-N 3.25Å; N498-D501 PolarHBondContact O-N 2.99Å; N498-D501 VanDerWaalsContact O-N 3.17Å; Y499-D501 PolarHBondContact O-N 3.44Å; D501-S505 WeakPolarHBondContact O-CB 3.33Å; D501-S505 PolarHBondContact O-N 2.82Å; D501-S505 PolarHBondContact O-OG 2.65Å; D501-K616 PolarHBondContact O-NZ 3.39Å; D501-K616 IonicContact OD2-NZ 2.7Å; D501-K616 PolarHBondContact OD2-NZ 2.96Å
502	W	93.4	Very high	90.5	Very high	40 Å²	40	35 Å²	35	15%	0.152	19%	0.187	C	C	.	.	H	α-helix	trans	-67.3	-58.3	170.4	-76.4	105.9	0	0	0	111.2	N498 Y499 L500 T504 S505 M506 P608 I612 Q613 K616 Y661 L662	N498-W502 PolarHBondContact O-N 2.92Å; Y499-W502 WeakPolarHBondContact O-CB 3.31Å; Y499-W502 PolarHBondContact O-N 3.38Å; Y499-W502 VanDerWaalsContact O-N 3.14Å; L500-W502 VanDerWaalsContact C-N 3.32Å; L500-W502 PolarHBondContact O-N 2.88Å; W502-T504 PolarHBondContact O-N 3.34Å; W502-S505 PolarHBondContact O-N 2.85Å; W502-M506 WeakPolarHBondContact O-CG 3.42Å; W502-M506 PolarHBondContact O-N 3.1Å; W502-P608 HydrophobicContact CD2-CG 3.7Å; W502-P608 HydrophobicContact CE3-CG 3.72Å; W502-P608 HydrophobicContact CG-CG 4.43Å; W502-P608 HydrophobicContact CH2-CG 3.71Å; W502-P608 HydrophobicContact CZ2-CG 3.68Å; W502-P608 HydrophobicContact CZ3-CG 3.7Å; W502-I612 HydrophobicContact CE3-CG2 4.01Å; W502-I612 HydrophobicContact CZ3-CG2 4.31Å; W502-Q613 HydrophobicContact CH2-CG 4.19Å; W502-Q613 HydrophobicContact CZ3-CG 4.46Å; W502-K616 HydrophobicContact CD2-CD 4.21Å; W502-K616 HydrophobicContact CE3-CD 3.41Å; W502-K616 VanDerWaalsContact CE3-CD 3.41Å; W502-K616 HydrophobicContact CH2-CD 4Å; W502-K616 HydrophobicContact CZ3-CB 4.09Å; W502-K616 HydrophobicContact CZ3-CD 3.3Å; W502-K616 HydrophobicContact CZ3-CG 4.27Å; W502-Y661 HydrophobicContact CB-CE1 4.32Å; W502-Y661 AromaticContact CD1-CE1 3.49Å; W502-Y661 VanDerWaalsContact CD1-CE1 3.49Å; W502-Y661 AromaticContact CD1-CZ 3.9Å; W502-Y661 AromaticContact CG-CE1 3.98Å; W502-Y661 HydrophobicContact CG-CE1 3.98Å; W502-L662 HydrophobicContact CB-CD2 4.18Å
503	L	92.5	Very high	90.5	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-54.1	-47	179.3	-73.7	178.2	0	0	0	113.1	I472 I476 Y499 S505 M506 W508 L662 V664	I472-L503 HydrophobicContact CG2-CD2 4.36Å; I476-L503 HydrophobicContact CD1-CB 4.36Å; I476-L503 HydrophobicContact CG1-CB 4.22Å; I476-L503 HydrophobicContact CG1-CD1 3.79Å; Y499-L503 HydrophobicContact CD1-CD1 4.24Å; Y499-L503 HydrophobicContact CD2-CD1 4.4Å; Y499-L503 HydrophobicContact CD2-CG 4.25Å; Y499-L503 HydrophobicContact CE1-CD1 3.66Å; Y499-L503 HydrophobicContact CE1-CG 4.47Å; Y499-L503 HydrophobicContact CE2-CD1 3.83Å; Y499-L503 HydrophobicContact CE2-CD2 4.11Å; Y499-L503 HydrophobicContact CE2-CG 3.76Å; Y499-L503 VanDerWaalsContact CZ-CD1 3.43Å; Y499-L503 PolarHBondContact O-N 2.96Å; L503-S505 PolarHBondContact O-N 2.7Å; L503-M506 PolarHBondContact O-N 2.94Å; L503-W508 PolarHBondContact O-NE1 2.97Å; L503-W508 VanDerWaalsContact O-NE1 3.07Å; L503-L662 HydrophobicContact CD2-CD2 4.14Å; L503-V664 HydrophobicContact CD2-CG2 4.05Å
504	T	91.8	Very high	90.1	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-4.7	179.9	64.5	0	0	0	0	114	F459 R462 L463 R466 L500 W502	F459-T504 HydrophobicContact CB-CG2 4.06Å; F459-T504 HydrophobicContact CD1-CG2 4.01Å; F459-T504 VanDerWaalsContact CD1-OG1 3.26Å; F459-T504 WeakPolarHBondContact CD1-OG1 3.32Å; F459-T504 HydrophobicContact CG-CG2 4.24Å; R462-T504 PolarHBondContact NH1-OG1 2.83Å; L463-T504 HydrophobicContact CD1-CG2 4.13Å; L463-T504 HydrophobicContact CD2-CG2 4.3Å; L463-T504 HydrophobicContact CG-CG2 4.21Å; R466-T504 PolarHBondContact NH1-O 2.95Å; L500-T504 VanDerWaalsContact O-CB 3.3Å; L500-T504 WeakPolarHBondContact O-CB 3.43Å; L500-T504 VanDerWaalsContact O-CG2 3.29Å; L500-T504 WeakPolarHBondContact O-CG2 3.43Å; L500-T504 PolarHBondContact O-N 3.5Å; L500-T504 PolarHBondContact O-OG1 2.92Å; W502-T504 PolarHBondContact O-N 3.34Å
505	S	91.3	Very high	90	Very high	23 Å²	23	40 Å²	40	16%	0.161	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-10.4	169.4	-64.1	0	0	0	0	113.7	D501 W502 L503 K616	D501-S505 WeakPolarHBondContact O-CB 3.33Å; D501-S505 PolarHBondContact O-N 2.82Å; D501-S505 PolarHBondContact O-OG 2.65Å; W502-S505 PolarHBondContact O-N 2.85Å; L503-S505 PolarHBondContact O-N 2.7Å; S505-K616 VanDerWaalsContact OG-CE 3.25Å; S505-K616 WeakPolarHBondContact OG-CE 3.17Å; S505-K616 PolarHBondContact OG-NZ 3.27Å
506	M	91.4	Very high	89.7	Confident	1 Å²	1	39.6 Å²	39.6	1%	0.005	21%	0.205	C	C	.	.	S	Bend	trans	-72.6	142.5	-179.6	-69.3	-64.4	-80.3	0	0	111.7	R466 W502 L503 W508 I612 L615 L662 V666	R466-M506 PolarHBondContact NH1-O 3.48Å; W502-M506 WeakPolarHBondContact O-CG 3.42Å; W502-M506 PolarHBondContact O-N 3.1Å; L503-M506 PolarHBondContact O-N 2.94Å; M506-W508 HydrophobicContact CB-CD2 4.11Å; M506-W508 HydrophobicContact CB-CG 4.47Å; M506-W508 HydrophobicContact CB-CH2 4.46Å; M506-W508 HydrophobicContact CB-CZ2 3.71Å; M506-W508 HydrophobicContact CG-CZ2 4.08Å; M506-W508 PolarHBondContact O-N 2.9Å; M506-I612 HydrophobicContact CE-CD1 3.92Å; M506-I612 HydrophobicContact CE-CG2 4.2Å; M506-I612 HydrophobicContact SD-CG2 3.78Å; M506-L615 HydrophobicContact CE-CB 3.75Å; M506-L615 HydrophobicContact CE-CD1 3.57Å; M506-L615 HydrophobicContact CE-CG 4.31Å; M506-L615 HydrophobicContact SD-CB 4.05Å; M506-L662 HydrophobicContact CE-CD1 4.4Å; M506-V666 HydrophobicContact CE-CG1 4.33Å
507	P	91.8	Very high	89.6	Confident	6 Å²	6	41.9 Å²	41.9	4%	0.039	22%	0.221	C	C	.	.			trans	-81	43	-169.5	34.5	-37.9	0	0	0	114.4	G509 T510 L615 E621	P507-G509 PolarHBondContact O-N 3Å; P507-T510 VanDerWaalsContact C-OG1 3.28Å; P507-T510 WeakPolarHBondContact CA-OG1 3.32Å; P507-T510 VanDerWaalsContact CB-OG1 3.28Å; P507-T510 WeakPolarHBondContact CB-OG1 3.36Å; P507-T510 PolarHBondContact O-N 3.28Å; P507-T510 PolarHBondContact O-OG1 2.64Å; P507-L615 HydrophobicContact CG-CB 4.14Å; P507-L615 HydrophobicContact CG-CD2 4.35Å; P507-E621 VanDerWaalsContact O-CG 3.28Å; P507-E621 WeakPolarHBondContact O-CG 3.36Å
508	W	90.4	Very high	89.6	Confident	11 Å²	11	39.5 Å²	39.5	4%	0.042	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	120.9	-174.5	-54	119.9	0	0	0	113.2	N467 V468 I472 L503 M506 T510 E621 V666	N467-W508 CarbonylContact O-C 3.55Å; V468-W508 HydrophobicContact CB-CB 4.48Å; V468-W508 HydrophobicContact CG1-CG 4.36Å; V468-W508 HydrophobicContact CG2-CB 3.99Å; V468-W508 HydrophobicContact CG2-CG 4.1Å; I472-W508 HydrophobicContact CD1-CE3 4.13Å; I472-W508 HydrophobicContact CD1-CH2 3.38Å; I472-W508 HydrophobicContact CD1-CZ2 3.81Å; I472-W508 HydrophobicContact CD1-CZ3 3.55Å; I472-W508 HydrophobicContact CG2-CZ2 3.99Å; L503-W508 PolarHBondContact O-NE1 2.97Å; L503-W508 VanDerWaalsContact O-NE1 3.07Å; M506-W508 HydrophobicContact CB-CD2 4.11Å; M506-W508 HydrophobicContact CB-CG 4.47Å; M506-W508 HydrophobicContact CB-CH2 4.46Å; M506-W508 HydrophobicContact CB-CZ2 3.71Å; M506-W508 HydrophobicContact CG-CZ2 4.08Å; M506-W508 PolarHBondContact O-N 2.9Å; W508-T510 PolarHBondContact O-N 3.07Å; W508-E621 WeakPolarHBondContact CA-OE1 3.38Å; W508-V666 HydrophobicContact CH2-CG2 4.33Å
509	G	86.2	Confident	89.6	Confident	35 Å²	35	44.7 Å²	44.7	36%	0.361	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.7	7.3	-179.6	0	0	0	0	0	115.6	P507 E621	P507-G509 PolarHBondContact O-N 3Å; G509-E621 PolarHBondContact N-OE1 3.5Å
510	T	87.8	Confident	89.5	Confident	48 Å²	48	49.5 Å²	49.5	29%	0.294	25%	0.251	S	S	.	.			trans	-105.6	107.9	-177.7	60	0	0	0	0	112.2	P507 W508 T620 E621	P507-T510 VanDerWaalsContact C-OG1 3.28Å; P507-T510 WeakPolarHBondContact CA-OG1 3.32Å; P507-T510 VanDerWaalsContact CB-OG1 3.28Å; P507-T510 WeakPolarHBondContact CB-OG1 3.36Å; P507-T510 PolarHBondContact O-N 3.28Å; P507-T510 PolarHBondContact O-OG1 2.64Å; W508-T510 PolarHBondContact O-N 3.07Å; T510-T620 CarbonylContact O-C 3.55Å; T510-T620 VanDerWaalsContact O-CA 3.31Å; T510-T620 WeakPolarHBondContact O-CA 3.3Å; T510-E621 PolarHBondContact O-N 2.89Å
511	N	87.3	Confident	89.5	Confident	89 Å²	89	49.5 Å²	49.5	48%	0.476	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-101.5	150.5	176.6	-69.3	-26.1	0	0	0	111.4
512	S	87.3	Confident	89.6	Confident	19 Å²	19	55.3 Å²	55.3	13%	0.133	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-78.6	142.1	161.6	51.8	0	0	0	0	111	E514 N622	S512-E514 PolarHBondContact O-N 3.37Å; S512-N622 PolarHBondContact N-OD1 3.43Å; S512-N622 PolarHBondContact O-ND2 3.34Å; S512-N622 PolarHBondContact OG-ND2 3.36Å; S512-N622 PolarHBondContact OG-OD1 2.82Å
513	E	86.5	Confident	89.6	Confident	170 Å²	170	58.5 Å²	58.5	79%	0.794	29%	0.286	S	S	*	.	P	Polyproline II helix	trans	-67.7	118.4	176	-66.8	-177.1	168.3	0	0	110.7	N579	E513-N579 WeakPolarHBondContact O-CB 3.15Å; E513-N579 PolarHBondContact O-ND2 3.36Å
514	E	83.6	Confident	89.7	Confident	74 Å²	74	58.9 Å²	58.9	35%	0.346	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-90.6	130	-171.9	-56.5	-166.7	-152.7	0	0	112.4	S512 L578 R580 N622	S512-E514 PolarHBondContact O-N 3.37Å; E514-L578 WeakPolarHBondContact CA-O 3.32Å; E514-R580 VanDerWaalsContact CD-NE 3.3Å; E514-R580 IonicContact OE1-CZ 2.87Å; E514-R580 IonicContact OE1-NE 3.17Å; E514-R580 IonicContact OE1-NH2 3.57Å; E514-R580 PolarHBondContact OE1-NH2 3.13Å; E514-R580 IonicContact OE2-CZ 2.67Å; E514-R580 VanDerWaalsContact OE2-CZ 3.25Å; E514-R580 IonicContact OE2-NE 3.22Å; E514-R580 PolarHBondContact OE2-NE 2.94Å; E514-R580 IonicContact OE2-NH2 2.96Å; E514-R580 PolarHBondContact OE2-NH2 3.2Å; E514-N622 WeakPolarHBondContact CG-ND2 3.47Å; E514-N622 PolarHBondContact OE1-ND2 3.05Å
515	N	85.6	Confident	89.7	Confident	52 Å²	52	59 Å²	59	28%	0.278	29%	0.289	S	S	.	.			trans	-100.3	100.4	176.9	-161.4	-43.5	0	0	0	111.2	S517 R520 L578 N579	N515-S517 VanDerWaalsContact C-N 3.31Å; N515-S517 PolarHBondContact O-N 3.04Å; N515-S517 WeakPolarHBondContact OD1-CB 3.43Å; N515-S517 PolarHBondContact OD1-N 2.84Å; N515-S517 VanDerWaalsContact OD1-N 3.12Å; N515-R520 WeakPolarHBondContact ND2-CD 3.4Å; N515-L578 PolarHBondContact N-O 3.26Å; N515-N579 HydrophobicContact CB-CB 4.25Å
516	L	84	Confident	89.7	Confident	39 Å²	39	61.8 Å²	61.8	20%	0.204	30%	0.299	C	S	.	.			trans	-92	20.1	-179.7	-56.8	175.6	0	0	0	113	L518 Q547 L578	L516-L518 PolarHBondContact O-N 2.98Å; L516-Q547 HydrophobicContact CB-CB 4.27Å; L516-Q547 HydrophobicContact CB-CG 4.15Å; L516-L578 HydrophobicContact CD2-CD2 3.96Å
517	S	89.2	Confident	89.7	Confident	49 Å²	49	66.5 Å²	66.5	34%	0.343	32%	0.321	S	S	.	.			trans	-76.7	108.9	178.8	-178.9	0	0	0	0	112	N515 Y519 R520 A521	N515-S517 VanDerWaalsContact C-N 3.31Å; N515-S517 PolarHBondContact O-N 3.04Å; N515-S517 WeakPolarHBondContact OD1-CB 3.43Å; N515-S517 PolarHBondContact OD1-N 2.84Å; N515-S517 VanDerWaalsContact OD1-N 3.12Å; S517-Y519 PolarHBondContact O-N 3.38Å; S517-R520 PolarHBondContact O-N 2.94Å; S517-A521 WeakPolarHBondContact O-CB 3.44Å; S517-A521 PolarHBondContact O-N 2.87Å
518	L	90.9	Very high	89.6	Confident	62 Å²	62	68.5 Å²	68.5	33%	0.325	33%	0.332	S	S	.	.	H	α-helix	trans	-56	-32.7	176	-66	173.4	0	0	0	113.6	L516 R522 L540 I543 A544	L516-L518 PolarHBondContact O-N 2.98Å; L518-R522 WeakPolarHBondContact O-CB 3.42Å; L518-R522 PolarHBondContact O-N 3Å; L518-L540 HydrophobicContact CD2-CD2 4.34Å; L518-L540 WeakPolarHBondContact CD2-O 3.5Å; L518-I543 HydrophobicContact CD2-CB 3.92Å; L518-I543 HydrophobicContact CD2-CG2 3.72Å; L518-A544 HydrophobicContact CD1-CB 4.02Å; L518-A544 HydrophobicContact CD2-CB 4.07Å
519	Y	92.6	Very high	89.6	Confident	173 Å²	173	68.5 Å²	68.5	68%	0.678	33%	0.332	S	S	*	.	H	α-helix	trans	-63.8	-54	176.4	-178.5	-82.6	0	0	0	111	S517 A521 R522 E523	S517-Y519 PolarHBondContact O-N 3.38Å; Y519-A521 VanDerWaalsContact C-N 3.32Å; Y519-A521 PolarHBondContact O-N 3.39Å; Y519-R522 PolarHBondContact O-N 3.43Å; Y519-E523 PolarHBondContact O-N 3Å
520	R	91.8	Very high	89.8	Confident	101 Å²	101	70.4 Å²	70.4	38%	0.381	33%	0.329	S	S	.	.	H	α-helix	trans	-63.4	-38.4	178.6	179.9	-173.8	169.8	112.9	-6.7	111.6	N515 S517 E523 V524	N515-R520 WeakPolarHBondContact ND2-CD 3.4Å; S517-R520 PolarHBondContact O-N 2.94Å; R520-E523 PolarHBondContact O-N 3.15Å; R520-V524 HydrophobicContact CG-CG2 4.45Å; R520-V524 WeakPolarHBondContact O-CG2 3.41Å; R520-V524 PolarHBondContact O-N 2.82Å
521	A	92.4	Very high	89.6	Confident	1 Å²	1	68.7 Å²	68.7	1%	0.008	32%	0.321	C	S	.	.	H	α-helix	trans	-62.3	-43.3	176.3	0	0	0	0	0	111.7	S517 Y519 L525 L540 I543 A577	S517-A521 WeakPolarHBondContact O-CB 3.44Å; S517-A521 PolarHBondContact O-N 2.87Å; Y519-A521 VanDerWaalsContact C-N 3.32Å; Y519-A521 PolarHBondContact O-N 3.39Å; A521-L525 WeakPolarHBondContact O-CB 3.41Å; A521-L525 WeakPolarHBondContact O-CD1 3.32Å; A521-L525 WeakPolarHBondContact O-CG 3.24Å; A521-L525 PolarHBondContact O-N 3.2Å; A521-L540 HydrophobicContact CB-CD2 3.91Å; A521-I543 HydrophobicContact CB-CD1 3.7Å; A521-A577 HydrophobicContact CB-CB 4.19Å
522	R	93.8	Very high	89.5	Confident	168 Å²	168	65.7 Å²	65.7	63%	0.634	31%	0.305	S	S	*	.	H	α-helix	trans	-64.3	-44.2	175.1	-175.1	177.2	-178.1	175	1.6	112	L518 Y519 L525 E526 L540	L518-R522 WeakPolarHBondContact O-CB 3.42Å; L518-R522 PolarHBondContact O-N 3Å; Y519-R522 PolarHBondContact O-N 3.43Å; R522-L525 PolarHBondContact O-N 2.86Å; R522-E526 WeakPolarHBondContact O-CB 3.36Å; R522-E526 PolarHBondContact O-N 2.93Å; R522-L540 HydrophobicContact CB-CD1 4.12Å; R522-L540 HydrophobicContact CB-CD2 4.14Å; R522-L540 HydrophobicContact CG-CD1 4.21Å
523	E	93.9	Very high	89.4	Confident	108 Å²	108	69.1 Å²	69.1	51%	0.505	32%	0.321	S	S	.	.	H	α-helix	trans	-58.5	-50.9	177.8	-175.5	172.5	-145.3	0	0	111.7	Y519 R520 L525 E526 E527	Y519-E523 PolarHBondContact O-N 3Å; R520-E523 PolarHBondContact O-N 3.15Å; E523-L525 PolarHBondContact O-N 2.98Å; E523-E526 PolarHBondContact O-N 2.81Å; E523-E527 WeakPolarHBondContact O-CB 3.34Å; E523-E527 PolarHBondContact O-N 3.48Å
524	V	94	Very high	89.4	Confident	8 Å²	8	66.4 Å²	66.4	5%	0.048	31%	0.312	C	S	.	.	H	α-helix	trans	-63.6	-38.6	178.1	169.7	0	0	0	0	112.6	R520 E527 D528 R576 A577	R520-V524 HydrophobicContact CG-CG2 4.45Å; R520-V524 WeakPolarHBondContact O-CG2 3.41Å; R520-V524 PolarHBondContact O-N 2.82Å; V524-E527 PolarHBondContact O-N 2.91Å; V524-D528 PolarHBondContact O-N 3.2Å; V524-R576 HydrophobicContact CG1-CB 4.16Å; V524-R576 HydrophobicContact CG1-CG 3.83Å; V524-A577 HydrophobicContact CB-CB 4.31Å; V524-A577 HydrophobicContact CG1-CB 4.2Å
525	L	92.3	Very high	89.7	Confident	2 Å²	2	63.3 Å²	63.3	1%	0.01	30%	0.299	C	S	.	.	H	α-helix	trans	-70.5	-30	177.7	-71.9	167.9	0	0	0	112.8	A521 R522 E523 H529 K536 I539 L540 I570 I574	A521-L525 WeakPolarHBondContact O-CB 3.41Å; A521-L525 WeakPolarHBondContact O-CD1 3.32Å; A521-L525 WeakPolarHBondContact O-CG 3.24Å; A521-L525 PolarHBondContact O-N 3.2Å; R522-L525 PolarHBondContact O-N 2.86Å; E523-L525 PolarHBondContact O-N 2.98Å; L525-H529 PolarHBondContact O-N 3.08Å; L525-K536 HydrophobicContact CB-CG 4.39Å; L525-K536 WeakPolarHBondContact O-CE 3.41Å; L525-I539 HydrophobicContact CD1-CB 4.29Å; L525-I539 HydrophobicContact CD1-CG2 3.76Å; L525-I539 HydrophobicContact CD2-CD1 4.38Å; L525-L540 HydrophobicContact CD1-CD2 4.46Å; L525-I570 HydrophobicContact CD2-CD1 4.5Å; L525-I570 HydrophobicContact CD2-CG1 4.13Å; L525-I574 HydrophobicContact CD2-CG1 4.5Å
526	E	91.5	Very high	90	Very high	81 Å²	81	61.4 Å²	61.4	38%	0.379	29%	0.288	S	S	.	.	H	α-helix	trans	-81.9	-29	175.8	-156.3	60.1	-125.7	0	0	112.5	R522 E523 K536	R522-E526 WeakPolarHBondContact O-CB 3.36Å; R522-E526 PolarHBondContact O-N 2.93Å; E523-E526 PolarHBondContact O-N 2.81Å; E526-K536 IonicContact OE1-NZ 2.67Å; E526-K536 PolarHBondContact OE1-NZ 3.31Å; E526-K536 IonicContact OE2-NZ 2.69Å; E526-K536 PolarHBondContact OE2-NZ 3.08Å
527	E	91.1	Very high	90.4	Very high	101 Å²	101	64.6 Å²	64.6	47%	0.472	30%	0.3	S	S	.	.	H	α-helix	trans	-67.3	-48.9	172.3	-171	-160.5	138.9	0	0	111.9	E523 V524 R576 Y711	E523-E527 WeakPolarHBondContact O-CB 3.34Å; E523-E527 PolarHBondContact O-N 3.48Å; V524-E527 PolarHBondContact O-N 2.91Å; E527-R576 IonicContact OE1-CZ 2.69Å; E527-R576 IonicContact OE1-NH1 3.11Å; E527-R576 PolarHBondContact OE1-NH1 3.01Å; E527-R576 IonicContact OE1-NH2 3.8Å; E527-R576 PolarHBondContact OE1-NH2 3.08Å; E527-R576 IonicContact OE2-CZ 3.53Å; E527-R576 IonicContact OE2-NH1 2.61Å; E527-R576 IonicContact OE2-NH2 3.49Å; E527-R576 PolarHBondContact OE2-NH2 3.48Å; E527-Y711 VanDerWaalsContact O-CE1 3.26Å; E527-Y711 WeakPolarHBondContact O-CE1 3.46Å; E527-Y711 PolarHBondContact O-OH 3.34Å; E527-Y711 VanDerWaalsContact O-OH 3.11Å
528	D	89.7	Confident	90.5	Very high	48 Å²	48	66.6 Å²	66.6	26%	0.257	30%	0.3	S	S	.	.	H	α-helix	trans	-84.7	-21.3	-173.7	-76.7	-28.4	0	0	0	114	V524 S573 R576	V524-D528 PolarHBondContact O-N 3.2Å; D528-S573 WeakPolarHBondContact CB-OG 3.24Å; D528-S573 VanDerWaalsContact CG-OG 3.23Å; D528-S573 VanDerWaalsContact OD2-CB 3.31Å; D528-S573 WeakPolarHBondContact OD2-CB 3.43Å; D528-S573 PolarHBondContact OD2-OG 3.36Å; D528-R576 VanDerWaalsContact CG-NH1 3.35Å; D528-R576 IonicContact OD1-NH1 2.67Å; D528-R576 PolarHBondContact OD1-NH1 3.3Å; D528-R576 IonicContact OD2-NH1 2.71Å; D528-R576 PolarHBondContact OD2-NH1 3.48Å
529	H	90.3	Very high	90.5	Very high	10 Å²	10	63.7 Å²	63.7	5%	0.046	29%	0.285	C	S	.	.			trans	-137.3	127.8	-173.2	-66.5	84.8	0	0	0	113.6	L525 K536 S569 I570 S573	L525-H529 PolarHBondContact O-N 3.08Å; H529-K536 WeakPolarHBondContact O-CE 3.48Å; H529-K536 PolarHBondContact O-NZ 3.3Å; H529-S569 VanDerWaalsContact CE1-C 3.49Å; H529-S569 PolarHBondContact NE2-OG 2.91Å; H529-I570 WeakPolarHBondContact CE1-CA 3.29Å; H529-I570 PolarHBondContact CE1-N 3.49Å; H529-I570 PolarHBondContact NE2-N 2.85Å; H529-S573 PolarHBondContact CE1-OG 2.76Å
530	Y	89.4	Confident	90.4	Very high	75 Å²	75	57.2 Å²	57.2	29%	0.294	26%	0.262	S	S	.	.	S	Bend	trans	-86	135.3	172.5	180	-93.8	0	0	0	111.6	E703 A706 I707	Y530-E703 HydrophobicContact CD1-CB 4.5Å; Y530-E703 HydrophobicContact CE1-CB 4.25Å; Y530-E703 HydrophobicContact CE1-CG 4.29Å; Y530-A706 HydrophobicContact CD1-CB 4.12Å; Y530-A706 HydrophobicContact CD2-CB 4.3Å; Y530-A706 HydrophobicContact CE1-CB 3.89Å; Y530-A706 HydrophobicContact CE2-CB 4.05Å; Y530-A706 HydrophobicContact CG-CB 4.32Å; Y530-I707 HydrophobicContact CD1-CG1 4.29Å
531	G	84.3	Confident	90.4	Very high	13 Å²	13	56.6 Å²	56.6	13%	0.134	26%	0.263	C	S	.	.	S	Bend	trans	64.6	-138.7	-179.1	0	0	0	0	0	112.2	D533 K536	G531-D533 VanDerWaalsContact C-N 3.27Å; G531-D533 PolarHBondContact O-N 3.49Å; G531-K536 WeakPolarHBondContact O-CD 3.38Å; G531-K536 WeakPolarHBondContact O-CE 3.37Å; G531-K536 PolarHBondContact O-NZ 2.83Å
532	M	85.2	Confident	90.2	Very high	26 Å²	26	57.3 Å²	57.3	13%	0.128	27%	0.266	C	S	.	.			trans	58.2	33.2	-178.5	-57.4	178.1	51.2	0	0	114.1	D534 V535 K536 I570 V696 Y699	M532-D534 VanDerWaalsContact C-N 3.28Å; M532-D534 PolarHBondContact O-N 3.1Å; M532-D534 VanDerWaalsContact O-N 3.14Å; M532-V535 HydrophobicContact CB-CB 4.31Å; M532-V535 HydrophobicContact CB-CG2 4.41Å; M532-V535 HydrophobicContact CE-CB 4.11Å; M532-V535 HydrophobicContact CE-CG1 4.01Å; M532-V535 HydrophobicContact CE-CG2 4.16Å; M532-V535 WeakPolarHBondContact O-CB 3.45Å; M532-V535 PolarHBondContact O-N 2.84Å; M532-K536 PolarHBondContact O-N 3.24Å; M532-I570 HydrophobicContact CE-CD1 3.63Å; M532-V696 HydrophobicContact CE-CG1 3.72Å; M532-V696 HydrophobicContact SD-CG1 4.49Å; M532-Y699 HydrophobicContact CG-CE1 4.19Å; M532-Y699 HydrophobicContact SD-CE1 4.5Å; M532-Y699 PolarHBondContact SD-OH 2.99Å
533	D	86.1	Confident	89.9	Confident	90 Å²	90	49.3 Å²	49.3	48%	0.481	24%	0.236	S	C	.	.	H	α-helix	trans	-56.1	-38	-168	-57.4	-52.2	0	0	0	113.8	G531 K536 K537	G531-D533 VanDerWaalsContact C-N 3.27Å; G531-D533 PolarHBondContact O-N 3.49Å; D533-K536 PolarHBondContact O-N 3.28Å; D533-K537 WeakPolarHBondContact O-CB 3.38Å; D533-K537 WeakPolarHBondContact O-CG 3.35Å; D533-K537 PolarHBondContact O-N 3.27Å
534	D	85.3	Confident	89.7	Confident	113 Å²	113	45.6 Å²	45.6	60%	0.604	22%	0.223	S	C	*	.	H	α-helix	trans	-70.9	-35	-179.8	-51	-48.6	0	0	0	112.3	M532 K537 R538	M532-D534 VanDerWaalsContact C-N 3.28Å; M532-D534 PolarHBondContact O-N 3.1Å; M532-D534 VanDerWaalsContact O-N 3.14Å; D534-K537 IonicContact OD1-NZ 3.6Å; D534-K537 PolarHBondContact OD1-NZ 2.79Å; D534-R538 WeakPolarHBondContact O-CB 3.25Å; D534-R538 PolarHBondContact O-N 3.1Å
535	V	90.8	Very high	89.4	Confident	10 Å²	10	48.9 Å²	48.9	6%	0.061	24%	0.244	C	C	.	.	H	α-helix	trans	-68.4	-42.6	173.6	-171.8	0	0	0	0	109.8	M532 R538 I539 F559 I570 I694 V696	M532-V535 HydrophobicContact CB-CB 4.31Å; M532-V535 HydrophobicContact CB-CG2 4.41Å; M532-V535 HydrophobicContact CE-CB 4.11Å; M532-V535 HydrophobicContact CE-CG1 4.01Å; M532-V535 HydrophobicContact CE-CG2 4.16Å; M532-V535 WeakPolarHBondContact O-CB 3.45Å; M532-V535 PolarHBondContact O-N 2.84Å; V535-R538 PolarHBondContact O-N 3.44Å; V535-I539 HydrophobicContact CG1-CD1 4.04Å; V535-I539 WeakPolarHBondContact O-CD1 3.14Å; V535-I539 VanDerWaalsContact O-CG1 3.29Å; V535-I539 WeakPolarHBondContact O-CG1 3.26Å; V535-I539 PolarHBondContact O-N 3.38Å; V535-F559 HydrophobicContact CG1-CD1 4.33Å; V535-F559 HydrophobicContact CG1-CE1 3.83Å; V535-I570 HydrophobicContact CG1-CD1 3.78Å; V535-I694 HydrophobicContact CG1-CG2 4.04Å; V535-I694 HydrophobicContact CG2-CG2 4.32Å; V535-V696 HydrophobicContact CG1-CG2 4.45Å; V535-V696 HydrophobicContact CG2-CG2 4.25Å
536	K	91.9	Very high	89	Confident	11 Å²	11	49 Å²	49	5%	0.048	25%	0.245	C	C	.	.	H	α-helix	trans	-61.9	-47.5	174.8	-71.6	174	172.2	166.1	0	112	L525 E526 H529 G531 M532 D533 R538 I539 L540	L525-K536 HydrophobicContact CB-CG 4.39Å; L525-K536 WeakPolarHBondContact O-CE 3.41Å; E526-K536 IonicContact OE1-NZ 2.67Å; E526-K536 PolarHBondContact OE1-NZ 3.31Å; E526-K536 IonicContact OE2-NZ 2.69Å; E526-K536 PolarHBondContact OE2-NZ 3.08Å; H529-K536 WeakPolarHBondContact O-CE 3.48Å; H529-K536 PolarHBondContact O-NZ 3.3Å; G531-K536 WeakPolarHBondContact O-CD 3.38Å; G531-K536 WeakPolarHBondContact O-CE 3.37Å; G531-K536 PolarHBondContact O-NZ 2.83Å; M532-K536 PolarHBondContact O-N 3.24Å; D533-K536 PolarHBondContact O-N 3.28Å; K536-R538 VanDerWaalsContact C-N 3.33Å; K536-R538 PolarHBondContact O-N 3.13Å; K536-I539 PolarHBondContact O-N 3.11Å; K536-L540 WeakPolarHBondContact O-CG 3.39Å; K536-L540 PolarHBondContact O-N 2.89Å
537	K	91.6	Very high	88.7	Confident	106 Å²	106	50 Å²	50	46%	0.461	25%	0.249	S	C	.	.	H	α-helix	trans	-53.7	-50.4	174	-72	164.1	-147.8	163.7	0	110.4	D533 D534 I539 L540 E541	D533-K537 WeakPolarHBondContact O-CB 3.38Å; D533-K537 WeakPolarHBondContact O-CG 3.35Å; D533-K537 PolarHBondContact O-N 3.27Å; D534-K537 IonicContact OD1-NZ 3.6Å; D534-K537 PolarHBondContact OD1-NZ 2.79Å; K537-I539 VanDerWaalsContact C-N 3.34Å; K537-I539 PolarHBondContact O-N 3.04Å; K537-L540 PolarHBondContact O-N 3.42Å; K537-L540 VanDerWaalsContact O-N 3.09Å; K537-E541 WeakPolarHBondContact O-CG 3.46Å; K537-E541 PolarHBondContact O-N 3.27Å
538	R	90.8	Very high	88.5	Confident	92 Å²	92	52.7 Å²	52.7	35%	0.347	27%	0.266	S	S	.	.	H	α-helix	trans	-63.9	-36.4	-178.1	-163.8	69	-163.7	169.1	-5.3	113.6	D534 V535 K536 E541 F542 E692 I694	D534-R538 WeakPolarHBondContact O-CB 3.25Å; D534-R538 PolarHBondContact O-N 3.1Å; V535-R538 PolarHBondContact O-N 3.44Å; K536-R538 VanDerWaalsContact C-N 3.33Å; K536-R538 PolarHBondContact O-N 3.13Å; R538-E541 WeakPolarHBondContact CD-OE2 3.4Å; R538-E541 IonicContact CZ-OE2 3.69Å; R538-E541 IonicContact NE-OE2 3.59Å; R538-E541 IonicContact NH1-OE2 2.81Å; R538-E541 PolarHBondContact NH1-OE2 2.91Å; R538-E541 PolarHBondContact O-N 3.49Å; R538-F542 PolarHBondContact O-N 3.45Å; R538-E692 IonicContact CZ-OE1 2.82Å; R538-E692 IonicContact NE-OE1 2.79Å; R538-E692 PolarHBondContact NE-OE1 3.43Å; R538-E692 IonicContact NH2-OE1 2.8Å; R538-E692 PolarHBondContact NH2-OE1 3.26Å; R538-E692 IonicContact NH2-OE2 2.7Å; R538-E692 PolarHBondContact NH2-OE2 3.28Å; R538-I694 HydrophobicContact CB-CD1 4.37Å; R538-I694 HydrophobicContact CG-CD1 3.76Å; R538-I694 HydrophobicContact CG-CG1 4.17Å
539	I	90.9	Very high	88.1	Confident	1 Å²	1	57 Å²	57	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-66	-42.3	172.7	-68.2	160.2	0	0	0	111	L525 V535 K536 K537 F542 I543 F559 I570 I574	L525-I539 HydrophobicContact CD1-CB 4.29Å; L525-I539 HydrophobicContact CD1-CG2 3.76Å; L525-I539 HydrophobicContact CD2-CD1 4.38Å; V535-I539 HydrophobicContact CG1-CD1 4.04Å; V535-I539 WeakPolarHBondContact O-CD1 3.14Å; V535-I539 VanDerWaalsContact O-CG1 3.29Å; V535-I539 WeakPolarHBondContact O-CG1 3.26Å; V535-I539 PolarHBondContact O-N 3.38Å; K536-I539 PolarHBondContact O-N 3.11Å; K537-I539 VanDerWaalsContact C-N 3.34Å; K537-I539 PolarHBondContact O-N 3.04Å; I539-F542 WeakPolarHBondContact O-CB 3.3Å; I539-F542 PolarHBondContact O-N 3.2Å; I539-I543 HydrophobicContact CG2-CD1 3.99Å; I539-I543 WeakPolarHBondContact O-CG1 3.49Å; I539-I543 PolarHBondContact O-N 3.4Å; I539-F559 HydrophobicContact CD1-CE1 4.46Å; I539-F559 HydrophobicContact CD1-CZ 4.12Å; I539-F559 HydrophobicContact CG1-CZ 4.3Å; I539-I570 HydrophobicContact CD1-CD1 3.48Å; I539-I570 VanDerWaalsContact CD1-CD1 3.48Å; I539-I570 HydrophobicContact CD1-CG1 3.75Å; I539-I574 HydrophobicContact CD1-CD1 3.79Å; I539-I574 HydrophobicContact CD1-CG1 4.17Å; I539-I574 HydrophobicContact CG1-CD1 3.99Å; I539-I574 HydrophobicContact CG1-CG1 4.49Å; I539-I574 HydrophobicContact CG2-CD1 4.22Å; I539-I574 HydrophobicContact CG2-CG1 3.92Å
540	L	91.8	Very high	87.2	Confident	36 Å²	36	59.6 Å²	59.6	19%	0.188	31%	0.309	C	S	.	.	H	α-helix	trans	-66.1	-37.2	177.1	-68.3	169.8	0	0	0	112.1	L518 A521 R522 L525 K536 K537 I543 A544	L518-L540 HydrophobicContact CD2-CD2 4.34Å; L518-L540 WeakPolarHBondContact CD2-O 3.5Å; A521-L540 HydrophobicContact CB-CD2 3.91Å; R522-L540 HydrophobicContact CB-CD1 4.12Å; R522-L540 HydrophobicContact CB-CD2 4.14Å; R522-L540 HydrophobicContact CG-CD1 4.21Å; L525-L540 HydrophobicContact CD1-CD2 4.46Å; K536-L540 WeakPolarHBondContact O-CG 3.39Å; K536-L540 PolarHBondContact O-N 2.89Å; K537-L540 PolarHBondContact O-N 3.42Å; K537-L540 VanDerWaalsContact O-N 3.09Å; L540-I543 PolarHBondContact O-N 3.01Å; L540-A544 WeakPolarHBondContact O-CB 3.34Å; L540-A544 PolarHBondContact O-N 2.95Å
541	E	90.7	Very high	86.2	Confident	89 Å²	89	57.7 Å²	57.7	42%	0.416	31%	0.306	S	S	.	.	H	α-helix	trans	-60.2	-45.5	170.7	-72	166	-156.4	0	0	111.7	K537 R538 I543 A544 V545	K537-E541 WeakPolarHBondContact O-CG 3.46Å; K537-E541 PolarHBondContact O-N 3.27Å; R538-E541 WeakPolarHBondContact CD-OE2 3.4Å; R538-E541 IonicContact CZ-OE2 3.69Å; R538-E541 IonicContact NE-OE2 3.59Å; R538-E541 IonicContact NH1-OE2 2.81Å; R538-E541 PolarHBondContact NH1-OE2 2.91Å; R538-E541 PolarHBondContact O-N 3.49Å; E541-I543 PolarHBondContact O-N 3.05Å; E541-A544 PolarHBondContact O-N 2.97Å; E541-V545 WeakPolarHBondContact O-CG2 3.25Å; E541-V545 PolarHBondContact O-N 3.38Å
542	F	88.2	Confident	85.3	Confident	15 Å²	15	57.5 Å²	57.5	7%	0.066	30%	0.303	C	S	.	.	H	α-helix	trans	-60.8	-42.3	175.3	170.6	-92.5	0	0	0	112.5	R538 I539 S546 K555 L557 L672	R538-F542 PolarHBondContact O-N 3.45Å; I539-F542 WeakPolarHBondContact O-CB 3.3Å; I539-F542 PolarHBondContact O-N 3.2Å; F542-S546 WeakPolarHBondContact O-CB 3.45Å; F542-S546 PolarHBondContact O-N 2.94Å; F542-S546 PolarHBondContact O-OG 2.96Å; F542-K555 HydrophobicContact CE2-CB 4.2Å; F542-L557 HydrophobicContact CD1-CD1 4.24Å; F542-L557 HydrophobicContact CD2-CD1 4.41Å; F542-L557 HydrophobicContact CD2-CD2 3.99Å; F542-L557 HydrophobicContact CD2-CG 4.47Å; F542-L557 HydrophobicContact CE2-CD2 4.45Å; F542-L557 HydrophobicContact CG-CD1 4.19Å; F542-L557 HydrophobicContact CG-CD2 4.39Å; F542-L672 HydrophobicContact CE1-CD1 4.13Å; F542-L672 HydrophobicContact CE1-CD2 4.1Å; F542-L672 HydrophobicContact CZ-CD1 3.61Å; F542-L672 HydrophobicContact CZ-CD2 4.39Å
543	I	88.2	Confident	84.3	Confident	1 Å²	1	59.7 Å²	59.7	1%	0.005	31%	0.313	C	S	.	.	H	α-helix	trans	-67.1	-39.9	176.9	-64.2	171.2	0	0	0	110.5	L518 A521 I539 L540 E541 S546 Q547 L578	L518-I543 HydrophobicContact CD2-CB 3.92Å; L518-I543 HydrophobicContact CD2-CG2 3.72Å; A521-I543 HydrophobicContact CB-CD1 3.7Å; I539-I543 HydrophobicContact CG2-CD1 3.99Å; I539-I543 WeakPolarHBondContact O-CG1 3.49Å; I539-I543 PolarHBondContact O-N 3.4Å; L540-I543 PolarHBondContact O-N 3.01Å; E541-I543 PolarHBondContact O-N 3.05Å; I543-S546 WeakPolarHBondContact O-CB 3.37Å; I543-S546 PolarHBondContact O-N 3.4Å; I543-Q547 WeakPolarHBondContact O-CB 3.26Å; I543-Q547 PolarHBondContact O-N 2.84Å; I543-L578 HydrophobicContact CD1-CD2 4.3Å; I543-L578 HydrophobicContact CG1-CD2 4.2Å; I543-L578 HydrophobicContact CG2-CD2 4.47Å
544	A	89.6	Confident	83.1	Confident	29 Å²	29	57.7 Å²	57.7	24%	0.24	31%	0.313	C	S	.	.	H	α-helix	trans	-63.8	-43.4	177.3	0	0	0	0	0	112.1	L518 L540 E541 S546 Q547 L548	L518-A544 HydrophobicContact CD1-CB 4.02Å; L518-A544 HydrophobicContact CD2-CB 4.07Å; L540-A544 WeakPolarHBondContact O-CB 3.34Å; L540-A544 PolarHBondContact O-N 2.95Å; E541-A544 PolarHBondContact O-N 2.97Å; A544-S546 VanDerWaalsContact C-N 3.33Å; A544-S546 PolarHBondContact O-N 3.13Å; A544-Q547 PolarHBondContact O-N 2.87Å; A544-L548 WeakPolarHBondContact O-CG 3.13Å; A544-L548 PolarHBondContact O-N 3.15Å
545	V	87.5	Confident	82.5	Confident	78 Å²	78	57.3 Å²	57.3	47%	0.473	31%	0.306	S	S	.	.	H	α-helix	trans	-63.5	-39.2	174	171.6	0	0	0	0	111.3	E541 L548 R549	E541-V545 WeakPolarHBondContact O-CG2 3.25Å; E541-V545 PolarHBondContact O-N 3.38Å; V545-L548 PolarHBondContact O-N 3.5Å; V545-R549 WeakPolarHBondContact O-CG 3.36Å; V545-R549 PolarHBondContact O-N 2.7Å; V545-R549 VanDerWaalsContact O-N 3.11Å
546	S	83.5	Confident	82.4	Confident	5 Å²	5	57.2 Å²	57.2	4%	0.035	31%	0.305	C	S	.	.	H	α-helix	trans	-64.8	-40.7	175.4	-59	0	0	0	0	112	F542 I543 A544 R549 G550	F542-S546 WeakPolarHBondContact O-CB 3.45Å; F542-S546 PolarHBondContact O-N 2.94Å; F542-S546 PolarHBondContact O-OG 2.96Å; I543-S546 WeakPolarHBondContact O-CB 3.37Å; I543-S546 PolarHBondContact O-N 3.4Å; A544-S546 VanDerWaalsContact C-N 3.33Å; A544-S546 PolarHBondContact O-N 3.13Å; S546-R549 PolarHBondContact O-N 2.7Å; S546-G550 PolarHBondContact O-N 3.11Å; S546-G550 VanDerWaalsContact O-N 3.08Å
547	Q	86.1	Confident	82.4	Confident	101 Å²	101	56.8 Å²	56.8	47%	0.472	30%	0.303	S	S	.	.	H	α-helix	trans	-62.9	-42.1	176	-168.6	-176.5	7.6	0	0	111.9	L516 I543 A544 R549 G550	L516-Q547 HydrophobicContact CB-CB 4.27Å; L516-Q547 HydrophobicContact CB-CG 4.15Å; I543-Q547 WeakPolarHBondContact O-CB 3.26Å; I543-Q547 PolarHBondContact O-N 2.84Å; A544-Q547 PolarHBondContact O-N 2.87Å; Q547-R549 VanDerWaalsContact C-N 3.32Å; Q547-R549 PolarHBondContact O-N 3.1Å; Q547-G550 PolarHBondContact O-N 2.91Å
548	L	86.9	Confident	82.5	Confident	158 Å²	158	51.7 Å²	51.7	83%	0.827	28%	0.281	S	S	*	.	H	α-helix	trans	-67.9	-29.4	176.6	-71.5	172.1	0	0	0	113.3	A544 V545	A544-L548 WeakPolarHBondContact O-CG 3.13Å; A544-L548 PolarHBondContact O-N 3.15Å; V545-L548 PolarHBondContact O-N 3.5Å
549	R	80.7	Confident	82.7	Confident	137 Å²	137	47.3 Å²	47.3	52%	0.517	27%	0.265	S	S	.	.	H	α-helix	trans	-86.5	-15.5	179.3	-73.3	179.3	63.4	-165.8	-8.1	114.2	V545 S546 Q547 S551 Q553	V545-R549 WeakPolarHBondContact O-CG 3.36Å; V545-R549 PolarHBondContact O-N 2.7Å; V545-R549 VanDerWaalsContact O-N 3.11Å; S546-R549 PolarHBondContact O-N 2.7Å; Q547-R549 VanDerWaalsContact C-N 3.32Å; Q547-R549 PolarHBondContact O-N 3.1Å; R549-S551 PolarHBondContact O-N 2.67Å; R549-Q553 PolarHBondContact NH1-O 2.9Å; R549-Q553 PolarHBondContact NH2-O 2.86Å
550	G	70.9	Confident	82.8	Confident	66 Å²	66	50.2 Å²	50.2	68%	0.68	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	70	-0.3	-172.1	0	0	0	0	0	114.7	S546 Q547	S546-G550 PolarHBondContact O-N 3.11Å; S546-G550 VanDerWaalsContact O-N 3.08Å; Q547-G550 PolarHBondContact O-N 2.91Å
551	S	70.3	Confident	82.6	Confident	35 Å²	35	48.8 Å²	48.8	25%	0.245	27%	0.27	C	S	.	.	S	Bend	trans	-148.3	149.4	173.5	81.7	0	0	0	0	110.8	R549 Q553	R549-S551 PolarHBondContact O-N 2.67Å; S551-Q553 PolarHBondContact O-N 3.04Å; S551-Q553 WeakPolarHBondContact OG-CG 3.07Å; S551-Q553 PolarHBondContact OG-OE1 2.93Å
552	T	63.7	Low	82.3	Confident	9 Å²	9	46.3 Å²	46.3	6%	0.055	26%	0.261	C	S	.	.			trans	-83.8	19.6	-178.9	70.2	0	0	0	0	113.5	R580	T552-R580 VanDerWaalsContact CG2-NH2 3.34Å; T552-R580 PolarHBondContact OG1-NH2 2.83Å
553	Q	65.3	Low	82.3	Confident	72 Å²	72	49 Å²	49	34%	0.336	28%	0.28	S	S	.	.			trans	-81.3	148	-161	-63.2	-179.9	-64.2	0	0	113.5	R549 S551 S669	R549-Q553 PolarHBondContact NH1-O 2.9Å; R549-Q553 PolarHBondContact NH2-O 2.86Å; S551-Q553 PolarHBondContact O-N 3.04Å; S551-Q553 WeakPolarHBondContact OG-CG 3.07Å; S551-Q553 PolarHBondContact OG-OE1 2.93Å; Q553-S669 WeakPolarHBondContact CG-O 3.47Å; Q553-S669 PolarHBondContact NE2-O 2.93Å; Q553-S669 PolarHBondContact NE2-OG 2.82Å
554	G	60.9	Low	82.2	Confident	48 Å²	48	50.2 Å²	50.2	50%	0.495	29%	0.293	S	S	.	.	S	Bend	trans	83.6	21.5	160.6	0	0	0	0	0	117.4
555	K	72.3	Confident	82.2	Confident	104 Å²	104	48.9 Å²	48.9	45%	0.452	28%	0.282	S	S	.	.			trans	-139.1	128.1	159.4	-81.9	-163.8	168.8	-168.5	0	111.1	F542 E692	F542-K555 HydrophobicContact CE2-CB 4.2Å; K555-E692 IonicContact NZ-OE2 2.68Å; K555-E692 PolarHBondContact NZ-OE2 3.3Å
556	I	88.6	Confident	82.2	Confident	9 Å²	9	46.1 Å²	46.1	5%	0.046	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	130.6	173.6	-52.3	151.1	0	0	0	107.4	L649 F673 R690 M691 E692	I556-L649 HydrophobicContact CD1-CB 3.75Å; I556-L649 HydrophobicContact CD1-CD2 4.22Å; I556-L649 HydrophobicContact CD1-CG 4.41Å; I556-L649 HydrophobicContact CG1-CD2 4.27Å; I556-L649 HydrophobicContact CG2-CD2 4.29Å; I556-F673 HydrophobicContact CG2-CB 4.14Å; I556-R690 HydrophobicContact CD1-CB 4.34Å; I556-M691 HydrophobicContact CB-CG 4.15Å; I556-M691 HydrophobicContact CD1-CG 4.46Å; I556-M691 HydrophobicContact CG2-CG 3.9Å; I556-E692 PolarHBondContact O-N 3.12Å
557	L	91.9	Very high	82.6	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.005	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	131.7	175.5	-56.3	-178.9	0	0	0	109.8	F542 F673 I674 C675 E692 I694	F542-L557 HydrophobicContact CD1-CD1 4.24Å; F542-L557 HydrophobicContact CD2-CD1 4.41Å; F542-L557 HydrophobicContact CD2-CD2 3.99Å; F542-L557 HydrophobicContact CD2-CG 4.47Å; F542-L557 HydrophobicContact CE2-CD2 4.45Å; F542-L557 HydrophobicContact CG-CD1 4.19Å; F542-L557 HydrophobicContact CG-CD2 4.39Å; L557-F673 PolarHBondContact N-O 3.06Å; L557-I674 HydrophobicContact CB-CG1 4.38Å; L557-I674 HydrophobicContact CD1-CD1 4.43Å; L557-I674 CarbonylContact O-C 3.59Å; L557-I674 WeakPolarHBondContact O-CA 3.47Å; L557-C675 PolarHBondContact O-N 2.89Å; L557-E692 HydrophobicContact CD2-CB 4.25Å; L557-I694 HydrophobicContact CD2-CD1 4.26Å
558	C	94.1	Very high	82.9	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	109.5	176.6	-173.2	0	0	0	0	111.4	C675 M691 E692 M693 I694	C558-C675 WeakPolarHBondContact CA-O 3.44Å; C558-C675 HydrophobicContact CB-CB 4.11Å; C558-M691 HydrophobicContact CB-CB 3.88Å; C558-M691 HydrophobicContact CB-CG 4.21Å; C558-M691 HydrophobicContact CB-SD 3.83Å; C558-E692 PolarHBondContact N-O 2.61Å; C558-M693 HydrophobicContact CB-CE 4.34Å; C558-M693 HydrophobicContact CB-SD 3.6Å; C558-I694 PolarHBondContact O-N 2.97Å
559	F	95	Very high	83.2	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	113.4	176.9	-63.3	-60.5	0	0	0	110.6	V535 I539 K567 I570 I574 I674 C675 T676 A677 I694 V696	V535-F559 HydrophobicContact CG1-CD1 4.33Å; V535-F559 HydrophobicContact CG1-CE1 3.83Å; I539-F559 HydrophobicContact CD1-CE1 4.46Å; I539-F559 HydrophobicContact CD1-CZ 4.12Å; I539-F559 HydrophobicContact CG1-CZ 4.3Å; F559-K567 HydrophobicContact CB-CB 4.21Å; F559-K567 HydrophobicContact CB-CD 4.45Å; F559-K567 HydrophobicContact CB-CG 4.1Å; F559-I570 HydrophobicContact CD2-CG2 4.22Å; F559-I570 HydrophobicContact CE2-CG2 4.01Å; F559-I570 HydrophobicContact CZ-CG2 4.25Å; F559-I574 HydrophobicContact CE2-CD1 4.07Å; F559-I574 HydrophobicContact CZ-CD1 3.9Å; F559-I674 HydrophobicContact CD2-CG2 3.57Å; F559-I674 HydrophobicContact CE2-CD1 4.26Å; F559-I674 HydrophobicContact CE2-CG2 3.55Å; F559-C675 PolarHBondContact N-O 2.83Å; F559-T676 WeakPolarHBondContact O-CA 3.31Å; F559-A677 PolarHBondContact O-N 3.41Å; F559-I694 WeakPolarHBondContact CA-O 3.41Å; F559-I694 HydrophobicContact CD1-CB 3.86Å; F559-I694 HydrophobicContact CD1-CD1 4.46Å; F559-I694 HydrophobicContact CD1-CG2 3.94Å; F559-I694 HydrophobicContact CE1-CB 4.08Å; F559-I694 HydrophobicContact CE1-CD1 3.88Å; F559-I694 HydrophobicContact CE1-CG2 3.98Å; F559-V696 HydrophobicContact CB-CG2 4.21Å; F559-V696 HydrophobicContact CD1-CG2 4.05Å; F559-V696 HydrophobicContact CG-CG2 4.47Å
560	Y	92.3	Very high	83.8	Confident	62 Å²	62	31.9 Å²	31.9	24%	0.243	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	167.4	176.1	77.6	-86.4	0	0	0	112.3	A677 T680 M693 I694 N695 V696	Y560-A677 WeakPolarHBondContact CA-O 3.41Å; Y560-T680 HydrophobicContact CD1-CG2 4.12Å; Y560-T680 HydrophobicContact CD2-CG2 3.5Å; Y560-T680 HydrophobicContact CE1-CG2 4.32Å; Y560-T680 HydrophobicContact CE2-CG2 3.75Å; Y560-T680 HydrophobicContact CG-CG2 3.69Å; Y560-M693 HydrophobicContact CD1-CB 4.25Å; Y560-M693 HydrophobicContact CD1-CE 3.95Å; Y560-M693 HydrophobicContact CE1-CB 4.01Å; Y560-M693 HydrophobicContact CG-CE 4.4Å; Y560-I694 WeakPolarHBondContact CD1-O 3.25Å; Y560-I694 PolarHBondContact N-O 2.76Å; Y560-N695 HydrophobicContact CE1-CB 3.87Å; Y560-N695 HydrophobicContact CE2-CB 4.07Å; Y560-V696 PolarHBondContact O-N 2.98Å
561	G	88.3	Confident	84.8	Confident	6 Å²	6	28.8 Å²	28.8	6%	0.062	18%	0.18	C	C	.	.	S	Bend	trans	128.2	176.9	-177.7	0	0	0	0	0	113.4	K567 N678	G561-K567 PolarHBondContact O-NZ 2.86Å; G561-N678 WeakPolarHBondContact O-CA 3.28Å
562	P	84.2	Confident	86	Confident	36 Å²	36	34.2 Å²	34.2	23%	0.234	20%	0.195	C	C	.	.	S	Bend	trans	-61.8	159.6	-170.6	19.4	-28.7	0	0	0	114.4	V565	P562-V565 HydrophobicContact CB-CG1 4.5Å; P562-V565 HydrophobicContact CG-CG1 3.88Å; P562-V565 VanDerWaalsContact O-CG2 3.25Å; P562-V565 WeakPolarHBondContact O-CG2 3.33Å
563	P	87.6	Confident	87.4	Confident	72 Å²	72	34 Å²	34	47%	0.468	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	143.4	179.4	27.8	-35	0	0	0	111.8
564	G	86.6	Confident	88.7	Confident	27 Å²	27	30.6 Å²	30.6	28%	0.278	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.9	16.8	176.1	0	0	0	0	0	115.8	G746 V747	G564-G746 WeakPolarHBondContact O-CA 3.49Å; G564-V747 PolarHBondContact O-N 3.46Å
565	V	88.9	Confident	90.2	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.006	16%	0.156	C	C	.	.	S	Bend	trans	-93.5	6.4	176.9	-57.8	0	0	0	0	115.2	P562 K567 V696 Y699	P562-V565 HydrophobicContact CB-CG1 4.5Å; P562-V565 HydrophobicContact CG-CG1 3.88Å; P562-V565 VanDerWaalsContact O-CG2 3.25Å; P562-V565 WeakPolarHBondContact O-CG2 3.33Å; V565-K567 HydrophobicContact CG2-CD 4.15Å; V565-K567 HydrophobicContact CG2-CG 3.83Å; V565-V696 HydrophobicContact CB-CG1 3.97Å; V565-V696 HydrophobicContact CG2-CB 3.91Å; V565-V696 HydrophobicContact CG2-CG1 3.5Å; V565-V696 VanDerWaalsContact CG2-CG1 3.5Å; V565-Y699 HydrophobicContact CB-CE2 4.22Å; V565-Y699 PolarHBondContact O-OH 2.82Å
566	G	89.1	Confident	91.2	Very high	20 Å²	20	28.5 Å²	28.5	21%	0.206	15%	0.153	C	C	.	.	S	Bend	trans	93.1	8.3	174.5	0	0	0	0	0	117	T568 S569 I570	G566-T568 PolarHBondContact O-N 2.79Å; G566-T568 VanDerWaalsContact O-N 3.12Å; G566-S569 WeakPolarHBondContact CA-OG 3.31Å; G566-S569 PolarHBondContact O-N 3.34Å; G566-S569 PolarHBondContact O-OG 2.81Å; G566-I570 PolarHBondContact O-N 2.95Å
567	K	92.1	Very high	91.4	Very high	11 Å²	11	28.1 Å²	28.1	5%	0.048	15%	0.151	C	C	.	.	H	α-helix	trans	-46.8	-42.9	176.7	-61.2	175.4	-67.7	-173.3	0	113.6	F559 G561 V565 I570 T676 A677 N678 V696	F559-K567 HydrophobicContact CB-CB 4.21Å; F559-K567 HydrophobicContact CB-CD 4.45Å; F559-K567 HydrophobicContact CB-CG 4.1Å; G561-K567 PolarHBondContact O-NZ 2.86Å; V565-K567 HydrophobicContact CG2-CD 4.15Å; V565-K567 HydrophobicContact CG2-CG 3.83Å; K567-I570 WeakPolarHBondContact O-CG2 3.37Å; K567-T676 HydrophobicContact CB-CG2 4.11Å; K567-A677 PolarHBondContact NZ-O 3.03Å; K567-N678 PolarHBondContact NZ-OD1 2.85Å; K567-V696 HydrophobicContact CG-CB 4.27Å; K567-V696 HydrophobicContact CG-CG2 4.23Å
568	T	92.2	Very high	91.2	Very high	43 Å²	43	28.1 Å²	28.1	26%	0.264	15%	0.151	S	C	.	.	H	α-helix	trans	-74.9	-27.2	178.1	-35.5	0	0	0	0	113.6	G566 L626	G566-T568 PolarHBondContact O-N 2.79Å; G566-T568 VanDerWaalsContact O-N 3.12Å; T568-L626 HydrophobicContact CG2-CD2 3.64Å
569	S	91.9	Very high	91.1	Very high	48 Å²	48	31.8 Å²	31.8	34%	0.336	17%	0.171	S	C	.	.	H	α-helix	trans	-81.9	-38.4	177.9	50.9	0	0	0	0	112	H529 G566 A571 R572 S573	H529-S569 VanDerWaalsContact CE1-C 3.49Å; H529-S569 PolarHBondContact NE2-OG 2.91Å; G566-S569 WeakPolarHBondContact CA-OG 3.31Å; G566-S569 PolarHBondContact O-N 3.34Å; G566-S569 PolarHBondContact O-OG 2.81Å; S569-A571 VanDerWaalsContact C-N 3.32Å; S569-A571 PolarHBondContact O-N 2.96Å; S569-R572 WeakPolarHBondContact O-CA 3.5Å; S569-R572 WeakPolarHBondContact O-CB 3.39Å; S569-R572 PolarHBondContact O-N 2.87Å; S569-S573 PolarHBondContact O-N 3.49Å; S569-S573 PolarHBondContact O-OG 2.82Å
570	I	93.4	Very high	90.9	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-64.8	-36.4	178.6	-164.7	160.4	0	0	0	112.3	L525 H529 M532 V535 I539 F559 G566 K567 R572 S573 I574	L525-I570 HydrophobicContact CD2-CD1 4.5Å; L525-I570 HydrophobicContact CD2-CG1 4.13Å; H529-I570 WeakPolarHBondContact CE1-CA 3.29Å; H529-I570 PolarHBondContact CE1-N 3.49Å; H529-I570 PolarHBondContact NE2-N 2.85Å; M532-I570 HydrophobicContact CE-CD1 3.63Å; V535-I570 HydrophobicContact CG1-CD1 3.78Å; I539-I570 HydrophobicContact CD1-CD1 3.48Å; I539-I570 VanDerWaalsContact CD1-CD1 3.48Å; I539-I570 HydrophobicContact CD1-CG1 3.75Å; F559-I570 HydrophobicContact CD2-CG2 4.22Å; F559-I570 HydrophobicContact CE2-CG2 4.01Å; F559-I570 HydrophobicContact CZ-CG2 4.25Å; G566-I570 PolarHBondContact O-N 2.95Å; K567-I570 WeakPolarHBondContact O-CG2 3.37Å; I570-R572 VanDerWaalsContact C-N 3.26Å; I570-R572 PolarHBondContact O-N 2.87Å; I570-S573 PolarHBondContact O-N 2.86Å; I570-S573 VanDerWaalsContact O-N 3.13Å; I570-I574 VanDerWaalsContact O-CG1 3.3Å; I570-I574 WeakPolarHBondContact O-CG1 3.44Å; I570-I574 PolarHBondContact O-N 3.31Å
571	A	93.1	Very high	91	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-59.9	-32.5	170.4	0	0	0	0	0	113.8	S569 A575 Y582 L626 I674	S569-A571 VanDerWaalsContact C-N 3.32Å; S569-A571 PolarHBondContact O-N 2.96Å; A571-A575 PolarHBondContact O-N 2.8Å; A571-Y582 HydrophobicContact CB-CE2 4.39Å; A571-L626 HydrophobicContact CB-CD1 3.59Å; A571-L626 HydrophobicContact CB-CD2 3.89Å; A571-L626 HydrophobicContact CB-CG 4.24Å; A571-I674 HydrophobicContact CB-CD1 4.33Å; A571-I674 HydrophobicContact CB-CG2 4.26Å
572	R	94.2	Very high	91.4	Very high	150 Å²	150	36.8 Å²	36.8	57%	0.566	19%	0.192	S	C	*	.	H	α-helix	trans	-72.1	-39.6	173.8	-173.1	-172.7	-61.8	168.4	1.6	111.5	S569 I570 A575 R576 Y582	S569-R572 WeakPolarHBondContact O-CA 3.5Å; S569-R572 WeakPolarHBondContact O-CB 3.39Å; S569-R572 PolarHBondContact O-N 2.87Å; I570-R572 VanDerWaalsContact C-N 3.26Å; I570-R572 PolarHBondContact O-N 2.87Å; R572-A575 WeakPolarHBondContact O-CB 3.34Å; R572-A575 PolarHBondContact O-N 3.17Å; R572-R576 PolarHBondContact O-N 3.48Å; R572-Y582 HydrophobicContact CB-CD2 4.27Å; R572-Y582 HydrophobicContact CB-CE2 4.03Å
573	S	93.8	Very high	91.9	Very high	4 Å²	4	36.3 Å²	36.3	3%	0.028	19%	0.187	C	C	.	.	H	α-helix	trans	-69.5	-32.4	177.9	-57	0	0	0	0	112.3	D528 H529 S569 I570 R576 A577	D528-S573 WeakPolarHBondContact CB-OG 3.24Å; D528-S573 VanDerWaalsContact CG-OG 3.23Å; D528-S573 VanDerWaalsContact OD2-CB 3.31Å; D528-S573 WeakPolarHBondContact OD2-CB 3.43Å; D528-S573 PolarHBondContact OD2-OG 3.36Å; H529-S573 PolarHBondContact CE1-OG 2.76Å; S569-S573 PolarHBondContact O-N 3.49Å; S569-S573 PolarHBondContact O-OG 2.82Å; I570-S573 PolarHBondContact O-N 2.86Å; I570-S573 VanDerWaalsContact O-N 3.13Å; S573-R576 PolarHBondContact O-N 3.04Å; S573-A577 VanDerWaalsContact O-CB 3.29Å; S573-A577 WeakPolarHBondContact O-CB 3.38Å; S573-A577 PolarHBondContact O-N 3.29Å
574	I	92.4	Very high	92.3	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-61.7	-44.4	168	-64.3	164.9	0	0	0	110.7	L525 I539 F559 I570 A577 L578 L624 L672 I674	L525-I574 HydrophobicContact CD2-CG1 4.5Å; I539-I574 HydrophobicContact CD1-CD1 3.79Å; I539-I574 HydrophobicContact CD1-CG1 4.17Å; I539-I574 HydrophobicContact CG1-CD1 3.99Å; I539-I574 HydrophobicContact CG1-CG1 4.49Å; I539-I574 HydrophobicContact CG2-CD1 4.22Å; I539-I574 HydrophobicContact CG2-CG1 3.92Å; F559-I574 HydrophobicContact CE2-CD1 4.07Å; F559-I574 HydrophobicContact CZ-CD1 3.9Å; I570-I574 VanDerWaalsContact O-CG1 3.3Å; I570-I574 WeakPolarHBondContact O-CG1 3.44Å; I570-I574 PolarHBondContact O-N 3.31Å; I574-A577 PolarHBondContact O-N 3.11Å; I574-L578 HydrophobicContact CG2-CD1 3.81Å; I574-L578 HydrophobicContact CG2-CG 4.39Å; I574-L578 WeakPolarHBondContact O-CB 3.39Å; I574-L578 WeakPolarHBondContact O-CG 3.49Å; I574-L578 PolarHBondContact O-N 3.42Å; I574-L624 HydrophobicContact CB-CD1 4.03Å; I574-L624 HydrophobicContact CG2-CD1 3.62Å; I574-L672 HydrophobicContact CG2-CD2 4.48Å; I574-I674 HydrophobicContact CD1-CD1 3.74Å; I574-I674 HydrophobicContact CG2-CD1 4.37Å
575	A	92.9	Very high	92.7	Very high	3 Å²	3	38.3 Å²	38.3	3%	0.025	18%	0.177	C	C	.	.	H	α-helix	trans	-62.4	-43.4	176	0	0	0	0	0	112.1	A571 R572 L578 N579 R580 Y582 L624	A571-A575 PolarHBondContact O-N 2.8Å; R572-A575 WeakPolarHBondContact O-CB 3.34Å; R572-A575 PolarHBondContact O-N 3.17Å; A575-L578 PolarHBondContact O-N 2.84Å; A575-N579 PolarHBondContact O-N 3.18Å; A575-R580 PolarHBondContact O-N 3.29Å; A575-Y582 HydrophobicContact CB-CD2 4.03Å; A575-Y582 HydrophobicContact CB-CG 4.42Å; A575-L624 HydrophobicContact CB-CB 4.11Å; A575-L624 HydrophobicContact CB-CD1 3.95Å
576	R	92.9	Very high	92.8	Very high	104 Å²	104	41 Å²	41	39%	0.392	20%	0.196	S	C	.	.	H	α-helix	trans	-60.8	-42.2	174.6	178.2	-175	169	-179.4	2.6	112.4	V524 E527 D528 R572 S573	V524-R576 HydrophobicContact CG1-CB 4.16Å; V524-R576 HydrophobicContact CG1-CG 3.83Å; E527-R576 IonicContact OE1-CZ 2.69Å; E527-R576 IonicContact OE1-NH1 3.11Å; E527-R576 PolarHBondContact OE1-NH1 3.01Å; E527-R576 IonicContact OE1-NH2 3.8Å; E527-R576 PolarHBondContact OE1-NH2 3.08Å; E527-R576 IonicContact OE2-CZ 3.53Å; E527-R576 IonicContact OE2-NH1 2.61Å; E527-R576 IonicContact OE2-NH2 3.49Å; E527-R576 PolarHBondContact OE2-NH2 3.48Å; D528-R576 VanDerWaalsContact CG-NH1 3.35Å; D528-R576 IonicContact OD1-NH1 2.67Å; D528-R576 PolarHBondContact OD1-NH1 3.3Å; D528-R576 IonicContact OD2-NH1 2.71Å; D528-R576 PolarHBondContact OD2-NH1 3.48Å; R572-R576 PolarHBondContact O-N 3.48Å; S573-R576 PolarHBondContact O-N 3.04Å
577	A	92.1	Very high	92.9	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.008	19%	0.186	C	C	.	.	H	α-helix	trans	-64.7	-51.1	177.6	0	0	0	0	0	111.5	A521 V524 S573 I574 N579	A521-A577 HydrophobicContact CB-CB 4.19Å; V524-A577 HydrophobicContact CB-CB 4.31Å; V524-A577 HydrophobicContact CG1-CB 4.2Å; S573-A577 VanDerWaalsContact O-CB 3.29Å; S573-A577 WeakPolarHBondContact O-CB 3.38Å; S573-A577 PolarHBondContact O-N 3.29Å; I574-A577 PolarHBondContact O-N 3.11Å; A577-N579 VanDerWaalsContact C-N 3.25Å; A577-N579 PolarHBondContact O-N 2.89Å
578	L	89.3	Confident	92.6	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.01	20%	0.196	C	C	.	.	H	α-helix	trans	-74.5	-8.1	-179.3	-67.3	176.4	0	0	0	114.4	E514 N515 L516 I543 I574 A575 R580 L672	E514-L578 WeakPolarHBondContact CA-O 3.32Å; N515-L578 PolarHBondContact N-O 3.26Å; L516-L578 HydrophobicContact CD2-CD2 3.96Å; I543-L578 HydrophobicContact CD1-CD2 4.3Å; I543-L578 HydrophobicContact CG1-CD2 4.2Å; I543-L578 HydrophobicContact CG2-CD2 4.47Å; I574-L578 HydrophobicContact CG2-CD1 3.81Å; I574-L578 HydrophobicContact CG2-CG 4.39Å; I574-L578 WeakPolarHBondContact O-CB 3.39Å; I574-L578 WeakPolarHBondContact O-CG 3.49Å; I574-L578 PolarHBondContact O-N 3.42Å; A575-L578 PolarHBondContact O-N 2.84Å; L578-R580 VanDerWaalsContact C-N 3.25Å; L578-R580 HydrophobicContact CB-CG 4.21Å; L578-R580 PolarHBondContact O-N 3.24Å; L578-L672 HydrophobicContact CD1-CD2 3.65Å
579	N	91.2	Very high	92.3	Very high	77 Å²	77	41.6 Å²	41.6	41%	0.412	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.3	25.6	-173.9	-165.5	57.5	0	0	0	114.5	E513 N515 A575 A577	E513-N579 WeakPolarHBondContact O-CB 3.15Å; E513-N579 PolarHBondContact O-ND2 3.36Å; N515-N579 HydrophobicContact CB-CB 4.25Å; A575-N579 PolarHBondContact O-N 3.18Å; A577-N579 VanDerWaalsContact C-N 3.25Å; A577-N579 PolarHBondContact O-N 2.89Å
580	R	91.6	Very high	92	Very high	12 Å²	12	39.9 Å²	39.9	5%	0.045	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-92.9	149.4	179.8	-74.5	178.7	169	-135	11.7	112.1	E514 T552 A575 L578 Y582 N622 L624 K670	E514-R580 VanDerWaalsContact CD-NE 3.3Å; E514-R580 IonicContact OE1-CZ 2.87Å; E514-R580 IonicContact OE1-NE 3.17Å; E514-R580 IonicContact OE1-NH2 3.57Å; E514-R580 PolarHBondContact OE1-NH2 3.13Å; E514-R580 IonicContact OE2-CZ 2.67Å; E514-R580 VanDerWaalsContact OE2-CZ 3.25Å; E514-R580 IonicContact OE2-NE 3.22Å; E514-R580 PolarHBondContact OE2-NE 2.94Å; E514-R580 IonicContact OE2-NH2 2.96Å; E514-R580 PolarHBondContact OE2-NH2 3.2Å; T552-R580 VanDerWaalsContact CG2-NH2 3.34Å; T552-R580 PolarHBondContact OG1-NH2 2.83Å; A575-R580 PolarHBondContact O-N 3.29Å; L578-R580 VanDerWaalsContact C-N 3.25Å; L578-R580 HydrophobicContact CB-CG 4.21Å; L578-R580 PolarHBondContact O-N 3.24Å; R580-Y582 PolarHBondContact O-N 3.48Å; R580-N622 WeakPolarHBondContact CD-O 3.42Å; R580-N622 PolarHBondContact NH1-O 3.29Å; R580-L624 HydrophobicContact CB-CB 4.5Å; R580-K670 PolarHBondContact NH1-O 2.97Å
581	Q	94.3	Very high	91.7	Very high	98 Å²	98	43.7 Å²	43.7	46%	0.458	22%	0.223	S	C	.	.	P	Polyproline II helix	trans	-66.8	130.6	174	-66.6	-59.9	-30.6	0	0	111.3	T618 T620 P623 L624	Q581-T618 HydrophobicContact CB-CG2 3.97Å; Q581-T620 HydrophobicContact CG-CG2 3.77Å; Q581-P623 HydrophobicContact CB-CB 4.36Å; Q581-P623 CarbonylContact O-C 3.54Å; Q581-P623 WeakPolarHBondContact O-CA 3.43Å; Q581-P623 WeakPolarHBondContact O-CB 3.36Å; Q581-L624 PolarHBondContact O-N 3.49Å
582	Y	95.3	Very high	91.6	Very high	63 Å²	63	45.7 Å²	45.7	25%	0.247	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	123.9	-176.7	175.3	-92.9	0	0	0	112	A571 R572 A575 R580 R584 L624 L626	A571-Y582 HydrophobicContact CB-CE2 4.39Å; R572-Y582 HydrophobicContact CB-CD2 4.27Å; R572-Y582 HydrophobicContact CB-CE2 4.03Å; A575-Y582 HydrophobicContact CB-CD2 4.03Å; A575-Y582 HydrophobicContact CB-CG 4.42Å; R580-Y582 PolarHBondContact O-N 3.48Å; Y582-R584 HydrophobicContact CE1-CB 4.09Å; Y582-L624 HydrophobicContact CD2-CD2 4.31Å; Y582-L626 HydrophobicContact CE2-CB 4.24Å; Y582-L626 HydrophobicContact CE2-CD2 4.4Å; Y582-L626 VanDerWaalsContact OH-CD2 3.29Å; Y582-L626 WeakPolarHBondContact OH-CD2 3.41Å
583	F	96.2	Very high	91.4	Very high	26 Å²	26	39.7 Å²	39.7	11%	0.114	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	147.8	169.5	-171.5	-93.6	0	0	0	110.7	F585 C614 K617 T618 L624 L626	F583-F585 HydrophobicContact CD1-CD1 4.18Å; F583-F585 HydrophobicContact CE1-CB 4.13Å; F583-F585 AromaticContact CE1-CD1 3.86Å; F583-F585 HydrophobicContact CE1-CD1 3.86Å; F583-F585 HydrophobicContact CE1-CG 4.43Å; F583-C614 HydrophobicContact CB-CB 4.48Å; F583-C614 WeakPolarHBondContact CB-SG 3.47Å; F583-C614 HydrophobicContact CD1-CB 3.65Å; F583-C614 HydrophobicContact CD2-CB 3.99Å; F583-C614 HydrophobicContact CE1-CB 3.71Å; F583-C614 HydrophobicContact CE2-CB 4.04Å; F583-C614 HydrophobicContact CG-CB 3.8Å; F583-C614 WeakPolarHBondContact CG-SG 3.35Å; F583-C614 HydrophobicContact CZ-CB 3.91Å; F583-K617 HydrophobicContact CD2-CD 4.2Å; F583-K617 HydrophobicContact CE2-CD 3.91Å; F583-T618 HydrophobicContact CB-CG2 4.08Å; F583-L624 PolarHBondContact N-O 3.47Å; F583-L626 PolarHBondContact O-N 2.9Å
584	R	94.8	Very high	91.2	Very high	123 Å²	123	40.5 Å²	40.5	46%	0.464	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	133	174.8	-176.7	-175.1	74.9	137.8	0.5	110.4	Y582 L626 D628	Y582-R584 HydrophobicContact CE1-CB 4.09Å; R584-L626 WeakPolarHBondContact CA-O 3.33Å; R584-L626 HydrophobicContact CB-CB 4.17Å; R584-L626 HydrophobicContact CG-CB 4.07Å; R584-L626 HydrophobicContact CG-CD2 3.98Å; R584-L626 HydrophobicContact CG-CG 4.2Å; R584-D628 WeakPolarHBondContact CD-OD2 3.3Å; R584-D628 HydrophobicContact CG-CB 4.37Å; R584-D628 IonicContact CZ-OD2 4Å; R584-D628 IonicContact NE-OD2 2.73Å; R584-D628 IonicContact NH1-OD2 2.94Å; R584-D628 PolarHBondContact NH1-OD2 2.94Å
585	F	94.4	Very high	91	Very high	18 Å²	18	43.7 Å²	43.7	8%	0.079	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	162.5	160.1	67.7	-79	0	0	0	109.7	F583 V587 K610 V625 L626 I627 D628	F583-F585 HydrophobicContact CD1-CD1 4.18Å; F583-F585 HydrophobicContact CE1-CB 4.13Å; F583-F585 AromaticContact CE1-CD1 3.86Å; F583-F585 HydrophobicContact CE1-CD1 3.86Å; F583-F585 HydrophobicContact CE1-CG 4.43Å; F585-V587 HydrophobicContact CD2-CG1 3.97Å; F585-V587 HydrophobicContact CE2-CG1 3.52Å; F585-K610 HydrophobicContact CD2-CB 4.36Å; F585-K610 HydrophobicContact CD2-CG 4.21Å; F585-K610 HydrophobicContact CG-CB 4.37Å; F585-K610 HydrophobicContact CG-CG 4.49Å; F585-V625 HydrophobicContact CD1-CG1 4.14Å; F585-V625 HydrophobicContact CE1-CG1 3.64Å; F585-L626 PolarHBondContact N-O 3.32Å; F585-L626 VanDerWaalsContact N-O 3.1Å; F585-L626 VanDerWaalsContact O-O 3.11Å; F585-I627 HydrophobicContact CE1-CG1 3.95Å; F585-I627 HydrophobicContact CZ-CD1 4.16Å; F585-I627 HydrophobicContact CZ-CG1 3.85Å; F585-D628 PolarHBondContact O-N 3.23Å
586	S	92.6	Very high	90.9	Very high	57 Å²	57	43.8 Å²	43.8	40%	0.399	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	137.9	177.1	-59.3	0	0	0	0	108.9	D628	S586-D628 CarbonylContact C-O 3.57Å; S586-D628 VanDerWaalsContact CA-O 3.26Å; S586-D628 WeakPolarHBondContact CA-O 3.36Å
587	V	90.2	Very high	90.9	Very high	2 Å²	2	40 Å²	40	1%	0.012	22%	0.222	C	C	.	.			trans	-103.6	-8.6	174.2	-63.5	0	0	0	0	113	F585 G589 M590 I627 D628 V630 I633 L645	F585-V587 HydrophobicContact CD2-CG1 3.97Å; F585-V587 HydrophobicContact CE2-CG1 3.52Å; V587-G589 PolarHBondContact O-N 3.3Å; V587-M590 HydrophobicContact CB-SD 4.12Å; V587-M590 HydrophobicContact CG1-SD 3.89Å; V587-M590 WeakPolarHBondContact O-CB 3.44Å; V587-M590 PolarHBondContact O-N 3.32Å; V587-I627 HydrophobicContact CB-CG2 4.38Å; V587-I627 HydrophobicContact CG1-CG2 3.71Å; V587-I627 HydrophobicContact CG2-CG2 3.72Å; V587-D628 PolarHBondContact N-O 3.11Å; V587-V630 HydrophobicContact CG2-CB 4.25Å; V587-V630 HydrophobicContact CG2-CG2 4.37Å; V587-I633 HydrophobicContact CB-CG1 4.34Å; V587-I633 HydrophobicContact CG2-CG1 3.98Å; V587-L645 HydrophobicContact CG1-CD1 4.3Å; V587-L645 HydrophobicContact CG1-CD2 4.33Å
588	G	86.3	Confident	90.9	Very high	25 Å²	25	40 Å²	40	26%	0.258	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	120.8	174.3	0	0	0	0	0	112.1	M590 E629 K632	G588-M590 VanDerWaalsContact C-N 3.34Å; G588-E629 PolarHBondContact N-O 2.76Å; G588-K632 WeakPolarHBondContact CA-O 3.46Å
589	G	84.6	Confident	91.1	Very high	60 Å²	60	43.3 Å²	43.3	62%	0.619	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.2	0.1	-175.8	0	0	0	0	0	115.4	V587 K632	V587-G589 PolarHBondContact O-N 3.3Å; G589-K632 PolarHBondContact N-O 2.69Å
590	M	87.1	Confident	91.1	Very high	12 Å²	12	47.1 Å²	47.1	6%	0.059	25%	0.246	C	C	.	.			trans	-70.2	131.9	170.9	-71.9	-176.5	51.9	0	0	110.5	V587 G588 E595 I596 G634	V587-M590 HydrophobicContact CB-SD 4.12Å; V587-M590 HydrophobicContact CG1-SD 3.89Å; V587-M590 WeakPolarHBondContact O-CB 3.44Å; V587-M590 PolarHBondContact O-N 3.32Å; G588-M590 VanDerWaalsContact C-N 3.34Å; M590-E595 HydrophobicContact CE-CB 3.38Å; M590-E595 HydrophobicContact CE-CG 4.27Å; M590-I596 HydrophobicContact CE-CD1 4.13Å; M590-I596 HydrophobicContact CE-CG1 3.63Å; M590-G634 WeakPolarHBondContact O-CA 3.36Å; M590-G634 PolarHBondContact O-N 3.04Å
591	T	87.5	Confident	90.9	Very high	79 Å²	79	49.4 Å²	49.4	49%	0.485	26%	0.255	S	S	.	.			trans	-121.4	-5.7	179.2	55.6	0	0	0	0	113.8	G636	T591-G636 WeakPolarHBondContact O-CA 3.4Å
592	D	89	Confident	90.6	Very high	43 Å²	43	50.6 Å²	50.6	23%	0.23	27%	0.269	C	S	.	.			trans	-121	134.9	-173.4	-176.7	9.2	0	0	0	111.3	A594	D592-A594 VanDerWaalsContact C-N 3.31Å; D592-A594 WeakPolarHBondContact OD1-CB 3.49Å; D592-A594 PolarHBondContact OD1-N 2.82Å; D592-A594 WeakPolarHBondContact OD2-CB 3.42Å
593	V	90.1	Very high	90.1	Very high	24 Å²	24	54.5 Å²	54.5	15%	0.145	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-67	-32.4	174	170.2	0	0	0	0	111.3	E595 I596 K597 A644	V593-E595 PolarHBondContact O-N 3.07Å; V593-I596 PolarHBondContact O-N 2.59Å; V593-K597 HydrophobicContact CG1-CB 4.42Å; V593-K597 HydrophobicContact CG1-CD 4.24Å; V593-K597 HydrophobicContact CG1-CG 4.15Å; V593-K597 PolarHBondContact O-N 2.89Å; V593-A644 HydrophobicContact CG1-CB 3.96Å
594	A	89.6	Confident	89.5	Confident	20 Å²	20	60.9 Å²	60.9	17%	0.165	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-71.4	-8.9	-175.3	0	0	0	0	0	114	D592 G598 H599	D592-A594 VanDerWaalsContact C-N 3.31Å; D592-A594 WeakPolarHBondContact OD1-CB 3.49Å; D592-A594 PolarHBondContact OD1-N 2.82Å; D592-A594 WeakPolarHBondContact OD2-CB 3.42Å; A594-G598 WeakPolarHBondContact CA-O 3.38Å; A594-G598 CarbonylContact O-C 3.52Å; A594-G598 VanDerWaalsContact O-C 3.26Å; A594-G598 WeakPolarHBondContact O-CA 3.33Å; A594-G598 PolarHBondContact O-N 2.79Å; A594-H599 PolarHBondContact O-ND1 2.95Å
595	E	89.2	Confident	89	Confident	69 Å²	69	58.4 Å²	58.4	32%	0.322	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-75	-35.6	164.6	-78.2	-153.6	-105.9	0	0	112.4	M590 V593 G609 K610	M590-E595 HydrophobicContact CE-CB 3.38Å; M590-E595 HydrophobicContact CE-CG 4.27Å; V593-E595 PolarHBondContact O-N 3.07Å; E595-G609 WeakPolarHBondContact O-CA 3.27Å; E595-K610 WeakPolarHBondContact O-CG 3.48Å; E595-K610 PolarHBondContact O-N 2.86Å; E595-K610 WeakPolarHBondContact OE2-CE 3.47Å; E595-K610 IonicContact OE2-NZ 3.63Å; E595-K610 PolarHBondContact OE2-NZ 3.29Å
596	I	91.8	Very high	88.8	Confident	4 Å²	4	58.2 Å²	58.2	2%	0.021	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-50.6	-179.7	-60.6	169.6	0	0	0	110.2	M590 V593 G609 P641 A644 L645 L648	M590-I596 HydrophobicContact CE-CD1 4.13Å; M590-I596 HydrophobicContact CE-CG1 3.63Å; V593-I596 PolarHBondContact O-N 2.59Å; I596-G609 WeakPolarHBondContact O-CA 3.39Å; I596-P641 HydrophobicContact CD1-CB 4.12Å; I596-A644 HydrophobicContact CB-CB 4.13Å; I596-A644 HydrophobicContact CD1-CB 3.98Å; I596-A644 HydrophobicContact CG2-CB 4.04Å; I596-L645 HydrophobicContact CD1-CD2 3.77Å; I596-L645 HydrophobicContact CD1-CG 3.76Å; I596-L648 HydrophobicContact CG2-CD2 4.45Å
597	K	91.8	Very high	88.7	Confident	26 Å²	26	60 Å²	60	11%	0.113	34%	0.342	C	S	.	.	S	Bend	trans	-91.9	-3.8	-177	-65.4	-157.6	-179.5	-157.6	0	114.9	V593 A644 E647 F657 D659 H660	V593-K597 HydrophobicContact CG1-CB 4.42Å; V593-K597 HydrophobicContact CG1-CD 4.24Å; V593-K597 HydrophobicContact CG1-CG 4.15Å; V593-K597 PolarHBondContact O-N 2.89Å; K597-A644 HydrophobicContact CG-CB 4.21Å; K597-E647 VanDerWaalsContact CE-OE1 3.32Å; K597-E647 WeakPolarHBondContact CE-OE1 3.42Å; K597-E647 IonicContact NZ-OE1 3.7Å; K597-E647 PolarHBondContact NZ-OE1 2.67Å; K597-E647 IonicContact NZ-OE2 2.66Å; K597-E647 PolarHBondContact NZ-OE2 3.06Å; K597-F657 HydrophobicContact CG-CZ 4.34Å; K597-D659 CarbonylContact O-C 3.5Å; K597-D659 WeakPolarHBondContact O-CA 3.16Å; K597-H660 PolarHBondContact O-N 2.8Å
598	G	92.8	Very high	88.9	Confident	1 Å²	1	60 Å²	60	1%	0.01	34%	0.342	C	S	.	.			trans	75.8	175.5	-174.3	0	0	0	0	0	113.8	A594 M607 G609	A594-G598 WeakPolarHBondContact CA-O 3.38Å; A594-G598 CarbonylContact O-C 3.52Å; A594-G598 VanDerWaalsContact O-C 3.26Å; A594-G598 WeakPolarHBondContact O-CA 3.33Å; A594-G598 PolarHBondContact O-N 2.79Å; G598-M607 CarbonylContact C-O 3.6Å; G598-M607 WeakPolarHBondContact CA-O 3.3Å; G598-G609 VanDerWaalsContact CA-N 3.28Å
599	H	92.8	Very high	89.3	Confident	70 Å²	70	58.9 Å²	58.9	32%	0.324	33%	0.33	S	S	.	.			trans	-101.6	144	177.7	-68.6	47.5	0	0	0	110.7	A594 R601 Y603 A606 M607 Y661	A594-H599 PolarHBondContact O-ND1 2.95Å; H599-R601 PolarHBondContact O-N 3.35Å; H599-Y603 HydrophobicContact CB-CD2 4.44Å; H599-A606 HydrophobicContact CB-CB 3.9Å; H599-M607 PolarHBondContact N-O 3.26Å; H599-Y661 VanDerWaalsContact O-CA 3.28Å; H599-Y661 WeakPolarHBondContact O-CA 3.09Å; H599-Y661 VanDerWaalsContact O-CB 3.26Å; H599-Y661 WeakPolarHBondContact O-CB 3.42Å; H599-Y661 WeakPolarHBondContact O-CD2 3.47Å; H599-Y661 PolarHBondContact O-N 2.91Å
600	R	91.1	Very high	89.7	Confident	157 Å²	157	58.7 Å²	58.7	59%	0.592	31%	0.312	S	S	*	.			trans	-56.9	137.9	172	-65.1	-175.7	-180	-168.6	-1	111.3	T602 Y603 A606 H660	R600-T602 PolarHBondContact O-N 2.85Å; R600-Y603 HydrophobicContact CB-CD2 3.97Å; R600-Y603 HydrophobicContact CB-CE2 3.94Å; R600-Y603 HydrophobicContact CG-CE2 4.48Å; R600-Y603 WeakPolarHBondContact O-CD2 3.46Å; R600-Y603 PolarHBondContact O-N 3.3Å; R600-A606 VanDerWaalsContact O-CB 3.24Å; R600-A606 WeakPolarHBondContact O-CB 3.06Å; R600-H660 WeakPolarHBondContact CA-O 3.18Å; R600-H660 HydrophobicContact CG-CB 4.19Å
601	R	88.7	Confident	90	Very high	61 Å²	61	58.2 Å²	58.2	23%	0.23	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-23.6	-176.4	-53.5	-175.9	-152.1	148.2	14	114.4	E479 Y499 H599 Y603 Y661 L662 D663	E479-R601 IonicContact OE1-NH1 3.37Å; E479-R601 PolarHBondContact OE1-NH1 3.21Å; Y499-R601 VanDerWaalsContact CE1-CZ 3.42Å; Y499-R601 PolarHBondContact OH-NH2 2.72Å; H599-R601 PolarHBondContact O-N 3.35Å; R601-Y603 VanDerWaalsContact C-N 3.28Å; R601-Y603 PolarHBondContact O-N 2.88Å; R601-Y661 WeakPolarHBondContact CD-O 3.26Å; R601-Y661 HydrophobicContact CG-CD2 4.31Å; R601-Y661 HydrophobicContact CG-CG 4.49Å; R601-Y661 WeakPolarHBondContact CG-O 3.25Å; R601-Y661 PolarHBondContact NE-O 2.83Å; R601-L662 PolarHBondContact NH2-O 2.89Å; R601-D663 VanDerWaalsContact NH2-CB 3.31Å
602	T	87.3	Confident	90.3	Very high	123 Å²	123	54.5 Å²	54.5	76%	0.755	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-16.9	178.7	50.8	0	0	0	0	114.5	R600	R600-T602 PolarHBondContact O-N 2.85Å
603	Y	85.4	Confident	90.5	Very high	144 Å²	144	55.2 Å²	55.2	57%	0.565	29%	0.289	S	S	*	.	S	Bend	trans	-80.2	136.5	177.3	-65.9	-67	0	0	0	111.9	H599 R600 R601 G605 A606	H599-Y603 HydrophobicContact CB-CD2 4.44Å; R600-Y603 HydrophobicContact CB-CD2 3.97Å; R600-Y603 HydrophobicContact CB-CE2 3.94Å; R600-Y603 HydrophobicContact CG-CE2 4.48Å; R600-Y603 WeakPolarHBondContact O-CD2 3.46Å; R600-Y603 PolarHBondContact O-N 3.3Å; R601-Y603 VanDerWaalsContact C-N 3.28Å; R601-Y603 PolarHBondContact O-N 2.88Å; Y603-G605 PolarHBondContact O-N 3.31Å; Y603-G605 VanDerWaalsContact O-N 3.13Å; Y603-A606 VanDerWaalsContact O-CB 3.25Å; Y603-A606 WeakPolarHBondContact O-CB 3.36Å; Y603-A606 PolarHBondContact O-N 2.9Å
604	V	82.6	Confident	90.7	Very high	161 Å²	161	54.1 Å²	54.1	98%	0.976	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	115.6	175.8	-178.9	0	0	0	0	109.2
605	G	84.4	Confident	90.9	Very high	70 Å²	70	53.4 Å²	53.4	72%	0.722	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.7	18	-174.7	0	0	0	0	0	114.7	Y603 M607	Y603-G605 PolarHBondContact O-N 3.31Å; Y603-G605 VanDerWaalsContact O-N 3.13Å; G605-M607 PolarHBondContact O-N 3.1Å
606	A	89.7	Confident	91.1	Very high	14 Å²	14	52.6 Å²	52.6	12%	0.116	27%	0.271	C	S	.	.			trans	-51.4	134.7	175.1	0	0	0	0	0	112.5	H599 R600 Y603 Y661	H599-A606 HydrophobicContact CB-CB 3.9Å; R600-A606 VanDerWaalsContact O-CB 3.24Å; R600-A606 WeakPolarHBondContact O-CB 3.06Å; Y603-A606 VanDerWaalsContact O-CB 3.25Å; Y603-A606 WeakPolarHBondContact O-CB 3.36Å; Y603-A606 PolarHBondContact O-N 2.9Å; A606-Y661 HydrophobicContact CB-CD2 3.88Å; A606-Y661 HydrophobicContact CB-CE2 3.94Å; A606-Y661 VanDerWaalsContact O-CE2 3.26Å; A606-Y661 WeakPolarHBondContact O-CE2 3.49Å
607	M	91.6	Very high	91.2	Very high	96 Å²	96	59.9 Å²	59.9	47%	0.473	30%	0.303	S	S	.	.			trans	-125.4	142.3	179.3	-73.6	-76	-74.4	0	0	109.9	G598 H599 G605	G598-M607 CarbonylContact C-O 3.6Å; G598-M607 WeakPolarHBondContact CA-O 3.3Å; H599-M607 PolarHBondContact N-O 3.26Å; G605-M607 PolarHBondContact O-N 3.1Å
608	P	94.4	Very high	91.3	Very high	2 Å²	2	59.4 Å²	59.4	1%	0.013	30%	0.302	C	S	.	.			trans	-71.9	159.6	172.1	32.3	-36.2	0	0	0	111.4	W502 I612 Q613 Y661	W502-P608 HydrophobicContact CD2-CG 3.7Å; W502-P608 HydrophobicContact CE3-CG 3.72Å; W502-P608 HydrophobicContact CG-CG 4.43Å; W502-P608 HydrophobicContact CH2-CG 3.71Å; W502-P608 HydrophobicContact CZ2-CG 3.68Å; W502-P608 HydrophobicContact CZ3-CG 3.7Å; P608-I612 HydrophobicContact CB-CB 3.91Å; P608-I612 HydrophobicContact CB-CG1 4.31Å; P608-I612 HydrophobicContact CB-CG2 3.84Å; P608-I612 HydrophobicContact CG-CG2 4.18Å; P608-Q613 PolarHBondContact O-NE2 2.98Å; P608-Y661 HydrophobicContact CB-CD1 3.78Å; P608-Y661 HydrophobicContact CB-CG 3.91Å; P608-Y661 HydrophobicContact CG-CD1 4.15Å; P608-Y661 HydrophobicContact CG-CG 4.47Å
609	G	93.6	Very high	91.3	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	33%	0.333	C	S	.	.			trans	-67.5	166.5	-173.3	0	0	0	0	0	114.6	E595 I596 G598 M611 I612 Q613 D659	E595-G609 WeakPolarHBondContact O-CA 3.27Å; I596-G609 WeakPolarHBondContact O-CA 3.39Å; G598-G609 VanDerWaalsContact CA-N 3.28Å; G609-M611 PolarHBondContact O-N 3.38Å; G609-I612 PolarHBondContact O-N 2.99Å; G609-I612 VanDerWaalsContact O-N 3.1Å; G609-Q613 WeakPolarHBondContact O-CG 3.35Å; G609-Q613 PolarHBondContact O-N 2.92Å; G609-Q613 VanDerWaalsContact O-N 3.1Å; G609-D659 WeakPolarHBondContact CA-OD2 3.4Å; G609-D659 PolarHBondContact N-OD2 3.07Å
610	K	92.9	Very high	91.2	Very high	56 Å²	56	64 Å²	64	24%	0.243	32%	0.322	C	S	.	.	H	α-helix	trans	-53.8	-30.7	-179.1	-60.3	-54.1	-179.5	-172.1	0	113.1	F585 E595 Q613 C614	F585-K610 HydrophobicContact CD2-CB 4.36Å; F585-K610 HydrophobicContact CD2-CG 4.21Å; F585-K610 HydrophobicContact CG-CB 4.37Å; F585-K610 HydrophobicContact CG-CG 4.49Å; E595-K610 WeakPolarHBondContact O-CG 3.48Å; E595-K610 PolarHBondContact O-N 2.86Å; E595-K610 WeakPolarHBondContact OE2-CE 3.47Å; E595-K610 IonicContact OE2-NZ 3.63Å; E595-K610 PolarHBondContact OE2-NZ 3.29Å; K610-Q613 PolarHBondContact O-N 3.28Å; K610-C614 WeakPolarHBondContact O-CB 3.43Å; K610-C614 PolarHBondContact O-N 2.89Å
611	M	92.9	Very high	91.2	Very high	3 Å²	3	57.7 Å²	57.7	2%	0.015	30%	0.299	C	S	.	.	H	α-helix	trans	-71.1	-41.4	-179.9	-172.2	54	71.4	0	0	112.6	G609 Q613 C614 L615 V625 L648 L668 F673	G609-M611 PolarHBondContact O-N 3.38Å; M611-Q613 VanDerWaalsContact C-N 3.31Å; M611-Q613 PolarHBondContact O-N 2.81Å; M611-C614 VanDerWaalsContact O-CB 3.24Å; M611-C614 WeakPolarHBondContact O-CB 3.22Å; M611-C614 PolarHBondContact O-N 3.31Å; M611-C614 VanDerWaalsContact O-N 3.15Å; M611-C614 HydrophobicContact SD-CB 4.25Å; M611-L615 HydrophobicContact CG-CD1 4.49Å; M611-L615 PolarHBondContact O-N 2.92Å; M611-V625 HydrophobicContact CE-CG1 4.19Å; M611-V625 HydrophobicContact CE-CG2 4.31Å; M611-V625 HydrophobicContact SD-CG2 4.44Å; M611-L648 HydrophobicContact CB-CD1 4.18Å; M611-L648 HydrophobicContact CE-CD1 3.94Å; M611-L648 HydrophobicContact CE-CD2 4.07Å; M611-L648 HydrophobicContact CE-CG 4.25Å; M611-L648 HydrophobicContact CG-CD1 4.22Å; M611-L668 HydrophobicContact CG-CD1 3.73Å; M611-L668 HydrophobicContact CG-CD2 3.55Å; M611-L668 HydrophobicContact CG-CG 4.31Å; M611-L668 HydrophobicContact SD-CD2 4.05Å; M611-F673 HydrophobicContact CE-CE1 3.48Å; M611-F673 VanDerWaalsContact CE-CE1 3.48Å; M611-F673 HydrophobicContact CE-CZ 3.77Å
612	I	94.1	Very high	91.3	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-67.2	-37.3	174.8	-54	-47.8	0	0	0	110.4	W502 M506 P608 G609 C614 L615 K616 D659 L662 V666	W502-I612 HydrophobicContact CE3-CG2 4.01Å; W502-I612 HydrophobicContact CZ3-CG2 4.31Å; M506-I612 HydrophobicContact CE-CD1 3.92Å; M506-I612 HydrophobicContact CE-CG2 4.2Å; M506-I612 HydrophobicContact SD-CG2 3.78Å; P608-I612 HydrophobicContact CB-CB 3.91Å; P608-I612 HydrophobicContact CB-CG1 4.31Å; P608-I612 HydrophobicContact CB-CG2 3.84Å; P608-I612 HydrophobicContact CG-CG2 4.18Å; G609-I612 PolarHBondContact O-N 2.99Å; G609-I612 VanDerWaalsContact O-N 3.1Å; I612-C614 VanDerWaalsContact C-N 3.33Å; I612-C614 PolarHBondContact O-N 3.12Å; I612-L615 PolarHBondContact O-N 2.68Å; I612-K616 PolarHBondContact O-N 2.9Å; I612-D659 HydrophobicContact CD1-CB 4.14Å; I612-D659 HydrophobicContact CG1-CB 3.85Å; I612-D659 VanDerWaalsContact CG1-OD2 3.25Å; I612-D659 WeakPolarHBondContact CG1-OD2 3.38Å; I612-L662 HydrophobicContact CB-CD1 4.48Å; I612-L662 HydrophobicContact CD1-CD1 3.57Å; I612-L662 HydrophobicContact CD1-CG 4.49Å; I612-L662 HydrophobicContact CG1-CD1 3.84Å; I612-L662 HydrophobicContact CG1-CG 4.29Å; I612-L662 HydrophobicContact CG2-CD1 3.81Å; I612-L662 HydrophobicContact CG2-CG 4.21Å; I612-V666 HydrophobicContact CD1-CG2 3.99Å
613	Q	93.6	Very high	91.6	Very high	59 Å²	59	49 Å²	49	28%	0.276	25%	0.253	S	S	.	.	H	α-helix	trans	-64.6	-34.5	171.7	-61.9	177.1	27	0	0	112.5	W502 P608 G609 K610 M611 K617	W502-Q613 HydrophobicContact CH2-CG 4.19Å; W502-Q613 HydrophobicContact CZ3-CG 4.46Å; P608-Q613 PolarHBondContact O-NE2 2.98Å; G609-Q613 WeakPolarHBondContact O-CG 3.35Å; G609-Q613 PolarHBondContact O-N 2.92Å; G609-Q613 VanDerWaalsContact O-N 3.1Å; K610-Q613 PolarHBondContact O-N 3.28Å; M611-Q613 VanDerWaalsContact C-N 3.31Å; M611-Q613 PolarHBondContact O-N 2.81Å; Q613-K617 VanDerWaalsContact O-CB 3.28Å; Q613-K617 WeakPolarHBondContact O-CB 3.38Å; Q613-K617 PolarHBondContact O-N 2.92Å
614	C	94.6	Very high	92	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-60.8	-57.8	171.6	173.6	0	0	0	0	110.4	F583 K610 M611 I612 K616 K617 T618	F583-C614 HydrophobicContact CB-CB 4.48Å; F583-C614 WeakPolarHBondContact CB-SG 3.47Å; F583-C614 HydrophobicContact CD1-CB 3.65Å; F583-C614 HydrophobicContact CD2-CB 3.99Å; F583-C614 HydrophobicContact CE1-CB 3.71Å; F583-C614 HydrophobicContact CE2-CB 4.04Å; F583-C614 HydrophobicContact CG-CB 3.8Å; F583-C614 WeakPolarHBondContact CG-SG 3.35Å; F583-C614 HydrophobicContact CZ-CB 3.91Å; K610-C614 WeakPolarHBondContact O-CB 3.43Å; K610-C614 PolarHBondContact O-N 2.89Å; M611-C614 VanDerWaalsContact O-CB 3.24Å; M611-C614 WeakPolarHBondContact O-CB 3.22Å; M611-C614 PolarHBondContact O-N 3.31Å; M611-C614 VanDerWaalsContact O-N 3.15Å; M611-C614 HydrophobicContact SD-CB 4.25Å; I612-C614 VanDerWaalsContact C-N 3.33Å; I612-C614 PolarHBondContact O-N 3.12Å; C614-K616 PolarHBondContact O-N 3.05Å; C614-K617 CarbonylContact O-C 3.53Å; C614-K617 WeakPolarHBondContact O-CA 3.44Å; C614-K617 WeakPolarHBondContact O-CB 3.43Å; C614-K617 PolarHBondContact O-N 3.14Å; C614-T618 PolarHBondContact O-N 2.78Å; C614-T618 PolarHBondContact O-OG1 2.74Å; C614-T618 VanDerWaalsContact O-OG1 3.11Å
615	L	93.2	Very high	92.6	Very high	6 Å²	6	34.4 Å²	34.4	3%	0.031	18%	0.179	C	C	.	.	H	α-helix	trans	-60.4	-40.8	-175.9	-67.9	169.3	0	0	0	112.6	M506 P507 M611 I612 K617 T618 K619 T620 P623 V666 L668	M506-L615 HydrophobicContact CE-CB 3.75Å; M506-L615 HydrophobicContact CE-CD1 3.57Å; M506-L615 HydrophobicContact CE-CG 4.31Å; M506-L615 HydrophobicContact SD-CB 4.05Å; P507-L615 HydrophobicContact CG-CB 4.14Å; P507-L615 HydrophobicContact CG-CD2 4.35Å; M611-L615 HydrophobicContact CG-CD1 4.49Å; M611-L615 PolarHBondContact O-N 2.92Å; I612-L615 PolarHBondContact O-N 2.68Å; L615-K617 VanDerWaalsContact C-N 3.27Å; L615-K617 PolarHBondContact O-N 3.1Å; L615-T618 PolarHBondContact O-OG1 2.91Å; L615-K619 WeakPolarHBondContact O-CA 3.43Å; L615-K619 PolarHBondContact O-N 3.21Å; L615-T620 VanDerWaalsContact CD2-O 3.26Å; L615-T620 WeakPolarHBondContact CD2-O 3.47Å; L615-P623 HydrophobicContact CD2-CG 4.25Å; L615-V666 HydrophobicContact CD1-CG1 3.93Å; L615-L668 HydrophobicContact CD1-CD2 3.87Å
616	K	93.2	Very high	93.2	Very high	51 Å²	51	31.1 Å²	31.1	22%	0.222	15%	0.145	C	C	.	.	H	α-helix	trans	-64.7	-27.3	173	-175	164.5	-174.5	159.9	0	113.2	D501 W502 S505 I612 C614	D501-K616 PolarHBondContact O-NZ 3.39Å; D501-K616 IonicContact OD2-NZ 2.7Å; D501-K616 PolarHBondContact OD2-NZ 2.96Å; W502-K616 HydrophobicContact CD2-CD 4.21Å; W502-K616 HydrophobicContact CE3-CD 3.41Å; W502-K616 VanDerWaalsContact CE3-CD 3.41Å; W502-K616 HydrophobicContact CH2-CD 4Å; W502-K616 HydrophobicContact CZ3-CB 4.09Å; W502-K616 HydrophobicContact CZ3-CD 3.3Å; W502-K616 HydrophobicContact CZ3-CG 4.27Å; S505-K616 VanDerWaalsContact OG-CE 3.25Å; S505-K616 WeakPolarHBondContact OG-CE 3.17Å; S505-K616 PolarHBondContact OG-NZ 3.27Å; I612-K616 PolarHBondContact O-N 2.9Å; C614-K616 PolarHBondContact O-N 3.05Å
617	K	94.4	Very high	93.4	Very high	158 Å²	158	30.5 Å²	30.5	69%	0.687	14%	0.14	S	C	*	.	H	α-helix	trans	-87.8	-40.5	-179.6	-170.6	179.9	-177.6	-179.2	0	113.1	F583 Q613 C614 L615	F583-K617 HydrophobicContact CD2-CD 4.2Å; F583-K617 HydrophobicContact CE2-CD 3.91Å; Q613-K617 VanDerWaalsContact O-CB 3.28Å; Q613-K617 WeakPolarHBondContact O-CB 3.38Å; Q613-K617 PolarHBondContact O-N 2.92Å; C614-K617 CarbonylContact O-C 3.53Å; C614-K617 WeakPolarHBondContact O-CA 3.44Å; C614-K617 WeakPolarHBondContact O-CB 3.43Å; C614-K617 PolarHBondContact O-N 3.14Å; L615-K617 VanDerWaalsContact C-N 3.27Å; L615-K617 PolarHBondContact O-N 3.1Å
618	T	93.4	Very high	93.6	Very high	16 Å²	16	26.5 Å²	26.5	10%	0.098	12%	0.12	C	C	.	.	H	α-helix	trans	-77.8	-30.6	178.8	55.6	0	0	0	0	112.4	Q581 F583 C614 L615 T620 P623	Q581-T618 HydrophobicContact CB-CG2 3.97Å; F583-T618 HydrophobicContact CB-CG2 4.08Å; C614-T618 PolarHBondContact O-N 2.78Å; C614-T618 PolarHBondContact O-OG1 2.74Å; C614-T618 VanDerWaalsContact O-OG1 3.11Å; L615-T618 PolarHBondContact O-OG1 2.91Å; T618-T620 VanDerWaalsContact C-N 3.28Å; T618-T620 PolarHBondContact O-N 2.83Å; T618-P623 HydrophobicContact CG2-CB 3.92Å
619	K	92.3	Very high	93.5	Very high	153 Å²	153	29.2 Å²	29.2	67%	0.665	13%	0.133	S	C	*	.			trans	59.7	34.2	-175.5	-51.2	177.7	-178.4	176.8	0	113.5	L615	L615-K619 WeakPolarHBondContact O-CA 3.43Å; L615-K619 PolarHBondContact O-N 3.21Å
620	T	91.9	Very high	93.4	Very high	13 Å²	13	29.3 Å²	29.3	8%	0.08	13%	0.133	C	C	.	.			trans	-144.9	146.3	178.8	56.5	0	0	0	0	110.2	T510 Q581 L615 T618 P623	T510-T620 CarbonylContact O-C 3.55Å; T510-T620 VanDerWaalsContact O-CA 3.31Å; T510-T620 WeakPolarHBondContact O-CA 3.3Å; Q581-T620 HydrophobicContact CG-CG2 3.77Å; L615-T620 VanDerWaalsContact CD2-O 3.26Å; L615-T620 WeakPolarHBondContact CD2-O 3.47Å; T618-T620 VanDerWaalsContact C-N 3.28Å; T618-T620 PolarHBondContact O-N 2.83Å; T620-P623 WeakPolarHBondContact O-CD 3.4Å
621	E	90.6	Very high	93.3	Very high	25 Å²	25	27.3 Å²	27.3	12%	0.117	13%	0.125	C	C	.	.	S	Bend	trans	-77.7	-21.3	173.5	-54.1	-168.5	151.8	0	0	114.1	P507 W508 G509 T510 P623 K670	P507-E621 VanDerWaalsContact O-CG 3.28Å; P507-E621 WeakPolarHBondContact O-CG 3.36Å; W508-E621 WeakPolarHBondContact CA-OE1 3.38Å; G509-E621 PolarHBondContact N-OE1 3.5Å; T510-E621 PolarHBondContact O-N 2.89Å; E621-P623 WeakPolarHBondContact O-CD 3.22Å; E621-K670 HydrophobicContact CB-CD 4.22Å; E621-K670 WeakPolarHBondContact OE2-CE 3.45Å; E621-K670 IonicContact OE2-NZ 2.69Å; E621-K670 PolarHBondContact OE2-NZ 3.38Å
622	N	91.2	Very high	93.1	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	14%	0.144	C	C	.	.	S	Bend	trans	-109.3	39.2	-175.3	68.6	-19.1	0	0	0	115.9	S512 E514 R580 K670	S512-N622 PolarHBondContact N-OD1 3.43Å; S512-N622 PolarHBondContact O-ND2 3.34Å; S512-N622 PolarHBondContact OG-ND2 3.36Å; S512-N622 PolarHBondContact OG-OD1 2.82Å; E514-N622 WeakPolarHBondContact CG-ND2 3.47Å; E514-N622 PolarHBondContact OE1-ND2 3.05Å; R580-N622 WeakPolarHBondContact CD-O 3.42Å; R580-N622 PolarHBondContact NH1-O 3.29Å; N622-K670 HydrophobicContact CB-CB 4.09Å
623	P	93.9	Very high	92.8	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	15%	0.152	C	C	.	.			trans	-65.9	164.4	179.1	33.3	-35.8	0	0	0	111.9	Q581 L615 T618 T620 E621 V625 V671 L672	Q581-P623 HydrophobicContact CB-CB 4.36Å; Q581-P623 CarbonylContact O-C 3.54Å; Q581-P623 WeakPolarHBondContact O-CA 3.43Å; Q581-P623 WeakPolarHBondContact O-CB 3.36Å; L615-P623 HydrophobicContact CD2-CG 4.25Å; T618-P623 HydrophobicContact CG2-CB 3.92Å; T620-P623 WeakPolarHBondContact O-CD 3.4Å; E621-P623 WeakPolarHBondContact O-CD 3.22Å; P623-V625 HydrophobicContact CG-CG2 4.17Å; P623-V671 HydrophobicContact CG-CG2 4.47Å; P623-L672 PolarHBondContact O-N 2.85Å
624	L	93.9	Very high	92	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	120.3	162.7	-168.3	161.7	0	0	0	108.2	I574 A575 R580 Q581 Y582 F583 L672 I674	I574-L624 HydrophobicContact CB-CD1 4.03Å; I574-L624 HydrophobicContact CG2-CD1 3.62Å; A575-L624 HydrophobicContact CB-CB 4.11Å; A575-L624 HydrophobicContact CB-CD1 3.95Å; R580-L624 HydrophobicContact CB-CB 4.5Å; Q581-L624 PolarHBondContact O-N 3.49Å; Y582-L624 HydrophobicContact CD2-CD2 4.31Å; F583-L624 PolarHBondContact N-O 3.47Å; L624-L672 WeakPolarHBondContact CA-O 3.26Å; L624-L672 HydrophobicContact CD1-CD2 3.93Å; L624-L672 HydrophobicContact CD1-CG 4.41Å; L624-L672 HydrophobicContact CG-CB 4.35Å; L624-L672 HydrophobicContact CG-CD2 4.25Å; L624-L672 HydrophobicContact CG-CG 4.22Å; L624-I674 HydrophobicContact CD1-CD1 3.94Å; L624-I674 HydrophobicContact CD2-CB 4.49Å; L624-I674 HydrophobicContact CD2-CD1 4.04Å; L624-I674 HydrophobicContact CD2-CG1 4.13Å; L624-I674 HydrophobicContact CG-CD1 4.29Å; L624-I674 HydrophobicContact CG-CG1 4.46Å
625	V	95.3	Very high	91.1	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	114.8	-178.5	175.9	0	0	0	0	109.7	F585 M611 P623 I627 V671 L672 F673 I674	F585-V625 HydrophobicContact CD1-CG1 4.14Å; F585-V625 HydrophobicContact CE1-CG1 3.64Å; M611-V625 HydrophobicContact CE-CG1 4.19Å; M611-V625 HydrophobicContact CE-CG2 4.31Å; M611-V625 HydrophobicContact SD-CG2 4.44Å; P623-V625 HydrophobicContact CG-CG2 4.17Å; V625-I627 HydrophobicContact CG1-CG1 4.4Å; V625-V671 HydrophobicContact CB-CG1 3.95Å; V625-V671 HydrophobicContact CG2-CG1 3.53Å; V625-L672 PolarHBondContact N-O 3.27Å; V625-F673 HydrophobicContact CB-CD1 4.33Å; V625-F673 HydrophobicContact CG1-CD1 4.4Å; V625-F673 HydrophobicContact CG1-CE1 4.46Å; V625-I674 PolarHBondContact O-N 2.71Å
626	L	96.1	Very high	89.9	Confident	0 Å²	0	43 Å²	43	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	119.3	173.1	-173	66.7	0	0	0	110.9	T568 A571 Y582 F583 R584 F585 I674 T676	T568-L626 HydrophobicContact CG2-CD2 3.64Å; A571-L626 HydrophobicContact CB-CD1 3.59Å; A571-L626 HydrophobicContact CB-CD2 3.89Å; A571-L626 HydrophobicContact CB-CG 4.24Å; Y582-L626 HydrophobicContact CE2-CB 4.24Å; Y582-L626 HydrophobicContact CE2-CD2 4.4Å; Y582-L626 VanDerWaalsContact OH-CD2 3.29Å; Y582-L626 WeakPolarHBondContact OH-CD2 3.41Å; F583-L626 PolarHBondContact O-N 2.9Å; R584-L626 WeakPolarHBondContact CA-O 3.33Å; R584-L626 HydrophobicContact CB-CB 4.17Å; R584-L626 HydrophobicContact CG-CB 4.07Å; R584-L626 HydrophobicContact CG-CD2 3.98Å; R584-L626 HydrophobicContact CG-CG 4.2Å; F585-L626 PolarHBondContact N-O 3.32Å; F585-L626 VanDerWaalsContact N-O 3.1Å; F585-L626 VanDerWaalsContact O-O 3.11Å; L626-I674 CarbonylContact C-O 3.6Å; L626-I674 WeakPolarHBondContact CA-O 3.33Å; L626-I674 HydrophobicContact CD1-CB 3.87Å; L626-I674 HydrophobicContact CD1-CG2 3.59Å; L626-I674 WeakPolarHBondContact CD1-O 3.28Å; L626-T676 HydrophobicContact CD1-CG2 3.67Å; L626-T676 HydrophobicContact CD2-CG2 4.5Å; L626-T676 HydrophobicContact CG-CG2 4.36Å
627	I	94.9	Very high	88.5	Confident	1 Å²	1	52 Å²	52	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	101.6	173	-56.4	-175.4	0	0	0	107.8	F585 V587 V625 L645 L648 L649 F673 I674 C675 T676	F585-I627 HydrophobicContact CE1-CG1 3.95Å; F585-I627 HydrophobicContact CZ-CD1 4.16Å; F585-I627 HydrophobicContact CZ-CG1 3.85Å; V587-I627 HydrophobicContact CB-CG2 4.38Å; V587-I627 HydrophobicContact CG1-CG2 3.71Å; V587-I627 HydrophobicContact CG2-CG2 3.72Å; V625-I627 HydrophobicContact CG1-CG1 4.4Å; I627-L645 HydrophobicContact CD1-CD2 4.38Å; I627-L648 HydrophobicContact CD1-CD2 4.49Å; I627-L649 HydrophobicContact CD1-CD1 4.48Å; I627-L649 HydrophobicContact CD1-CD2 4.06Å; I627-F673 HydrophobicContact CD1-CD1 4.08Å; I627-I674 PolarHBondContact N-O 3.14Å; I627-C675 CarbonylContact O-C 3.5Å; I627-C675 WeakPolarHBondContact O-CA 3.41Å; I627-T676 PolarHBondContact O-N 3.3Å
628	D	94.4	Very high	87.2	Confident	13 Å²	13	52.5 Å²	52.5	7%	0.07	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	136.7	-173.9	-135.8	-2.3	0	0	0	111.6	R584 F585 S586 V587 T676	R584-D628 WeakPolarHBondContact CD-OD2 3.3Å; R584-D628 HydrophobicContact CG-CB 4.37Å; R584-D628 IonicContact CZ-OD2 4Å; R584-D628 IonicContact NE-OD2 2.73Å; R584-D628 IonicContact NH1-OD2 2.94Å; R584-D628 PolarHBondContact NH1-OD2 2.94Å; F585-D628 PolarHBondContact O-N 3.23Å; S586-D628 CarbonylContact C-O 3.57Å; S586-D628 VanDerWaalsContact CA-O 3.26Å; S586-D628 WeakPolarHBondContact CA-O 3.36Å; V587-D628 PolarHBondContact N-O 3.11Å; D628-T676 WeakPolarHBondContact CA-OG1 3.48Å; D628-T676 PolarHBondContact OD1-OG1 3.36Å
629	E	92.9	Very high	86.2	Confident	59 Å²	59	53.3 Å²	53.3	28%	0.276	25%	0.25	S	C	.	.			trans	63.4	47.8	177.7	-47.2	-157.2	136.7	0	0	115.5	G588 D631 K632 T676	G588-E629 PolarHBondContact N-O 2.76Å; E629-D631 WeakPolarHBondContact CA-OD1 3.45Å; E629-D631 PolarHBondContact O-N 3.07Å; E629-K632 HydrophobicContact CB-CD 4.34Å; E629-K632 PolarHBondContact O-N 3.48Å; E629-K632 VanDerWaalsContact O-N 3.16Å; E629-K632 IonicContact OE1-NZ 2.71Å; E629-K632 PolarHBondContact OE1-NZ 2.89Å; E629-K632 WeakPolarHBondContact OE2-CE 3.27Å; E629-K632 IonicContact OE2-NZ 2.67Å; E629-K632 PolarHBondContact OE2-NZ 3.39Å; E629-T676 WeakPolarHBondContact CA-O 3.35Å; E629-T676 PolarHBondContact N-O 3.33Å; E629-T676 PolarHBondContact N-OG1 2.97Å; E629-T676 VanDerWaalsContact N-OG1 3.12Å
630	V	92.2	Very high	85.7	Confident	1 Å²	1	49 Å²	49	1%	0.006	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-62.4	-18	174.7	81.9	0	0	0	0	113.3	V587 K632 I633 C675 T676 A677 I683	V587-V630 HydrophobicContact CG2-CB 4.25Å; V587-V630 HydrophobicContact CG2-CG2 4.37Å; V630-K632 PolarHBondContact O-N 3.17Å; V630-I633 HydrophobicContact CG2-CD1 3.79Å; V630-I633 WeakPolarHBondContact O-CD1 3.25Å; V630-I633 WeakPolarHBondContact O-CG1 3.39Å; V630-C675 HydrophobicContact CG1-CB 4.34Å; V630-T676 WeakPolarHBondContact CG1-O 3.46Å; V630-T676 PolarHBondContact N-O 3.44Å; V630-A677 HydrophobicContact CG1-CB 4Å; V630-I683 HydrophobicContact CG1-CD1 4.24Å; V630-I683 HydrophobicContact CG1-CG1 4.34Å
631	D	90.6	Very high	85.4	Confident	15 Å²	15	48.5 Å²	48.5	8%	0.08	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-76.2	-3	175.7	61.4	-46.9	0	0	0	114.3	E629 A677 N678 T682 I683	E629-D631 WeakPolarHBondContact CA-OD1 3.45Å; E629-D631 PolarHBondContact O-N 3.07Å; D631-A677 HydrophobicContact CB-CB 3.99Å; D631-N678 PolarHBondContact OD1-N 3.02Å; D631-N678 PolarHBondContact OD1-ND2 3.1Å; D631-N678 WeakPolarHBondContact OD2-CA 3.33Å; D631-N678 WeakPolarHBondContact OD2-CB 3.44Å; D631-N678 PolarHBondContact OD2-N 3.37Å; D631-N678 PolarHBondContact OD2-ND2 3.01Å; D631-T682 WeakPolarHBondContact O-CB 3.45Å; D631-T682 PolarHBondContact O-OG1 2.79Å; D631-I683 HydrophobicContact CB-CG1 4.45Å
632	K	88.5	Confident	85.2	Confident	93 Å²	93	47.9 Å²	47.9	40%	0.404	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-128.3	26.1	-174.9	-54.9	-175	-156.8	166.4	0	114	G588 G589 E629 V630 G634	G588-K632 WeakPolarHBondContact CA-O 3.46Å; G589-K632 PolarHBondContact N-O 2.69Å; E629-K632 HydrophobicContact CB-CD 4.34Å; E629-K632 PolarHBondContact O-N 3.48Å; E629-K632 VanDerWaalsContact O-N 3.16Å; E629-K632 IonicContact OE1-NZ 2.71Å; E629-K632 PolarHBondContact OE1-NZ 2.89Å; E629-K632 WeakPolarHBondContact OE2-CE 3.27Å; E629-K632 IonicContact OE2-NZ 2.67Å; E629-K632 PolarHBondContact OE2-NZ 3.39Å; V630-K632 PolarHBondContact O-N 3.17Å; K632-G634 PolarHBondContact O-N 2.88Å
633	I	86.8	Confident	85	Confident	32 Å²	32	50.9 Å²	50.9	16%	0.164	25%	0.25	C	C	.	.			trans	-61.7	130.7	174.9	-64.1	163	0	0	0	109.3	V587 V630 P641 L645 L687	V587-I633 HydrophobicContact CB-CG1 4.34Å; V587-I633 HydrophobicContact CG2-CG1 3.98Å; V630-I633 HydrophobicContact CG2-CD1 3.79Å; V630-I633 WeakPolarHBondContact O-CD1 3.25Å; V630-I633 WeakPolarHBondContact O-CG1 3.39Å; I633-P641 HydrophobicContact CG2-CB 4.38Å; I633-P641 HydrophobicContact CG2-CG 3.71Å; I633-L645 HydrophobicContact CD1-CD1 3.54Å; I633-L645 HydrophobicContact CG1-CD1 4.28Å; I633-L687 HydrophobicContact CD1-CD1 4.45Å
634	G	76.8	Confident	84.8	Confident	17 Å²	17	50.9 Å²	50.9	18%	0.175	25%	0.25	C	C	.	.			trans	-86.3	132.2	179.4	0	0	0	0	0	112	M590 K632 G636 P641	M590-G634 WeakPolarHBondContact O-CA 3.36Å; M590-G634 PolarHBondContact O-N 3.04Å; K632-G634 PolarHBondContact O-N 2.88Å; G634-G636 PolarHBondContact O-N 3.36Å; G634-G636 VanDerWaalsContact O-N 3.15Å; G634-P641 WeakPolarHBondContact O-CG 3.36Å
635	R	75.6	Confident	84.7	Confident	230 Å²	230	50.9 Å²	50.9	87%	0.868	25%	0.25	S	S	*	.			trans	-75.1	101.3	170.6	-67.6	-176	-180	178.4	0.7	109.4
636	G	68.1	Low	84.4	Confident	24 Å²	24	52.7 Å²	52.7	25%	0.247	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-82.4	159.1	179.4	0	0	0	0	0	114	T591 G634	T591-G636 WeakPolarHBondContact O-CA 3.4Å; G634-G636 PolarHBondContact O-N 3.36Å; G634-G636 VanDerWaalsContact O-N 3.15Å
637	Y	65.3	Low	84	Confident	242 Å²	242	54.9 Å²	54.9	95%	0.949	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-19	172.8	-71	-81	0	0	0	113.6
638	Q	65.6	Low	83.8	Confident	167 Å²	167	54.9 Å²	54.9	78%	0.78	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	16.2	-176.4	-68.4	-177.3	-49.6	0	0	113.4
639	G	72.6	Confident	83.5	Confident	34 Å²	34	54.4 Å²	54.4	35%	0.351	27%	0.267	S	S	.	.	B	Isolated β-bridge	trans	128.5	160	-176.9	0	0	0	0	0	111.4	P641	G639-P641 WeakPolarHBondContact O-CD 2.93Å
640	D	82.4	Confident	83.2	Confident	63 Å²	63	51.9 Å²	51.9	34%	0.337	26%	0.256	S	S	.	.			trans	-90.6	113.6	174.4	-175.1	-2.4	0	0	0	110	S642 S643	D640-S642 PolarHBondContact O-N 2.95Å; D640-S642 VanDerWaalsContact O-N 3.09Å; D640-S642 VanDerWaalsContact OD1-CB 3.29Å; D640-S642 WeakPolarHBondContact OD1-CB 3.44Å; D640-S642 PolarHBondContact OD1-N 3.02Å; D640-S642 PolarHBondContact OD1-OG 3.42Å; D640-S642 WeakPolarHBondContact OD2-CB 3.33Å; D640-S642 PolarHBondContact OD2-OG 3.02Å; D640-S643 WeakPolarHBondContact O-CB 3.06Å; D640-S643 PolarHBondContact O-N 3.4Å; D640-S643 PolarHBondContact O-OG 3.46Å
641	P	86.8	Confident	82.8	Confident	2 Å²	2	55 Å²	55	1%	0.013	28%	0.276	C	S	.	.	H	α-helix	trans	-59.3	-16.1	174.2	21.9	-31.2	0	0	0	114.1	I596 I633 G634 G639 S643 A644 L645	I596-P641 HydrophobicContact CD1-CB 4.12Å; I633-P641 HydrophobicContact CG2-CB 4.38Å; I633-P641 HydrophobicContact CG2-CG 3.71Å; G634-P641 WeakPolarHBondContact O-CG 3.36Å; G639-P641 WeakPolarHBondContact O-CD 2.93Å; P641-S643 VanDerWaalsContact C-N 3.25Å; P641-S643 PolarHBondContact O-N 3.47Å; P641-A644 PolarHBondContact O-N 2.88Å; P641-L645 PolarHBondContact O-N 3.22Å; P641-L645 VanDerWaalsContact O-N 3.11Å
642	S	86.3	Confident	82.4	Confident	11 Å²	11	62.2 Å²	62.2	8%	0.077	31%	0.309	C	S	.	.	H	α-helix	trans	-59.3	-35.1	169.5	85.8	0	0	0	0	112.8	D640 L645 L646	D640-S642 PolarHBondContact O-N 2.95Å; D640-S642 VanDerWaalsContact O-N 3.09Å; D640-S642 VanDerWaalsContact OD1-CB 3.29Å; D640-S642 WeakPolarHBondContact OD1-CB 3.44Å; D640-S642 PolarHBondContact OD1-N 3.02Å; D640-S642 PolarHBondContact OD1-OG 3.42Å; D640-S642 WeakPolarHBondContact OD2-CB 3.33Å; D640-S642 PolarHBondContact OD2-OG 3.02Å; S642-L645 PolarHBondContact O-N 2.86Å; S642-L646 WeakPolarHBondContact O-CG 3.24Å; S642-L646 PolarHBondContact O-N 2.93Å
643	S	87.1	Confident	82.4	Confident	64 Å²	64	61.9 Å²	61.9	45%	0.448	31%	0.309	S	S	.	.	H	α-helix	trans	-66.3	-38.8	178.2	66.8	0	0	0	0	112.5	D640 P641 L646 E647	D640-S643 WeakPolarHBondContact O-CB 3.06Å; D640-S643 PolarHBondContact O-N 3.4Å; D640-S643 PolarHBondContact O-OG 3.46Å; P641-S643 VanDerWaalsContact C-N 3.25Å; P641-S643 PolarHBondContact O-N 3.47Å; S643-L646 WeakPolarHBondContact O-CB 3.38Å; S643-L646 PolarHBondContact O-N 2.64Å; S643-E647 PolarHBondContact O-N 3.39Å
644	A	89.3	Confident	82.4	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-72.8	-28.4	175.6	0	0	0	0	0	112.5	V593 I596 K597 P641 L648	V593-A644 HydrophobicContact CG1-CB 3.96Å; I596-A644 HydrophobicContact CB-CB 4.13Å; I596-A644 HydrophobicContact CD1-CB 3.98Å; I596-A644 HydrophobicContact CG2-CB 4.04Å; K597-A644 HydrophobicContact CG-CB 4.21Å; P641-A644 PolarHBondContact O-N 2.88Å; A644-L648 WeakPolarHBondContact O-CB 3.48Å; A644-L648 PolarHBondContact O-N 2.94Å
645	L	90.3	Very high	83	Confident	1 Å²	1	62.2 Å²	62.2	1%	0.005	31%	0.31	C	S	.	.	H	α-helix	trans	-72	-34.8	169.2	-69.3	177.5	0	0	0	112.3	V587 I596 I627 I633 P641 S642 L648 L649 L687	V587-L645 HydrophobicContact CG1-CD1 4.3Å; V587-L645 HydrophobicContact CG1-CD2 4.33Å; I596-L645 HydrophobicContact CD1-CD2 3.77Å; I596-L645 HydrophobicContact CD1-CG 3.76Å; I627-L645 HydrophobicContact CD1-CD2 4.38Å; I633-L645 HydrophobicContact CD1-CD1 3.54Å; I633-L645 HydrophobicContact CG1-CD1 4.28Å; P641-L645 PolarHBondContact O-N 3.22Å; P641-L645 VanDerWaalsContact O-N 3.11Å; S642-L645 PolarHBondContact O-N 2.86Å; L645-L648 HydrophobicContact CD2-CD2 4.19Å; L645-L648 PolarHBondContact O-N 3.17Å; L645-L649 HydrophobicContact CB-CD1 4.38Å; L645-L649 WeakPolarHBondContact O-CB 3.4Å; L645-L649 WeakPolarHBondContact O-CD1 3.27Å; L645-L649 WeakPolarHBondContact O-CG 3.42Å; L645-L649 PolarHBondContact O-N 3.09Å; L645-L687 HydrophobicContact CB-CD1 4.36Å; L645-L687 HydrophobicContact CB-CD2 4.29Å
646	L	89.1	Confident	83.7	Confident	37 Å²	37	56.5 Å²	56.5	19%	0.194	30%	0.297	C	S	.	.	H	α-helix	trans	-60.1	-51.9	174.2	-77.1	163.7	0	0	0	110.9	S642 S643 L648 L649 D650 P686 L687	S642-L646 WeakPolarHBondContact O-CG 3.24Å; S642-L646 PolarHBondContact O-N 2.93Å; S643-L646 WeakPolarHBondContact O-CB 3.38Å; S643-L646 PolarHBondContact O-N 2.64Å; L646-L648 VanDerWaalsContact C-N 3.29Å; L646-L648 PolarHBondContact O-N 3.38Å; L646-L649 PolarHBondContact O-N 2.81Å; L646-L649 VanDerWaalsContact O-N 3.16Å; L646-D650 VanDerWaalsContact O-CB 3.23Å; L646-D650 WeakPolarHBondContact O-CB 3.4Å; L646-D650 PolarHBondContact O-N 3.38Å; L646-P686 HydrophobicContact CD1-CB 4.16Å; L646-P686 HydrophobicContact CD2-CB 4.07Å; L646-P686 WeakPolarHBondContact CD2-O 3.38Å; L646-L687 HydrophobicContact CD2-CD2 3.62Å; L646-L687 HydrophobicContact CD2-CG 3.83Å; L646-L687 HydrophobicContact CG-CD2 3.83Å; L646-L687 HydrophobicContact CG-CG 3.99Å
647	E	89.1	Confident	84.9	Confident	47 Å²	47	55.3 Å²	55.3	22%	0.22	29%	0.285	C	S	.	.	H	α-helix	trans	-61	-35.1	177.5	-174.1	-179.9	122.2	0	0	113.3	K597 S643 Q653 F657	K597-E647 VanDerWaalsContact CE-OE1 3.32Å; K597-E647 WeakPolarHBondContact CE-OE1 3.42Å; K597-E647 IonicContact NZ-OE1 3.7Å; K597-E647 PolarHBondContact NZ-OE1 2.67Å; K597-E647 IonicContact NZ-OE2 2.66Å; K597-E647 PolarHBondContact NZ-OE2 3.06Å; S643-E647 PolarHBondContact O-N 3.39Å; E647-Q653 HydrophobicContact CG-CB 4.39Å; E647-F657 HydrophobicContact CG-CD2 4.43Å
648	L	90.4	Very high	86.1	Confident	1 Å²	1	47 Å²	47	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-69.2	-33.9	176.8	-168.5	78.7	0	0	0	112.8	I596 M611 I627 A644 L645 L646 N654 F657 L668 F673	I596-L648 HydrophobicContact CG2-CD2 4.45Å; M611-L648 HydrophobicContact CB-CD1 4.18Å; M611-L648 HydrophobicContact CE-CD1 3.94Å; M611-L648 HydrophobicContact CE-CD2 4.07Å; M611-L648 HydrophobicContact CE-CG 4.25Å; M611-L648 HydrophobicContact CG-CD1 4.22Å; I627-L648 HydrophobicContact CD1-CD2 4.49Å; A644-L648 WeakPolarHBondContact O-CB 3.48Å; A644-L648 PolarHBondContact O-N 2.94Å; L645-L648 HydrophobicContact CD2-CD2 4.19Å; L645-L648 PolarHBondContact O-N 3.17Å; L646-L648 VanDerWaalsContact C-N 3.29Å; L646-L648 PolarHBondContact O-N 3.38Å; L648-N654 WeakPolarHBondContact O-CB 3.47Å; L648-F657 HydrophobicContact CB-CE2 4.31Å; L648-F657 HydrophobicContact CD1-CD2 3.87Å; L648-F657 HydrophobicContact CD1-CE1 4.29Å; L648-F657 HydrophobicContact CD1-CE2 3.53Å; L648-F657 HydrophobicContact CD1-CG 4.38Å; L648-F657 HydrophobicContact CD1-CZ 3.76Å; L648-L668 HydrophobicContact CD1-CD1 3.49Å; L648-L668 VanDerWaalsContact CD1-CD1 3.49Å; L648-L668 HydrophobicContact CG-CD1 4.45Å; L648-F673 HydrophobicContact CD2-CE1 4.02Å; L648-F673 HydrophobicContact CG-CE1 4.03Å; L648-F673 HydrophobicContact CG-CZ 4.09Å; L648-F673 WeakPolarHBondContact O-CZ 3.29Å
649	L	88.8	Confident	87.4	Confident	3 Å²	3	39.1 Å²	39.1	2%	0.016	22%	0.22	C	C	.	.	H	α-helix	trans	-100.2	-24.4	-170.3	-71	172	0	0	0	113.4	I556 I627 L645 L646 P651 F673 L687 M691	I556-L649 HydrophobicContact CD1-CB 3.75Å; I556-L649 HydrophobicContact CD1-CD2 4.22Å; I556-L649 HydrophobicContact CD1-CG 4.41Å; I556-L649 HydrophobicContact CG1-CD2 4.27Å; I556-L649 HydrophobicContact CG2-CD2 4.29Å; I627-L649 HydrophobicContact CD1-CD1 4.48Å; I627-L649 HydrophobicContact CD1-CD2 4.06Å; L645-L649 HydrophobicContact CB-CD1 4.38Å; L645-L649 WeakPolarHBondContact O-CB 3.4Å; L645-L649 WeakPolarHBondContact O-CD1 3.27Å; L645-L649 WeakPolarHBondContact O-CG 3.42Å; L645-L649 PolarHBondContact O-N 3.09Å; L646-L649 PolarHBondContact O-N 2.81Å; L646-L649 VanDerWaalsContact O-N 3.16Å; L649-P651 WeakPolarHBondContact O-CD 3.47Å; L649-F673 HydrophobicContact CD2-CB 3.63Å; L649-F673 HydrophobicContact CD2-CD1 3.5Å; L649-F673 VanDerWaalsContact CD2-CD1 3.5Å; L649-F673 HydrophobicContact CD2-CD2 4.07Å; L649-F673 HydrophobicContact CD2-CE1 4.08Å; L649-F673 HydrophobicContact CD2-CG 3.47Å; L649-F673 VanDerWaalsContact CD2-CG 3.47Å; L649-L687 HydrophobicContact CD1-CD2 3.78Å; L649-M691 HydrophobicContact CD1-CE 3.79Å
650	D	85.7	Confident	88.4	Confident	6 Å²	6	40.3 Å²	40.3	3%	0.032	22%	0.216	C	C	.	.			trans	-64.6	117.3	-179.4	-168.6	-14	0	0	0	111.3	L646 E652 Q653 N654 R690	L646-D650 VanDerWaalsContact O-CB 3.23Å; L646-D650 WeakPolarHBondContact O-CB 3.4Å; L646-D650 PolarHBondContact O-N 3.38Å; D650-E652 PolarHBondContact O-N 2.69Å; D650-E652 VanDerWaalsContact O-N 3.1Å; D650-E652 PolarHBondContact OD1-N 3.47Å; D650-E652 VanDerWaalsContact OD1-N 3.08Å; D650-Q653 HydrophobicContact CB-CB 4.09Å; D650-Q653 HydrophobicContact CB-CG 4.03Å; D650-Q653 PolarHBondContact O-N 2.92Å; D650-Q653 PolarHBondContact OD2-NE2 2.96Å; D650-Q653 VanDerWaalsContact OD2-NE2 3.16Å; D650-N654 VanDerWaalsContact O-CB 3.28Å; D650-N654 WeakPolarHBondContact O-CB 3.2Å; D650-N654 VanDerWaalsContact O-CG 3.27Å; D650-N654 PolarHBondContact O-N 2.81Å; D650-N654 PolarHBondContact O-ND2 3.32Å; D650-R690 IonicContact OD1-CZ 3Å; D650-R690 IonicContact OD1-NH1 3.6Å; D650-R690 PolarHBondContact OD1-NH1 2.91Å; D650-R690 IonicContact OD2-CZ 3.38Å; D650-R690 VanDerWaalsContact OD2-CZ 3.23Å; D650-R690 IonicContact OD2-NH1 2.68Å; D650-R690 PolarHBondContact OD2-NH1 2.81Å; D650-R690 IonicContact OD2-NH2 3.18Å; D650-R690 PolarHBondContact OD2-NH2 3.1Å
651	P	82.7	Confident	89	Confident	65 Å²	65	38 Å²	38	42%	0.422	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-20.2	177.5	-24.9	36.1	0	0	0	114.9	L649	L649-P651 WeakPolarHBondContact O-CD 3.47Å
652	E	83.9	Confident	89.2	Confident	167 Å²	167	37.9 Å²	37.9	78%	0.78	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-25.2	176.7	-61.7	-171.2	167.4	0	0	112.8	D650	D650-E652 PolarHBondContact O-N 2.69Å; D650-E652 VanDerWaalsContact O-N 3.1Å; D650-E652 PolarHBondContact OD1-N 3.47Å; D650-E652 VanDerWaalsContact OD1-N 3.08Å
653	Q	86.9	Confident	89.4	Confident	86 Å²	86	42.4 Å²	42.4	40%	0.402	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.6	-30.3	-174	-53.8	-178.3	19.1	0	0	112.7	E647 D650 S655 N656	E647-Q653 HydrophobicContact CG-CB 4.39Å; D650-Q653 HydrophobicContact CB-CB 4.09Å; D650-Q653 HydrophobicContact CB-CG 4.03Å; D650-Q653 PolarHBondContact O-N 2.92Å; D650-Q653 PolarHBondContact OD2-NE2 2.96Å; D650-Q653 VanDerWaalsContact OD2-NE2 3.16Å; Q653-S655 PolarHBondContact O-N 2.72Å; Q653-S655 VanDerWaalsContact O-N 3.1Å; Q653-N656 CarbonylContact O-C 3.59Å; Q653-N656 PolarHBondContact O-N 3.44Å
654	N	88.6	Confident	89.7	Confident	11 Å²	11	39.8 Å²	39.8	6%	0.059	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-67.1	-14.2	-171.4	73.6	15.9	0	0	0	114.9	L648 D650 N656 L668 S669	L648-N654 WeakPolarHBondContact O-CB 3.47Å; D650-N654 VanDerWaalsContact O-CB 3.28Å; D650-N654 WeakPolarHBondContact O-CB 3.2Å; D650-N654 VanDerWaalsContact O-CG 3.27Å; D650-N654 PolarHBondContact O-N 2.81Å; D650-N654 PolarHBondContact O-ND2 3.32Å; N654-N656 VanDerWaalsContact C-N 3.28Å; N654-L668 HydrophobicContact CB-CB 4.25Å; N654-L668 WeakPolarHBondContact O-CA 3.41Å; N654-L668 WeakPolarHBondContact O-CB 3.38Å; N654-L668 PolarHBondContact O-N 2.96Å; N654-S669 WeakPolarHBondContact OD1-CA 3.41Å; N654-S669 WeakPolarHBondContact OD1-CB 3.39Å
655	S	88.4	Confident	89.8	Confident	45 Å²	45	41.9 Å²	41.9	32%	0.315	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-71.7	-22.2	171.1	58.7	0	0	0	0	113.2	Q653 D667	Q653-S655 PolarHBondContact O-N 2.72Å; Q653-S655 VanDerWaalsContact O-N 3.1Å; S655-D667 WeakPolarHBondContact O-CA 3.46Å
656	N	90.1	Very high	89.8	Confident	110 Å²	110	42 Å²	42	59%	0.588	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-122.9	29.7	-176.7	-65.5	-53.6	0	0	0	112	Q653 N654 L658 P665	Q653-N656 CarbonylContact O-C 3.59Å; Q653-N656 PolarHBondContact O-N 3.44Å; N654-N656 VanDerWaalsContact C-N 3.28Å; N656-L658 PolarHBondContact O-N 3.37Å; N656-P665 HydrophobicContact CB-CB 4.43Å
657	F	92.8	Very high	89.8	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	124.7	-174.9	175.4	-96.3	0	0	0	111.7	K597 E647 L648 D659 V666 L668	K597-F657 HydrophobicContact CG-CZ 4.34Å; E647-F657 HydrophobicContact CG-CD2 4.43Å; L648-F657 HydrophobicContact CB-CE2 4.31Å; L648-F657 HydrophobicContact CD1-CD2 3.87Å; L648-F657 HydrophobicContact CD1-CE1 4.29Å; L648-F657 HydrophobicContact CD1-CE2 3.53Å; L648-F657 HydrophobicContact CD1-CG 4.38Å; L648-F657 HydrophobicContact CD1-CZ 3.76Å; F657-D659 HydrophobicContact CE1-CB 4.07Å; F657-V666 PolarHBondContact N-O 3.33Å; F657-V666 PolarHBondContact O-N 2.93Å; F657-L668 HydrophobicContact CB-CD1 3.64Å; F657-L668 HydrophobicContact CB-CG 4.07Å; F657-L668 HydrophobicContact CD1-CD1 3.73Å; F657-L668 HydrophobicContact CD2-CD1 4.14Å; F657-L668 HydrophobicContact CE1-CD1 4.42Å; F657-L668 HydrophobicContact CG-CD1 3.55Å; F657-L668 HydrophobicContact CG-CG 4.43Å
658	L	91.3	Very high	89.9	Confident	68 Å²	68	40.3 Å²	40.3	36%	0.356	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	100	-174.4	-164.9	159.6	0	0	0	111.1	N656	N656-L658 PolarHBondContact O-N 3.37Å
659	D	93.3	Very high	89.7	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.223	C	C	.	.			trans	-75.7	129.1	168.8	176.5	-75.6	0	0	0	110.1	K597 G609 I612 F657 Y661 L662 D663	K597-D659 CarbonylContact O-C 3.5Å; K597-D659 WeakPolarHBondContact O-CA 3.16Å; G609-D659 WeakPolarHBondContact CA-OD2 3.4Å; G609-D659 PolarHBondContact N-OD2 3.07Å; I612-D659 HydrophobicContact CD1-CB 4.14Å; I612-D659 HydrophobicContact CG1-CB 3.85Å; I612-D659 VanDerWaalsContact CG1-OD2 3.25Å; I612-D659 WeakPolarHBondContact CG1-OD2 3.38Å; F657-D659 HydrophobicContact CE1-CB 4.07Å; D659-Y661 VanDerWaalsContact C-N 3.26Å; D659-Y661 PolarHBondContact O-N 2.94Å; D659-Y661 WeakPolarHBondContact OD1-CA 3.49Å; D659-Y661 WeakPolarHBondContact OD1-CB 3.44Å; D659-Y661 PolarHBondContact OD1-N 2.97Å; D659-L662 HydrophobicContact CB-CB 4.27Å; D659-L662 PolarHBondContact O-N 2.85Å; D659-L662 PolarHBondContact OD1-N 3.08Å; D659-D663 PolarHBondContact O-N 3.33Å
660	H	93.4	Very high	89.7	Confident	60 Å²	60	44.1 Å²	44.1	28%	0.278	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-17.9	-175.8	-63.6	-21.8	0	0	0	114.5	K597 R600	K597-H660 PolarHBondContact O-N 2.8Å; R600-H660 WeakPolarHBondContact CA-O 3.18Å; R600-H660 HydrophobicContact CG-CB 4.19Å
661	Y	94.1	Very high	89.9	Confident	13 Å²	13	44.3 Å²	44.3	5%	0.051	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-41	171.5	-174.4	-88.5	0	0	0	110.6	Y499 W502 H599 R601 A606 P608 D659	Y499-Y661 HydrophobicContact CD2-CE1 4.39Å; W502-Y661 HydrophobicContact CB-CE1 4.32Å; W502-Y661 AromaticContact CD1-CE1 3.49Å; W502-Y661 VanDerWaalsContact CD1-CE1 3.49Å; W502-Y661 AromaticContact CD1-CZ 3.9Å; W502-Y661 AromaticContact CG-CE1 3.98Å; W502-Y661 HydrophobicContact CG-CE1 3.98Å; H599-Y661 VanDerWaalsContact O-CA 3.28Å; H599-Y661 WeakPolarHBondContact O-CA 3.09Å; H599-Y661 VanDerWaalsContact O-CB 3.26Å; H599-Y661 WeakPolarHBondContact O-CB 3.42Å; H599-Y661 WeakPolarHBondContact O-CD2 3.47Å; H599-Y661 PolarHBondContact O-N 2.91Å; R601-Y661 WeakPolarHBondContact CD-O 3.26Å; R601-Y661 HydrophobicContact CG-CD2 4.31Å; R601-Y661 HydrophobicContact CG-CG 4.49Å; R601-Y661 WeakPolarHBondContact CG-O 3.25Å; R601-Y661 PolarHBondContact NE-O 2.83Å; A606-Y661 HydrophobicContact CB-CD2 3.88Å; A606-Y661 HydrophobicContact CB-CE2 3.94Å; A606-Y661 VanDerWaalsContact O-CE2 3.26Å; A606-Y661 WeakPolarHBondContact O-CE2 3.49Å; P608-Y661 HydrophobicContact CB-CD1 3.78Å; P608-Y661 HydrophobicContact CB-CG 3.91Å; P608-Y661 HydrophobicContact CG-CD1 4.15Å; P608-Y661 HydrophobicContact CG-CG 4.47Å; D659-Y661 VanDerWaalsContact C-N 3.26Å; D659-Y661 PolarHBondContact O-N 2.94Å; D659-Y661 WeakPolarHBondContact OD1-CA 3.49Å; D659-Y661 WeakPolarHBondContact OD1-CB 3.44Å; D659-Y661 PolarHBondContact OD1-N 2.97Å
662	L	91.6	Very high	90.3	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-38.9	-179.6	-71.3	-170.1	0	0	0	113.8	Y499 W502 L503 M506 R601 I612 D659 V664 V666	Y499-L662 HydrophobicContact CD2-CD2 4.35Å; Y499-L662 HydrophobicContact CE2-CD2 4.01Å; Y499-L662 WeakPolarHBondContact CE2-O 3.46Å; Y499-L662 PolarHBondContact OH-O 2.88Å; W502-L662 HydrophobicContact CB-CD2 4.18Å; L503-L662 HydrophobicContact CD2-CD2 4.14Å; M506-L662 HydrophobicContact CE-CD1 4.4Å; R601-L662 PolarHBondContact NH2-O 2.89Å; I612-L662 HydrophobicContact CB-CD1 4.48Å; I612-L662 HydrophobicContact CD1-CD1 3.57Å; I612-L662 HydrophobicContact CD1-CG 4.49Å; I612-L662 HydrophobicContact CG1-CD1 3.84Å; I612-L662 HydrophobicContact CG1-CG 4.29Å; I612-L662 HydrophobicContact CG2-CD1 3.81Å; I612-L662 HydrophobicContact CG2-CG 4.21Å; D659-L662 HydrophobicContact CB-CB 4.27Å; D659-L662 PolarHBondContact O-N 2.85Å; D659-L662 PolarHBondContact OD1-N 3.08Å; L662-V664 HydrophobicContact CB-CG2 4.08Å; L662-V664 PolarHBondContact O-N 2.82Å; L662-V666 HydrophobicContact CD1-CG2 4.11Å
663	D	91.3	Very high	90.7	Very high	106 Å²	106	33.8 Å²	33.8	57%	0.567	18%	0.18	S	C	*	.			trans	54.6	27	-177.2	-141.1	29.4	0	0	0	114	R601 D659	R601-D663 VanDerWaalsContact NH2-CB 3.31Å; D659-D663 PolarHBondContact O-N 3.33Å
664	V	91.6	Very high	91.1	Very high	9 Å²	9	29.7 Å²	29.7	6%	0.055	16%	0.161	C	C	.	.	S	Bend	trans	-131.3	145.7	170.8	-67.2	0	0	0	0	108.6	V475 L503 L662	V475-V664 HydrophobicContact CG1-CG1 4.29Å; V475-V664 HydrophobicContact CG2-CG1 4.33Å; L503-V664 HydrophobicContact CD2-CG2 4.05Å; L662-V664 HydrophobicContact CB-CG2 4.08Å; L662-V664 PolarHBondContact O-N 2.82Å
665	P	91.4	Very high	91.4	Very high	44 Å²	44	29.1 Å²	29.1	29%	0.286	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	137.5	179.1	28.7	-33.8	0	0	0	110.7	N656	N656-P665 HydrophobicContact CB-CB 4.43Å
666	V	91.1	Very high	91.7	Very high	3 Å²	3	27.1 Å²	27.1	2%	0.018	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	123.9	177.8	-174.8	0	0	0	0	109.1	M506 W508 I612 L615 F657 L662 L668	M506-V666 HydrophobicContact CE-CG1 4.33Å; W508-V666 HydrophobicContact CH2-CG2 4.33Å; I612-V666 HydrophobicContact CD1-CG2 3.99Å; L615-V666 HydrophobicContact CD1-CG1 3.93Å; F657-V666 PolarHBondContact N-O 3.33Å; F657-V666 PolarHBondContact O-N 2.93Å; L662-V666 HydrophobicContact CD1-CG2 4.11Å; V666-L668 HydrophobicContact CG1-CD2 3.95Å; V666-L668 PolarHBondContact O-N 2.88Å
667	D	89.8	Confident	91.9	Very high	50 Å²	50	21.9 Å²	21.9	27%	0.267	12%	0.116	S	C	.	.			trans	-72.8	107.6	174.7	172.9	30.8	0	0	0	110.9	S655 S669 K670	S655-D667 WeakPolarHBondContact O-CA 3.46Å; D667-S669 WeakPolarHBondContact OD1-CB 3.17Å; D667-S669 PolarHBondContact OD1-N 3.49Å; D667-S669 PolarHBondContact OD1-OG 3.09Å; D667-K670 IonicContact OD2-NZ 2.72Å; D667-K670 PolarHBondContact OD2-NZ 2.98Å
668	L	90.3	Very high	91.7	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.125	C	C	.	.			trans	-102.3	3.6	172.8	-53.6	178.5	0	0	0	112.4	M611 L615 L648 N654 F657 V666 K670 V671	M611-L668 HydrophobicContact CG-CD1 3.73Å; M611-L668 HydrophobicContact CG-CD2 3.55Å; M611-L668 HydrophobicContact CG-CG 4.31Å; M611-L668 HydrophobicContact SD-CD2 4.05Å; L615-L668 HydrophobicContact CD1-CD2 3.87Å; L648-L668 HydrophobicContact CD1-CD1 3.49Å; L648-L668 VanDerWaalsContact CD1-CD1 3.49Å; L648-L668 HydrophobicContact CG-CD1 4.45Å; N654-L668 HydrophobicContact CB-CB 4.25Å; N654-L668 WeakPolarHBondContact O-CA 3.41Å; N654-L668 WeakPolarHBondContact O-CB 3.38Å; N654-L668 PolarHBondContact O-N 2.96Å; F657-L668 HydrophobicContact CB-CD1 3.64Å; F657-L668 HydrophobicContact CB-CG 4.07Å; F657-L668 HydrophobicContact CD1-CD1 3.73Å; F657-L668 HydrophobicContact CD2-CD1 4.14Å; F657-L668 HydrophobicContact CE1-CD1 4.42Å; F657-L668 HydrophobicContact CG-CD1 3.55Å; F657-L668 HydrophobicContact CG-CG 4.43Å; V666-L668 HydrophobicContact CG1-CD2 3.95Å; V666-L668 PolarHBondContact O-N 2.88Å; L668-K670 PolarHBondContact O-N 2.98Å; L668-V671 HydrophobicContact CB-CG2 4.12Å; L668-V671 HydrophobicContact CD2-CG2 4.23Å; L668-V671 VanDerWaalsContact O-CB 3.27Å; L668-V671 WeakPolarHBondContact O-CB 3.42Å; L668-V671 WeakPolarHBondContact O-CG2 3.44Å; L668-V671 PolarHBondContact O-N 3.04Å
669	S	87.3	Confident	91.5	Very high	27 Å²	27	23.8 Å²	23.8	19%	0.189	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-18.9	-175.5	73.3	0	0	0	0	113.7	Q553 N654 D667	Q553-S669 WeakPolarHBondContact CG-O 3.47Å; Q553-S669 PolarHBondContact NE2-O 2.93Å; Q553-S669 PolarHBondContact NE2-OG 2.82Å; N654-S669 WeakPolarHBondContact OD1-CA 3.41Å; N654-S669 WeakPolarHBondContact OD1-CB 3.39Å; D667-S669 WeakPolarHBondContact OD1-CB 3.17Å; D667-S669 PolarHBondContact OD1-N 3.49Å; D667-S669 PolarHBondContact OD1-OG 3.09Å
670	K	87.3	Confident	91.2	Very high	57 Å²	57	25 Å²	25	25%	0.248	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-15.6	175.7	-50.7	-173.4	-171.7	89.5	0	113.5	R580 E621 N622 D667 L668	R580-K670 PolarHBondContact NH1-O 2.97Å; E621-K670 HydrophobicContact CB-CD 4.22Å; E621-K670 WeakPolarHBondContact OE2-CE 3.45Å; E621-K670 IonicContact OE2-NZ 2.69Å; E621-K670 PolarHBondContact OE2-NZ 3.38Å; N622-K670 HydrophobicContact CB-CB 4.09Å; D667-K670 IonicContact OD2-NZ 2.72Å; D667-K670 PolarHBondContact OD2-NZ 2.98Å; L668-K670 PolarHBondContact O-N 2.98Å
671	V	90.7	Very high	90.9	Very high	10 Å²	10	27.7 Å²	27.7	6%	0.061	15%	0.153	C	C	.	.			trans	-72.3	132	-176.8	-179.3	0	0	0	0	109.8	P623 V625 L668 F673	P623-V671 HydrophobicContact CG-CG2 4.47Å; V625-V671 HydrophobicContact CB-CG1 3.95Å; V625-V671 HydrophobicContact CG2-CG1 3.53Å; L668-V671 HydrophobicContact CB-CG2 4.12Å; L668-V671 HydrophobicContact CD2-CG2 4.23Å; L668-V671 VanDerWaalsContact O-CB 3.27Å; L668-V671 WeakPolarHBondContact O-CB 3.42Å; L668-V671 WeakPolarHBondContact O-CG2 3.44Å; L668-V671 PolarHBondContact O-N 3.04Å; V671-F673 HydrophobicContact CB-CD2 4.3Å; V671-F673 HydrophobicContact CB-CE2 3.75Å; V671-F673 HydrophobicContact CB-CZ 4.04Å; V671-F673 HydrophobicContact CG1-CD1 4.35Å; V671-F673 HydrophobicContact CG1-CD2 4.13Å; V671-F673 HydrophobicContact CG1-CE1 4.06Å; V671-F673 HydrophobicContact CG1-CE2 3.8Å; V671-F673 HydrophobicContact CG1-CG 4.4Å; V671-F673 HydrophobicContact CG1-CZ 3.78Å
672	L	90.9	Very high	90.5	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.01	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	109.1	172	178.5	54.8	0	0	0	109.8	F542 I574 L578 P623 L624 V625	F542-L672 HydrophobicContact CE1-CD1 4.13Å; F542-L672 HydrophobicContact CE1-CD2 4.1Å; F542-L672 HydrophobicContact CZ-CD1 3.61Å; F542-L672 HydrophobicContact CZ-CD2 4.39Å; I574-L672 HydrophobicContact CG2-CD2 4.48Å; L578-L672 HydrophobicContact CD1-CD2 3.65Å; P623-L672 PolarHBondContact O-N 2.85Å; L624-L672 WeakPolarHBondContact CA-O 3.26Å; L624-L672 HydrophobicContact CD1-CD2 3.93Å; L624-L672 HydrophobicContact CD1-CG 4.41Å; L624-L672 HydrophobicContact CG-CB 4.35Å; L624-L672 HydrophobicContact CG-CD2 4.25Å; L624-L672 HydrophobicContact CG-CG 4.22Å; V625-L672 PolarHBondContact N-O 3.27Å
673	F	92.9	Very high	90.5	Very high	8 Å²	8	31.7 Å²	31.7	4%	0.035	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	127.4	177.8	-67.8	-83.3	0	0	0	112	I556 L557 M611 V625 I627 L648 L649 V671	I556-F673 HydrophobicContact CG2-CB 4.14Å; L557-F673 PolarHBondContact N-O 3.06Å; M611-F673 HydrophobicContact CE-CE1 3.48Å; M611-F673 VanDerWaalsContact CE-CE1 3.48Å; M611-F673 HydrophobicContact CE-CZ 3.77Å; V625-F673 HydrophobicContact CB-CD1 4.33Å; V625-F673 HydrophobicContact CG1-CD1 4.4Å; V625-F673 HydrophobicContact CG1-CE1 4.46Å; I627-F673 HydrophobicContact CD1-CD1 4.08Å; L648-F673 HydrophobicContact CD2-CE1 4.02Å; L648-F673 HydrophobicContact CG-CE1 4.03Å; L648-F673 HydrophobicContact CG-CZ 4.09Å; L648-F673 WeakPolarHBondContact O-CZ 3.29Å; L649-F673 HydrophobicContact CD2-CB 3.63Å; L649-F673 HydrophobicContact CD2-CD1 3.5Å; L649-F673 VanDerWaalsContact CD2-CD1 3.5Å; L649-F673 HydrophobicContact CD2-CD2 4.07Å; L649-F673 HydrophobicContact CD2-CE1 4.08Å; L649-F673 HydrophobicContact CD2-CG 3.47Å; L649-F673 VanDerWaalsContact CD2-CG 3.47Å; V671-F673 HydrophobicContact CB-CD2 4.3Å; V671-F673 HydrophobicContact CB-CE2 3.75Å; V671-F673 HydrophobicContact CB-CZ 4.04Å; V671-F673 HydrophobicContact CG1-CD1 4.35Å; V671-F673 HydrophobicContact CG1-CD2 4.13Å; V671-F673 HydrophobicContact CG1-CE1 4.06Å; V671-F673 HydrophobicContact CG1-CE2 3.8Å; V671-F673 HydrophobicContact CG1-CG 4.4Å; V671-F673 HydrophobicContact CG1-CZ 3.78Å
674	I	94.7	Very high	90.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	131	168.1	-58.3	-167.6	0	0	0	108.3	L557 F559 A571 I574 L624 V625 L626 I627	L557-I674 HydrophobicContact CB-CG1 4.38Å; L557-I674 HydrophobicContact CD1-CD1 4.43Å; L557-I674 CarbonylContact O-C 3.59Å; L557-I674 WeakPolarHBondContact O-CA 3.47Å; F559-I674 HydrophobicContact CD2-CG2 3.57Å; F559-I674 HydrophobicContact CE2-CD1 4.26Å; F559-I674 HydrophobicContact CE2-CG2 3.55Å; A571-I674 HydrophobicContact CB-CD1 4.33Å; A571-I674 HydrophobicContact CB-CG2 4.26Å; I574-I674 HydrophobicContact CD1-CD1 3.74Å; I574-I674 HydrophobicContact CG2-CD1 4.37Å; L624-I674 HydrophobicContact CD1-CD1 3.94Å; L624-I674 HydrophobicContact CD2-CB 4.49Å; L624-I674 HydrophobicContact CD2-CD1 4.04Å; L624-I674 HydrophobicContact CD2-CG1 4.13Å; L624-I674 HydrophobicContact CG-CD1 4.29Å; L624-I674 HydrophobicContact CG-CG1 4.46Å; V625-I674 PolarHBondContact O-N 2.71Å; L626-I674 CarbonylContact C-O 3.6Å; L626-I674 WeakPolarHBondContact CA-O 3.33Å; L626-I674 HydrophobicContact CD1-CB 3.87Å; L626-I674 HydrophobicContact CD1-CG2 3.59Å; L626-I674 WeakPolarHBondContact CD1-O 3.28Å; I627-I674 PolarHBondContact N-O 3.14Å
675	C	95.1	Very high	90.3	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	152.8	174.3	-64.4	0	0	0	0	110.8	L557 C558 F559 I627 V630 M691	L557-C675 PolarHBondContact O-N 2.89Å; C558-C675 WeakPolarHBondContact CA-O 3.44Å; C558-C675 HydrophobicContact CB-CB 4.11Å; F559-C675 PolarHBondContact N-O 2.83Å; I627-C675 CarbonylContact O-C 3.5Å; I627-C675 WeakPolarHBondContact O-CA 3.41Å; V630-C675 HydrophobicContact CG1-CB 4.34Å; C675-M691 HydrophobicContact CB-CE 4.41Å; C675-M691 HydrophobicContact CB-SD 4.16Å
676	T	95.2	Very high	90.1	Very high	3 Å²	3	36.3 Å²	36.3	2%	0.018	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	138.9	165.6	79.4	0	0	0	0	111	F559 K567 L626 I627 D628 E629 V630	F559-T676 WeakPolarHBondContact O-CA 3.31Å; K567-T676 HydrophobicContact CB-CG2 4.11Å; L626-T676 HydrophobicContact CD1-CG2 3.67Å; L626-T676 HydrophobicContact CD2-CG2 4.5Å; L626-T676 HydrophobicContact CG-CG2 4.36Å; I627-T676 PolarHBondContact O-N 3.3Å; D628-T676 WeakPolarHBondContact CA-OG1 3.48Å; D628-T676 PolarHBondContact OD1-OG1 3.36Å; E629-T676 WeakPolarHBondContact CA-O 3.35Å; E629-T676 PolarHBondContact N-O 3.33Å; E629-T676 PolarHBondContact N-OG1 2.97Å; E629-T676 VanDerWaalsContact N-OG1 3.12Å; V630-T676 WeakPolarHBondContact CG1-O 3.46Å; V630-T676 PolarHBondContact N-O 3.44Å
677	A	93	Very high	90	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.201	C	C	.	.			trans	-130	161.2	174.4	0	0	0	0	0	109.7	F559 Y560 K567 V630 D631 I683	F559-A677 PolarHBondContact O-N 3.41Å; Y560-A677 WeakPolarHBondContact CA-O 3.41Å; K567-A677 PolarHBondContact NZ-O 3.03Å; V630-A677 HydrophobicContact CG1-CB 4Å; D631-A677 HydrophobicContact CB-CB 3.99Å; A677-I683 HydrophobicContact CB-CD1 3.64Å; A677-I683 HydrophobicContact CB-CG1 4.32Å
678	N	90.1	Very high	90	Very high	35 Å²	35	38.4 Å²	38.4	19%	0.187	21%	0.206	C	C	.	.	S	Bend	trans	-103.2	-41.2	166.1	-49.9	-82.5	0	0	0	111.2	G561 K567 D631	G561-N678 WeakPolarHBondContact O-CA 3.28Å; K567-N678 PolarHBondContact NZ-OD1 2.85Å; D631-N678 PolarHBondContact OD1-N 3.02Å; D631-N678 PolarHBondContact OD1-ND2 3.1Å; D631-N678 WeakPolarHBondContact OD2-CA 3.33Å; D631-N678 WeakPolarHBondContact OD2-CB 3.44Å; D631-N678 PolarHBondContact OD2-N 3.37Å; D631-N678 PolarHBondContact OD2-ND2 3.01Å
679	V	86.3	Confident	89.9	Confident	73 Å²	73	44.6 Å²	44.6	44%	0.442	24%	0.239	S	C	.	.			trans	-119.3	145.3	175.4	-176	0	0	0	0	109.2	D681	V679-D681 HydrophobicContact CG1-CB 4.34Å
680	T	87.9	Confident	89.8	Confident	24 Å²	24	48.5 Å²	48.5	15%	0.147	25%	0.249	C	C	.	.	S	Bend	trans	-82.3	-21.1	-178.4	42.5	0	0	0	0	114.1	Y560 R688 M693	Y560-T680 HydrophobicContact CD1-CG2 4.12Å; Y560-T680 HydrophobicContact CD2-CG2 3.5Å; Y560-T680 HydrophobicContact CE1-CG2 4.32Å; Y560-T680 HydrophobicContact CE2-CG2 3.75Å; Y560-T680 HydrophobicContact CG-CG2 3.69Å; T680-R688 PolarHBondContact O-NH1 2.78Å; T680-R688 VanDerWaalsContact O-NH1 3.08Å; T680-M693 HydrophobicContact CG2-CE 3.83Å
681	D	86.1	Confident	89.9	Confident	118 Å²	118	46.4 Å²	46.4	63%	0.631	24%	0.241	S	C	*	.	S	Bend	trans	-99.3	-8.1	-159.7	-41.6	-43.7	0	0	0	112.6	V679 R688	V679-D681 HydrophobicContact CG1-CB 4.34Å; D681-R688 IonicContact OD1-NH1 2.72Å; D681-R688 PolarHBondContact OD1-NH1 2.68Å; D681-R688 VanDerWaalsContact OD1-NH1 3.16Å
682	T	87	Confident	89.9	Confident	87 Å²	87	47.5 Å²	47.5	53%	0.534	25%	0.245	S	C	.	.	S	Bend	trans	-93.5	-6.2	167	58.8	0	0	0	0	112.8	D631	D631-T682 WeakPolarHBondContact O-CB 3.45Å; D631-T682 PolarHBondContact O-OG1 2.79Å
683	I	90.5	Very high	89.9	Confident	10 Å²	10	50 Å²	50	5%	0.051	26%	0.258	C	S	.	.	S	Bend	trans	-75.5	131.4	175	-51.1	176.1	0	0	0	108.4	V630 D631 A677 E685 L687 R688 M693	V630-I683 HydrophobicContact CG1-CD1 4.24Å; V630-I683 HydrophobicContact CG1-CG1 4.34Å; D631-I683 HydrophobicContact CB-CG1 4.45Å; A677-I683 HydrophobicContact CB-CD1 3.64Å; A677-I683 HydrophobicContact CB-CG1 4.32Å; I683-E685 PolarHBondContact O-N 2.99Å; I683-L687 HydrophobicContact CG2-CB 4.37Å; I683-R688 HydrophobicContact CG2-CB 4.38Å; I683-M693 HydrophobicContact CD1-CE 3.81Å
684	P	88.9	Confident	89.8	Confident	37 Å²	37	50.4 Å²	50.4	24%	0.24	26%	0.26	C	S	.	.			trans	-56	129.8	173.8	-26.4	35.7	0	0	0	112.2	L687 R688	P684-L687 HydrophobicContact CB-CD1 4.23Å; P684-L687 HydrophobicContact CG-CD1 4.12Å; P684-L687 WeakPolarHBondContact O-CA 3.33Å; P684-L687 WeakPolarHBondContact O-CB 3.47Å; P684-L687 PolarHBondContact O-N 3.39Å; P684-R688 PolarHBondContact O-N 2.96Å
685	E	89.3	Confident	89.4	Confident	144 Å²	144	54.7 Å²	54.7	67%	0.673	28%	0.283	S	S	*	.	H	α-helix	trans	-53.7	-42.9	-176.8	-166.3	165.6	-140.3	0	0	113.6	I683 L687 R688 D689	I683-E685 PolarHBondContact O-N 2.99Å; E685-L687 PolarHBondContact O-N 3.46Å; E685-L687 VanDerWaalsContact O-N 3.15Å; E685-R688 WeakPolarHBondContact O-CB 3.09Å; E685-R688 PolarHBondContact O-N 2.89Å; E685-D689 PolarHBondContact O-N 2.97Å
686	P	88.8	Confident	89.1	Confident	75 Å²	75	54.8 Å²	54.8	49%	0.487	28%	0.283	S	S	.	.	H	α-helix	trans	-64.8	-19.9	176	-22.4	35	0	0	0	115.1	L646 R690	L646-P686 HydrophobicContact CD1-CB 4.16Å; L646-P686 HydrophobicContact CD2-CB 4.07Å; L646-P686 WeakPolarHBondContact CD2-O 3.38Å; P686-R690 VanDerWaalsContact O-CD 3.28Å; P686-R690 WeakPolarHBondContact O-CD 3.25Å; P686-R690 WeakPolarHBondContact O-CG 3.46Å
687	L	88.3	Confident	88.5	Confident	1 Å²	1	56.4 Å²	56.4	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-84.8	-41.4	171.2	-77.6	169.6	0	0	0	110.7	I633 L645 L646 L649 I683 P684 E685 D689 R690 M691	I633-L687 HydrophobicContact CD1-CD1 4.45Å; L645-L687 HydrophobicContact CB-CD1 4.36Å; L645-L687 HydrophobicContact CB-CD2 4.29Å; L646-L687 HydrophobicContact CD2-CD2 3.62Å; L646-L687 HydrophobicContact CD2-CG 3.83Å; L646-L687 HydrophobicContact CG-CD2 3.83Å; L646-L687 HydrophobicContact CG-CG 3.99Å; L649-L687 HydrophobicContact CD1-CD2 3.78Å; I683-L687 HydrophobicContact CG2-CB 4.37Å; P684-L687 HydrophobicContact CB-CD1 4.23Å; P684-L687 HydrophobicContact CG-CD1 4.12Å; P684-L687 WeakPolarHBondContact O-CA 3.33Å; P684-L687 WeakPolarHBondContact O-CB 3.47Å; P684-L687 PolarHBondContact O-N 3.39Å; E685-L687 PolarHBondContact O-N 3.46Å; E685-L687 VanDerWaalsContact O-N 3.15Å; L687-D689 PolarHBondContact O-N 2.9Å; L687-R690 PolarHBondContact O-N 2.93Å; L687-M691 HydrophobicContact CB-CE 3.99Å; L687-M691 HydrophobicContact CD2-CE 4.05Å; L687-M691 VanDerWaalsContact O-CG 3.29Å; L687-M691 WeakPolarHBondContact O-CG 3.44Å; L687-M691 PolarHBondContact O-N 3Å
688	R	89.7	Confident	87.9	Confident	95 Å²	95	56.9 Å²	56.9	36%	0.358	30%	0.3	S	S	.	.	H	α-helix	trans	-59.1	-45	-179.8	-178.8	175.2	171.3	155.9	-6.2	112	T680 D681 I683 P684 E685 R690 M691	T680-R688 PolarHBondContact O-NH1 2.78Å; T680-R688 VanDerWaalsContact O-NH1 3.08Å; D681-R688 IonicContact OD1-NH1 2.72Å; D681-R688 PolarHBondContact OD1-NH1 2.68Å; D681-R688 VanDerWaalsContact OD1-NH1 3.16Å; I683-R688 HydrophobicContact CG2-CB 4.38Å; P684-R688 PolarHBondContact O-N 2.96Å; E685-R688 WeakPolarHBondContact O-CB 3.09Å; E685-R688 PolarHBondContact O-N 2.89Å; R688-R690 PolarHBondContact O-N 3.27Å; R688-M691 PolarHBondContact O-N 3.02Å; R688-M691 VanDerWaalsContact O-N 3.11Å
689	D	87.5	Confident	87.6	Confident	130 Å²	130	56.4 Å²	56.4	70%	0.695	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-23.2	-179	-72	-6.1	0	0	0	113.7	E685 L687	E685-D689 PolarHBondContact O-N 2.97Å; L687-D689 PolarHBondContact O-N 2.9Å
690	R	86.3	Confident	87.5	Confident	110 Å²	110	53.8 Å²	53.8	42%	0.415	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-8.6	177.8	-63.1	174.4	178	-106.7	22.9	112.8	I556 D650 P686 L687 R688	I556-R690 HydrophobicContact CD1-CB 4.34Å; D650-R690 IonicContact OD1-CZ 3Å; D650-R690 IonicContact OD1-NH1 3.6Å; D650-R690 PolarHBondContact OD1-NH1 2.91Å; D650-R690 IonicContact OD2-CZ 3.38Å; D650-R690 VanDerWaalsContact OD2-CZ 3.23Å; D650-R690 IonicContact OD2-NH1 2.68Å; D650-R690 PolarHBondContact OD2-NH1 2.81Å; D650-R690 IonicContact OD2-NH2 3.18Å; D650-R690 PolarHBondContact OD2-NH2 3.1Å; P686-R690 VanDerWaalsContact O-CD 3.28Å; P686-R690 WeakPolarHBondContact O-CD 3.25Å; P686-R690 WeakPolarHBondContact O-CG 3.46Å; L687-R690 PolarHBondContact O-N 2.93Å; R688-R690 PolarHBondContact O-N 3.27Å
691	M	89.8	Confident	87.2	Confident	12 Å²	12	55.1 Å²	55.1	6%	0.059	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	136.1	-175.6	-72.4	176.6	-166.2	0	0	112.2	I556 C558 L649 C675 L687 R688 M693	I556-M691 HydrophobicContact CB-CG 4.15Å; I556-M691 HydrophobicContact CD1-CG 4.46Å; I556-M691 HydrophobicContact CG2-CG 3.9Å; C558-M691 HydrophobicContact CB-CB 3.88Å; C558-M691 HydrophobicContact CB-CG 4.21Å; C558-M691 HydrophobicContact CB-SD 3.83Å; L649-M691 HydrophobicContact CD1-CE 3.79Å; C675-M691 HydrophobicContact CB-CE 4.41Å; C675-M691 HydrophobicContact CB-SD 4.16Å; L687-M691 HydrophobicContact CB-CE 3.99Å; L687-M691 HydrophobicContact CD2-CE 4.05Å; L687-M691 VanDerWaalsContact O-CG 3.29Å; L687-M691 WeakPolarHBondContact O-CG 3.44Å; L687-M691 PolarHBondContact O-N 3Å; R688-M691 PolarHBondContact O-N 3.02Å; R688-M691 VanDerWaalsContact O-N 3.11Å; M691-M693 HydrophobicContact CB-SD 3.9Å; M691-M693 PolarHBondContact O-N 3.21Å
692	E	89.8	Confident	87.1	Confident	34 Å²	34	55.2 Å²	55.2	16%	0.159	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	104	167.2	-166.5	168.2	111.4	0	0	109.6	R538 K555 I556 L557 C558 I694	R538-E692 IonicContact CZ-OE1 2.82Å; R538-E692 IonicContact NE-OE1 2.79Å; R538-E692 PolarHBondContact NE-OE1 3.43Å; R538-E692 IonicContact NH2-OE1 2.8Å; R538-E692 PolarHBondContact NH2-OE1 3.26Å; R538-E692 IonicContact NH2-OE2 2.7Å; R538-E692 PolarHBondContact NH2-OE2 3.28Å; K555-E692 IonicContact NZ-OE2 2.68Å; K555-E692 PolarHBondContact NZ-OE2 3.3Å; I556-E692 PolarHBondContact O-N 3.12Å; L557-E692 HydrophobicContact CD2-CB 4.25Å; C558-E692 PolarHBondContact N-O 2.61Å; E692-I694 PolarHBondContact O-N 2.67Å
693	M	90.1	Very high	87.1	Confident	55 Å²	55	52.7 Å²	52.7	27%	0.271	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	116	-173.8	-58.9	-59.4	-67.9	0	0	111.6	C558 Y560 T680 I683 M691	C558-M693 HydrophobicContact CB-CE 4.34Å; C558-M693 HydrophobicContact CB-SD 3.6Å; Y560-M693 HydrophobicContact CD1-CB 4.25Å; Y560-M693 HydrophobicContact CD1-CE 3.95Å; Y560-M693 HydrophobicContact CE1-CB 4.01Å; Y560-M693 HydrophobicContact CG-CE 4.4Å; T680-M693 HydrophobicContact CG2-CE 3.83Å; I683-M693 HydrophobicContact CD1-CE 3.81Å; M691-M693 HydrophobicContact CB-SD 3.9Å; M691-M693 PolarHBondContact O-N 3.21Å
694	I	91.8	Very high	87.1	Confident	15 Å²	15	52.8 Å²	52.8	8%	0.077	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	119.6	-178.9	-57.8	174.9	0	0	0	109.7	V535 R538 L557 C558 F559 Y560 E692	V535-I694 HydrophobicContact CG1-CG2 4.04Å; V535-I694 HydrophobicContact CG2-CG2 4.32Å; R538-I694 HydrophobicContact CB-CD1 4.37Å; R538-I694 HydrophobicContact CG-CD1 3.76Å; R538-I694 HydrophobicContact CG-CG1 4.17Å; L557-I694 HydrophobicContact CD2-CD1 4.26Å; C558-I694 PolarHBondContact O-N 2.97Å; F559-I694 WeakPolarHBondContact CA-O 3.41Å; F559-I694 HydrophobicContact CD1-CB 3.86Å; F559-I694 HydrophobicContact CD1-CD1 4.46Å; F559-I694 HydrophobicContact CD1-CG2 3.94Å; F559-I694 HydrophobicContact CE1-CB 4.08Å; F559-I694 HydrophobicContact CE1-CD1 3.88Å; F559-I694 HydrophobicContact CE1-CG2 3.98Å; Y560-I694 WeakPolarHBondContact CD1-O 3.25Å; Y560-I694 PolarHBondContact N-O 2.76Å; E692-I694 PolarHBondContact O-N 2.67Å
695	N	87	Confident	87.3	Confident	90 Å²	90	53.2 Å²	53.2	48%	0.481	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	126.7	179.6	-170	-4.1	0	0	0	111.1	Y560	Y560-N695 HydrophobicContact CE1-CB 3.87Å; Y560-N695 HydrophobicContact CE2-CB 4.07Å
696	V	88.1	Confident	87.4	Confident	3 Å²	3	47 Å²	47	2%	0.018	25%	0.245	C	C	.	.			trans	-112.3	95.2	170.8	-171.3	0	0	0	0	108.7	M532 V535 F559 Y560 V565 K567	M532-V696 HydrophobicContact CE-CG1 3.72Å; M532-V696 HydrophobicContact SD-CG1 4.49Å; V535-V696 HydrophobicContact CG1-CG2 4.45Å; V535-V696 HydrophobicContact CG2-CG2 4.25Å; F559-V696 HydrophobicContact CB-CG2 4.21Å; F559-V696 HydrophobicContact CD1-CG2 4.05Å; F559-V696 HydrophobicContact CG-CG2 4.47Å; Y560-V696 PolarHBondContact O-N 2.98Å; V565-V696 HydrophobicContact CB-CG1 3.97Å; V565-V696 HydrophobicContact CG2-CB 3.91Å; V565-V696 HydrophobicContact CG2-CG1 3.5Å; V565-V696 VanDerWaalsContact CG2-CG1 3.5Å; K567-V696 HydrophobicContact CG-CB 4.27Å; K567-V696 HydrophobicContact CG-CG2 4.23Å
697	S	82.1	Confident	87.6	Confident	36 Å²	36	44 Å²	44	25%	0.252	23%	0.225	S	C	.	.	P	Polyproline II helix	trans	-67.2	163	-177.5	64.6	0	0	0	0	113.4	K933	S697-K933 PolarHBondContact OG-NZ 3.08Å
698	G	81.1	Confident	87.9	Confident	11 Å²	11	43.9 Å²	43.9	11%	0.113	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-64.6	163.3	169.7	0	0	0	0	0	113.6	S745	G698-S745 WeakPolarHBondContact CA-O 3.17Å
699	Y	84.2	Confident	88.1	Confident	25 Å²	25	43.3 Å²	43.3	10%	0.098	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-97.8	141.3	-176.8	-62.9	-66.5	0	0	0	112.9	M532 V565 E703 K704 I707 S745 V747	M532-Y699 HydrophobicContact CG-CE1 4.19Å; M532-Y699 HydrophobicContact SD-CE1 4.5Å; M532-Y699 PolarHBondContact SD-OH 2.99Å; V565-Y699 HydrophobicContact CB-CE2 4.22Å; V565-Y699 PolarHBondContact O-OH 2.82Å; Y699-E703 WeakPolarHBondContact CA-OE2 3.48Å; Y699-E703 HydrophobicContact CD1-CB 4.29Å; Y699-K704 WeakPolarHBondContact O-CE 3.41Å; Y699-I707 HydrophobicContact CD1-CD1 3.58Å; Y699-I707 HydrophobicContact CD2-CD1 3.99Å; Y699-I707 HydrophobicContact CE1-CD1 3.46Å; Y699-I707 VanDerWaalsContact CE1-CD1 3.46Å; Y699-I707 HydrophobicContact CE2-CD1 3.89Å; Y699-I707 HydrophobicContact CG-CD1 3.84Å; Y699-S745 PolarHBondContact N-O 2.98Å; Y699-V747 HydrophobicContact CD2-CG1 4.07Å
700	V	82.5	Confident	88.3	Confident	17 Å²	17	44 Å²	44	10%	0.103	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-76.4	154.6	171.4	-174.7	0	0	0	0	110.4	Q702 E703 K704 I937 Y963 I964	V700-Q702 PolarHBondContact O-N 2.71Å; V700-Q702 VanDerWaalsContact O-N 3.1Å; V700-E703 HydrophobicContact CB-CG 4.32Å; V700-E703 PolarHBondContact N-OE2 2.92Å; V700-E703 WeakPolarHBondContact O-CB 3.39Å; V700-E703 PolarHBondContact O-N 3.37Å; V700-K704 WeakPolarHBondContact O-CG 3.37Å; V700-K704 PolarHBondContact O-N 2.91Å; V700-I937 HydrophobicContact CG2-CD1 3.76Å; V700-I937 HydrophobicContact CG2-CG1 4.04Å; V700-Y963 HydrophobicContact CB-CE2 4.06Å; V700-Y963 HydrophobicContact CG1-CE2 4.09Å; V700-Y963 HydrophobicContact CG2-CE2 3.97Å; V700-I964 HydrophobicContact CG2-CD1 3.87Å; V700-I964 HydrophobicContact CG2-CG1 4.36Å
701	A	82.6	Confident	88.5	Confident	53 Å²	53	40.6 Å²	40.6	44%	0.438	21%	0.206	S	C	.	.	H	α-helix	trans	-54.7	-32.9	-174.8	0	0	0	0	0	114.8	L705 I738	A701-L705 PolarHBondContact O-N 3.03Å; A701-L705 VanDerWaalsContact O-N 3.14Å; A701-I738 HydrophobicContact CB-CG2 4.07Å
702	Q	84	Confident	88.7	Confident	120 Å²	120	40.6 Å²	40.6	56%	0.561	21%	0.206	S	C	*	.	H	α-helix	trans	-70.4	-42.1	174.3	-72	167.5	-42.9	0	0	112.2	V700 K704 L705 A706	V700-Q702 PolarHBondContact O-N 2.71Å; V700-Q702 VanDerWaalsContact O-N 3.1Å; Q702-K704 VanDerWaalsContact C-N 3.35Å; Q702-L705 WeakPolarHBondContact O-CB 3.33Å; Q702-L705 PolarHBondContact O-N 2.7Å; Q702-A706 PolarHBondContact O-N 2.89Å; Q702-A706 VanDerWaalsContact O-N 3.1Å
703	E	87.1	Confident	89	Confident	34 Å²	34	39.7 Å²	39.7	16%	0.159	20%	0.203	C	C	.	.	H	α-helix	trans	-64.1	-41.6	174.9	-56.2	175.5	139.9	0	0	110.8	Y530 Y699 V700 L705 A706 I707 Y963	Y530-E703 HydrophobicContact CD1-CB 4.5Å; Y530-E703 HydrophobicContact CE1-CB 4.25Å; Y530-E703 HydrophobicContact CE1-CG 4.29Å; Y699-E703 WeakPolarHBondContact CA-OE2 3.48Å; Y699-E703 HydrophobicContact CD1-CB 4.29Å; V700-E703 HydrophobicContact CB-CG 4.32Å; V700-E703 PolarHBondContact N-OE2 2.92Å; V700-E703 WeakPolarHBondContact O-CB 3.39Å; V700-E703 PolarHBondContact O-N 3.37Å; E703-L705 VanDerWaalsContact C-N 3.29Å; E703-L705 PolarHBondContact O-N 2.95Å; E703-A706 PolarHBondContact O-N 3.19Å; E703-I707 WeakPolarHBondContact O-CB 3.44Å; E703-I707 WeakPolarHBondContact O-CD1 3.26Å; E703-I707 WeakPolarHBondContact O-CG1 3.33Å; E703-I707 PolarHBondContact O-N 2.87Å; E703-Y963 PolarHBondContact OE1-OH 2.92Å
704	K	90.1	Very high	89.1	Confident	12 Å²	12	39.6 Å²	39.6	5%	0.052	21%	0.207	C	C	.	.	H	α-helix	trans	-61.1	-35.8	175	-65.7	-167.3	-170.5	-161.8	0	113	Y699 V700 Q702 A708 I738 E744 G746 V747 L750	Y699-K704 WeakPolarHBondContact O-CE 3.41Å; V700-K704 WeakPolarHBondContact O-CG 3.37Å; V700-K704 PolarHBondContact O-N 2.91Å; Q702-K704 VanDerWaalsContact C-N 3.35Å; K704-A708 VanDerWaalsContact O-CB 3.24Å; K704-A708 WeakPolarHBondContact O-CB 3.49Å; K704-A708 PolarHBondContact O-N 2.64Å; K704-I738 HydrophobicContact CB-CD1 3.86Å; K704-I738 HydrophobicContact CB-CG1 4.36Å; K704-I738 HydrophobicContact CD-CG2 4.35Å; K704-E744 PolarHBondContact NZ-O 3.06Å; K704-G746 VanDerWaalsContact CE-O 3.25Å; K704-G746 WeakPolarHBondContact CE-O 3.49Å; K704-G746 PolarHBondContact NZ-O 2.95Å; K704-V747 HydrophobicContact CB-CG1 4.25Å; K704-V747 HydrophobicContact CD-CG1 4.17Å; K704-V747 HydrophobicContact CG-CG1 3.85Å; K704-L750 HydrophobicContact CB-CD2 4.17Å
705	L	92.2	Very high	89.1	Confident	45 Å²	45	43.6 Å²	43.6	24%	0.236	23%	0.225	C	C	.	.	H	α-helix	trans	-65.4	-51.6	174.9	-178.2	62.6	0	0	0	110.4	A701 Q702 E703 I707 A708 E709 L734 I738	A701-L705 PolarHBondContact O-N 3.03Å; A701-L705 VanDerWaalsContact O-N 3.14Å; Q702-L705 WeakPolarHBondContact O-CB 3.33Å; Q702-L705 PolarHBondContact O-N 2.7Å; E703-L705 VanDerWaalsContact C-N 3.29Å; E703-L705 PolarHBondContact O-N 2.95Å; L705-I707 VanDerWaalsContact C-N 3.32Å; L705-I707 PolarHBondContact O-N 3.45Å; L705-A708 WeakPolarHBondContact O-CB 3.48Å; L705-A708 PolarHBondContact O-N 2.84Å; L705-A708 VanDerWaalsContact O-N 3.08Å; L705-E709 HydrophobicContact CD1-CG 4.45Å; L705-E709 WeakPolarHBondContact CD1-OE1 3.31Å; L705-E709 WeakPolarHBondContact CG-OE1 3.42Å; L705-E709 WeakPolarHBondContact O-CG 3.47Å; L705-E709 PolarHBondContact O-N 2.79Å; L705-L734 HydrophobicContact CD1-CB 3.46Å; L705-L734 VanDerWaalsContact CD1-CB 3.46Å; L705-L734 HydrophobicContact CD1-CD1 4.13Å; L705-L734 HydrophobicContact CD1-CG 4.45Å; L705-I738 HydrophobicContact CB-CD1 4.13Å
706	A	92.3	Very high	89.5	Confident	14 Å²	14	39.4 Å²	39.4	12%	0.116	20%	0.203	C	C	.	.	H	α-helix	trans	-59.5	-39.2	176.9	0	0	0	0	0	113	Y530 Q702 E703 R710	Y530-A706 HydrophobicContact CD1-CB 4.12Å; Y530-A706 HydrophobicContact CD2-CB 4.3Å; Y530-A706 HydrophobicContact CE1-CB 3.89Å; Y530-A706 HydrophobicContact CE2-CB 4.05Å; Y530-A706 HydrophobicContact CG-CB 4.32Å; Q702-A706 PolarHBondContact O-N 2.89Å; Q702-A706 VanDerWaalsContact O-N 3.1Å; E703-A706 PolarHBondContact O-N 3.19Å; A706-R710 VanDerWaalsContact O-CB 3.32Å; A706-R710 WeakPolarHBondContact O-CB 3.32Å; A706-R710 VanDerWaalsContact O-CG 3.3Å; A706-R710 WeakPolarHBondContact O-CG 3.23Å; A706-R710 PolarHBondContact O-N 2.99Å
707	I	93.3	Very high	89.7	Confident	11 Å²	11	40.2 Å²	40.2	6%	0.056	21%	0.206	C	C	.	.	H	α-helix	trans	-67.3	-39	174.9	-70.8	163.6	0	0	0	111.3	Y530 Y699 E703 L705 Y711 L712 V747	Y530-I707 HydrophobicContact CD1-CG1 4.29Å; Y699-I707 HydrophobicContact CD1-CD1 3.58Å; Y699-I707 HydrophobicContact CD2-CD1 3.99Å; Y699-I707 HydrophobicContact CE1-CD1 3.46Å; Y699-I707 VanDerWaalsContact CE1-CD1 3.46Å; Y699-I707 HydrophobicContact CE2-CD1 3.89Å; Y699-I707 HydrophobicContact CG-CD1 3.84Å; E703-I707 WeakPolarHBondContact O-CB 3.44Å; E703-I707 WeakPolarHBondContact O-CD1 3.26Å; E703-I707 WeakPolarHBondContact O-CG1 3.33Å; E703-I707 PolarHBondContact O-N 2.87Å; L705-I707 VanDerWaalsContact C-N 3.32Å; L705-I707 PolarHBondContact O-N 3.45Å; I707-Y711 HydrophobicContact CG2-CD2 4.34Å; I707-Y711 WeakPolarHBondContact O-CB 3.06Å; I707-Y711 PolarHBondContact O-N 3.3Å; I707-Y711 VanDerWaalsContact O-N 3.08Å; I707-L712 HydrophobicContact CG2-CD1 4.42Å; I707-L712 HydrophobicContact CG2-CG 4.33Å; I707-L712 PolarHBondContact O-N 2.91Å; I707-V747 HydrophobicContact CG2-CG1 4.31Å; I707-V747 HydrophobicContact CG2-CG2 4.29Å
708	A	94.6	Very high	90.2	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.223	C	C	.	.	I	π-helix	trans	-65.3	-45.8	177.3	0	0	0	0	0	111.7	K704 L705 L712 V713 L734 L750 I754	K704-A708 VanDerWaalsContact O-CB 3.24Å; K704-A708 WeakPolarHBondContact O-CB 3.49Å; K704-A708 PolarHBondContact O-N 2.64Å; L705-A708 WeakPolarHBondContact O-CB 3.48Å; L705-A708 PolarHBondContact O-N 2.84Å; L705-A708 VanDerWaalsContact O-N 3.08Å; A708-L712 HydrophobicContact CB-CD1 4.4Å; A708-L712 PolarHBondContact O-N 3.25Å; A708-V713 WeakPolarHBondContact O-CB 3.45Å; A708-V713 WeakPolarHBondContact O-CG2 3.46Å; A708-V713 PolarHBondContact O-N 2.85Å; A708-L734 HydrophobicContact CB-CD1 4.24Å; A708-L734 HydrophobicContact CB-CD2 4.39Å; A708-L750 HydrophobicContact CB-CD2 4.12Å; A708-I754 HydrophobicContact CB-CD1 3.99Å
709	E	92.9	Very high	90.7	Very high	83 Å²	83	49.3 Å²	49.3	39%	0.388	25%	0.252	S	S	.	.	I	π-helix	trans	-66.8	-51.4	179.2	-69.6	169	-178.1	0	0	112.3	L705 P714 P731 L734	L705-E709 HydrophobicContact CD1-CG 4.45Å; L705-E709 WeakPolarHBondContact CD1-OE1 3.31Å; L705-E709 WeakPolarHBondContact CG-OE1 3.42Å; L705-E709 WeakPolarHBondContact O-CG 3.47Å; L705-E709 PolarHBondContact O-N 2.79Å; E709-P714 WeakPolarHBondContact O-CD 3.41Å; E709-P731 WeakPolarHBondContact OE1-CB 3.42Å; E709-L734 HydrophobicContact CG-CD1 3.68Å
710	R	91.8	Very high	91.1	Very high	144 Å²	144	49.8 Å²	49.8	54%	0.543	26%	0.258	S	S	.	.	I	π-helix	trans	-72.8	-36.5	-174.7	-66.4	-179.4	-174.9	-157.3	4	113.6	A706	A706-R710 VanDerWaalsContact O-CB 3.32Å; A706-R710 WeakPolarHBondContact O-CB 3.32Å; A706-R710 VanDerWaalsContact O-CG 3.3Å; A706-R710 WeakPolarHBondContact O-CG 3.23Å; A706-R710 PolarHBondContact O-N 2.99Å
711	Y	92.2	Very high	91.5	Very high	38 Å²	38	52.3 Å²	52.3	15%	0.149	29%	0.288	C	S	.	.	I	π-helix	trans	-120.7	-55.1	-169	-52.2	-60.8	0	0	0	113.6	E527 I707 Q715	E527-Y711 VanDerWaalsContact O-CE1 3.26Å; E527-Y711 WeakPolarHBondContact O-CE1 3.46Å; E527-Y711 PolarHBondContact O-OH 3.34Å; E527-Y711 VanDerWaalsContact O-OH 3.11Å; I707-Y711 HydrophobicContact CG2-CD2 4.34Å; I707-Y711 WeakPolarHBondContact O-CB 3.06Å; I707-Y711 PolarHBondContact O-N 3.3Å; I707-Y711 VanDerWaalsContact O-N 3.08Å; Y711-Q715 VanDerWaalsContact O-CB 3.26Å; Y711-Q715 WeakPolarHBondContact O-CB 3.42Å; Y711-Q715 WeakPolarHBondContact O-CG 3.36Å; Y711-Q715 PolarHBondContact O-N 2.95Å; Y711-Q715 VanDerWaalsContact O-N 3.08Å
712	L	93.7	Very high	91.9	Very high	12 Å²	12	50.6 Å²	50.6	6%	0.063	27%	0.271	C	S	.	.	I	π-helix	trans	-69.4	-41.5	-170	-54	179.5	0	0	0	112	I707 A708 L716 V747 L750 Q751 I754	I707-L712 HydrophobicContact CG2-CD1 4.42Å; I707-L712 HydrophobicContact CG2-CG 4.33Å; I707-L712 PolarHBondContact O-N 2.91Å; A708-L712 HydrophobicContact CB-CD1 4.4Å; A708-L712 PolarHBondContact O-N 3.25Å; L712-L716 HydrophobicContact CB-CD1 4.34Å; L712-L716 WeakPolarHBondContact O-CB 3.37Å; L712-L716 WeakPolarHBondContact O-CD1 3.5Å; L712-L716 WeakPolarHBondContact O-CG 3.31Å; L712-L716 PolarHBondContact O-N 2.72Å; L712-V747 HydrophobicContact CD1-CB 4.06Å; L712-V747 HydrophobicContact CD1-CG2 4.17Å; L712-L750 HydrophobicContact CD1-CD2 4.33Å; L712-L750 HydrophobicContact CD1-CG 4.34Å; L712-Q751 HydrophobicContact CD1-CB 4.45Å; L712-Q751 HydrophobicContact CD2-CG 4.37Å; L712-I754 HydrophobicContact CB-CD1 4.21Å; L712-I754 HydrophobicContact CD1-CD1 4.36Å
713	V	94.4	Very high	92.1	Very high	15 Å²	15	48 Å²	48	9%	0.091	26%	0.263	C	S	.	.	H	α-helix	trans	-62.4	-53.3	179	159.1	0	0	0	0	111.5	A708 Q715 R717 L734 I754 F758	A708-V713 WeakPolarHBondContact O-CB 3.45Å; A708-V713 WeakPolarHBondContact O-CG2 3.46Å; A708-V713 PolarHBondContact O-N 2.85Å; V713-Q715 PolarHBondContact O-N 2.89Å; V713-R717 WeakPolarHBondContact O-CB 3.39Å; V713-R717 PolarHBondContact O-N 3.21Å; V713-L734 HydrophobicContact CG2-CD1 4.37Å; V713-L734 HydrophobicContact CG2-CD2 4.37Å; V713-I754 HydrophobicContact CG2-CG2 4.19Å; V713-F758 HydrophobicContact CG1-CZ 4.13Å; V713-F758 HydrophobicContact CG2-CE2 4.5Å; V713-F758 HydrophobicContact CG2-CZ 4.49Å
714	P	93.4	Very high	92.1	Very high	54 Å²	54	52.7 Å²	52.7	35%	0.351	29%	0.285	S	S	.	.	H	α-helix	trans	-60.8	-43	176	-27.1	36.4	0	0	0	114.1	E709 T718	E709-P714 WeakPolarHBondContact O-CD 3.41Å; P714-T718 WeakPolarHBondContact O-CG2 3.32Å; P714-T718 PolarHBondContact O-N 3.15Å; P714-T718 VanDerWaalsContact O-N 3.12Å; P714-T718 PolarHBondContact O-OG1 3.27Å
715	Q	92.4	Very high	91.9	Very high	98 Å²	98	60 Å²	60	46%	0.458	32%	0.32	S	S	.	.	H	α-helix	trans	-66.5	-43.6	-179.6	-69.9	172.5	18.2	0	0	112	Y711 V713 T718 L719	Y711-Q715 VanDerWaalsContact O-CB 3.26Å; Y711-Q715 WeakPolarHBondContact O-CB 3.42Å; Y711-Q715 WeakPolarHBondContact O-CG 3.36Å; Y711-Q715 PolarHBondContact O-N 2.95Å; Y711-Q715 VanDerWaalsContact O-N 3.08Å; V713-Q715 PolarHBondContact O-N 2.89Å; Q715-T718 PolarHBondContact O-OG1 2.87Å; Q715-L719 WeakPolarHBondContact O-CB 3.4Å; Q715-L719 WeakPolarHBondContact O-CD1 3.29Å; Q715-L719 WeakPolarHBondContact O-CG 3.49Å; Q715-L719 PolarHBondContact O-N 3.4Å
716	L	94.3	Very high	91.6	Very high	3 Å²	3	62.4 Å²	62.4	2%	0.016	33%	0.328	C	S	.	.	H	α-helix	trans	-74.8	-35.7	179.9	-65.4	171.2	0	0	0	112.3	L712 T718 L719 C720 Q751 I754 E755 F758	L712-L716 HydrophobicContact CB-CD1 4.34Å; L712-L716 WeakPolarHBondContact O-CB 3.37Å; L712-L716 WeakPolarHBondContact O-CD1 3.5Å; L712-L716 WeakPolarHBondContact O-CG 3.31Å; L712-L716 PolarHBondContact O-N 2.72Å; L716-T718 PolarHBondContact O-N 3.44Å; L716-L719 HydrophobicContact CD2-CD1 4.3Å; L716-L719 PolarHBondContact O-N 2.94Å; L716-C720 WeakPolarHBondContact O-CB 3.23Å; L716-C720 PolarHBondContact O-N 2.77Å; L716-C720 PolarHBondContact O-SG 3.07Å; L716-Q751 HydrophobicContact CD1-CG 3.88Å; L716-Q751 VanDerWaalsContact CD1-O 3.3Å; L716-Q751 WeakPolarHBondContact CD1-O 3.38Å; L716-Q751 HydrophobicContact CD2-CG 4Å; L716-Q751 HydrophobicContact CG-CG 4.34Å; L716-I754 HydrophobicContact CB-CG2 4.41Å; L716-I754 HydrophobicContact CD1-CB 3.67Å; L716-I754 HydrophobicContact CD1-CG2 3.53Å; L716-E755 HydrophobicContact CD1-CB 4.27Å; L716-E755 HydrophobicContact CD2-CB 3.98Å; L716-E755 HydrophobicContact CD2-CG 4.1Å; L716-F758 HydrophobicContact CB-CD2 3.86Å; L716-F758 HydrophobicContact CB-CE2 4.14Å
717	R	92.7	Very high	91.5	Very high	20 Å²	20	61.8 Å²	61.8	8%	0.075	32%	0.323	C	S	.	.	H	α-helix	trans	-57.3	-48.1	173.1	178.3	-169.6	-77.6	156.3	-13.9	111	V713 C720 G721 L722 E724 A727 F758	V713-R717 WeakPolarHBondContact O-CB 3.39Å; V713-R717 PolarHBondContact O-N 3.21Å; R717-C720 PolarHBondContact O-N 2.76Å; R717-G721 PolarHBondContact O-N 3.16Å; R717-L722 HydrophobicContact CG-CB 3.91Å; R717-L722 WeakPolarHBondContact CG-O 3.33Å; R717-L722 PolarHBondContact O-N 3.25Å; R717-E724 IonicContact CZ-OE1 2.68Å; R717-E724 IonicContact CZ-OE2 2.71Å; R717-E724 IonicContact NH1-OE1 2.67Å; R717-E724 PolarHBondContact NH1-OE1 3.43Å; R717-E724 IonicContact NH1-OE2 2.94Å; R717-E724 PolarHBondContact NH1-OE2 3.18Å; R717-E724 VanDerWaalsContact NH1-OE2 3.1Å; R717-E724 IonicContact NH2-OE1 2.69Å; R717-E724 PolarHBondContact NH2-OE1 3.13Å; R717-A727 PolarHBondContact NE-O 2.85Å; R717-A727 VanDerWaalsContact NE-O 3.14Å; R717-A727 PolarHBondContact NH2-O 2.84Å; R717-F758 HydrophobicContact CB-CE2 4.27Å; R717-F758 HydrophobicContact CB-CZ 4.21Å
718	T	91.9	Very high	91.3	Very high	102 Å²	102	63.6 Å²	63.6	63%	0.626	34%	0.337	S	S	*	.	H	α-helix	trans	-68	-41.2	177.8	49.4	0	0	0	0	112.6	P714 Q715 L716 C720 G721	P714-T718 WeakPolarHBondContact O-CG2 3.32Å; P714-T718 PolarHBondContact O-N 3.15Å; P714-T718 VanDerWaalsContact O-N 3.12Å; P714-T718 PolarHBondContact O-OG1 3.27Å; Q715-T718 PolarHBondContact O-OG1 2.87Å; L716-T718 PolarHBondContact O-N 3.44Å; T718-C720 VanDerWaalsContact C-N 3.27Å; T718-C720 PolarHBondContact O-N 3.15Å; T718-G721 PolarHBondContact O-N 3.36Å
719	L	93.1	Very high	91.2	Very high	136 Å²	136	64.7 Å²	64.7	71%	0.712	34%	0.342	S	S	*	.	H	α-helix	trans	-61.7	-31.3	173.7	-74.9	167.3	0	0	0	113.4	Q715 L716 G721	Q715-L719 WeakPolarHBondContact O-CB 3.4Å; Q715-L719 WeakPolarHBondContact O-CD1 3.29Å; Q715-L719 WeakPolarHBondContact O-CG 3.49Å; Q715-L719 PolarHBondContact O-N 3.4Å; L716-L719 HydrophobicContact CD2-CD1 4.3Å; L716-L719 PolarHBondContact O-N 2.94Å; L719-G721 VanDerWaalsContact C-N 3.34Å
720	C	91.7	Very high	91.2	Very high	34 Å²	34	62.2 Å²	62.2	23%	0.23	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	2.4	173.6	-67.9	0	0	0	0	114.2	L716 R717 T718 L722 F758	L716-C720 WeakPolarHBondContact O-CB 3.23Å; L716-C720 PolarHBondContact O-N 2.77Å; L716-C720 PolarHBondContact O-SG 3.07Å; R717-C720 PolarHBondContact O-N 2.76Å; T718-C720 VanDerWaalsContact C-N 3.27Å; T718-C720 PolarHBondContact O-N 3.15Å; C720-L722 VanDerWaalsContact C-N 3.3Å; C720-L722 HydrophobicContact CB-CD1 4.11Å; C720-L722 HydrophobicContact CB-CG 4.3Å; C720-L722 PolarHBondContact O-N 2.94Å; C720-F758 HydrophobicContact CB-CB 4.13Å
721	G	90.4	Very high	91.3	Very high	70 Å²	70	58.6 Å²	58.6	72%	0.722	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.7	23.2	179.5	0	0	0	0	0	114.8	R717 T718 L719	R717-G721 PolarHBondContact O-N 3.16Å; T718-G721 PolarHBondContact O-N 3.36Å; L719-G721 VanDerWaalsContact C-N 3.34Å
722	L	90.6	Very high	91.3	Very high	18 Å²	18	62.2 Å²	62.2	9%	0.094	35%	0.352	C	S	.	.			trans	-96.4	154.2	-178.8	-66.6	169.7	0	0	0	111.5	R717 C720 A727 F758 V761 A762 I765	R717-L722 HydrophobicContact CG-CB 3.91Å; R717-L722 WeakPolarHBondContact CG-O 3.33Å; R717-L722 PolarHBondContact O-N 3.25Å; C720-L722 VanDerWaalsContact C-N 3.3Å; C720-L722 HydrophobicContact CB-CD1 4.11Å; C720-L722 HydrophobicContact CB-CG 4.3Å; C720-L722 PolarHBondContact O-N 2.94Å; L722-A727 HydrophobicContact CB-CB 4.22Å; L722-A727 HydrophobicContact CD1-CB 3.79Å; L722-A727 HydrophobicContact CG-CB 4.42Å; L722-F758 HydrophobicContact CD1-CB 3.9Å; L722-F758 HydrophobicContact CD1-CD1 3.77Å; L722-F758 HydrophobicContact CD1-CG 4.16Å; L722-V761 HydrophobicContact CD1-CG1 4.34Å; L722-A762 HydrophobicContact CD1-CB 4.34Å; L722-A762 HydrophobicContact CD2-CB 4.08Å; L722-A762 HydrophobicContact CG-CB 4.39Å; L722-I765 HydrophobicContact CD2-CD1 3.91Å
723	T	89.9	Confident	91.2	Very high	64 Å²	64	61.7 Å²	61.7	39%	0.393	35%	0.349	S	S	.	.			trans	-102.3	162.2	169.5	57.6	0	0	0	0	111	E725 K726 A727	T723-E725 VanDerWaalsContact C-N 3.31Å; T723-E725 PolarHBondContact O-N 3.49Å; T723-K726 PolarHBondContact O-N 2.93Å; T723-K726 VanDerWaalsContact O-N 3.15Å; T723-K726 WeakPolarHBondContact OG1-CG 3.45Å; T723-A727 PolarHBondContact O-N 3.36Å
724	E	86.3	Confident	91.2	Very high	133 Å²	133	61.1 Å²	61.1	62%	0.621	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-51.6	-50.1	176.8	-171.9	95.9	-116	0	0	111.8	R717 K726 A727	R717-E724 IonicContact CZ-OE1 2.68Å; R717-E724 IonicContact CZ-OE2 2.71Å; R717-E724 IonicContact NH1-OE1 2.67Å; R717-E724 PolarHBondContact NH1-OE1 3.43Å; R717-E724 IonicContact NH1-OE2 2.94Å; R717-E724 PolarHBondContact NH1-OE2 3.18Å; R717-E724 VanDerWaalsContact NH1-OE2 3.1Å; R717-E724 IonicContact NH2-OE1 2.69Å; R717-E724 PolarHBondContact NH2-OE1 3.13Å; E724-K726 PolarHBondContact O-N 3.07Å; E724-A727 CarbonylContact O-C 3.58Å; E724-A727 PolarHBondContact O-N 2.95Å
725	E	85.7	Confident	91.1	Very high	166 Å²	166	59.3 Å²	59.3	78%	0.776	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-58.4	-30.9	179.9	-56.7	163.6	158.8	0	0	113.4	T723 S772	T723-E725 VanDerWaalsContact C-N 3.31Å; T723-E725 PolarHBondContact O-N 3.49Å; E725-S772 WeakPolarHBondContact O-CB 3.39Å
726	K	87	Confident	90.9	Very high	95 Å²	95	56 Å²	56	41%	0.413	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-88.7	-28.1	-176.5	-73.1	-177.9	-179.9	-175.2	0	113.1	T723 E724 I765 S772 V773	T723-K726 PolarHBondContact O-N 2.93Å; T723-K726 VanDerWaalsContact O-N 3.15Å; T723-K726 WeakPolarHBondContact OG1-CG 3.45Å; E724-K726 PolarHBondContact O-N 3.07Å; K726-I765 HydrophobicContact CB-CD1 4.14Å; K726-S772 WeakPolarHBondContact O-CA 3.46Å; K726-V773 PolarHBondContact O-N 2.8Å
727	A	88.9	Confident	90.8	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.008	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	110.5	-172.4	0	0	0	0	0	112.9	R717 L722 T723 E724 F758 V761 V773	R717-A727 PolarHBondContact NE-O 2.85Å; R717-A727 VanDerWaalsContact NE-O 3.14Å; R717-A727 PolarHBondContact NH2-O 2.84Å; L722-A727 HydrophobicContact CB-CB 4.22Å; L722-A727 HydrophobicContact CD1-CB 3.79Å; L722-A727 HydrophobicContact CG-CB 4.42Å; T723-A727 PolarHBondContact O-N 3.36Å; E724-A727 CarbonylContact O-C 3.58Å; E724-A727 PolarHBondContact O-N 2.95Å; A727-F758 HydrophobicContact CB-CD1 3.89Å; A727-F758 HydrophobicContact CB-CE1 3.81Å; A727-V761 HydrophobicContact CB-CG1 3.82Å; A727-V773 WeakPolarHBondContact CA-O 3.42Å
728	S	90	Very high	90.7	Very high	50 Å²	50	55.6 Å²	55.6	35%	0.35	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	154.9	171.7	64.7	0	0	0	0	111.3	V773 V775	S728-V773 PolarHBondContact N-O 3.01Å; S728-V775 PolarHBondContact O-N 2.69Å
729	I	92.6	Very high	90.4	Very high	22 Å²	22	60.4 Å²	60.4	11%	0.113	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	131.3	175.9	-52.7	178.4	0	0	0	106.6	A733 L734 I754 V757 F758 V775	I729-A733 HydrophobicContact CG2-CB 3.89Å; I729-L734 HydrophobicContact CG2-CD2 3.88Å; I729-L734 HydrophobicContact CG2-CG 3.93Å; I729-I754 HydrophobicContact CD1-CG2 4.05Å; I729-V757 HydrophobicContact CD1-CB 4.48Å; I729-V757 HydrophobicContact CD1-CG1 3.97Å; I729-V757 HydrophobicContact CG1-CG1 4.42Å; I729-F758 HydrophobicContact CD1-CE1 4Å; I729-F758 HydrophobicContact CD1-CE2 4.07Å; I729-F758 HydrophobicContact CD1-CZ 3.68Å; I729-F758 HydrophobicContact CG1-CE1 4.13Å; I729-F758 HydrophobicContact CG1-CZ 4.09Å; I729-V775 HydrophobicContact CB-CB 4.43Å; I729-V775 HydrophobicContact CG1-CB 4.21Å; I729-V775 HydrophobicContact CG1-CG2 4.43Å; I729-V775 HydrophobicContact CG2-CB 4.27Å; I729-V775 HydrophobicContact CG2-CG1 4.39Å
730	S	93	Very high	90.1	Very high	32 Å²	32	57 Å²	57	22%	0.224	31%	0.308	C	S	.	.			trans	-72.8	152.5	179.5	75.2	0	0	0	0	112.2	D732 A733 L734 V775	S730-D732 PolarHBondContact O-N 2.82Å; S730-A733 PolarHBondContact O-N 2.67Å; S730-A733 VanDerWaalsContact O-N 3.11Å; S730-A733 WeakPolarHBondContact OG-CB 3.35Å; S730-A733 PolarHBondContact OG-N 2.73Å; S730-A733 VanDerWaalsContact OG-N 3.13Å; S730-L734 PolarHBondContact O-N 3.1Å; S730-V775 PolarHBondContact N-O 2.67Å
731	P	92.6	Very high	89.9	Confident	67 Å²	67	55.6 Å²	55.6	44%	0.435	30%	0.298	S	S	.	.	H	α-helix	trans	-58.2	-36.1	175.1	24.1	-35	0	0	0	111.7	E709 L734 G735	E709-P731 WeakPolarHBondContact OE1-CB 3.42Å; P731-L734 PolarHBondContact O-N 2.96Å; P731-G735 PolarHBondContact O-N 2.87Å
732	D	92.4	Very high	89.8	Confident	115 Å²	115	52.6 Å²	52.6	62%	0.615	27%	0.266	S	S	*	.	H	α-helix	trans	-65.8	-38.3	176.2	-55	-67.1	0	0	0	112.5	S730 G735 L736	S730-D732 PolarHBondContact O-N 2.82Å; D732-G735 PolarHBondContact O-N 2.69Å; D732-L736 VanDerWaalsContact O-CB 3.3Å; D732-L736 WeakPolarHBondContact O-CB 3.18Å; D732-L736 PolarHBondContact O-N 2.93Å
733	A	92.8	Very high	89.2	Confident	0 Å²	0	56 Å²	56	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-67.5	-36.2	174.5	0	0	0	0	0	111.9	I729 S730 L736 L737	I729-A733 HydrophobicContact CG2-CB 3.89Å; S730-A733 PolarHBondContact O-N 2.67Å; S730-A733 VanDerWaalsContact O-N 3.11Å; S730-A733 WeakPolarHBondContact OG-CB 3.35Å; S730-A733 PolarHBondContact OG-N 2.73Å; S730-A733 VanDerWaalsContact OG-N 3.13Å; A733-L736 PolarHBondContact O-N 3.18Å; A733-L737 WeakPolarHBondContact O-CB 3.18Å; A733-L737 WeakPolarHBondContact O-CG 3.47Å; A733-L737 PolarHBondContact O-N 3.08Å
734	L	93.6	Very high	88.8	Confident	3 Å²	3	54.9 Å²	54.9	2%	0.016	27%	0.268	C	S	.	.	H	α-helix	trans	-66.2	-42.6	171.1	-66.9	176.1	0	0	0	111.6	L705 A708 E709 V713 I729 S730 P731 L736 L737 I738 I754	L705-L734 HydrophobicContact CD1-CB 3.46Å; L705-L734 VanDerWaalsContact CD1-CB 3.46Å; L705-L734 HydrophobicContact CD1-CD1 4.13Å; L705-L734 HydrophobicContact CD1-CG 4.45Å; A708-L734 HydrophobicContact CB-CD1 4.24Å; A708-L734 HydrophobicContact CB-CD2 4.39Å; E709-L734 HydrophobicContact CG-CD1 3.68Å; V713-L734 HydrophobicContact CG2-CD1 4.37Å; V713-L734 HydrophobicContact CG2-CD2 4.37Å; I729-L734 HydrophobicContact CG2-CD2 3.88Å; I729-L734 HydrophobicContact CG2-CG 3.93Å; S730-L734 PolarHBondContact O-N 3.1Å; P731-L734 PolarHBondContact O-N 2.96Å; L734-L736 VanDerWaalsContact C-N 3.34Å; L734-L736 PolarHBondContact O-N 2.92Å; L734-L737 HydrophobicContact CD2-CD1 4.3Å; L734-L737 WeakPolarHBondContact O-CB 3.48Å; L734-L737 PolarHBondContact O-N 2.94Å; L734-I738 WeakPolarHBondContact O-CD1 3.42Å; L734-I738 VanDerWaalsContact O-CG1 3.25Å; L734-I738 WeakPolarHBondContact O-CG1 3.32Å; L734-I738 PolarHBondContact O-N 3.04Å; L734-I754 HydrophobicContact CD2-CD1 3.89Å; L734-I754 HydrophobicContact CD2-CG1 4.04Å
735	G	90.9	Very high	88.4	Confident	16 Å²	16	49.8 Å²	49.8	17%	0.165	25%	0.246	C	C	.	.	H	α-helix	trans	-62	-39.6	174.3	0	0	0	0	0	113	P731 D732 R739	P731-G735 PolarHBondContact O-N 2.87Å; D732-G735 PolarHBondContact O-N 2.69Å; G735-R739 VanDerWaalsContact O-CG 3.27Å; G735-R739 WeakPolarHBondContact O-CG 3.37Å; G735-R739 PolarHBondContact O-N 3.02Å; G735-R739 VanDerWaalsContact O-N 3.11Å
736	L	89.6	Confident	88.5	Confident	29 Å²	29	41.9 Å²	41.9	15%	0.152	21%	0.21	C	C	.	.	H	α-helix	trans	-66.3	-46.3	174.5	-161.5	174.9	0	0	0	110.8	D732 A733 L734 I738 R739 Q740 Y741 L780	D732-L736 VanDerWaalsContact O-CB 3.3Å; D732-L736 WeakPolarHBondContact O-CB 3.18Å; D732-L736 PolarHBondContact O-N 2.93Å; A733-L736 PolarHBondContact O-N 3.18Å; L734-L736 VanDerWaalsContact C-N 3.34Å; L734-L736 PolarHBondContact O-N 2.92Å; L736-I738 PolarHBondContact O-N 2.83Å; L736-R739 PolarHBondContact O-N 2.89Å; L736-Q740 HydrophobicContact CD2-CB 4.03Å; L736-Q740 VanDerWaalsContact CD2-CD 3.47Å; L736-Q740 HydrophobicContact CD2-CG 3.97Å; L736-Q740 PolarHBondContact O-N 3.44Å; L736-Y741 HydrophobicContact CD2-CD2 4.45Å; L736-Y741 HydrophobicContact CD2-CE2 3.9Å; L736-L780 HydrophobicContact CB-CD2 4.17Å; L736-L780 HydrophobicContact CD1-CD2 4.23Å; L736-L780 HydrophobicContact CD2-CD2 3.78Å; L736-L780 HydrophobicContact CG-CD2 4.27Å
737	L	91.9	Very high	88.7	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-51.8	-51.5	172	-89.5	175.5	0	0	0	112	A733 L734 R739 Y741 C742 L750 Q753 I754 L780 V784	A733-L737 WeakPolarHBondContact O-CB 3.18Å; A733-L737 WeakPolarHBondContact O-CG 3.47Å; A733-L737 PolarHBondContact O-N 3.08Å; L734-L737 HydrophobicContact CD2-CD1 4.3Å; L734-L737 WeakPolarHBondContact O-CB 3.48Å; L734-L737 PolarHBondContact O-N 2.94Å; L737-R739 VanDerWaalsContact C-N 3.33Å; L737-R739 PolarHBondContact O-N 2.84Å; L737-Y741 HydrophobicContact CD2-CD2 4.05Å; L737-Y741 HydrophobicContact CD2-CG 4.24Å; L737-Y741 WeakPolarHBondContact O-CB 3.43Å; L737-Y741 PolarHBondContact O-N 3.49Å; L737-C742 PolarHBondContact O-N 2.91Å; L737-L750 HydrophobicContact CB-CD1 4.26Å; L737-Q753 HydrophobicContact CD2-CB 3.75Å; L737-Q753 HydrophobicContact CD2-CG 4.42Å; L737-I754 HydrophobicContact CD1-CG1 4.15Å; L737-L780 HydrophobicContact CD1-CD1 4.2Å; L737-L780 HydrophobicContact CD2-CD1 4.19Å; L737-L780 HydrophobicContact CD2-CD2 4.33Å; L737-L780 HydrophobicContact CG-CD1 3.96Å; L737-L780 HydrophobicContact CG-CD2 3.95Å; L737-V784 HydrophobicContact CD2-CG1 4.39Å; L737-V784 HydrophobicContact CD2-CG2 3.81Å
738	I	90.1	Very high	88.9	Confident	14 Å²	14	45 Å²	45	7%	0.072	22%	0.221	C	C	.	.	H	α-helix	trans	-58.7	-44.5	-179.7	-69.8	162.1	0	0	0	110.8	A701 K704 L705 L734 L736 L750	A701-I738 HydrophobicContact CB-CG2 4.07Å; K704-I738 HydrophobicContact CB-CD1 3.86Å; K704-I738 HydrophobicContact CB-CG1 4.36Å; K704-I738 HydrophobicContact CD-CG2 4.35Å; L705-I738 HydrophobicContact CB-CD1 4.13Å; L734-I738 WeakPolarHBondContact O-CD1 3.42Å; L734-I738 VanDerWaalsContact O-CG1 3.25Å; L734-I738 WeakPolarHBondContact O-CG1 3.32Å; L734-I738 PolarHBondContact O-N 3.04Å; L736-I738 PolarHBondContact O-N 2.83Å; I738-L750 HydrophobicContact CD1-CD2 4.11Å; I738-L750 HydrophobicContact CG1-CD1 3.71Å; I738-L750 HydrophobicContact CG1-CD2 3.78Å; I738-L750 HydrophobicContact CG1-CG 4.39Å
739	R	84.8	Confident	88.9	Confident	203 Å²	203	44.7 Å²	44.7	77%	0.766	22%	0.215	S	C	*	.	H	α-helix	trans	-74.2	-46	-176.9	-69.5	171.4	-173.4	179.2	4.1	113.8	G735 L736 L737	G735-R739 VanDerWaalsContact O-CG 3.27Å; G735-R739 WeakPolarHBondContact O-CG 3.37Å; G735-R739 PolarHBondContact O-N 3.02Å; G735-R739 VanDerWaalsContact O-N 3.11Å; L736-R739 PolarHBondContact O-N 2.89Å; L737-R739 VanDerWaalsContact C-N 3.33Å; L737-R739 PolarHBondContact O-N 2.84Å
740	Q	87.1	Confident	89	Confident	64 Å²	64	43.7 Å²	43.7	30%	0.299	21%	0.21	S	C	.	.	H	α-helix	trans	-101.7	-11.2	-167.7	-66.8	-173.8	2.9	0	0	115	L736 P787 V788 F789	L736-Q740 HydrophobicContact CD2-CB 4.03Å; L736-Q740 VanDerWaalsContact CD2-CD 3.47Å; L736-Q740 HydrophobicContact CD2-CG 3.97Å; L736-Q740 PolarHBondContact O-N 3.44Å; Q740-P787 HydrophobicContact CB-CB 4.22Å; Q740-V788 PolarHBondContact O-N 3.26Å; Q740-F789 PolarHBondContact O-N 2.83Å
741	Y	88.7	Confident	89	Confident	5 Å²	5	45.6 Å²	45.6	2%	0.02	22%	0.215	C	C	.	.	H	α-helix	trans	-128.9	-7.2	-175.2	-59.6	-97.2	0	0	0	114	L736 L737 N749 L780 H781 V784 G785 K786 V788	L736-Y741 HydrophobicContact CD2-CD2 4.45Å; L736-Y741 HydrophobicContact CD2-CE2 3.9Å; L737-Y741 HydrophobicContact CD2-CD2 4.05Å; L737-Y741 HydrophobicContact CD2-CG 4.24Å; L737-Y741 WeakPolarHBondContact O-CB 3.43Å; L737-Y741 PolarHBondContact O-N 3.49Å; Y741-N749 PolarHBondContact O-ND2 2.84Å; Y741-L780 HydrophobicContact CE2-CD2 4.36Å; Y741-H781 PolarHBondContact OH-ND1 3.24Å; Y741-V784 HydrophobicContact CD1-CB 4.3Å; Y741-V784 HydrophobicContact CD1-CG1 3.38Å; Y741-V784 HydrophobicContact CE1-CB 3.8Å; Y741-V784 HydrophobicContact CE1-CG1 3.34Å; Y741-V784 HydrophobicContact CG-CG1 4.1Å; Y741-G785 PolarHBondContact OH-O 2.77Å; Y741-K786 VanDerWaalsContact CE1-O 3.27Å; Y741-K786 WeakPolarHBondContact CE1-O 3.46Å; Y741-V788 HydrophobicContact CD1-CG2 3.94Å
742	C	87.3	Confident	89.1	Confident	7 Å²	7	48.2 Å²	48.2	5%	0.047	22%	0.219	C	C	.	.			trans	-133.7	60.4	-167.9	-59.3	0	0	0	0	115.6	L737 E744	L737-C742 PolarHBondContact O-N 2.91Å; C742-E744 VanDerWaalsContact C-N 3.29Å; C742-E744 PolarHBondContact O-N 2.87Å
743	R	77.9	Confident	89.2	Confident	91 Å²	91	44.1 Å²	44.1	34%	0.343	20%	0.197	S	C	.	.			trans	-72.6	77.5	168.6	-166.2	169.3	175.9	-168.9	-6.7	111.2	F789 S814 E883	R743-F789 HydrophobicContact CB-CD1 4.23Å; R743-F789 HydrophobicContact CB-CD2 4.05Å; R743-F789 HydrophobicContact CB-CE1 3.91Å; R743-F789 HydrophobicContact CB-CE2 3.72Å; R743-F789 HydrophobicContact CB-CG 4.3Å; R743-F789 HydrophobicContact CB-CZ 3.64Å; R743-S814 PolarHBondContact NH2-OG 2.7Å; R743-E883 IonicContact CZ-OE1 3.86Å; R743-E883 IonicContact NH1-OE1 3.25Å; R743-E883 IonicContact NH2-OE1 2.96Å; R743-E883 PolarHBondContact NH2-OE1 3.39Å
744	E	81.2	Confident	89.3	Confident	40 Å²	40	44.1 Å²	44.1	19%	0.187	20%	0.197	C	C	.	.	S	Bend	trans	-144	164.8	175.1	60.6	170.6	167.5	0	0	111.1	K704 C742 G746 V747 R748 N749 L750	K704-E744 PolarHBondContact NZ-O 3.06Å; C742-E744 VanDerWaalsContact C-N 3.29Å; C742-E744 PolarHBondContact O-N 2.87Å; E744-G746 WeakPolarHBondContact CG-O 3.34Å; E744-V747 WeakPolarHBondContact OE1-CA 3.39Å; E744-R748 PolarHBondContact OE1-N 3Å; E744-R748 VanDerWaalsContact OE1-N 3.07Å; E744-R748 PolarHBondContact OE2-N 3.34Å; E744-R748 VanDerWaalsContact OE2-N 3.17Å; E744-N749 VanDerWaalsContact CD-CB 3.49Å; E744-N749 HydrophobicContact CG-CB 4.28Å; E744-N749 WeakPolarHBondContact OE1-CA 3.34Å; E744-N749 WeakPolarHBondContact OE1-CB 3.47Å; E744-N749 PolarHBondContact OE1-N 2.88Å; E744-N749 PolarHBondContact OE2-N 2.99Å; E744-L750 PolarHBondContact OE1-N 2.82Å
745	S	79.1	Confident	89.4	Confident	25 Å²	25	47 Å²	47	18%	0.175	21%	0.21	C	C	.	.	S	Bend	trans	-85.5	-32.2	172.5	-71.2	0	0	0	0	113.9	G698 Y699 L811	G698-S745 WeakPolarHBondContact CA-O 3.17Å; Y699-S745 PolarHBondContact N-O 2.98Å; S745-L811 PolarHBondContact OG-O 3.44Å
746	G	86.7	Confident	89.6	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.01	22%	0.22	C	C	.	.	S	Bend	trans	-87.3	-157.5	175.9	0	0	0	0	0	113.9	G564 K704 E744	G564-G746 WeakPolarHBondContact O-CA 3.49Å; K704-G746 VanDerWaalsContact CE-O 3.25Å; K704-G746 WeakPolarHBondContact CE-O 3.49Å; K704-G746 PolarHBondContact NZ-O 2.95Å; E744-G746 WeakPolarHBondContact CG-O 3.34Å
747	V	92.3	Very high	89.8	Confident	15 Å²	15	48.9 Å²	48.9	9%	0.091	21%	0.212	C	C	.	.	S	Bend	trans	-121	20.1	174.4	-64.1	0	0	0	0	113.6	G564 Y699 K704 I707 L712 E744 L750 Q751	G564-V747 PolarHBondContact O-N 3.46Å; Y699-V747 HydrophobicContact CD2-CG1 4.07Å; K704-V747 HydrophobicContact CB-CG1 4.25Å; K704-V747 HydrophobicContact CD-CG1 4.17Å; K704-V747 HydrophobicContact CG-CG1 3.85Å; I707-V747 HydrophobicContact CG2-CG1 4.31Å; I707-V747 HydrophobicContact CG2-CG2 4.29Å; L712-V747 HydrophobicContact CD1-CB 4.06Å; L712-V747 HydrophobicContact CD1-CG2 4.17Å; E744-V747 WeakPolarHBondContact OE1-CA 3.39Å; V747-L750 HydrophobicContact CB-CB 4.28Å; V747-L750 HydrophobicContact CB-CD2 4.33Å; V747-L750 HydrophobicContact CG1-CD2 4.11Å; V747-L750 PolarHBondContact O-N 3.16Å; V747-Q751 WeakPolarHBondContact O-CB 3.34Å; V747-Q751 PolarHBondContact O-N 3.21Å
748	R	91.6	Very high	89.9	Confident	147 Å²	147	48.9 Å²	48.9	56%	0.555	21%	0.213	S	C	*	.	H	α-helix	trans	-76.4	-36.1	-172.5	-170.5	179.8	-174.4	-174.1	3.5	112.8	E744 K752	E744-R748 PolarHBondContact OE1-N 3Å; E744-R748 VanDerWaalsContact OE1-N 3.07Å; E744-R748 PolarHBondContact OE2-N 3.34Å; E744-R748 VanDerWaalsContact OE2-N 3.17Å; R748-K752 WeakPolarHBondContact O-CG 2.97Å; R748-K752 PolarHBondContact O-N 3.3Å
749	N	91.9	Very high	90.1	Very high	43 Å²	43	55.8 Å²	55.8	23%	0.23	24%	0.238	C	C	.	.	H	α-helix	trans	-74.2	-39.5	169.6	-173.1	19.5	0	0	0	110.5	Y741 E744 Q751 K752 Q753	Y741-N749 PolarHBondContact O-ND2 2.84Å; E744-N749 VanDerWaalsContact CD-CB 3.49Å; E744-N749 HydrophobicContact CG-CB 4.28Å; E744-N749 WeakPolarHBondContact OE1-CA 3.34Å; E744-N749 WeakPolarHBondContact OE1-CB 3.47Å; E744-N749 PolarHBondContact OE1-N 2.88Å; E744-N749 PolarHBondContact OE2-N 2.99Å; N749-Q751 VanDerWaalsContact C-N 3.33Å; N749-Q751 PolarHBondContact O-N 3.21Å; N749-K752 WeakPolarHBondContact O-CB 3.38Å; N749-K752 PolarHBondContact O-N 2.91Å; N749-Q753 WeakPolarHBondContact O-CG 3.46Å; N749-Q753 PolarHBondContact O-N 2.67Å; N749-Q753 PolarHBondContact OD1-NE2 3.38Å
750	L	93.4	Very high	90.5	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-55.9	-47.1	174.6	-177.5	59.2	0	0	0	111.9	K704 A708 L712 L737 I738 E744 V747 K752 Q753 I754	K704-L750 HydrophobicContact CB-CD2 4.17Å; A708-L750 HydrophobicContact CB-CD2 4.12Å; L712-L750 HydrophobicContact CD1-CD2 4.33Å; L712-L750 HydrophobicContact CD1-CG 4.34Å; L737-L750 HydrophobicContact CB-CD1 4.26Å; I738-L750 HydrophobicContact CD1-CD2 4.11Å; I738-L750 HydrophobicContact CG1-CD1 3.71Å; I738-L750 HydrophobicContact CG1-CD2 3.78Å; I738-L750 HydrophobicContact CG1-CG 4.39Å; E744-L750 PolarHBondContact OE1-N 2.82Å; V747-L750 HydrophobicContact CB-CB 4.28Å; V747-L750 HydrophobicContact CB-CD2 4.33Å; V747-L750 HydrophobicContact CG1-CD2 4.11Å; V747-L750 PolarHBondContact O-N 3.16Å; L750-K752 VanDerWaalsContact C-N 3.34Å; L750-K752 PolarHBondContact O-N 2.62Å; L750-Q753 PolarHBondContact O-N 2.69Å; L750-I754 HydrophobicContact CD1-CD1 4.04Å; L750-I754 HydrophobicContact CD1-CG1 4.37Å; L750-I754 HydrophobicContact CG-CD1 3.96Å; L750-I754 WeakPolarHBondContact O-CG1 3.21Å; L750-I754 PolarHBondContact O-N 2.89Å
751	Q	94.3	Very high	90.8	Very high	72 Å²	72	46.7 Å²	46.7	34%	0.336	20%	0.203	S	C	.	.	H	α-helix	trans	-54.4	-47.4	172.8	-171	-175.1	14.5	0	0	111.8	L712 L716 V747 N749 Q753 I754 E755	L712-Q751 HydrophobicContact CD1-CB 4.45Å; L712-Q751 HydrophobicContact CD2-CG 4.37Å; L716-Q751 HydrophobicContact CD1-CG 3.88Å; L716-Q751 VanDerWaalsContact CD1-O 3.3Å; L716-Q751 WeakPolarHBondContact CD1-O 3.38Å; L716-Q751 HydrophobicContact CD2-CG 4Å; L716-Q751 HydrophobicContact CG-CG 4.34Å; V747-Q751 WeakPolarHBondContact O-CB 3.34Å; V747-Q751 PolarHBondContact O-N 3.21Å; N749-Q751 VanDerWaalsContact C-N 3.33Å; N749-Q751 PolarHBondContact O-N 3.21Å; Q751-Q753 PolarHBondContact O-N 2.73Å; Q751-I754 PolarHBondContact O-N 3.19Å; Q751-E755 WeakPolarHBondContact O-CB 3.35Å; Q751-E755 PolarHBondContact O-N 3.26Å
752	K	94.3	Very high	90.9	Very high	122 Å²	122	47.4 Å²	47.4	53%	0.53	21%	0.21	S	C	.	.	H	α-helix	trans	-62.2	-38.7	177.7	-72.5	175.2	176.7	-175.1	0	113.3	R748 N749 L750 K756	R748-K752 WeakPolarHBondContact O-CG 2.97Å; R748-K752 PolarHBondContact O-N 3.3Å; N749-K752 WeakPolarHBondContact O-CB 3.38Å; N749-K752 PolarHBondContact O-N 2.91Å; L750-K752 VanDerWaalsContact C-N 3.34Å; L750-K752 PolarHBondContact O-N 2.62Å; K752-K756 VanDerWaalsContact O-CB 3.26Å; K752-K756 WeakPolarHBondContact O-CB 3.26Å; K752-K756 PolarHBondContact O-N 3.32Å
753	Q	94.4	Very high	91.2	Very high	30 Å²	30	53.3 Å²	53.3	14%	0.14	24%	0.235	C	C	.	.	H	α-helix	trans	-72.2	-40.8	179.2	-56.5	-48.3	-36.5	0	0	111.4	L737 N749 L750 Q751 E755 K756 V757	L737-Q753 HydrophobicContact CD2-CB 3.75Å; L737-Q753 HydrophobicContact CD2-CG 4.42Å; N749-Q753 WeakPolarHBondContact O-CG 3.46Å; N749-Q753 PolarHBondContact O-N 2.67Å; N749-Q753 PolarHBondContact OD1-NE2 3.38Å; L750-Q753 PolarHBondContact O-N 2.69Å; Q751-Q753 PolarHBondContact O-N 2.73Å; Q753-E755 VanDerWaalsContact C-N 3.34Å; Q753-E755 PolarHBondContact O-N 2.82Å; Q753-K756 WeakPolarHBondContact O-CB 3.29Å; Q753-K756 PolarHBondContact O-N 2.87Å; Q753-V757 WeakPolarHBondContact O-CG2 3.43Å; Q753-V757 PolarHBondContact O-N 3.45Å
754	I	94.9	Very high	91.7	Very high	0 Å²	0	52 Å²	52	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-62.4	-42.6	174.2	-63.7	167	0	0	0	110.4	A708 L712 V713 L716 I729 L734 L737 L750 Q751 K756 V757 F758	A708-I754 HydrophobicContact CB-CD1 3.99Å; L712-I754 HydrophobicContact CB-CD1 4.21Å; L712-I754 HydrophobicContact CD1-CD1 4.36Å; V713-I754 HydrophobicContact CG2-CG2 4.19Å; L716-I754 HydrophobicContact CB-CG2 4.41Å; L716-I754 HydrophobicContact CD1-CB 3.67Å; L716-I754 HydrophobicContact CD1-CG2 3.53Å; I729-I754 HydrophobicContact CD1-CG2 4.05Å; L734-I754 HydrophobicContact CD2-CD1 3.89Å; L734-I754 HydrophobicContact CD2-CG1 4.04Å; L737-I754 HydrophobicContact CD1-CG1 4.15Å; L750-I754 HydrophobicContact CD1-CD1 4.04Å; L750-I754 HydrophobicContact CD1-CG1 4.37Å; L750-I754 HydrophobicContact CG-CD1 3.96Å; L750-I754 WeakPolarHBondContact O-CG1 3.21Å; L750-I754 PolarHBondContact O-N 2.89Å; Q751-I754 PolarHBondContact O-N 3.19Å; I754-K756 PolarHBondContact O-N 3.37Å; I754-V757 WeakPolarHBondContact O-CB 3.45Å; I754-V757 PolarHBondContact O-N 3.11Å; I754-F758 HydrophobicContact CG2-CD2 3.76Å; I754-F758 HydrophobicContact CG2-CE2 3.47Å; I754-F758 VanDerWaalsContact CG2-CE2 3.47Å; I754-F758 HydrophobicContact CG2-CZ 4.43Å; I754-F758 WeakPolarHBondContact O-CD2 3.26Å; I754-F758 PolarHBondContact O-N 2.85Å
755	E	95.2	Very high	92.2	Very high	62 Å²	62	51.7 Å²	51.7	29%	0.29	23%	0.232	S	C	.	.	H	α-helix	trans	-61.7	-42.9	175.4	-166.7	-159.3	149.8	0	0	111.5	L716 Q751 Q753 V757 F758 R759	L716-E755 HydrophobicContact CD1-CB 4.27Å; L716-E755 HydrophobicContact CD2-CB 3.98Å; L716-E755 HydrophobicContact CD2-CG 4.1Å; Q751-E755 WeakPolarHBondContact O-CB 3.35Å; Q751-E755 PolarHBondContact O-N 3.26Å; Q753-E755 VanDerWaalsContact C-N 3.34Å; Q753-E755 PolarHBondContact O-N 2.82Å; E755-V757 VanDerWaalsContact C-N 3.33Å; E755-V757 PolarHBondContact O-N 3.37Å; E755-F758 PolarHBondContact O-N 2.81Å; E755-R759 VanDerWaalsContact O-CB 3.25Å; E755-R759 WeakPolarHBondContact O-CB 3.47Å; E755-R759 PolarHBondContact O-N 2.9Å; E755-R759 IonicContact OE1-CZ 2.73Å; E755-R759 IonicContact OE1-NE 4Å; E755-R759 IonicContact OE1-NH2 3.1Å; E755-R759 PolarHBondContact OE1-NH2 3.16Å
756	K	94.8	Very high	92.7	Very high	85 Å²	85	56.6 Å²	56.6	37%	0.37	26%	0.26	S	S	.	.	H	α-helix	trans	-62.8	-37.5	176.3	176	-177.9	168.1	-168.8	0	112.3	K752 Q753 I754 K760 V784	K752-K756 VanDerWaalsContact O-CB 3.26Å; K752-K756 WeakPolarHBondContact O-CB 3.26Å; K752-K756 PolarHBondContact O-N 3.32Å; Q753-K756 WeakPolarHBondContact O-CB 3.29Å; Q753-K756 PolarHBondContact O-N 2.87Å; I754-K756 PolarHBondContact O-N 3.37Å; K756-K760 PolarHBondContact O-N 3.03Å; K756-V784 WeakPolarHBondContact CE-O 3.25Å; K756-V784 PolarHBondContact NZ-O 3.05Å
757	V	94.3	Very high	92.9	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-62.6	-55.9	172.1	171.3	0	0	0	0	109.9	I729 Q753 I754 E755 R759 K760 V761 V775 L780 V784	I729-V757 HydrophobicContact CD1-CB 4.48Å; I729-V757 HydrophobicContact CD1-CG1 3.97Å; I729-V757 HydrophobicContact CG1-CG1 4.42Å; Q753-V757 WeakPolarHBondContact O-CG2 3.43Å; Q753-V757 PolarHBondContact O-N 3.45Å; I754-V757 WeakPolarHBondContact O-CB 3.45Å; I754-V757 PolarHBondContact O-N 3.11Å; E755-V757 VanDerWaalsContact C-N 3.33Å; E755-V757 PolarHBondContact O-N 3.37Å; V757-R759 VanDerWaalsContact C-N 3.33Å; V757-R759 PolarHBondContact O-N 2.71Å; V757-K760 PolarHBondContact O-N 3.23Å; V757-K760 VanDerWaalsContact O-N 3.14Å; V757-V761 HydrophobicContact CG1-CG2 4.39Å; V757-V761 WeakPolarHBondContact O-CG2 3.23Å; V757-V761 PolarHBondContact O-N 2.88Å; V757-V775 HydrophobicContact CG1-CG1 4.31Å; V757-V775 HydrophobicContact CG1-CG2 3.8Å; V757-L780 HydrophobicContact CG2-CD1 4.17Å; V757-V784 HydrophobicContact CG2-CG2 3.66Å
758	F	94.6	Very high	92.5	Very high	1 Å²	1	62.3 Å²	62.3	0%	0.004	31%	0.311	C	S	.	.	H	α-helix	trans	-60.4	-38.8	-179.9	-74.7	-48.2	0	0	0	113.2	V713 L716 R717 C720 L722 A727 I729 I754 E755 K760 V761 A762	V713-F758 HydrophobicContact CG1-CZ 4.13Å; V713-F758 HydrophobicContact CG2-CE2 4.5Å; V713-F758 HydrophobicContact CG2-CZ 4.49Å; L716-F758 HydrophobicContact CB-CD2 3.86Å; L716-F758 HydrophobicContact CB-CE2 4.14Å; R717-F758 HydrophobicContact CB-CE2 4.27Å; R717-F758 HydrophobicContact CB-CZ 4.21Å; C720-F758 HydrophobicContact CB-CB 4.13Å; L722-F758 HydrophobicContact CD1-CB 3.9Å; L722-F758 HydrophobicContact CD1-CD1 3.77Å; L722-F758 HydrophobicContact CD1-CG 4.16Å; A727-F758 HydrophobicContact CB-CD1 3.89Å; A727-F758 HydrophobicContact CB-CE1 3.81Å; I729-F758 HydrophobicContact CD1-CE1 4Å; I729-F758 HydrophobicContact CD1-CE2 4.07Å; I729-F758 HydrophobicContact CD1-CZ 3.68Å; I729-F758 HydrophobicContact CG1-CE1 4.13Å; I729-F758 HydrophobicContact CG1-CZ 4.09Å; I754-F758 HydrophobicContact CG2-CD2 3.76Å; I754-F758 HydrophobicContact CG2-CE2 3.47Å; I754-F758 VanDerWaalsContact CG2-CE2 3.47Å; I754-F758 HydrophobicContact CG2-CZ 4.43Å; I754-F758 WeakPolarHBondContact O-CD2 3.26Å; I754-F758 PolarHBondContact O-N 2.85Å; E755-F758 PolarHBondContact O-N 2.81Å; F758-K760 VanDerWaalsContact C-N 3.33Å; F758-K760 PolarHBondContact O-N 3.26Å; F758-V761 PolarHBondContact O-N 3.25Å; F758-A762 WeakPolarHBondContact O-CB 3.44Å; F758-A762 PolarHBondContact O-N 2.92Å
759	R	94.3	Very high	91.8	Very high	158 Å²	158	58.4 Å²	58.4	60%	0.596	31%	0.311	S	S	*	.	H	α-helix	trans	-62.1	-38.7	176.6	-163.7	-170.7	-61	-175.7	-0.1	112.2	E755 V757 F763	E755-R759 VanDerWaalsContact O-CB 3.25Å; E755-R759 WeakPolarHBondContact O-CB 3.47Å; E755-R759 PolarHBondContact O-N 2.9Å; E755-R759 IonicContact OE1-CZ 2.73Å; E755-R759 IonicContact OE1-NE 4Å; E755-R759 IonicContact OE1-NH2 3.1Å; E755-R759 PolarHBondContact OE1-NH2 3.16Å; V757-R759 VanDerWaalsContact C-N 3.33Å; V757-R759 PolarHBondContact O-N 2.71Å; R759-F763 PolarHBondContact O-N 3.43Å; R759-F763 VanDerWaalsContact O-N 3.1Å
760	K	92.6	Very high	91.2	Very high	75 Å²	75	61.7 Å²	61.7	33%	0.326	32%	0.323	S	S	.	.	H	α-helix	trans	-71.4	-40.8	172	-90.8	-172.7	172.4	178.9	0	112.6	K756 V757 F758 A762 F763 H764 D782 Y783	K756-K760 PolarHBondContact O-N 3.03Å; V757-K760 PolarHBondContact O-N 3.23Å; V757-K760 VanDerWaalsContact O-N 3.14Å; F758-K760 VanDerWaalsContact C-N 3.33Å; F758-K760 PolarHBondContact O-N 3.26Å; K760-A762 VanDerWaalsContact C-N 3.33Å; K760-A762 PolarHBondContact O-N 3.37Å; K760-F763 WeakPolarHBondContact O-CB 3.37Å; K760-F763 PolarHBondContact O-N 3.38Å; K760-F763 VanDerWaalsContact O-N 3.17Å; K760-H764 PolarHBondContact O-CD2 3.41Å; K760-H764 PolarHBondContact O-N 2.97Å; K760-D782 PolarHBondContact NZ-O 3.11Å; K760-Y783 HydrophobicContact CB-CD1 3.91Å; K760-Y783 HydrophobicContact CD-CD1 4.3Å; K760-Y783 VanDerWaalsContact CD-O 3.23Å; K760-Y783 WeakPolarHBondContact CD-O 3.16Å; K760-Y783 WeakPolarHBondContact CE-O 3.33Å; K760-Y783 PolarHBondContact NZ-O 2.9Å
761	V	92.6	Very high	90.5	Very high	1 Å²	1	68.5 Å²	68.5	1%	0.006	36%	0.359	C	S	.	.	H	α-helix	trans	-57.8	-48	175.4	168.6	0	0	0	0	110.4	L722 A727 V757 F758 F763 H764 I765 V773 V775 Y783	L722-V761 HydrophobicContact CD1-CG1 4.34Å; A727-V761 HydrophobicContact CB-CG1 3.82Å; V757-V761 HydrophobicContact CG1-CG2 4.39Å; V757-V761 WeakPolarHBondContact O-CG2 3.23Å; V757-V761 PolarHBondContact O-N 2.88Å; F758-V761 PolarHBondContact O-N 3.25Å; V761-F763 VanDerWaalsContact C-N 3.35Å; V761-F763 PolarHBondContact O-N 3.32Å; V761-H764 PolarHBondContact O-N 3.3Å; V761-I765 HydrophobicContact CG1-CD1 3.66Å; V761-I765 HydrophobicContact CG1-CG1 4.49Å; V761-I765 VanDerWaalsContact O-CG1 3.32Å; V761-I765 WeakPolarHBondContact O-CG1 3.41Å; V761-I765 PolarHBondContact O-N 3.45Å; V761-V773 HydrophobicContact CG1-CB 3.83Å; V761-V773 HydrophobicContact CG1-CG2 3.98Å; V761-V773 HydrophobicContact CG2-CB 4.14Å; V761-V773 HydrophobicContact CG2-CG1 4Å; V761-V775 HydrophobicContact CG2-CG2 4.26Å; V761-Y783 HydrophobicContact CG2-CD1 4.26Å; V761-Y783 HydrophobicContact CG2-CE1 4.01Å
762	A	92.3	Very high	90.1	Very high	21 Å²	21	68.5 Å²	68.5	17%	0.174	37%	0.367	C	S	.	.	H	α-helix	trans	-57.4	-44.2	173.5	0	0	0	0	0	112.4	L722 F758 K760 H764 I765 V766	L722-A762 HydrophobicContact CD1-CB 4.34Å; L722-A762 HydrophobicContact CD2-CB 4.08Å; L722-A762 HydrophobicContact CG-CB 4.39Å; F758-A762 WeakPolarHBondContact O-CB 3.44Å; F758-A762 PolarHBondContact O-N 2.92Å; K760-A762 VanDerWaalsContact C-N 3.33Å; K760-A762 PolarHBondContact O-N 3.37Å; A762-H764 PolarHBondContact O-N 3.48Å; A762-I765 PolarHBondContact O-N 3.05Å; A762-V766 WeakPolarHBondContact O-CB 3.38Å; A762-V766 VanDerWaalsContact O-CG2 3.32Å; A762-V766 WeakPolarHBondContact O-CG2 3.47Å; A762-V766 PolarHBondContact O-N 2.97Å
763	F	91.8	Very high	89.8	Confident	131 Å²	131	63 Å²	63	58%	0.575	34%	0.344	S	S	*	.	H	α-helix	trans	-60.1	-43.5	175.5	174.5	-99	0	0	0	112.9	R759 K760 V761 S767	R759-F763 PolarHBondContact O-N 3.43Å; R759-F763 VanDerWaalsContact O-N 3.1Å; K760-F763 WeakPolarHBondContact O-CB 3.37Å; K760-F763 PolarHBondContact O-N 3.38Å; K760-F763 VanDerWaalsContact O-N 3.17Å; V761-F763 VanDerWaalsContact C-N 3.35Å; V761-F763 PolarHBondContact O-N 3.32Å; F763-S767 VanDerWaalsContact O-CB 3.24Å; F763-S767 WeakPolarHBondContact O-CB 3.41Å; F763-S767 PolarHBondContact O-N 3.46Å; F763-S767 PolarHBondContact O-OG 3.02Å
764	H	89.6	Confident	89.6	Confident	64 Å²	64	64.7 Å²	64.7	30%	0.296	36%	0.363	S	S	.	.	H	α-helix	trans	-67.7	-36.1	177.6	-73.5	-66.8	0	0	0	113.1	K760 V761 A762 G768 A769 Y783	K760-H764 PolarHBondContact O-CD2 3.41Å; K760-H764 PolarHBondContact O-N 2.97Å; V761-H764 PolarHBondContact O-N 3.3Å; A762-H764 PolarHBondContact O-N 3.48Å; H764-G768 PolarHBondContact O-N 2.83Å; H764-A769 HydrophobicContact CB-CB 4.48Å; H764-A769 WeakPolarHBondContact O-CB 3.5Å; H764-A769 PolarHBondContact O-N 2.88Å; H764-Y783 AromaticContact CD2-CE1 3.98Å
765	I	90.7	Very high	89.5	Confident	32 Å²	32	64.9 Å²	64.9	16%	0.164	36%	0.364	C	S	.	.	H	α-helix	trans	-67.3	-48.9	175	-65.4	162	0	0	0	110.4	L722 K726 V761 A762 S767 G768 K770	L722-I765 HydrophobicContact CD2-CD1 3.91Å; K726-I765 HydrophobicContact CB-CD1 4.14Å; V761-I765 HydrophobicContact CG1-CD1 3.66Å; V761-I765 HydrophobicContact CG1-CG1 4.49Å; V761-I765 VanDerWaalsContact O-CG1 3.32Å; V761-I765 WeakPolarHBondContact O-CG1 3.41Å; V761-I765 PolarHBondContact O-N 3.45Å; A762-I765 PolarHBondContact O-N 3.05Å; I765-S767 VanDerWaalsContact C-N 3.25Å; I765-S767 PolarHBondContact O-N 2.85Å; I765-G768 PolarHBondContact O-N 3.28Å; I765-K770 WeakPolarHBondContact CA-O 3.4Å; I765-K770 WeakPolarHBondContact CG1-O 3.28Å
766	V	90.9	Very high	89.3	Confident	128 Å²	128	63.7 Å²	63.7	78%	0.776	36%	0.363	S	S	*	.	H	α-helix	trans	-65.2	-29.5	178.5	172.7	0	0	0	0	112.1	A762 G768	A762-V766 WeakPolarHBondContact O-CB 3.38Å; A762-V766 VanDerWaalsContact O-CG2 3.32Å; A762-V766 WeakPolarHBondContact O-CG2 3.47Å; A762-V766 PolarHBondContact O-N 2.97Å; V766-G768 PolarHBondContact O-N 2.82Å
767	S	89.1	Confident	89.1	Confident	69 Å²	69	61.5 Å²	61.5	48%	0.483	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	2.5	173.6	-55.1	0	0	0	0	113.9	F763 I765 A769	F763-S767 VanDerWaalsContact O-CB 3.24Å; F763-S767 WeakPolarHBondContact O-CB 3.41Å; F763-S767 PolarHBondContact O-N 3.46Å; F763-S767 PolarHBondContact O-OG 3.02Å; I765-S767 VanDerWaalsContact C-N 3.25Å; I765-S767 PolarHBondContact O-N 2.85Å; S767-A769 VanDerWaalsContact C-N 3.27Å; S767-A769 PolarHBondContact O-N 2.86Å
768	G	84.3	Confident	88.8	Confident	67 Å²	67	67.5 Å²	67.5	69%	0.691	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.1	20	179.6	0	0	0	0	0	114.8	H764 I765 V766	H764-G768 PolarHBondContact O-N 2.83Å; I765-G768 PolarHBondContact O-N 3.28Å; V766-G768 PolarHBondContact O-N 2.82Å
769	A	77.8	Confident	88.6	Confident	65 Å²	65	69.2 Å²	69.2	54%	0.537	40%	0.4	S	S	.	.	S	Bend	trans	-85.1	-30.1	-175.3	0	0	0	0	0	113.4	H764 S767	H764-A769 HydrophobicContact CB-CB 4.48Å; H764-A769 WeakPolarHBondContact O-CB 3.5Å; H764-A769 PolarHBondContact O-N 2.88Å; S767-A769 VanDerWaalsContact C-N 3.27Å; S767-A769 PolarHBondContact O-N 2.86Å
770	K	78.8	Confident	88.5	Confident	113 Å²	113	61.7 Å²	61.7	49%	0.491	37%	0.371	S	S	.	.			trans	-156.5	136.7	175.7	-62.1	-174.6	-179.6	178.6	0	109.2	I765 V773	I765-K770 WeakPolarHBondContact CA-O 3.4Å; I765-K770 WeakPolarHBondContact CG1-O 3.28Å; K770-V773 HydrophobicContact CB-CG2 4.12Å; K770-V773 HydrophobicContact CD-CG2 4.1Å
771	D	80.1	Confident	88.3	Confident	142 Å²	142	61.7 Å²	61.7	76%	0.759	37%	0.372	S	S	*	.	S	Bend	trans	-76.4	-30.9	177.8	-61.2	-63.7	0	0	0	113.7
772	S	85.7	Confident	88.2	Confident	72 Å²	72	67.2 Å²	67.2	50%	0.503	40%	0.402	S	S	.	.			trans	-140.2	153.2	175.8	58.6	0	0	0	0	110.9	E725 K726	E725-S772 WeakPolarHBondContact O-CB 3.39Å; K726-S772 WeakPolarHBondContact O-CA 3.46Å
773	V	88.1	Confident	88.1	Confident	7 Å²	7	66.7 Å²	66.7	4%	0.042	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	119.9	-179.7	-174.4	0	0	0	0	110.9	K726 A727 S728 V761 K770 V775 Y783	K726-V773 PolarHBondContact O-N 2.8Å; A727-V773 WeakPolarHBondContact CA-O 3.42Å; S728-V773 PolarHBondContact N-O 3.01Å; V761-V773 HydrophobicContact CG1-CB 3.83Å; V761-V773 HydrophobicContact CG1-CG2 3.98Å; V761-V773 HydrophobicContact CG2-CB 4.14Å; V761-V773 HydrophobicContact CG2-CG1 4Å; K770-V773 HydrophobicContact CB-CG2 4.12Å; K770-V773 HydrophobicContact CD-CG2 4.1Å; V773-V775 HydrophobicContact CG1-CG2 4.19Å; V773-Y783 HydrophobicContact CG1-CE2 4.45Å; V773-Y783 VanDerWaalsContact CG1-OH 3.3Å; V773-Y783 WeakPolarHBondContact CG1-OH 3.49Å
774	A	90.1	Very high	88	Confident	66 Å²	66	60.9 Å²	60.9	55%	0.545	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	126.3	163.3	0	0	0	0	0	109.7	N779	A774-N779 PolarHBondContact O-ND2 2.9Å
775	V	91.4	Very high	88	Confident	4 Å²	4	59.2 Å²	59.2	2%	0.024	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	117	179.9	-178.4	0	0	0	0	109.5	S728 I729 S730 V757 V761 V773 N779 L780 Y783	S728-V775 PolarHBondContact O-N 2.69Å; I729-V775 HydrophobicContact CB-CB 4.43Å; I729-V775 HydrophobicContact CG1-CB 4.21Å; I729-V775 HydrophobicContact CG1-CG2 4.43Å; I729-V775 HydrophobicContact CG2-CB 4.27Å; I729-V775 HydrophobicContact CG2-CG1 4.39Å; S730-V775 PolarHBondContact N-O 2.67Å; V757-V775 HydrophobicContact CG1-CG1 4.31Å; V757-V775 HydrophobicContact CG1-CG2 3.8Å; V761-V775 HydrophobicContact CG2-CG2 4.26Å; V773-V775 HydrophobicContact CG1-CG2 4.19Å; V775-N779 VanDerWaalsContact CA-OD1 3.3Å; V775-N779 WeakPolarHBondContact CA-OD1 3.19Å; V775-N779 WeakPolarHBondContact CG1-OD1 3.3Å; V775-L780 HydrophobicContact CG1-CB 4.46Å; V775-L780 HydrophobicContact CG1-CD1 3.91Å; V775-Y783 HydrophobicContact CG1-CD2 4.17Å; V775-Y783 HydrophobicContact CG2-CD2 4.19Å; V775-Y783 HydrophobicContact CG2-CE2 4.14Å
776	S	92.1	Very high	87.9	Confident	37 Å²	37	66.5 Å²	66.5	26%	0.259	40%	0.401	S	S	.	.			trans	-102.9	176.3	176.9	70.8	0	0	0	0	110.9	D778 N779 L780	S776-D778 PolarHBondContact O-N 2.83Å; S776-D778 PolarHBondContact OG-N 3.41Å; S776-N779 PolarHBondContact N-OD1 3.49Å; S776-N779 PolarHBondContact O-OD1 2.83Å; S776-L780 WeakPolarHBondContact O-CB 3.48Å; S776-L780 PolarHBondContact O-N 3.19Å
777	S	89.5	Confident	87.8	Confident	39 Å²	39	62.7 Å²	62.7	27%	0.273	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-42.2	170.3	40.5	0	0	0	0	112.7	L780	S777-L780 WeakPolarHBondContact O-CB 3.38Å
778	D	89.1	Confident	87.5	Confident	125 Å²	125	64 Å²	64	67%	0.668	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-36.7	-163	-29.7	-47.6	0	0	0	111.4	S776	S776-D778 PolarHBondContact O-N 2.83Å; S776-D778 PolarHBondContact OG-N 3.41Å
779	N	90.8	Very high	87.4	Confident	38 Å²	38	63.9 Å²	63.9	20%	0.203	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-10.4	177.2	74.6	24.8	0	0	0	113.3	A774 V775 S776 H781 D782 Y783	A774-N779 PolarHBondContact O-ND2 2.9Å; V775-N779 VanDerWaalsContact CA-OD1 3.3Å; V775-N779 WeakPolarHBondContact CA-OD1 3.19Å; V775-N779 WeakPolarHBondContact CG1-OD1 3.3Å; S776-N779 PolarHBondContact N-OD1 3.49Å; S776-N779 PolarHBondContact O-OD1 2.83Å; N779-H781 PolarHBondContact O-N 3.24Å; N779-H781 VanDerWaalsContact O-N 3.14Å; N779-D782 WeakPolarHBondContact O-CB 3.48Å; N779-D782 PolarHBondContact O-N 3.39Å; N779-Y783 HydrophobicContact CB-CE2 4.33Å; N779-Y783 WeakPolarHBondContact O-CD2 3.39Å
780	L	90.6	Very high	86.8	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-54.4	-34.7	178.8	-176.8	66	0	0	0	112.9	L736 L737 Y741 V757 V775 S776 S777 D782 Y783 V784	L736-L780 HydrophobicContact CB-CD2 4.17Å; L736-L780 HydrophobicContact CD1-CD2 4.23Å; L736-L780 HydrophobicContact CD2-CD2 3.78Å; L736-L780 HydrophobicContact CG-CD2 4.27Å; L737-L780 HydrophobicContact CD1-CD1 4.2Å; L737-L780 HydrophobicContact CD2-CD1 4.19Å; L737-L780 HydrophobicContact CD2-CD2 4.33Å; L737-L780 HydrophobicContact CG-CD1 3.96Å; L737-L780 HydrophobicContact CG-CD2 3.95Å; Y741-L780 HydrophobicContact CE2-CD2 4.36Å; V757-L780 HydrophobicContact CG2-CD1 4.17Å; V775-L780 HydrophobicContact CG1-CB 4.46Å; V775-L780 HydrophobicContact CG1-CD1 3.91Å; S776-L780 WeakPolarHBondContact O-CB 3.48Å; S776-L780 PolarHBondContact O-N 3.19Å; S777-L780 WeakPolarHBondContact O-CB 3.38Å; L780-D782 VanDerWaalsContact C-N 3.3Å; L780-D782 PolarHBondContact O-N 3.34Å; L780-Y783 PolarHBondContact O-N 3.29Å; L780-Y783 VanDerWaalsContact O-N 3.15Å; L780-V784 HydrophobicContact CD1-CG2 3.57Å; L780-V784 HydrophobicContact CG-CG2 3.94Å; L780-V784 PolarHBondContact O-N 3.48Å
781	H	90	Very high	86	Confident	74 Å²	74	67 Å²	67	34%	0.343	39%	0.386	S	S	.	.	H	α-helix	trans	-64.6	-29.7	179.8	-60.9	-42.6	0	0	0	113.2	Y741 N779 Y783 G785	Y741-H781 PolarHBondContact OH-ND1 3.24Å; N779-H781 PolarHBondContact O-N 3.24Å; N779-H781 VanDerWaalsContact O-N 3.14Å; H781-Y783 VanDerWaalsContact C-N 3.31Å; H781-Y783 PolarHBondContact O-N 3.38Å; H781-G785 CarbonylContact O-C 3.57Å; H781-G785 WeakPolarHBondContact O-CA 3.46Å; H781-G785 PolarHBondContact O-N 3.26Å
782	D	89.2	Confident	85.2	Confident	118 Å²	118	62.2 Å²	62.2	63%	0.631	36%	0.36	S	S	*	.	H	α-helix	trans	-67.8	-35.5	174.7	-65.5	-26.9	0	0	0	111.1	K760 N779 L780	K760-D782 PolarHBondContact NZ-O 3.11Å; N779-D782 WeakPolarHBondContact O-CB 3.48Å; N779-D782 PolarHBondContact O-N 3.39Å; L780-D782 VanDerWaalsContact C-N 3.3Å; L780-D782 PolarHBondContact O-N 3.34Å
783	Y	90.8	Very high	84.4	Confident	9 Å²	9	61.7 Å²	61.7	4%	0.035	35%	0.347	C	S	.	.	H	α-helix	trans	-79.9	-52.7	179.8	-59.7	-71.2	0	0	0	111.5	K760 V761 H764 V773 V775 N779 L780 H781	K760-Y783 HydrophobicContact CB-CD1 3.91Å; K760-Y783 HydrophobicContact CD-CD1 4.3Å; K760-Y783 VanDerWaalsContact CD-O 3.23Å; K760-Y783 WeakPolarHBondContact CD-O 3.16Å; K760-Y783 WeakPolarHBondContact CE-O 3.33Å; K760-Y783 PolarHBondContact NZ-O 2.9Å; V761-Y783 HydrophobicContact CG2-CD1 4.26Å; V761-Y783 HydrophobicContact CG2-CE1 4.01Å; H764-Y783 AromaticContact CD2-CE1 3.98Å; V773-Y783 HydrophobicContact CG1-CE2 4.45Å; V773-Y783 VanDerWaalsContact CG1-OH 3.3Å; V773-Y783 WeakPolarHBondContact CG1-OH 3.49Å; V775-Y783 HydrophobicContact CG1-CD2 4.17Å; V775-Y783 HydrophobicContact CG2-CD2 4.19Å; V775-Y783 HydrophobicContact CG2-CE2 4.14Å; N779-Y783 HydrophobicContact CB-CE2 4.33Å; N779-Y783 WeakPolarHBondContact O-CD2 3.39Å; L780-Y783 PolarHBondContact O-N 3.29Å; L780-Y783 VanDerWaalsContact O-N 3.15Å; H781-Y783 VanDerWaalsContact C-N 3.31Å; H781-Y783 PolarHBondContact O-N 3.38Å
784	V	90.6	Very high	83.6	Confident	10 Å²	10	66.4 Å²	66.4	6%	0.061	37%	0.37	C	S	.	.	H	α-helix	trans	-88.3	-28.5	-172.6	-164.7	0	0	0	0	112.6	L737 Y741 K756 V757 L780	L737-V784 HydrophobicContact CD2-CG1 4.39Å; L737-V784 HydrophobicContact CD2-CG2 3.81Å; Y741-V784 HydrophobicContact CD1-CB 4.3Å; Y741-V784 HydrophobicContact CD1-CG1 3.38Å; Y741-V784 HydrophobicContact CE1-CB 3.8Å; Y741-V784 HydrophobicContact CE1-CG1 3.34Å; Y741-V784 HydrophobicContact CG-CG1 4.1Å; K756-V784 WeakPolarHBondContact CE-O 3.25Å; K756-V784 PolarHBondContact NZ-O 3.05Å; V757-V784 HydrophobicContact CG2-CG2 3.66Å; L780-V784 HydrophobicContact CD1-CG2 3.57Å; L780-V784 HydrophobicContact CG-CG2 3.94Å; L780-V784 PolarHBondContact O-N 3.48Å
785	G	88.9	Confident	83.1	Confident	28 Å²	28	66.4 Å²	66.4	29%	0.289	36%	0.356	S	S	.	.			trans	96.7	-173.6	-165.9	0	0	0	0	0	111.8	Y741 H781	Y741-G785 PolarHBondContact OH-O 2.77Å; H781-G785 CarbonylContact O-C 3.57Å; H781-G785 WeakPolarHBondContact O-CA 3.46Å; H781-G785 PolarHBondContact O-N 3.26Å
786	K	89.2	Confident	82.5	Confident	186 Å²	186	72.7 Å²	72.7	81%	0.809	39%	0.39	S	S	*	.	S	Bend	trans	-59.9	151.4	178.1	-64.8	-174.4	178.5	-175.3	0	111.9	Y741	Y741-K786 VanDerWaalsContact CE1-O 3.27Å; Y741-K786 WeakPolarHBondContact CE1-O 3.46Å
787	P	86.9	Confident	82.2	Confident	47 Å²	47	75.9 Å²	75.9	31%	0.305	41%	0.408	S	S	.	.			trans	-49.6	141.4	171.9	-30.5	38.7	0	0	0	112.7	Q740 T790	Q740-P787 HydrophobicContact CB-CB 4.22Å; P787-T790 HydrophobicContact CB-CG2 4.25Å
788	V	84.6	Confident	82.2	Confident	96 Å²	96	74.5 Å²	74.5	58%	0.582	40%	0.397	S	S	*	.	S	Bend	trans	-94.2	-32.7	178	-179.5	0	0	0	0	111	Q740 Y741	Q740-V788 PolarHBondContact O-N 3.26Å; Y741-V788 HydrophobicContact CD1-CG2 3.94Å
789	F	81	Confident	82.4	Confident	66 Å²	66	71 Å²	71	29%	0.289	38%	0.382	S	S	.	.			trans	-122.8	121.6	179.9	-53.6	-72.1	0	0	0	110	Q740 R743	Q740-F789 PolarHBondContact O-N 2.83Å; R743-F789 HydrophobicContact CB-CD1 4.23Å; R743-F789 HydrophobicContact CB-CD2 4.05Å; R743-F789 HydrophobicContact CB-CE1 3.91Å; R743-F789 HydrophobicContact CB-CE2 3.72Å; R743-F789 HydrophobicContact CB-CG 4.3Å; R743-F789 HydrophobicContact CB-CZ 3.64Å
790	T	66.1	Low	82.5	Confident	114 Å²	114	71.3 Å²	71.3	70%	0.699	39%	0.386	S	S	*	.			trans	-118.3	86.7	-179.5	52	0	0	0	0	109.8	P787	P787-T790 HydrophobicContact CB-CG2 4.25Å
791	V	61	Low	82.5	Confident	128 Å²	128	71.3 Å²	71.3	78%	0.776	39%	0.386	S	S	*	.			trans	56.5	142.1	-178.6	-65.8	0	0	0	0	117.6	R793	V791-R793 VanDerWaalsContact C-N 3.32Å
792	D	63.1	Low	82.7	Confident	42 Å²	42	68.2 Å²	68.2	23%	0.225	37%	0.372	C	S	.	.	S	Bend	trans	-81.8	-9.2	174.5	-80.9	-0.9	0	0	0	112.9	R941 A942	D792-R941 IonicContact OD2-CZ 3.64Å; D792-R941 IonicContact OD2-NE 3.31Å; D792-R941 PolarHBondContact OD2-NE 2.87Å; D792-R941 IonicContact OD2-NH2 2.65Å; D792-R941 PolarHBondContact OD2-NH2 3.19Å; D792-A942 HydrophobicContact CB-CB 4.49Å
793	R	69.3	Low	83	Confident	61 Å²	61	62.7 Å²	62.7	23%	0.23	34%	0.342	C	S	.	.			trans	-92.5	112.4	-176.1	-171.1	178.5	-168.6	126.9	-7.1	110.2	V791 Y795 D796 F817 N913	V791-R793 VanDerWaalsContact C-N 3.32Å; R793-Y795 VanDerWaalsContact CG-O 3.27Å; R793-Y795 WeakPolarHBondContact CG-O 3.3Å; R793-Y795 PolarHBondContact NE-O 2.87Å; R793-D796 PolarHBondContact NH2-O 2.93Å; R793-F817 HydrophobicContact CG-CZ 4.43Å; R793-N913 VanDerWaalsContact CZ-OD1 3.31Å; R793-N913 PolarHBondContact NH1-OD1 3.1Å; R793-N913 PolarHBondContact NH2-OD1 3.33Å
794	M	71.9	Confident	83	Confident	106 Å²	106	62.6 Å²	62.6	52%	0.522	34%	0.342	S	S	.	.	S	Bend	trans	-83.8	-26	179.1	-174.1	165.5	160.3	0	0	113.2	F817 E819 P882	M794-F817 HydrophobicContact CB-CD2 3.71Å; M794-F817 HydrophobicContact CB-CE2 3.64Å; M794-F817 HydrophobicContact CB-CG 4.42Å; M794-F817 HydrophobicContact CB-CZ 4.27Å; M794-E819 VanDerWaalsContact CE-OE1 3.25Å; M794-E819 WeakPolarHBondContact CE-OE1 3.3Å; M794-P882 HydrophobicContact SD-CG 4.49Å
795	Y	79.6	Confident	83.1	Confident	66 Å²	66	62.3 Å²	62.3	26%	0.259	34%	0.341	S	S	.	.			trans	-131.9	124.1	-179.1	-66.1	-83	0	0	0	111.1	R793 V802 F817 E819	R793-Y795 VanDerWaalsContact CG-O 3.27Å; R793-Y795 WeakPolarHBondContact CG-O 3.3Å; R793-Y795 PolarHBondContact NE-O 2.87Å; Y795-V802 HydrophobicContact CD2-CG1 4.04Å; Y795-V802 HydrophobicContact CE2-CG1 3.93Å; Y795-F817 HydrophobicContact CD2-CB 4.42Å; Y795-F817 AromaticContact CD2-CD1 3.75Å; Y795-F817 HydrophobicContact CD2-CD1 3.75Å; Y795-F817 HydrophobicContact CD2-CE1 4.13Å; Y795-F817 HydrophobicContact CD2-CG 4.01Å; Y795-F817 HydrophobicContact CE2-CB 4.39Å; Y795-F817 HydrophobicContact CE2-CG 4.43Å; Y795-E819 PolarHBondContact OH-OE1 3.16Å
796	D	78.8	Confident	83.1	Confident	137 Å²	137	61.3 Å²	61.3	73%	0.733	33%	0.329	S	S	*	.	S	Bend	trans	-68.1	-42.1	172.3	-72.4	-39.5	0	0	0	111.5	R793	R793-D796 PolarHBondContact NH2-O 2.93Å
797	V	86.1	Confident	83	Confident	104 Å²	104	53.3 Å²	53.3	63%	0.63	30%	0.298	S	S	*	.	S	Bend	trans	-123.3	127.2	170	-179.5	0	0	0	0	108.3	P799	V797-P799 WeakPolarHBondContact O-CD 3.45Å
798	T	89.3	Confident	82.8	Confident	9 Å²	9	59 Å²	59	6%	0.055	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-76.3	123	177.7	54.5	0	0	0	0	111.4	F817 S909 V910 Q912	T798-F817 HydrophobicContact CG2-CD1 4.4Å; T798-F817 HydrophobicContact CG2-CE1 4.23Å; T798-S909 WeakPolarHBondContact O-CB 3.35Å; T798-V910 VanDerWaalsContact OG1-CG2 3.32Å; T798-V910 WeakPolarHBondContact OG1-CG2 3.45Å; T798-Q912 PolarHBondContact OG1-NE2 2.94Å; T798-Q912 PolarHBondContact OG1-OE1 2.89Å
799	P	92.1	Very high	82.3	Confident	52 Å²	52	56.4 Å²	56.4	34%	0.338	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-72.7	165.6	174	30.7	-35	0	0	0	111.7	V797 G801 V802	V797-P799 WeakPolarHBondContact O-CD 3.45Å; P799-G801 PolarHBondContact O-N 2.8Å; P799-V802 HydrophobicContact CG-CB 4.04Å; P799-V802 HydrophobicContact CG-CG2 3.71Å; P799-V802 PolarHBondContact O-N 3.16Å; P799-V802 VanDerWaalsContact O-N 3.11Å
800	P	93.3	Very high	81.4	Confident	45 Å²	45	58.1 Å²	58.1	29%	0.292	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	138.5	170	-22.6	33.1	0	0	0	111.4	V802 S903	P800-V802 VanDerWaalsContact C-N 3.33Å; P800-S903 WeakPolarHBondContact CA-OG 3.49Å
801	G	91.3	Very high	81.3	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.7	-3.4	-174.5	0	0	0	0	0	115.4	P799 T820 S903	P799-G801 PolarHBondContact O-N 2.8Å; G801-T820 WeakPolarHBondContact CA-OG1 3.47Å; G801-T820 PolarHBondContact O-N 3.41Å; G801-T820 PolarHBondContact O-OG1 3.06Å; G801-S903 PolarHBondContact N-OG 2.84Å
802	V	94.4	Very high	81.8	Confident	9 Å²	9	52.4 Å²	52.4	6%	0.055	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	124.2	179.8	-176.7	0	0	0	0	111.7	Y795 P799 P800 F817 I818 E819	Y795-V802 HydrophobicContact CD2-CG1 4.04Å; Y795-V802 HydrophobicContact CE2-CG1 3.93Å; P799-V802 HydrophobicContact CG-CB 4.04Å; P799-V802 HydrophobicContact CG-CG2 3.71Å; P799-V802 PolarHBondContact O-N 3.16Å; P799-V802 VanDerWaalsContact O-N 3.11Å; P800-V802 VanDerWaalsContact C-N 3.33Å; V802-F817 HydrophobicContact CG1-CB 4.12Å; V802-F817 HydrophobicContact CG1-CD1 4.19Å; V802-I818 WeakPolarHBondContact CA-O 3.27Å; V802-E819 HydrophobicContact CG1-CG 4.17Å; V802-E819 HydrophobicContact CG2-CB 4.37Å; V802-E819 HydrophobicContact CG2-CG 4.03Å
803	V	94.3	Very high	82.5	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.006	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	136.2	-174	-175.9	0	0	0	0	111.5	F817 I818 T899 A900 V910 M916	V803-F817 WeakPolarHBondContact O-CA 3.29Å; V803-I818 PolarHBondContact N-O 3.02Å; V803-I818 PolarHBondContact O-N 3.01Å; V803-T899 HydrophobicContact CG1-CG2 4Å; V803-T899 HydrophobicContact CG2-CG2 3.84Å; V803-A900 HydrophobicContact CB-CB 4.34Å; V803-A900 HydrophobicContact CG2-CB 3.84Å; V803-V910 HydrophobicContact CG2-CG1 3.82Å; V803-V910 HydrophobicContact CG2-CG2 4.38Å; V803-M916 HydrophobicContact CG1-CE 3.77Å; V803-M916 HydrophobicContact CG1-SD 4.39Å
804	M	91.9	Very high	83	Confident	7 Å²	7	48 Å²	48	3%	0.034	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	126.5	176.3	-161.5	-170.3	-58.2	0	0	111.7	T815 L816 F817 A915 M916 V944	M804-T815 HydrophobicContact SD-CG2 3.88Å; M804-L816 CarbonylContact C-O 3.6Å; M804-L816 WeakPolarHBondContact CA-O 3.43Å; M804-F817 HydrophobicContact CB-CD1 4.48Å; M804-F817 HydrophobicContact CB-CE1 4.36Å; M804-F817 HydrophobicContact CE-CE1 3.89Å; M804-F817 HydrophobicContact CE-CZ 3.81Å; M804-F817 HydrophobicContact CG-CE1 4.31Å; M804-F817 HydrophobicContact CG-CZ 4.44Å; M804-A915 HydrophobicContact CB-CB 4.28Å; M804-A915 HydrophobicContact CG-CB 4.14Å; M804-A915 WeakPolarHBondContact O-CA 3.33Å; M804-A915 HydrophobicContact SD-CB 3.92Å; M804-M916 PolarHBondContact O-N 3.45Å; M804-V944 HydrophobicContact CE-CG2 4.21Å; M804-V944 HydrophobicContact SD-CG2 3.47Å; M804-V944 WeakPolarHBondContact SD-CG2 3.24Å
805	G	91.6	Very high	83.7	Confident	4 Å²	4	43.4 Å²	43.4	4%	0.041	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	158.9	175.4	0	0	0	0	0	113.5	T815 L816 T896 M916	G805-T815 WeakPolarHBondContact O-CA 3.48Å; G805-L816 PolarHBondContact N-O 2.95Å; G805-L816 PolarHBondContact O-N 3.15Å; G805-T896 VanDerWaalsContact CA-CG2 3.49Å; G805-M916 WeakPolarHBondContact CA-O 3.5Å
806	L	90.6	Very high	84.1	Confident	7 Å²	7	41.1 Å²	41.1	4%	0.037	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	111.1	179.7	-55.6	175.1	0	0	0	111	T815 A915 M916 K935 A939 M947	L806-T815 HydrophobicContact CD2-CG2 3.8Å; L806-A915 HydrophobicContact CD1-CB 4.13Å; L806-A915 HydrophobicContact CD2-CB 3.72Å; L806-A915 HydrophobicContact CG-CB 3.84Å; L806-M916 PolarHBondContact N-O 2.86Å; L806-K935 HydrophobicContact CB-CB 3.97Å; L806-K935 HydrophobicContact CB-CD 4.2Å; L806-K935 HydrophobicContact CB-CG 3.95Å; L806-K935 HydrophobicContact CD1-CB 4.29Å; L806-K935 VanDerWaalsContact O-CE 3.27Å; L806-K935 WeakPolarHBondContact O-CE 3.24Å; L806-A939 HydrophobicContact CD1-CB 4.03Å; L806-A939 HydrophobicContact CD2-CB 3.82Å; L806-M947 HydrophobicContact CD1-CE 3.32Å; L806-M947 HydrophobicContact CD1-CG 3.92Å; L806-M947 HydrophobicContact CD1-SD 3.47Å; L806-M947 WeakPolarHBondContact CD1-SD 3.35Å
807	A	86.1	Confident	84.7	Confident	19 Å²	19	34.9 Å²	34.9	16%	0.157	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	150.7	177	0	0	0	0	0	111.7	G813 S814 L816	A807-G813 WeakPolarHBondContact O-CA 3.45Å; A807-S814 PolarHBondContact N-O 3.16Å; A807-S814 PolarHBondContact O-N 3.03Å; A807-L816 HydrophobicContact CB-CD1 3.6Å; A807-L816 HydrophobicContact CB-CD2 4.46Å; A807-L816 HydrophobicContact CB-CG 3.75Å
808	W	81.8	Confident	85	Confident	165 Å²	165	30.1 Å²	30.1	63%	0.625	18%	0.177	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-103.3	135.9	166.9	-177.6	73.1	0	0	0	108.6
809	T	74.1	Confident	85.2	Confident	42 Å²	42	31.4 Å²	31.4	26%	0.258	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	164.5	-179.5	76.8	0	0	0	0	109.8	L811 G812	T809-L811 PolarHBondContact O-N 3.02Å; T809-L811 PolarHBondContact OG1-N 3.2Å; T809-G812 PolarHBondContact N-O 3.17Å; T809-G812 PolarHBondContact O-N 3.28Å; T809-G812 PolarHBondContact OG1-O 3.4Å
810	A	63.9	Low	85.2	Confident	103 Å²	103	29.4 Å²	29.4	85%	0.851	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-15.5	175.4	0	0	0	0	0	114.6
811	L	62.5	Low	85.2	Confident	113 Å²	113	30.7 Å²	30.7	59%	0.592	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-7.6	174.4	-61.9	178.4	0	0	0	113.3	S745 T809	S745-L811 PolarHBondContact OG-O 3.44Å; T809-L811 PolarHBondContact O-N 3.02Å; T809-L811 PolarHBondContact OG1-N 3.2Å
812	G	72	Confident	85.2	Confident	8 Å²	8	33.7 Å²	33.7	8%	0.082	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	116.9	-164.2	-170.7	0	0	0	0	0	112	T809	T809-G812 PolarHBondContact N-O 3.17Å; T809-G812 PolarHBondContact O-N 3.28Å; T809-G812 PolarHBondContact OG1-O 3.4Å
813	G	77	Confident	84.6	Confident	9 Å²	9	35.8 Å²	35.8	9%	0.093	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	141.4	179.8	0	0	0	0	0	113.3	A807 A938 R941	A807-G813 WeakPolarHBondContact O-CA 3.45Å; G813-A938 WeakPolarHBondContact O-CB 3.48Å; G813-R941 PolarHBondContact O-NH1 3.21Å; G813-R941 PolarHBondContact O-NH2 3.47Å; G813-R941 VanDerWaalsContact O-NH2 3.12Å
814	S	80.9	Confident	83.7	Confident	2 Å²	2	42.3 Å²	42.3	1%	0.014	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	139.1	177.1	-150.5	0	0	0	0	110.8	R743 A807	R743-S814 PolarHBondContact NH2-OG 2.7Å; A807-S814 PolarHBondContact N-O 3.16Å; A807-S814 PolarHBondContact O-N 3.03Å
815	T	86.4	Confident	82.5	Confident	9 Å²	9	47.3 Å²	47.3	6%	0.055	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	126.4	167.4	45.6	0	0	0	0	109.4	M804 G805 L806 A942	M804-T815 HydrophobicContact SD-CG2 3.88Å; G805-T815 WeakPolarHBondContact O-CA 3.48Å; L806-T815 HydrophobicContact CD2-CG2 3.8Å; T815-A942 HydrophobicContact CG2-CB 3.58Å
816	L	87.8	Confident	80.9	Confident	18 Å²	18	52.4 Å²	52.4	9%	0.094	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	153.2	174.7	-54.7	-169.7	0	0	0	109.6	M804 G805 A807 V881 E883 K888	M804-L816 CarbonylContact C-O 3.6Å; M804-L816 WeakPolarHBondContact CA-O 3.43Å; G805-L816 PolarHBondContact N-O 2.95Å; G805-L816 PolarHBondContact O-N 3.15Å; A807-L816 HydrophobicContact CB-CD1 3.6Å; A807-L816 HydrophobicContact CB-CD2 4.46Å; A807-L816 HydrophobicContact CB-CG 3.75Å; L816-V881 HydrophobicContact CD1-CG1 3.94Å; L816-E883 WeakPolarHBondContact CD2-OE2 3.44Å; L816-K888 HydrophobicContact CD1-CD 3.93Å
817	F	90.8	Very high	79.2	Confident	6 Å²	6	55.5 Å²	55.5	3%	0.026	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	115.9	166.5	-65.1	-94	0	0	0	106.7	R793 M794 Y795 T798 V802 V803 M804 P882	R793-F817 HydrophobicContact CG-CZ 4.43Å; M794-F817 HydrophobicContact CB-CD2 3.71Å; M794-F817 HydrophobicContact CB-CE2 3.64Å; M794-F817 HydrophobicContact CB-CG 4.42Å; M794-F817 HydrophobicContact CB-CZ 4.27Å; Y795-F817 HydrophobicContact CD2-CB 4.42Å; Y795-F817 AromaticContact CD2-CD1 3.75Å; Y795-F817 HydrophobicContact CD2-CD1 3.75Å; Y795-F817 HydrophobicContact CD2-CE1 4.13Å; Y795-F817 HydrophobicContact CD2-CG 4.01Å; Y795-F817 HydrophobicContact CE2-CB 4.39Å; Y795-F817 HydrophobicContact CE2-CG 4.43Å; T798-F817 HydrophobicContact CG2-CD1 4.4Å; T798-F817 HydrophobicContact CG2-CE1 4.23Å; V802-F817 HydrophobicContact CG1-CB 4.12Å; V802-F817 HydrophobicContact CG1-CD1 4.19Å; V803-F817 WeakPolarHBondContact O-CA 3.29Å; M804-F817 HydrophobicContact CB-CD1 4.48Å; M804-F817 HydrophobicContact CB-CE1 4.36Å; M804-F817 HydrophobicContact CE-CE1 3.89Å; M804-F817 HydrophobicContact CE-CZ 3.81Å; M804-F817 HydrophobicContact CG-CE1 4.31Å; M804-F817 HydrophobicContact CG-CZ 4.44Å; F817-P882 WeakPolarHBondContact O-CD 3.34Å; F817-P882 WeakPolarHBondContact O-CG 3.47Å
818	I	92.3	Very high	77.7	Confident	4 Å²	4	56.9 Å²	56.9	2%	0.021	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	123.1	171	-59	-167.4	0	0	0	106.7	V802 V803 L879 A893 T896 I897 A900	V802-I818 WeakPolarHBondContact CA-O 3.27Å; V803-I818 PolarHBondContact N-O 3.02Å; V803-I818 PolarHBondContact O-N 3.01Å; I818-L879 HydrophobicContact CG2-CD1 4.02Å; I818-L879 HydrophobicContact CG2-CD2 4.32Å; I818-L879 HydrophobicContact CG2-CG 4.09Å; I818-A893 HydrophobicContact CD1-CB 4.08Å; I818-T896 VanDerWaalsContact CD1-OG1 3.25Å; I818-T896 WeakPolarHBondContact CD1-OG1 3.19Å; I818-I897 HydrophobicContact CD1-CG1 3.74Å; I818-I897 HydrophobicContact CG2-CG1 4.39Å; I818-A900 HydrophobicContact CG2-CB 4.28Å
819	E	93.5	Very high	76.1	Confident	37 Å²	37	54.4 Å²	54.4	17%	0.173	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	129.6	-175.5	-64.3	167	-167.7	0	0	108.7	M794 Y795 V802 L879 H880	M794-E819 VanDerWaalsContact CE-OE1 3.25Å; M794-E819 WeakPolarHBondContact CE-OE1 3.3Å; Y795-E819 PolarHBondContact OH-OE1 3.16Å; V802-E819 HydrophobicContact CG1-CG 4.17Å; V802-E819 HydrophobicContact CG2-CB 4.37Å; V802-E819 HydrophobicContact CG2-CG 4.03Å; E819-L879 WeakPolarHBondContact O-CA 3.46Å; E819-H880 HydrophobicContact CB-CB 4.31Å; E819-H880 PolarHBondContact N-O 2.87Å; E819-H880 PolarHBondContact O-N 2.78Å; E819-H880 IonicContact OE2-CD2 3.55Å
820	T	93.9	Very high	75	Confident	10 Å²	10	60.6 Å²	60.6	6%	0.061	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	135.5	170.8	57.2	0	0	0	0	110.5	G801 H878 L879 A900 L901	G801-T820 WeakPolarHBondContact CA-OG1 3.47Å; G801-T820 PolarHBondContact O-N 3.41Å; G801-T820 PolarHBondContact O-OG1 3.06Å; T820-H878 CarbonylContact C-O 3.59Å; T820-H878 VanDerWaalsContact CA-O 3.29Å; T820-H878 WeakPolarHBondContact CA-O 3.45Å; T820-L879 HydrophobicContact CG2-CB 4.36Å; T820-L879 HydrophobicContact CG2-CD1 3.97Å; T820-L879 HydrophobicContact CG2-CG 4.18Å; T820-A900 HydrophobicContact CG2-CB 3.76Å; T820-A900 PolarHBondContact OG1-O 3.45Å; T820-A900 VanDerWaalsContact OG1-O 3.08Å; T820-L901 HydrophobicContact CG2-CD2 3.89Å; T820-L901 HydrophobicContact CG2-CG 4.26Å
821	S	92.9	Very high	74.4	Confident	71 Å²	71	59.3 Å²	59.3	50%	0.497	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	160.2	-177	-170.8	0	0	0	0	111.3	L877 H878	S821-L877 WeakPolarHBondContact O-CA 3.32Å; S821-H878 PolarHBondContact N-O 3.37Å; S821-H878 PolarHBondContact O-N 2.92Å
822	L	90.6	Very high	74	Confident	63 Å²	63	64 Å²	64	33%	0.33	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	115.8	178.7	-178.7	67.7	0	0	0	109.8	R824 F871 L877	L822-R824 WeakPolarHBondContact CD1-O 3.36Å; L822-R824 VanDerWaalsContact CG-O 3.26Å; L822-R824 WeakPolarHBondContact CG-O 3.33Å; L822-F871 HydrophobicContact CD1-CE2 4.3Å; L822-F871 HydrophobicContact CD1-CZ 4.06Å; L822-L877 HydrophobicContact CD1-CD2 4.16Å
823	C	81.2	Confident	73.5	Confident	53 Å²	53	65.7 Å²	65.7	36%	0.358	40%	0.403	S	S	.	.	S	Bend	trans	-71.1	-31.8	-179.2	-59.5	0	0	0	0	113.2	H876 L877 H878	C823-H876 HydrophobicContact CB-CB 4.07Å; C823-H876 PolarHBondContact N-O 3.4Å; C823-L877 VanDerWaalsContact SG-C 3.53Å; C823-H878 PolarHBondContact SG-N 3Å; C823-H878 VanDerWaalsContact SG-N 3.42Å
824	R	75.4	Confident	73.4	Confident	138 Å²	138	72 Å²	72	52%	0.521	43%	0.43	S	S	.	.	S	Bend	trans	-141.4	132.8	-173.9	-60.6	-175.4	-174.7	177.2	-3.4	110.3	L822 H876	L822-R824 WeakPolarHBondContact CD1-O 3.36Å; L822-R824 VanDerWaalsContact CG-O 3.26Å; L822-R824 WeakPolarHBondContact CG-O 3.33Å; R824-H876 HydrophobicContact CG-CB 4.42Å
825	P	66.7	Low	73.3	Confident	112 Å²	112	72.2 Å²	72.2	73%	0.727	43%	0.432	S	S	*	.			trans	-64.9	137.1	177.4	27.6	-34.2	0	0	0	111.3	G827	P825-G827 PolarHBondContact O-N 3.3Å
826	Q	59.7	Low	73.3	Confident	112 Å²	112	74.8 Å²	74.8	52%	0.523	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	127.5	166.4	-78.5	178.1	-36.6	0	0	109.1	S874	Q826-S874 PolarHBondContact NE2-OG 2.97Å
827	G	53.8	Low	73.4	Confident	72 Å²	72	76.1 Å²	76.1	74%	0.742	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	138.8	-12.1	178.9	0	0	0	0	0	115.8	P825	P825-G827 PolarHBondContact O-N 3.3Å
828	G	53.7	Low	73.5	Confident	47 Å²	47	80.7 Å²	80.7	49%	0.485	48%	0.476	S	S	.	.	S	Bend	trans	-66.2	151.9	170.8	0	0	0	0	0	112.6	E830 A831	G828-E830 PolarHBondContact O-N 2.99Å; G828-A831 WeakPolarHBondContact O-CB 3.11Å; G828-A831 PolarHBondContact O-N 3Å; G828-A831 VanDerWaalsContact O-N 3.13Å
829	A	49.1	Very low	73.4	Confident	114 Å²	114	82.9 Å²	82.9	94%	0.942	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-13.7	-179.4	0	0	0	0	0	114.4
830	E	51.7	Low	73.2	Confident	171 Å²	171	83.5 Å²	83.5	80%	0.799	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	13.9	177.9	-57.8	-175.1	147.6	0	0	113.8	G828 K832	G828-E830 PolarHBondContact O-N 2.99Å; E830-K832 PolarHBondContact O-N 3.25Å
831	A	51.4	Low	72.8	Confident	76 Å²	76	83.4 Å²	83.4	63%	0.628	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	31.7	-179	0	0	0	0	0	115.5	G828	G828-A831 WeakPolarHBondContact O-CB 3.11Å; G828-A831 PolarHBondContact O-N 3Å; G828-A831 VanDerWaalsContact O-N 3.13Å
832	K	52.9	Low	72.5	Confident	212 Å²	212	85.3 Å²	85.3	92%	0.922	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.7	19.3	174.7	-65.9	-173.6	176.6	-178.5	0	112.8	E830	E830-K832 PolarHBondContact O-N 3.25Å
833	G	61.9	Low	72.3	Confident	44 Å²	44	83.1 Å²	83.1	45%	0.454	49%	0.487	S	S	.	.	S	Bend	trans	-89	160.4	170.6	0	0	0	0	0	112.7
834	E	75.1	Confident	72.6	Confident	142 Å²	142	81.5 Å²	81.5	66%	0.664	48%	0.479	S	S	*	.	P	Polyproline II helix	trans	-73.7	135.5	163.4	-165.1	-168.9	155.9	0	0	109.5	T836 R859	E834-T836 PolarHBondContact O-N 2.64Å; E834-R859 IonicContact OE1-CZ 3.28Å; E834-R859 IonicContact OE1-NH1 3.24Å; E834-R859 PolarHBondContact OE1-NH1 3.01Å
835	G	77.8	Confident	73.3	Confident	5 Å²	5	80.3 Å²	80.3	5%	0.052	48%	0.483	C	S	.	.	P	Polyproline II helix	trans	-63.3	131.7	177.6	0	0	0	0	0	112.5	R859 V873 S875	G835-R859 PolarHBondContact O-NH2 2.87Å; G835-V873 WeakPolarHBondContact CA-O 3.48Å; G835-V873 PolarHBondContact N-O 2.86Å; G835-S875 CarbonylContact C-O 3.52Å; G835-S875 WeakPolarHBondContact CA-O 3.44Å
836	T	87.8	Confident	74.4	Confident	63 Å²	63	78.3 Å²	78.3	39%	0.387	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-95.9	155.4	177.4	60.7	0	0	0	0	111.7	E834 H876 L877	E834-T836 PolarHBondContact O-N 2.64Å; T836-H876 PolarHBondContact OG1-ND1 3.34Å; T836-L877 PolarHBondContact O-N 2.93Å
837	L	89.5	Confident	75.9	Confident	46 Å²	46	73.4 Å²	73.4	24%	0.241	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	109	169.9	-178.1	66.1	0	0	0	109.8	V839 L877 L879 L901	L837-V839 HydrophobicContact CD2-CG2 4.15Å; L837-V839 HydrophobicContact CG-CG2 3.9Å; L837-L877 WeakPolarHBondContact CA-O 3.47Å; L837-L877 HydrophobicContact CD1-CB 3.89Å; L837-L879 HydrophobicContact CD1-CB 4.06Å; L837-L901 HydrophobicContact CD1-CD2 4.44Å
838	E	91.8	Very high	77.6	Confident	102 Å²	102	74 Å²	74	48%	0.477	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	135.6	170.9	-69.4	176.6	-160.2	0	0	109.4	L877 H878 L879	E838-L877 PolarHBondContact N-O 3.27Å; E838-H878 CarbonylContact O-C 3.5Å; E838-L879 PolarHBondContact O-N 3.06Å
839	V	92	Very high	79.5	Confident	50 Å²	50	77.6 Å²	77.6	30%	0.303	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	125.3	-169.7	-179.4	0	0	0	0	110.1	L837 L843 A851 L879	L837-V839 HydrophobicContact CD2-CG2 4.15Å; L837-V839 HydrophobicContact CG-CG2 3.9Å; V839-L843 HydrophobicContact CG1-CD1 3.38Å; V839-L843 HydrophobicContact CG1-CG 4.37Å; V839-A851 HydrophobicContact CG2-CB 4.39Å; V839-L879 WeakPolarHBondContact CA-O 3.25Å; V839-L879 HydrophobicContact CG1-CD2 4.24Å
840	T	88.7	Confident	81.6	Confident	50 Å²	50	72.4 Å²	72.4	31%	0.307	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	161.4	-175.7	60.1	0	0	0	0	112.7	H878 L879 H880 V881	T840-H878 WeakPolarHBondContact CB-NE2 3.24Å; T840-H878 WeakPolarHBondContact CG2-NE2 3.32Å; T840-H878 PolarHBondContact OG1-NE2 3.25Å; T840-L879 PolarHBondContact N-O 3.25Å; T840-L879 PolarHBondContact OG1-O 2.86Å; T840-H880 PolarHBondContact OG1-ND1 3.46Å; T840-V881 PolarHBondContact O-N 2.86Å
841	G	85.6	Confident	83.6	Confident	8 Å²	8	64.3 Å²	64.3	8%	0.082	35%	0.351	C	S	.	.	S	Bend	trans	125.6	22.1	-178.4	0	0	0	0	0	115.9	L843 V881	G841-L843 VanDerWaalsContact C-N 3.32Å; G841-L843 PolarHBondContact O-N 2.87Å; G841-V881 WeakPolarHBondContact CA-O 3.11Å
842	Q	86	Confident	85.5	Confident	112 Å²	112	67.6 Å²	67.6	52%	0.523	35%	0.351	S	S	.	.	S	Bend	trans	53.3	46.6	-170.8	-64.1	-169.2	-13.4	0	0	113.1	G884 K888	Q842-G884 WeakPolarHBondContact CG-O 3.36Å; Q842-G884 PolarHBondContact NE2-O 3.48Å; Q842-G884 PolarHBondContact OE1-O 3.12Å; Q842-K888 PolarHBondContact O-N 3.2Å; Q842-K888 VanDerWaalsContact O-N 3.12Å
843	L	86.9	Confident	87.5	Confident	17 Å²	17	59.6 Å²	59.6	9%	0.089	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-76.1	137.9	177.7	-53.2	-169.4	0	0	0	110.8	V839 G841 M847 K848 L879 V881 K888	V839-L843 HydrophobicContact CG1-CD1 3.38Å; V839-L843 HydrophobicContact CG1-CG 4.37Å; G841-L843 VanDerWaalsContact C-N 3.32Å; G841-L843 PolarHBondContact O-N 2.87Å; L843-M847 HydrophobicContact CB-CB 4.19Å; L843-M847 HydrophobicContact CB-CG 3.88Å; L843-M847 HydrophobicContact CD1-CE 4.08Å; L843-M847 HydrophobicContact CD1-CG 3.72Å; L843-M847 HydrophobicContact CD2-CE 4.4Å; L843-M847 HydrophobicContact CD2-CG 3.95Å; L843-M847 HydrophobicContact CG-CG 4.04Å; L843-K848 HydrophobicContact CB-CG 4.48Å; L843-K848 WeakPolarHBondContact O-CE 3.47Å; L843-L879 HydrophobicContact CD1-CD2 4.5Å; L843-V881 HydrophobicContact CD1-CG2 4.05Å; L843-V881 HydrophobicContact CD2-CB 3.92Å; L843-V881 HydrophobicContact CD2-CG1 4.36Å; L843-V881 HydrophobicContact CD2-CG2 3.97Å; L843-K888 WeakPolarHBondContact CA-O 3.29Å; L843-K888 HydrophobicContact CD2-CB 3.82Å
844	G	87	Confident	89.1	Confident	18 Å²	18	57.5 Å²	57.5	19%	0.186	30%	0.296	C	S	.	.			trans	-75.7	178.4	169.7	0	0	0	0	0	112.4	M847 K848 K888 D889	G844-M847 PolarHBondContact O-N 3.07Å; G844-K848 WeakPolarHBondContact O-CG 3.49Å; G844-K848 PolarHBondContact O-N 3.09Å; G844-K888 PolarHBondContact N-O 3.01Å; G844-D889 VanDerWaalsContact C-OD1 3.31Å; G844-D889 VanDerWaalsContact CA-CG 3.42Å
845	D	89.6	Confident	90	Very high	113 Å²	113	51.4 Å²	51.4	60%	0.604	27%	0.269	S	S	*	.	H	α-helix	trans	-74.8	-34.1	-168.8	-68.5	-49.8	0	0	0	113.1	M847 K848 E849 D889	D845-M847 VanDerWaalsContact C-N 3.3Å; D845-M847 PolarHBondContact O-N 3.12Å; D845-K848 PolarHBondContact O-N 2.72Å; D845-K848 WeakPolarHBondContact OD1-CD 3.22Å; D845-K848 WeakPolarHBondContact OD1-CE 3.36Å; D845-K848 IonicContact OD1-NZ 2.7Å; D845-K848 PolarHBondContact OD1-NZ 3Å; D845-E849 PolarHBondContact O-N 2.72Å; D845-D889 PolarHBondContact N-OD2 3.3Å
846	V	90.9	Very high	90.7	Very high	70 Å²	70	55 Å²	55	42%	0.424	29%	0.29	S	S	.	.	H	α-helix	trans	-66.2	-37.2	174.5	-168.1	0	0	0	0	110.5	E849 S850 D889 P891	V846-E849 PolarHBondContact O-N 2.65Å; V846-S850 WeakPolarHBondContact O-CB 3.47Å; V846-S850 PolarHBondContact O-N 2.89Å; V846-D889 WeakPolarHBondContact CA-OD1 3.39Å; V846-D889 VanDerWaalsContact CB-OD1 3.3Å; V846-D889 WeakPolarHBondContact CB-OD1 3.11Å; V846-D889 PolarHBondContact N-OD1 3.34Å; V846-D889 VanDerWaalsContact N-OD1 3.1Å; V846-P891 HydrophobicContact CG1-CB 4.44Å; V846-P891 HydrophobicContact CG1-CG 4.36Å
847	M	90	Very high	91.1	Very high	9 Å²	9	52.7 Å²	52.7	4%	0.044	28%	0.275	C	S	.	.	H	α-helix	trans	-70.7	-35	175.1	-177.7	62.4	178.2	0	0	112.8	L843 G844 D845 S850 A851 V881 D889 A893 I897	L843-M847 HydrophobicContact CB-CB 4.19Å; L843-M847 HydrophobicContact CB-CG 3.88Å; L843-M847 HydrophobicContact CD1-CE 4.08Å; L843-M847 HydrophobicContact CD1-CG 3.72Å; L843-M847 HydrophobicContact CD2-CE 4.4Å; L843-M847 HydrophobicContact CD2-CG 3.95Å; L843-M847 HydrophobicContact CG-CG 4.04Å; G844-M847 PolarHBondContact O-N 3.07Å; D845-M847 VanDerWaalsContact C-N 3.3Å; D845-M847 PolarHBondContact O-N 3.12Å; M847-S850 PolarHBondContact O-N 3.04Å; M847-A851 WeakPolarHBondContact O-CB 3.34Å; M847-A851 PolarHBondContact O-N 2.81Å; M847-V881 HydrophobicContact CE-CG2 4.22Å; M847-D889 PolarHBondContact N-OD1 3.12Å; M847-A893 HydrophobicContact CE-CB 3.77Å; M847-A893 HydrophobicContact SD-CB 4.06Å; M847-I897 HydrophobicContact CE-CD1 3.91Å
848	K	91	Very high	91.3	Very high	86 Å²	86	50.5 Å²	50.5	37%	0.374	26%	0.263	S	S	.	.	H	α-helix	trans	-64.2	-40.1	170.6	-69.1	166.6	-148.6	163.2	0	111.7	L843 G844 D845 A851 K852	L843-K848 HydrophobicContact CB-CG 4.48Å; L843-K848 WeakPolarHBondContact O-CE 3.47Å; G844-K848 WeakPolarHBondContact O-CG 3.49Å; G844-K848 PolarHBondContact O-N 3.09Å; D845-K848 PolarHBondContact O-N 2.72Å; D845-K848 WeakPolarHBondContact OD1-CD 3.22Å; D845-K848 WeakPolarHBondContact OD1-CE 3.36Å; D845-K848 IonicContact OD1-NZ 2.7Å; D845-K848 PolarHBondContact OD1-NZ 3Å; K848-A851 PolarHBondContact O-N 3.15Å; K848-K852 WeakPolarHBondContact O-CG 3.5Å; K848-K852 PolarHBondContact O-N 3.28Å
849	E	92	Very high	91.3	Very high	122 Å²	122	47.8 Å²	47.8	57%	0.57	25%	0.249	S	C	*	.	H	α-helix	trans	-67	-45.4	175.5	-177	164.7	-151.5	0	0	111.6	D845 V846 A851 K852 I853	D845-E849 PolarHBondContact O-N 2.72Å; V846-E849 PolarHBondContact O-N 2.65Å; E849-A851 VanDerWaalsContact C-N 3.29Å; E849-A851 PolarHBondContact O-N 2.83Å; E849-K852 WeakPolarHBondContact O-CB 3.31Å; E849-K852 PolarHBondContact O-N 3.3Å; E849-I853 HydrophobicContact CG-CD1 3.96Å; E849-I853 WeakPolarHBondContact O-CG1 3.48Å; E849-I853 PolarHBondContact O-N 3.12Å
850	S	93.4	Very high	91.3	Very high	5 Å²	5	47.7 Å²	47.7	4%	0.035	25%	0.253	C	S	.	.	H	α-helix	trans	-55.7	-41.6	173.4	-169.7	0	0	0	0	112.2	V846 M847 K852 I853 A854 P891	V846-S850 WeakPolarHBondContact O-CB 3.47Å; V846-S850 PolarHBondContact O-N 2.89Å; M847-S850 PolarHBondContact O-N 3.04Å; S850-K852 PolarHBondContact O-N 3.29Å; S850-I853 PolarHBondContact O-N 2.77Å; S850-A854 VanDerWaalsContact O-CB 3.24Å; S850-A854 WeakPolarHBondContact O-CB 3.44Å; S850-A854 PolarHBondContact O-N 2.91Å; S850-P891 PolarHBondContact OG-O 3.24Å
851	A	93.6	Very high	91.5	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-64.1	-37	175.2	0	0	0	0	0	113.2	V839 M847 K848 E849 S855 I897	V839-A851 HydrophobicContact CG2-CB 4.39Å; M847-A851 WeakPolarHBondContact O-CB 3.34Å; M847-A851 PolarHBondContact O-N 2.81Å; K848-A851 PolarHBondContact O-N 3.15Å; E849-A851 VanDerWaalsContact C-N 3.29Å; E849-A851 PolarHBondContact O-N 2.83Å; A851-S855 WeakPolarHBondContact O-CB 3.34Å; A851-S855 PolarHBondContact O-N 2.79Å; A851-I897 HydrophobicContact CB-CD1 4.05Å
852	K	92.9	Very high	91.8	Very high	146 Å²	146	46 Å²	46	64%	0.635	24%	0.239	S	C	*	.	H	α-helix	trans	-66.7	-47.1	173.3	-69.2	172.4	-177.9	177	0	111.5	K848 E849 S850 A854 S855 T856	K848-K852 WeakPolarHBondContact O-CG 3.5Å; K848-K852 PolarHBondContact O-N 3.28Å; E849-K852 WeakPolarHBondContact O-CB 3.31Å; E849-K852 PolarHBondContact O-N 3.3Å; S850-K852 PolarHBondContact O-N 3.29Å; K852-A854 VanDerWaalsContact C-N 3.35Å; K852-A854 PolarHBondContact O-N 2.86Å; K852-S855 PolarHBondContact O-N 3.37Å; K852-T856 PolarHBondContact O-N 3.07Å; K852-T856 PolarHBondContact O-OG1 2.99Å
853	I	94.9	Very high	91.9	Very high	43 Å²	43	45.6 Å²	45.6	22%	0.221	24%	0.239	C	C	.	.	H	α-helix	trans	-59.4	-46.9	178.1	-68.7	167.8	0	0	0	110.5	E849 S850 S855 T856 F857 V920 L922	E849-I853 HydrophobicContact CG-CD1 3.96Å; E849-I853 WeakPolarHBondContact O-CG1 3.48Å; E849-I853 PolarHBondContact O-N 3.12Å; S850-I853 PolarHBondContact O-N 2.77Å; I853-S855 PolarHBondContact O-N 3.41Å; I853-T856 PolarHBondContact O-N 3.16Å; I853-F857 WeakPolarHBondContact O-CB 3.34Å; I853-F857 PolarHBondContact O-N 3.24Å; I853-V920 HydrophobicContact CG2-CG1 4.48Å; I853-V920 VanDerWaalsContact CG2-O 3.23Å; I853-V920 WeakPolarHBondContact CG2-O 2.73Å; I853-L922 HydrophobicContact CB-CD2 4.3Å; I853-L922 HydrophobicContact CG1-CD2 4.3Å; I853-L922 HydrophobicContact CG1-CG 4.49Å; I853-L922 HydrophobicContact CG2-CD2 3.95Å; I853-L922 HydrophobicContact CG2-CG 4.03Å
854	A	95.3	Very high	92	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-61.2	-40.5	176	0	0	0	0	0	112.4	S850 K852 A858 I897 V898 V920	S850-A854 VanDerWaalsContact O-CB 3.24Å; S850-A854 WeakPolarHBondContact O-CB 3.44Å; S850-A854 PolarHBondContact O-N 2.91Å; K852-A854 VanDerWaalsContact C-N 3.35Å; K852-A854 PolarHBondContact O-N 2.86Å; A854-A858 WeakPolarHBondContact O-CB 3.41Å; A854-A858 PolarHBondContact O-N 3.47Å; A854-I897 HydrophobicContact CB-CB 3.8Å; A854-I897 HydrophobicContact CB-CG2 3.52Å; A854-V898 HydrophobicContact CB-CG2 3.74Å; A854-V920 HydrophobicContact CB-CG1 4.01Å
855	S	93.1	Very high	91.9	Very high	15 Å²	15	55.1 Å²	55.1	11%	0.105	29%	0.285	C	S	.	.	H	α-helix	trans	-64.8	-47.1	176	-172	0	0	0	0	112.7	A851 K852 I853 F857 A858 R859	A851-S855 WeakPolarHBondContact O-CB 3.34Å; A851-S855 PolarHBondContact O-N 2.79Å; K852-S855 PolarHBondContact O-N 3.37Å; I853-S855 PolarHBondContact O-N 3.41Å; S855-F857 VanDerWaalsContact C-N 3.34Å; S855-F857 PolarHBondContact O-N 2.93Å; S855-A858 PolarHBondContact O-N 3.16Å; S855-R859 WeakPolarHBondContact O-CG 3.45Å; S855-R859 PolarHBondContact O-N 3.08Å
856	T	93.6	Very high	91.9	Very high	80 Å²	80	52.2 Å²	52.2	49%	0.491	27%	0.268	S	S	.	.	H	α-helix	trans	-59.5	-44.3	176.2	-61	0	0	0	0	111.5	K852 I853 A860 L922	K852-T856 PolarHBondContact O-N 3.07Å; K852-T856 PolarHBondContact O-OG1 2.99Å; I853-T856 PolarHBondContact O-N 3.16Å; T856-A860 PolarHBondContact O-N 2.84Å; T856-L922 HydrophobicContact CG2-CD2 3.84Å
857	F	95.4	Very high	91.5	Very high	14 Å²	14	53.1 Å²	53.1	6%	0.061	28%	0.275	C	S	.	.	H	α-helix	trans	-68.3	-40.3	176	177.8	-102.4	0	0	0	112.5	I853 S855 R859 A860 F861 V898 V920 Y976	I853-F857 WeakPolarHBondContact O-CB 3.34Å; I853-F857 PolarHBondContact O-N 3.24Å; S855-F857 VanDerWaalsContact C-N 3.34Å; S855-F857 PolarHBondContact O-N 2.93Å; F857-R859 VanDerWaalsContact C-N 3.33Å; F857-R859 PolarHBondContact O-N 3.34Å; F857-A860 PolarHBondContact O-N 2.85Å; F857-F861 HydrophobicContact CE1-CB 4.14Å; F857-F861 HydrophobicContact CE1-CD2 4.21Å; F857-F861 HydrophobicContact CE1-CG 4.35Å; F857-F861 HydrophobicContact CE2-CB 4.46Å; F857-F861 HydrophobicContact CE2-CD2 4.49Å; F857-F861 HydrophobicContact CZ-CB 4.04Å; F857-F861 AromaticContact CZ-CD2 3.7Å; F857-F861 HydrophobicContact CZ-CD2 3.7Å; F857-F861 HydrophobicContact CZ-CG 4.19Å; F857-F861 VanDerWaalsContact O-CB 3.3Å; F857-F861 WeakPolarHBondContact O-CB 3.45Å; F857-F861 PolarHBondContact O-N 2.77Å; F857-V898 HydrophobicContact CD1-CG1 3.9Å; F857-V898 HydrophobicContact CD1-CG2 3.94Å; F857-V898 HydrophobicContact CE1-CG1 4.08Å; F857-V920 HydrophobicContact CD1-CG2 4.15Å; F857-Y976 AromaticContact CE1-CD1 3.62Å; F857-Y976 HydrophobicContact CE1-CD1 3.62Å; F857-Y976 HydrophobicContact CE1-CE1 4.5Å; F857-Y976 AromaticContact CE1-CG 3.66Å; F857-Y976 HydrophobicContact CE1-CG 3.66Å; F857-Y976 HydrophobicContact CZ-CD1 4.22Å; F857-Y976 HydrophobicContact CZ-CG 4.33Å
858	A	93.8	Very high	91.2	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-60.4	-41.3	176.6	0	0	0	0	0	112.1	A854 S855 L862 L872 V898 L901	A854-A858 WeakPolarHBondContact O-CB 3.41Å; A854-A858 PolarHBondContact O-N 3.47Å; S855-A858 PolarHBondContact O-N 3.16Å; A858-L862 WeakPolarHBondContact O-CB 3.5Å; A858-L862 PolarHBondContact O-N 2.8Å; A858-L872 HydrophobicContact CB-CD1 3.91Å; A858-V898 HydrophobicContact CB-CG1 4.06Å; A858-L901 HydrophobicContact CB-CB 4.17Å; A858-L901 HydrophobicContact CB-CD1 4.12Å
859	R	91.7	Very high	91	Very high	45 Å²	45	58.6 Å²	58.6	17%	0.17	30%	0.303	C	S	.	.	H	α-helix	trans	-57.4	-53.8	172.1	-74.9	173.5	168.4	-172.3	-3.7	111.5	E834 G835 S855 F857 F861 L862 M863 L872	E834-R859 IonicContact OE1-CZ 3.28Å; E834-R859 IonicContact OE1-NH1 3.24Å; E834-R859 PolarHBondContact OE1-NH1 3.01Å; G835-R859 PolarHBondContact O-NH2 2.87Å; S855-R859 WeakPolarHBondContact O-CG 3.45Å; S855-R859 PolarHBondContact O-N 3.08Å; F857-R859 VanDerWaalsContact C-N 3.33Å; F857-R859 PolarHBondContact O-N 3.34Å; R859-F861 PolarHBondContact O-N 3.12Å; R859-L862 PolarHBondContact O-N 2.74Å; R859-M863 WeakPolarHBondContact O-CG 3.29Å; R859-M863 PolarHBondContact O-N 3.33Å; R859-L872 HydrophobicContact CG-CB 3.92Å; R859-L872 PolarHBondContact NE-O 3.48Å; R859-L872 PolarHBondContact NH2-O 3Å; R859-L872 VanDerWaalsContact NH2-O 3.11Å
860	A	91.9	Very high	90.6	Very high	48 Å²	48	57.1 Å²	57.1	40%	0.397	30%	0.299	S	S	.	.	H	α-helix	trans	-64.6	-38.5	-178.8	0	0	0	0	0	113.3	T856 F857 T864	T856-A860 PolarHBondContact O-N 2.84Å; F857-A860 PolarHBondContact O-N 2.85Å; A860-T864 PolarHBondContact O-N 2.9Å; A860-T864 PolarHBondContact O-OG1 2.96Å
861	F	92.9	Very high	90.3	Very high	18 Å²	18	58.3 Å²	58.3	8%	0.079	30%	0.304	C	S	.	.	H	α-helix	trans	-67.4	-41	176.6	-171.1	-91.9	0	0	0	111.8	F857 R859 T864 K865 L902 Y976 Y980	F857-F861 HydrophobicContact CE1-CB 4.14Å; F857-F861 HydrophobicContact CE1-CD2 4.21Å; F857-F861 HydrophobicContact CE1-CG 4.35Å; F857-F861 HydrophobicContact CE2-CB 4.46Å; F857-F861 HydrophobicContact CE2-CD2 4.49Å; F857-F861 HydrophobicContact CZ-CB 4.04Å; F857-F861 AromaticContact CZ-CD2 3.7Å; F857-F861 HydrophobicContact CZ-CD2 3.7Å; F857-F861 HydrophobicContact CZ-CG 4.19Å; F857-F861 VanDerWaalsContact O-CB 3.3Å; F857-F861 WeakPolarHBondContact O-CB 3.45Å; F857-F861 PolarHBondContact O-N 2.77Å; R859-F861 PolarHBondContact O-N 3.12Å; F861-T864 PolarHBondContact O-N 2.86Å; F861-K865 HydrophobicContact CD1-CG 4.14Å; F861-K865 HydrophobicContact CE1-CG 3.78Å; F861-K865 HydrophobicContact CZ-CG 4.17Å; F861-K865 PolarHBondContact O-N 2.76Å; F861-L902 HydrophobicContact CD1-CD1 3.65Å; F861-L902 HydrophobicContact CD1-CD2 4.38Å; F861-L902 HydrophobicContact CE1-CD1 4.05Å; F861-Y976 HydrophobicContact CD1-CE1 4.35Å; F861-Y976 HydrophobicContact CD2-CD1 4.26Å; F861-Y976 HydrophobicContact CE1-CD1 4.39Å; F861-Y976 HydrophobicContact CE1-CE1 4.16Å; F861-Y976 HydrophobicContact CE2-CD1 4.09Å; F861-Y976 HydrophobicContact CG-CD1 4.47Å; F861-Y976 HydrophobicContact CZ-CD1 4.15Å; F861-Y976 HydrophobicContact CZ-CE1 4.31Å; F861-Y980 AromaticContact CE1-CD2 3.61Å; F861-Y980 HydrophobicContact CE1-CD2 3.61Å; F861-Y980 HydrophobicContact CE1-CE2 4.12Å; F861-Y980 AromaticContact CE1-CG 3.89Å; F861-Y980 HydrophobicContact CE1-CG 3.89Å; F861-Y980 HydrophobicContact CZ-CD2 4.24Å; F861-Y980 HydrophobicContact CZ-CG 4.06Å
862	L	90.8	Very high	90	Very high	4 Å²	4	58.6 Å²	58.6	2%	0.021	31%	0.305	C	S	.	.	H	α-helix	trans	-64.5	-45.7	176.3	-172.8	62.1	0	0	0	111.4	A858 R859 T864 K865 E866 N869 L872 L902 A905 T906	A858-L862 WeakPolarHBondContact O-CB 3.5Å; A858-L862 PolarHBondContact O-N 2.8Å; R859-L862 PolarHBondContact O-N 2.74Å; L862-T864 PolarHBondContact O-N 3.25Å; L862-T864 VanDerWaalsContact O-N 3.11Å; L862-K865 PolarHBondContact O-N 3.2Å; L862-E866 HydrophobicContact CD1-CB 4.14Å; L862-E866 CarbonylContact O-C 3.26Å; L862-E866 PolarHBondContact O-N 2.94Å; L862-N869 HydrophobicContact CD1-CB 4.34Å; L862-N869 HydrophobicContact CD2-CB 4.31Å; L862-N869 WeakPolarHBondContact CD2-O 3.34Å; L862-N869 HydrophobicContact CG-CB 4.32Å; L862-L872 HydrophobicContact CB-CD1 4.26Å; L862-L872 HydrophobicContact CD2-CB 4.26Å; L862-L872 HydrophobicContact CD2-CD1 3.79Å; L862-L872 HydrophobicContact CD2-CG 3.8Å; L862-L902 HydrophobicContact CB-CD2 3.87Å; L862-L902 HydrophobicContact CD1-CD2 4.08Å; L862-L902 HydrophobicContact CG-CD2 4.43Å; L862-A905 HydrophobicContact CD2-CB 3.86Å; L862-T906 HydrophobicContact CD1-CG2 4.47Å
863	M	89.1	Confident	89.7	Confident	105 Å²	105	53.9 Å²	53.9	52%	0.517	29%	0.288	S	S	.	.	H	α-helix	trans	-54.4	-31.4	173.5	-70.9	172.5	177	0	0	113.1	R859 V873	R859-M863 WeakPolarHBondContact O-CG 3.29Å; R859-M863 PolarHBondContact O-N 3.33Å; M863-V873 HydrophobicContact CE-CG2 3.58Å
864	T	88.1	Confident	89.2	Confident	119 Å²	119	54 Å²	54	73%	0.73	29%	0.293	S	S	*	.	H	α-helix	trans	-82.5	-16.6	179.2	-51.1	0	0	0	0	113	A860 F861 L862	A860-T864 PolarHBondContact O-N 2.9Å; A860-T864 PolarHBondContact O-OG1 2.96Å; F861-T864 PolarHBondContact O-N 2.86Å; L862-T864 PolarHBondContact O-N 3.25Å; L862-T864 VanDerWaalsContact O-N 3.11Å
865	K	86.5	Confident	88.8	Confident	115 Å²	115	54.1 Å²	54.1	50%	0.5	29%	0.294	S	S	.	.	H	α-helix	trans	-109.2	-44.1	-175.3	-76	-65.6	-171.4	179.6	0	113.8	F861 L862	F861-K865 HydrophobicContact CD1-CG 4.14Å; F861-K865 HydrophobicContact CE1-CG 3.78Å; F861-K865 HydrophobicContact CZ-CG 4.17Å; F861-K865 PolarHBondContact O-N 2.76Å; L862-K865 PolarHBondContact O-N 3.2Å
866	E	88.1	Confident	88.6	Confident	53 Å²	53	55.5 Å²	55.5	25%	0.248	30%	0.299	C	S	.	.			trans	-135.6	78.7	179.9	-64.8	-175.6	169.7	0	0	107.6	L862 E868 N869 R908	L862-E866 HydrophobicContact CD1-CB 4.14Å; L862-E866 CarbonylContact O-C 3.26Å; L862-E866 PolarHBondContact O-N 2.94Å; E866-E868 PolarHBondContact O-N 3.35Å; E866-E868 VanDerWaalsContact O-N 3.16Å; E866-N869 HydrophobicContact CB-CB 3.7Å; E866-N869 VanDerWaalsContact O-CB 3.32Å; E866-N869 WeakPolarHBondContact O-CB 3.27Å; E866-N869 PolarHBondContact O-N 3.13Å; E866-N869 PolarHBondContact OE2-ND2 3.11Å; E866-R908 IonicContact OE1-NH2 2.65Å
867	P	84.2	Confident	88.5	Confident	89 Å²	89	52 Å²	52	58%	0.578	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-24	-172.7	23.3	-34.2	0	0	0	114.1	N869	P867-N869 VanDerWaalsContact C-N 3.29Å
868	E	83.7	Confident	88.4	Confident	172 Å²	172	55.1 Å²	55.1	80%	0.804	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-23.8	172.4	-55.2	-57.9	142.5	0	0	112.6	E866 N870	E866-E868 PolarHBondContact O-N 3.35Å; E866-E868 VanDerWaalsContact O-N 3.16Å; E868-N870 PolarHBondContact O-N 2.69Å; E868-N870 PolarHBondContact O-ND2 3.31Å
869	N	85.9	Confident	88.4	Confident	38 Å²	38	55.1 Å²	55.1	20%	0.203	29%	0.292	C	S	.	.			trans	-82.9	78.3	-170.5	-168.1	-13.1	0	0	0	112.3	L862 E866 P867 F871 A905	L862-N869 HydrophobicContact CD1-CB 4.34Å; L862-N869 HydrophobicContact CD2-CB 4.31Å; L862-N869 WeakPolarHBondContact CD2-O 3.34Å; L862-N869 HydrophobicContact CG-CB 4.32Å; E866-N869 HydrophobicContact CB-CB 3.7Å; E866-N869 VanDerWaalsContact O-CB 3.32Å; E866-N869 WeakPolarHBondContact O-CB 3.27Å; E866-N869 PolarHBondContact O-N 3.13Å; E866-N869 PolarHBondContact OE2-ND2 3.11Å; P867-N869 VanDerWaalsContact C-N 3.29Å; N869-F871 PolarHBondContact O-N 3.13Å; N869-F871 VanDerWaalsContact O-N 3.11Å; N869-F871 WeakPolarHBondContact OD1-CB 3.34Å; N869-F871 PolarHBondContact OD1-N 2.74Å; N869-A905 PolarHBondContact ND2-O 2.81Å
870	N	83.5	Confident	88.4	Confident	91 Å²	91	56 Å²	56	49%	0.487	30%	0.297	S	S	.	.			trans	-77.8	16.8	179.8	-72.8	-83	0	0	0	114.3	E868 V873 S874	E868-N870 PolarHBondContact O-N 2.69Å; E868-N870 PolarHBondContact O-ND2 3.31Å; N870-V873 PolarHBondContact O-N 2.95Å; N870-S874 PolarHBondContact O-N 3.47Å; N870-S874 PolarHBondContact O-OG 3.21Å
871	F	86.8	Confident	88.3	Confident	30 Å²	30	53.8 Å²	53.8	13%	0.132	28%	0.279	C	S	.	.	H	α-helix	trans	-60.6	-55.4	-175.6	-176.3	-92.6	0	0	0	112.5	L822 N869 V873 S874 S875 L877 L904 A905	L822-F871 HydrophobicContact CD1-CE2 4.3Å; L822-F871 HydrophobicContact CD1-CZ 4.06Å; N869-F871 PolarHBondContact O-N 3.13Å; N869-F871 VanDerWaalsContact O-N 3.11Å; N869-F871 WeakPolarHBondContact OD1-CB 3.34Å; N869-F871 PolarHBondContact OD1-N 2.74Å; F871-V873 PolarHBondContact O-N 3.21Å; F871-V873 VanDerWaalsContact O-N 3.07Å; F871-S874 PolarHBondContact O-N 3Å; F871-S875 VanDerWaalsContact O-CB 3.26Å; F871-S875 WeakPolarHBondContact O-CB 3.44Å; F871-S875 PolarHBondContact O-N 3Å; F871-S875 PolarHBondContact O-OG 3.17Å; F871-L877 HydrophobicContact CE1-CD2 3.87Å; F871-L877 HydrophobicContact CZ-CD2 4.22Å; F871-L904 HydrophobicContact CE1-CD2 4.15Å; F871-L904 HydrophobicContact CE1-CG 4Å; F871-L904 HydrophobicContact CZ-CD2 4.42Å; F871-L904 HydrophobicContact CZ-CG 4.2Å; F871-A905 HydrophobicContact CB-CB 4.33Å; F871-A905 HydrophobicContact CD1-CB 3.63Å; F871-A905 HydrophobicContact CE1-CB 4.33Å; F871-A905 HydrophobicContact CG-CB 4.31Å
872	L	87.4	Confident	87.7	Confident	6 Å²	6	53.8 Å²	53.8	3%	0.031	28%	0.281	C	S	.	.	H	α-helix	trans	-65.1	-14.5	-177.7	-66.7	-178.8	0	0	0	114.5	A858 R859 L862 L877 L901 L902 A905	A858-L872 HydrophobicContact CB-CD1 3.91Å; R859-L872 HydrophobicContact CG-CB 3.92Å; R859-L872 PolarHBondContact NE-O 3.48Å; R859-L872 PolarHBondContact NH2-O 3Å; R859-L872 VanDerWaalsContact NH2-O 3.11Å; L862-L872 HydrophobicContact CB-CD1 4.26Å; L862-L872 HydrophobicContact CD2-CB 4.26Å; L862-L872 HydrophobicContact CD2-CD1 3.79Å; L862-L872 HydrophobicContact CD2-CG 3.8Å; L872-L877 HydrophobicContact CD2-CD1 3.64Å; L872-L901 HydrophobicContact CD2-CB 4.12Å; L872-L901 HydrophobicContact CD2-CD2 4.43Å; L872-L902 HydrophobicContact CD1-CD2 4.2Å; L872-A905 HydrophobicContact CD1-CB 4.24Å; L872-A905 HydrophobicContact CD2-CB 3.88Å; L872-A905 HydrophobicContact CG-CB 3.73Å
873	V	86.3	Confident	86.8	Confident	46 Å²	46	57.2 Å²	57.2	28%	0.279	30%	0.297	S	S	.	.	H	α-helix	trans	-91.7	-35.3	-179.5	-174.9	0	0	0	0	111.5	G835 M863 N870 F871	G835-V873 WeakPolarHBondContact CA-O 3.48Å; G835-V873 PolarHBondContact N-O 2.86Å; M863-V873 HydrophobicContact CE-CG2 3.58Å; N870-V873 PolarHBondContact O-N 2.95Å; F871-V873 PolarHBondContact O-N 3.21Å; F871-V873 VanDerWaalsContact O-N 3.07Å
874	S	85.3	Confident	85.4	Confident	46 Å²	46	54 Å²	54	32%	0.322	29%	0.29	S	S	.	.	H	α-helix	trans	-106.1	-17	-172.3	59.4	0	0	0	0	115	Q826 N870 F871	Q826-S874 PolarHBondContact NE2-OG 2.97Å; N870-S874 PolarHBondContact O-N 3.47Å; N870-S874 PolarHBondContact O-OG 3.21Å; F871-S874 PolarHBondContact O-N 3Å
875	S	85.9	Confident	84	Confident	3 Å²	3	52.5 Å²	52.5	2%	0.021	29%	0.29	C	S	.	.			trans	-87	146.8	-177.1	58.9	0	0	0	0	113.3	G835 F871 L877	G835-S875 CarbonylContact C-O 3.52Å; G835-S875 WeakPolarHBondContact CA-O 3.44Å; F871-S875 VanDerWaalsContact O-CB 3.26Å; F871-S875 WeakPolarHBondContact O-CB 3.44Å; F871-S875 PolarHBondContact O-N 3Å; F871-S875 PolarHBondContact O-OG 3.17Å; S875-L877 WeakPolarHBondContact OG-CD2 3.4Å; S875-L877 WeakPolarHBondContact OG-CG 2.93Å
876	H	89.4	Confident	82.9	Confident	43 Å²	43	50.1 Å²	50.1	20%	0.199	29%	0.285	C	S	.	.			trans	-89	117.9	166.5	-62.2	-80.9	0	0	0	108.8	C823 R824 T836	C823-H876 HydrophobicContact CB-CB 4.07Å; C823-H876 PolarHBondContact N-O 3.4Å; R824-H876 HydrophobicContact CG-CB 4.42Å; T836-H876 PolarHBondContact OG1-ND1 3.34Å
877	L	91.9	Very high	81.9	Confident	6 Å²	6	53 Å²	53	3%	0.031	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	140.7	-170.8	-61.2	178.8	0	0	0	111.6	S821 L822 C823 T836 L837 E838 F871 L872 S875 L901 L904	S821-L877 WeakPolarHBondContact O-CA 3.32Å; L822-L877 HydrophobicContact CD1-CD2 4.16Å; C823-L877 VanDerWaalsContact SG-C 3.53Å; T836-L877 PolarHBondContact O-N 2.93Å; L837-L877 WeakPolarHBondContact CA-O 3.47Å; L837-L877 HydrophobicContact CD1-CB 3.89Å; E838-L877 PolarHBondContact N-O 3.27Å; F871-L877 HydrophobicContact CE1-CD2 3.87Å; F871-L877 HydrophobicContact CZ-CD2 4.22Å; L872-L877 HydrophobicContact CD2-CD1 3.64Å; S875-L877 WeakPolarHBondContact OG-CD2 3.4Å; S875-L877 WeakPolarHBondContact OG-CG 2.93Å; L877-L901 HydrophobicContact CD1-CD2 3.87Å; L877-L904 HydrophobicContact CD2-CD2 3.81Å
878	H	93.6	Very high	81.7	Confident	81 Å²	81	49.9 Å²	49.9	38%	0.375	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	126.7	168.4	-155.9	164.7	0	0	0	108.2	T820 S821 C823 E838 T840	T820-H878 CarbonylContact C-O 3.59Å; T820-H878 VanDerWaalsContact CA-O 3.29Å; T820-H878 WeakPolarHBondContact CA-O 3.45Å; S821-H878 PolarHBondContact N-O 3.37Å; S821-H878 PolarHBondContact O-N 2.92Å; C823-H878 PolarHBondContact SG-N 3Å; C823-H878 VanDerWaalsContact SG-N 3.42Å; E838-H878 CarbonylContact O-C 3.5Å; T840-H878 WeakPolarHBondContact CB-NE2 3.24Å; T840-H878 WeakPolarHBondContact CG2-NE2 3.32Å; T840-H878 PolarHBondContact OG1-NE2 3.25Å
879	L	93.8	Very high	81.3	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	124.1	162	-173.3	143.5	0	0	0	109.6	I818 E819 T820 L837 E838 V839 T840 L843 V881 I897	I818-L879 HydrophobicContact CG2-CD1 4.02Å; I818-L879 HydrophobicContact CG2-CD2 4.32Å; I818-L879 HydrophobicContact CG2-CG 4.09Å; E819-L879 WeakPolarHBondContact O-CA 3.46Å; T820-L879 HydrophobicContact CG2-CB 4.36Å; T820-L879 HydrophobicContact CG2-CD1 3.97Å; T820-L879 HydrophobicContact CG2-CG 4.18Å; L837-L879 HydrophobicContact CD1-CB 4.06Å; E838-L879 PolarHBondContact O-N 3.06Å; V839-L879 WeakPolarHBondContact CA-O 3.25Å; V839-L879 HydrophobicContact CG1-CD2 4.24Å; T840-L879 PolarHBondContact N-O 3.25Å; T840-L879 PolarHBondContact OG1-O 2.86Å; L843-L879 HydrophobicContact CD1-CD2 4.5Å; L879-V881 HydrophobicContact CD2-CG2 3.89Å; L879-I897 HydrophobicContact CD1-CB 4.24Å; L879-I897 HydrophobicContact CD1-CG1 4Å; L879-I897 HydrophobicContact CD1-CG2 3.5Å
880	H	91.9	Very high	81.1	Confident	63 Å²	63	45.6 Å²	45.6	29%	0.292	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	138.1	175.5	-171.3	65.4	0	0	0	110.8	E819 T840	E819-H880 HydrophobicContact CB-CB 4.31Å; E819-H880 PolarHBondContact N-O 2.87Å; E819-H880 PolarHBondContact O-N 2.78Å; E819-H880 IonicContact OE2-CD2 3.55Å; T840-H880 PolarHBondContact OG1-ND1 3.46Å
881	V	89.9	Confident	81.4	Confident	2 Å²	2	42.8 Å²	42.8	1%	0.012	26%	0.261	C	S	.	.			trans	-119.7	111.9	167.1	-174.6	0	0	0	0	107.7	L816 T840 G841 L843 M847 L879 K888	L816-V881 HydrophobicContact CD1-CG1 3.94Å; T840-V881 PolarHBondContact O-N 2.86Å; G841-V881 WeakPolarHBondContact CA-O 3.11Å; L843-V881 HydrophobicContact CD1-CG2 4.05Å; L843-V881 HydrophobicContact CD2-CB 3.92Å; L843-V881 HydrophobicContact CD2-CG1 4.36Å; L843-V881 HydrophobicContact CD2-CG2 3.97Å; M847-V881 HydrophobicContact CE-CG2 4.22Å; L879-V881 HydrophobicContact CD2-CG2 3.89Å; V881-K888 HydrophobicContact CG1-CD 3.82Å
882	P	80	Confident	81.5	Confident	18 Å²	18	42.7 Å²	42.7	12%	0.117	26%	0.264	C	S	.	.	S	Bend	trans	-71.8	176.3	-177.2	29.1	-33.3	0	0	0	112.5	M794 F817 K888	M794-P882 HydrophobicContact SD-CG 4.49Å; F817-P882 WeakPolarHBondContact O-CD 3.34Å; F817-P882 WeakPolarHBondContact O-CG 3.47Å; P882-K888 PolarHBondContact O-NZ 3.29Å
883	E	71.2	Confident	81.6	Confident	76 Å²	76	43.3 Å²	43.3	36%	0.355	27%	0.27	S	S	.	.			trans	60.8	41.9	-162.8	-41.4	171.2	124.7	0	0	113.8	R743 L816 A885 T886 K888	R743-E883 IonicContact CZ-OE1 3.86Å; R743-E883 IonicContact NH1-OE1 3.25Å; R743-E883 IonicContact NH2-OE1 2.96Å; R743-E883 PolarHBondContact NH2-OE1 3.39Å; L816-E883 WeakPolarHBondContact CD2-OE2 3.44Å; E883-A885 PolarHBondContact O-N 3.41Å; E883-T886 PolarHBondContact O-N 3.45Å; E883-T886 PolarHBondContact O-OG1 3.31Å; E883-K888 IonicContact OE2-NZ 3.43Å; E883-K888 PolarHBondContact OE2-NZ 2.87Å
884	G	59.4	Low	82	Confident	36 Å²	36	41.1 Å²	41.1	37%	0.371	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	45.6	176.8	0	0	0	0	0	115.8	Q842	Q842-G884 WeakPolarHBondContact CG-O 3.36Å; Q842-G884 PolarHBondContact NE2-O 3.48Å; Q842-G884 PolarHBondContact OE1-O 3.12Å
885	A	59.3	Low	82.4	Confident	88 Å²	88	38.9 Å²	38.9	73%	0.727	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-131	-5	169.1	0	0	0	0	0	112.1	E883	E883-A885 PolarHBondContact O-N 3.41Å
886	T	64.1	Low	82.8	Confident	65 Å²	65	38.9 Å²	38.9	40%	0.399	24%	0.241	S	C	.	.	S	Bend	trans	-113	129.3	166.8	50.3	0	0	0	0	107.5	E883 K888	E883-T886 PolarHBondContact O-N 3.45Å; E883-T886 PolarHBondContact O-OG1 3.31Å; T886-K888 PolarHBondContact O-N 2.9Å; T886-K888 WeakPolarHBondContact OG1-CE 3.39Å
887	P	67.5	Low	83.1	Confident	115 Å²	115	36.8 Å²	36.8	75%	0.747	23%	0.232	S	C	*	.			trans	-66.2	135.1	178.1	27.4	-33.8	0	0	0	109.9
888	K	79.4	Confident	83.3	Confident	22 Å²	22	36.5 Å²	36.5	10%	0.096	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-120	101.9	-175.9	-70.8	176.6	-177.5	-164.4	0	109.5	L816 Q842 L843 G844 V881 P882 E883 T886	L816-K888 HydrophobicContact CD1-CD 3.93Å; Q842-K888 PolarHBondContact O-N 3.2Å; Q842-K888 VanDerWaalsContact O-N 3.12Å; L843-K888 WeakPolarHBondContact CA-O 3.29Å; L843-K888 HydrophobicContact CD2-CB 3.82Å; G844-K888 PolarHBondContact N-O 3.01Å; V881-K888 HydrophobicContact CG1-CD 3.82Å; P882-K888 PolarHBondContact O-NZ 3.29Å; E883-K888 IonicContact OE2-NZ 3.43Å; E883-K888 PolarHBondContact OE2-NZ 2.87Å; T886-K888 PolarHBondContact O-N 2.9Å; T886-K888 WeakPolarHBondContact OG1-CE 3.39Å
889	D	74.5	Confident	83.4	Confident	94 Å²	94	32.7 Å²	32.7	50%	0.503	21%	0.212	S	C	.	.			trans	-130.5	144.1	178.1	-148.8	6.1	0	0	0	111.4	G844 D845 V846 M847	G844-D889 VanDerWaalsContact C-OD1 3.31Å; G844-D889 VanDerWaalsContact CA-CG 3.42Å; D845-D889 PolarHBondContact N-OD2 3.3Å; V846-D889 WeakPolarHBondContact CA-OD1 3.39Å; V846-D889 VanDerWaalsContact CB-OD1 3.3Å; V846-D889 WeakPolarHBondContact CB-OD1 3.11Å; V846-D889 PolarHBondContact N-OD1 3.34Å; V846-D889 VanDerWaalsContact N-OD1 3.1Å; M847-D889 PolarHBondContact N-OD1 3.12Å
890	G	82.4	Confident	83.5	Confident	26 Å²	26	32.7 Å²	32.7	27%	0.268	21%	0.212	S	C	.	.			trans	124.7	133.8	-175.9	0	0	0	0	0	113.7	S892	G890-S892 VanDerWaalsContact C-N 3.27Å; G890-S892 PolarHBondContact O-N 3.38Å; G890-S892 VanDerWaalsContact O-N 3.16Å
891	P	89.2	Confident	83.6	Confident	32 Å²	32	29.7 Å²	29.7	21%	0.208	20%	0.198	C	C	.	.	S	Bend	trans	-79	0.8	-166	33.5	-39	0	0	0	115.1	V846 S850 A893 G894 E919	V846-P891 HydrophobicContact CG1-CB 4.44Å; V846-P891 HydrophobicContact CG1-CG 4.36Å; S850-P891 PolarHBondContact OG-O 3.24Å; P891-A893 PolarHBondContact O-N 3.01Å; P891-G894 PolarHBondContact O-N 2.88Å; P891-E919 HydrophobicContact CB-CB 4.2Å; P891-E919 HydrophobicContact CB-CG 3.9Å; P891-E919 HydrophobicContact CG-CB 4.31Å; P891-E919 HydrophobicContact CG-CG 4.16Å; P891-E919 WeakPolarHBondContact CG-OE2 3.34Å; P891-E919 WeakPolarHBondContact O-CA 2.28Å
892	S	88.8	Confident	83.9	Confident	28 Å²	28	29.6 Å²	29.6	20%	0.196	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	4.2	-173.6	71.6	0	0	0	0	116.2	G890 T917 G918 V929 K935	G890-S892 VanDerWaalsContact C-N 3.27Å; G890-S892 PolarHBondContact O-N 3.38Å; G890-S892 VanDerWaalsContact O-N 3.16Å; S892-T917 PolarHBondContact O-OG1 3.04Å; S892-T917 VanDerWaalsContact O-OG1 3.06Å; S892-G918 PolarHBondContact O-N 2.99Å; S892-V929 VanDerWaalsContact CB-CG1 3.42Å; S892-K935 PolarHBondContact OG-NZ 3.02Å
893	A	90.7	Very high	84.6	Confident	19 Å²	19	28.8 Å²	28.8	16%	0.157	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	3.4	172.9	0	0	0	0	0	113.5	I818 M847 P891 C895 T896 I897	I818-A893 HydrophobicContact CD1-CB 4.08Å; M847-A893 HydrophobicContact CE-CB 3.77Å; M847-A893 HydrophobicContact SD-CB 4.06Å; P891-A893 PolarHBondContact O-N 3.01Å; A893-C895 PolarHBondContact O-N 3.28Å; A893-T896 VanDerWaalsContact C-OG1 3.25Å; A893-T896 VanDerWaalsContact CA-OG1 3.26Å; A893-T896 WeakPolarHBondContact CA-OG1 3.39Å; A893-T896 PolarHBondContact O-N 3.01Å; A893-T896 VanDerWaalsContact O-N 3.15Å; A893-T896 PolarHBondContact O-OG1 3.36Å; A893-I897 WeakPolarHBondContact O-CG1 3.48Å; A893-I897 PolarHBondContact O-N 2.93Å
894	G	92.9	Very high	85.7	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-51.4	-52.7	-179.4	0	0	0	0	0	113.2	P891 T896 I897 V898 G918	P891-G894 PolarHBondContact O-N 2.88Å; G894-T896 PolarHBondContact O-N 3.4Å; G894-I897 PolarHBondContact O-N 3.07Å; G894-V898 WeakPolarHBondContact O-CG2 3.46Å; G894-V898 PolarHBondContact O-N 3.16Å; G894-G918 PolarHBondContact N-O 3.45Å
895	C	94.6	Very high	87.2	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-61	-40.1	178	60.9	0	0	0	0	113.4	A893 I897 V898 T899 G918 Y976 I979	A893-C895 PolarHBondContact O-N 3.28Å; C895-I897 VanDerWaalsContact C-N 3.31Å; C895-I897 PolarHBondContact O-N 2.87Å; C895-V898 PolarHBondContact O-N 3.32Å; C895-T899 PolarHBondContact O-N 3Å; C895-T899 PolarHBondContact O-OG1 3.1Å; C895-G918 PolarHBondContact N-O 3.36Å; C895-G918 PolarHBondContact SG-N 2.61Å; C895-G918 VanDerWaalsContact SG-N 3.38Å; C895-G918 PolarHBondContact SG-O 3.48Å; C895-Y976 HydrophobicContact CB-CD2 4.46Å; C895-I979 HydrophobicContact CB-CD1 3.82Å
896	T	95.1	Very high	88.6	Confident	2 Å²	2	22.1 Å²	22.1	1%	0.012	14%	0.141	C	C	.	.	H	α-helix	trans	-62.7	-36.2	177.2	38.7	0	0	0	0	112.9	G805 I818 A893 G894 T899 A900 M916	G805-T896 VanDerWaalsContact CA-CG2 3.49Å; I818-T896 VanDerWaalsContact CD1-OG1 3.25Å; I818-T896 WeakPolarHBondContact CD1-OG1 3.19Å; A893-T896 VanDerWaalsContact C-OG1 3.25Å; A893-T896 VanDerWaalsContact CA-OG1 3.26Å; A893-T896 WeakPolarHBondContact CA-OG1 3.39Å; A893-T896 PolarHBondContact O-N 3.01Å; A893-T896 VanDerWaalsContact O-N 3.15Å; A893-T896 PolarHBondContact O-OG1 3.36Å; G894-T896 PolarHBondContact O-N 3.4Å; T896-T899 PolarHBondContact O-N 3.15Å; T896-A900 PolarHBondContact O-N 2.97Å; T896-M916 HydrophobicContact CG2-CB 4.47Å; T896-M916 HydrophobicContact CG2-CG 3.27Å; T896-M916 WeakPolarHBondContact CG2-O 2.99Å; T896-M916 HydrophobicContact CG2-SD 4.23Å
897	I	95.4	Very high	89.9	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-67.9	-46.6	177.9	-65.6	169.6	0	0	0	110.5	I818 M847 A851 A854 L879 A893 G894 C895 T899 A900 L901	I818-I897 HydrophobicContact CD1-CG1 3.74Å; I818-I897 HydrophobicContact CG2-CG1 4.39Å; M847-I897 HydrophobicContact CE-CD1 3.91Å; A851-I897 HydrophobicContact CB-CD1 4.05Å; A854-I897 HydrophobicContact CB-CB 3.8Å; A854-I897 HydrophobicContact CB-CG2 3.52Å; L879-I897 HydrophobicContact CD1-CB 4.24Å; L879-I897 HydrophobicContact CD1-CG1 4Å; L879-I897 HydrophobicContact CD1-CG2 3.5Å; A893-I897 WeakPolarHBondContact O-CG1 3.48Å; A893-I897 PolarHBondContact O-N 2.93Å; G894-I897 PolarHBondContact O-N 3.07Å; C895-I897 VanDerWaalsContact C-N 3.31Å; C895-I897 PolarHBondContact O-N 2.87Å; I897-T899 VanDerWaalsContact C-N 3.29Å; I897-T899 PolarHBondContact O-N 2.96Å; I897-A900 PolarHBondContact O-N 3.42Å; I897-L901 HydrophobicContact CG2-CD1 3.87Å; I897-L901 HydrophobicContact CG2-CG 4.43Å; I897-L901 WeakPolarHBondContact O-CG 3.43Å; I897-L901 PolarHBondContact O-N 2.85Å
898	V	96.1	Very high	91	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-57.7	-44.5	175.9	-177.4	0	0	0	0	110.5	A854 F857 A858 G894 C895 L901 L902 V920 Y976	A854-V898 HydrophobicContact CB-CG2 3.74Å; F857-V898 HydrophobicContact CD1-CG1 3.9Å; F857-V898 HydrophobicContact CD1-CG2 3.94Å; F857-V898 HydrophobicContact CE1-CG1 4.08Å; A858-V898 HydrophobicContact CB-CG1 4.06Å; G894-V898 WeakPolarHBondContact O-CG2 3.46Å; G894-V898 PolarHBondContact O-N 3.16Å; C895-V898 PolarHBondContact O-N 3.32Å; V898-L901 PolarHBondContact O-N 3.48Å; V898-L902 HydrophobicContact CG1-CD1 3.84Å; V898-L902 HydrophobicContact CG1-CG 4.43Å; V898-L902 WeakPolarHBondContact O-CB 3.24Å; V898-L902 WeakPolarHBondContact O-CG 3.29Å; V898-L902 PolarHBondContact O-N 3.11Å; V898-V920 HydrophobicContact CG2-CG1 4.04Å; V898-V920 HydrophobicContact CG2-CG2 4.41Å; V898-Y976 HydrophobicContact CB-CD2 4.25Å; V898-Y976 HydrophobicContact CB-CE2 3.72Å; V898-Y976 HydrophobicContact CG1-CD1 4.05Å; V898-Y976 HydrophobicContact CG1-CD2 4.11Å; V898-Y976 HydrophobicContact CG1-CE1 3.58Å; V898-Y976 HydrophobicContact CG1-CE2 3.65Å; V898-Y976 HydrophobicContact CG1-CG 4.31Å
899	T	95.9	Very high	91.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-62.6	-43.8	178.3	-52.2	0	0	0	0	112.2	V803 C895 T896 I897 L902 S903 V910 M916 Y976 V983 F984	V803-T899 HydrophobicContact CG1-CG2 4Å; V803-T899 HydrophobicContact CG2-CG2 3.84Å; C895-T899 PolarHBondContact O-N 3Å; C895-T899 PolarHBondContact O-OG1 3.1Å; T896-T899 PolarHBondContact O-N 3.15Å; I897-T899 VanDerWaalsContact C-N 3.29Å; I897-T899 PolarHBondContact O-N 2.96Å; T899-L902 PolarHBondContact O-N 3.45Å; T899-S903 VanDerWaalsContact O-CB 3.22Å; T899-S903 WeakPolarHBondContact O-CB 3.45Å; T899-S903 PolarHBondContact O-N 2.85Å; T899-V910 HydrophobicContact CG2-CG1 3.88Å; T899-M916 HydrophobicContact CG2-CE 4.11Å; T899-M916 HydrophobicContact CG2-SD 4.31Å; T899-M916 PolarHBondContact OG1-SD 3.39Å; T899-Y976 VanDerWaalsContact CA-OH 3.26Å; T899-Y976 WeakPolarHBondContact CA-OH 3.3Å; T899-Y976 PolarHBondContact N-OH 3.4Å; T899-Y976 PolarHBondContact OG1-OH 3.11Å; T899-Y976 VanDerWaalsContact OG1-OH 3.1Å; T899-V983 HydrophobicContact CG2-CG1 3.7Å; T899-F984 HydrophobicContact CG2-CE2 4.21Å; T899-F984 HydrophobicContact CG2-CZ 4.16Å
900	A	95.5	Very high	92.4	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-64.7	-44.6	178.8	0	0	0	0	0	111.8	V803 I818 T820 T896 I897 L902 S903 L904	V803-A900 HydrophobicContact CB-CB 4.34Å; V803-A900 HydrophobicContact CG2-CB 3.84Å; I818-A900 HydrophobicContact CG2-CB 4.28Å; T820-A900 HydrophobicContact CG2-CB 3.76Å; T820-A900 PolarHBondContact OG1-O 3.45Å; T820-A900 VanDerWaalsContact OG1-O 3.08Å; T896-A900 PolarHBondContact O-N 2.97Å; I897-A900 PolarHBondContact O-N 3.42Å; A900-L902 PolarHBondContact O-N 3Å; A900-S903 PolarHBondContact O-N 2.99Å; A900-L904 PolarHBondContact O-N 3.05Å
901	L	94.6	Very high	92.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-61.6	-43.5	176.5	-68.5	170.4	0	0	0	112.1	T820 L837 A858 L872 L877 I897 V898 L904 A905	T820-L901 HydrophobicContact CG2-CD2 3.89Å; T820-L901 HydrophobicContact CG2-CG 4.26Å; L837-L901 HydrophobicContact CD1-CD2 4.44Å; A858-L901 HydrophobicContact CB-CB 4.17Å; A858-L901 HydrophobicContact CB-CD1 4.12Å; L872-L901 HydrophobicContact CD2-CB 4.12Å; L872-L901 HydrophobicContact CD2-CD2 4.43Å; L877-L901 HydrophobicContact CD1-CD2 3.87Å; I897-L901 HydrophobicContact CG2-CD1 3.87Å; I897-L901 HydrophobicContact CG2-CG 4.43Å; I897-L901 WeakPolarHBondContact O-CG 3.43Å; I897-L901 PolarHBondContact O-N 2.85Å; V898-L901 PolarHBondContact O-N 3.48Å; L901-L904 PolarHBondContact O-N 2.93Å; L901-A905 VanDerWaalsContact O-CB 3.31Å; L901-A905 WeakPolarHBondContact O-CB 3.07Å; L901-A905 PolarHBondContact O-N 2.18Å
902	L	94.4	Very high	92.9	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	14%	0.142	C	C	.	.	H	α-helix	trans	-70.6	-34.8	176.9	-69.1	172.8	0	0	0	112.9	F861 L862 L872 V898 T899 A900 A905 T906 Y976 Y980	F861-L902 HydrophobicContact CD1-CD1 3.65Å; F861-L902 HydrophobicContact CD1-CD2 4.38Å; F861-L902 HydrophobicContact CE1-CD1 4.05Å; L862-L902 HydrophobicContact CB-CD2 3.87Å; L862-L902 HydrophobicContact CD1-CD2 4.08Å; L862-L902 HydrophobicContact CG-CD2 4.43Å; L872-L902 HydrophobicContact CD1-CD2 4.2Å; V898-L902 HydrophobicContact CG1-CD1 3.84Å; V898-L902 HydrophobicContact CG1-CG 4.43Å; V898-L902 WeakPolarHBondContact O-CB 3.24Å; V898-L902 WeakPolarHBondContact O-CG 3.29Å; V898-L902 PolarHBondContact O-N 3.11Å; T899-L902 PolarHBondContact O-N 3.45Å; A900-L902 PolarHBondContact O-N 3Å; L902-A905 PolarHBondContact O-N 2.77Å; L902-T906 WeakPolarHBondContact O-CB 3.32Å; L902-T906 WeakPolarHBondContact O-CG2 3.25Å; L902-T906 PolarHBondContact O-N 2.79Å; L902-T906 PolarHBondContact O-OG1 3.39Å; L902-Y976 HydrophobicContact CD1-CE1 3.67Å; L902-Y980 HydrophobicContact CD1-CD2 4.2Å; L902-Y980 HydrophobicContact CD1-CE2 4.37Å
903	S	94.9	Very high	92.9	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-62.1	-43	174.3	175.2	0	0	0	0	111.5	P800 G801 T899 A900 N907 R908	P800-S903 WeakPolarHBondContact CA-OG 3.49Å; G801-S903 PolarHBondContact N-OG 2.84Å; T899-S903 VanDerWaalsContact O-CB 3.22Å; T899-S903 WeakPolarHBondContact O-CB 3.45Å; T899-S903 PolarHBondContact O-N 2.85Å; A900-S903 PolarHBondContact O-N 2.99Å; S903-N907 WeakPolarHBondContact O-CA 3.26Å; S903-N907 PolarHBondContact O-N 3.02Å; S903-N907 VanDerWaalsContact O-N 3.11Å; S903-R908 WeakPolarHBondContact CB-O 3.35Å; S903-R908 PolarHBondContact O-N 2.96Å; S903-R908 VanDerWaalsContact O-N 3.08Å; S903-R908 PolarHBondContact OG-O 2.91Å
904	L	94	Very high	93	Very high	30 Å²	30	28.1 Å²	28.1	16%	0.157	14%	0.141	C	C	.	.	H	α-helix	trans	-66.5	-47.6	174.3	-174.5	66.7	0	0	0	111.5	F871 L877 A900 L901 T906 N907	F871-L904 HydrophobicContact CE1-CD2 4.15Å; F871-L904 HydrophobicContact CE1-CG 4Å; F871-L904 HydrophobicContact CZ-CD2 4.42Å; F871-L904 HydrophobicContact CZ-CG 4.2Å; L877-L904 HydrophobicContact CD2-CD2 3.81Å; A900-L904 PolarHBondContact O-N 3.05Å; L901-L904 PolarHBondContact O-N 2.93Å; L904-T906 VanDerWaalsContact C-N 3.35Å; L904-T906 PolarHBondContact O-N 2.85Å; L904-N907 PolarHBondContact O-N 2.97Å; L904-N907 VanDerWaalsContact O-N 3.11Å
905	A	91.3	Very high	93	Very high	10 Å²	10	28.1 Å²	28.1	8%	0.083	14%	0.141	C	C	.	.	H	α-helix	trans	-68.4	-28.1	-175.9	0	0	0	0	0	114.7	L862 N869 F871 L872 L901 L902	L862-A905 HydrophobicContact CD2-CB 3.86Å; N869-A905 PolarHBondContact ND2-O 2.81Å; F871-A905 HydrophobicContact CB-CB 4.33Å; F871-A905 HydrophobicContact CD1-CB 3.63Å; F871-A905 HydrophobicContact CE1-CB 4.33Å; F871-A905 HydrophobicContact CG-CB 4.31Å; L872-A905 HydrophobicContact CD1-CB 4.24Å; L872-A905 HydrophobicContact CD2-CB 3.88Å; L872-A905 HydrophobicContact CG-CB 3.73Å; L901-A905 VanDerWaalsContact O-CB 3.31Å; L901-A905 WeakPolarHBondContact O-CB 3.07Å; L901-A905 PolarHBondContact O-N 2.18Å; L902-A905 PolarHBondContact O-N 2.77Å
906	T	90.1	Very high	93	Very high	21 Å²	21	28.2 Å²	28.2	13%	0.129	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-7.2	173.2	59	0	0	0	0	112.9	L862 L902 L904 R908	L862-T906 HydrophobicContact CD1-CG2 4.47Å; L902-T906 WeakPolarHBondContact O-CB 3.32Å; L902-T906 WeakPolarHBondContact O-CG2 3.25Å; L902-T906 PolarHBondContact O-N 2.79Å; L902-T906 PolarHBondContact O-OG1 3.39Å; L904-T906 VanDerWaalsContact C-N 3.35Å; L904-T906 PolarHBondContact O-N 2.85Å; T906-R908 WeakPolarHBondContact O-CG 3.3Å; T906-R908 PolarHBondContact O-N 3.1Å
907	N	90.4	Very high	93	Very high	127 Å²	127	28.2 Å²	28.2	68%	0.679	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.1	37.4	-169.8	-164.6	26.8	0	0	0	113.7	S903 L904	S903-N907 WeakPolarHBondContact O-CA 3.26Å; S903-N907 PolarHBondContact O-N 3.02Å; S903-N907 VanDerWaalsContact O-N 3.11Å; L904-N907 PolarHBondContact O-N 2.97Å; L904-N907 VanDerWaalsContact O-N 3.11Å
908	R	91.4	Very high	92.9	Very high	130 Å²	130	28.2 Å²	28.2	49%	0.491	14%	0.141	S	C	.	.			trans	-112.6	130.1	177.7	-57.9	-174	-162.7	-161.8	9.7	110	E866 S903 T906 F984	E866-R908 IonicContact OE1-NH2 2.65Å; S903-R908 WeakPolarHBondContact CB-O 3.35Å; S903-R908 PolarHBondContact O-N 2.96Å; S903-R908 VanDerWaalsContact O-N 3.08Å; S903-R908 PolarHBondContact OG-O 2.91Å; T906-R908 WeakPolarHBondContact O-CG 3.3Å; T906-R908 PolarHBondContact O-N 3.1Å; R908-F984 HydrophobicContact CB-CD1 4.22Å; R908-F984 HydrophobicContact CB-CE1 4.4Å
909	S	90.9	Very high	92.8	Very high	65 Å²	65	31.2 Å²	31.2	46%	0.455	16%	0.155	S	C	.	.	P	Polyproline II helix	trans	-68.3	150.8	169.5	47.2	0	0	0	0	110.7	T798	T798-S909 WeakPolarHBondContact O-CB 3.35Å
910	V	92.8	Very high	92.8	Very high	9 Å²	9	31.3 Å²	31.3	6%	0.055	16%	0.156	C	C	.	.	P	Polyproline II helix	trans	-79.6	157.6	177.2	-65.6	0	0	0	0	112	T798 V803 T899 Q912 V983 F984	T798-V910 VanDerWaalsContact OG1-CG2 3.32Å; T798-V910 WeakPolarHBondContact OG1-CG2 3.45Å; V803-V910 HydrophobicContact CG2-CG1 3.82Å; V803-V910 HydrophobicContact CG2-CG2 4.38Å; T899-V910 HydrophobicContact CG2-CG1 3.88Å; V910-Q912 PolarHBondContact O-N 2.9Å; V910-Q912 PolarHBondContact O-NE2 3.24Å; V910-V983 HydrophobicContact CB-CG1 3.61Å; V910-V983 HydrophobicContact CG1-CG1 3.54Å; V910-F984 HydrophobicContact CG1-CE1 3.81Å; V910-F984 HydrophobicContact CG1-CZ 3.96Å
911	R	91.1	Very high	92.8	Very high	79 Å²	79	33.1 Å²	33.1	30%	0.298	17%	0.169	S	C	.	.	P	Polyproline II helix	trans	-51.4	125.6	169.7	-179.1	-177	172.9	-160	-5.9	110	V914 E969 I982 V983	R911-V914 HydrophobicContact CB-CG2 3.77Å; R911-V914 HydrophobicContact CG-CG2 3.65Å; R911-V914 WeakPolarHBondContact O-CG2 3.45Å; R911-E969 IonicContact CZ-OE2 2.83Å; R911-E969 VanDerWaalsContact CZ-OE2 3.3Å; R911-E969 IonicContact NH1-OE2 3.88Å; R911-E969 PolarHBondContact NH1-OE2 3.35Å; R911-E969 IonicContact NH2-OE2 2.88Å; R911-E969 PolarHBondContact NH2-OE2 3.06Å; R911-I982 WeakPolarHBondContact CD-O 3.37Å; R911-V983 WeakPolarHBondContact CB-O 3.32Å; R911-V983 PolarHBondContact N-O 2.74Å
912	Q	90.4	Very high	92.8	Very high	57 Å²	57	38.1 Å²	38.1	27%	0.266	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	152.9	-176	-60.3	-57.3	-55.2	0	0	111.9	T798 V910 V914	T798-Q912 PolarHBondContact OG1-NE2 2.94Å; T798-Q912 PolarHBondContact OG1-OE1 2.89Å; V910-Q912 PolarHBondContact O-N 2.9Å; V910-Q912 PolarHBondContact O-NE2 3.24Å; Q912-V914 PolarHBondContact O-N 2.92Å
913	N	88.7	Confident	92.7	Very high	51 Å²	51	42.4 Å²	42.4	27%	0.273	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	25.5	-176.7	-54.1	-22.7	0	0	0	114.6	R793 V944 T945 C946	R793-N913 VanDerWaalsContact CZ-OD1 3.31Å; R793-N913 PolarHBondContact NH1-OD1 3.1Å; R793-N913 PolarHBondContact NH2-OD1 3.33Å; N913-V944 WeakPolarHBondContact O-CG1 3.33Å; N913-T945 HydrophobicContact CB-CG2 4.29Å; N913-T945 WeakPolarHBondContact CB-OG1 3.36Å; N913-T945 PolarHBondContact O-N 3Å; N913-T945 PolarHBondContact O-OG1 3.35Å; N913-C946 PolarHBondContact O-N 2.83Å; N913-C946 VanDerWaalsContact O-N 3.12Å
914	V	92.4	Very high	92.5	Very high	9 Å²	9	42.4 Å²	42.4	6%	0.055	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	135.7	167.7	-179.7	0	0	0	0	109.9	R911 Q912 M916 C946 I948 V983	R911-V914 HydrophobicContact CB-CG2 3.77Å; R911-V914 HydrophobicContact CG-CG2 3.65Å; R911-V914 WeakPolarHBondContact O-CG2 3.45Å; Q912-V914 PolarHBondContact O-N 2.92Å; V914-M916 HydrophobicContact CG1-CE 4.06Å; V914-C946 VanDerWaalsContact CA-O 3.29Å; V914-C946 WeakPolarHBondContact CA-O 3.4Å; V914-C946 HydrophobicContact CG2-CB 3.97Å; V914-I948 HydrophobicContact CG1-CD1 4Å; V914-I948 HydrophobicContact CG1-CG1 4.27Å; V914-V983 HydrophobicContact CG1-CG2 4.47Å
915	A	93.3	Very high	92.6	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	148.2	164.3	0	0	0	0	0	110.9	M804 L806 V944 C946 M947 I948	M804-A915 HydrophobicContact CB-CB 4.28Å; M804-A915 HydrophobicContact CG-CB 4.14Å; M804-A915 WeakPolarHBondContact O-CA 3.33Å; M804-A915 HydrophobicContact SD-CB 3.92Å; L806-A915 HydrophobicContact CD1-CB 4.13Å; L806-A915 HydrophobicContact CD2-CB 3.72Å; L806-A915 HydrophobicContact CG-CB 3.84Å; A915-V944 HydrophobicContact CB-CG1 3.84Å; A915-V944 HydrophobicContact CB-CG2 3.82Å; A915-C946 PolarHBondContact N-O 3.24Å; A915-M947 VanDerWaalsContact O-CA 3.31Å; A915-M947 WeakPolarHBondContact O-CA 3.47Å; A915-I948 PolarHBondContact O-N 3.48Å
916	M	94.8	Very high	92.9	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.01	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	158.2	-177.2	68.8	-161.7	74	0	0	113.1	V803 M804 G805 L806 T896 T899 V914 I948 I979 V983	V803-M916 HydrophobicContact CG1-CE 3.77Å; V803-M916 HydrophobicContact CG1-SD 4.39Å; M804-M916 PolarHBondContact O-N 3.45Å; G805-M916 WeakPolarHBondContact CA-O 3.5Å; L806-M916 PolarHBondContact N-O 2.86Å; T896-M916 HydrophobicContact CG2-CB 4.47Å; T896-M916 HydrophobicContact CG2-CG 3.27Å; T896-M916 WeakPolarHBondContact CG2-O 2.99Å; T896-M916 HydrophobicContact CG2-SD 4.23Å; T899-M916 HydrophobicContact CG2-CE 4.11Å; T899-M916 HydrophobicContact CG2-SD 4.31Å; T899-M916 PolarHBondContact OG1-SD 3.39Å; V914-M916 HydrophobicContact CG1-CE 4.06Å; M916-I948 WeakPolarHBondContact CA-O 3.46Å; M916-I948 HydrophobicContact CB-CB 3.73Å; M916-I948 HydrophobicContact CB-CD1 4.5Å; M916-I948 HydrophobicContact CB-CG1 4.43Å; M916-I948 HydrophobicContact CB-CG2 4.43Å; M916-I948 HydrophobicContact CE-CD1 4.41Å; M916-I979 HydrophobicContact SD-CG2 4.17Å; M916-V983 HydrophobicContact CE-CG1 4.23Å; M916-V983 HydrophobicContact CE-CG2 3.73Å
917	T	94.4	Very high	93.1	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.012	25%	0.25	C	S	.	.			trans	-149.3	149.5	172.9	-170.4	0	0	0	0	109.1	S892 V929 K935 I948 P950	S892-T917 PolarHBondContact O-OG1 3.04Å; S892-T917 VanDerWaalsContact O-OG1 3.06Å; T917-V929 HydrophobicContact CG2-CG2 3.81Å; T917-K935 HydrophobicContact CG2-CD 4.03Å; T917-K935 PolarHBondContact OG1-NZ 2.92Å; T917-I948 PolarHBondContact N-O 2.96Å; T917-P950 WeakPolarHBondContact O-CD 3.32Å
918	G	93.8	Very high	93.3	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.235	C	C	.	.			trans	153.9	129.1	-173.5	0	0	0	0	0	110.2	S892 G894 C895	S892-G918 PolarHBondContact O-N 2.99Å; G894-G918 PolarHBondContact N-O 3.45Å; C895-G918 PolarHBondContact N-O 3.36Å; C895-G918 PolarHBondContact SG-N 2.61Å; C895-G918 VanDerWaalsContact SG-N 3.38Å; C895-G918 PolarHBondContact SG-O 3.48Å
919	E	94.4	Very high	93.3	Very high	63 Å²	63	40.4 Å²	40.4	29%	0.294	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	146.9	166.6	166.5	174.1	175.6	0	0	109.4	P891 I926 L927 V929	P891-E919 HydrophobicContact CB-CB 4.2Å; P891-E919 HydrophobicContact CB-CG 3.9Å; P891-E919 HydrophobicContact CG-CB 4.31Å; P891-E919 HydrophobicContact CG-CG 4.16Å; P891-E919 WeakPolarHBondContact CG-OE2 3.34Å; P891-E919 WeakPolarHBondContact O-CA 2.28Å; E919-I926 CarbonylContact O-C 3.58Å; E919-I926 VanDerWaalsContact O-CA 3.3Å; E919-I926 WeakPolarHBondContact O-CA 2.94Å; E919-L927 HydrophobicContact CB-CB 4.1Å; E919-L927 HydrophobicContact CG-CB 4.15Å; E919-L927 HydrophobicContact CG-CD1 4.18Å; E919-L927 PolarHBondContact O-N 3.48Å; E919-V929 HydrophobicContact CB-CG1 4.43Å
920	V	95.6	Very high	93.1	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.012	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	129.2	-178.3	74.1	0	0	0	0	110.6	I853 A854 F857 V898	I853-V920 HydrophobicContact CG2-CG1 4.48Å; I853-V920 VanDerWaalsContact CG2-O 3.23Å; I853-V920 WeakPolarHBondContact CG2-O 2.73Å; A854-V920 HydrophobicContact CB-CG1 4.01Å; F857-V920 HydrophobicContact CD1-CG2 4.15Å; V898-V920 HydrophobicContact CG2-CG1 4.04Å; V898-V920 HydrophobicContact CG2-CG2 4.41Å
921	S	95.4	Very high	92.7	Very high	38 Å²	38	40.6 Å²	40.6	27%	0.266	23%	0.229	S	C	.	.			trans	-79.2	156.6	170.8	179	0	0	0	0	110.8	T923 G924 K925	S921-T923 WeakPolarHBondContact CB-OG1 3.4Å; S921-T923 PolarHBondContact O-N 3.19Å; S921-T923 PolarHBondContact OG-N 3.39Å; S921-T923 PolarHBondContact OG-OG1 3.23Å; S921-G924 PolarHBondContact O-N 2.87Å; S921-K925 PolarHBondContact N-O 3.37Å
922	L	93.6	Very high	92.6	Very high	105 Å²	105	37.1 Å²	37.1	55%	0.55	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-22.9	166.9	-70	171.5	0	0	0	113.3	I853 T856	I853-L922 HydrophobicContact CB-CD2 4.3Å; I853-L922 HydrophobicContact CG1-CD2 4.3Å; I853-L922 HydrophobicContact CG1-CG 4.49Å; I853-L922 HydrophobicContact CG2-CD2 3.95Å; I853-L922 HydrophobicContact CG2-CG 4.03Å; T856-L922 HydrophobicContact CG2-CD2 3.84Å
923	T	92.6	Very high	92.3	Very high	91 Å²	91	37.3 Å²	37.3	56%	0.558	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-9.7	176.8	57.7	0	0	0	0	114.6	S921 H975	S921-T923 WeakPolarHBondContact CB-OG1 3.4Å; S921-T923 PolarHBondContact O-N 3.19Å; S921-T923 PolarHBondContact OG-N 3.39Å; S921-T923 PolarHBondContact OG-OG1 3.23Å; T923-H975 PolarHBondContact O-NE2 2.75Å
924	G	91.8	Very high	92	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.214	C	C	.	.	S	Bend	trans	88.6	-4.5	-173.9	0	0	0	0	0	115.4	S921 H975 Y976	S921-G924 PolarHBondContact O-N 2.87Å; G924-H975 PolarHBondContact O-CD2 3.26Å; G924-Y976 PolarHBondContact O-N 2.84Å
925	K	96.1	Very high	91.8	Very high	133 Å²	133	36.8 Å²	36.8	58%	0.578	21%	0.211	S	C	*	.	B	Isolated β-bridge	trans	-60.5	143.4	168.7	-77.2	-166.1	173	-166.9	0	111.1	S921 H975	S921-K925 PolarHBondContact N-O 3.37Å; K925-H975 PolarHBondContact N-CD2 3.11Å
926	I	96.6	Very high	91.6	Very high	12 Å²	12	36.8 Å²	36.8	6%	0.062	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	125.3	176.6	-56.2	167.4	0	0	0	108.1	E919 P950 V973 D974 I979	E919-I926 CarbonylContact O-C 3.58Å; E919-I926 VanDerWaalsContact O-CA 3.3Å; E919-I926 WeakPolarHBondContact O-CA 2.94Å; I926-P950 HydrophobicContact CG2-CB 3.97Å; I926-P950 HydrophobicContact CG2-CG 3.84Å; I926-V973 HydrophobicContact CD1-CB 3.82Å; I926-V973 HydrophobicContact CD1-CG2 3.46Å; I926-V973 VanDerWaalsContact CD1-CG2 3.46Å; I926-D974 PolarHBondContact N-O 3.07Å; I926-I979 HydrophobicContact CD1-CD1 3.57Å; I926-I979 HydrophobicContact CD1-CG1 3.88Å
927	L	94.6	Very high	91	Very high	65 Å²	65	38.5 Å²	38.5	34%	0.34	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	151.5	-177.3	-62.3	-179.3	0	0	0	111.4	E919 P950	E919-L927 HydrophobicContact CB-CB 4.1Å; E919-L927 HydrophobicContact CG-CB 4.15Å; E919-L927 HydrophobicContact CG-CD1 4.18Å; E919-L927 PolarHBondContact O-N 3.48Å; L927-P950 VanDerWaalsContact O-CG 3.24Å; L927-P950 WeakPolarHBondContact O-CG 3.47Å
928	P	94	Very high	90.4	Very high	54 Å²	54	38.4 Å²	38.4	35%	0.351	22%	0.219	S	C	.	.	P	Polyproline II helix	trans	-60.7	151.6	179.9	26.5	-37.3	0	0	0	112.6	E952 N953	P928-E952 HydrophobicContact CB-CB 4.14Å; P928-E952 WeakPolarHBondContact CG-OE2 3.47Å; P928-N953 WeakPolarHBondContact CA-OD1 3.45Å
929	V	92.1	Very high	90	Very high	11 Å²	11	38.4 Å²	38.4	7%	0.067	22%	0.219	C	C	.	.			trans	-134.7	144.1	-176.9	-59.9	0	0	0	0	112.2	S892 T917 E919 I932 P950 N953	S892-V929 VanDerWaalsContact CB-CG1 3.42Å; T917-V929 HydrophobicContact CG2-CG2 3.81Å; E919-V929 HydrophobicContact CB-CG1 4.43Å; V929-I932 HydrophobicContact CG2-CD1 3.94Å; V929-P950 HydrophobicContact CG1-CG 4.45Å; V929-P950 HydrophobicContact CG2-CG 4.16Å; V929-N953 PolarHBondContact N-OD1 2.74Å; V929-N953 PolarHBondContact O-ND2 3.11Å; V929-N953 PolarHBondContact O-OD1 2.96Å
930	G	87	Confident	89.5	Confident	59 Å²	59	39.5 Å²	39.5	61%	0.608	22%	0.221	S	C	*	.	S	Bend	trans	-72.2	166.7	175.6	0	0	0	0	0	114.2	K935	G930-K935 WeakPolarHBondContact O-CE 3.42Å; G930-K935 PolarHBondContact O-NZ 3.11Å
931	G	84.9	Confident	88.6	Confident	20 Å²	20	45.1 Å²	45.1	21%	0.206	24%	0.242	C	C	.	.			trans	77.1	29	169.7	0	0	0	0	0	115.4	K933 E934 K935	G931-K933 VanDerWaalsContact C-N 3.32Å; G931-K933 PolarHBondContact O-N 3.41Å; G931-E934 PolarHBondContact O-N 2.62Å; G931-K935 VanDerWaalsContact O-CB 3.32Å; G931-K935 WeakPolarHBondContact O-CB 3.42Å; G931-K935 VanDerWaalsContact O-CG 3.24Å; G931-K935 WeakPolarHBondContact O-CG 3.49Å; G931-K935 PolarHBondContact O-N 3.49Å
932	I	89	Confident	87.9	Confident	6 Å²	6	43.8 Å²	43.8	3%	0.031	23%	0.234	C	C	.	.	H	α-helix	trans	-59.4	-39.3	-176.2	-58.5	-59.2	0	0	0	112.4	V929 K935 T936 I949 N953 D956 F957	V929-I932 HydrophobicContact CG2-CD1 3.94Å; I932-K935 PolarHBondContact O-N 2.86Å; I932-T936 HydrophobicContact CG2-CG2 4.29Å; I932-T936 WeakPolarHBondContact O-CB 3.32Å; I932-T936 WeakPolarHBondContact O-CG2 3.47Å; I932-T936 PolarHBondContact O-N 3.49Å; I932-T936 PolarHBondContact O-OG1 3.34Å; I932-I949 HydrophobicContact CD1-CG2 4.04Å; I932-N953 HydrophobicContact CD1-CB 4.04Å; I932-N953 HydrophobicContact CG1-CB 4.06Å; I932-D956 HydrophobicContact CB-CB 4.07Å; I932-D956 HydrophobicContact CG1-CB 4.04Å; I932-D956 HydrophobicContact CG2-CB 4.41Å; I932-F957 HydrophobicContact CG2-CB 4.39Å; I932-F957 HydrophobicContact CG2-CD2 4.44Å
933	K	83.9	Confident	87.3	Confident	60 Å²	60	40.7 Å²	40.7	26%	0.261	23%	0.227	S	C	.	.	H	α-helix	trans	-60.2	-49.2	175.3	-174.5	168.9	-170.8	175.1	0	111.5	S697 G931 T936 I937 L960	S697-K933 PolarHBondContact OG-NZ 3.08Å; G931-K933 VanDerWaalsContact C-N 3.32Å; G931-K933 PolarHBondContact O-N 3.41Å; K933-T936 PolarHBondContact O-OG1 3Å; K933-I937 HydrophobicContact CG-CD1 4.06Å; K933-I937 VanDerWaalsContact O-CD1 3.3Å; K933-I937 WeakPolarHBondContact O-CD1 3.04Å; K933-I937 WeakPolarHBondContact O-CG1 3.32Å; K933-I937 PolarHBondContact O-N 3.3Å; K933-I937 VanDerWaalsContact O-N 3.16Å; K933-L960 HydrophobicContact CB-CD2 3.69Å; K933-L960 HydrophobicContact CD-CD2 4.28Å; K933-L960 HydrophobicContact CG-CD2 3.78Å
934	E	82.3	Confident	87.1	Confident	48 Å²	48	36.7 Å²	36.7	22%	0.224	20%	0.202	C	C	.	.	H	α-helix	trans	-68.3	-40.3	-179.9	-68.8	66.6	-143.7	0	0	112.2	G931 A938	G931-E934 PolarHBondContact O-N 2.62Å; E934-A938 WeakPolarHBondContact O-CB 3.44Å; E934-A938 PolarHBondContact O-N 3.49Å
935	K	87.9	Confident	87	Confident	1 Å²	1	39.9 Å²	39.9	0%	0.004	22%	0.222	C	C	.	.	H	α-helix	trans	-67	-42.2	179.1	-73.7	174.4	178.1	176	0	112.3	L806 S892 T917 G930 G931 I932 A938 A939 M947	L806-K935 HydrophobicContact CB-CB 3.97Å; L806-K935 HydrophobicContact CB-CD 4.2Å; L806-K935 HydrophobicContact CB-CG 3.95Å; L806-K935 HydrophobicContact CD1-CB 4.29Å; L806-K935 VanDerWaalsContact O-CE 3.27Å; L806-K935 WeakPolarHBondContact O-CE 3.24Å; S892-K935 PolarHBondContact OG-NZ 3.02Å; T917-K935 HydrophobicContact CG2-CD 4.03Å; T917-K935 PolarHBondContact OG1-NZ 2.92Å; G930-K935 WeakPolarHBondContact O-CE 3.42Å; G930-K935 PolarHBondContact O-NZ 3.11Å; G931-K935 VanDerWaalsContact O-CB 3.32Å; G931-K935 WeakPolarHBondContact O-CB 3.42Å; G931-K935 VanDerWaalsContact O-CG 3.24Å; G931-K935 WeakPolarHBondContact O-CG 3.49Å; G931-K935 PolarHBondContact O-N 3.49Å; I932-K935 PolarHBondContact O-N 2.86Å; K935-A938 PolarHBondContact O-N 3.08Å; K935-A939 WeakPolarHBondContact O-CB 3.39Å; K935-A939 PolarHBondContact O-N 3.48Å; K935-M947 HydrophobicContact CB-CE 4.28Å
936	T	88	Confident	86.8	Confident	1 Å²	1	33.6 Å²	33.6	1%	0.006	19%	0.194	C	C	.	.	H	α-helix	trans	-65.1	-42.5	174.8	48.8	0	0	0	0	112.1	I932 K933 A938 A939 R940 M947 F957 L960 L968	I932-T936 HydrophobicContact CG2-CG2 4.29Å; I932-T936 WeakPolarHBondContact O-CB 3.32Å; I932-T936 WeakPolarHBondContact O-CG2 3.47Å; I932-T936 PolarHBondContact O-N 3.49Å; I932-T936 PolarHBondContact O-OG1 3.34Å; K933-T936 PolarHBondContact O-OG1 3Å; T936-A938 VanDerWaalsContact C-N 3.3Å; T936-A938 PolarHBondContact O-N 3.25Å; T936-A939 PolarHBondContact O-N 2.97Å; T936-R940 WeakPolarHBondContact O-CB 3.35Å; T936-R940 PolarHBondContact O-N 3.27Å; T936-M947 HydrophobicContact CG2-CE 3.58Å; T936-M947 HydrophobicContact CG2-SD 3.66Å; T936-F957 HydrophobicContact CG2-CD2 3.9Å; T936-F957 HydrophobicContact CG2-CE2 3.78Å; T936-L960 HydrophobicContact CG2-CD1 3.96Å; T936-L968 HydrophobicContact CG2-CD2 4.46Å
937	I	82.1	Confident	86.7	Confident	37 Å²	37	33 Å²	33	19%	0.19	19%	0.192	C	C	.	.	H	α-helix	trans	-59.6	-40.9	173.5	-68.3	164.3	0	0	0	111.1	V700 K933 R941 I964	V700-I937 HydrophobicContact CG2-CD1 3.76Å; V700-I937 HydrophobicContact CG2-CG1 4.04Å; K933-I937 HydrophobicContact CG-CD1 4.06Å; K933-I937 VanDerWaalsContact O-CD1 3.3Å; K933-I937 WeakPolarHBondContact O-CD1 3.04Å; K933-I937 WeakPolarHBondContact O-CG1 3.32Å; K933-I937 PolarHBondContact O-N 3.3Å; K933-I937 VanDerWaalsContact O-N 3.16Å; I937-R941 WeakPolarHBondContact O-CB 3.3Å; I937-R941 PolarHBondContact O-N 2.84Å; I937-I964 HydrophobicContact CD1-CD1 4.31Å; I937-I964 HydrophobicContact CG1-CD1 4.22Å; I937-I964 HydrophobicContact CG1-CG2 4.37Å
938	A	82.1	Confident	86.7	Confident	0 Å²	0	30 Å²	30	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-67.3	-46.5	177.4	0	0	0	0	0	112.8	G813 E934 K935 T936 R940 R941 A942	G813-A938 WeakPolarHBondContact O-CB 3.48Å; E934-A938 WeakPolarHBondContact O-CB 3.44Å; E934-A938 PolarHBondContact O-N 3.49Å; K935-A938 PolarHBondContact O-N 3.08Å; T936-A938 VanDerWaalsContact C-N 3.3Å; T936-A938 PolarHBondContact O-N 3.25Å; A938-R940 VanDerWaalsContact C-N 3.33Å; A938-R940 PolarHBondContact O-N 2.91Å; A938-R941 WeakPolarHBondContact O-CB 3.47Å; A938-R941 PolarHBondContact O-N 3.43Å; A938-R941 VanDerWaalsContact O-N 3.16Å; A938-A942 PolarHBondContact O-N 2.92Å
939	A	86.5	Confident	86.8	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-54.3	-50.2	175.6	0	0	0	0	0	111	L806 K935 T936 R941 A942 G943 V944 M947	L806-A939 HydrophobicContact CD1-CB 4.03Å; L806-A939 HydrophobicContact CD2-CB 3.82Å; K935-A939 WeakPolarHBondContact O-CB 3.39Å; K935-A939 PolarHBondContact O-N 3.48Å; T936-A939 PolarHBondContact O-N 2.97Å; A939-R941 VanDerWaalsContact C-N 3.34Å; A939-R941 PolarHBondContact O-N 3.31Å; A939-A942 PolarHBondContact O-N 2.97Å; A939-G943 PolarHBondContact O-N 3.19Å; A939-V944 HydrophobicContact CB-CB 3.89Å; A939-V944 HydrophobicContact CB-CG1 4.15Å; A939-V944 HydrophobicContact CB-CG2 4.04Å; A939-V944 VanDerWaalsContact O-CB 3.25Å; A939-V944 WeakPolarHBondContact O-CB 3.26Å; A939-V944 VanDerWaalsContact O-CG2 3.3Å; A939-V944 WeakPolarHBondContact O-CG2 3.22Å; A939-V944 PolarHBondContact O-N 2.89Å; A939-M947 HydrophobicContact CB-SD 4.02Å
940	R	82.7	Confident	87	Confident	87 Å²	87	26.9 Å²	26.9	33%	0.328	16%	0.156	S	C	.	.	H	α-helix	trans	-63.7	-36.6	178.7	-158.5	179.5	-166	-148.1	18.1	112.6	T936 A938 A942 G943 Y963 E966	T936-R940 WeakPolarHBondContact O-CB 3.35Å; T936-R940 PolarHBondContact O-N 3.27Å; A938-R940 VanDerWaalsContact C-N 3.33Å; A938-R940 PolarHBondContact O-N 2.91Å; R940-A942 VanDerWaalsContact C-N 3.3Å; R940-A942 PolarHBondContact O-N 2.79Å; R940-G943 PolarHBondContact O-N 3.38Å; R940-Y963 PolarHBondContact NH1-O 2.66Å; R940-Y963 PolarHBondContact NH2-O 2.85Å; R940-E966 PolarHBondContact NE-O 2.92Å; R940-E966 PolarHBondContact NH2-O 3.42Å
941	R	77.7	Confident	87.4	Confident	119 Å²	119	25.3 Å²	25.3	45%	0.449	14%	0.137	S	C	.	.	H	α-helix	trans	-64.6	-32.1	175.8	-170.3	178	72	-126.7	-3.3	112.7	D792 G813 I937 A938 A939	D792-R941 IonicContact OD2-CZ 3.64Å; D792-R941 IonicContact OD2-NE 3.31Å; D792-R941 PolarHBondContact OD2-NE 2.87Å; D792-R941 IonicContact OD2-NH2 2.65Å; D792-R941 PolarHBondContact OD2-NH2 3.19Å; G813-R941 PolarHBondContact O-NH1 3.21Å; G813-R941 PolarHBondContact O-NH2 3.47Å; G813-R941 VanDerWaalsContact O-NH2 3.12Å; I937-R941 WeakPolarHBondContact O-CB 3.3Å; I937-R941 PolarHBondContact O-N 2.84Å; A938-R941 WeakPolarHBondContact O-CB 3.47Å; A938-R941 PolarHBondContact O-N 3.43Å; A938-R941 VanDerWaalsContact O-N 3.16Å; A939-R941 VanDerWaalsContact C-N 3.34Å; A939-R941 PolarHBondContact O-N 3.31Å
942	A	80.2	Confident	87.8	Confident	11 Å²	11	30.5 Å²	30.5	9%	0.091	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-0.3	176	0	0	0	0	0	114.4	D792 T815 A938 A939 R940 V944	D792-A942 HydrophobicContact CB-CB 4.49Å; T815-A942 HydrophobicContact CG2-CB 3.58Å; A938-A942 PolarHBondContact O-N 2.92Å; A939-A942 PolarHBondContact O-N 2.97Å; R940-A942 VanDerWaalsContact C-N 3.3Å; R940-A942 PolarHBondContact O-N 2.79Å; A942-V944 HydrophobicContact CB-CG2 4.43Å
943	G	81.1	Confident	88	Confident	40 Å²	40	30.5 Å²	30.5	41%	0.412	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.3	26.3	-177.8	0	0	0	0	0	114.3	A939 R940	A939-G943 PolarHBondContact O-N 3.19Å; R940-G943 PolarHBondContact O-N 3.38Å
944	V	88.1	Confident	88.4	Confident	7 Å²	7	34.9 Å²	34.9	4%	0.042	17%	0.171	C	C	.	.			trans	-65.8	132.4	170.3	176.1	0	0	0	0	109.2	M804 N913 A915 A939 A942 C946 L968	M804-V944 HydrophobicContact CE-CG2 4.21Å; M804-V944 HydrophobicContact SD-CG2 3.47Å; M804-V944 WeakPolarHBondContact SD-CG2 3.24Å; N913-V944 WeakPolarHBondContact O-CG1 3.33Å; A915-V944 HydrophobicContact CB-CG1 3.84Å; A915-V944 HydrophobicContact CB-CG2 3.82Å; A939-V944 HydrophobicContact CB-CB 3.89Å; A939-V944 HydrophobicContact CB-CG1 4.15Å; A939-V944 HydrophobicContact CB-CG2 4.04Å; A939-V944 VanDerWaalsContact O-CB 3.25Å; A939-V944 WeakPolarHBondContact O-CB 3.26Å; A939-V944 VanDerWaalsContact O-CG2 3.3Å; A939-V944 WeakPolarHBondContact O-CG2 3.22Å; A939-V944 PolarHBondContact O-N 2.89Å; A942-V944 HydrophobicContact CB-CG2 4.43Å; V944-C946 WeakPolarHBondContact CG1-O 3.43Å; V944-L968 HydrophobicContact CG1-CD1 4.34Å; V944-L968 WeakPolarHBondContact O-CD1 3.43Å
945	T	89.7	Confident	88.8	Confident	67 Å²	67	39.9 Å²	39.9	41%	0.411	19%	0.192	S	C	.	.			trans	-103.4	-25	177.6	55.6	0	0	0	0	112.5	N913 E969	N913-T945 HydrophobicContact CB-CG2 4.29Å; N913-T945 WeakPolarHBondContact CB-OG1 3.36Å; N913-T945 PolarHBondContact O-N 3Å; N913-T945 PolarHBondContact O-OG1 3.35Å; T945-E969 WeakPolarHBondContact O-CB 3.36Å; T945-E969 PolarHBondContact O-N 2.96Å
946	C	92.6	Very high	88.8	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	128.8	-179.3	167.6	0	0	0	0	110.5	N913 V914 A915 V944 E969	N913-C946 PolarHBondContact O-N 2.83Å; N913-C946 VanDerWaalsContact O-N 3.12Å; V914-C946 VanDerWaalsContact CA-O 3.29Å; V914-C946 WeakPolarHBondContact CA-O 3.4Å; V914-C946 HydrophobicContact CG2-CB 3.97Å; A915-C946 PolarHBondContact N-O 3.24Å; V944-C946 WeakPolarHBondContact CG1-O 3.43Å; C946-E969 CarbonylContact C-O 3.46Å; C946-E969 VanDerWaalsContact CA-O 3.3Å; C946-E969 WeakPolarHBondContact CA-O 3.48Å; C946-E969 HydrophobicContact CB-CB 4.37Å
947	M	93.9	Very high	88.8	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	133.3	-179.3	-176.5	164.5	163.8	0	0	111.5	L806 A915 K935 T936 A939 I949 L968 E969 V970 Y971	L806-M947 HydrophobicContact CD1-CE 3.32Å; L806-M947 HydrophobicContact CD1-CG 3.92Å; L806-M947 HydrophobicContact CD1-SD 3.47Å; L806-M947 WeakPolarHBondContact CD1-SD 3.35Å; A915-M947 VanDerWaalsContact O-CA 3.31Å; A915-M947 WeakPolarHBondContact O-CA 3.47Å; K935-M947 HydrophobicContact CB-CE 4.28Å; T936-M947 HydrophobicContact CG2-CE 3.58Å; T936-M947 HydrophobicContact CG2-SD 3.66Å; A939-M947 HydrophobicContact CB-SD 4.02Å; M947-I949 HydrophobicContact CE-CD1 3.63Å; M947-I949 HydrophobicContact CE-CG1 3.75Å; M947-I949 HydrophobicContact CG-CD1 4.09Å; M947-I949 HydrophobicContact CG-CG1 3.83Å; M947-I949 HydrophobicContact SD-CD1 4.23Å; M947-I949 HydrophobicContact SD-CG1 4.46Å; M947-L968 HydrophobicContact CB-CD1 4.21Å; M947-L968 HydrophobicContact CB-CD2 3.92Å; M947-L968 HydrophobicContact CB-CG 4.1Å; M947-L968 HydrophobicContact SD-CD2 3.98Å; M947-E969 PolarHBondContact N-O 3.44Å; M947-V970 HydrophobicContact CB-CG2 4.44Å; M947-V970 WeakPolarHBondContact O-CA 3.46Å; M947-Y971 PolarHBondContact O-N 3.11Å
948	I	95.4	Very high	89.1	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	127.8	178.4	-54.3	178.1	0	0	0	109	V914 A915 M916 T917 V973 I979 I982 V983	V914-I948 HydrophobicContact CG1-CD1 4Å; V914-I948 HydrophobicContact CG1-CG1 4.27Å; A915-I948 PolarHBondContact O-N 3.48Å; M916-I948 WeakPolarHBondContact CA-O 3.46Å; M916-I948 HydrophobicContact CB-CB 3.73Å; M916-I948 HydrophobicContact CB-CD1 4.5Å; M916-I948 HydrophobicContact CB-CG1 4.43Å; M916-I948 HydrophobicContact CB-CG2 4.43Å; M916-I948 HydrophobicContact CE-CD1 4.41Å; T917-I948 PolarHBondContact N-O 2.96Å; I948-V973 HydrophobicContact CG2-CG1 4.22Å; I948-V973 HydrophobicContact CG2-CG2 3.52Å; I948-I979 HydrophobicContact CD1-CG2 4.18Å; I948-I979 HydrophobicContact CG2-CD1 4.02Å; I948-I979 HydrophobicContact CG2-CG1 3.98Å; I948-I982 HydrophobicContact CD1-CB 4.37Å; I948-I982 HydrophobicContact CD1-CG2 3.91Å; I948-I982 HydrophobicContact CG1-CG2 4.44Å; I948-V983 HydrophobicContact CD1-CG2 3.56Å
949	I	95.2	Very high	89.1	Confident	0 Å²	0	52 Å²	52	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	145.1	-169.3	-51.7	-177.4	0	0	0	109.3	I932 M947 N953 F957 V970 Y971 F972 V973	I932-I949 HydrophobicContact CD1-CG2 4.04Å; M947-I949 HydrophobicContact CE-CD1 3.63Å; M947-I949 HydrophobicContact CE-CG1 3.75Å; M947-I949 HydrophobicContact CG-CD1 4.09Å; M947-I949 HydrophobicContact CG-CG1 3.83Å; M947-I949 HydrophobicContact SD-CD1 4.23Å; M947-I949 HydrophobicContact SD-CG1 4.46Å; I949-N953 HydrophobicContact CG2-CB 3.71Å; I949-F957 HydrophobicContact CD1-CD2 3.87Å; I949-F957 HydrophobicContact CD1-CE2 4.37Å; I949-F957 HydrophobicContact CD1-CG 4.47Å; I949-V970 HydrophobicContact CD1-CG1 3.57Å; I949-V970 HydrophobicContact CG1-CG1 4.05Å; I949-Y971 PolarHBondContact N-O 2.83Å; I949-F972 HydrophobicContact CB-CD1 4.41Å; I949-F972 HydrophobicContact CB-CE1 4.42Å; I949-F972 HydrophobicContact CG2-CE1 4.48Å; I949-F972 WeakPolarHBondContact O-CA 3.43Å; I949-V973 WeakPolarHBondContact O-CG2 3.26Å; I949-V973 PolarHBondContact O-N 2.63Å
950	P	96.6	Very high	89	Confident	1 Å²	1	52.4 Å²	52.4	1%	0.006	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	142.2	172.4	-21.1	34	0	0	0	111.5	T917 I926 L927 V929 E952 N953 V973	T917-P950 WeakPolarHBondContact O-CD 3.32Å; I926-P950 HydrophobicContact CG2-CB 3.97Å; I926-P950 HydrophobicContact CG2-CG 3.84Å; L927-P950 VanDerWaalsContact O-CG 3.24Å; L927-P950 WeakPolarHBondContact O-CG 3.47Å; V929-P950 HydrophobicContact CG1-CG 4.45Å; V929-P950 HydrophobicContact CG2-CG 4.16Å; P950-E952 VanDerWaalsContact C-N 3.3Å; P950-E952 PolarHBondContact O-N 3.4Å; P950-N953 WeakPolarHBondContact CG-OD1 3.23Å; P950-N953 WeakPolarHBondContact O-CB 3.46Å; P950-N953 PolarHBondContact O-N 3.47Å; P950-N953 VanDerWaalsContact O-N 3.13Å; P950-V973 CarbonylContact C-O 3.59Å; P950-V973 WeakPolarHBondContact CA-O 3.34Å
951	A	95.3	Very high	88.8	Confident	25 Å²	25	50.4 Å²	50.4	21%	0.207	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-63.8	-32.8	-173.7	0	0	0	0	0	113.8	N953 R954 F972 V973 D974	A951-N953 VanDerWaalsContact C-N 3.27Å; A951-N953 PolarHBondContact O-N 2.92Å; A951-R954 WeakPolarHBondContact O-CB 3.41Å; A951-R954 PolarHBondContact O-N 3.4Å; A951-R954 VanDerWaalsContact O-N 3.11Å; A951-F972 HydrophobicContact CB-CB 4.31Å; A951-V973 PolarHBondContact N-O 2.97Å; A951-D974 VanDerWaalsContact CB-OD1 3.29Å; A951-D974 WeakPolarHBondContact CB-OD1 3.29Å
952	E	93.2	Very high	89	Confident	129 Å²	129	49.4 Å²	49.4	60%	0.603	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-62.1	-32.7	176.2	-67.6	-172.8	-170.1	0	0	112.8	P928 P950 R954	P928-E952 HydrophobicContact CB-CB 4.14Å; P928-E952 WeakPolarHBondContact CG-OE2 3.47Å; P950-E952 VanDerWaalsContact C-N 3.3Å; P950-E952 PolarHBondContact O-N 3.4Å; E952-R954 PolarHBondContact O-N 2.92Å; E952-R954 VanDerWaalsContact O-N 3.13Å
953	N	93.9	Very high	89	Confident	7 Å²	7	51.9 Å²	51.9	4%	0.037	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-72.7	4.5	175.9	-71.6	123.1	0	0	0	113.9	P928 V929 I932 I949 P950 A951 K955 D956 F957	P928-N953 WeakPolarHBondContact CA-OD1 3.45Å; V929-N953 PolarHBondContact N-OD1 2.74Å; V929-N953 PolarHBondContact O-ND2 3.11Å; V929-N953 PolarHBondContact O-OD1 2.96Å; I932-N953 HydrophobicContact CD1-CB 4.04Å; I932-N953 HydrophobicContact CG1-CB 4.06Å; I949-N953 HydrophobicContact CG2-CB 3.71Å; P950-N953 WeakPolarHBondContact CG-OD1 3.23Å; P950-N953 WeakPolarHBondContact O-CB 3.46Å; P950-N953 PolarHBondContact O-N 3.47Å; P950-N953 VanDerWaalsContact O-N 3.13Å; A951-N953 VanDerWaalsContact C-N 3.27Å; A951-N953 PolarHBondContact O-N 2.92Å; N953-K955 PolarHBondContact O-N 2.97Å; N953-D956 WeakPolarHBondContact CA-OD2 3.45Å; N953-D956 PolarHBondContact ND2-OD2 3.16Å; N953-D956 PolarHBondContact O-N 2.98Å; N953-F957 PolarHBondContact O-N 2.95Å; N953-F957 VanDerWaalsContact O-N 3.16Å
954	R	92.4	Very high	89	Confident	151 Å²	151	50.1 Å²	50.1	57%	0.57	25%	0.254	S	S	*	.	H	α-helix	trans	-54.6	-34.2	174.4	175.2	175.4	-78.6	-167	-2.5	112.7	A951 E952 F957 S958 F972	A951-R954 WeakPolarHBondContact O-CB 3.41Å; A951-R954 PolarHBondContact O-N 3.4Å; A951-R954 VanDerWaalsContact O-N 3.11Å; E952-R954 PolarHBondContact O-N 2.92Å; E952-R954 VanDerWaalsContact O-N 3.13Å; R954-F957 PolarHBondContact O-N 3.41Å; R954-S958 PolarHBondContact O-N 3.04Å; R954-S958 PolarHBondContact O-OG 2.87Å; R954-F972 VanDerWaalsContact CA-CE1 3.49Å; R954-F972 HydrophobicContact CB-CD1 3.9Å; R954-F972 HydrophobicContact CB-CE1 3.79Å; R954-F972 HydrophobicContact CB-CG 4.48Å; R954-F972 HydrophobicContact CB-CZ 4.26Å; R954-F972 HydrophobicContact CG-CE1 4.24Å; R954-F972 HydrophobicContact CG-CE2 4.49Å; R954-F972 HydrophobicContact CG-CZ 4.19Å
955	K	90.4	Very high	88.7	Confident	153 Å²	153	53 Å²	53	67%	0.665	26%	0.264	S	S	*	.	H	α-helix	trans	-63.6	-52.9	178	-58	171.8	-172.2	168.3	0	110.9	N953 F957 S958 D959	N953-K955 PolarHBondContact O-N 2.97Å; K955-F957 PolarHBondContact O-N 3.21Å; K955-F957 VanDerWaalsContact O-N 3.12Å; K955-S958 PolarHBondContact O-N 2.86Å; K955-S958 VanDerWaalsContact O-N 3.07Å; K955-S958 PolarHBondContact O-OG 2.97Å; K955-D959 VanDerWaalsContact O-CG 3.32Å; K955-D959 PolarHBondContact O-N 2.93Å
956	D	88.3	Confident	88.4	Confident	75 Å²	75	55.7 Å²	55.7	40%	0.401	27%	0.272	S	S	.	.	H	α-helix	trans	-61.7	-25.2	179.4	-41.4	-55.7	0	0	0	112.6	I932 N953 L960	I932-D956 HydrophobicContact CB-CB 4.07Å; I932-D956 HydrophobicContact CG1-CB 4.04Å; I932-D956 HydrophobicContact CG2-CB 4.41Å; N953-D956 WeakPolarHBondContact CA-OD2 3.45Å; N953-D956 PolarHBondContact ND2-OD2 3.16Å; N953-D956 PolarHBondContact O-N 2.98Å; D956-L960 WeakPolarHBondContact O-CG 3.48Å
957	F	87.9	Confident	87.7	Confident	21 Å²	21	59.4 Å²	59.4	9%	0.092	31%	0.31	C	S	.	.	H	α-helix	trans	-81.7	-38.1	174.4	-172.4	-92.9	0	0	0	113.2	I932 T936 I949 N953 R954 K955 D959 L960 R965 L968 V970 F972	I932-F957 HydrophobicContact CG2-CB 4.39Å; I932-F957 HydrophobicContact CG2-CD2 4.44Å; T936-F957 HydrophobicContact CG2-CD2 3.9Å; T936-F957 HydrophobicContact CG2-CE2 3.78Å; I949-F957 HydrophobicContact CD1-CD2 3.87Å; I949-F957 HydrophobicContact CD1-CE2 4.37Å; I949-F957 HydrophobicContact CD1-CG 4.47Å; N953-F957 PolarHBondContact O-N 2.95Å; N953-F957 VanDerWaalsContact O-N 3.16Å; R954-F957 PolarHBondContact O-N 3.41Å; K955-F957 PolarHBondContact O-N 3.21Å; K955-F957 VanDerWaalsContact O-N 3.12Å; F957-D959 VanDerWaalsContact C-N 3.25Å; F957-D959 PolarHBondContact O-N 3.2Å; F957-L960 HydrophobicContact CD2-CD1 3.71Å; F957-L960 HydrophobicContact CE2-CD1 4.02Å; F957-L960 HydrophobicContact CG-CD1 4.37Å; F957-L960 WeakPolarHBondContact O-CB 3.22Å; F957-L960 WeakPolarHBondContact O-CG 3.45Å; F957-L960 PolarHBondContact O-N 3.2Å; F957-R965 HydrophobicContact CE1-CB 4.35Å; F957-R965 VanDerWaalsContact CE1-CD 3.48Å; F957-R965 HydrophobicContact CE1-CG 3.78Å; F957-R965 HydrophobicContact CE2-CG 4.31Å; F957-R965 HydrophobicContact CZ-CB 4.07Å; F957-R965 HydrophobicContact CZ-CG 3.63Å; F957-R965 WeakPolarHBondContact O-CD 3.31Å; F957-L968 HydrophobicContact CE2-CD2 4.44Å; F957-V970 HydrophobicContact CE1-CG2 4.2Å; F957-V970 HydrophobicContact CE2-CG2 3.86Å; F957-V970 HydrophobicContact CZ-CB 4.31Å; F957-V970 HydrophobicContact CZ-CG1 4.49Å; F957-V970 HydrophobicContact CZ-CG2 3.55Å; F957-F972 HydrophobicContact CB-CE1 4.24Å; F957-F972 HydrophobicContact CB-CZ 4.14Å; F957-F972 AromaticContact CD1-CZ 3.85Å; F957-F972 HydrophobicContact CD1-CZ 3.85Å; F957-F972 HydrophobicContact CG-CZ 4.09Å
958	S	87.1	Confident	87.5	Confident	66 Å²	66	60.4 Å²	60.4	46%	0.462	32%	0.315	S	S	.	.	H	α-helix	trans	-64.4	-32.7	176.7	48.4	0	0	0	0	112.6	R954 K955 L960	R954-S958 PolarHBondContact O-N 3.04Å; R954-S958 PolarHBondContact O-OG 2.87Å; K955-S958 PolarHBondContact O-N 2.86Å; K955-S958 VanDerWaalsContact O-N 3.07Å; K955-S958 PolarHBondContact O-OG 2.97Å; S958-L960 PolarHBondContact O-N 2.84Å
959	D	84	Confident	87.3	Confident	132 Å²	132	64.3 Å²	64.3	71%	0.706	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-4.6	-178.9	-61	-3.1	0	0	0	113	K955 F957	K955-D959 VanDerWaalsContact O-CG 3.32Å; K955-D959 PolarHBondContact O-N 2.93Å; F957-D959 VanDerWaalsContact C-N 3.25Å; F957-D959 PolarHBondContact O-N 3.2Å
960	L	82.6	Confident	87.2	Confident	8 Å²	8	65.9 Å²	65.9	4%	0.042	34%	0.343	C	S	.	.	S	Bend	trans	-74	143.1	173.1	-57.1	-179.8	0	0	0	111	K933 T936 D956 F957 S958 R965	K933-L960 HydrophobicContact CB-CD2 3.69Å; K933-L960 HydrophobicContact CD-CD2 4.28Å; K933-L960 HydrophobicContact CG-CD2 3.78Å; T936-L960 HydrophobicContact CG2-CD1 3.96Å; D956-L960 WeakPolarHBondContact O-CG 3.48Å; F957-L960 HydrophobicContact CD2-CD1 3.71Å; F957-L960 HydrophobicContact CE2-CD1 4.02Å; F957-L960 HydrophobicContact CG-CD1 4.37Å; F957-L960 WeakPolarHBondContact O-CB 3.22Å; F957-L960 WeakPolarHBondContact O-CG 3.45Å; F957-L960 PolarHBondContact O-N 3.2Å; S958-L960 PolarHBondContact O-N 2.84Å; L960-R965 HydrophobicContact CB-CG 4.13Å; L960-R965 PolarHBondContact O-NE 3.25Å; L960-R965 PolarHBondContact O-NH2 3.2Å
961	P	80.1	Confident	87.1	Confident	46 Å²	46	69.4 Å²	69.4	30%	0.299	36%	0.357	S	S	.	.			trans	-55.4	143.4	170.4	-26.8	34.5	0	0	0	112.9	Y963 I964 R965	P961-Y963 HydrophobicContact CB-CD1 3.49Å; P961-Y963 VanDerWaalsContact CB-CD1 3.49Å; P961-Y963 HydrophobicContact CB-CE1 3.33Å; P961-Y963 HydrophobicContact CB-CG 4.35Å; P961-Y963 HydrophobicContact CG-CD1 4.49Å; P961-Y963 HydrophobicContact CG-CE1 3.86Å; P961-Y963 PolarHBondContact O-N 3.35Å; P961-I964 HydrophobicContact CB-CG1 4.47Å; P961-I964 HydrophobicContact CG-CD1 4.4Å; P961-I964 WeakPolarHBondContact O-CB 3.43Å; P961-I964 PolarHBondContact O-N 2.94Å; P961-R965 PolarHBondContact O-N 2.82Å
962	D	81.9	Confident	87.1	Confident	97 Å²	97	70.7 Å²	70.7	52%	0.519	36%	0.358	S	S	.	.	H	α-helix	trans	-54.5	-40.2	-178.3	-57.4	-79	0	0	0	112.2	I964 R965 E966	D962-I964 PolarHBondContact O-N 3.47Å; D962-R965 VanDerWaalsContact CG-NH2 3.3Å; D962-R965 PolarHBondContact O-N 3.24Å; D962-R965 IonicContact OD1-CZ 2.8Å; D962-R965 IonicContact OD1-NH1 3.3Å; D962-R965 PolarHBondContact OD1-NH1 2.81Å; D962-R965 IonicContact OD1-NH2 2.69Å; D962-R965 PolarHBondContact OD1-NH2 3.05Å; D962-R965 IonicContact OD2-NH2 3.16Å; D962-E966 WeakPolarHBondContact O-CG 3.34Å; D962-E966 PolarHBondContact O-N 2.84Å
963	Y	79.8	Confident	87.3	Confident	63 Å²	63	64.7 Å²	64.7	25%	0.247	33%	0.33	C	S	.	.	H	α-helix	trans	-59.9	-18	178.5	80	-104.6	0	0	0	113.9	V700 E703 R940 P961	V700-Y963 HydrophobicContact CB-CE2 4.06Å; V700-Y963 HydrophobicContact CG1-CE2 4.09Å; V700-Y963 HydrophobicContact CG2-CE2 3.97Å; E703-Y963 PolarHBondContact OE1-OH 2.92Å; R940-Y963 PolarHBondContact NH1-O 2.66Å; R940-Y963 PolarHBondContact NH2-O 2.85Å; P961-Y963 HydrophobicContact CB-CD1 3.49Å; P961-Y963 VanDerWaalsContact CB-CD1 3.49Å; P961-Y963 HydrophobicContact CB-CE1 3.33Å; P961-Y963 HydrophobicContact CB-CG 4.35Å; P961-Y963 HydrophobicContact CG-CD1 4.49Å; P961-Y963 HydrophobicContact CG-CE1 3.86Å; P961-Y963 PolarHBondContact O-N 3.35Å
964	I	80.6	Confident	87.4	Confident	4 Å²	4	68.8 Å²	68.8	2%	0.021	35%	0.352	C	S	.	.	H	α-helix	trans	-87.9	-38	172.1	-55.6	-174.4	0	0	0	111	V700 I937 P961 D962	V700-I964 HydrophobicContact CG2-CD1 3.87Å; V700-I964 HydrophobicContact CG2-CG1 4.36Å; I937-I964 HydrophobicContact CD1-CD1 4.31Å; I937-I964 HydrophobicContact CG1-CD1 4.22Å; I937-I964 HydrophobicContact CG1-CG2 4.37Å; P961-I964 HydrophobicContact CB-CG1 4.47Å; P961-I964 HydrophobicContact CG-CD1 4.4Å; P961-I964 WeakPolarHBondContact O-CB 3.43Å; P961-I964 PolarHBondContact O-N 2.94Å; D962-I964 PolarHBondContact O-N 3.47Å
965	R	82.6	Confident	87.5	Confident	68 Å²	68	64.4 Å²	64.4	26%	0.257	34%	0.337	S	S	.	.	H	α-helix	trans	-73.1	-29.7	-179	-61.7	-168.1	-102.6	96.1	3.9	112.6	F957 L960 P961 D962 G967 L968	F957-R965 HydrophobicContact CE1-CB 4.35Å; F957-R965 VanDerWaalsContact CE1-CD 3.48Å; F957-R965 HydrophobicContact CE1-CG 3.78Å; F957-R965 HydrophobicContact CE2-CG 4.31Å; F957-R965 HydrophobicContact CZ-CB 4.07Å; F957-R965 HydrophobicContact CZ-CG 3.63Å; F957-R965 WeakPolarHBondContact O-CD 3.31Å; L960-R965 HydrophobicContact CB-CG 4.13Å; L960-R965 PolarHBondContact O-NE 3.25Å; L960-R965 PolarHBondContact O-NH2 3.2Å; P961-R965 PolarHBondContact O-N 2.82Å; D962-R965 VanDerWaalsContact CG-NH2 3.3Å; D962-R965 PolarHBondContact O-N 3.24Å; D962-R965 IonicContact OD1-CZ 2.8Å; D962-R965 IonicContact OD1-NH1 3.3Å; D962-R965 PolarHBondContact OD1-NH1 2.81Å; D962-R965 IonicContact OD1-NH2 2.69Å; D962-R965 PolarHBondContact OD1-NH2 3.05Å; D962-R965 IonicContact OD2-NH2 3.16Å; R965-G967 PolarHBondContact O-N 3.42Å; R965-L968 PolarHBondContact O-N 2.83Å
966	E	81.9	Confident	87.8	Confident	123 Å²	123	57.1 Å²	57.1	58%	0.575	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	126.5	178.4	-79.7	171.9	-175	0	0	113.2	R940 D962	R940-E966 PolarHBondContact NE-O 2.92Å; R940-E966 PolarHBondContact NH2-O 3.42Å; D962-E966 WeakPolarHBondContact O-CG 3.34Å; D962-E966 PolarHBondContact O-N 2.84Å
967	G	79.6	Confident	88	Confident	77 Å²	77	56.2 Å²	56.2	79%	0.794	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.4	8.4	177.9	0	0	0	0	0	115.3	R965	R965-G967 PolarHBondContact O-N 3.42Å
968	L	87.8	Confident	88.3	Confident	22 Å²	22	58.8 Å²	58.8	12%	0.115	32%	0.318	C	S	.	.			trans	-116.6	117.1	177.9	-162.7	73.1	0	0	0	110.9	T936 V944 M947 F957 R965 V970	T936-L968 HydrophobicContact CG2-CD2 4.46Å; V944-L968 HydrophobicContact CG1-CD1 4.34Å; V944-L968 WeakPolarHBondContact O-CD1 3.43Å; M947-L968 HydrophobicContact CB-CD1 4.21Å; M947-L968 HydrophobicContact CB-CD2 3.92Å; M947-L968 HydrophobicContact CB-CG 4.1Å; M947-L968 HydrophobicContact SD-CD2 3.98Å; F957-L968 HydrophobicContact CE2-CD2 4.44Å; R965-L968 PolarHBondContact O-N 2.83Å; L968-V970 HydrophobicContact CB-CG2 4.34Å; L968-V970 HydrophobicContact CD2-CG2 3.79Å; L968-V970 HydrophobicContact CG-CG2 3.9Å
969	E	91.4	Very high	88.6	Confident	82 Å²	82	55.7 Å²	55.7	38%	0.383	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	121.7	168.7	179.6	179.2	-118.7	0	0	108.6	R911 T945 C946 M947 Y971	R911-E969 IonicContact CZ-OE2 2.83Å; R911-E969 VanDerWaalsContact CZ-OE2 3.3Å; R911-E969 IonicContact NH1-OE2 3.88Å; R911-E969 PolarHBondContact NH1-OE2 3.35Å; R911-E969 IonicContact NH2-OE2 2.88Å; R911-E969 PolarHBondContact NH2-OE2 3.06Å; T945-E969 WeakPolarHBondContact O-CB 3.36Å; T945-E969 PolarHBondContact O-N 2.96Å; C946-E969 CarbonylContact C-O 3.46Å; C946-E969 VanDerWaalsContact CA-O 3.3Å; C946-E969 WeakPolarHBondContact CA-O 3.48Å; C946-E969 HydrophobicContact CB-CB 4.37Å; M947-E969 PolarHBondContact N-O 3.44Å; E969-Y971 HydrophobicContact CG-CD2 4.33Å; E969-Y971 HydrophobicContact CG-CE2 3.66Å; E969-Y971 PolarHBondContact OE1-OH 2.83Å
970	V	93.1	Very high	89	Confident	33 Å²	33	51 Å²	51	20%	0.2	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	120.2	-174	-179.3	0	0	0	0	112.3	M947 I949 F957 L968 F972	M947-V970 HydrophobicContact CB-CG2 4.44Å; M947-V970 WeakPolarHBondContact O-CA 3.46Å; I949-V970 HydrophobicContact CD1-CG1 3.57Å; I949-V970 HydrophobicContact CG1-CG1 4.05Å; F957-V970 HydrophobicContact CE1-CG2 4.2Å; F957-V970 HydrophobicContact CE2-CG2 3.86Å; F957-V970 HydrophobicContact CZ-CB 4.31Å; F957-V970 HydrophobicContact CZ-CG1 4.49Å; F957-V970 HydrophobicContact CZ-CG2 3.55Å; L968-V970 HydrophobicContact CB-CG2 4.34Å; L968-V970 HydrophobicContact CD2-CG2 3.79Å; L968-V970 HydrophobicContact CG-CG2 3.9Å; V970-F972 HydrophobicContact CG1-CD2 4.41Å; V970-F972 HydrophobicContact CG1-CE1 4.12Å; V970-F972 HydrophobicContact CG1-CE2 3.84Å; V970-F972 HydrophobicContact CG1-CZ 3.68Å
971	Y	94.8	Very high	89.5	Confident	76 Å²	76	54.3 Å²	54.3	30%	0.298	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	124.8	174.3	-66.5	-85.8	0	0	0	110.8	M947 I949 E969 I982	M947-Y971 PolarHBondContact O-N 3.11Å; I949-Y971 PolarHBondContact N-O 2.83Å; E969-Y971 HydrophobicContact CG-CD2 4.33Å; E969-Y971 HydrophobicContact CG-CE2 3.66Å; E969-Y971 PolarHBondContact OE1-OH 2.83Å; Y971-I982 HydrophobicContact CD1-CD1 3.71Å; Y971-I982 HydrophobicContact CD1-CG1 4.34Å; Y971-I982 HydrophobicContact CD2-CG2 3.77Å; Y971-I982 HydrophobicContact CE1-CD1 4.3Å; Y971-I982 HydrophobicContact CE1-CG1 4.46Å; Y971-I982 HydrophobicContact CE2-CG2 3.76Å; Y971-I982 HydrophobicContact CG-CD1 3.81Å; Y971-I982 HydrophobicContact CG-CG2 4.16Å
972	F	95.9	Very high	90	Very high	51 Å²	51	53.5 Å²	53.5	22%	0.224	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	126.2	173.7	-66.4	-74.2	0	0	0	109.3	I949 A951 R954 F957 V970	I949-F972 HydrophobicContact CB-CD1 4.41Å; I949-F972 HydrophobicContact CB-CE1 4.42Å; I949-F972 HydrophobicContact CG2-CE1 4.48Å; I949-F972 WeakPolarHBondContact O-CA 3.43Å; A951-F972 HydrophobicContact CB-CB 4.31Å; R954-F972 VanDerWaalsContact CA-CE1 3.49Å; R954-F972 HydrophobicContact CB-CD1 3.9Å; R954-F972 HydrophobicContact CB-CE1 3.79Å; R954-F972 HydrophobicContact CB-CG 4.48Å; R954-F972 HydrophobicContact CB-CZ 4.26Å; R954-F972 HydrophobicContact CG-CE1 4.24Å; R954-F972 HydrophobicContact CG-CE2 4.49Å; R954-F972 HydrophobicContact CG-CZ 4.19Å; F957-F972 HydrophobicContact CB-CE1 4.24Å; F957-F972 HydrophobicContact CB-CZ 4.14Å; F957-F972 AromaticContact CD1-CZ 3.85Å; F957-F972 HydrophobicContact CD1-CZ 3.85Å; F957-F972 HydrophobicContact CG-CZ 4.09Å; V970-F972 HydrophobicContact CG1-CD2 4.41Å; V970-F972 HydrophobicContact CG1-CE1 4.12Å; V970-F972 HydrophobicContact CG1-CE2 3.84Å; V970-F972 HydrophobicContact CG1-CZ 3.68Å
973	V	96.2	Very high	90.5	Very high	3 Å²	3	48.9 Å²	48.9	2%	0.018	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	138.5	-172.3	-70.4	0	0	0	0	112.9	I926 I948 I949 P950 A951 Q978 I979 I982	I926-V973 HydrophobicContact CD1-CB 3.82Å; I926-V973 HydrophobicContact CD1-CG2 3.46Å; I926-V973 VanDerWaalsContact CD1-CG2 3.46Å; I948-V973 HydrophobicContact CG2-CG1 4.22Å; I948-V973 HydrophobicContact CG2-CG2 3.52Å; I949-V973 WeakPolarHBondContact O-CG2 3.26Å; I949-V973 PolarHBondContact O-N 2.63Å; P950-V973 CarbonylContact C-O 3.59Å; P950-V973 WeakPolarHBondContact CA-O 3.34Å; A951-V973 PolarHBondContact N-O 2.97Å; V973-Q978 VanDerWaalsContact CA-OE1 3.28Å; V973-Q978 HydrophobicContact CB-CB 4.34Å; V973-Q978 HydrophobicContact CG1-CB 3.78Å; V973-I979 HydrophobicContact CB-CG1 4.39Å; V973-I979 HydrophobicContact CG1-CG1 4.3Å; V973-I979 HydrophobicContact CG2-CD1 4.17Å; V973-I979 HydrophobicContact CG2-CG1 4Å; V973-I982 HydrophobicContact CG1-CD1 4.35Å
974	D	96.1	Very high	90.9	Very high	93 Å²	93	46.9 Å²	46.9	50%	0.497	25%	0.251	S	S	.	.	S	Bend	trans	-99.5	-27.3	176.3	-60.3	-72.8	0	0	0	112.3	I926 A951	I926-D974 PolarHBondContact N-O 3.07Å; A951-D974 VanDerWaalsContact CB-OD1 3.29Å; A951-D974 WeakPolarHBondContact CB-OD1 3.29Å
975	H	96.1	Very high	90.1	Very high	59 Å²	59	54.1 Å²	54.1	27%	0.273	30%	0.299	S	S	.	.	B	Isolated β-bridge	trans	-146.5	139.9	-169	-168.9	-101.3	0	0	0	111.8	T923 G924 K925 S977 Q978	T923-H975 PolarHBondContact O-NE2 2.75Å; G924-H975 PolarHBondContact O-CD2 3.26Å; K925-H975 PolarHBondContact N-CD2 3.11Å; H975-S977 PolarHBondContact ND1-N 3.16Å; H975-S977 PolarHBondContact ND1-OG 2.88Å; H975-S977 PolarHBondContact O-N 3.37Å; H975-Q978 VanDerWaalsContact O-CB 3.32Å; H975-Q978 WeakPolarHBondContact O-CB 3.32Å; H975-Q978 PolarHBondContact O-N 3.03Å
976	Y	95.3	Very high	90.5	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-59.7	-25.8	-172.4	-173.1	-89.1	0	0	0	114.1	F857 F861 C895 V898 T899 L902 G924 Q978 I979 Y980	F857-Y976 AromaticContact CE1-CD1 3.62Å; F857-Y976 HydrophobicContact CE1-CD1 3.62Å; F857-Y976 HydrophobicContact CE1-CE1 4.5Å; F857-Y976 AromaticContact CE1-CG 3.66Å; F857-Y976 HydrophobicContact CE1-CG 3.66Å; F857-Y976 HydrophobicContact CZ-CD1 4.22Å; F857-Y976 HydrophobicContact CZ-CG 4.33Å; F861-Y976 HydrophobicContact CD1-CE1 4.35Å; F861-Y976 HydrophobicContact CD2-CD1 4.26Å; F861-Y976 HydrophobicContact CE1-CD1 4.39Å; F861-Y976 HydrophobicContact CE1-CE1 4.16Å; F861-Y976 HydrophobicContact CE2-CD1 4.09Å; F861-Y976 HydrophobicContact CG-CD1 4.47Å; F861-Y976 HydrophobicContact CZ-CD1 4.15Å; F861-Y976 HydrophobicContact CZ-CE1 4.31Å; C895-Y976 HydrophobicContact CB-CD2 4.46Å; V898-Y976 HydrophobicContact CB-CD2 4.25Å; V898-Y976 HydrophobicContact CB-CE2 3.72Å; V898-Y976 HydrophobicContact CG1-CD1 4.05Å; V898-Y976 HydrophobicContact CG1-CD2 4.11Å; V898-Y976 HydrophobicContact CG1-CE1 3.58Å; V898-Y976 HydrophobicContact CG1-CE2 3.65Å; V898-Y976 HydrophobicContact CG1-CG 4.31Å; T899-Y976 VanDerWaalsContact CA-OH 3.26Å; T899-Y976 WeakPolarHBondContact CA-OH 3.3Å; T899-Y976 PolarHBondContact N-OH 3.4Å; T899-Y976 PolarHBondContact OG1-OH 3.11Å; T899-Y976 VanDerWaalsContact OG1-OH 3.1Å; L902-Y976 HydrophobicContact CD1-CE1 3.67Å; G924-Y976 PolarHBondContact O-N 2.84Å; Y976-Q978 PolarHBondContact O-N 2.97Å; Y976-Q978 VanDerWaalsContact O-N 3.1Å; Y976-I979 HydrophobicContact CD2-CB 4.2Å; Y976-I979 HydrophobicContact CD2-CD1 4.01Å; Y976-I979 HydrophobicContact CD2-CG1 4.45Å; Y976-I979 HydrophobicContact CE2-CB 4.17Å; Y976-I979 HydrophobicContact CE2-CD1 4.3Å; Y976-I979 HydrophobicContact CE2-CG2 4.04Å; Y976-I979 WeakPolarHBondContact O-CB 3.42Å; Y976-I979 PolarHBondContact O-N 2.78Å; Y976-Y980 PolarHBondContact O-N 3.49Å
977	S	92.7	Very high	91	Very high	57 Å²	57	49.8 Å²	49.8	40%	0.399	29%	0.287	S	S	.	.	H	α-helix	trans	-60	-19.3	173	63.5	0	0	0	0	114.2	H975 P981	H975-S977 PolarHBondContact ND1-N 3.16Å; H975-S977 PolarHBondContact ND1-OG 2.88Å; H975-S977 PolarHBondContact O-N 3.37Å; S977-P981 VanDerWaalsContact O-CD 3.24Å; S977-P981 WeakPolarHBondContact O-CD 3.17Å
978	Q	94.3	Very high	91.6	Very high	75 Å²	75	48.3 Å²	48.3	35%	0.35	26%	0.259	S	S	.	.	H	α-helix	trans	-81.5	-33.6	172.1	-61.5	165.4	-26.5	0	0	111.9	V973 H975 Y976 P981 I982	V973-Q978 VanDerWaalsContact CA-OE1 3.28Å; V973-Q978 HydrophobicContact CB-CB 4.34Å; V973-Q978 HydrophobicContact CG1-CB 3.78Å; H975-Q978 VanDerWaalsContact O-CB 3.32Å; H975-Q978 WeakPolarHBondContact O-CB 3.32Å; H975-Q978 PolarHBondContact O-N 3.03Å; Y976-Q978 PolarHBondContact O-N 2.97Å; Y976-Q978 VanDerWaalsContact O-N 3.1Å; Q978-P981 WeakPolarHBondContact O-CD 3.4Å; Q978-I982 WeakPolarHBondContact O-CD1 3.03Å; Q978-I982 WeakPolarHBondContact O-CG1 3.26Å
979	I	94.4	Very high	91.8	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-65.2	-47.1	177.3	-63.4	-169.4	0	0	0	110.8	C895 M916 I926 I948 V973 Y976 I982 V983	C895-I979 HydrophobicContact CB-CD1 3.82Å; M916-I979 HydrophobicContact SD-CG2 4.17Å; I926-I979 HydrophobicContact CD1-CD1 3.57Å; I926-I979 HydrophobicContact CD1-CG1 3.88Å; I948-I979 HydrophobicContact CD1-CG2 4.18Å; I948-I979 HydrophobicContact CG2-CD1 4.02Å; I948-I979 HydrophobicContact CG2-CG1 3.98Å; V973-I979 HydrophobicContact CB-CG1 4.39Å; V973-I979 HydrophobicContact CG1-CG1 4.3Å; V973-I979 HydrophobicContact CG2-CD1 4.17Å; V973-I979 HydrophobicContact CG2-CG1 4Å; Y976-I979 HydrophobicContact CD2-CB 4.2Å; Y976-I979 HydrophobicContact CD2-CD1 4.01Å; Y976-I979 HydrophobicContact CD2-CG1 4.45Å; Y976-I979 HydrophobicContact CE2-CB 4.17Å; Y976-I979 HydrophobicContact CE2-CD1 4.3Å; Y976-I979 HydrophobicContact CE2-CG2 4.04Å; Y976-I979 WeakPolarHBondContact O-CB 3.42Å; Y976-I979 PolarHBondContact O-N 2.78Å; I979-I982 WeakPolarHBondContact O-CB 3.45Å; I979-I982 PolarHBondContact O-N 3.01Å; I979-V983 HydrophobicContact CG2-CG2 3.64Å; I979-V983 WeakPolarHBondContact O-CG2 3.49Å; I979-V983 PolarHBondContact O-N 2.87Å; I979-V983 VanDerWaalsContact O-N 3.12Å
980	Y	92.6	Very high	91.9	Very high	33 Å²	33	47.8 Å²	47.8	13%	0.129	26%	0.26	C	S	.	.	H	α-helix	trans	-48.1	-54.1	-172.6	-172.8	-92.2	0	0	0	114.4	F861 L902 Y976 I982 V983 F984	F861-Y980 AromaticContact CE1-CD2 3.61Å; F861-Y980 HydrophobicContact CE1-CD2 3.61Å; F861-Y980 HydrophobicContact CE1-CE2 4.12Å; F861-Y980 AromaticContact CE1-CG 3.89Å; F861-Y980 HydrophobicContact CE1-CG 3.89Å; F861-Y980 HydrophobicContact CZ-CD2 4.24Å; F861-Y980 HydrophobicContact CZ-CG 4.06Å; L902-Y980 HydrophobicContact CD1-CD2 4.2Å; L902-Y980 HydrophobicContact CD1-CE2 4.37Å; Y976-Y980 PolarHBondContact O-N 3.49Å; Y980-I982 VanDerWaalsContact C-N 3.33Å; Y980-I982 PolarHBondContact O-N 3.19Å; Y980-V983 PolarHBondContact O-N 3.13Å; Y980-F984 AromaticContact CD2-CD2 3.61Å; Y980-F984 HydrophobicContact CD2-CD2 3.61Å; Y980-F984 AromaticContact CD2-CE2 3.9Å; Y980-F984 HydrophobicContact CD2-CE2 3.9Å; Y980-F984 AromaticContact CE2-CD2 3.61Å; Y980-F984 HydrophobicContact CE2-CD2 3.61Å; Y980-F984 AromaticContact CE2-CE2 3.91Å; Y980-F984 HydrophobicContact CE2-CE2 3.91Å; Y980-F984 HydrophobicContact CE2-CG 4.45Å; Y980-F984 HydrophobicContact CG-CD2 4.16Å; Y980-F984 WeakPolarHBondContact O-CD2 3.35Å; Y980-F984 PolarHBondContact O-N 3.01Å
981	P	91.6	Very high	91.8	Very high	78 Å²	78	48.8 Å²	48.8	51%	0.506	26%	0.264	S	S	.	.	H	α-helix	trans	-72.5	-16.7	178.7	30.6	-37.9	0	0	0	115.1	S977 Q978	S977-P981 VanDerWaalsContact O-CD 3.24Å; S977-P981 WeakPolarHBondContact O-CD 3.17Å; Q978-P981 WeakPolarHBondContact O-CD 3.4Å
982	I	91.6	Very high	91.6	Very high	29 Å²	29	46.9 Å²	46.9	15%	0.149	26%	0.261	C	S	.	.	H	α-helix	trans	-78	-31.1	175.3	-61.2	166.9	0	0	0	110.4	R911 I948 Y971 V973 Q978 I979 Y980	R911-I982 WeakPolarHBondContact CD-O 3.37Å; I948-I982 HydrophobicContact CD1-CB 4.37Å; I948-I982 HydrophobicContact CD1-CG2 3.91Å; I948-I982 HydrophobicContact CG1-CG2 4.44Å; Y971-I982 HydrophobicContact CD1-CD1 3.71Å; Y971-I982 HydrophobicContact CD1-CG1 4.34Å; Y971-I982 HydrophobicContact CD2-CG2 3.77Å; Y971-I982 HydrophobicContact CE1-CD1 4.3Å; Y971-I982 HydrophobicContact CE1-CG1 4.46Å; Y971-I982 HydrophobicContact CE2-CG2 3.76Å; Y971-I982 HydrophobicContact CG-CD1 3.81Å; Y971-I982 HydrophobicContact CG-CG2 4.16Å; V973-I982 HydrophobicContact CG1-CD1 4.35Å; Q978-I982 WeakPolarHBondContact O-CD1 3.03Å; Q978-I982 WeakPolarHBondContact O-CG1 3.26Å; I979-I982 WeakPolarHBondContact O-CB 3.45Å; I979-I982 PolarHBondContact O-N 3.01Å; Y980-I982 VanDerWaalsContact C-N 3.33Å; Y980-I982 PolarHBondContact O-N 3.19Å
983	V	91.7	Very high	91.2	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-98.5	-30	-174.3	-175.7	0	0	0	0	112.7	T899 V910 R911 V914 M916 I948 I979 Y980 P985	T899-V983 HydrophobicContact CG2-CG1 3.7Å; V910-V983 HydrophobicContact CB-CG1 3.61Å; V910-V983 HydrophobicContact CG1-CG1 3.54Å; R911-V983 WeakPolarHBondContact CB-O 3.32Å; R911-V983 PolarHBondContact N-O 2.74Å; V914-V983 HydrophobicContact CG1-CG2 4.47Å; M916-V983 HydrophobicContact CE-CG1 4.23Å; M916-V983 HydrophobicContact CE-CG2 3.73Å; I948-V983 HydrophobicContact CD1-CG2 3.56Å; I979-V983 HydrophobicContact CG2-CG2 3.64Å; I979-V983 WeakPolarHBondContact O-CG2 3.49Å; I979-V983 PolarHBondContact O-N 2.87Å; I979-V983 VanDerWaalsContact O-N 3.12Å; Y980-V983 PolarHBondContact O-N 3.13Å; V983-P985 VanDerWaalsContact C-CD 3.41Å; V983-P985 VanDerWaalsContact O-CD 3.29Å; V983-P985 WeakPolarHBondContact O-CD 3.33Å
984	F	88.6	Confident	90.8	Very high	20 Å²	20	50.2 Å²	50.2	9%	0.088	29%	0.285	C	S	.	.			trans	-116.9	76.2	173.6	-55.4	-75.5	0	0	0	110.2	T899 R908 V910 Y980	T899-F984 HydrophobicContact CG2-CE2 4.21Å; T899-F984 HydrophobicContact CG2-CZ 4.16Å; R908-F984 HydrophobicContact CB-CD1 4.22Å; R908-F984 HydrophobicContact CB-CE1 4.4Å; V910-F984 HydrophobicContact CG1-CE1 3.81Å; V910-F984 HydrophobicContact CG1-CZ 3.96Å; Y980-F984 AromaticContact CD2-CD2 3.61Å; Y980-F984 HydrophobicContact CD2-CD2 3.61Å; Y980-F984 AromaticContact CD2-CE2 3.9Å; Y980-F984 HydrophobicContact CD2-CE2 3.9Å; Y980-F984 AromaticContact CE2-CD2 3.61Å; Y980-F984 HydrophobicContact CE2-CD2 3.61Å; Y980-F984 AromaticContact CE2-CE2 3.91Å; Y980-F984 HydrophobicContact CE2-CE2 3.91Å; Y980-F984 HydrophobicContact CE2-CG 4.45Å; Y980-F984 HydrophobicContact CG-CD2 4.16Å; Y980-F984 WeakPolarHBondContact O-CD2 3.35Å; Y980-F984 PolarHBondContact O-N 3.01Å
985	P	64.7	Low	90.3	Very high	157 Å²	157	46.3 Å²	46.3	100%	1.019	27%	0.265	S	S	*	.			trans	-71.6	0	174.1	33.1	-36.9	0	0	0	113.1	V983	V983-P985 VanDerWaalsContact C-CD 3.41Å; V983-P985 VanDerWaalsContact O-CD 3.29Å; V983-P985 WeakPolarHBondContact O-CD 3.33Å

Retrieved 985 of 985 residues in 324.2 ms (Link to these results)

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