A0A077Z191_TRITR Loading...

VWD and NIDO and AMOP domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z191, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,271 aa.

						>A0A077Z191_TRITR|A0A077Z191
MTLILFMSCVLACVHTESAQQSLADFPFLPSQLLTGSLAFNGTFVPNFEAESTLTESLVQPEHDLIDRRTAEGWWNLYPFGEKFKDIDIADRPWKDVQIDLGFYFPFYGFRFNYTFIYPEGFVAFSYPDYVQPPYTFPNPLWPDQRDPSFIAAFLCDQSFVHVGETRLSHVWYRIITRPQYRWKQPGLDLHDHETALQYDGRVEDNKLLDEITRDVRENMVGTGGYTADYALVVTWERMGYGGQPKFLQLDEFDQIKKWQNTYQMVLTTDEHRSYVLLNYANINYTSSTSAGALGGRGGRQSAIIGFNGGNGTGFYEFPYSAKGDSYKLADFGSTQVRGRWIAKFMEDVQMIRMVKSPDTSAHNLNILGALLATNPWNSMIGGNSINVSGPCFRPQDHITMEIDEEIFDCSYINMVKARCIVPLNMVFKTGPVTFQISQDGRSYNWYSTLYIFPPALSRTMVRLLSYADRTDPSAPRHQWYQTEADNLTILWSAANISSKADAKIDLVLWGYREDMIEREYVEVGAIARQIPNSGRYTFNQANLDSTLIVGDLWRRFWGGSIQVRVSGYDWSDYGHYVMWSEPVPFGWYFRRKWEQAFGSDWATQLCIEWYNYDGLRDNFLRKTYAEIPCPCTLDQASVDFGRFTPLPTCEMMGDSSCIYTKGAQHCVVSTRSTLESGTQMCCYDFNGWLMFSQDYEFNPDYLNYFSAGVPYRANPWGGYVYKKPLYVPTWSNFYNDLLPFDLCCRWAGHCEFYYWRRPTSGCQNYEPAVTEPYYDCLLFKCENVRNAIVKNLGTAYGHGHFITFDGTKYTFNGRGHFVLVLLNTPQYKFTVQVRTEQPPRTLCNAIFVVTDNTDVAATVITGVSVRDQDSSIVQVFSRKQFRRWRYRTDVLVDGEKYFFDMDRRRFFKRVLVYVPHLVMNQSEVYIQFNSGTGVKVVERRGILQVTVALPPSYRTDKVKLRINQIFLPINAVKLFADMSVSPEETKCKGKYSTMGLLGTYNGDSRDDFTAPDCSLVANSMTRSEEYSRTIHNLFGSKWRTEEVRTTNLFSQFPQPLYYPSLFYSEAVFNPVLDPWKFTNFTSIERLIFTREHEVQVACQGVYSCTFDYLVSGRREFGVDTLEAEKKFELDKVKGEQKTISCGPLEKNYGVIKYPLGNNYLDGVAVTLNIIFTVQKDDIVETELGQLDGGYGADVCALLCYVKLNKVIYFLARTEEDALKWLTGIVVSTIIVALIVTTFLCCNRIKDRRLLERSRMKGAAQGTLRNSFKLA
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.1	Very low	31.3	Very low	206 Å²	206	145.5 Å²	145.5	100%	1.015	79%	0.788	S	S	*	*				0	-38.8	0	-90.8	-77.1	172.4	0	0	112.1
2	T	36.2	Very low	30.9	Very low	125 Å²	125	140.8 Å²	140.8	77%	0.767	78%	0.783	S	S	*	*	G	3₁₀ helix	trans	-76.6	-13.5	173.9	22.5	0	0	0	0	115.7	I4	T2-I4 VanDerWaalsContact C-N 3.31Å; T2-I4 PolarHBondContact O-N 3.47Å
3	L	32.2	Very low	30.4	Very low	157 Å²	157	139.9 Å²	139.9	82%	0.822	79%	0.79	S	S	*	*	G	3₁₀ helix	trans	-78.8	-7.4	175.4	-99.9	136.2	0	0	0	114.6
4	I	35	Very low	30.1	Very low	133 Å²	133	139.2 Å²	139.2	68%	0.682	79%	0.79	S	S	*	*	G	3₁₀ helix	trans	-99.2	-9.6	-177.6	-63.1	175	0	0	0	112.1	T2	T2-I4 VanDerWaalsContact C-N 3.31Å; T2-I4 PolarHBondContact O-N 3.47Å
5	L	32.4	Very low	29.8	Very low	142 Å²	142	141.6 Å²	141.6	74%	0.743	79%	0.791	S	S	*	*	S	Bend	trans	-89.4	-3.9	174.3	-85.2	157.5	0	0	0	114.1
6	F	30.7	Very low	29.6	Very low	183 Å²	183	140.6 Å²	140.6	80%	0.803	79%	0.79	S	S	*	*	S	Bend	trans	-94.4	-4.2	177.1	-112.9	-85.9	0	0	0	114.4
7	M	30	Very low	29.4	Very low	152 Å²	152	142.7 Å²	142.7	75%	0.749	79%	0.792	S	S	*	*	S	Bend	trans	-106.4	4.7	-173.7	-89.9	-68.8	-175.7	0	0	115.4
8	S	29	Very low	29.1	Very low	92 Å²	92	141.3 Å²	141.3	64%	0.643	79%	0.794	S	S	*	*	S	Bend	trans	-114	4.1	-175.4	46.4	0	0	0	0	116.5
9	C	28.1	Very low	28.9	Very low	128 Å²	128	138.3 Å²	138.3	87%	0.865	79%	0.788	S	S	*	*	S	Bend	trans	-105.6	2.6	168.9	-85.6	0	0	0	0	114.7
10	V	31.7	Very low	28.7	Very low	116 Å²	116	140.7 Å²	140.7	70%	0.703	79%	0.793	S	S	*	*	S	Bend	trans	-98.7	3.2	-173.2	-174.8	0	0	0	0	113.4
11	L	26.3	Very low	28.5	Very low	167 Å²	167	142.8 Å²	142.8	87%	0.874	80%	0.796	S	S	*	*	S	Bend	trans	-128	63.4	-177.7	-78.1	158.8	0	0	0	112.2
12	A	26.2	Very low	28.1	Very low	89 Å²	89	137.8 Å²	137.8	74%	0.736	78%	0.781	S	S	*	*	S	Bend	trans	-154.2	135.3	155.7	0	0	0	0	0	109
13	C	25	Very low	27.5	Very low	129 Å²	129	140.4 Å²	140.4	87%	0.872	79%	0.79	S	S	*	*			trans	76.1	59.9	-178.4	-58.5	0	0	0	0	116.5	H15	C13-H15 PolarHBondContact O-N 3.37Å
14	V	25.6	Very low	27.2	Very low	130 Å²	130	136.6 Å²	136.6	79%	0.788	78%	0.781	S	S	*	*			trans	-79.8	94.8	140	177.4	0	0	0	0	106.7
15	H	26.3	Very low	26.7	Very low	175 Å²	175	137.5 Å²	137.5	81%	0.81	79%	0.787	S	S	*	*			trans	-123.5	105.3	157.2	-98.3	9.1	0	0	0	108.3	C13 E17	C13-H15 PolarHBondContact O-N 3.37Å; H15-E17 PolarHBondContact O-N 2.89Å
16	T	25.9	Very low	26.3	Very low	125 Å²	125	141 Å²	141	77%	0.767	80%	0.797	S	S	*	*			trans	-66.5	105.1	165.5	46.7	0	0	0	0	108.5
17	E	25.7	Very low	26.2	Very low	177 Å²	177	137.2 Å²	137.2	83%	0.827	79%	0.79	S	S	*	*			trans	-124.6	99.2	158.4	-81.9	-171.6	167.1	0	0	109.2	H15 A19	H15-E17 PolarHBondContact O-N 2.89Å; E17-A19 PolarHBondContact O-N 3.49Å; E17-A19 VanDerWaalsContact O-N 3.09Å
18	S	24.3	Very low	26	Very low	118 Å²	118	139.6 Å²	139.6	83%	0.825	80%	0.796	S	S	*	*			trans	-62.2	93.2	161.5	49.2	0	0	0	0	109.5	Q20	S18-Q20 PolarHBondContact O-N 3.36Å
19	A	24.7	Very low	25.8	Very low	83 Å²	83	143.3 Å²	143.3	69%	0.686	81%	0.808	S	S	*	*			trans	-89.6	82.5	167.2	0	0	0	0	0	109.5	E17 Q21	E17-A19 PolarHBondContact O-N 3.49Å; E17-A19 VanDerWaalsContact O-N 3.09Å; A19-Q21 PolarHBondContact O-N 3.19Å
20	Q	25.3	Very low	25.7	Very low	187 Å²	187	141.8 Å²	141.8	87%	0.874	80%	0.797	S	S	*	*			trans	-63.9	89.7	148.8	-83.6	173.1	-52.5	0	0	107.1	S18 S22	S18-Q20 PolarHBondContact O-N 3.36Å; Q20-S22 PolarHBondContact O-N 3.44Å
21	Q	25.1	Very low	25.4	Very low	185 Å²	185	142.2 Å²	142.2	86%	0.864	81%	0.805	S	S	*	*			trans	-87.1	93	163.3	-87.9	-178.7	-19	0	0	108.3	A19	A19-Q21 PolarHBondContact O-N 3.19Å
22	S	24.8	Very low	25.4	Very low	100 Å²	100	142.3 Å²	142.3	70%	0.699	80%	0.801	S	S	*	*			trans	-49	130.7	162	48.5	0	0	0	0	111.4	Q20 A24	Q20-S22 PolarHBondContact O-N 3.44Å; S22-A24 PolarHBondContact O-N 3.49Å
23	L	22.8	Very low	25.3	Very low	181 Å²	181	146 Å²	146	95%	0.948	81%	0.807	S	S	*	*	S	Bend	trans	-27	98.3	144.5	-73	137.5	0	0	0	112.9
24	A	25.6	Very low	25.3	Very low	77 Å²	77	148.2 Å²	148.2	64%	0.636	81%	0.809	S	S	*	*			trans	-164.3	145.1	154.1	0	0	0	0	0	108.8	S22	S22-A24 PolarHBondContact O-N 3.49Å
25	D	25.4	Very low	25.3	Very low	152 Å²	152	148 Å²	148	81%	0.813	81%	0.809	S	S	*	*			trans	84.9	64.9	164.6	-52.2	-21.3	0	0	0	118.1
26	F	24.7	Very low	25.1	Very low	216 Å²	216	143.1 Å²	143.1	95%	0.947	81%	0.806	S	S	*	*			trans	-89.5	124.1	138.9	-100.6	-84.5	0	0	0	109
27	P	28.8	Very low	25.1	Very low	102 Å²	102	142 Å²	142	66%	0.662	80%	0.803	S	S	*	*			trans	-87.5	142.9	-163.5	33.5	-32.8	0	0	0	112.9	L29	P27-L29 PolarHBondContact O-N 2.93Å
28	F	25.7	Very low	25	Very low	202 Å²	202	141.2 Å²	141.2	89%	0.886	80%	0.804	S	S	*	*			trans	21.7	94.5	153.4	-72.4	-88.1	0	0	0	117.2	P30	F28-P30 WeakPolarHBondContact O-CD 3.47Å
29	L	23.1	Very low	25	Very low	171 Å²	171	139.4 Å²	139.4	90%	0.895	80%	0.796	S	S	*	*			trans	-77.5	111.4	142.2	-96.4	155.7	0	0	0	106.9	P27 S31	P27-L29 PolarHBondContact O-N 2.93Å; L29-S31 PolarHBondContact O-N 3.35Å; L29-S31 VanDerWaalsContact O-N 3.17Å
30	P	27.1	Very low	24.9	Very low	96 Å²	96	145 Å²	145	62%	0.623	81%	0.805	S	S	*	*			trans	-68.4	115.3	-176.6	26.9	-32	0	0	0	109.6	F28 Q32	F28-P30 WeakPolarHBondContact O-CD 3.47Å; P30-Q32 PolarHBondContact O-N 2.9Å
31	S	25.7	Very low	24.8	Very low	124 Å²	124	143.3 Å²	143.3	87%	0.867	80%	0.802	S	S	*	*			trans	-71.1	64.8	162.2	57.7	0	0	0	0	109.6	L29	L29-S31 PolarHBondContact O-N 3.35Å; L29-S31 VanDerWaalsContact O-N 3.17Å
32	Q	25	Very low	24.8	Very low	169 Å²	169	137.4 Å²	137.4	79%	0.79	79%	0.791	S	S	*	*			trans	-139	68.8	166.5	-77	-158	-10	0	0	108.7	P30	P30-Q32 PolarHBondContact O-N 2.9Å
33	L	24.5	Very low	24.8	Very low	166 Å²	166	138.9 Å²	138.9	87%	0.869	80%	0.796	S	S	*	*	S	Bend	trans	-146.3	12.7	165.1	-107.6	154.4	0	0	0	113.5
34	L	25.5	Very low	24.9	Very low	176 Å²	176	139.3 Å²	139.3	92%	0.921	79%	0.791	S	S	*	*	S	Bend	trans	-111.9	6.8	176.5	-84	168.2	0	0	0	115.3
35	T	25	Very low	24.9	Very low	126 Å²	126	141.1 Å²	141.1	77%	0.773	79%	0.793	S	S	*	*			trans	-111.7	55.7	171.3	59	0	0	0	0	110.7	S37	T35-S37 PolarHBondContact O-N 2.95Å
36	G	22.8	Very low	25.1	Very low	73 Å²	73	138.1 Å²	138.1	75%	0.753	78%	0.782	S	S	*	*			trans	-83.5	56.5	157	0	0	0	0	0	109.5	L38	G36-L38 VanDerWaalsContact C-N 3.29Å; G36-L38 PolarHBondContact O-N 2.91Å
37	S	25.7	Very low	25.1	Very low	101 Å²	101	135 Å²	135	71%	0.706	78%	0.775	S	S	*	*			trans	-69.5	96.6	166.2	55.8	0	0	0	0	106.5	T35 A39	T35-S37 PolarHBondContact O-N 2.95Å; S37-A39 PolarHBondContact O-N 3.39Å
38	L	23.9	Very low	25	Very low	160 Å²	160	139 Å²	139	84%	0.838	78%	0.783	S	S	*	*			trans	-57.4	98.4	162.1	-82	162.4	0	0	0	106.8	G36 F40	G36-L38 VanDerWaalsContact C-N 3.29Å; G36-L38 PolarHBondContact O-N 2.91Å; L38-F40 VanDerWaalsContact C-N 3.29Å; L38-F40 PolarHBondContact O-N 2.9Å
39	A	23.5	Very low	25	Very low	80 Å²	80	138.1 Å²	138.1	66%	0.661	78%	0.781	S	S	*	*			trans	-63.7	92.2	171	0	0	0	0	0	108	S37 N41	S37-A39 PolarHBondContact O-N 3.39Å; A39-N41 PolarHBondContact O-N 3.35Å
40	F	23.7	Very low	25.1	Very low	200 Å²	200	134.2 Å²	134.2	88%	0.877	77%	0.774	S	S	*	*			trans	-71.6	84	152.5	-97.6	-88	0	0	0	107	L38 G42	L38-F40 VanDerWaalsContact C-N 3.29Å; L38-F40 PolarHBondContact O-N 2.9Å; F40-G42 PolarHBondContact O-N 3.38Å
41	N	23.3	Very low	25.1	Very low	153 Å²	153	137.8 Å²	137.8	82%	0.818	78%	0.782	S	S	*	*			trans	-66.3	81	157.8	-88	-11.6	0	0	0	107.5	A39	A39-N41 PolarHBondContact O-N 3.35Å
42	G	25.2	Very low	25	Very low	61 Å²	61	137.1 Å²	137.1	63%	0.629	78%	0.777	S	S	*	*			trans	-124	69.6	167.1	0	0	0	0	0	108	F40 F44	F40-G42 PolarHBondContact O-N 3.38Å; G42-F44 PolarHBondContact O-N 3.48Å
43	T	23.5	Very low	25.1	Very low	131 Å²	131	134.1 Å²	134.1	80%	0.804	77%	0.771	S	S	*	*			trans	-66.6	78.1	166.2	38.4	0	0	0	0	108.8
44	F	25.2	Very low	25.2	Very low	190 Å²	190	134.1 Å²	134.1	83%	0.833	77%	0.771	S	S	*	*			trans	-88.8	98.8	155.4	-130.3	-96.6	0	0	0	105.3	G42 P46	G42-F44 PolarHBondContact O-N 3.48Å; F44-P46 WeakPolarHBondContact O-CD 3.41Å
45	V	26.4	Very low	25.2	Very low	114 Å²	114	131.3 Å²	131.3	69%	0.691	76%	0.761	S	S	*	*			trans	-83.8	103.7	166.8	178.4	0	0	0	0	105.3	N47	V45-N47 PolarHBondContact O-N 2.88Å
46	P	29.7	Very low	25.4	Very low	90 Å²	90	133.8 Å²	133.8	58%	0.584	76%	0.764	S	S	*	*			trans	-77.1	115.4	166.3	2.2	19.7	0	0	0	105.4	F44 F48	F44-P46 WeakPolarHBondContact O-CD 3.41Å; P46-F48 HydrophobicContact CB-CD2 4.17Å; P46-F48 PolarHBondContact O-N 2.87Å
47	N	23.9	Very low	25.9	Very low	150 Å²	150	135 Å²	135	80%	0.802	76%	0.761	S	S	*	*			trans	-58.1	91.5	160	-87.5	-8.3	0	0	0	107.7	V45	V45-N47 PolarHBondContact O-N 2.88Å
48	F	26.6	Very low	26.3	Very low	186 Å²	186	138.2 Å²	138.2	82%	0.816	77%	0.769	S	S	*	*			trans	-108	96.1	155.7	-94.9	-86.6	0	0	0	106.3	P46 A50	P46-F48 HydrophobicContact CB-CD2 4.17Å; P46-F48 PolarHBondContact O-N 2.87Å; F48-A50 PolarHBondContact O-N 3.32Å
49	E	25.7	Very low	27	Very low	184 Å²	184	136.3 Å²	136.3	86%	0.86	76%	0.764	S	S	*	*			trans	-58	87	155.3	-69.9	173.6	159.1	0	0	106.8	E51	E49-E51 PolarHBondContact O-N 3.42Å
50	A	25.7	Very low	27.8	Very low	89 Å²	89	139.1 Å²	139.1	74%	0.736	76%	0.763	S	S	*	*			trans	-82.2	97	164.7	0	0	0	0	0	106.1	F48 S52	F48-A50 PolarHBondContact O-N 3.32Å; A50-S52 PolarHBondContact O-N 3.41Å
51	E	27.6	Very low	28.7	Very low	171 Å²	171	133.3 Å²	133.3	80%	0.799	75%	0.745	S	S	*	*			trans	-47.9	114.4	165.1	-74.3	179.1	151.5	0	0	108.4	E49 T53	E49-E51 PolarHBondContact O-N 3.42Å; E51-T53 PolarHBondContact O-N 3.16Å
52	S	23.7	Very low	30	Very low	109 Å²	109	132.2 Å²	132.2	76%	0.762	74%	0.735	S	S	*	*			trans	-69	78.4	171.6	60.3	0	0	0	0	108.4	A50 L54	A50-S52 PolarHBondContact O-N 3.41Å; S52-L54 VanDerWaalsContact C-N 3.31Å; S52-L54 PolarHBondContact O-N 3.44Å; S52-L54 VanDerWaalsContact O-N 3.09Å
53	T	26.7	Very low	31.3	Very low	107 Å²	107	138.1 Å²	138.1	66%	0.656	75%	0.746	S	S	*	*			trans	-72.9	99.7	157.8	44.1	0	0	0	0	106	E51 T55	E51-T53 PolarHBondContact O-N 3.16Å; T53-T55 PolarHBondContact O-N 3Å
54	L	24.9	Very low	33.3	Very low	165 Å²	165	137.8 Å²	137.8	86%	0.864	74%	0.74	S	S	*	*			trans	-57.6	76.9	158.8	-71.7	158.6	0	0	0	107.1	S52 E56	S52-L54 VanDerWaalsContact C-N 3.31Å; S52-L54 PolarHBondContact O-N 3.44Å; S52-L54 VanDerWaalsContact O-N 3.09Å; L54-E56 VanDerWaalsContact C-N 3.27Å; L54-E56 PolarHBondContact O-N 2.97Å
55	T	27.3	Very low	35.9	Very low	117 Å²	117	130.7 Å²	130.7	72%	0.718	71%	0.71	S	S	*	*			trans	-70.8	98.7	162.4	45.2	0	0	0	0	104.9	T53 S57	T53-T55 PolarHBondContact O-N 3Å; T55-S57 VanDerWaalsContact C-N 3.31Å; T55-S57 PolarHBondContact O-N 3.5Å
56	E	28.9	Very low	38.6	Very low	179 Å²	179	131.5 Å²	131.5	84%	0.836	71%	0.709	S	S	*	*			trans	-37.9	104.5	156.5	-70.9	176.3	158.6	0	0	106.9	L54 L58	L54-E56 VanDerWaalsContact C-N 3.27Å; L54-E56 PolarHBondContact O-N 2.97Å; E56-L58 VanDerWaalsContact C-N 3.34Å; E56-L58 PolarHBondContact O-N 2.92Å
57	S	33.5	Very low	41.4	Very low	98 Å²	98	128.2 Å²	128.2	69%	0.685	69%	0.687	S	S	*	*			trans	-60.1	107.2	173.5	52.7	0	0	0	0	105.1	T55 V59	T55-S57 VanDerWaalsContact C-N 3.31Å; T55-S57 PolarHBondContact O-N 3.5Å; S57-V59 PolarHBondContact O-N 3.17Å
58	L	34	Very low	44.6	Very low	169 Å²	169	123.8 Å²	123.8	89%	0.885	66%	0.659	S	S	*	*			trans	-56.4	86.1	163.9	-82.9	140.3	0	0	0	106.5	E56 Q60	E56-L58 VanDerWaalsContact C-N 3.34Å; E56-L58 PolarHBondContact O-N 2.92Å; L58-Q60 PolarHBondContact O-N 3.15Å
59	V	38.5	Very low	47.7	Very low	120 Å²	120	116.5 Å²	116.5	73%	0.727	63%	0.626	S	S	*	*			trans	-65	96.6	165.4	178.5	0	0	0	0	103.7	S57 P61	S57-V59 PolarHBondContact O-N 3.17Å; V59-P61 VanDerWaalsContact O-N 3.17Å
60	Q	40.2	Very low	50.7	Low	139 Å²	139	111.2 Å²	111.2	65%	0.65	61%	0.606	S	S	*	*			trans	-53.1	126	167.7	-90	-167.6	-24.2	0	0	106.6	L58 E62	L58-Q60 PolarHBondContact O-N 3.15Å; Q60-E62 PolarHBondContact O-N 3.31Å; Q60-E62 VanDerWaalsContact O-N 3.1Å
61	P	43.2	Very low	53.5	Low	77 Å²	77	111 Å²	111	50%	0.5	60%	0.604	S	S	.	*			trans	-58.1	122.3	177.5	21.3	-29.1	0	0	0	108.1	V59 H63 D64	V59-P61 VanDerWaalsContact O-N 3.17Å; P61-H63 PolarHBondContact O-N 2.79Å; P61-D64 PolarHBondContact O-N 2.9Å
62	E	49.2	Very low	56.3	Low	130 Å²	130	106 Å²	106	61%	0.607	58%	0.581	S	S	*	*	G	3₁₀ helix	trans	-48.2	-21.8	177.8	-93.7	-179.7	166	0	0	113	Q60 D64 L65	Q60-E62 PolarHBondContact O-N 3.31Å; Q60-E62 VanDerWaalsContact O-N 3.1Å; E62-D64 VanDerWaalsContact C-N 3.27Å; E62-D64 PolarHBondContact O-N 3.49Å; E62-L65 PolarHBondContact O-N 3.47Å
63	H	52.4	Low	59.4	Low	185 Å²	185	102.5 Å²	102.5	86%	0.856	56%	0.562	S	S	*	*	G	3₁₀ helix	trans	-60.2	-25.7	176.8	-95.3	-77.7	0	0	0	115.2	P61	P61-H63 PolarHBondContact O-N 2.79Å
64	D	66.4	Low	62.6	Low	124 Å²	124	98.2 Å²	98.2	66%	0.663	53%	0.534	S	S	*	.	G	3₁₀ helix	trans	-90.9	-10.3	-178.3	-72.6	-18.3	0	0	0	113.7	P61 E62 I66	P61-D64 PolarHBondContact O-N 2.9Å; E62-D64 VanDerWaalsContact C-N 3.27Å; E62-D64 PolarHBondContact O-N 3.49Å; D64-I66 PolarHBondContact O-N 2.87Å
65	L	79.7	Confident	65.9	Low	42 Å²	42	97.5 Å²	97.5	22%	0.22	52%	0.52	C	S	.	.			trans	-81.8	119.8	-179.6	-63.3	174	0	0	0	111.3	E62 E82 K83	E62-L65 PolarHBondContact O-N 3.47Å; L65-E82 HydrophobicContact CD1-CB 4.22Å; L65-E82 HydrophobicContact CD2-CB 4.17Å; L65-K83 HydrophobicContact CB-CB 3.87Å; L65-K83 HydrophobicContact CB-CG 4.21Å; L65-K83 WeakPolarHBondContact O-CD 3.34Å; L65-K83 PolarHBondContact O-NZ 2.91Å; L65-K83 VanDerWaalsContact O-NZ 3.17Å
66	I	83.4	Confident	69	Low	130 Å²	130	93.2 Å²	93.2	67%	0.667	49%	0.493	S	S	*	.			trans	-90.1	144	179.4	-59.1	171.8	0	0	0	109.6	D64 R68	D64-I66 PolarHBondContact O-N 2.87Å; I66-R68 PolarHBondContact O-N 3.48Å
67	D	88.1	Confident	72.2	Confident	21 Å²	21	84.8 Å²	84.8	11%	0.112	45%	0.453	C	S	.	.			trans	-67.2	113.3	169.4	-175.8	-25.6	0	0	0	109.6	R69 T70 F84	D67-R69 PolarHBondContact O-N 3.31Å; D67-R69 VanDerWaalsContact OD1-CB 3.26Å; D67-R69 WeakPolarHBondContact OD1-CB 3.16Å; D67-R69 VanDerWaalsContact OD1-CG 3.3Å; D67-R69 WeakPolarHBondContact OD1-CG 3.25Å; D67-R69 IonicContact OD1-CZ 3.46Å; D67-R69 PolarHBondContact OD1-N 2.87Å; D67-R69 IonicContact OD1-NE 3.68Å; D67-R69 PolarHBondContact OD1-NE 2.87Å; D67-R69 IonicContact OD1-NH2 2.6Å; D67-R69 IonicContact OD2-CZ 3.84Å; D67-R69 VanDerWaalsContact OD2-CZ 3.3Å; D67-R69 IonicContact OD2-NE 2.68Å; D67-R69 PolarHBondContact OD2-NE 3.37Å; D67-R69 VanDerWaalsContact OD2-NE 3.12Å; D67-R69 IonicContact OD2-NH2 3.31Å; D67-R69 PolarHBondContact OD2-NH2 3.37Å; D67-T70 WeakPolarHBondContact O-CB 3.41Å; D67-T70 PolarHBondContact O-N 3.45Å; D67-T70 PolarHBondContact O-OG1 3.45Å; D67-F84 HydrophobicContact CB-CE2 4.4Å
68	R	90.1	Very high	75.2	Confident	58 Å²	58	80.4 Å²	80.4	22%	0.219	42%	0.422	C	S	.	.	G	3₁₀ helix	trans	-57.7	-21.9	-175.4	-70.8	-171.4	164.6	-115.7	-1.6	113.4	I66 T70 F80 E82 H170 E237	I66-R68 PolarHBondContact O-N 3.48Å; R68-T70 VanDerWaalsContact C-N 3.26Å; R68-T70 PolarHBondContact O-N 2.91Å; R68-F80 HydrophobicContact CB-CE2 4.09Å; R68-F80 HydrophobicContact CB-CZ 4.16Å; R68-E82 IonicContact CZ-OE1 2.77Å; R68-E82 IonicContact CZ-OE2 3.71Å; R68-E82 IonicContact NE-OE1 3.37Å; R68-E82 IonicContact NE-OE2 3.39Å; R68-E82 PolarHBondContact NE-OE2 3.16Å; R68-E82 IonicContact NH2-OE1 3.03Å; R68-E82 PolarHBondContact NH2-OE1 2.86Å; R68-E82 IonicContact NH2-OE2 2.88Å; R68-E82 PolarHBondContact NH2-OE2 2.94Å; R68-H170 PolarHBondContact NH1-CD2 2.87Å; R68-H170 VanDerWaalsContact NH1-CD2 3.29Å; R68-H170 PolarHBondContact NH1-NE2 3.19Å; R68-E237 WeakPolarHBondContact CD-OE2 3.36Å; R68-E237 IonicContact CZ-OE2 3.71Å; R68-E237 IonicContact NE-OE2 2.86Å; R68-E237 IonicContact NH1-OE1 3.58Å; R68-E237 PolarHBondContact NH1-OE1 2.67Å; R68-E237 IonicContact NH1-OE2 3.04Å; R68-E237 PolarHBondContact NH1-OE2 2.87Å
69	R	93	Very high	78.1	Confident	33 Å²	33	73.2 Å²	73.2	13%	0.125	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-66.9	-27	176.6	-59.2	175.8	-62.5	167.2	3.7	113	D67 A71 G73 W74 W75 L77 F80	D67-R69 PolarHBondContact O-N 3.31Å; D67-R69 VanDerWaalsContact OD1-CB 3.26Å; D67-R69 WeakPolarHBondContact OD1-CB 3.16Å; D67-R69 VanDerWaalsContact OD1-CG 3.3Å; D67-R69 WeakPolarHBondContact OD1-CG 3.25Å; D67-R69 IonicContact OD1-CZ 3.46Å; D67-R69 PolarHBondContact OD1-N 2.87Å; D67-R69 IonicContact OD1-NE 3.68Å; D67-R69 PolarHBondContact OD1-NE 2.87Å; D67-R69 IonicContact OD1-NH2 2.6Å; D67-R69 IonicContact OD2-CZ 3.84Å; D67-R69 VanDerWaalsContact OD2-CZ 3.3Å; D67-R69 IonicContact OD2-NE 2.68Å; D67-R69 PolarHBondContact OD2-NE 3.37Å; D67-R69 VanDerWaalsContact OD2-NE 3.12Å; D67-R69 IonicContact OD2-NH2 3.31Å; D67-R69 PolarHBondContact OD2-NH2 3.37Å; R69-A71 VanDerWaalsContact C-N 3.33Å; R69-A71 PolarHBondContact O-N 3.06Å; R69-G73 CarbonylContact O-C 3.46Å; R69-G73 WeakPolarHBondContact O-CA 3.29Å; R69-G73 PolarHBondContact O-N 3.27Å; R69-W74 HydrophobicContact CB-CB 4.32Å; R69-W74 HydrophobicContact CG-CB 4.5Å; R69-W74 PolarHBondContact O-N 2.89Å; R69-W75 HydrophobicContact CB-CE3 4.33Å; R69-W75 HydrophobicContact CB-CZ3 4.28Å; R69-L77 WeakPolarHBondContact CD-O 3.41Å; R69-L77 PolarHBondContact NH1-O 3.38Å; R69-F80 HydrophobicContact CG-CD1 4.03Å; R69-F80 HydrophobicContact CG-CE1 3.69Å
70	T	89	Confident	80.8	Confident	73 Å²	73	67.6 Å²	67.6	45%	0.448	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-64.3	-37	-170.5	-40.9	0	0	0	0	112.4	D67 R68 E72 W75	D67-T70 WeakPolarHBondContact O-CB 3.41Å; D67-T70 PolarHBondContact O-N 3.45Å; D67-T70 PolarHBondContact O-OG1 3.45Å; R68-T70 VanDerWaalsContact C-N 3.26Å; R68-T70 PolarHBondContact O-N 2.91Å; T70-E72 VanDerWaalsContact C-N 3.34Å; T70-E72 PolarHBondContact O-N 3.41Å; T70-W75 HydrophobicContact CG2-CH2 4.3Å; T70-W75 HydrophobicContact CG2-CZ2 4.17Å
71	A	83.1	Confident	83.3	Confident	83 Å²	83	61 Å²	61	69%	0.686	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-63.2	-36.2	-173.2	0	0	0	0	0	113.6	R69	R69-A71 VanDerWaalsContact C-N 3.33Å; R69-A71 PolarHBondContact O-N 3.06Å
72	E	86.8	Confident	85.5	Confident	67 Å²	67	60.9 Å²	60.9	31%	0.313	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.7	2.8	-178.6	-56	-78.5	-177.1	0	0	112.3	T70 W74 R238 K257	T70-E72 VanDerWaalsContact C-N 3.34Å; T70-E72 PolarHBondContact O-N 3.41Å; E72-W74 HydrophobicContact CB-CD2 3.91Å; E72-W74 VanDerWaalsContact CB-CE2 3.44Å; E72-W74 HydrophobicContact CB-CG 4.16Å; E72-W74 HydrophobicContact CB-CZ2 3.83Å; E72-W74 HydrophobicContact CG-CD2 4.47Å; E72-W74 HydrophobicContact CG-CH2 4.08Å; E72-W74 HydrophobicContact CG-CZ2 3.62Å; E72-R238 IonicContact OE1-CZ 3.82Å; E72-R238 IonicContact OE1-NH1 3.6Å; E72-R238 PolarHBondContact OE1-NH1 3.46Å; E72-R238 IonicContact OE1-NH2 3.83Å; E72-R238 PolarHBondContact OE1-NH2 3.33Å; E72-K257 VanDerWaalsContact CD-NZ 3.3Å; E72-K257 WeakPolarHBondContact OE1-CE 3.41Å; E72-K257 IonicContact OE1-NZ 3.45Å; E72-K257 PolarHBondContact OE1-NZ 2.75Å; E72-K257 IonicContact OE2-NZ 2.63Å; E72-K257 PolarHBondContact OE2-NZ 3.04Å
73	G	90.1	Very high	87.4	Confident	36 Å²	36	59 Å²	59	37%	0.371	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.9	36.7	-178.5	0	0	0	0	0	114.4	R69 W75	R69-G73 CarbonylContact O-C 3.46Å; R69-G73 WeakPolarHBondContact O-CA 3.29Å; R69-G73 PolarHBondContact O-N 3.27Å; G73-W75 PolarHBondContact O-N 3.43Å
74	W	93.3	Very high	89.1	Confident	17 Å²	17	52.3 Å²	52.3	6%	0.064	27%	0.272	C	S	.	.			trans	-75.6	50.2	-179.7	-62.2	-26.6	0	0	0	113.3	R69 E72 N76 L77 F80 E237 R238 T262 A281	R69-W74 HydrophobicContact CB-CB 4.32Å; R69-W74 HydrophobicContact CG-CB 4.5Å; R69-W74 PolarHBondContact O-N 2.89Å; E72-W74 HydrophobicContact CB-CD2 3.91Å; E72-W74 VanDerWaalsContact CB-CE2 3.44Å; E72-W74 HydrophobicContact CB-CG 4.16Å; E72-W74 HydrophobicContact CB-CZ2 3.83Å; E72-W74 HydrophobicContact CG-CD2 4.47Å; E72-W74 HydrophobicContact CG-CH2 4.08Å; E72-W74 HydrophobicContact CG-CZ2 3.62Å; W74-N76 PolarHBondContact O-N 2.9Å; W74-L77 HydrophobicContact CB-CD1 4.01Å; W74-L77 HydrophobicContact CB-CG 4.18Å; W74-L77 WeakPolarHBondContact O-CB 3.37Å; W74-L77 PolarHBondContact O-N 3.38Å; W74-L77 VanDerWaalsContact O-N 3.12Å; W74-F80 HydrophobicContact CE3-CZ 4.17Å; W74-F80 HydrophobicContact CZ3-CZ 4.34Å; W74-E237 HydrophobicContact CH2-CG 4.41Å; W74-E237 HydrophobicContact CZ3-CG 4.09Å; W74-R238 HydrophobicContact CH2-CG 3.86Å; W74-T262 HydrophobicContact CD2-CG2 4.06Å; W74-T262 HydrophobicContact CE3-CG2 3.82Å; W74-T262 HydrophobicContact CH2-CG2 3.91Å; W74-T262 VanDerWaalsContact CH2-OG1 3.26Å; W74-T262 WeakPolarHBondContact CH2-OG1 3.27Å; W74-T262 HydrophobicContact CZ2-CG2 4.12Å; W74-T262 WeakPolarHBondContact CZ2-OG1 3.32Å; W74-T262 HydrophobicContact CZ3-CG2 3.76Å; W74-A281 HydrophobicContact CB-CB 4.01Å; W74-A281 HydrophobicContact CD2-CB 4.31Å; W74-A281 HydrophobicContact CG-CB 3.71Å
75	W	93.2	Very high	90.2	Very high	149 Å²	149	52.4 Å²	52.4	56%	0.564	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-8.9	-173.8	-58.9	116	0	0	0	114.4	R69 T70 G73 L77	R69-W75 HydrophobicContact CB-CE3 4.33Å; R69-W75 HydrophobicContact CB-CZ3 4.28Å; T70-W75 HydrophobicContact CG2-CH2 4.3Å; T70-W75 HydrophobicContact CG2-CZ2 4.17Å; G73-W75 PolarHBondContact O-N 3.43Å; W75-L77 VanDerWaalsContact C-N 3.31Å
76	N	93.2	Very high	90.8	Very high	28 Å²	28	51 Å²	51	15%	0.15	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-15.4	171.2	69.3	-34.5	0	0	0	113	W74 Y280 V337 R338 R340	W74-N76 PolarHBondContact O-N 2.9Å; N76-Y280 PolarHBondContact ND2-O 3.45Å; N76-V337 HydrophobicContact CB-CG1 3.87Å; N76-R338 PolarHBondContact ND2-O 2.9Å; N76-R340 PolarHBondContact O-NH2 2.94Å
77	L	96.5	Very high	91.1	Very high	1 Å²	1	47 Å²	47	1%	0.005	24%	0.238	C	C	.	.	S	Bend	trans	-84.8	143	172.5	-50.3	-174.2	0	0	0	110.1	R69 W74 W75 F80 T235 T262 Q264 N279 A281	R69-L77 WeakPolarHBondContact CD-O 3.41Å; R69-L77 PolarHBondContact NH1-O 3.38Å; W74-L77 HydrophobicContact CB-CD1 4.01Å; W74-L77 HydrophobicContact CB-CG 4.18Å; W74-L77 WeakPolarHBondContact O-CB 3.37Å; W74-L77 PolarHBondContact O-N 3.38Å; W74-L77 VanDerWaalsContact O-N 3.12Å; W75-L77 VanDerWaalsContact C-N 3.31Å; L77-F80 HydrophobicContact CB-CE1 4.43Å; L77-F80 HydrophobicContact CD1-CD1 4.45Å; L77-F80 HydrophobicContact CD1-CE1 3.76Å; L77-F80 HydrophobicContact CD1-CZ 4.47Å; L77-T235 HydrophobicContact CD1-CG2 4.5Å; L77-T262 HydrophobicContact CD1-CG2 3.91Å; L77-Q264 HydrophobicContact CD2-CB 3.93Å; L77-N279 HydrophobicContact CD2-CB 3.48Å; L77-N279 VanDerWaalsContact CD2-CB 3.48Å; L77-N279 WeakPolarHBondContact CD2-O 3.39Å; L77-A281 HydrophobicContact CD1-CB 3.82Å; L77-A281 HydrophobicContact CD2-CB 3.94Å; L77-A281 HydrophobicContact CG-CB 3.9Å
78	Y	96.6	Very high	91.3	Very high	6 Å²	6	48.1 Å²	48.1	2%	0.024	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-64.2	153	165.3	-66.7	-70.3	0	0	0	110	F80 L208 I212 D215 Q264 V266 L277 R340	Y78-F80 PolarHBondContact O-N 3.29Å; Y78-L208 HydrophobicContact CD1-CD1 3.38Å; Y78-L208 HydrophobicContact CE1-CD1 4.04Å; Y78-L208 HydrophobicContact CG-CD1 3.96Å; Y78-I212 HydrophobicContact CE1-CG1 3.92Å; Y78-I212 HydrophobicContact CE2-CG1 4.08Å; Y78-D215 PolarHBondContact OH-OD2 3.44Å; Y78-Q264 PolarHBondContact O-NE2 3.09Å; Y78-V266 HydrophobicContact CD2-CG2 3.63Å; Y78-V266 HydrophobicContact CE2-CG2 4.01Å; Y78-L277 HydrophobicContact CE2-CD2 4Å; Y78-R340 PolarHBondContact OH-NH1 2.92Å
79	P	94.9	Very high	91.2	Very high	19 Å²	19	45.7 Å²	45.7	12%	0.123	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-56.9	137.8	-178.2	-10.5	19	0	0	0	111.8	F84 R174	P79-F84 HydrophobicContact CB-CD1 3.88Å; P79-F84 HydrophobicContact CB-CD2 3.81Å; P79-F84 HydrophobicContact CB-CE1 3.52Å; P79-F84 HydrophobicContact CB-CE2 3.43Å; P79-F84 VanDerWaalsContact CB-CE2 3.43Å; P79-F84 HydrophobicContact CB-CG 4.02Å; P79-F84 HydrophobicContact CB-CZ 3.29Å; P79-F84 HydrophobicContact CG-CE1 4.28Å; P79-F84 HydrophobicContact CG-CZ 4.29Å; P79-R174 PolarHBondContact O-NH2 3.42Å
80	F	94.6	Very high	90.5	Very high	1 Å²	1	47 Å²	47	0%	0.004	25%	0.253	C	S	.	.			trans	-150.2	163.9	-177.3	73.8	-89.1	0	0	0	111.1	R68 R69 W74 L77 Y78 F84 D86 W172 T235 E237	R68-F80 HydrophobicContact CB-CE2 4.09Å; R68-F80 HydrophobicContact CB-CZ 4.16Å; R69-F80 HydrophobicContact CG-CD1 4.03Å; R69-F80 HydrophobicContact CG-CE1 3.69Å; W74-F80 HydrophobicContact CE3-CZ 4.17Å; W74-F80 HydrophobicContact CZ3-CZ 4.34Å; L77-F80 HydrophobicContact CB-CE1 4.43Å; L77-F80 HydrophobicContact CD1-CD1 4.45Å; L77-F80 HydrophobicContact CD1-CE1 3.76Å; L77-F80 HydrophobicContact CD1-CZ 4.47Å; Y78-F80 PolarHBondContact O-N 3.29Å; F80-F84 WeakPolarHBondContact O-CD2 3.33Å; F80-D86 WeakPolarHBondContact CA-OD2 3.37Å; F80-D86 VanDerWaalsContact CB-OD2 3.28Å; F80-D86 WeakPolarHBondContact CB-OD2 3.49Å; F80-W172 AromaticContact CD2-CD1 3.51Å; F80-W172 HydrophobicContact CD2-CG 4.09Å; F80-W172 AromaticContact CE2-CD1 3.79Å; F80-T235 HydrophobicContact CD1-CG2 3.89Å; F80-T235 HydrophobicContact CD2-CG2 3.75Å; F80-T235 HydrophobicContact CE1-CG2 3.95Å; F80-T235 HydrophobicContact CE2-CG2 3.81Å; F80-T235 HydrophobicContact CG-CG2 3.79Å; F80-T235 HydrophobicContact CZ-CG2 3.91Å; F80-E237 HydrophobicContact CE2-CB 4.18Å; F80-E237 HydrophobicContact CE2-CG 4.3Å
81	G	91.8	Very high	89.8	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.01	25%	0.248	C	C	.	.	S	Bend	trans	105.5	-174.6	-179.4	0	0	0	0	0	113.8	K83 F84 D86	G81-K83 VanDerWaalsContact C-N 3.26Å; G81-K83 PolarHBondContact O-N 3.49Å; G81-F84 PolarHBondContact O-N 3Å; G81-D86 PolarHBondContact N-OD2 3.09Å; G81-D86 PolarHBondContact O-N 2.87Å
82	E	89.2	Confident	89.2	Confident	74 Å²	74	49.4 Å²	49.4	35%	0.346	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-57.6	-38.6	-171.6	-56.4	90.3	154.1	0	0	112.3	L65 R68 F84 K85 W172	L65-E82 HydrophobicContact CD1-CB 4.22Å; L65-E82 HydrophobicContact CD2-CB 4.17Å; R68-E82 IonicContact CZ-OE1 2.77Å; R68-E82 IonicContact CZ-OE2 3.71Å; R68-E82 IonicContact NE-OE1 3.37Å; R68-E82 IonicContact NE-OE2 3.39Å; R68-E82 PolarHBondContact NE-OE2 3.16Å; R68-E82 IonicContact NH2-OE1 3.03Å; R68-E82 PolarHBondContact NH2-OE1 2.86Å; R68-E82 IonicContact NH2-OE2 2.88Å; R68-E82 PolarHBondContact NH2-OE2 2.94Å; E82-F84 PolarHBondContact O-N 3.32Å; E82-F84 VanDerWaalsContact O-N 3.08Å; E82-K85 PolarHBondContact O-N 2.97Å; E82-W172 HydrophobicContact CG-CH2 3.64Å; E82-W172 HydrophobicContact CG-CZ3 3.94Å; E82-W172 VanDerWaalsContact OE1-CH2 3.26Å; E82-W172 WeakPolarHBondContact OE1-CH2 3.36Å
83	K	89.1	Confident	88.2	Confident	90 Å²	90	50.7 Å²	50.7	39%	0.391	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-53.1	-32	176.3	-174	176.6	-170.6	146.1	0	113	L65 G81	L65-K83 HydrophobicContact CB-CB 3.87Å; L65-K83 HydrophobicContact CB-CG 4.21Å; L65-K83 WeakPolarHBondContact O-CD 3.34Å; L65-K83 PolarHBondContact O-NZ 2.91Å; L65-K83 VanDerWaalsContact O-NZ 3.17Å; G81-K83 VanDerWaalsContact C-N 3.26Å; G81-K83 PolarHBondContact O-N 3.49Å
84	F	89.5	Confident	87	Confident	46 Å²	46	53.3 Å²	53.3	20%	0.202	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-103.7	13.8	-175.1	-59.7	-76.3	0	0	0	112.8	D67 P79 F80 G81 E82 D86 R174	D67-F84 HydrophobicContact CB-CE2 4.4Å; P79-F84 HydrophobicContact CB-CD1 3.88Å; P79-F84 HydrophobicContact CB-CD2 3.81Å; P79-F84 HydrophobicContact CB-CE1 3.52Å; P79-F84 HydrophobicContact CB-CE2 3.43Å; P79-F84 VanDerWaalsContact CB-CE2 3.43Å; P79-F84 HydrophobicContact CB-CG 4.02Å; P79-F84 HydrophobicContact CB-CZ 3.29Å; P79-F84 HydrophobicContact CG-CE1 4.28Å; P79-F84 HydrophobicContact CG-CZ 4.29Å; F80-F84 WeakPolarHBondContact O-CD2 3.33Å; G81-F84 PolarHBondContact O-N 3Å; E82-F84 PolarHBondContact O-N 3.32Å; E82-F84 VanDerWaalsContact O-N 3.08Å; F84-D86 VanDerWaalsContact C-N 3.27Å; F84-D86 PolarHBondContact O-N 3.13Å; F84-R174 PolarHBondContact O-NH1 2.94Å
85	K	88.7	Confident	86.2	Confident	125 Å²	125	57.7 Å²	57.7	54%	0.543	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	61	32.5	-179.9	-52.8	-178.4	-179.6	-176.4	0	113.4	E82 V203	E82-K85 PolarHBondContact O-N 2.97Å; K85-V203 HydrophobicContact CB-CG2 4.03Å
86	D	91.8	Very high	85.5	Confident	12 Å²	12	52.7 Å²	52.7	6%	0.064	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-71.9	141.1	171.6	-67.6	0.7	0	0	0	110.1	F80 G81 F84 W172 Y173 R174	F80-D86 WeakPolarHBondContact CA-OD2 3.37Å; F80-D86 VanDerWaalsContact CB-OD2 3.28Å; F80-D86 WeakPolarHBondContact CB-OD2 3.49Å; G81-D86 PolarHBondContact N-OD2 3.09Å; G81-D86 PolarHBondContact O-N 2.87Å; F84-D86 VanDerWaalsContact C-N 3.27Å; F84-D86 PolarHBondContact O-N 3.13Å; D86-W172 HydrophobicContact CB-CB 3.99Å; D86-W172 HydrophobicContact CB-CD2 4.39Å; D86-W172 HydrophobicContact CB-CE3 3.79Å; D86-Y173 WeakPolarHBondContact CA-O 3.48Å; D86-R174 WeakPolarHBondContact OD1-CD 3.46Å; D86-R174 WeakPolarHBondContact OD1-CG 3.41Å; D86-R174 IonicContact OD1-CZ 3.33Å; D86-R174 IonicContact OD1-NE 2.74Å; D86-R174 PolarHBondContact OD1-NE 3.16Å
87	I	91.4	Very high	85.2	Confident	46 Å²	46	53.2 Å²	53.2	24%	0.236	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	132.3	169.8	-68.3	173.9	0	0	0	109	W172 Y173 D200	I87-W172 CarbonylContact O-C 3.51Å; I87-W172 WeakPolarHBondContact O-CA 3.24Å; I87-Y173 HydrophobicContact CB-CD1 4.07Å; I87-Y173 HydrophobicContact CB-CE1 3.58Å; I87-Y173 HydrophobicContact CB-CE2 4.47Å; I87-Y173 HydrophobicContact CD1-CE1 4.41Å; I87-Y173 HydrophobicContact CD1-CE2 4.25Å; I87-Y173 WeakPolarHBondContact CD1-OH 3.32Å; I87-Y173 HydrophobicContact CG2-CD1 4.28Å; I87-Y173 HydrophobicContact CG2-CE1 3.5Å; I87-Y173 PolarHBondContact N-O 3.16Å; I87-Y173 PolarHBondContact O-N 3.44Å; I87-D200 VanDerWaalsContact CD1-C 3.43Å; I87-D200 HydrophobicContact CD1-CB 3.92Å; I87-D200 WeakPolarHBondContact CD1-O 3.37Å; I87-D200 HydrophobicContact CG1-CB 4.08Å
88	D	90.9	Very high	84.8	Confident	46 Å²	46	58.8 Å²	58.8	25%	0.246	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	123.5	170.2	-158.7	-23.1	0	0	0	110.7	A90 R167 H170 W172	D88-A90 PolarHBondContact O-N 2.77Å; D88-R167 IonicContact OD1-CZ 3.71Å; D88-R167 IonicContact OD1-NH1 3.91Å; D88-R167 IonicContact OD1-NH2 3.62Å; D88-R167 PolarHBondContact OD1-NH2 3.41Å; D88-R167 IonicContact OD2-CZ 3.51Å; D88-R167 IonicContact OD2-NH2 3.03Å; D88-R167 PolarHBondContact OD2-NH2 2.93Å; D88-H170 IonicContact OD1-ND1 3.57Å; D88-H170 IonicContact OD2-CE1 3.49Å; D88-H170 IonicContact OD2-CG 2.7Å; D88-H170 IonicContact OD2-ND1 2.82Å; D88-H170 PolarHBondContact OD2-ND1 3.39Å; D88-W172 HydrophobicContact CB-CE3 3.89Å; D88-W172 HydrophobicContact CB-CH2 3.75Å; D88-W172 HydrophobicContact CB-CZ3 3.4Å; D88-W172 VanDerWaalsContact CB-CZ3 3.4Å; D88-W172 WeakPolarHBondContact OD2-CH2 3.37Å
89	I	87.9	Confident	84.3	Confident	6 Å²	6	59 Å²	59	3%	0.031	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-72.6	131.6	174.8	-59.7	-177.9	0	0	0	109.5	D91 V97 I117 R167 V171 Y173	I89-D91 PolarHBondContact O-N 3.28Å; I89-V97 HydrophobicContact CB-CG2 4.42Å; I89-V97 HydrophobicContact CD1-CB 4.36Å; I89-V97 HydrophobicContact CD1-CG2 3.97Å; I89-V97 HydrophobicContact CG1-CG2 3.98Å; I89-V97 HydrophobicContact CG2-CG2 3.71Å; I89-I117 HydrophobicContact CD1-CB 3.96Å; I89-I117 HydrophobicContact CD1-CG2 3.55Å; I89-R167 PolarHBondContact O-NH1 2.86Å; I89-V171 HydrophobicContact CB-CB 4.21Å; I89-V171 HydrophobicContact CD1-CB 4.26Å; I89-V171 HydrophobicContact CD1-CG1 3.78Å; I89-V171 HydrophobicContact CG1-CB 4.43Å; I89-V171 HydrophobicContact CG1-CG1 4.4Å; I89-V171 WeakPolarHBondContact CG1-O 3.41Å; I89-V171 PolarHBondContact N-O 3.15Å; I89-Y173 HydrophobicContact CD1-CD1 4.1Å; I89-Y173 HydrophobicContact CG1-CD1 3.88Å; I89-Y173 HydrophobicContact CG1-CE1 4.07Å
90	A	78.9	Confident	84	Confident	60 Å²	60	62.4 Å²	62.4	50%	0.496	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-60.2	136.7	175.6	0	0	0	0	0	110.8	D88 R92	D88-A90 PolarHBondContact O-N 2.77Å; A90-R92 PolarHBondContact O-N 2.8Å
91	D	75	Confident	83.8	Confident	64 Å²	64	62.5 Å²	62.5	34%	0.342	31%	0.308	S	S	.	.	S	Bend	trans	-66.1	93.3	176.1	177	18.7	0	0	0	110.7	I89 F160 H162	I89-D91 PolarHBondContact O-N 3.28Å; D91-F160 HydrophobicContact CB-CB 4.39Å; D91-F160 HydrophobicContact CB-CD1 4.4Å; D91-F160 HydrophobicContact CB-CD2 4.02Å; D91-F160 HydrophobicContact CB-CE2 4.36Å; D91-F160 HydrophobicContact CB-CG 4.03Å; D91-F160 WeakPolarHBondContact OD1-CD2 2.95Å; D91-H162 IonicContact OD2-CE1 3.64Å; D91-H162 PolarHBondContact OD2-CE1 3.4Å; D91-H162 IonicContact OD2-NE2 3.94Å
92	R	70.8	Confident	83.4	Confident	143 Å²	143	65.3 Å²	65.3	54%	0.54	34%	0.337	S	S	.	.			trans	-142.1	107.5	172.8	-65.9	-171.8	-172.5	-174.3	9.1	108	A90 W94 K95	A90-R92 PolarHBondContact O-N 2.8Å; R92-W94 PolarHBondContact O-N 2.75Å; R92-K95 HydrophobicContact CB-CB 3.76Å; R92-K95 HydrophobicContact CB-CD 4.12Å; R92-K95 HydrophobicContact CG-CD 4.49Å; R92-K95 PolarHBondContact O-N 3.38Å
93	P	65.9	Low	83.4	Confident	95 Å²	95	62 Å²	62	62%	0.617	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	139.2	178.5	-24.4	32.4	0	0	0	111.4	K95	P93-K95 PolarHBondContact O-N 2.63Å
94	W	64.4	Low	83.5	Confident	91 Å²	91	62.2 Å²	62.2	35%	0.345	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	58	13.6	177.7	-56.8	97.5	0	0	0	116.2	R92 E120 Y130	R92-W94 PolarHBondContact O-N 2.75Å; W94-E120 HydrophobicContact CD2-CG 4.37Å; W94-E120 HydrophobicContact CE3-CG 4.2Å; W94-E120 HydrophobicContact CH2-CB 4.33Å; W94-E120 HydrophobicContact CH2-CG 3.64Å; W94-E120 HydrophobicContact CZ2-CG 3.81Å; W94-E120 HydrophobicContact CZ3-CB 4.44Å; W94-E120 HydrophobicContact CZ3-CG 3.86Å; W94-E120 PolarHBondContact N-OE1 3.31Å; W94-Y130 HydrophobicContact CD2-CD2 4.04Å; W94-Y130 HydrophobicContact CD2-CE2 4.18Å; W94-Y130 AromaticContact CE2-CE2 3.66Å; W94-Y130 AromaticContact CE3-CD2 3.74Å; W94-Y130 HydrophobicContact CE3-CD2 3.74Å; W94-Y130 HydrophobicContact CE3-CE2 4.2Å; W94-Y130 AromaticContact CH2-CD2 3.44Å; W94-Y130 HydrophobicContact CH2-CD2 3.44Å; W94-Y130 VanDerWaalsContact CH2-CD2 3.44Å; W94-Y130 AromaticContact CH2-CE2 3.22Å; W94-Y130 HydrophobicContact CH2-CE2 3.22Å; W94-Y130 AromaticContact CZ2-CD2 3.76Å; W94-Y130 HydrophobicContact CZ2-CD2 3.76Å; W94-Y130 AromaticContact CZ2-CE2 3.18Å; W94-Y130 HydrophobicContact CZ2-CE2 3.18Å; W94-Y130 AromaticContact CZ3-CD2 3.43Å; W94-Y130 HydrophobicContact CZ3-CD2 3.43Å; W94-Y130 VanDerWaalsContact CZ3-CD2 3.43Å; W94-Y130 AromaticContact CZ3-CE2 3.76Å; W94-Y130 HydrophobicContact CZ3-CE2 3.76Å
95	K	75.9	Confident	83.7	Confident	109 Å²	109	60.1 Å²	60.1	47%	0.474	31%	0.311	S	S	.	.			trans	-97.2	114	173.1	-165.2	-175.8	180	-169.2	0	109.3	R92 P93	R92-K95 HydrophobicContact CB-CB 3.76Å; R92-K95 HydrophobicContact CB-CD 4.12Å; R92-K95 HydrophobicContact CG-CD 4.49Å; R92-K95 PolarHBondContact O-N 3.38Å; P93-K95 PolarHBondContact O-N 2.63Å
96	D	79.6	Confident	83.8	Confident	44 Å²	44	54.2 Å²	54.2	24%	0.235	29%	0.285	C	S	.	.			trans	-72.6	156.4	173.8	59.8	-66.1	0	0	0	112.5	F116 I117 Y118	D96-F116 HydrophobicContact CB-CB 4.2Å; D96-F116 VanDerWaalsContact OD2-CD1 3.22Å; D96-F116 WeakPolarHBondContact OD2-CD1 3.33Å; D96-I117 WeakPolarHBondContact CA-O 3.26Å; D96-Y118 HydrophobicContact CB-CD1 4.28Å; D96-Y118 HydrophobicContact CB-CD2 4.46Å; D96-Y118 HydrophobicContact CB-CE1 3.74Å; D96-Y118 HydrophobicContact CB-CE2 3.96Å
97	V	85.2	Confident	83.8	Confident	38 Å²	38	53.7 Å²	53.7	23%	0.23	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	110.9	161.4	-179.4	0	0	0	0	107.5	I89 I99 F116 I117 Y173	I89-V97 HydrophobicContact CB-CG2 4.42Å; I89-V97 HydrophobicContact CD1-CB 4.36Å; I89-V97 HydrophobicContact CD1-CG2 3.97Å; I89-V97 HydrophobicContact CG1-CG2 3.98Å; I89-V97 HydrophobicContact CG2-CG2 3.71Å; V97-I99 HydrophobicContact CG1-CG1 4.04Å; V97-F116 WeakPolarHBondContact O-CA 3.3Å; V97-I117 PolarHBondContact N-O 2.77Å; V97-I117 VanDerWaalsContact N-O 3.15Å; V97-I117 PolarHBondContact O-N 2.92Å; V97-Y173 HydrophobicContact CG1-CE1 4.21Å
98	Q	88.3	Confident	83.4	Confident	118 Å²	118	52.4 Å²	52.4	55%	0.551	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.3	130.4	170.1	-176.4	174.6	-0.6	0	0	109.8	F116	Q98-F116 HydrophobicContact CB-CD1 3.68Å; Q98-F116 HydrophobicContact CB-CE1 3.64Å; Q98-F116 HydrophobicContact CG-CD1 3.87Å; Q98-F116 HydrophobicContact CG-CE1 3.45Å; Q98-F116 VanDerWaalsContact CG-CE1 3.45Å; Q98-F116 HydrophobicContact CG-CZ 4.3Å
99	I	87.5	Confident	83.1	Confident	10 Å²	10	50.3 Å²	50.3	5%	0.051	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	129.1	-178.9	-60.4	171.8	0	0	0	108.7	V97 Y114 T115 I117 Y173 I175	V97-I99 HydrophobicContact CG1-CG1 4.04Å; I99-Y114 CarbonylContact O-C 3.57Å; I99-Y114 VanDerWaalsContact O-CA 3.23Å; I99-Y114 WeakPolarHBondContact O-CA 3.4Å; I99-Y114 WeakPolarHBondContact O-CB 3.32Å; I99-T115 HydrophobicContact CB-CG2 4.19Å; I99-T115 PolarHBondContact N-O 3.13Å; I99-T115 PolarHBondContact O-N 2.78Å; I99-I117 HydrophobicContact CD1-CD1 3.22Å; I99-I117 HydrophobicContact CD1-CG1 3.64Å; I99-Y173 HydrophobicContact CD1-CD1 4.43Å; I99-Y173 HydrophobicContact CD1-CD2 3.45Å; I99-Y173 VanDerWaalsContact CD1-CD2 3.45Å; I99-Y173 HydrophobicContact CD1-CE1 4.35Å; I99-Y173 HydrophobicContact CD1-CE2 3.37Å; I99-Y173 HydrophobicContact CD1-CG 3.99Å; I99-Y173 HydrophobicContact CG1-CE2 3.97Å; I99-I175 HydrophobicContact CG2-CD1 3.54Å; I99-I175 HydrophobicContact CG2-CG1 4.45Å
100	D	88.7	Confident	83.1	Confident	92 Å²	92	50.5 Å²	50.5	49%	0.492	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	120.7	162.6	-174.2	-7.3	0	0	0	108.8	G102 N113 I175 R202	D100-G102 VanDerWaalsContact C-N 3.33Å; D100-G102 PolarHBondContact OD1-N 3.29Å; D100-N113 VanDerWaalsContact OD1-O 3.08Å; D100-I175 WeakPolarHBondContact O-CD1 3.44Å; D100-R202 PolarHBondContact O-NH2 3.41Å
101	L	88.9	Confident	83.5	Confident	3 Å²	3	52 Å²	52	2%	0.016	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	-32.3	-178.1	-65.7	174.4	0	0	0	111.2	F103 F105 N113 T115 L232	L101-F103 HydrophobicContact CB-CD1 4.05Å; L101-F103 HydrophobicContact CB-CD2 4.32Å; L101-F103 HydrophobicContact CB-CE1 3.86Å; L101-F103 HydrophobicContact CB-CE2 4.15Å; L101-F103 HydrophobicContact CB-CG 4.28Å; L101-F103 HydrophobicContact CB-CZ 3.92Å; L101-F103 HydrophobicContact CD1-CE2 4.13Å; L101-F103 HydrophobicContact CD1-CZ 4.37Å; L101-F103 HydrophobicContact CD2-CE1 4.33Å; L101-F103 HydrophobicContact CD2-CE2 4.45Å; L101-F103 HydrophobicContact CD2-CZ 3.88Å; L101-F103 HydrophobicContact CG-CE2 4.48Å; L101-F103 HydrophobicContact CG-CZ 4.27Å; L101-F103 WeakPolarHBondContact O-CD1 3.41Å; L101-F103 VanDerWaalsContact O-CE1 3.24Å; L101-F103 WeakPolarHBondContact O-CE1 3.42Å; L101-F103 PolarHBondContact O-N 2.79Å; L101-F105 HydrophobicContact CD1-CB 4.13Å; L101-N113 WeakPolarHBondContact CB-O 3.37Å; L101-N113 PolarHBondContact N-O 3.41Å; L101-T115 HydrophobicContact CD2-CG2 3.86Å; L101-T115 HydrophobicContact CG-CG2 4.43Å; L101-L232 HydrophobicContact CD2-CD2 4.23Å
102	G	84	Confident	84.3	Confident	60 Å²	60	50.1 Å²	50.1	62%	0.619	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	71	3.9	-170.4	0	0	0	0	0	114.5	D100	D100-G102 VanDerWaalsContact C-N 3.33Å; D100-G102 PolarHBondContact OD1-N 3.29Å
103	F	89.6	Confident	85.3	Confident	5 Å²	5	46.6 Å²	46.6	2%	0.022	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	165.9	175.5	58.7	-94.3	0	0	0	109.8	L101 F105 N113 I175 Y230 T269 E271	L101-F103 HydrophobicContact CB-CD1 4.05Å; L101-F103 HydrophobicContact CB-CD2 4.32Å; L101-F103 HydrophobicContact CB-CE1 3.86Å; L101-F103 HydrophobicContact CB-CE2 4.15Å; L101-F103 HydrophobicContact CB-CG 4.28Å; L101-F103 HydrophobicContact CB-CZ 3.92Å; L101-F103 HydrophobicContact CD1-CE2 4.13Å; L101-F103 HydrophobicContact CD1-CZ 4.37Å; L101-F103 HydrophobicContact CD2-CE1 4.33Å; L101-F103 HydrophobicContact CD2-CE2 4.45Å; L101-F103 HydrophobicContact CD2-CZ 3.88Å; L101-F103 HydrophobicContact CG-CE2 4.48Å; L101-F103 HydrophobicContact CG-CZ 4.27Å; L101-F103 WeakPolarHBondContact O-CD1 3.41Å; L101-F103 VanDerWaalsContact O-CE1 3.24Å; L101-F103 WeakPolarHBondContact O-CE1 3.42Å; L101-F103 PolarHBondContact O-N 2.79Å; F103-F105 HydrophobicContact CE2-CB 4.36Å; F103-N113 WeakPolarHBondContact O-CA 3.33Å; F103-I175 HydrophobicContact CE1-CG2 3.88Å; F103-Y230 HydrophobicContact CB-CD1 3.77Å; F103-Y230 HydrophobicContact CB-CD2 3.83Å; F103-Y230 HydrophobicContact CB-CE1 3.98Å; F103-Y230 HydrophobicContact CB-CE2 4.03Å; F103-Y230 HydrophobicContact CB-CG 3.7Å; F103-Y230 AromaticContact CD1-CD1 3.5Å; F103-Y230 HydrophobicContact CD1-CD1 3.5Å; F103-Y230 VanDerWaalsContact CD1-CD1 3.5Å; F103-Y230 HydrophobicContact CD1-CE1 4.36Å; F103-Y230 AromaticContact CD1-CG 3.61Å; F103-Y230 HydrophobicContact CD1-CG 3.61Å; F103-Y230 HydrophobicContact CD2-CD2 4.45Å; F103-Y230 HydrophobicContact CD2-CG 4.11Å; F103-Y230 HydrophobicContact CE1-CD1 4.29Å; F103-Y230 HydrophobicContact CE1-CG 4.26Å; F103-Y230 AromaticContact CG-CD1 3.77Å; F103-Y230 HydrophobicContact CG-CD1 3.77Å; F103-Y230 HydrophobicContact CG-CD2 4.03Å; F103-Y230 HydrophobicContact CG-CE1 4.47Å; F103-Y230 AromaticContact CG-CG 3.53Å; F103-Y230 HydrophobicContact CG-CG 3.53Å; F103-T269 HydrophobicContact CD2-CG2 3.58Å; F103-T269 HydrophobicContact CE2-CG2 3.67Å; F103-E271 HydrophobicContact CB-CG 4.39Å
104	Y	91.3	Very high	86.6	Confident	94 Å²	94	46 Å²	46	37%	0.369	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	129.6	176.1	-69.5	-73.8	0	0	0	113	P106 R111 F112 N113 E271	Y104-P106 WeakPolarHBondContact O-CD 3.44Å; Y104-R111 HydrophobicContact CD1-CG 3.63Å; Y104-R111 HydrophobicContact CE1-CG 4.5Å; Y104-R111 HydrophobicContact CG-CG 3.91Å; Y104-R111 VanDerWaalsContact CG-CZ 3.46Å; Y104-F112 CarbonylContact C-O 3.46Å; Y104-F112 WeakPolarHBondContact CA-O 3.12Å; Y104-N113 HydrophobicContact CD1-CB 4.01Å; Y104-N113 HydrophobicContact CE1-CB 4Å; Y104-E271 WeakPolarHBondContact CD2-OE1 3Å; Y104-E271 PolarHBondContact N-OE1 2.88Å; Y104-E271 WeakPolarHBondContact O-CA 3.48Å
105	F	92.9	Very high	88	Confident	1 Å²	1	41.7 Å²	41.7	0%	0.004	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	104.3	173.9	-171.5	-98.4	0	0	0	110.9	L101 F103 F107 F112 F125 I151 L267 T269 V276	L101-F105 HydrophobicContact CD1-CB 4.13Å; F103-F105 HydrophobicContact CE2-CB 4.36Å; F105-F107 HydrophobicContact CD1-CB 4.04Å; F105-F107 HydrophobicContact CE1-CB 4.01Å; F105-F107 HydrophobicContact CE1-CD2 4.19Å; F105-F107 HydrophobicContact CE1-CG 4.47Å; F105-F107 PolarHBondContact O-N 3.48Å; F105-F112 PolarHBondContact N-O 2.66Å; F105-F112 PolarHBondContact O-N 3.4Å; F105-F112 VanDerWaalsContact O-N 3.09Å; F105-F125 HydrophobicContact CD1-CE1 4.13Å; F105-F125 AromaticContact CD1-CZ 3.68Å; F105-F125 HydrophobicContact CD1-CZ 3.68Å; F105-F125 HydrophobicContact CE1-CE2 4.48Å; F105-F125 AromaticContact CE1-CZ 3.89Å; F105-F125 HydrophobicContact CE1-CZ 3.89Å; F105-I151 HydrophobicContact CE1-CD1 4.33Å; F105-L267 HydrophobicContact CD2-CB 4.36Å; F105-L267 HydrophobicContact CE2-CB 3.77Å; F105-L267 HydrophobicContact CZ-CB 4.07Å; F105-L267 HydrophobicContact CZ-CD2 4.18Å; F105-T269 HydrophobicContact CD2-CG2 3.99Å; F105-V276 HydrophobicContact CZ-CG2 4.12Å
106	P	91.9	Very high	88.9	Confident	2 Å²	2	36.6 Å²	36.6	1%	0.013	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	127.4	169.1	-26.6	32.7	0	0	0	112.9	Y104 F110 E271 S274	Y104-P106 WeakPolarHBondContact O-CD 3.44Å; P106-F110 WeakPolarHBondContact CA-O 3.44Å; P106-E271 WeakPolarHBondContact CG-O 3.45Å; P106-S274 WeakPolarHBondContact CD-OG 3.41Å; P106-S274 WeakPolarHBondContact O-CB 3.42Å; P106-S274 PolarHBondContact O-OG 3.32Å
107	F	90.8	Very high	89.5	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	120.1	177.4	-179.3	-104.5	0	0	0	109.8	F105 G109 F110 F112 F125 S149 I151 F307 N308 F345	F105-F107 HydrophobicContact CD1-CB 4.04Å; F105-F107 HydrophobicContact CE1-CB 4.01Å; F105-F107 HydrophobicContact CE1-CD2 4.19Å; F105-F107 HydrophobicContact CE1-CG 4.47Å; F105-F107 PolarHBondContact O-N 3.48Å; F107-G109 PolarHBondContact O-N 3.45Å; F107-G109 VanDerWaalsContact O-N 3.15Å; F107-F110 PolarHBondContact N-O 3.47Å; F107-F110 WeakPolarHBondContact O-CA 3.29Å; F107-F110 WeakPolarHBondContact O-CB 3.41Å; F107-F110 WeakPolarHBondContact O-CD2 3.5Å; F107-F110 PolarHBondContact O-N 3.34Å; F107-F112 HydrophobicContact CB-CD2 4.12Å; F107-F112 HydrophobicContact CB-CE2 4.12Å; F107-F112 HydrophobicContact CD1-CE2 4.05Å; F107-F125 HydrophobicContact CB-CE2 4.46Å; F107-F125 AromaticContact CD1-CD2 4Å; F107-F125 HydrophobicContact CD1-CD2 4Å; F107-F125 HydrophobicContact CD1-CE2 4.04Å; F107-F125 HydrophobicContact CD2-CE2 4.34Å; F107-F125 HydrophobicContact CE1-CD2 4.21Å; F107-F125 HydrophobicContact CE1-CE2 4.3Å; F107-F125 HydrophobicContact CG-CD2 4.43Å; F107-F125 HydrophobicContact CG-CE2 4.05Å; F107-S149 WeakPolarHBondContact CD1-OG 3.41Å; F107-S149 WeakPolarHBondContact CE1-OG 3.37Å; F107-I151 HydrophobicContact CD2-CD1 4.1Å; F107-I151 HydrophobicContact CD2-CG1 4.28Å; F107-I151 HydrophobicContact CE2-CD1 3.78Å; F107-I151 HydrophobicContact CE2-CG1 3.49Å; F107-I151 VanDerWaalsContact CE2-CG1 3.49Å; F107-I151 HydrophobicContact CZ-CD1 4.41Å; F107-I151 HydrophobicContact CZ-CG1 3.71Å; F107-F307 HydrophobicContact CE2-CB 4.21Å; F107-F307 HydrophobicContact CZ-CB 4.07Å; F107-N308 VanDerWaalsContact CE1-O 3.26Å; F107-N308 WeakPolarHBondContact CE1-O 2.98Å; F107-F345 AromaticContact CD2-CD1 3.49Å; F107-F345 HydrophobicContact CD2-CD1 3.49Å; F107-F345 VanDerWaalsContact CD2-CD1 3.49Å; F107-F345 AromaticContact CD2-CE1 3.61Å; F107-F345 HydrophobicContact CD2-CE1 3.61Å; F107-F345 HydrophobicContact CD2-CG 4.03Å; F107-F345 HydrophobicContact CD2-CZ 4.23Å; F107-F345 AromaticContact CE2-CD1 3.65Å; F107-F345 HydrophobicContact CE2-CD1 3.65Å; F107-F345 AromaticContact CE2-CE1 3.21Å; F107-F345 HydrophobicContact CE2-CE1 3.21Å; F107-F345 HydrophobicContact CE2-CG 4.44Å; F107-F345 AromaticContact CE2-CZ 3.71Å; F107-F345 HydrophobicContact CE2-CZ 3.71Å; F107-F345 HydrophobicContact CZ-CE1 4.2Å
108	Y	84.1	Confident	89.8	Confident	20 Å²	20	33.3 Å²	33.3	8%	0.078	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	31.1	-177.4	-85.8	-85.9	0	0	0	115.2	F110 F307 G309 T313 Y316 F345 V349 R883	Y108-F110 PolarHBondContact O-N 2.83Å; Y108-F307 HydrophobicContact CE2-CB 3.95Å; Y108-F307 PolarHBondContact OH-O 2.79Å; Y108-G309 VanDerWaalsContact CD2-CA 3.43Å; Y108-T313 HydrophobicContact CD1-CG2 3.9Å; Y108-T313 HydrophobicContact CG-CG2 4.44Å; Y108-Y316 WeakPolarHBondContact OH-CB 3.5Å; Y108-Y316 PolarHBondContact OH-N 2.81Å; Y108-F345 HydrophobicContact CD2-CD1 4.36Å; Y108-F345 HydrophobicContact CD2-CE1 4.25Å; Y108-F345 HydrophobicContact CE2-CD1 4.47Å; Y108-F345 AromaticContact CE2-CE1 3.98Å; Y108-F345 HydrophobicContact CE2-CE1 3.98Å; Y108-V349 HydrophobicContact CD2-CG2 4.19Å; Y108-V349 HydrophobicContact CE1-CG2 3.84Å; Y108-V349 HydrophobicContact CE2-CG2 3.46Å; Y108-V349 VanDerWaalsContact CE2-CG2 3.46Å; Y108-V349 WeakPolarHBondContact OH-CG2 3.27Å; Y108-R883 PolarHBondContact O-NE 2.79Å
109	G	82.6	Confident	89.9	Confident	1 Å²	1	27.8 Å²	27.8	1%	0.01	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.2	-0.2	-174.9	0	0	0	0	0	114.3	F107 M346 E347 R883 W885	F107-G109 PolarHBondContact O-N 3.45Å; F107-G109 VanDerWaalsContact O-N 3.15Å; G109-M346 PolarHBondContact N-O 3.47Å; G109-E347 WeakPolarHBondContact CA-OE2 3.23Å; G109-R883 WeakPolarHBondContact O-CA 3.49Å; G109-W885 PolarHBondContact O-NE1 3Å
110	F	88	Confident	90	Very high	10 Å²	10	27.3 Å²	27.3	4%	0.044	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	166.3	164.3	-56.3	-89.8	0	0	0	110.1	P106 F107 Y108 F112 G309 T313 F882 R883	P106-F110 WeakPolarHBondContact CA-O 3.44Å; F107-F110 PolarHBondContact N-O 3.47Å; F107-F110 WeakPolarHBondContact O-CA 3.29Å; F107-F110 WeakPolarHBondContact O-CB 3.41Å; F107-F110 WeakPolarHBondContact O-CD2 3.5Å; F107-F110 PolarHBondContact O-N 3.34Å; Y108-F110 PolarHBondContact O-N 2.83Å; F110-F112 HydrophobicContact CB-CD2 4.2Å; F110-F112 HydrophobicContact CB-CE1 4.4Å; F110-F112 HydrophobicContact CB-CE2 3.48Å; F110-F112 VanDerWaalsContact CB-CE2 3.48Å; F110-F112 HydrophobicContact CB-CZ 3.61Å; F110-F112 HydrophobicContact CD1-CZ 4.49Å; F110-F112 HydrophobicContact CD2-CZ 4.48Å; F110-F112 HydrophobicContact CG-CE2 4.2Å; F110-F112 AromaticContact CG-CZ 3.98Å; F110-F112 HydrophobicContact CG-CZ 3.98Å; F110-G309 WeakPolarHBondContact CE2-O 3.18Å; F110-T313 HydrophobicContact CE2-CG2 4.29Å; F110-F882 HydrophobicContact CD1-CB 3.67Å; F110-F882 HydrophobicContact CE1-CB 3.72Å; F110-R883 HydrophobicContact CD1-CG 3.96Å; F110-R883 HydrophobicContact CD2-CG 4.14Å; F110-R883 HydrophobicContact CE1-CG 3.68Å; F110-R883 HydrophobicContact CE2-CG 3.85Å; F110-R883 HydrophobicContact CG-CG 4.18Å; F110-R883 HydrophobicContact CZ-CG 3.61Å
111	R	88.1	Confident	90.2	Very high	92 Å²	92	23 Å²	23	35%	0.347	11%	0.114	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	102.5	178.4	-166.2	-175.6	-173.8	-165.4	-2.9	108.7	Y104 W885	Y104-R111 HydrophobicContact CD1-CG 3.63Å; Y104-R111 HydrophobicContact CE1-CG 4.5Å; Y104-R111 HydrophobicContact CG-CG 3.91Å; Y104-R111 VanDerWaalsContact CG-CZ 3.46Å; R111-W885 HydrophobicContact CB-CD2 4.3Å; R111-W885 HydrophobicContact CB-CG 4.34Å
112	F	91.8	Very high	90.4	Very high	25 Å²	25	23.2 Å²	23.2	11%	0.11	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	145.1	-176.6	-61.5	-73	0	0	0	111.3	Y104 F105 F107 F110 F125	Y104-F112 CarbonylContact C-O 3.46Å; Y104-F112 WeakPolarHBondContact CA-O 3.12Å; F105-F112 PolarHBondContact N-O 2.66Å; F105-F112 PolarHBondContact O-N 3.4Å; F105-F112 VanDerWaalsContact O-N 3.09Å; F107-F112 HydrophobicContact CB-CD2 4.12Å; F107-F112 HydrophobicContact CB-CE2 4.12Å; F107-F112 HydrophobicContact CD1-CE2 4.05Å; F110-F112 HydrophobicContact CB-CD2 4.2Å; F110-F112 HydrophobicContact CB-CE1 4.4Å; F110-F112 HydrophobicContact CB-CE2 3.48Å; F110-F112 VanDerWaalsContact CB-CE2 3.48Å; F110-F112 HydrophobicContact CB-CZ 3.61Å; F110-F112 HydrophobicContact CD1-CZ 4.49Å; F110-F112 HydrophobicContact CD2-CZ 4.48Å; F110-F112 HydrophobicContact CG-CE2 4.2Å; F110-F112 AromaticContact CG-CZ 3.98Å; F110-F112 HydrophobicContact CG-CZ 3.98Å; F112-F125 HydrophobicContact CB-CD1 3.63Å; F112-F125 HydrophobicContact CB-CE1 4.12Å; F112-F125 HydrophobicContact CB-CG 4.32Å; F112-F125 HydrophobicContact CD1-CB 3.65Å; F112-F125 HydrophobicContact CD1-CD1 4.27Å; F112-F125 HydrophobicContact CD1-CG 4.22Å; F112-F125 HydrophobicContact CD2-CB 3.79Å; F112-F125 AromaticContact CD2-CD1 3.69Å; F112-F125 HydrophobicContact CD2-CD1 3.69Å; F112-F125 HydrophobicContact CD2-CD2 4.06Å; F112-F125 HydrophobicContact CD2-CE1 4.27Å; F112-F125 AromaticContact CD2-CG 3.57Å; F112-F125 HydrophobicContact CD2-CG 3.57Å; F112-F125 HydrophobicContact CE1-CB 3.59Å; F112-F125 HydrophobicContact CE1-CG 4.44Å; F112-F125 HydrophobicContact CE2-CB 3.73Å; F112-F125 HydrophobicContact CE2-CD1 4.42Å; F112-F125 HydrophobicContact CE2-CD2 4.1Å; F112-F125 AromaticContact CE2-CG 3.84Å; F112-F125 HydrophobicContact CE2-CG 3.84Å; F112-F125 HydrophobicContact CG-CB 3.74Å; F112-F125 AromaticContact CG-CD1 3.6Å; F112-F125 HydrophobicContact CG-CD1 3.6Å; F112-F125 HydrophobicContact CG-CE1 4.38Å; F112-F125 AromaticContact CG-CG 3.78Å; F112-F125 HydrophobicContact CG-CG 3.78Å; F112-F125 HydrophobicContact CZ-CB 3.63Å; F112-F125 HydrophobicContact CZ-CG 4.27Å
113	N	91.3	Very high	90.9	Very high	68 Å²	68	20.3 Å²	20.3	36%	0.364	9%	0.086	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	4.6	172.9	63.4	-29.4	0	0	0	112.7	D100 L101 F103 Y104	D100-N113 VanDerWaalsContact OD1-O 3.08Å; L101-N113 WeakPolarHBondContact CB-O 3.37Å; L101-N113 PolarHBondContact N-O 3.41Å; F103-N113 WeakPolarHBondContact O-CA 3.33Å; Y104-N113 HydrophobicContact CD1-CB 4.01Å; Y104-N113 HydrophobicContact CE1-CB 4Å
114	Y	93.7	Very high	91.1	Very high	83 Å²	83	20.1 Å²	20.1	33%	0.325	9%	0.085	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	165.3	176.8	65	-92	0	0	0	109.7	I99 F116 F125	I99-Y114 CarbonylContact O-C 3.57Å; I99-Y114 VanDerWaalsContact O-CA 3.23Å; I99-Y114 WeakPolarHBondContact O-CA 3.4Å; I99-Y114 WeakPolarHBondContact O-CB 3.32Å; Y114-F116 AromaticContact CD2-CE2 3.88Å; Y114-F116 HydrophobicContact CD2-CE2 3.88Å; Y114-F116 HydrophobicContact CD2-CZ 4.05Å; Y114-F116 AromaticContact CE2-CE2 3.62Å; Y114-F116 HydrophobicContact CE2-CE2 3.62Å; Y114-F116 AromaticContact CE2-CZ 3.97Å; Y114-F116 HydrophobicContact CE2-CZ 3.97Å; Y114-F125 WeakPolarHBondContact CE2-O 3.32Å; Y114-F125 WeakPolarHBondContact O-CD1 3.5Å; Y114-F125 PolarHBondContact OH-O 2.96Å
115	T	94.6	Very high	91.2	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	167.4	173.9	-163	0	0	0	0	112	I99 L101 V123 A124 L232	I99-T115 HydrophobicContact CB-CG2 4.19Å; I99-T115 PolarHBondContact N-O 3.13Å; I99-T115 PolarHBondContact O-N 2.78Å; L101-T115 HydrophobicContact CD2-CG2 3.86Å; L101-T115 HydrophobicContact CG-CG2 4.43Å; T115-V123 HydrophobicContact CG2-CG1 4.17Å; T115-V123 WeakPolarHBondContact OG1-CG1 3.3Å; T115-A124 CarbonylContact C-O 3.34Å; T115-A124 WeakPolarHBondContact CA-O 3.33Å; T115-A124 PolarHBondContact OG1-O 2.95Å; T115-L232 HydrophobicContact CG2-CD2 3.83Å
116	F	93.4	Very high	91	Very high	3 Å²	3	17.2 Å²	17.2	1%	0.013	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	124.9	177.5	-54.7	-79.5	0	0	0	109.2	D96 V97 Q98 Y114 Y118 V123 A124 Y127	D96-F116 HydrophobicContact CB-CB 4.2Å; D96-F116 VanDerWaalsContact OD2-CD1 3.22Å; D96-F116 WeakPolarHBondContact OD2-CD1 3.33Å; V97-F116 WeakPolarHBondContact O-CA 3.3Å; Q98-F116 HydrophobicContact CB-CD1 3.68Å; Q98-F116 HydrophobicContact CB-CE1 3.64Å; Q98-F116 HydrophobicContact CG-CD1 3.87Å; Q98-F116 HydrophobicContact CG-CE1 3.45Å; Q98-F116 VanDerWaalsContact CG-CE1 3.45Å; Q98-F116 HydrophobicContact CG-CZ 4.3Å; Y114-F116 AromaticContact CD2-CE2 3.88Å; Y114-F116 HydrophobicContact CD2-CE2 3.88Å; Y114-F116 HydrophobicContact CD2-CZ 4.05Å; Y114-F116 AromaticContact CE2-CE2 3.62Å; Y114-F116 HydrophobicContact CE2-CE2 3.62Å; Y114-F116 AromaticContact CE2-CZ 3.97Å; Y114-F116 HydrophobicContact CE2-CZ 3.97Å; F116-Y118 HydrophobicContact CB-CD2 4.34Å; F116-Y118 HydrophobicContact CB-CE2 3.7Å; F116-V123 CarbonylContact O-C 3.59Å; F116-V123 VanDerWaalsContact O-CA 3.31Å; F116-V123 WeakPolarHBondContact O-CA 3.23Å; F116-A124 HydrophobicContact CB-CB 4.39Å; F116-A124 HydrophobicContact CD2-CB 4.46Å; F116-A124 PolarHBondContact N-O 2.87Å; F116-A124 PolarHBondContact O-N 2.98Å; F116-Y127 HydrophobicContact CD1-CE1 4.1Å; F116-Y127 HydrophobicContact CE1-CD1 4.46Å; F116-Y127 AromaticContact CE1-CE1 3.57Å; F116-Y127 HydrophobicContact CE1-CE1 3.57Å; F116-Y127 HydrophobicContact CE1-CE2 4.29Å; F116-Y127 AromaticContact CE1-CZ 3.48Å; F116-Y127 VanDerWaalsContact CE1-CZ 3.48Å; F116-Y127 VanDerWaalsContact CE1-OH 3.32Å; F116-Y127 WeakPolarHBondContact CE1-OH 3.36Å; F116-Y127 HydrophobicContact CE2-CE1 4.35Å; F116-Y127 HydrophobicContact CE2-CE2 4.37Å; F116-Y127 HydrophobicContact CZ-CD1 4.35Å; F116-Y127 HydrophobicContact CZ-CD2 4.34Å; F116-Y127 AromaticContact CZ-CE1 3.72Å; F116-Y127 HydrophobicContact CZ-CE1 3.72Å; F116-Y127 AromaticContact CZ-CE2 3.71Å; F116-Y127 HydrophobicContact CZ-CE2 3.71Å; F116-Y127 AromaticContact CZ-CZ 3.37Å; F116-Y127 WeakPolarHBondContact CZ-OH 3.21Å
117	I	92.9	Very high	90.7	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	130.2	175.8	-57.7	-177.8	0	0	0	109.5	I89 D96 V97 I99 V123 V171 Y173 V234 W236	I89-I117 HydrophobicContact CD1-CB 3.96Å; I89-I117 HydrophobicContact CD1-CG2 3.55Å; D96-I117 WeakPolarHBondContact CA-O 3.26Å; V97-I117 PolarHBondContact N-O 2.77Å; V97-I117 VanDerWaalsContact N-O 3.15Å; V97-I117 PolarHBondContact O-N 2.92Å; I99-I117 HydrophobicContact CD1-CD1 3.22Å; I99-I117 HydrophobicContact CD1-CG1 3.64Å; I117-V123 HydrophobicContact CG1-CG2 4.28Å; I117-V171 HydrophobicContact CG2-CG1 4.29Å; I117-Y173 VanDerWaalsContact CD1-CB 3.49Å; I117-Y173 HydrophobicContact CD1-CD1 4.07Å; I117-Y173 HydrophobicContact CD1-CD2 4.13Å; I117-Y173 HydrophobicContact CD1-CG 3.63Å; I117-V234 HydrophobicContact CD1-CB 4.48Å; I117-V234 HydrophobicContact CD1-CG1 4.07Å; I117-V234 HydrophobicContact CD1-CG2 3.59Å; I117-V234 HydrophobicContact CG1-CG2 4.28Å; I117-V234 HydrophobicContact CG2-CG1 3.75Å; I117-W236 HydrophobicContact CG2-CZ2 4.37Å
118	Y	91.8	Very high	90.1	Very high	13 Å²	13	24.6 Å²	24.6	5%	0.051	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	133.4	177.3	-74.2	-92.5	0	0	0	111.3	D96 F116 E120 G121 F122 A124 P128 W236	D96-Y118 HydrophobicContact CB-CD1 4.28Å; D96-Y118 HydrophobicContact CB-CD2 4.46Å; D96-Y118 HydrophobicContact CB-CE1 3.74Å; D96-Y118 HydrophobicContact CB-CE2 3.96Å; F116-Y118 HydrophobicContact CB-CD2 4.34Å; F116-Y118 HydrophobicContact CB-CE2 3.7Å; Y118-E120 PolarHBondContact O-N 3.33Å; Y118-E120 VanDerWaalsContact O-N 3.12Å; Y118-G121 PolarHBondContact O-N 2.91Å; Y118-F122 VanDerWaalsContact CB-CE1 3.43Å; Y118-F122 HydrophobicContact CD1-CE1 4.1Å; Y118-F122 HydrophobicContact CD1-CE2 4.4Å; Y118-F122 AromaticContact CD1-CZ 3.68Å; Y118-F122 HydrophobicContact CD1-CZ 3.68Å; Y118-F122 AromaticContact CD2-CD2 3.94Å; Y118-F122 HydrophobicContact CD2-CD2 3.94Å; Y118-F122 HydrophobicContact CD2-CE1 4.15Å; Y118-F122 AromaticContact CD2-CE2 3.28Å; Y118-F122 HydrophobicContact CD2-CE2 3.28Å; Y118-F122 AromaticContact CD2-CZ 3.42Å; Y118-F122 HydrophobicContact CD2-CZ 3.42Å; Y118-F122 VanDerWaalsContact CD2-CZ 3.42Å; Y118-F122 HydrophobicContact CE1-CZ 4.18Å; Y118-F122 AromaticContact CE2-CE2 3.73Å; Y118-F122 HydrophobicContact CE2-CE2 3.73Å; Y118-F122 AromaticContact CE2-CZ 3.94Å; Y118-F122 HydrophobicContact CE2-CZ 3.94Å; Y118-F122 HydrophobicContact CG-CD1 4.32Å; Y118-F122 HydrophobicContact CG-CD2 4.36Å; Y118-F122 AromaticContact CG-CE1 3.64Å; Y118-F122 HydrophobicContact CG-CE1 3.64Å; Y118-F122 AromaticContact CG-CE2 3.67Å; Y118-F122 HydrophobicContact CG-CE2 3.67Å; Y118-F122 AromaticContact CG-CZ 3.26Å; Y118-F122 HydrophobicContact CG-CZ 3.26Å; Y118-F122 PolarHBondContact N-O 3.39Å; Y118-A124 HydrophobicContact CD2-CB 4.42Å; Y118-A124 HydrophobicContact CE2-CB 3.97Å; Y118-P128 HydrophobicContact CE1-CG 4.44Å; Y118-P128 HydrophobicContact CE2-CG 4.17Å; Y118-P128 VanDerWaalsContact OH-CD 3.29Å; Y118-P128 WeakPolarHBondContact OH-CD 3.41Å; Y118-W236 PolarHBondContact O-NE1 2.9Å
119	P	90.5	Very high	89.7	Confident	1 Å²	1	28.6 Å²	28.6	1%	0.006	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-23.4	171.7	-26.4	35.5	0	0	0	114.2	G121 F160 V171 W236 M239	P119-G121 PolarHBondContact O-N 3.24Å; P119-G121 VanDerWaalsContact O-N 3.08Å; P119-F160 HydrophobicContact CB-CE2 3.74Å; P119-F160 HydrophobicContact CB-CZ 4.12Å; P119-F160 HydrophobicContact CG-CE2 4.03Å; P119-F160 HydrophobicContact CG-CZ 4.31Å; P119-V171 HydrophobicContact CB-CG2 4.5Å; P119-W236 PolarHBondContact O-NE1 3.46Å; P119-M239 HydrophobicContact CB-CE 4.45Å
120	E	89.4	Confident	89	Confident	1 Å²	1	34 Å²	34	1%	0.005	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	15.3	179.9	-62	79.7	-166.2	0	0	114.3	W94 Y118 F122 L155 C156 Q158	W94-E120 HydrophobicContact CD2-CG 4.37Å; W94-E120 HydrophobicContact CE3-CG 4.2Å; W94-E120 HydrophobicContact CH2-CB 4.33Å; W94-E120 HydrophobicContact CH2-CG 3.64Å; W94-E120 HydrophobicContact CZ2-CG 3.81Å; W94-E120 HydrophobicContact CZ3-CB 4.44Å; W94-E120 HydrophobicContact CZ3-CG 3.86Å; W94-E120 PolarHBondContact N-OE1 3.31Å; Y118-E120 PolarHBondContact O-N 3.33Å; Y118-E120 VanDerWaalsContact O-N 3.12Å; E120-F122 HydrophobicContact CB-CD1 4.17Å; E120-F122 HydrophobicContact CB-CE1 3.98Å; E120-L155 WeakPolarHBondContact O-CA 3.17Å; E120-C156 WeakPolarHBondContact CB-O 3.5Å; E120-C156 PolarHBondContact O-N 2.97Å; E120-Q158 PolarHBondContact O-NE2 3Å
121	G	92.1	Very high	88	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.4	24.9	166.1	0	0	0	0	0	115.4	Y118 P119 A153 F154 Y263	Y118-G121 PolarHBondContact O-N 2.91Å; P119-G121 PolarHBondContact O-N 3.24Å; P119-G121 VanDerWaalsContact O-N 3.08Å; G121-A153 PolarHBondContact O-N 2.64Å; G121-F154 PolarHBondContact O-N 2.9Å; G121-Y263 WeakPolarHBondContact CA-OH 3.19Å
122	F	93.8	Very high	87.2	Confident	8 Å²	8	38.7 Å²	38.7	4%	0.035	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	162.6	179.6	74.2	-82.6	0	0	0	112.8	Y118 E120 A124 P128 F150 I151 A152 L155	Y118-F122 VanDerWaalsContact CB-CE1 3.43Å; Y118-F122 HydrophobicContact CD1-CE1 4.1Å; Y118-F122 HydrophobicContact CD1-CE2 4.4Å; Y118-F122 AromaticContact CD1-CZ 3.68Å; Y118-F122 HydrophobicContact CD1-CZ 3.68Å; Y118-F122 AromaticContact CD2-CD2 3.94Å; Y118-F122 HydrophobicContact CD2-CD2 3.94Å; Y118-F122 HydrophobicContact CD2-CE1 4.15Å; Y118-F122 AromaticContact CD2-CE2 3.28Å; Y118-F122 HydrophobicContact CD2-CE2 3.28Å; Y118-F122 AromaticContact CD2-CZ 3.42Å; Y118-F122 HydrophobicContact CD2-CZ 3.42Å; Y118-F122 VanDerWaalsContact CD2-CZ 3.42Å; Y118-F122 HydrophobicContact CE1-CZ 4.18Å; Y118-F122 AromaticContact CE2-CE2 3.73Å; Y118-F122 HydrophobicContact CE2-CE2 3.73Å; Y118-F122 AromaticContact CE2-CZ 3.94Å; Y118-F122 HydrophobicContact CE2-CZ 3.94Å; Y118-F122 HydrophobicContact CG-CD1 4.32Å; Y118-F122 HydrophobicContact CG-CD2 4.36Å; Y118-F122 AromaticContact CG-CE1 3.64Å; Y118-F122 HydrophobicContact CG-CE1 3.64Å; Y118-F122 AromaticContact CG-CE2 3.67Å; Y118-F122 HydrophobicContact CG-CE2 3.67Å; Y118-F122 AromaticContact CG-CZ 3.26Å; Y118-F122 HydrophobicContact CG-CZ 3.26Å; Y118-F122 PolarHBondContact N-O 3.39Å; E120-F122 HydrophobicContact CB-CD1 4.17Å; E120-F122 HydrophobicContact CB-CE1 3.98Å; F122-A124 HydrophobicContact CD2-CB 4.35Å; F122-A124 HydrophobicContact CE2-CB 4.11Å; F122-P128 HydrophobicContact CE2-CG 3.97Å; F122-P128 HydrophobicContact CZ-CG 4Å; F122-F150 HydrophobicContact CD2-CB 4.18Å; F122-F150 HydrophobicContact CD2-CD2 4.36Å; F122-F150 HydrophobicContact CD2-CG 4.42Å; F122-I151 VanDerWaalsContact CA-O 3.3Å; F122-I151 WeakPolarHBondContact CA-O 3.43Å; F122-I151 WeakPolarHBondContact CB-O 3.11Å; F122-A152 HydrophobicContact CB-CB 4.25Å; F122-L155 HydrophobicContact CD1-CD1 3.36Å; F122-L155 HydrophobicContact CE1-CD1 3.65Å; F122-L155 HydrophobicContact CG-CD1 4.07Å
123	V	94.9	Very high	86.3	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	129.6	176.6	172.9	0	0	0	0	108.1	T115 F116 I117 F150 I151 V234 W236 M265 L267	T115-V123 HydrophobicContact CG2-CG1 4.17Å; T115-V123 WeakPolarHBondContact OG1-CG1 3.3Å; F116-V123 CarbonylContact O-C 3.59Å; F116-V123 VanDerWaalsContact O-CA 3.31Å; F116-V123 WeakPolarHBondContact O-CA 3.23Å; I117-V123 HydrophobicContact CG1-CG2 4.28Å; V123-F150 CarbonylContact O-C 3.48Å; V123-F150 VanDerWaalsContact O-CA 3.29Å; V123-F150 WeakPolarHBondContact O-CA 3.41Å; V123-F150 WeakPolarHBondContact O-CB 3.27Å; V123-I151 PolarHBondContact N-O 3.2Å; V123-I151 PolarHBondContact O-N 3.01Å; V123-V234 HydrophobicContact CG2-CG2 4.26Å; V123-W236 HydrophobicContact CG2-CH2 4.1Å; V123-W236 HydrophobicContact CG2-CZ2 4.49Å; V123-M265 HydrophobicContact CB-CE 4.5Å; V123-M265 HydrophobicContact CB-SD 4.05Å; V123-M265 HydrophobicContact CG2-CE 4.3Å; V123-M265 HydrophobicContact CG2-SD 3.8Å; V123-L267 HydrophobicContact CG1-CD1 4.36Å
124	A	94.2	Very high	85.7	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	153.1	-176.5	0	0	0	0	0	112.6	T115 F116 Y118 F122 S126 F150	T115-A124 CarbonylContact C-O 3.34Å; T115-A124 WeakPolarHBondContact CA-O 3.33Å; T115-A124 PolarHBondContact OG1-O 2.95Å; F116-A124 HydrophobicContact CB-CB 4.39Å; F116-A124 HydrophobicContact CD2-CB 4.46Å; F116-A124 PolarHBondContact N-O 2.87Å; F116-A124 PolarHBondContact O-N 2.98Å; Y118-A124 HydrophobicContact CD2-CB 4.42Å; Y118-A124 HydrophobicContact CE2-CB 3.97Å; F122-A124 HydrophobicContact CD2-CB 4.35Å; F122-A124 HydrophobicContact CE2-CB 4.11Å; A124-S126 WeakPolarHBondContact CB-O 3.44Å; A124-F150 HydrophobicContact CB-CB 3.91Å
125	F	92.7	Very high	85.1	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.18	C	C	.	.	S	Bend	trans	-111.1	1.6	172.5	-59.4	-73.2	0	0	0	112.1	F105 F107 F112 Y114 S149 I151 L267	F105-F125 HydrophobicContact CD1-CE1 4.13Å; F105-F125 AromaticContact CD1-CZ 3.68Å; F105-F125 HydrophobicContact CD1-CZ 3.68Å; F105-F125 HydrophobicContact CE1-CE2 4.48Å; F105-F125 AromaticContact CE1-CZ 3.89Å; F105-F125 HydrophobicContact CE1-CZ 3.89Å; F107-F125 HydrophobicContact CB-CE2 4.46Å; F107-F125 AromaticContact CD1-CD2 4Å; F107-F125 HydrophobicContact CD1-CD2 4Å; F107-F125 HydrophobicContact CD1-CE2 4.04Å; F107-F125 HydrophobicContact CD2-CE2 4.34Å; F107-F125 HydrophobicContact CE1-CD2 4.21Å; F107-F125 HydrophobicContact CE1-CE2 4.3Å; F107-F125 HydrophobicContact CG-CD2 4.43Å; F107-F125 HydrophobicContact CG-CE2 4.05Å; F112-F125 HydrophobicContact CB-CD1 3.63Å; F112-F125 HydrophobicContact CB-CE1 4.12Å; F112-F125 HydrophobicContact CB-CG 4.32Å; F112-F125 HydrophobicContact CD1-CB 3.65Å; F112-F125 HydrophobicContact CD1-CD1 4.27Å; F112-F125 HydrophobicContact CD1-CG 4.22Å; F112-F125 HydrophobicContact CD2-CB 3.79Å; F112-F125 AromaticContact CD2-CD1 3.69Å; F112-F125 HydrophobicContact CD2-CD1 3.69Å; F112-F125 HydrophobicContact CD2-CD2 4.06Å; F112-F125 HydrophobicContact CD2-CE1 4.27Å; F112-F125 AromaticContact CD2-CG 3.57Å; F112-F125 HydrophobicContact CD2-CG 3.57Å; F112-F125 HydrophobicContact CE1-CB 3.59Å; F112-F125 HydrophobicContact CE1-CG 4.44Å; F112-F125 HydrophobicContact CE2-CB 3.73Å; F112-F125 HydrophobicContact CE2-CD1 4.42Å; F112-F125 HydrophobicContact CE2-CD2 4.1Å; F112-F125 AromaticContact CE2-CG 3.84Å; F112-F125 HydrophobicContact CE2-CG 3.84Å; F112-F125 HydrophobicContact CG-CB 3.74Å; F112-F125 AromaticContact CG-CD1 3.6Å; F112-F125 HydrophobicContact CG-CD1 3.6Å; F112-F125 HydrophobicContact CG-CE1 4.38Å; F112-F125 AromaticContact CG-CG 3.78Å; F112-F125 HydrophobicContact CG-CG 3.78Å; F112-F125 HydrophobicContact CZ-CB 3.63Å; F112-F125 HydrophobicContact CZ-CG 4.27Å; Y114-F125 WeakPolarHBondContact CE2-O 3.32Å; Y114-F125 WeakPolarHBondContact O-CD1 3.5Å; Y114-F125 PolarHBondContact OH-O 2.96Å; F125-S149 PolarHBondContact N-O 3.3Å; F125-I151 HydrophobicContact CE2-CD1 3.69Å; F125-I151 HydrophobicContact CE2-CG1 3.97Å; F125-I151 HydrophobicContact CZ-CD1 4Å; F125-L267 HydrophobicContact CZ-CD1 4.18Å
126	S	89.1	Confident	84.6	Confident	34 Å²	34	39.9 Å²	39.9	24%	0.238	21%	0.206	C	C	.	.	S	Bend	trans	-154.9	150.2	173.6	61.5	0	0	0	0	108.5	A124 P128 P148 S149	A124-S126 WeakPolarHBondContact CB-O 3.44Å; S126-P128 WeakPolarHBondContact O-CD 3.42Å; S126-P148 VanDerWaalsContact OG-CA 3.25Å; S126-P148 WeakPolarHBondContact OG-CA 3.39Å; S126-S149 PolarHBondContact OG-N 2.99Å
127	Y	84	Confident	84.2	Confident	122 Å²	122	42 Å²	42	48%	0.478	22%	0.215	S	C	.	.	P	Polyproline II helix	trans	-58.2	120.6	178.5	-65.9	-73.8	0	0	0	112.1	F116	F116-Y127 HydrophobicContact CD1-CE1 4.1Å; F116-Y127 HydrophobicContact CE1-CD1 4.46Å; F116-Y127 AromaticContact CE1-CE1 3.57Å; F116-Y127 HydrophobicContact CE1-CE1 3.57Å; F116-Y127 HydrophobicContact CE1-CE2 4.29Å; F116-Y127 AromaticContact CE1-CZ 3.48Å; F116-Y127 VanDerWaalsContact CE1-CZ 3.48Å; F116-Y127 VanDerWaalsContact CE1-OH 3.32Å; F116-Y127 WeakPolarHBondContact CE1-OH 3.36Å; F116-Y127 HydrophobicContact CE2-CE1 4.35Å; F116-Y127 HydrophobicContact CE2-CE2 4.37Å; F116-Y127 HydrophobicContact CZ-CD1 4.35Å; F116-Y127 HydrophobicContact CZ-CD2 4.34Å; F116-Y127 AromaticContact CZ-CE1 3.72Å; F116-Y127 HydrophobicContact CZ-CE1 3.72Å; F116-Y127 AromaticContact CZ-CE2 3.71Å; F116-Y127 HydrophobicContact CZ-CE2 3.71Å; F116-Y127 AromaticContact CZ-CZ 3.37Å; F116-Y127 WeakPolarHBondContact CZ-OH 3.21Å
128	P	79.7	Confident	83.8	Confident	35 Å²	35	44.1 Å²	44.1	23%	0.227	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-79.9	139.8	170.2	34.2	-33.1	0	0	0	110.3	Y118 F122 S126 P148	Y118-P128 HydrophobicContact CE1-CG 4.44Å; Y118-P128 HydrophobicContact CE2-CG 4.17Å; Y118-P128 VanDerWaalsContact OH-CD 3.29Å; Y118-P128 WeakPolarHBondContact OH-CD 3.41Å; F122-P128 HydrophobicContact CE2-CG 3.97Å; F122-P128 HydrophobicContact CZ-CG 4Å; S126-P128 WeakPolarHBondContact O-CD 3.42Å; P128-P148 HydrophobicContact CB-CB 4.05Å; P128-P148 HydrophobicContact CB-CG 3.96Å
129	D	76.2	Confident	83.5	Confident	104 Å²	104	44.9 Å²	44.9	56%	0.556	23%	0.234	S	C	*	.	P	Polyproline II helix	trans	-77.3	129.6	164.8	-65.5	-41.3	0	0	0	108.3	V131	D129-V131 PolarHBondContact O-N 3.48Å
130	Y	67.1	Low	83	Confident	115 Å²	115	49.4 Å²	49.4	45%	0.451	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-67.4	124.2	177.2	175	-104	0	0	0	110.5	W94 Q132	W94-Y130 HydrophobicContact CD2-CD2 4.04Å; W94-Y130 HydrophobicContact CD2-CE2 4.18Å; W94-Y130 AromaticContact CE2-CE2 3.66Å; W94-Y130 AromaticContact CE3-CD2 3.74Å; W94-Y130 HydrophobicContact CE3-CD2 3.74Å; W94-Y130 HydrophobicContact CE3-CE2 4.2Å; W94-Y130 AromaticContact CH2-CD2 3.44Å; W94-Y130 HydrophobicContact CH2-CD2 3.44Å; W94-Y130 VanDerWaalsContact CH2-CD2 3.44Å; W94-Y130 AromaticContact CH2-CE2 3.22Å; W94-Y130 HydrophobicContact CH2-CE2 3.22Å; W94-Y130 AromaticContact CZ2-CD2 3.76Å; W94-Y130 HydrophobicContact CZ2-CD2 3.76Å; W94-Y130 AromaticContact CZ2-CE2 3.18Å; W94-Y130 HydrophobicContact CZ2-CE2 3.18Å; W94-Y130 AromaticContact CZ3-CD2 3.43Å; W94-Y130 HydrophobicContact CZ3-CD2 3.43Å; W94-Y130 VanDerWaalsContact CZ3-CD2 3.43Å; W94-Y130 AromaticContact CZ3-CE2 3.76Å; W94-Y130 HydrophobicContact CZ3-CE2 3.76Å; Y130-Q132 HydrophobicContact CE1-CG 4.07Å; Y130-Q132 PolarHBondContact OH-NE2 3.28Å
131	V	66.8	Low	82.5	Confident	83 Å²	83	53.6 Å²	53.6	50%	0.503	29%	0.285	S	S	.	.			trans	-131.9	136.4	175.3	-173.9	0	0	0	0	108	D129 Y135	D129-V131 PolarHBondContact O-N 3.48Å; V131-Y135 WeakPolarHBondContact O-CE1 3.09Å
132	Q	71.1	Confident	81.7	Confident	117 Å²	117	55.6 Å²	55.6	55%	0.547	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-70.9	147.6	173.7	-70.4	-144.6	-24.5	0	0	111.4	Y130	Y130-Q132 HydrophobicContact CE1-CG 4.07Å; Y130-Q132 PolarHBondContact OH-NE2 3.28Å
133	P	72.7	Confident	80.5	Confident	13 Å²	13	57.1 Å²	57.1	8%	0.084	30%	0.303	C	S	.	.	S	Bend	trans	-53.3	144.9	173.6	-17.7	23.4	0	0	0	112.2	Y135 A291	P133-Y135 HydrophobicContact CB-CD2 4.35Å; P133-Y135 HydrophobicContact CB-CE2 4.02Å; P133-Y135 HydrophobicContact CG-CD2 4.45Å; P133-Y135 HydrophobicContact CG-CE1 4.45Å; P133-Y135 HydrophobicContact CG-CE2 3.65Å; P133-A291 HydrophobicContact CB-CB 4.18Å; P133-A291 HydrophobicContact CG-CB 4.09Å
134	P	78.4	Confident	79.4	Confident	72 Å²	72	62.8 Å²	62.8	47%	0.468	33%	0.334	S	S	.	.	S	Bend	cis	-82.2	134	10	31.7	-34.6	0	0	0	113.8	Q301	P134-Q301 HydrophobicContact CB-CB 4.1Å
135	Y	81.6	Confident	78.7	Confident	28 Å²	28	67.2 Å²	67.2	11%	0.11	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-82.5	141	171.3	-39.8	-84.6	0	0	0	110.4	V131 P133 F137 L155 Q301 I304	V131-Y135 WeakPolarHBondContact O-CE1 3.09Å; P133-Y135 HydrophobicContact CB-CD2 4.35Å; P133-Y135 HydrophobicContact CB-CE2 4.02Å; P133-Y135 HydrophobicContact CG-CD2 4.45Å; P133-Y135 HydrophobicContact CG-CE1 4.45Å; P133-Y135 HydrophobicContact CG-CE2 3.65Å; Y135-F137 HydrophobicContact CG-CE2 4.27Å; Y135-L155 HydrophobicContact CD2-CD2 4.4Å; Y135-L155 HydrophobicContact CE2-CG 4.38Å; Y135-Q301 VanDerWaalsContact CD2-OE1 3.28Å; Y135-Q301 PolarHBondContact O-NE2 2.74Å; Y135-I304 HydrophobicContact CD2-CD1 3.59Å; Y135-I304 HydrophobicContact CD2-CG1 4.26Å; Y135-I304 HydrophobicContact CG-CD1 4.01Å
136	T	84.4	Confident	78.2	Confident	89 Å²	89	75.8 Å²	75.8	55%	0.546	39%	0.387	S	S	.	.			trans	-126.9	119.5	175.1	-55.5	0	0	0	0	108.6	P140	T136-P140 HydrophobicContact CG2-CG 4.24Å
137	F	85.7	Confident	78.1	Confident	46 Å²	46	74.3 Å²	74.3	20%	0.202	38%	0.376	C	S	.	.	S	Bend	trans	-124	141.7	179	-62.8	-67.3	0	0	0	111.3	Y135 P148 F150 L155 I304 F315	Y135-F137 HydrophobicContact CG-CE2 4.27Å; F137-P148 HydrophobicContact CE1-CG 4.5Å; F137-F150 AromaticContact CD1-CE1 3.79Å; F137-F150 HydrophobicContact CD1-CE1 3.79Å; F137-F150 AromaticContact CD1-CZ 3.94Å; F137-F150 HydrophobicContact CD1-CZ 3.94Å; F137-F150 HydrophobicContact CD2-CE1 4.39Å; F137-F150 AromaticContact CD2-CZ 3.7Å; F137-F150 HydrophobicContact CD2-CZ 3.7Å; F137-F150 AromaticContact CE1-CE1 3.48Å; F137-F150 HydrophobicContact CE1-CE1 3.48Å; F137-F150 VanDerWaalsContact CE1-CE1 3.48Å; F137-F150 AromaticContact CE1-CZ 3.73Å; F137-F150 HydrophobicContact CE1-CZ 3.73Å; F137-F150 HydrophobicContact CE2-CE1 4.11Å; F137-F150 HydrophobicContact CE2-CE2 4.42Å; F137-F150 AromaticContact CE2-CZ 3.46Å; F137-F150 HydrophobicContact CE2-CZ 3.46Å; F137-F150 VanDerWaalsContact CE2-CZ 3.46Å; F137-F150 HydrophobicContact CG-CE1 4.24Å; F137-F150 AromaticContact CG-CZ 3.93Å; F137-F150 HydrophobicContact CG-CZ 3.93Å; F137-F150 AromaticContact CZ-CE1 3.64Å; F137-F150 HydrophobicContact CZ-CE1 3.64Å; F137-F150 AromaticContact CZ-CZ 3.47Å; F137-F150 HydrophobicContact CZ-CZ 3.47Å; F137-F150 VanDerWaalsContact CZ-CZ 3.47Å; F137-L155 HydrophobicContact CE2-CD2 4.01Å; F137-L155 HydrophobicContact CZ-CD2 4.47Å; F137-I304 HydrophobicContact CD2-CD1 4.36Å; F137-I304 HydrophobicContact CE2-CD1 4.3Å; F137-F315 HydrophobicContact CB-CB 3.79Å; F137-F315 HydrophobicContact CB-CD1 4.2Å; F137-F315 HydrophobicContact CB-CD2 3.7Å; F137-F315 HydrophobicContact CB-CE2 4.34Å; F137-F315 HydrophobicContact CB-CG 3.63Å; F137-F315 HydrophobicContact CG-CD2 4.42Å; F137-F315 WeakPolarHBondContact O-CB 3.45Å
138	P	83.9	Confident	78.5	Confident	45 Å²	45	69.1 Å²	69.1	29%	0.292	36%	0.357	S	S	.	.	S	Bend	cis	-58.2	157.4	-11.1	-20.3	33.9	0	0	0	111.8	P140 G314 F315	P138-P140 VanDerWaalsContact O-CD 3.3Å; P138-P140 WeakPolarHBondContact O-CD 3.22Å; P138-G314 VanDerWaalsContact CG-CA 3.46Å; P138-F315 HydrophobicContact CG-CB 4.32Å
139	N	85.7	Confident	79.1	Confident	30 Å²	30	67.7 Å²	67.7	16%	0.16	35%	0.348	C	S	.	.			trans	-55.7	116.9	177.8	-174.4	-17.5	0	0	0	109.5	L141 W142 Q145 R146 D147	N139-L141 PolarHBondContact O-N 3.45Å; N139-L141 VanDerWaalsContact O-N 3.15Å; N139-L141 WeakPolarHBondContact OD1-CB 3.39Å; N139-L141 PolarHBondContact OD1-N 3.16Å; N139-W142 WeakPolarHBondContact O-CB 3.32Å; N139-W142 PolarHBondContact O-N 2.95Å; N139-Q145 VanDerWaalsContact ND2-CB 3.27Å; N139-Q145 WeakPolarHBondContact ND2-CB 3.45Å; N139-Q145 PolarHBondContact ND2-OE1 2.88Å; N139-R146 PolarHBondContact ND2-O 3.46Å; N139-D147 HydrophobicContact CB-CB 3.96Å; N139-D147 PolarHBondContact N-OD1 2.78Å
140	P	79.6	Confident	79.9	Confident	96 Å²	96	62.9 Å²	62.9	62%	0.623	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-15.9	-176.1	27.7	-35.6	0	0	0	113.2	T136 P138	T136-P140 HydrophobicContact CG2-CG 4.24Å; P138-P140 VanDerWaalsContact O-CD 3.3Å; P138-P140 WeakPolarHBondContact O-CD 3.22Å
141	L	79	Confident	81.2	Confident	88 Å²	88	57.4 Å²	57.4	46%	0.461	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	6.1	177	-59.1	176.1	0	0	0	112.7	N139 D144 Q145	N139-L141 PolarHBondContact O-N 3.45Å; N139-L141 VanDerWaalsContact O-N 3.15Å; N139-L141 WeakPolarHBondContact OD1-CB 3.39Å; N139-L141 PolarHBondContact OD1-N 3.16Å; L141-D144 WeakPolarHBondContact O-CA 3.36Å; L141-D144 WeakPolarHBondContact O-CB 3.42Å; L141-D144 PolarHBondContact O-N 3.23Å; L141-Q145 HydrophobicContact CB-CB 4.08Å; L141-Q145 HydrophobicContact CB-CG 4.05Å; L141-Q145 HydrophobicContact CD1-CG 4.32Å; L141-Q145 PolarHBondContact O-N 3.1Å
142	W	75.5	Confident	82.6	Confident	42 Å²	42	53.5 Å²	53.5	16%	0.159	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	136.1	172.9	-177.5	84.7	0	0	0	110.7	N139 Q145 D147 N311 P1060	N139-W142 WeakPolarHBondContact O-CB 3.32Å; N139-W142 PolarHBondContact O-N 2.95Å; W142-Q145 WeakPolarHBondContact CA-O 3.44Å; W142-D147 HydrophobicContact CB-CB 4.19Å; W142-D147 HydrophobicContact CG-CB 4.11Å; W142-N311 VanDerWaalsContact CE2-C 3.42Å; W142-N311 VanDerWaalsContact CE2-O 3.3Å; W142-N311 HydrophobicContact CZ2-CB 4.46Å; W142-N311 VanDerWaalsContact CZ2-O 3.28Å; W142-N311 WeakPolarHBondContact CZ2-O 3.35Å; W142-P1060 HydrophobicContact CZ3-CG 4.04Å
143	P	69	Low	83.7	Confident	41 Å²	41	48 Å²	48	27%	0.266	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	cis	-91.9	-2.8	8.5	36.4	-36.4	0	0	0	116.2	Q145 Y1059	P143-Q145 PolarHBondContact O-N 3.36Å; P143-Y1059 HydrophobicContact CG-CD1 3.48Å; P143-Y1059 VanDerWaalsContact CG-CD1 3.48Å; P143-Y1059 HydrophobicContact CG-CE1 3.76Å
144	D	71.9	Confident	84.7	Confident	119 Å²	119	47.3 Å²	47.3	64%	0.636	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-34.9	-178.9	-59.2	-35.7	0	0	0	111.7	L141	L141-D144 WeakPolarHBondContact O-CA 3.36Å; L141-D144 WeakPolarHBondContact O-CB 3.42Å; L141-D144 PolarHBondContact O-N 3.23Å
145	Q	78.7	Confident	85.4	Confident	93 Å²	93	44.4 Å²	44.4	44%	0.435	23%	0.228	S	C	.	.	S	Bend	trans	-113.3	148.2	167	-65.6	-173.9	-0.1	0	0	111.4	N139 L141 W142 P143	N139-Q145 VanDerWaalsContact ND2-CB 3.27Å; N139-Q145 WeakPolarHBondContact ND2-CB 3.45Å; N139-Q145 PolarHBondContact ND2-OE1 2.88Å; L141-Q145 HydrophobicContact CB-CB 4.08Å; L141-Q145 HydrophobicContact CB-CG 4.05Å; L141-Q145 HydrophobicContact CD1-CG 4.32Å; L141-Q145 PolarHBondContact O-N 3.1Å; W142-Q145 WeakPolarHBondContact CA-O 3.44Å; P143-Q145 PolarHBondContact O-N 3.36Å
146	R	82.9	Confident	85.7	Confident	180 Å²	180	43.3 Å²	43.3	68%	0.679	22%	0.224	S	C	*	.			trans	-65.5	140.4	179.1	-65.9	-176.8	178.4	-157.9	1.2	110.1	N139	N139-R146 PolarHBondContact ND2-O 3.46Å
147	D	87.4	Confident	85.9	Confident	3 Å²	3	40.4 Å²	40.4	2%	0.016	21%	0.205	C	C	.	.			trans	-112.1	104.7	170.7	178.8	50.5	0	0	0	107.9	N139 W142 N308 G310 N311 G312	N139-D147 HydrophobicContact CB-CB 3.96Å; N139-D147 PolarHBondContact N-OD1 2.78Å; W142-D147 HydrophobicContact CB-CB 4.19Å; W142-D147 HydrophobicContact CG-CB 4.11Å; D147-N308 PolarHBondContact OD1-ND2 2.71Å; D147-G310 CarbonylContact O-C 3.46Å; D147-G310 VanDerWaalsContact O-CA 3.26Å; D147-G310 WeakPolarHBondContact O-CA 3.36Å; D147-G310 VanDerWaalsContact OD2-CA 3.27Å; D147-G310 WeakPolarHBondContact OD2-CA 3.32Å; D147-N311 PolarHBondContact O-N 3.2Å; D147-N311 PolarHBondContact OD2-N 2.89Å; D147-G312 WeakPolarHBondContact OD2-CA 3.44Å; D147-G312 PolarHBondContact OD2-N 3.12Å
148	P	91	Very high	86.1	Confident	12 Å²	12	38.6 Å²	38.6	8%	0.078	20%	0.197	C	C	.	.			trans	-76.3	144.6	-172.5	29.4	-34.1	0	0	0	112.1	S126 P128 F137 F150 N308	S126-P148 VanDerWaalsContact OG-CA 3.25Å; S126-P148 WeakPolarHBondContact OG-CA 3.39Å; P128-P148 HydrophobicContact CB-CB 4.05Å; P128-P148 HydrophobicContact CB-CG 3.96Å; F137-P148 HydrophobicContact CE1-CG 4.5Å; P148-F150 HydrophobicContact CB-CD1 4.29Å; P148-F150 HydrophobicContact CG-CD1 4.02Å; P148-F150 HydrophobicContact CG-CE1 4.14Å; P148-F150 WeakPolarHBondContact O-CD1 3.48Å; P148-N308 PolarHBondContact O-ND2 2.72Å
149	S	92.1	Very high	86.3	Confident	6 Å²	6	38.1 Å²	38.1	4%	0.042	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	120.9	169.6	177.5	0	0	0	0	109.9	F107 F125 S126 N308	F107-S149 WeakPolarHBondContact CD1-OG 3.41Å; F107-S149 WeakPolarHBondContact CE1-OG 3.37Å; F125-S149 PolarHBondContact N-O 3.3Å; S126-S149 PolarHBondContact OG-N 2.99Å; S149-N308 WeakPolarHBondContact CA-O 3.43Å
150	F	93.9	Very high	86.5	Confident	3 Å²	3	37.4 Å²	37.4	1%	0.013	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	165.2	-179.8	68.8	-90.3	0	0	0	113.2	F122 V123 A124 F137 P148 A152 L155 N308	F122-F150 HydrophobicContact CD2-CB 4.18Å; F122-F150 HydrophobicContact CD2-CD2 4.36Å; F122-F150 HydrophobicContact CD2-CG 4.42Å; V123-F150 CarbonylContact O-C 3.48Å; V123-F150 VanDerWaalsContact O-CA 3.29Å; V123-F150 WeakPolarHBondContact O-CA 3.41Å; V123-F150 WeakPolarHBondContact O-CB 3.27Å; A124-F150 HydrophobicContact CB-CB 3.91Å; F137-F150 AromaticContact CD1-CE1 3.79Å; F137-F150 HydrophobicContact CD1-CE1 3.79Å; F137-F150 AromaticContact CD1-CZ 3.94Å; F137-F150 HydrophobicContact CD1-CZ 3.94Å; F137-F150 HydrophobicContact CD2-CE1 4.39Å; F137-F150 AromaticContact CD2-CZ 3.7Å; F137-F150 HydrophobicContact CD2-CZ 3.7Å; F137-F150 AromaticContact CE1-CE1 3.48Å; F137-F150 HydrophobicContact CE1-CE1 3.48Å; F137-F150 VanDerWaalsContact CE1-CE1 3.48Å; F137-F150 AromaticContact CE1-CZ 3.73Å; F137-F150 HydrophobicContact CE1-CZ 3.73Å; F137-F150 HydrophobicContact CE2-CE1 4.11Å; F137-F150 HydrophobicContact CE2-CE2 4.42Å; F137-F150 AromaticContact CE2-CZ 3.46Å; F137-F150 HydrophobicContact CE2-CZ 3.46Å; F137-F150 VanDerWaalsContact CE2-CZ 3.46Å; F137-F150 HydrophobicContact CG-CE1 4.24Å; F137-F150 AromaticContact CG-CZ 3.93Å; F137-F150 HydrophobicContact CG-CZ 3.93Å; F137-F150 AromaticContact CZ-CE1 3.64Å; F137-F150 HydrophobicContact CZ-CE1 3.64Å; F137-F150 AromaticContact CZ-CZ 3.47Å; F137-F150 HydrophobicContact CZ-CZ 3.47Å; F137-F150 VanDerWaalsContact CZ-CZ 3.47Å; P148-F150 HydrophobicContact CB-CD1 4.29Å; P148-F150 HydrophobicContact CG-CD1 4.02Å; P148-F150 HydrophobicContact CG-CE1 4.14Å; P148-F150 WeakPolarHBondContact O-CD1 3.48Å; F150-A152 HydrophobicContact CD2-CB 4.11Å; F150-A152 HydrophobicContact CE2-CB 3.84Å; F150-L155 HydrophobicContact CE2-CD2 4.25Å; F150-L155 HydrophobicContact CZ-CD2 4.5Å; F150-N308 HydrophobicContact CD1-CB 3.8Å; F150-N308 HydrophobicContact CE1-CB 3.4Å; F150-N308 VanDerWaalsContact CE1-CB 3.4Å; F150-N308 HydrophobicContact CE2-CB 4.34Å; F150-N308 HydrophobicContact CG-CB 4.4Å; F150-N308 HydrophobicContact CZ-CB 3.69Å; F150-N308 PolarHBondContact N-O 3.24Å; F150-N308 PolarHBondContact O-N 2.79Å
151	I	95	Very high	86.9	Confident	0 Å²	0	33 Å²	33	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	113.4	175.2	-60.5	173.1	0	0	0	107.1	F105 F107 F122 V123 F125 M265 L267 V276 F307	F105-I151 HydrophobicContact CE1-CD1 4.33Å; F107-I151 HydrophobicContact CD2-CD1 4.1Å; F107-I151 HydrophobicContact CD2-CG1 4.28Å; F107-I151 HydrophobicContact CE2-CD1 3.78Å; F107-I151 HydrophobicContact CE2-CG1 3.49Å; F107-I151 VanDerWaalsContact CE2-CG1 3.49Å; F107-I151 HydrophobicContact CZ-CD1 4.41Å; F107-I151 HydrophobicContact CZ-CG1 3.71Å; F122-I151 VanDerWaalsContact CA-O 3.3Å; F122-I151 WeakPolarHBondContact CA-O 3.43Å; F122-I151 WeakPolarHBondContact CB-O 3.11Å; V123-I151 PolarHBondContact N-O 3.2Å; V123-I151 PolarHBondContact O-N 3.01Å; F125-I151 HydrophobicContact CE2-CD1 3.69Å; F125-I151 HydrophobicContact CE2-CG1 3.97Å; F125-I151 HydrophobicContact CZ-CD1 4Å; I151-M265 HydrophobicContact CB-CE 4.09Å; I151-M265 HydrophobicContact CB-SD 4.25Å; I151-M265 HydrophobicContact CG2-CE 3.42Å; I151-M265 VanDerWaalsContact CG2-CE 3.42Å; I151-M265 HydrophobicContact CG2-SD 3.71Å; I151-M265 WeakPolarHBondContact O-CE 3.13Å; I151-L267 HydrophobicContact CD1-CD1 4.43Å; I151-L267 HydrophobicContact CD1-CD2 3.55Å; I151-V276 HydrophobicContact CD1-CG2 3.91Å; I151-V276 HydrophobicContact CG2-CG1 4.07Å; I151-F307 HydrophobicContact CB-CD1 4.28Å; I151-F307 HydrophobicContact CG1-CD1 4.3Å; I151-F307 HydrophobicContact CG2-CD1 3.64Å; I151-F307 HydrophobicContact CG2-CE1 3.66Å
152	A	94.5	Very high	87.2	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	108.2	175.9	0	0	0	0	0	110.3	F122 F150 L155 I305 G306	F122-A152 HydrophobicContact CB-CB 4.25Å; F150-A152 HydrophobicContact CD2-CB 4.11Å; F150-A152 HydrophobicContact CE2-CB 3.84Å; A152-L155 HydrophobicContact CB-CB 3.63Å; A152-I305 WeakPolarHBondContact O-CA 3.03Å; A152-G306 PolarHBondContact N-O 2.86Å; A152-G306 PolarHBondContact O-N 3.11Å; A152-G306 VanDerWaalsContact O-N 3.11Å
153	A	95.3	Very high	87.5	Confident	1 Å²	1	30 Å²	30	1%	0.008	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	-42	167.9	0	0	0	0	0	110.6	G121 W236 Y263 M265 L278 Y280 I305	G121-A153 PolarHBondContact O-N 2.64Å; A153-W236 HydrophobicContact CB-CZ3 4.17Å; A153-Y263 HydrophobicContact CB-CD2 3.88Å; A153-Y263 HydrophobicContact CB-CE2 3.83Å; A153-M265 HydrophobicContact CB-CB 4.48Å; A153-M265 HydrophobicContact CB-CE 3.49Å; A153-M265 VanDerWaalsContact CB-CE 3.49Å; A153-L278 HydrophobicContact CB-CD2 3.92Å; A153-Y280 WeakPolarHBondContact O-CE1 3.35Å; A153-Y280 PolarHBondContact O-OH 2.87Å; A153-I305 VanDerWaalsContact O-CG1 3.28Å; A153-I305 WeakPolarHBondContact O-CG1 3.4Å
154	F	94.2	Very high	88	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	68.9	177.5	-160.9	-97	0	0	0	109.6	G121 C156 Q158 N261 Y263 Y280 I283 Y285 A303 I305	G121-F154 PolarHBondContact O-N 2.9Å; F154-C156 VanDerWaalsContact CD1-SG 3.55Å; F154-C156 VanDerWaalsContact CE1-SG 3.51Å; F154-C156 PolarHBondContact O-N 3.5Å; F154-Q158 PolarHBondContact O-NE2 3.37Å; F154-N261 WeakPolarHBondContact CE1-ND2 3.45Å; F154-N261 VanDerWaalsContact CZ-ND2 3.3Å; F154-N261 WeakPolarHBondContact CZ-ND2 3.42Å; F154-Y263 HydrophobicContact CB-CD1 4.38Å; F154-Y263 HydrophobicContact CB-CD2 4.31Å; F154-Y263 HydrophobicContact CB-CE1 3.85Å; F154-Y263 HydrophobicContact CB-CE2 3.74Å; F154-Y263 HydrophobicContact CD1-CE1 4.35Å; F154-Y263 HydrophobicContact CG-CE1 4.24Å; F154-Y280 HydrophobicContact CD2-CE1 4.46Å; F154-I283 HydrophobicContact CD2-CD1 4.19Å; F154-I283 HydrophobicContact CE2-CD1 4.09Å; F154-I283 HydrophobicContact CE2-CG2 3.82Å; F154-I283 HydrophobicContact CZ-CG2 3.99Å; F154-Y285 HydrophobicContact CE1-CD2 4.35Å; F154-Y285 AromaticContact CE1-CE2 3.86Å; F154-Y285 HydrophobicContact CE1-CE2 3.86Å; F154-Y285 WeakPolarHBondContact CZ-O 3.27Å; F154-A303 HydrophobicContact CD1-CB 3.86Å; F154-A303 HydrophobicContact CD2-CB 4.13Å; F154-A303 HydrophobicContact CE1-CB 3.56Å; F154-A303 HydrophobicContact CE2-CB 3.87Å; F154-A303 HydrophobicContact CG-CB 4.13Å; F154-A303 HydrophobicContact CZ-CB 3.58Å; F154-I305 HydrophobicContact CD2-CD1 4.2Å; F154-I305 HydrophobicContact CD2-CG1 4.29Å
155	L	91.9	Very high	88.3	Confident	10 Å²	10	34.1 Å²	34.1	5%	0.052	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	105.9	-177.6	173.3	66.4	0	0	0	110.2	E120 F122 Y135 F137 F150 A152 A303 I304	E120-L155 WeakPolarHBondContact O-CA 3.17Å; F122-L155 HydrophobicContact CD1-CD1 3.36Å; F122-L155 HydrophobicContact CE1-CD1 3.65Å; F122-L155 HydrophobicContact CG-CD1 4.07Å; Y135-L155 HydrophobicContact CD2-CD2 4.4Å; Y135-L155 HydrophobicContact CE2-CG 4.38Å; F137-L155 HydrophobicContact CE2-CD2 4.01Å; F137-L155 HydrophobicContact CZ-CD2 4.47Å; F150-L155 HydrophobicContact CE2-CD2 4.25Å; F150-L155 HydrophobicContact CZ-CD2 4.5Å; A152-L155 HydrophobicContact CB-CB 3.63Å; L155-A303 VanDerWaalsContact O-CA 3.28Å; L155-A303 WeakPolarHBondContact O-CA 3.44Å; L155-I304 HydrophobicContact CB-CB 4.22Å; L155-I304 WeakPolarHBondContact CB-O 3.43Å; L155-I304 HydrophobicContact CD2-CB 4.35Å; L155-I304 PolarHBondContact N-O 3.19Å; L155-I304 PolarHBondContact O-N 3.07Å
156	C	88.4	Confident	88.5	Confident	5 Å²	5	33.4 Å²	33.4	3%	0.034	18%	0.175	C	C	.	.	S	Bend	trans	-156.7	164.5	167.2	67.2	0	0	0	0	109.8	E120 F154 Q158 A303	E120-C156 WeakPolarHBondContact CB-O 3.5Å; E120-C156 PolarHBondContact O-N 2.97Å; F154-C156 VanDerWaalsContact CD1-SG 3.55Å; F154-C156 VanDerWaalsContact CE1-SG 3.51Å; F154-C156 PolarHBondContact O-N 3.5Å; C156-Q158 WeakPolarHBondContact O-CG 3.29Å; C156-Q158 PolarHBondContact O-N 3.48Å; C156-Q158 VanDerWaalsContact O-N 3.17Å; C156-Q158 WeakPolarHBondContact SG-CG 3.09Å; C156-A303 HydrophobicContact CB-CB 3.81Å
157	D	88.4	Confident	88.6	Confident	29 Å²	29	27.8 Å²	27.8	16%	0.155	15%	0.153	C	C	.	.			trans	-66.2	114.3	172.2	178.7	17.2	0	0	0	109	G242 S288 S290	D157-G242 PolarHBondContact O-N 3.16Å; D157-S288 WeakPolarHBondContact O-CB 3.24Å; D157-S290 VanDerWaalsContact CB-OG 3.24Å; D157-S290 WeakPolarHBondContact CB-OG 3.29Å; D157-S290 WeakPolarHBondContact OD2-CB 3.12Å; D157-S290 PolarHBondContact OD2-OG 3.39Å
158	Q	89	Confident	88.5	Confident	7 Å²	7	28.9 Å²	28.9	3%	0.033	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	152.9	-174.2	-68.5	177.2	77.7	0	0	110.2	E120 F154 C156 M239 G240 Y263 Y285	E120-Q158 PolarHBondContact O-NE2 3Å; F154-Q158 PolarHBondContact O-NE2 3.37Å; C156-Q158 WeakPolarHBondContact O-CG 3.29Å; C156-Q158 PolarHBondContact O-N 3.48Å; C156-Q158 VanDerWaalsContact O-N 3.17Å; C156-Q158 WeakPolarHBondContact SG-CG 3.09Å; Q158-M239 HydrophobicContact CB-CE 4.21Å; Q158-G240 CarbonylContact C-O 3.57Å; Q158-G240 VanDerWaalsContact CA-O 3.27Å; Q158-G240 WeakPolarHBondContact CA-O 2.8Å; Q158-Y263 VanDerWaalsContact CD-OH 3.31Å; Q158-Y263 PolarHBondContact NE2-OH 3.01Å; Q158-Y263 PolarHBondContact OE1-OH 3.35Å; Q158-Y285 WeakPolarHBondContact CG-OH 2.95Å; Q158-Y285 PolarHBondContact OE1-OH 3.2Å
159	S	88.4	Confident	88.5	Confident	35 Å²	35	28.3 Å²	28.3	25%	0.245	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	147.2	178.3	63.1	0	0	0	0	111.8	G240 Y241 Q244	S159-G240 PolarHBondContact N-O 3.46Å; S159-G240 PolarHBondContact O-N 3.41Å; S159-Y241 PolarHBondContact OG-O 2.86Å; S159-Q244 PolarHBondContact OG-NE2 3.45Å
160	F	90	Very high	88.6	Confident	16 Å²	16	28.9 Å²	28.9	7%	0.07	16%	0.157	C	C	.	.			trans	-71.2	127.6	172.4	-70.2	-97.1	0	0	0	110.1	D91 P119 H162 S169 V171 M239	D91-F160 HydrophobicContact CB-CB 4.39Å; D91-F160 HydrophobicContact CB-CD1 4.4Å; D91-F160 HydrophobicContact CB-CD2 4.02Å; D91-F160 HydrophobicContact CB-CE2 4.36Å; D91-F160 HydrophobicContact CB-CG 4.03Å; D91-F160 WeakPolarHBondContact OD1-CD2 2.95Å; P119-F160 HydrophobicContact CB-CE2 3.74Å; P119-F160 HydrophobicContact CB-CZ 4.12Å; P119-F160 HydrophobicContact CG-CE2 4.03Å; P119-F160 HydrophobicContact CG-CZ 4.31Å; F160-H162 PolarHBondContact O-ND1 3.19Å; F160-H162 VanDerWaalsContact O-ND1 3.16Å; F160-S169 WeakPolarHBondContact CD1-O 3.42Å; F160-V171 HydrophobicContact CE1-CG2 3.91Å; F160-V171 HydrophobicContact CZ-CB 4.4Å; F160-V171 HydrophobicContact CZ-CG2 3.73Å; F160-M239 HydrophobicContact CD1-CE 4.38Å; F160-M239 HydrophobicContact CD1-SD 4.25Å; F160-M239 HydrophobicContact CD2-CE 4.14Å; F160-M239 HydrophobicContact CE1-CE 4.41Å; F160-M239 HydrophobicContact CE1-SD 4.27Å; F160-M239 HydrophobicContact CE2-CE 4.18Å; F160-M239 HydrophobicContact CG-CE 4.26Å; F160-M239 HydrophobicContact CZ-CE 4.32Å
161	V	88.7	Confident	88.6	Confident	3 Å²	3	28.7 Å²	28.7	2%	0.018	16%	0.157	C	C	.	.			trans	-83.1	130	178.9	-175	0	0	0	0	109.4	L168 S169 R238 Q244 I256 Q260	V161-L168 HydrophobicContact CG1-CD1 4.37Å; V161-L168 PolarHBondContact O-N 2.83Å; V161-S169 WeakPolarHBondContact CA-OG 3.3Å; V161-S169 WeakPolarHBondContact CB-OG 3.45Å; V161-S169 VanDerWaalsContact CG2-OG 3.26Å; V161-S169 WeakPolarHBondContact CG2-OG 3.14Å; V161-S169 PolarHBondContact N-OG 3.23Å; V161-S169 PolarHBondContact O-N 2.87Å; V161-R238 WeakPolarHBondContact CG2-O 3.36Å; V161-Q244 VanDerWaalsContact CG2-NE2 3.27Å; V161-I256 HydrophobicContact CG1-CG2 3.75Å; V161-Q260 HydrophobicContact CG2-CG 4.18Å
162	H	85.7	Confident	88.6	Confident	62 Å²	62	28.9 Å²	28.9	29%	0.287	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	144.9	174.5	-64.4	75.3	0	0	0	109.8	D91 F160 T166 R167	D91-H162 IonicContact OD2-CE1 3.64Å; D91-H162 PolarHBondContact OD2-CE1 3.4Å; D91-H162 IonicContact OD2-NE2 3.94Å; F160-H162 PolarHBondContact O-ND1 3.19Å; F160-H162 VanDerWaalsContact O-ND1 3.16Å; H162-T166 WeakPolarHBondContact CA-O 3.37Å; H162-R167 WeakPolarHBondContact NE2-CB 2.89Å; H162-R167 WeakPolarHBondContact NE2-CG 3.24Å
163	V	81.8	Confident	88.7	Confident	5 Å²	5	30.3 Å²	30.3	3%	0.03	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	108.2	167.6	-175.9	0	0	0	0	107.6	E165 T166 L168 F247 L250 I256	V163-E165 PolarHBondContact O-N 3.2Å; V163-T166 PolarHBondContact N-O 3.39Å; V163-T166 PolarHBondContact O-N 3.34Å; V163-T166 VanDerWaalsContact O-N 3.09Å; V163-L168 HydrophobicContact CG2-CD1 3.54Å; V163-L168 HydrophobicContact CG2-CG 4.23Å; V163-F247 HydrophobicContact CG2-CB 4.38Å; V163-L250 HydrophobicContact CB-CD2 3.97Å; V163-L250 HydrophobicContact CB-CG 4.27Å; V163-L250 HydrophobicContact CG1-CB 4.4Å; V163-L250 HydrophobicContact CG1-CD2 3.91Å; V163-L250 HydrophobicContact CG1-CG 3.7Å; V163-L250 HydrophobicContact CG2-CD2 4.32Å; V163-I256 HydrophobicContact CG2-CD1 3.44Å; V163-I256 VanDerWaalsContact CG2-CD1 3.44Å
164	G	79.3	Confident	88.6	Confident	49 Å²	49	30.4 Å²	30.4	51%	0.505	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	-125.2	-164.8	0	0	0	0	0	110.7
165	E	77.2	Confident	88.6	Confident	197 Å²	197	30.6 Å²	30.6	92%	0.921	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-8.2	176.1	-62.5	-174.9	168.6	0	0	113.1	V163 R167	V163-E165 PolarHBondContact O-N 3.2Å; E165-R167 PolarHBondContact O-N 3.06Å
166	T	82.5	Confident	88.6	Confident	79 Å²	79	30.1 Å²	30.1	49%	0.485	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	119.2	-176.4	-52.5	0	0	0	0	110.6	H162 V163 L168	H162-T166 WeakPolarHBondContact CA-O 3.37Å; V163-T166 PolarHBondContact N-O 3.39Å; V163-T166 PolarHBondContact O-N 3.34Å; V163-T166 VanDerWaalsContact O-N 3.09Å; T166-L168 HydrophobicContact CG2-CD2 4.48Å
167	R	85.4	Confident	88.7	Confident	61 Å²	61	31.3 Å²	31.3	23%	0.23	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	126.3	172.4	-173.1	167.7	73.4	159.8	0.7	110.5	D88 I89 H162 E165 S169	D88-R167 IonicContact OD1-CZ 3.71Å; D88-R167 IonicContact OD1-NH1 3.91Å; D88-R167 IonicContact OD1-NH2 3.62Å; D88-R167 PolarHBondContact OD1-NH2 3.41Å; D88-R167 IonicContact OD2-CZ 3.51Å; D88-R167 IonicContact OD2-NH2 3.03Å; D88-R167 PolarHBondContact OD2-NH2 2.93Å; I89-R167 PolarHBondContact O-NH1 2.86Å; H162-R167 WeakPolarHBondContact NE2-CB 2.89Å; H162-R167 WeakPolarHBondContact NE2-CG 3.24Å; E165-R167 PolarHBondContact O-N 3.06Å; R167-S169 WeakPolarHBondContact CD-O 3.4Å; R167-S169 WeakPolarHBondContact CG-O 3.26Å
168	L	86.6	Confident	88.6	Confident	27 Å²	27	31.3 Å²	31.3	14%	0.141	17%	0.167	C	C	.	.			trans	-101.3	-29.7	176.7	-62.8	-176.5	0	0	0	112.9	V161 V163 T166 H170 F253	V161-L168 HydrophobicContact CG1-CD1 4.37Å; V161-L168 PolarHBondContact O-N 2.83Å; V163-L168 HydrophobicContact CG2-CD1 3.54Å; V163-L168 HydrophobicContact CG2-CG 4.23Å; T166-L168 HydrophobicContact CG2-CD2 4.48Å; L168-H170 PolarHBondContact O-CD2 2.85Å; L168-F253 HydrophobicContact CD1-CD2 4.41Å; L168-F253 HydrophobicContact CD1-CE2 3.99Å
169	S	91	Very high	87.7	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.177	C	C	.	.			trans	-93.7	145.7	-179	-48.5	0	0	0	0	111.4	F160 V161 R167 E237 R238	F160-S169 WeakPolarHBondContact CD1-O 3.42Å; V161-S169 WeakPolarHBondContact CA-OG 3.3Å; V161-S169 WeakPolarHBondContact CB-OG 3.45Å; V161-S169 VanDerWaalsContact CG2-OG 3.26Å; V161-S169 WeakPolarHBondContact CG2-OG 3.14Å; V161-S169 PolarHBondContact N-OG 3.23Å; V161-S169 PolarHBondContact O-N 2.87Å; R167-S169 WeakPolarHBondContact CD-O 3.4Å; R167-S169 WeakPolarHBondContact CG-O 3.26Å; S169-E237 WeakPolarHBondContact CA-O 3.36Å; S169-E237 WeakPolarHBondContact CB-O 3.24Å; S169-R238 PolarHBondContact OG-O 3.36Å
170	H	93.4	Very high	86.3	Confident	17 Å²	17	38.3 Å²	38.3	8%	0.079	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	152.2	-179	-61.7	-97.1	0	0	0	110	R68 D88 L168 W172 E237	R68-H170 PolarHBondContact NH1-CD2 2.87Å; R68-H170 VanDerWaalsContact NH1-CD2 3.29Å; R68-H170 PolarHBondContact NH1-NE2 3.19Å; D88-H170 IonicContact OD1-ND1 3.57Å; D88-H170 IonicContact OD2-CE1 3.49Å; D88-H170 IonicContact OD2-CG 2.7Å; D88-H170 IonicContact OD2-ND1 2.82Å; D88-H170 PolarHBondContact OD2-ND1 3.39Å; L168-H170 PolarHBondContact O-CD2 2.85Å; H170-W172 HydrophobicContact CB-CD2 4.31Å; H170-W172 VanDerWaalsContact CB-CE2 3.44Å; H170-W172 HydrophobicContact CB-CZ2 3.67Å; H170-W172 AromaticContact CG-CE2 3.88Å; H170-W172 AromaticContact CG-CZ2 3.56Å; H170-W172 AromaticContact CG-NE1 3.89Å; H170-W172 AromaticContact ND1-CZ2 3.47Å; H170-W172 WeakPolarHBondContact ND1-CZ2 3.24Å; H170-E237 HydrophobicContact CB-CB 4.39Å; H170-E237 IonicContact CD2-OE2 2.76Å; H170-E237 PolarHBondContact N-O 3.26Å; H170-E237 VanDerWaalsContact N-O 3.08Å; H170-E237 PolarHBondContact O-N 2.87Å
171	V	94.6	Very high	84.6	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	108.6	168.4	-176.7	0	0	0	0	107.2	I89 I117 P119 F160 V234 T235 W236 M239	I89-V171 HydrophobicContact CB-CB 4.21Å; I89-V171 HydrophobicContact CD1-CB 4.26Å; I89-V171 HydrophobicContact CD1-CG1 3.78Å; I89-V171 HydrophobicContact CG1-CB 4.43Å; I89-V171 HydrophobicContact CG1-CG1 4.4Å; I89-V171 WeakPolarHBondContact CG1-O 3.41Å; I89-V171 PolarHBondContact N-O 3.15Å; I117-V171 HydrophobicContact CG2-CG1 4.29Å; P119-V171 HydrophobicContact CB-CG2 4.5Å; F160-V171 HydrophobicContact CE1-CG2 3.91Å; F160-V171 HydrophobicContact CZ-CB 4.4Å; F160-V171 HydrophobicContact CZ-CG2 3.73Å; V171-V234 HydrophobicContact CG1-CG1 4.29Å; V171-T235 WeakPolarHBondContact CA-O 3.24Å; V171-W236 HydrophobicContact CG1-CG 4.34Å; V171-W236 HydrophobicContact CG2-CG 4.28Å; V171-M239 HydrophobicContact CG2-CE 4.21Å; V171-M239 HydrophobicContact CG2-SD 3.81Å
172	W	95.1	Very high	82.7	Confident	4 Å²	4	46.9 Å²	46.9	2%	0.015	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	141.9	-174.9	-60.3	104.2	0	0	0	110.3	F80 E82 D86 I87 D88 H170 V234 T235 E237	F80-W172 AromaticContact CD2-CD1 3.51Å; F80-W172 HydrophobicContact CD2-CG 4.09Å; F80-W172 AromaticContact CE2-CD1 3.79Å; E82-W172 HydrophobicContact CG-CH2 3.64Å; E82-W172 HydrophobicContact CG-CZ3 3.94Å; E82-W172 VanDerWaalsContact OE1-CH2 3.26Å; E82-W172 WeakPolarHBondContact OE1-CH2 3.36Å; D86-W172 HydrophobicContact CB-CB 3.99Å; D86-W172 HydrophobicContact CB-CD2 4.39Å; D86-W172 HydrophobicContact CB-CE3 3.79Å; I87-W172 CarbonylContact O-C 3.51Å; I87-W172 WeakPolarHBondContact O-CA 3.24Å; D88-W172 HydrophobicContact CB-CE3 3.89Å; D88-W172 HydrophobicContact CB-CH2 3.75Å; D88-W172 HydrophobicContact CB-CZ3 3.4Å; D88-W172 VanDerWaalsContact CB-CZ3 3.4Å; D88-W172 WeakPolarHBondContact OD2-CH2 3.37Å; H170-W172 HydrophobicContact CB-CD2 4.31Å; H170-W172 VanDerWaalsContact CB-CE2 3.44Å; H170-W172 HydrophobicContact CB-CZ2 3.67Å; H170-W172 AromaticContact CG-CE2 3.88Å; H170-W172 AromaticContact CG-CZ2 3.56Å; H170-W172 AromaticContact CG-NE1 3.89Å; H170-W172 AromaticContact ND1-CZ2 3.47Å; H170-W172 WeakPolarHBondContact ND1-CZ2 3.24Å; W172-V234 CarbonylContact O-C 3.51Å; W172-V234 VanDerWaalsContact O-CA 3.28Å; W172-V234 WeakPolarHBondContact O-CA 3.33Å; W172-T235 PolarHBondContact N-O 3.08Å; W172-T235 PolarHBondContact O-N 2.82Å; W172-E237 PolarHBondContact NE1-OE2 3.49Å
173	Y	95.3	Very high	80.8	Confident	30 Å²	30	55 Å²	55	12%	0.118	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	153.6	166	78.9	-85.5	0	0	0	113.9	D86 I87 I89 V97 I99 I117 L232 V233	D86-Y173 WeakPolarHBondContact CA-O 3.48Å; I87-Y173 HydrophobicContact CB-CD1 4.07Å; I87-Y173 HydrophobicContact CB-CE1 3.58Å; I87-Y173 HydrophobicContact CB-CE2 4.47Å; I87-Y173 HydrophobicContact CD1-CE1 4.41Å; I87-Y173 HydrophobicContact CD1-CE2 4.25Å; I87-Y173 WeakPolarHBondContact CD1-OH 3.32Å; I87-Y173 HydrophobicContact CG2-CD1 4.28Å; I87-Y173 HydrophobicContact CG2-CE1 3.5Å; I87-Y173 PolarHBondContact N-O 3.16Å; I87-Y173 PolarHBondContact O-N 3.44Å; I89-Y173 HydrophobicContact CD1-CD1 4.1Å; I89-Y173 HydrophobicContact CG1-CD1 3.88Å; I89-Y173 HydrophobicContact CG1-CE1 4.07Å; V97-Y173 HydrophobicContact CG1-CE1 4.21Å; I99-Y173 HydrophobicContact CD1-CD1 4.43Å; I99-Y173 HydrophobicContact CD1-CD2 3.45Å; I99-Y173 VanDerWaalsContact CD1-CD2 3.45Å; I99-Y173 HydrophobicContact CD1-CE1 4.35Å; I99-Y173 HydrophobicContact CD1-CE2 3.37Å; I99-Y173 HydrophobicContact CD1-CG 3.99Å; I99-Y173 HydrophobicContact CG1-CE2 3.97Å; I117-Y173 VanDerWaalsContact CD1-CB 3.49Å; I117-Y173 HydrophobicContact CD1-CD1 4.07Å; I117-Y173 HydrophobicContact CD1-CD2 4.13Å; I117-Y173 HydrophobicContact CD1-CG 3.63Å; Y173-L232 HydrophobicContact CD2-CD1 4.36Å; Y173-V233 CarbonylContact C-O 3.59Å; Y173-V233 WeakPolarHBondContact CA-O 3.37Å
174	R	94.3	Very high	79.2	Confident	3 Å²	3	60.2 Å²	60.2	1%	0.011	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	150.9	167	60.1	170.5	161.6	165.3	5.9	112.4	P79 F84 D86 I176 G201 L232 V233	P79-R174 PolarHBondContact O-NH2 3.42Å; F84-R174 PolarHBondContact O-NH1 2.94Å; D86-R174 WeakPolarHBondContact OD1-CD 3.46Å; D86-R174 WeakPolarHBondContact OD1-CG 3.41Å; D86-R174 IonicContact OD1-CZ 3.33Å; D86-R174 IonicContact OD1-NE 2.74Å; D86-R174 PolarHBondContact OD1-NE 3.16Å; R174-I176 HydrophobicContact CG-CG1 4.25Å; R174-G201 CarbonylContact C-O 3.46Å; R174-G201 VanDerWaalsContact CA-O 3.23Å; R174-G201 WeakPolarHBondContact CA-O 3.4Å; R174-G201 WeakPolarHBondContact CB-O 3.3Å; R174-L232 WeakPolarHBondContact O-CA 3.42Å; R174-V233 HydrophobicContact CG-CB 4.21Å; R174-V233 PolarHBondContact N-O 3.38Å; R174-V233 PolarHBondContact O-N 3.15Å
175	I	93.2	Very high	77.6	Confident	4 Å²	4	63.4 Å²	63.4	2%	0.021	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	132	168.3	-65.9	165.5	0	0	0	108.8	I99 D100 F103 T177 G201 R202 V203 A231 L232	I99-I175 HydrophobicContact CG2-CD1 3.54Å; I99-I175 HydrophobicContact CG2-CG1 4.45Å; D100-I175 WeakPolarHBondContact O-CD1 3.44Å; F103-I175 HydrophobicContact CE1-CG2 3.88Å; I175-T177 HydrophobicContact CG2-CG2 3.99Å; I175-G201 PolarHBondContact N-O 3.04Å; I175-R202 HydrophobicContact CB-CG 4.21Å; I175-R202 CarbonylContact O-C 3.52Å; I175-R202 WeakPolarHBondContact O-CA 3.18Å; I175-V203 PolarHBondContact O-N 3.46Å; I175-A231 CarbonylContact C-O 3.49Å; I175-A231 WeakPolarHBondContact CA-O 3.14Å; I175-L232 HydrophobicContact CG1-CD1 3.78Å
176	I	93	Very high	76	Confident	0 Å²	0	60 Å²	60	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	132.7	-178.8	-49.3	171.4	0	0	0	108.3	R174 V203 D205 L208 L209 Y230 A231 V233	R174-I176 HydrophobicContact CG-CG1 4.25Å; I176-V203 VanDerWaalsContact CA-O 3.29Å; I176-V203 WeakPolarHBondContact CA-O 3.07Å; I176-D205 HydrophobicContact CG2-CB 3.89Å; I176-L208 HydrophobicContact CD1-CD2 3.39Å; I176-L208 HydrophobicContact CD1-CG 4.04Å; I176-L209 HydrophobicContact CB-CD2 4.39Å; I176-L209 HydrophobicContact CG2-CD1 4.09Å; I176-L209 HydrophobicContact CG2-CD2 4.04Å; I176-L209 HydrophobicContact CG2-CG 3.8Å; I176-Y230 CarbonylContact O-C 3.45Å; I176-Y230 WeakPolarHBondContact O-CA 3.03Å; I176-A231 HydrophobicContact CB-CB 4.35Å; I176-A231 PolarHBondContact N-O 3.29Å; I176-A231 PolarHBondContact O-N 3.29Å; I176-V233 HydrophobicContact CD1-CG2 3.7Å
177	T	90.2	Very high	74.5	Confident	30 Å²	30	60.2 Å²	60.2	18%	0.184	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	158.5	-179.8	71.2	0	0	0	0	111.6	I175 V203 E204 Y230	I175-T177 HydrophobicContact CG2-CG2 3.99Å; T177-V203 PolarHBondContact N-O 2.78Å; T177-E204 WeakPolarHBondContact O-CA 3.49Å; T177-Y230 HydrophobicContact CG2-CD1 3.83Å; T177-Y230 HydrophobicContact CG2-CE1 4.21Å
178	R	85.5	Confident	72.6	Confident	29 Å²	29	60.6 Å²	60.6	11%	0.109	30%	0.302	C	S	.	.			trans	-92.6	135.2	173.3	-172.1	174	-59.6	-86.3	2.3	110.4	Q180 Y181 N206 L209 D210 A228 D229	R178-Q180 HydrophobicContact CG-CB 4.49Å; R178-Q180 PolarHBondContact O-N 2.79Å; R178-Q180 VanDerWaalsContact O-N 3.1Å; R178-Y181 HydrophobicContact CB-CD2 4.11Å; R178-Y181 HydrophobicContact CB-CE2 4.39Å; R178-Y181 PolarHBondContact O-N 2.86Å; R178-N206 WeakPolarHBondContact CG-OD1 3.05Å; R178-L209 HydrophobicContact CB-CD1 4.05Å; R178-D210 IonicContact CZ-OD1 3.14Å; R178-D210 IonicContact NH1-OD1 3.98Å; R178-D210 PolarHBondContact NH1-OD1 2.92Å; R178-D210 IonicContact NH2-OD1 2.7Å; R178-D210 PolarHBondContact NH2-OD1 2.92Å; R178-A228 PolarHBondContact NH2-O 2.79Å; R178-A228 VanDerWaalsContact NH2-O 3.13Å; R178-D229 PolarHBondContact N-O 3.37Å; R178-D229 IonicContact NE-OD1 3.82Å
179	P	70.4	Confident	70.8	Confident	38 Å²	38	65 Å²	65	25%	0.247	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-59.2	-28.8	-176.4	-21.5	28.1	0	0	0	114.6	Y181 R182 E204 N206	P179-Y181 PolarHBondContact O-N 3.34Å; P179-R182 WeakPolarHBondContact O-CG 3.28Å; P179-R182 PolarHBondContact O-N 3.29Å; P179-E204 HydrophobicContact CG-CB 4.3Å; P179-E204 HydrophobicContact CG-CG 4.38Å; P179-N206 WeakPolarHBondContact CD-OD1 3.5Å
180	Q	59.6	Low	68.9	Low	151 Å²	151	71.8 Å²	71.8	71%	0.706	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-63.4	-14.5	-174.8	-66.1	-176.4	-4	0	0	113.4	R178	R178-Q180 HydrophobicContact CG-CB 4.49Å; R178-Q180 PolarHBondContact O-N 2.79Å; R178-Q180 VanDerWaalsContact O-N 3.1Å
181	Y	54.1	Low	66.8	Low	75 Å²	75	77.4 Å²	77.4	29%	0.294	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-88.6	6.1	179.8	-70.3	-69.6	0	0	0	115.1	R178 P179 W183 K184 D229 Y230	R178-Y181 HydrophobicContact CB-CD2 4.11Å; R178-Y181 HydrophobicContact CB-CE2 4.39Å; R178-Y181 PolarHBondContact O-N 2.86Å; P179-Y181 PolarHBondContact O-N 3.34Å; Y181-W183 PolarHBondContact O-N 2.61Å; Y181-W183 VanDerWaalsContact O-N 3.11Å; Y181-K184 HydrophobicContact CD1-CD 4.11Å; Y181-K184 PolarHBondContact O-N 2.66Å; Y181-D229 HydrophobicContact CD2-CB 4.31Å; Y181-D229 HydrophobicContact CE2-CB 3.54Å; Y181-D229 VanDerWaalsContact CE2-CG 3.4Å; Y181-D229 VanDerWaalsContact OH-CG 3.25Å; Y181-D229 PolarHBondContact OH-OD2 2.58Å; Y181-Y230 WeakPolarHBondContact CB-OH 3.42Å
182	R	49.1	Very low	64.6	Low	123 Å²	123	81.5 Å²	81.5	46%	0.464	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	-51.2	-32.1	170.2	-77.1	179.5	-169.9	-166	3	113.6	P179 K184 E204	P179-R182 WeakPolarHBondContact O-CG 3.28Å; P179-R182 PolarHBondContact O-N 3.29Å; R182-K184 PolarHBondContact O-N 3.09Å; R182-E204 IonicContact CZ-OE1 3.3Å; R182-E204 IonicContact NE-OE1 2.66Å; R182-E204 PolarHBondContact NE-OE1 3.23Å; R182-E204 IonicContact NH2-OE1 3.91Å; R182-E204 PolarHBondContact NH2-OE1 2.84Å; R182-E204 IonicContact NH2-OE2 2.74Å; R182-E204 PolarHBondContact NH2-OE2 2.9Å
183	W	45.9	Very low	62.5	Low	232 Å²	232	83.1 Å²	83.1	88%	0.879	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-81.1	-6.2	-174.4	-52.9	103.1	0	0	0	115.5	Y181 Q185	Y181-W183 PolarHBondContact O-N 2.61Å; Y181-W183 VanDerWaalsContact O-N 3.11Å; W183-Q185 PolarHBondContact O-N 3.19Å
184	K	48.1	Very low	60.2	Low	116 Å²	116	88.2 Å²	88.2	50%	0.504	44%	0.442	S	S	.	.	G	3₁₀ helix	trans	-73.4	-5.6	-180	-97.7	-174.8	174.6	175.3	0	113.7	Y181 R182 P186 E271	Y181-K184 HydrophobicContact CD1-CD 4.11Å; Y181-K184 PolarHBondContact O-N 2.66Å; R182-K184 PolarHBondContact O-N 3.09Å; K184-P186 VanDerWaalsContact C-CD 3.49Å; K184-P186 VanDerWaalsContact O-CD 3.27Å; K184-P186 WeakPolarHBondContact O-CD 3.37Å; K184-E271 IonicContact NZ-OE2 2.84Å; K184-E271 PolarHBondContact NZ-OE2 3.27Å
185	Q	45.9	Very low	58.1	Low	115 Å²	115	91 Å²	91	54%	0.537	46%	0.459	S	S	.	.			trans	-114.1	81.9	172.9	-69.4	177	-33	0	0	110.8	W183 G187 L188	W183-Q185 PolarHBondContact O-N 3.19Å; Q185-G187 PolarHBondContact O-N 2.94Å; Q185-L188 HydrophobicContact CB-CD1 3.86Å; Q185-L188 HydrophobicContact CG-CD1 4.14Å
186	P	43.1	Very low	56	Low	126 Å²	126	92.7 Å²	92.7	82%	0.818	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	106	171.7	27.4	-30.2	0	0	0	108.4	K184	K184-P186 VanDerWaalsContact C-CD 3.49Å; K184-P186 VanDerWaalsContact O-CD 3.27Å; K184-P186 WeakPolarHBondContact O-CD 3.37Å
187	G	51	Low	54.1	Low	83 Å²	83	95.9 Å²	95.9	86%	0.856	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	131.9	-4	175.1	0	0	0	0	0	116	Q185	Q185-G187 PolarHBondContact O-N 2.94Å
188	L	44.8	Very low	52.2	Low	70 Å²	70	101.5 Å²	101.5	37%	0.366	52%	0.515	S	S	.	.			trans	-88	124.6	169	-84.7	155.2	0	0	0	109.4	Q185 D192	Q185-L188 HydrophobicContact CB-CD1 3.86Å; Q185-L188 HydrophobicContact CG-CD1 4.14Å; L188-D192 HydrophobicContact CD2-CB 3.46Å; L188-D192 VanDerWaalsContact CD2-CB 3.46Å
189	D	49.5	Very low	50.8	Low	118 Å²	118	107.6 Å²	107.6	63%	0.631	54%	0.539	S	S	*	.			trans	-63.6	151.5	175.1	-155	-9.6	0	0	0	109.2	H191 D192	D189-H191 PolarHBondContact O-N 2.72Å; D189-D192 PolarHBondContact O-N 3.01Å
190	L	50.6	Low	50.6	Low	143 Å²	143	112.5 Å²	112.5	75%	0.749	56%	0.563	S	S	*	*	H	α-helix	trans	-53.3	-26.7	180	-87.8	155.5	0	0	0	112.3	H193	L190-H193 PolarHBondContact O-N 3.13Å
191	H	48.6	Very low	51.3	Low	136 Å²	136	105.5 Å²	105.5	63%	0.63	53%	0.531	S	S	*	.	H	α-helix	trans	-72.7	-35.3	179.8	-150.4	55.9	0	0	0	113.8	D189 H193 T195	D189-H191 PolarHBondContact O-N 2.72Å; H191-H193 VanDerWaalsContact C-N 3.25Å; H191-H193 PolarHBondContact O-N 2.97Å; H191-T195 PolarHBondContact O-OG1 3.06Å
192	D	49.8	Very low	52.8	Low	86 Å²	86	105.6 Å²	105.6	46%	0.46	53%	0.531	S	S	.	.	H	α-helix	trans	-75.7	-16.5	176.2	-78	-26	0	0	0	112.3	L188 D189 T195 A196	L188-D192 HydrophobicContact CD2-CB 3.46Å; L188-D192 VanDerWaalsContact CD2-CB 3.46Å; D189-D192 PolarHBondContact O-N 3.01Å; D192-T195 VanDerWaalsContact C-OG1 3.26Å; D192-T195 VanDerWaalsContact CA-OG1 3.27Å; D192-T195 WeakPolarHBondContact CA-OG1 3.49Å; D192-T195 PolarHBondContact O-OG1 3.27Å; D192-A196 PolarHBondContact O-N 3.03Å; D192-A196 VanDerWaalsContact O-N 3.11Å
193	H	49.6	Very low	54.7	Low	37 Å²	37	101 Å²	101	17%	0.171	52%	0.517	C	S	.	.	H	α-helix	trans	-77.8	-36.8	176.4	-78	-59.4	0	0	0	113.1	L190 H191 T195 A196 L197	L190-H193 PolarHBondContact O-N 3.13Å; H191-H193 VanDerWaalsContact C-N 3.25Å; H191-H193 PolarHBondContact O-N 2.97Å; H193-T195 VanDerWaalsContact C-N 3.31Å; H193-A196 PolarHBondContact O-N 3.38Å; H193-L197 PolarHBondContact O-N 2.99Å
194	E	48.8	Very low	56.6	Low	138 Å²	138	93.1 Å²	93.1	65%	0.645	49%	0.49	S	S	*	.	H	α-helix	trans	-64.6	-38.8	172.7	-74.3	-174.5	161.6	0	0	110.8	L197 Q198	E194-L197 PolarHBondContact O-N 2.76Å; E194-Q198 WeakPolarHBondContact O-CB 3.29Å; E194-Q198 PolarHBondContact O-N 3.34Å; E194-Q198 VanDerWaalsContact O-N 3.1Å
195	T	48.4	Very low	58.7	Low	60 Å²	60	89.7 Å²	89.7	37%	0.368	48%	0.477	S	S	.	.	H	α-helix	trans	-69.4	-34.5	176.2	49	0	0	0	0	113	H191 D192 H193 L197 Q198 Y199	H191-T195 PolarHBondContact O-OG1 3.06Å; D192-T195 VanDerWaalsContact C-OG1 3.26Å; D192-T195 VanDerWaalsContact CA-OG1 3.27Å; D192-T195 WeakPolarHBondContact CA-OG1 3.49Å; D192-T195 PolarHBondContact O-OG1 3.27Å; H193-T195 VanDerWaalsContact C-N 3.31Å; T195-L197 VanDerWaalsContact C-N 3.31Å; T195-L197 PolarHBondContact O-N 3.42Å; T195-Q198 WeakPolarHBondContact O-CB 3.4Å; T195-Q198 PolarHBondContact O-N 3.2Å; T195-Q198 VanDerWaalsContact O-N 3.07Å; T195-Y199 WeakPolarHBondContact O-CD2 3.23Å
196	A	50.2	Low	60.8	Low	41 Å²	41	87.1 Å²	87.1	34%	0.339	47%	0.467	S	S	.	.	H	α-helix	trans	-63.9	-33.7	175.8	0	0	0	0	0	113.4	D192 H193	D192-A196 PolarHBondContact O-N 3.03Å; D192-A196 VanDerWaalsContact O-N 3.11Å; H193-A196 PolarHBondContact O-N 3.38Å
197	L	52	Low	63.2	Low	67 Å²	67	88.2 Å²	88.2	35%	0.351	46%	0.459	S	S	.	.	H	α-helix	trans	-81.2	-15.7	172.7	-73.6	169.4	0	0	0	113.1	H193 E194 T195 Y199 E204	H193-L197 PolarHBondContact O-N 2.99Å; E194-L197 PolarHBondContact O-N 2.76Å; T195-L197 VanDerWaalsContact C-N 3.31Å; T195-L197 PolarHBondContact O-N 3.42Å; L197-Y199 VanDerWaalsContact C-N 3.26Å; L197-Y199 PolarHBondContact O-N 2.84Å; L197-E204 HydrophobicContact CD2-CG 4Å
198	Q	50.9	Low	65.2	Low	148 Å²	148	84.4 Å²	84.4	69%	0.692	42%	0.419	S	S	*	.	S	Bend	trans	-79.2	-8.1	178.7	-163.1	165.9	-1.6	0	0	113.1	E194 T195 D200	E194-Q198 WeakPolarHBondContact O-CB 3.29Å; E194-Q198 PolarHBondContact O-N 3.34Å; E194-Q198 VanDerWaalsContact O-N 3.1Å; T195-Q198 WeakPolarHBondContact O-CB 3.4Å; T195-Q198 PolarHBondContact O-N 3.2Å; T195-Q198 VanDerWaalsContact O-N 3.07Å; Q198-D200 PolarHBondContact O-N 2.83Å
199	Y	56.6	Low	67.7	Low	156 Å²	156	81.1 Å²	81.1	61%	0.612	40%	0.402	S	S	*	.	S	Bend	trans	-70.2	119.4	168.5	-73.7	-80.4	0	0	0	110	T195 L197 R202	T195-Y199 WeakPolarHBondContact O-CD2 3.23Å; L197-Y199 VanDerWaalsContact C-N 3.26Å; L197-Y199 PolarHBondContact O-N 2.84Å; Y199-R202 PolarHBondContact O-N 2.75Å
200	D	65	Low	69.8	Low	141 Å²	141	79.3 Å²	79.3	75%	0.754	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.1	145.6	171.7	-76.3	-32.3	0	0	0	111.3	I87 Q198 R202	I87-D200 VanDerWaalsContact CD1-C 3.43Å; I87-D200 HydrophobicContact CD1-CB 3.92Å; I87-D200 WeakPolarHBondContact CD1-O 3.37Å; I87-D200 HydrophobicContact CG1-CB 4.08Å; Q198-D200 PolarHBondContact O-N 2.83Å; D200-R202 PolarHBondContact O-N 3.14Å
201	G	74.8	Confident	71.9	Confident	4 Å²	4	75.4 Å²	75.4	4%	0.041	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.6	0.1	179.1	0	0	0	0	0	115.9	R174 I175	R174-G201 CarbonylContact C-O 3.46Å; R174-G201 VanDerWaalsContact CA-O 3.23Å; R174-G201 WeakPolarHBondContact CA-O 3.4Å; R174-G201 WeakPolarHBondContact CB-O 3.3Å; I175-G201 PolarHBondContact N-O 3.04Å
202	R	85.7	Confident	74.2	Confident	77 Å²	77	68.9 Å²	68.9	29%	0.291	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	126.4	169.4	-67.1	-170.9	173.5	134.4	-2.8	110.9	D100 I175 Y199 D200	D100-R202 PolarHBondContact O-NH2 3.41Å; I175-R202 HydrophobicContact CB-CG 4.21Å; I175-R202 CarbonylContact O-C 3.52Å; I175-R202 WeakPolarHBondContact O-CA 3.18Å; Y199-R202 PolarHBondContact O-N 2.75Å; D200-R202 PolarHBondContact O-N 3.14Å
203	V	88.4	Confident	76.3	Confident	27 Å²	27	65.4 Å²	65.4	16%	0.164	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	143.8	-174.7	-174.8	0	0	0	0	111	K85 I175 I176 T177 D205	K85-V203 HydrophobicContact CB-CG2 4.03Å; I175-V203 PolarHBondContact O-N 3.46Å; I176-V203 VanDerWaalsContact CA-O 3.29Å; I176-V203 WeakPolarHBondContact CA-O 3.07Å; T177-V203 PolarHBondContact N-O 2.78Å; V203-D205 HydrophobicContact CG1-CB 4.45Å
204	E	87.3	Confident	78.2	Confident	67 Å²	67	69.5 Å²	69.5	31%	0.313	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	111.3	165.7	-68.9	-177.7	168.2	0	0	109.1	T177 P179 R182 L197	T177-E204 WeakPolarHBondContact O-CA 3.49Å; P179-E204 HydrophobicContact CG-CB 4.3Å; P179-E204 HydrophobicContact CG-CG 4.38Å; R182-E204 IonicContact CZ-OE1 3.3Å; R182-E204 IonicContact NE-OE1 2.66Å; R182-E204 PolarHBondContact NE-OE1 3.23Å; R182-E204 IonicContact NH2-OE1 3.91Å; R182-E204 PolarHBondContact NH2-OE1 2.84Å; R182-E204 IonicContact NH2-OE2 2.74Å; R182-E204 PolarHBondContact NH2-OE2 2.9Å; L197-E204 HydrophobicContact CD2-CG 4Å
205	D	91.1	Very high	80.3	Confident	44 Å²	44	63.6 Å²	63.6	24%	0.235	31%	0.309	C	S	.	.			trans	-140.6	88	178.9	-171.1	-14.3	0	0	0	111.2	I176 V203 K207 L208 L209	I176-D205 HydrophobicContact CG2-CB 3.89Å; V203-D205 HydrophobicContact CG1-CB 4.45Å; D205-K207 VanDerWaalsContact C-N 3.26Å; D205-K207 PolarHBondContact O-N 3.32Å; D205-K207 WeakPolarHBondContact OD1-CB 2.94Å; D205-K207 PolarHBondContact OD1-N 3.31Å; D205-L208 HydrophobicContact CB-CB 4.22Å; D205-L208 VanDerWaalsContact CG-CB 3.48Å; D205-L208 PolarHBondContact OD1-N 2.89Å; D205-L208 WeakPolarHBondContact OD2-CB 3.38Å; D205-L209 WeakPolarHBondContact O-CG 3.2Å; D205-L209 PolarHBondContact O-N 3.06Å; D205-L209 VanDerWaalsContact O-N 3.15Å
206	N	90.4	Very high	82.4	Confident	61 Å²	61	60.8 Å²	60.8	33%	0.326	29%	0.291	S	S	.	.	H	α-helix	trans	-63.5	-34.3	177.8	-68.8	-18.2	0	0	0	112.3	R178 P179 L209 D210	R178-N206 WeakPolarHBondContact CG-OD1 3.05Å; P179-N206 WeakPolarHBondContact CD-OD1 3.5Å; N206-L209 PolarHBondContact O-N 3.44Å; N206-D210 VanDerWaalsContact O-CB 3.32Å; N206-D210 WeakPolarHBondContact O-CB 3.4Å; N206-D210 PolarHBondContact O-N 3.09Å
207	K	92.7	Very high	84.1	Confident	148 Å²	148	63.4 Å²	63.4	64%	0.643	29%	0.292	S	S	*	.	H	α-helix	trans	-66.3	-45.3	-175.7	-175.9	-176	173.7	-173.6	0	109.9	D205 D210 E211	D205-K207 VanDerWaalsContact C-N 3.26Å; D205-K207 PolarHBondContact O-N 3.32Å; D205-K207 WeakPolarHBondContact OD1-CB 2.94Å; D205-K207 PolarHBondContact OD1-N 3.31Å; K207-D210 PolarHBondContact O-N 3.5Å; K207-E211 WeakPolarHBondContact O-CG 3.02Å; K207-E211 PolarHBondContact O-N 3.27Å
208	L	94.8	Very high	85.7	Confident	4 Å²	4	64.3 Å²	64.3	2%	0.021	30%	0.295	C	S	.	.	H	α-helix	trans	-67	-40.3	176.2	-179.2	51.9	0	0	0	112	Y78 I176 D205 D210 E211 I212	Y78-L208 HydrophobicContact CD1-CD1 3.38Å; Y78-L208 HydrophobicContact CE1-CD1 4.04Å; Y78-L208 HydrophobicContact CG-CD1 3.96Å; I176-L208 HydrophobicContact CD1-CD2 3.39Å; I176-L208 HydrophobicContact CD1-CG 4.04Å; D205-L208 HydrophobicContact CB-CB 4.22Å; D205-L208 VanDerWaalsContact CG-CB 3.48Å; D205-L208 PolarHBondContact OD1-N 2.89Å; D205-L208 WeakPolarHBondContact OD2-CB 3.38Å; L208-D210 VanDerWaalsContact C-N 3.29Å; L208-D210 PolarHBondContact O-N 3.43Å; L208-E211 WeakPolarHBondContact O-CB 3.34Å; L208-E211 PolarHBondContact O-N 3.22Å; L208-I212 HydrophobicContact CD1-CD1 4.3Å; L208-I212 HydrophobicContact CD1-CG1 4.34Å; L208-I212 HydrophobicContact CG-CD1 4.15Å; L208-I212 VanDerWaalsContact O-CG1 3.3Å; L208-I212 WeakPolarHBondContact O-CG1 3.01Å; L208-I212 PolarHBondContact O-N 3.35Å
209	L	95.7	Very high	87.4	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-62.4	-36.4	173.9	-70.9	175.2	0	0	0	112.4	I176 R178 D205 N206 I212 T213 A228 A231	I176-L209 HydrophobicContact CB-CD2 4.39Å; I176-L209 HydrophobicContact CG2-CD1 4.09Å; I176-L209 HydrophobicContact CG2-CD2 4.04Å; I176-L209 HydrophobicContact CG2-CG 3.8Å; R178-L209 HydrophobicContact CB-CD1 4.05Å; D205-L209 WeakPolarHBondContact O-CG 3.2Å; D205-L209 PolarHBondContact O-N 3.06Å; D205-L209 VanDerWaalsContact O-N 3.15Å; N206-L209 PolarHBondContact O-N 3.44Å; L209-I212 PolarHBondContact O-N 3.22Å; L209-T213 VanDerWaalsContact O-CB 3.3Å; L209-T213 WeakPolarHBondContact O-CB 3.43Å; L209-T213 PolarHBondContact O-N 3.29Å; L209-T213 PolarHBondContact O-OG1 3.34Å; L209-A228 HydrophobicContact CB-CB 4.34Å; L209-A228 HydrophobicContact CD2-CB 3.92Å; L209-A231 HydrophobicContact CD2-CB 3.91Å
210	D	94.3	Very high	88.7	Confident	81 Å²	81	50.1 Å²	50.1	43%	0.433	23%	0.234	S	C	.	.	H	α-helix	trans	-71.6	-36.4	176.6	-66	-13	0	0	0	111.2	R178 N206 K207 L208 T213 R214	R178-D210 IonicContact CZ-OD1 3.14Å; R178-D210 IonicContact NH1-OD1 3.98Å; R178-D210 PolarHBondContact NH1-OD1 2.92Å; R178-D210 IonicContact NH2-OD1 2.7Å; R178-D210 PolarHBondContact NH2-OD1 2.92Å; N206-D210 VanDerWaalsContact O-CB 3.32Å; N206-D210 WeakPolarHBondContact O-CB 3.4Å; N206-D210 PolarHBondContact O-N 3.09Å; K207-D210 PolarHBondContact O-N 3.5Å; L208-D210 VanDerWaalsContact C-N 3.29Å; L208-D210 PolarHBondContact O-N 3.43Å; D210-T213 WeakPolarHBondContact O-CB 3.14Å; D210-T213 PolarHBondContact O-N 3.25Å; D210-R214 WeakPolarHBondContact O-CB 2.99Å; D210-R214 PolarHBondContact O-N 3.44Å
211	E	95.2	Very high	89.6	Confident	60 Å²	60	43.7 Å²	43.7	28%	0.28	20%	0.2	S	C	.	.	H	α-helix	trans	-61.7	-47.6	170	-74.4	177.4	-167.9	0	0	111.7	K207 L208 T213 R214 D215	K207-E211 WeakPolarHBondContact O-CG 3.02Å; K207-E211 PolarHBondContact O-N 3.27Å; L208-E211 WeakPolarHBondContact O-CB 3.34Å; L208-E211 PolarHBondContact O-N 3.22Å; E211-T213 VanDerWaalsContact C-N 3.32Å; E211-T213 PolarHBondContact O-N 2.93Å; E211-R214 PolarHBondContact O-N 2.96Å; E211-D215 WeakPolarHBondContact O-CB 3.1Å; E211-D215 PolarHBondContact O-N 2.86Å
212	I	96.2	Very high	89.8	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-59.9	-44.4	174.7	-68	164.1	0	0	0	110.4	Y78 L208 L209 R214 D215 V216 A228 A231 V266 T268	Y78-I212 HydrophobicContact CE1-CG1 3.92Å; Y78-I212 HydrophobicContact CE2-CG1 4.08Å; L208-I212 HydrophobicContact CD1-CD1 4.3Å; L208-I212 HydrophobicContact CD1-CG1 4.34Å; L208-I212 HydrophobicContact CG-CD1 4.15Å; L208-I212 VanDerWaalsContact O-CG1 3.3Å; L208-I212 WeakPolarHBondContact O-CG1 3.01Å; L208-I212 PolarHBondContact O-N 3.35Å; L209-I212 PolarHBondContact O-N 3.22Å; I212-R214 VanDerWaalsContact C-N 3.34Å; I212-R214 PolarHBondContact O-N 2.81Å; I212-D215 PolarHBondContact O-N 3.37Å; I212-V216 HydrophobicContact CG2-CG2 4.47Å; I212-V216 WeakPolarHBondContact O-CG2 3.22Å; I212-V216 PolarHBondContact O-N 3.45Å; I212-A228 HydrophobicContact CB-CB 4.29Å; I212-A228 HydrophobicContact CG2-CB 3.96Å; I212-A231 HydrophobicContact CD1-CB 4.05Å; I212-V266 HydrophobicContact CD1-CG1 4.05Å; I212-T268 HydrophobicContact CG2-CG2 3.8Å
213	T	93.6	Very high	89.6	Confident	12 Å²	12	41.2 Å²	41.2	7%	0.074	20%	0.197	C	C	.	.	H	α-helix	trans	-58.3	-47.4	177.4	-62.8	0	0	0	0	110.8	L209 D210 E211 R217 Y226 A228	L209-T213 VanDerWaalsContact O-CB 3.3Å; L209-T213 WeakPolarHBondContact O-CB 3.43Å; L209-T213 PolarHBondContact O-N 3.29Å; L209-T213 PolarHBondContact O-OG1 3.34Å; D210-T213 WeakPolarHBondContact O-CB 3.14Å; D210-T213 PolarHBondContact O-N 3.25Å; E211-T213 VanDerWaalsContact C-N 3.32Å; E211-T213 PolarHBondContact O-N 2.93Å; T213-R217 HydrophobicContact CG2-CG 4.43Å; T213-R217 VanDerWaalsContact O-CB 3.29Å; T213-R217 WeakPolarHBondContact O-CB 3.36Å; T213-R217 VanDerWaalsContact O-CG 3.27Å; T213-R217 WeakPolarHBondContact O-CG 2.93Å; T213-R217 PolarHBondContact O-N 3.13Å; T213-Y226 WeakPolarHBondContact CG2-O 3.27Å; T213-A228 WeakPolarHBondContact OG1-CB 3Å; T213-A228 PolarHBondContact OG1-N 2.94Å
214	R	91.1	Very high	88.9	Confident	123 Å²	123	43 Å²	43	46%	0.464	22%	0.22	S	C	.	.	H	α-helix	trans	-60.7	-49.1	177	-177.5	-169.9	64.7	-158.5	-6.4	111	D210 E211 I212 V216 R217 E218	D210-R214 WeakPolarHBondContact O-CB 2.99Å; D210-R214 PolarHBondContact O-N 3.44Å; E211-R214 PolarHBondContact O-N 2.96Å; I212-R214 VanDerWaalsContact C-N 3.34Å; I212-R214 PolarHBondContact O-N 2.81Å; R214-V216 VanDerWaalsContact C-N 3.33Å; R214-V216 PolarHBondContact O-N 2.96Å; R214-R217 PolarHBondContact O-N 3.37Å; R214-R217 VanDerWaalsContact O-N 3.11Å; R214-E218 WeakPolarHBondContact CD-OE1 3.41Å; R214-E218 HydrophobicContact CG-CG 4.13Å; R214-E218 WeakPolarHBondContact CG-OE1 3.26Å; R214-E218 WeakPolarHBondContact O-CB 3.21Å; R214-E218 WeakPolarHBondContact O-CG 3.44Å; R214-E218 PolarHBondContact O-N 3.46Å
215	D	92.6	Very high	88.4	Confident	15 Å²	15	42.3 Å²	42.3	8%	0.08	23%	0.231	C	C	.	.	H	α-helix	trans	-63	-39.5	-176.5	-66.4	-17.8	0	0	0	111.7	Y78 E211 I212 N219 R340	Y78-D215 PolarHBondContact OH-OD2 3.44Å; E211-D215 WeakPolarHBondContact O-CB 3.1Å; E211-D215 PolarHBondContact O-N 2.86Å; I212-D215 PolarHBondContact O-N 3.37Å; D215-N219 WeakPolarHBondContact O-CB 3.45Å; D215-N219 PolarHBondContact O-N 2.77Å; D215-N219 PolarHBondContact O-ND2 2.68Å; D215-R340 VanDerWaalsContact CG-NH1 3.31Å; D215-R340 IonicContact OD2-CZ 3.01Å; D215-R340 IonicContact OD2-NH1 3.57Å; D215-R340 PolarHBondContact OD2-NH1 2.03Å
216	V	91.1	Very high	88.2	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-65	-47.8	172.2	171	0	0	0	0	110.8	I212 R214 E218 M220 T223 Y226 Y275 L277	I212-V216 HydrophobicContact CG2-CG2 4.47Å; I212-V216 WeakPolarHBondContact O-CG2 3.22Å; I212-V216 PolarHBondContact O-N 3.45Å; R214-V216 VanDerWaalsContact C-N 3.33Å; R214-V216 PolarHBondContact O-N 2.96Å; V216-E218 PolarHBondContact O-N 2.73Å; V216-M220 PolarHBondContact O-N 3.1Å; V216-T223 HydrophobicContact CG1-CG2 3.66Å; V216-Y226 HydrophobicContact CB-CD1 4.32Å; V216-Y226 HydrophobicContact CB-CE1 4.25Å; V216-Y226 HydrophobicContact CG1-CD1 3.8Å; V216-Y226 HydrophobicContact CG1-CE1 3.99Å; V216-Y226 HydrophobicContact CG2-CE1 4.33Å; V216-Y275 HydrophobicContact CG1-CD1 3.82Å; V216-Y275 HydrophobicContact CG1-CD2 4.28Å; V216-Y275 HydrophobicContact CG1-CE1 3.74Å; V216-Y275 HydrophobicContact CG1-CE2 4.24Å; V216-Y275 HydrophobicContact CG1-CG 4.09Å; V216-Y275 HydrophobicContact CG2-CG 4.43Å; V216-L277 HydrophobicContact CG2-CD1 4.14Å; V216-L277 HydrophobicContact CG2-CD2 4.47Å
217	R	86.7	Confident	88.1	Confident	96 Å²	96	39.7 Å²	39.7	36%	0.362	22%	0.219	S	C	.	.	H	α-helix	trans	-66.6	-35.1	-176.8	-77.7	-179	-179.9	-170.7	3.6	113.8	T213 R214 T223 Y226 K417	T213-R217 HydrophobicContact CG2-CG 4.43Å; T213-R217 VanDerWaalsContact O-CB 3.29Å; T213-R217 WeakPolarHBondContact O-CB 3.36Å; T213-R217 VanDerWaalsContact O-CG 3.27Å; T213-R217 WeakPolarHBondContact O-CG 2.93Å; T213-R217 PolarHBondContact O-N 3.13Å; R214-R217 PolarHBondContact O-N 3.37Å; R214-R217 VanDerWaalsContact O-N 3.11Å; R217-T223 WeakPolarHBondContact CA-OG1 3.43Å; R217-Y226 PolarHBondContact NE-O 3.49Å; R217-Y226 PolarHBondContact NH2-O 2.6Å; R217-K417 PolarHBondContact O-NZ 3.18Å
218	E	85.6	Confident	88.2	Confident	86 Å²	86	32.6 Å²	32.6	40%	0.402	19%	0.189	S	C	.	.	H	α-helix	trans	-78.9	-33.2	-179.1	-73.6	-179.8	-175.7	0	0	112.3	R214 V216 N414 K417	R214-E218 WeakPolarHBondContact CD-OE1 3.41Å; R214-E218 HydrophobicContact CG-CG 4.13Å; R214-E218 WeakPolarHBondContact CG-OE1 3.26Å; R214-E218 WeakPolarHBondContact O-CB 3.21Å; R214-E218 WeakPolarHBondContact O-CG 3.44Å; R214-E218 PolarHBondContact O-N 3.46Å; V216-E218 PolarHBondContact O-N 2.73Å; E218-N414 PolarHBondContact O-ND2 2.97Å; E218-K417 WeakPolarHBondContact O-CD 3.3Å; E218-K417 WeakPolarHBondContact O-CE 3.47Å; E218-K417 PolarHBondContact O-NZ 3.41Å; E218-K417 VanDerWaalsContact O-NZ 3.16Å
219	N	86.6	Confident	88.1	Confident	4 Å²	4	32.8 Å²	32.8	2%	0.021	19%	0.189	C	C	.	.	H	α-helix	trans	-102.1	-9.3	-171.3	-61.6	-74.5	0	0	0	114.4	D215 T335 Q336 I342 I352 V416	D215-N219 WeakPolarHBondContact O-CB 3.45Å; D215-N219 PolarHBondContact O-N 2.77Å; D215-N219 PolarHBondContact O-ND2 2.68Å; N219-T335 HydrophobicContact CB-CG2 3.71Å; N219-T335 WeakPolarHBondContact OD1-CB 3.42Å; N219-Q336 WeakPolarHBondContact OD1-CG 3.33Å; N219-Q336 PolarHBondContact OD1-N 3.38Å; N219-I342 HydrophobicContact CB-CD1 4.16Å; N219-I352 WeakPolarHBondContact O-CD1 3.43Å; N219-V416 WeakPolarHBondContact O-CG1 3.34Å
220	M	83.5	Confident	88	Confident	2 Å²	2	33.7 Å²	33.7	1%	0.01	19%	0.193	C	C	.	.	S	Bend	trans	-131.6	137.4	177.4	-173.8	167.9	-165	0	0	113.5	V216 T223 Y275 I342 K344 Q350 I352 K417	V216-M220 PolarHBondContact O-N 3.1Å; M220-T223 HydrophobicContact CB-CG2 3.83Å; M220-T223 HydrophobicContact CG-CG2 4.04Å; M220-T223 WeakPolarHBondContact O-CG2 3.3Å; M220-T223 PolarHBondContact O-OG1 3.2Å; M220-Y275 HydrophobicContact SD-CD1 4.18Å; M220-Y275 HydrophobicContact SD-CE1 3.88Å; M220-I342 HydrophobicContact SD-CG2 4.39Å; M220-K344 HydrophobicContact CE-CB 3.39Å; M220-K344 HydrophobicContact CE-CD 3.97Å; M220-K344 HydrophobicContact CE-CG 4.35Å; M220-K344 HydrophobicContact SD-CB 3.76Å; M220-Q350 HydrophobicContact CE-CB 4.08Å; M220-I352 HydrophobicContact CB-CD1 3.77Å; M220-I352 HydrophobicContact CG-CD1 3.7Å; M220-I352 HydrophobicContact CG-CG1 4.49Å; M220-K417 VanDerWaalsContact C-NZ 3.33Å; M220-K417 VanDerWaalsContact O-CE 3.29Å; M220-K417 WeakPolarHBondContact O-CE 3.36Å; M220-K417 PolarHBondContact O-NZ 3.47Å
221	V	84	Confident	88.2	Confident	7 Å²	7	29.9 Å²	29.9	4%	0.042	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	153.8	173.6	-68	0	0	0	0	110.9	T223 L372 T374 N387 K417	V221-T223 VanDerWaalsContact C-N 3.34Å; V221-L372 HydrophobicContact CG2-CB 3.72Å; V221-T374 HydrophobicContact CB-CG2 3.98Å; V221-T374 HydrophobicContact CG1-CG2 4.4Å; V221-N387 HydrophobicContact CG1-CB 4.24Å; V221-K417 HydrophobicContact CG1-CD 4.26Å; V221-K417 HydrophobicContact CG1-CG 4.15Å
222	G	80.1	Confident	88.2	Confident	21 Å²	21	27 Å²	27	22%	0.216	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	24.1	177.4	0	0	0	0	0	113.8	T374	G222-T374 WeakPolarHBondContact CA-O 3.29Å; G222-T374 VanDerWaalsContact N-CG2 3.33Å
223	T	80.1	Confident	88.3	Confident	7 Å²	7	27 Å²	27	4%	0.043	16%	0.159	C	C	.	.			trans	-104.5	7.1	-179.3	51.3	0	0	0	0	112.6	V216 R217 M220 V221 G225 Y226 Y275	V216-T223 HydrophobicContact CG1-CG2 3.66Å; R217-T223 WeakPolarHBondContact CA-OG1 3.43Å; M220-T223 HydrophobicContact CB-CG2 3.83Å; M220-T223 HydrophobicContact CG-CG2 4.04Å; M220-T223 WeakPolarHBondContact O-CG2 3.3Å; M220-T223 PolarHBondContact O-OG1 3.2Å; V221-T223 VanDerWaalsContact C-N 3.34Å; T223-G225 PolarHBondContact O-N 3.34Å; T223-Y226 VanDerWaalsContact O-CB 3.28Å; T223-Y226 WeakPolarHBondContact O-CB 3.49Å; T223-Y226 PolarHBondContact O-N 3.12Å; T223-Y275 HydrophobicContact CG2-CE1 4.06Å
224	G	73.7	Confident	88.5	Confident	64 Å²	64	26.4 Å²	26.4	66%	0.66	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.5	129.5	176.6	0	0	0	0	0	111.3	Y226 R273	G224-Y226 PolarHBondContact O-N 2.83Å; G224-R273 PolarHBondContact O-NH1 3.3Å; G224-R273 VanDerWaalsContact O-NH1 3.15Å
225	G	76.3	Confident	88.8	Confident	53 Å²	53	20.6 Å²	20.6	55%	0.546	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	5.5	-177.9	0	0	0	0	0	115.5	T223 R273	T223-G225 PolarHBondContact O-N 3.34Å; G225-R273 PolarHBondContact O-NH2 2.85Å
226	Y	87.8	Confident	89	Confident	0 Å²	0	19.9 Å²	19.9	0%	0	13%	0.13	C	C	.	.			trans	-74.2	130.9	169.8	173.6	-106.4	0	0	0	110.5	T213 V216 R217 T223 G224 A228 T268 T269 D270 R273 Y275	T213-Y226 WeakPolarHBondContact CG2-O 3.27Å; V216-Y226 HydrophobicContact CB-CD1 4.32Å; V216-Y226 HydrophobicContact CB-CE1 4.25Å; V216-Y226 HydrophobicContact CG1-CD1 3.8Å; V216-Y226 HydrophobicContact CG1-CE1 3.99Å; V216-Y226 HydrophobicContact CG2-CE1 4.33Å; R217-Y226 PolarHBondContact NE-O 3.49Å; R217-Y226 PolarHBondContact NH2-O 2.6Å; T223-Y226 VanDerWaalsContact O-CB 3.28Å; T223-Y226 WeakPolarHBondContact O-CB 3.49Å; T223-Y226 PolarHBondContact O-N 3.12Å; G224-Y226 PolarHBondContact O-N 2.83Å; Y226-A228 HydrophobicContact CE1-CB 4.44Å; Y226-T268 VanDerWaalsContact OH-CG2 3.29Å; Y226-T268 WeakPolarHBondContact OH-CG2 3.29Å; Y226-T268 PolarHBondContact OH-OG1 2.98Å; Y226-T269 PolarHBondContact OH-N 3.38Å; Y226-D270 HydrophobicContact CE2-CB 4.3Å; Y226-R273 VanDerWaalsContact CA-CZ 3.5Å; Y226-R273 VanDerWaalsContact CA-NH2 3.32Å; Y226-R273 HydrophobicContact CD2-CB 4.18Å; Y226-R273 HydrophobicContact CE2-CB 4.39Å; Y226-Y275 HydrophobicContact CD1-CD2 4.23Å; Y226-Y275 AromaticContact CD1-CE2 3.82Å; Y226-Y275 HydrophobicContact CD1-CE2 3.82Å; Y226-Y275 HydrophobicContact CD2-CD2 4.19Å; Y226-Y275 AromaticContact CD2-CE2 3.51Å; Y226-Y275 HydrophobicContact CD2-CE2 3.51Å; Y226-Y275 AromaticContact CE1-CD2 3.75Å; Y226-Y275 HydrophobicContact CE1-CD2 3.75Å; Y226-Y275 AromaticContact CE1-CE2 3.81Å; Y226-Y275 HydrophobicContact CE1-CE2 3.81Å; Y226-Y275 AromaticContact CE2-CD2 3.68Å; Y226-Y275 HydrophobicContact CE2-CD2 3.68Å; Y226-Y275 AromaticContact CE2-CE2 3.47Å; Y226-Y275 HydrophobicContact CE2-CE2 3.47Å; Y226-Y275 VanDerWaalsContact CE2-CE2 3.47Å; Y226-Y275 HydrophobicContact CG-CD2 4.43Å; Y226-Y275 AromaticContact CG-CE2 3.66Å; Y226-Y275 HydrophobicContact CG-CE2 3.66Å; Y226-Y275 AromaticContact CZ-CD2 3.44Å; Y226-Y275 VanDerWaalsContact CZ-CD2 3.44Å; Y226-Y275 AromaticContact CZ-CE2 3.64Å
227	T	89.5	Confident	89.2	Confident	50 Å²	50	20.2 Å²	20.2	31%	0.307	13%	0.131	S	C	.	.			trans	-125.9	134.3	169.6	50.4	0	0	0	0	107.8	D229	T227-D229 PolarHBondContact O-N 3.18Å; T227-D229 VanDerWaalsContact O-N 3.16Å; T227-D229 PolarHBondContact OG1-OD1 3.02Å; T227-D229 VanDerWaalsContact OG1-OD1 3.14Å
228	A	93.3	Very high	89.4	Confident	0 Å²	0	16.8 Å²	16.8	0%	0	12%	0.119	C	C	.	.			trans	-70	109.9	167.8	0	0	0	0	0	107.6	R178 L209 I212 T213 Y226 T268	R178-A228 PolarHBondContact NH2-O 2.79Å; R178-A228 VanDerWaalsContact NH2-O 3.13Å; L209-A228 HydrophobicContact CB-CB 4.34Å; L209-A228 HydrophobicContact CD2-CB 3.92Å; I212-A228 HydrophobicContact CB-CB 4.29Å; I212-A228 HydrophobicContact CG2-CB 3.96Å; T213-A228 WeakPolarHBondContact OG1-CB 3Å; T213-A228 PolarHBondContact OG1-N 2.94Å; Y226-A228 HydrophobicContact CE1-CB 4.44Å; A228-T268 WeakPolarHBondContact CB-OG1 3.28Å
229	D	93.1	Very high	89.8	Confident	7 Å²	7	12.7 Å²	12.7	4%	0.037	10%	0.099	C	C	.	.			trans	-98.1	-33.4	176.3	-67.2	-23	0	0	0	110.8	R178 Y181 T227 T269	R178-D229 PolarHBondContact N-O 3.37Å; R178-D229 IonicContact NE-OD1 3.82Å; Y181-D229 HydrophobicContact CD2-CB 4.31Å; Y181-D229 HydrophobicContact CE2-CB 3.54Å; Y181-D229 VanDerWaalsContact CE2-CG 3.4Å; Y181-D229 VanDerWaalsContact OH-CG 3.25Å; Y181-D229 PolarHBondContact OH-OD2 2.58Å; T227-D229 PolarHBondContact O-N 3.18Å; T227-D229 VanDerWaalsContact O-N 3.16Å; T227-D229 PolarHBondContact OG1-OD1 3.02Å; T227-D229 VanDerWaalsContact OG1-OD1 3.14Å; D229-T269 PolarHBondContact N-O 2.79Å
230	Y	94.5	Very high	90.1	Very high	20 Å²	20	12.5 Å²	12.5	8%	0.078	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	147.4	174.9	-52.6	-83	0	0	0	110.3	F103 I176 T177 Y181 T268 T269 E271	F103-Y230 HydrophobicContact CB-CD1 3.77Å; F103-Y230 HydrophobicContact CB-CD2 3.83Å; F103-Y230 HydrophobicContact CB-CE1 3.98Å; F103-Y230 HydrophobicContact CB-CE2 4.03Å; F103-Y230 HydrophobicContact CB-CG 3.7Å; F103-Y230 AromaticContact CD1-CD1 3.5Å; F103-Y230 HydrophobicContact CD1-CD1 3.5Å; F103-Y230 VanDerWaalsContact CD1-CD1 3.5Å; F103-Y230 HydrophobicContact CD1-CE1 4.36Å; F103-Y230 AromaticContact CD1-CG 3.61Å; F103-Y230 HydrophobicContact CD1-CG 3.61Å; F103-Y230 HydrophobicContact CD2-CD2 4.45Å; F103-Y230 HydrophobicContact CD2-CG 4.11Å; F103-Y230 HydrophobicContact CE1-CD1 4.29Å; F103-Y230 HydrophobicContact CE1-CG 4.26Å; F103-Y230 AromaticContact CG-CD1 3.77Å; F103-Y230 HydrophobicContact CG-CD1 3.77Å; F103-Y230 HydrophobicContact CG-CD2 4.03Å; F103-Y230 HydrophobicContact CG-CE1 4.47Å; F103-Y230 AromaticContact CG-CG 3.53Å; F103-Y230 HydrophobicContact CG-CG 3.53Å; I176-Y230 CarbonylContact O-C 3.45Å; I176-Y230 WeakPolarHBondContact O-CA 3.03Å; T177-Y230 HydrophobicContact CG2-CD1 3.83Å; T177-Y230 HydrophobicContact CG2-CE1 4.21Å; Y181-Y230 WeakPolarHBondContact CB-OH 3.42Å; Y230-T268 VanDerWaalsContact O-CA 3.27Å; Y230-T268 WeakPolarHBondContact O-CA 3.47Å; Y230-T268 PolarHBondContact O-OG1 3.14Å; Y230-T269 PolarHBondContact N-O 3.17Å; Y230-T269 PolarHBondContact O-N 2.9Å; Y230-E271 HydrophobicContact CD2-CG 4.13Å; Y230-E271 HydrophobicContact CE2-CG 3.84Å
231	A	96.6	Very high	90.4	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	145.4	167.4	0	0	0	0	0	112.3	I175 I176 L209 I212 V266 L267	I175-A231 CarbonylContact C-O 3.49Å; I175-A231 WeakPolarHBondContact CA-O 3.14Å; I176-A231 HydrophobicContact CB-CB 4.35Å; I176-A231 PolarHBondContact N-O 3.29Å; I176-A231 PolarHBondContact O-N 3.29Å; L209-A231 HydrophobicContact CD2-CB 3.91Å; I212-A231 HydrophobicContact CD1-CB 4.05Å; A231-V266 HydrophobicContact CB-CG1 4.19Å; A231-L267 CarbonylContact C-O 3.54Å; A231-L267 WeakPolarHBondContact CA-O 3.26Å
232	L	96.5	Very high	90.5	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	120.8	163.5	172.9	71.1	0	0	0	107.3	L101 T115 Y173 R174 I175 V234 V266 L267	L101-L232 HydrophobicContact CD2-CD2 4.23Å; T115-L232 HydrophobicContact CG2-CD2 3.83Å; Y173-L232 HydrophobicContact CD2-CD1 4.36Å; R174-L232 WeakPolarHBondContact O-CA 3.42Å; I175-L232 HydrophobicContact CG1-CD1 3.78Å; L232-V234 HydrophobicContact CD1-CG2 4.3Å; L232-V234 HydrophobicContact CD2-CG2 4.01Å; L232-V234 HydrophobicContact CG-CG2 3.86Å; L232-V266 CarbonylContact O-C 3.54Å; L232-V266 VanDerWaalsContact O-CA 3.3Å; L232-V266 WeakPolarHBondContact O-CA 3.28Å; L232-L267 HydrophobicContact CB-CB 4.24Å; L232-L267 HydrophobicContact CD2-CD1 3.96Å; L232-L267 HydrophobicContact CD2-CG 4.49Å; L232-L267 PolarHBondContact N-O 2.91Å; L232-L267 PolarHBondContact O-N 3.34Å
233	V	97.5	Very high	90.8	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	128.2	173.7	-178.7	0	0	0	0	107.9	Y173 R174 I176 Q264 V266	Y173-V233 CarbonylContact C-O 3.59Å; Y173-V233 WeakPolarHBondContact CA-O 3.37Å; R174-V233 HydrophobicContact CG-CB 4.21Å; R174-V233 PolarHBondContact N-O 3.38Å; R174-V233 PolarHBondContact O-N 3.15Å; I176-V233 HydrophobicContact CD1-CG2 3.7Å; V233-Q264 HydrophobicContact CG1-CG 3.99Å; V233-V266 HydrophobicContact CG1-CG2 4.3Å; V233-V266 HydrophobicContact CG2-CG1 4.19Å; V233-V266 HydrophobicContact CG2-CG2 4.08Å
234	V	97.4	Very high	91	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	124.7	174.6	-170	0	0	0	0	108.7	I117 V123 V171 W172 L232 W236 Q264 M265	I117-V234 HydrophobicContact CD1-CB 4.48Å; I117-V234 HydrophobicContact CD1-CG1 4.07Å; I117-V234 HydrophobicContact CD1-CG2 3.59Å; I117-V234 HydrophobicContact CG1-CG2 4.28Å; I117-V234 HydrophobicContact CG2-CG1 3.75Å; V123-V234 HydrophobicContact CG2-CG2 4.26Å; V171-V234 HydrophobicContact CG1-CG1 4.29Å; W172-V234 CarbonylContact O-C 3.51Å; W172-V234 VanDerWaalsContact O-CA 3.28Å; W172-V234 WeakPolarHBondContact O-CA 3.33Å; L232-V234 HydrophobicContact CD1-CG2 4.3Å; L232-V234 HydrophobicContact CD2-CG2 4.01Å; L232-V234 HydrophobicContact CG-CG2 3.86Å; V234-W236 HydrophobicContact CB-CH2 3.89Å; V234-W236 HydrophobicContact CB-CZ3 3.93Å; V234-W236 HydrophobicContact CG1-CD2 4.38Å; V234-W236 HydrophobicContact CG1-CE3 4.17Å; V234-W236 HydrophobicContact CG1-CH2 3.46Å; V234-W236 VanDerWaalsContact CG1-CH2 3.46Å; V234-W236 HydrophobicContact CG1-CZ2 3.68Å; V234-W236 HydrophobicContact CG1-CZ3 3.72Å; V234-Q264 CarbonylContact O-C 3.59Å; V234-Q264 VanDerWaalsContact O-CA 3.29Å; V234-Q264 WeakPolarHBondContact O-CA 3.25Å; V234-Q264 WeakPolarHBondContact O-CG 3.34Å; V234-M265 PolarHBondContact N-O 3.1Å; V234-M265 PolarHBondContact O-N 3.25Å
235	T	97.6	Very high	91.3	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	120.6	-177.8	-49.3	0	0	0	0	110.4	L77 F80 V171 W172 Q264	L77-T235 HydrophobicContact CD1-CG2 4.5Å; F80-T235 HydrophobicContact CD1-CG2 3.89Å; F80-T235 HydrophobicContact CD2-CG2 3.75Å; F80-T235 HydrophobicContact CE1-CG2 3.95Å; F80-T235 HydrophobicContact CE2-CG2 3.81Å; F80-T235 HydrophobicContact CG-CG2 3.79Å; F80-T235 HydrophobicContact CZ-CG2 3.91Å; V171-T235 WeakPolarHBondContact CA-O 3.24Å; W172-T235 PolarHBondContact N-O 3.08Å; W172-T235 PolarHBondContact O-N 2.82Å; T235-Q264 HydrophobicContact CG2-CB 4.21Å; T235-Q264 WeakPolarHBondContact OG1-CG 2.92Å; T235-Q264 PolarHBondContact OG1-NE2 2.87Å
236	W	96.5	Very high	91.5	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	105.7	170.9	-67.8	-96.7	0	0	0	107.7	I117 Y118 P119 V123 A153 V171 V234 M239 T262 Y263 M265	I117-W236 HydrophobicContact CG2-CZ2 4.37Å; Y118-W236 PolarHBondContact O-NE1 2.9Å; P119-W236 PolarHBondContact O-NE1 3.46Å; V123-W236 HydrophobicContact CG2-CH2 4.1Å; V123-W236 HydrophobicContact CG2-CZ2 4.49Å; A153-W236 HydrophobicContact CB-CZ3 4.17Å; V171-W236 HydrophobicContact CG1-CG 4.34Å; V171-W236 HydrophobicContact CG2-CG 4.28Å; V234-W236 HydrophobicContact CB-CH2 3.89Å; V234-W236 HydrophobicContact CB-CZ3 3.93Å; V234-W236 HydrophobicContact CG1-CD2 4.38Å; V234-W236 HydrophobicContact CG1-CE3 4.17Å; V234-W236 HydrophobicContact CG1-CH2 3.46Å; V234-W236 VanDerWaalsContact CG1-CH2 3.46Å; V234-W236 HydrophobicContact CG1-CZ2 3.68Å; V234-W236 HydrophobicContact CG1-CZ3 3.72Å; W236-M239 HydrophobicContact CB-CG 3.71Å; W236-M239 HydrophobicContact CG-CG 4.36Å; W236-T262 VanDerWaalsContact O-CA 3.28Å; W236-T262 WeakPolarHBondContact O-CA 3.44Å; W236-Y263 HydrophobicContact CB-CD1 4.41Å; W236-Y263 HydrophobicContact CB-CD2 4.31Å; W236-Y263 HydrophobicContact CB-CE1 3.9Å; W236-Y263 HydrophobicContact CB-CE2 3.82Å; W236-Y263 HydrophobicContact CD2-CD2 4.24Å; W236-Y263 AromaticContact CD2-CE2 3.49Å; W236-Y263 HydrophobicContact CD2-CE2 3.49Å; W236-Y263 VanDerWaalsContact CD2-CE2 3.49Å; W236-Y263 AromaticContact CD2-CZ 3.94Å; W236-Y263 AromaticContact CE3-CD2 3.62Å; W236-Y263 HydrophobicContact CE3-CD2 3.62Å; W236-Y263 AromaticContact CE3-CE2 3.27Å; W236-Y263 HydrophobicContact CE3-CE2 3.27Å; W236-Y263 HydrophobicContact CG-CE1 4.5Å; W236-Y263 AromaticContact CG-CE2 3.75Å; W236-Y263 HydrophobicContact CG-CE2 3.75Å; W236-Y263 AromaticContact CG-CZ 3.68Å; W236-Y263 HydrophobicContact CZ3-CD2 4.27Å; W236-Y263 AromaticContact CZ3-CE2 3.98Å; W236-Y263 HydrophobicContact CZ3-CE2 3.98Å; W236-Y263 PolarHBondContact N-O 3.42Å; W236-Y263 PolarHBondContact O-N 2.92Å; W236-Y263 VanDerWaalsContact O-N 3.08Å; W236-M265 HydrophobicContact CH2-CB 4.27Å; W236-M265 HydrophobicContact CH2-CE 4.19Å; W236-M265 HydrophobicContact CZ3-CB 3.8Å
237	E	95.3	Very high	90.8	Very high	7 Å²	7	23.1 Å²	23.1	3%	0.033	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	124	-176.7	179.7	-178.3	-163.9	0	0	110.4	R68 W74 F80 S169 H170 W172 M239	R68-E237 WeakPolarHBondContact CD-OE2 3.36Å; R68-E237 IonicContact CZ-OE2 3.71Å; R68-E237 IonicContact NE-OE2 2.86Å; R68-E237 IonicContact NH1-OE1 3.58Å; R68-E237 PolarHBondContact NH1-OE1 2.67Å; R68-E237 IonicContact NH1-OE2 3.04Å; R68-E237 PolarHBondContact NH1-OE2 2.87Å; W74-E237 HydrophobicContact CH2-CG 4.41Å; W74-E237 HydrophobicContact CZ3-CG 4.09Å; F80-E237 HydrophobicContact CE2-CB 4.18Å; F80-E237 HydrophobicContact CE2-CG 4.3Å; S169-E237 WeakPolarHBondContact CA-O 3.36Å; S169-E237 WeakPolarHBondContact CB-O 3.24Å; H170-E237 HydrophobicContact CB-CB 4.39Å; H170-E237 IonicContact CD2-OE2 2.76Å; H170-E237 PolarHBondContact N-O 3.26Å; H170-E237 VanDerWaalsContact N-O 3.08Å; H170-E237 PolarHBondContact O-N 2.87Å; W172-E237 PolarHBondContact NE1-OE2 3.49Å; E237-M239 PolarHBondContact O-N 3.15Å; E237-M239 VanDerWaalsContact O-N 3.08Å
238	R	92.9	Very high	89.9	Confident	25 Å²	25	27.9 Å²	27.9	9%	0.094	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	52.9	31.3	172.5	-63.6	-178.6	-172.7	-81.9	2.7	114.1	E72 W74 V161 S169 G240 Q260 N261 T262	E72-R238 IonicContact OE1-CZ 3.82Å; E72-R238 IonicContact OE1-NH1 3.6Å; E72-R238 PolarHBondContact OE1-NH1 3.46Å; E72-R238 IonicContact OE1-NH2 3.83Å; E72-R238 PolarHBondContact OE1-NH2 3.33Å; W74-R238 HydrophobicContact CH2-CG 3.86Å; V161-R238 WeakPolarHBondContact CG2-O 3.36Å; S169-R238 PolarHBondContact OG-O 3.36Å; R238-G240 PolarHBondContact O-N 3.08Å; R238-Q260 HydrophobicContact CB-CB 4.36Å; R238-Q260 HydrophobicContact CB-CG 4.24Å; R238-N261 CarbonylContact C-O 3.51Å; R238-N261 WeakPolarHBondContact CA-O 3.4Å; R238-N261 PolarHBondContact N-O 3.21Å; R238-T262 PolarHBondContact N-OG1 3.29Å
239	M	93.5	Very high	88.9	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	135.2	180	-64.8	-55.4	-68.6	0	0	110	P119 Q158 F160 V171 W236 E237 Q260 N261 Y285	P119-M239 HydrophobicContact CB-CE 4.45Å; Q158-M239 HydrophobicContact CB-CE 4.21Å; F160-M239 HydrophobicContact CD1-CE 4.38Å; F160-M239 HydrophobicContact CD1-SD 4.25Å; F160-M239 HydrophobicContact CD2-CE 4.14Å; F160-M239 HydrophobicContact CE1-CE 4.41Å; F160-M239 HydrophobicContact CE1-SD 4.27Å; F160-M239 HydrophobicContact CE2-CE 4.18Å; F160-M239 HydrophobicContact CG-CE 4.26Å; F160-M239 HydrophobicContact CZ-CE 4.32Å; V171-M239 HydrophobicContact CG2-CE 4.21Å; V171-M239 HydrophobicContact CG2-SD 3.81Å; W236-M239 HydrophobicContact CB-CG 3.71Å; W236-M239 HydrophobicContact CG-CG 4.36Å; E237-M239 PolarHBondContact O-N 3.15Å; E237-M239 VanDerWaalsContact O-N 3.08Å; M239-Q260 WeakPolarHBondContact O-CA 3.49Å; M239-N261 PolarHBondContact N-O 3.24Å; M239-N261 PolarHBondContact O-N 2.91Å; M239-Y285 WeakPolarHBondContact O-CE1 3.23Å; M239-Y285 PolarHBondContact O-OH 3.48Å
240	G	91.9	Very high	87.7	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	163.1	173.9	0	0	0	0	0	112.3	Q158 S159 R238 W259 Y285	Q158-G240 CarbonylContact C-O 3.57Å; Q158-G240 VanDerWaalsContact CA-O 3.27Å; Q158-G240 WeakPolarHBondContact CA-O 2.8Å; S159-G240 PolarHBondContact N-O 3.46Å; S159-G240 PolarHBondContact O-N 3.41Å; R238-G240 PolarHBondContact O-N 3.08Å; G240-W259 WeakPolarHBondContact CA-O 3.43Å; G240-Y285 PolarHBondContact O-OH 3.46Å
241	Y	89.6	Confident	86.6	Confident	9 Å²	9	43 Å²	43	4%	0.035	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	149.9	173.7	67.1	-87.8	0	0	0	111.6	S159 G243 Q244 W259 Y285	S159-Y241 PolarHBondContact OG-O 2.86Å; Y241-G243 PolarHBondContact O-N 3.43Å; Y241-Q244 HydrophobicContact CD1-CB 4.11Å; Y241-Q244 HydrophobicContact CD2-CB 4.39Å; Y241-Q244 HydrophobicContact CE1-CB 3.87Å; Y241-Q244 HydrophobicContact CE2-CB 4.18Å; Y241-Q244 HydrophobicContact CG-CB 4.36Å; Y241-Q244 WeakPolarHBondContact O-CB 3.2Å; Y241-Q244 WeakPolarHBondContact O-CG 3.46Å; Y241-Q244 PolarHBondContact O-N 3.48Å; Y241-Q244 VanDerWaalsContact O-N 3.11Å; Y241-W259 HydrophobicContact CD1-CB 4.03Å; Y241-W259 HydrophobicContact CE1-CB 3.74Å; Y241-W259 AromaticContact CE1-CD1 3.64Å; Y241-W259 AromaticContact CE1-CG 3.81Å; Y241-W259 HydrophobicContact CE1-CG 3.81Å; Y241-Y285 HydrophobicContact CD1-CD1 4.31Å; Y241-Y285 HydrophobicContact CD1-CG 4.09Å; Y241-Y285 HydrophobicContact CG-CD2 4.44Å; Y241-Y285 HydrophobicContact CG-CG 4.46Å
242	G	86.9	Confident	85.3	Confident	5 Å²	5	46.7 Å²	46.7	5%	0.052	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	119.7	173.2	0	0	0	0	0	110.8	D157 T289	D157-G242 PolarHBondContact O-N 3.16Å; G242-T289 WeakPolarHBondContact O-CB 2.91Å; G242-T289 PolarHBondContact O-N 3.41Å; G242-T289 PolarHBondContact O-OG1 3.28Å
243	G	85.8	Confident	84	Confident	57 Å²	57	49.6 Å²	49.6	59%	0.588	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.3	9.8	-174.8	0	0	0	0	0	115.6	Y241	Y241-G243 PolarHBondContact O-N 3.43Å
244	Q	85	Confident	82.8	Confident	26 Å²	26	55.4 Å²	55.4	12%	0.121	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-59.2	153.2	174.3	67	177.8	-23.9	0	0	113.3	S159 V161 Y241	S159-Q244 PolarHBondContact OG-NE2 3.45Å; V161-Q244 VanDerWaalsContact CG2-NE2 3.27Å; Y241-Q244 HydrophobicContact CD1-CB 4.11Å; Y241-Q244 HydrophobicContact CD2-CB 4.39Å; Y241-Q244 HydrophobicContact CE1-CB 3.87Å; Y241-Q244 HydrophobicContact CE2-CB 4.18Å; Y241-Q244 HydrophobicContact CG-CB 4.36Å; Y241-Q244 WeakPolarHBondContact O-CB 3.2Å; Y241-Q244 WeakPolarHBondContact O-CG 3.46Å; Y241-Q244 PolarHBondContact O-N 3.48Å; Y241-Q244 VanDerWaalsContact O-N 3.11Å
245	P	80.9	Confident	81.8	Confident	62 Å²	62	60 Å²	60	40%	0.403	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-60.3	148.9	173.1	-19.9	31.5	0	0	0	112.4	F247	P245-F247 HydrophobicContact CB-CE2 4.14Å; P245-F247 HydrophobicContact CB-CZ 3.8Å; P245-F247 HydrophobicContact CG-CZ 4.33Å; P245-F247 WeakPolarHBondContact O-CD2 3.35Å; P245-F247 WeakPolarHBondContact O-CE2 3.43Å
246	K	78.7	Confident	80.9	Confident	203 Å²	203	60 Å²	60	88%	0.883	31%	0.311	S	S	*	.	P	Polyproline II helix	trans	-87.3	138.4	171.7	-68.4	-172.6	176.4	-173.6	0	110.1
247	F	73.7	Confident	80.2	Confident	15 Å²	15	62.6 Å²	62.6	7%	0.066	32%	0.323	C	S	.	.	B	Isolated β-bridge	trans	-112.4	134.8	178.9	-60.7	-81.4	0	0	0	110.1	V163 P245 E252 I256 W259	V163-F247 HydrophobicContact CG2-CB 4.38Å; P245-F247 HydrophobicContact CB-CE2 4.14Å; P245-F247 HydrophobicContact CB-CZ 3.8Å; P245-F247 HydrophobicContact CG-CZ 4.33Å; P245-F247 WeakPolarHBondContact O-CD2 3.35Å; P245-F247 WeakPolarHBondContact O-CE2 3.43Å; F247-E252 HydrophobicContact CD1-CB 4.45Å; F247-E252 WeakPolarHBondContact CD1-OE2 3.46Å; F247-I256 HydrophobicContact CB-CD1 3.7Å; F247-I256 HydrophobicContact CB-CG1 4.1Å; F247-I256 HydrophobicContact CD1-CD1 4.29Å; F247-I256 HydrophobicContact CD1-CG1 3.79Å; F247-I256 HydrophobicContact CD2-CB 4.49Å; F247-I256 HydrophobicContact CD2-CD1 4.09Å; F247-I256 HydrophobicContact CD2-CG1 3.69Å; F247-I256 HydrophobicContact CD2-CG2 4.28Å; F247-I256 HydrophobicContact CE1-CG1 4.25Å; F247-I256 HydrophobicContact CE2-CG1 4.15Å; F247-I256 HydrophobicContact CG-CD1 3.73Å; F247-I256 HydrophobicContact CG-CG1 3.54Å; F247-I256 HydrophobicContact CZ-CG1 4.46Å; F247-W259 HydrophobicContact CE1-CH2 4.04Å; F247-W259 AromaticContact CE1-CZ3 3.58Å; F247-W259 HydrophobicContact CE1-CZ3 3.58Å; F247-W259 AromaticContact CE2-CE3 3.84Å; F247-W259 HydrophobicContact CE2-CE3 3.84Å; F247-W259 AromaticContact CE2-CZ3 3.69Å; F247-W259 HydrophobicContact CE2-CZ3 3.69Å; F247-W259 AromaticContact CZ-CE3 3.55Å; F247-W259 HydrophobicContact CZ-CE3 3.55Å; F247-W259 AromaticContact CZ-CH2 3.62Å; F247-W259 HydrophobicContact CZ-CH2 3.62Å; F247-W259 AromaticContact CZ-CZ3 2.95Å; F247-W259 HydrophobicContact CZ-CZ3 2.95Å
248	L	70.8	Confident	79.5	Confident	150 Å²	150	68.5 Å²	68.5	79%	0.785	35%	0.348	S	S	*	.			trans	-100.2	-28.9	-178.5	-65.9	174	0	0	0	112.5
249	Q	72.3	Confident	79.1	Confident	119 Å²	119	69.5 Å²	69.5	56%	0.556	35%	0.352	S	S	*	.			trans	-122.1	142.2	-173.2	-57.1	-179	48.8	0	0	111.3	D251	Q249-D251 VanDerWaalsContact C-N 3.33Å; Q249-D251 WeakPolarHBondContact CB-OD1 3.2Å
250	L	68.1	Low	79	Confident	100 Å²	100	69.7 Å²	69.7	52%	0.524	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-75.9	-17.9	-176.7	-79.9	158.5	0	0	0	113.2	V163 E252 F253	V163-L250 HydrophobicContact CB-CD2 3.97Å; V163-L250 HydrophobicContact CB-CG 4.27Å; V163-L250 HydrophobicContact CG1-CB 4.4Å; V163-L250 HydrophobicContact CG1-CD2 3.91Å; V163-L250 HydrophobicContact CG1-CG 3.7Å; V163-L250 HydrophobicContact CG2-CD2 4.32Å; L250-E252 PolarHBondContact O-N 3.07Å; L250-F253 VanDerWaalsContact O-CB 3.31Å; L250-F253 WeakPolarHBondContact O-CB 3.39Å; L250-F253 PolarHBondContact O-N 3.26Å
251	D	71.8	Confident	79.1	Confident	124 Å²	124	69.7 Å²	69.7	66%	0.663	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-68.6	-20.1	176.1	59.3	-24.3	0	0	0	113	Q249 F253	Q249-D251 VanDerWaalsContact C-N 3.33Å; Q249-D251 WeakPolarHBondContact CB-OD1 3.2Å; D251-F253 PolarHBondContact O-N 3.26Å
252	E	69	Low	79.5	Confident	79 Å²	79	69.3 Å²	69.3	37%	0.369	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-77.4	9.8	171.3	-63.9	-176.1	164.9	0	0	113.7	F247 L250 D254 Q255 I256	F247-E252 HydrophobicContact CD1-CB 4.45Å; F247-E252 WeakPolarHBondContact CD1-OE2 3.46Å; L250-E252 PolarHBondContact O-N 3.07Å; E252-D254 VanDerWaalsContact C-N 3.28Å; E252-D254 PolarHBondContact O-N 3.31Å; E252-D254 VanDerWaalsContact O-N 3.09Å; E252-Q255 WeakPolarHBondContact O-CA 3.39Å; E252-Q255 WeakPolarHBondContact O-CB 3.41Å; E252-Q255 PolarHBondContact O-N 3.33Å; E252-I256 WeakPolarHBondContact O-CG1 3.39Å; E252-I256 PolarHBondContact O-N 3.03Å
253	F	69.3	Low	80	Confident	61 Å²	61	69.1 Å²	69.1	27%	0.268	35%	0.349	S	S	.	.	H	α-helix	trans	-48.4	-42.8	-172.6	-161.9	-115	0	0	0	114.5	L168 L250 D251 Q255 I256 K257	L168-F253 HydrophobicContact CD1-CD2 4.41Å; L168-F253 HydrophobicContact CD1-CE2 3.99Å; L250-F253 VanDerWaalsContact O-CB 3.31Å; L250-F253 WeakPolarHBondContact O-CB 3.39Å; L250-F253 PolarHBondContact O-N 3.26Å; D251-F253 PolarHBondContact O-N 3.26Å; F253-Q255 VanDerWaalsContact C-N 3.28Å; F253-Q255 PolarHBondContact O-N 3.38Å; F253-I256 WeakPolarHBondContact O-CB 3.49Å; F253-I256 PolarHBondContact O-N 2.99Å; F253-I256 VanDerWaalsContact O-N 3.14Å; F253-K257 HydrophobicContact CD1-CD 4.44Å; F253-K257 HydrophobicContact CD1-CG 4.49Å; F253-K257 HydrophobicContact CE1-CD 4.35Å; F253-K257 HydrophobicContact CE1-CG 4.45Å; F253-K257 WeakPolarHBondContact O-CG 3.48Å; F253-K257 PolarHBondContact O-N 3.16Å
254	D	72.3	Confident	80.6	Confident	122 Å²	122	66.4 Å²	66.4	65%	0.652	32%	0.321	S	S	*	.	H	α-helix	trans	-67.2	-27.1	179.7	-75.2	-29.2	0	0	0	113.3	E252	E252-D254 VanDerWaalsContact C-N 3.28Å; E252-D254 PolarHBondContact O-N 3.31Å; E252-D254 VanDerWaalsContact O-N 3.09Å
255	Q	76.8	Confident	81.2	Confident	96 Å²	96	65.2 Å²	65.2	45%	0.449	32%	0.316	S	S	.	.	H	α-helix	trans	-71.6	-47.3	169.8	-64.1	-167.4	8.9	0	0	110	E252 F253 K257 K258 W259	E252-Q255 WeakPolarHBondContact O-CA 3.39Å; E252-Q255 WeakPolarHBondContact O-CB 3.41Å; E252-Q255 PolarHBondContact O-N 3.33Å; F253-Q255 VanDerWaalsContact C-N 3.28Å; F253-Q255 PolarHBondContact O-N 3.38Å; Q255-K257 VanDerWaalsContact C-N 3.25Å; Q255-K257 PolarHBondContact O-N 3.2Å; Q255-K258 VanDerWaalsContact O-CB 3.25Å; Q255-K258 WeakPolarHBondContact O-CB 3.45Å; Q255-K258 WeakPolarHBondContact O-CG 3.48Å; Q255-K258 PolarHBondContact O-N 2.82Å; Q255-W259 HydrophobicContact CB-CH2 3.95Å; Q255-W259 HydrophobicContact CB-CZ3 3.99Å; Q255-W259 WeakPolarHBondContact O-CZ3 3.37Å
256	I	78.1	Confident	82	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-53.9	-43.1	-178.5	-54.7	178.9	0	0	0	111.2	V161 V163 F247 E252 F253 K258 W259 Q260	V161-I256 HydrophobicContact CG1-CG2 3.75Å; V163-I256 HydrophobicContact CG2-CD1 3.44Å; V163-I256 VanDerWaalsContact CG2-CD1 3.44Å; F247-I256 HydrophobicContact CB-CD1 3.7Å; F247-I256 HydrophobicContact CB-CG1 4.1Å; F247-I256 HydrophobicContact CD1-CD1 4.29Å; F247-I256 HydrophobicContact CD1-CG1 3.79Å; F247-I256 HydrophobicContact CD2-CB 4.49Å; F247-I256 HydrophobicContact CD2-CD1 4.09Å; F247-I256 HydrophobicContact CD2-CG1 3.69Å; F247-I256 HydrophobicContact CD2-CG2 4.28Å; F247-I256 HydrophobicContact CE1-CG1 4.25Å; F247-I256 HydrophobicContact CE2-CG1 4.15Å; F247-I256 HydrophobicContact CG-CD1 3.73Å; F247-I256 HydrophobicContact CG-CG1 3.54Å; F247-I256 HydrophobicContact CZ-CG1 4.46Å; E252-I256 WeakPolarHBondContact O-CG1 3.39Å; E252-I256 PolarHBondContact O-N 3.03Å; F253-I256 WeakPolarHBondContact O-CB 3.49Å; F253-I256 PolarHBondContact O-N 2.99Å; F253-I256 VanDerWaalsContact O-N 3.14Å; I256-K258 PolarHBondContact O-N 2.95Å; I256-K258 VanDerWaalsContact O-N 3.08Å; I256-W259 PolarHBondContact O-N 3.05Å; I256-W259 VanDerWaalsContact O-N 3.11Å; I256-Q260 HydrophobicContact CG2-CG 4.48Å; I256-Q260 VanDerWaalsContact CG2-NE2 3.33Å
257	K	81.3	Confident	82.9	Confident	55 Å²	55	52.6 Å²	52.6	24%	0.239	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-54.1	-30.4	178.7	-72.5	-172.1	-173.4	-165	0	113.6	E72 F253 Q255 W259 Q260 N284	E72-K257 VanDerWaalsContact CD-NZ 3.3Å; E72-K257 WeakPolarHBondContact OE1-CE 3.41Å; E72-K257 IonicContact OE1-NZ 3.45Å; E72-K257 PolarHBondContact OE1-NZ 2.75Å; E72-K257 IonicContact OE2-NZ 2.63Å; E72-K257 PolarHBondContact OE2-NZ 3.04Å; F253-K257 HydrophobicContact CD1-CD 4.44Å; F253-K257 HydrophobicContact CD1-CG 4.49Å; F253-K257 HydrophobicContact CE1-CD 4.35Å; F253-K257 HydrophobicContact CE1-CG 4.45Å; F253-K257 WeakPolarHBondContact O-CG 3.48Å; F253-K257 PolarHBondContact O-N 3.16Å; Q255-K257 VanDerWaalsContact C-N 3.25Å; Q255-K257 PolarHBondContact O-N 3.2Å; K257-W259 PolarHBondContact O-N 2.88Å; K257-W259 VanDerWaalsContact O-N 3.07Å; K257-Q260 PolarHBondContact O-N 3.38Å; K257-N284 PolarHBondContact O-ND2 3.38Å
258	K	81.9	Confident	84	Confident	130 Å²	130	51.9 Å²	51.9	57%	0.565	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-64	-13.6	-178.3	-63.2	176.2	-177.7	174.2	0	113.7	Q255 I256 N284	Q255-K258 VanDerWaalsContact O-CB 3.25Å; Q255-K258 WeakPolarHBondContact O-CB 3.45Å; Q255-K258 WeakPolarHBondContact O-CG 3.48Å; Q255-K258 PolarHBondContact O-N 2.82Å; I256-K258 PolarHBondContact O-N 2.95Å; I256-K258 VanDerWaalsContact O-N 3.08Å; K258-N284 WeakPolarHBondContact O-CB 3.34Å
259	W	83.4	Confident	85.1	Confident	47 Å²	47	44.8 Å²	44.8	18%	0.178	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-122	15	-178.4	-49.4	-64.1	0	0	0	113	G240 Y241 F247 Q255 I256 K257 Y285	G240-W259 WeakPolarHBondContact CA-O 3.43Å; Y241-W259 HydrophobicContact CD1-CB 4.03Å; Y241-W259 HydrophobicContact CE1-CB 3.74Å; Y241-W259 AromaticContact CE1-CD1 3.64Å; Y241-W259 AromaticContact CE1-CG 3.81Å; Y241-W259 HydrophobicContact CE1-CG 3.81Å; F247-W259 HydrophobicContact CE1-CH2 4.04Å; F247-W259 AromaticContact CE1-CZ3 3.58Å; F247-W259 HydrophobicContact CE1-CZ3 3.58Å; F247-W259 AromaticContact CE2-CE3 3.84Å; F247-W259 HydrophobicContact CE2-CE3 3.84Å; F247-W259 AromaticContact CE2-CZ3 3.69Å; F247-W259 HydrophobicContact CE2-CZ3 3.69Å; F247-W259 AromaticContact CZ-CE3 3.55Å; F247-W259 HydrophobicContact CZ-CE3 3.55Å; F247-W259 AromaticContact CZ-CH2 3.62Å; F247-W259 HydrophobicContact CZ-CH2 3.62Å; F247-W259 AromaticContact CZ-CZ3 2.95Å; F247-W259 HydrophobicContact CZ-CZ3 2.95Å; Q255-W259 HydrophobicContact CB-CH2 3.95Å; Q255-W259 HydrophobicContact CB-CZ3 3.99Å; Q255-W259 WeakPolarHBondContact O-CZ3 3.37Å; I256-W259 PolarHBondContact O-N 3.05Å; I256-W259 VanDerWaalsContact O-N 3.11Å; K257-W259 PolarHBondContact O-N 2.88Å; K257-W259 VanDerWaalsContact O-N 3.07Å; W259-Y285 WeakPolarHBondContact O-CD1 3.44Å; W259-Y285 WeakPolarHBondContact O-CE1 3.12Å
260	Q	91.4	Very high	86	Confident	3 Å²	3	39.9 Å²	39.9	1%	0.014	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	137.4	-180	-70.4	-178.6	-12.6	0	0	111.6	V161 R238 M239 I256 K257 N282	V161-Q260 HydrophobicContact CG2-CG 4.18Å; R238-Q260 HydrophobicContact CB-CB 4.36Å; R238-Q260 HydrophobicContact CB-CG 4.24Å; M239-Q260 WeakPolarHBondContact O-CA 3.49Å; I256-Q260 HydrophobicContact CG2-CG 4.48Å; I256-Q260 VanDerWaalsContact CG2-NE2 3.33Å; K257-Q260 PolarHBondContact O-N 3.38Å; Q260-N282 PolarHBondContact O-ND2 3.42Å
261	N	94.8	Very high	87	Confident	0 Å²	0	36 Å²	36	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	138.9	172.3	-73.6	0.5	0	0	0	109.6	F154 R238 M239 Y263 N282 I283 N284 Y285	F154-N261 WeakPolarHBondContact CE1-ND2 3.45Å; F154-N261 VanDerWaalsContact CZ-ND2 3.3Å; F154-N261 WeakPolarHBondContact CZ-ND2 3.42Å; R238-N261 CarbonylContact C-O 3.51Å; R238-N261 WeakPolarHBondContact CA-O 3.4Å; R238-N261 PolarHBondContact N-O 3.21Å; M239-N261 PolarHBondContact N-O 3.24Å; M239-N261 PolarHBondContact O-N 2.91Å; N261-Y263 HydrophobicContact CB-CD1 4.28Å; N261-Y263 HydrophobicContact CB-CE1 4.22Å; N261-N282 CarbonylContact C-O 3.5Å; N261-N282 WeakPolarHBondContact CA-O 3.35Å; N261-I283 HydrophobicContact CB-CD1 3.91Å; N261-I283 WeakPolarHBondContact OD1-CA 3.44Å; N261-N284 PolarHBondContact OD1-N 2.82Å; N261-Y285 HydrophobicContact CB-CD1 4.29Å; N261-Y285 HydrophobicContact CB-CE1 3.6Å; N261-Y285 VanDerWaalsContact ND2-CE1 3.32Å; N261-Y285 WeakPolarHBondContact ND2-CE1 3.43Å; N261-Y285 WeakPolarHBondContact ND2-CE2 3.5Å; N261-Y285 VanDerWaalsContact ND2-CZ 3.29Å; N261-Y285 PolarHBondContact ND2-O 3.29Å; N261-Y285 WeakPolarHBondContact OD1-CD1 3.26Å; N261-Y285 WeakPolarHBondContact OD1-CE1 3.46Å; N261-Y285 PolarHBondContact OD1-N 3.47Å
262	T	96.5	Very high	87.7	Confident	1 Å²	1	35.4 Å²	35.4	1%	0.006	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	122.6	174	-60.3	0	0	0	0	110.1	W74 L77 W236 R238 A281 N282	W74-T262 HydrophobicContact CD2-CG2 4.06Å; W74-T262 HydrophobicContact CE3-CG2 3.82Å; W74-T262 HydrophobicContact CH2-CG2 3.91Å; W74-T262 VanDerWaalsContact CH2-OG1 3.26Å; W74-T262 WeakPolarHBondContact CH2-OG1 3.27Å; W74-T262 HydrophobicContact CZ2-CG2 4.12Å; W74-T262 WeakPolarHBondContact CZ2-OG1 3.32Å; W74-T262 HydrophobicContact CZ3-CG2 3.76Å; L77-T262 HydrophobicContact CD1-CG2 3.91Å; W236-T262 VanDerWaalsContact O-CA 3.28Å; W236-T262 WeakPolarHBondContact O-CA 3.44Å; R238-T262 PolarHBondContact N-OG1 3.29Å; T262-A281 HydrophobicContact CG2-CB 4.38Å; T262-A281 PolarHBondContact O-N 3.18Å; T262-N282 PolarHBondContact N-O 3.39Å; T262-N282 PolarHBondContact O-N 3Å; T262-N282 VanDerWaalsContact O-N 3.13Å
263	Y	97.7	Very high	88.6	Confident	1 Å²	1	34.5 Å²	34.5	0%	0.004	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	161.6	-178.8	56.5	-85.6	0	0	0	111.4	G121 A153 F154 Q158 W236 N261 N279 Y280 I283	G121-Y263 WeakPolarHBondContact CA-OH 3.19Å; A153-Y263 HydrophobicContact CB-CD2 3.88Å; A153-Y263 HydrophobicContact CB-CE2 3.83Å; F154-Y263 HydrophobicContact CB-CD1 4.38Å; F154-Y263 HydrophobicContact CB-CD2 4.31Å; F154-Y263 HydrophobicContact CB-CE1 3.85Å; F154-Y263 HydrophobicContact CB-CE2 3.74Å; F154-Y263 HydrophobicContact CD1-CE1 4.35Å; F154-Y263 HydrophobicContact CG-CE1 4.24Å; Q158-Y263 VanDerWaalsContact CD-OH 3.31Å; Q158-Y263 PolarHBondContact NE2-OH 3.01Å; Q158-Y263 PolarHBondContact OE1-OH 3.35Å; W236-Y263 HydrophobicContact CB-CD1 4.41Å; W236-Y263 HydrophobicContact CB-CD2 4.31Å; W236-Y263 HydrophobicContact CB-CE1 3.9Å; W236-Y263 HydrophobicContact CB-CE2 3.82Å; W236-Y263 HydrophobicContact CD2-CD2 4.24Å; W236-Y263 AromaticContact CD2-CE2 3.49Å; W236-Y263 HydrophobicContact CD2-CE2 3.49Å; W236-Y263 VanDerWaalsContact CD2-CE2 3.49Å; W236-Y263 AromaticContact CD2-CZ 3.94Å; W236-Y263 AromaticContact CE3-CD2 3.62Å; W236-Y263 HydrophobicContact CE3-CD2 3.62Å; W236-Y263 AromaticContact CE3-CE2 3.27Å; W236-Y263 HydrophobicContact CE3-CE2 3.27Å; W236-Y263 HydrophobicContact CG-CE1 4.5Å; W236-Y263 AromaticContact CG-CE2 3.75Å; W236-Y263 HydrophobicContact CG-CE2 3.75Å; W236-Y263 AromaticContact CG-CZ 3.68Å; W236-Y263 HydrophobicContact CZ3-CD2 4.27Å; W236-Y263 AromaticContact CZ3-CE2 3.98Å; W236-Y263 HydrophobicContact CZ3-CE2 3.98Å; W236-Y263 PolarHBondContact N-O 3.42Å; W236-Y263 PolarHBondContact O-N 2.92Å; W236-Y263 VanDerWaalsContact O-N 3.08Å; N261-Y263 HydrophobicContact CB-CD1 4.28Å; N261-Y263 HydrophobicContact CB-CE1 4.22Å; Y263-N279 CarbonylContact C-O 3.59Å; Y263-N279 VanDerWaalsContact CA-O 3.24Å; Y263-N279 WeakPolarHBondContact CA-O 3.36Å; Y263-N279 WeakPolarHBondContact CB-O 3.38Å; Y263-Y280 HydrophobicContact CG-CD1 4.26Å; Y263-Y280 HydrophobicContact CG-CE1 4.37Å; Y263-I283 HydrophobicContact CD1-CD1 3.94Å
264	Q	98	Very high	89.8	Confident	1 Å²	1	31.6 Å²	31.6	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	139.5	-175.5	179.3	-177.8	75	0	0	110.8	L77 Y78 V233 V234 T235 V266 N279	L77-Q264 HydrophobicContact CD2-CB 3.93Å; Y78-Q264 PolarHBondContact O-NE2 3.09Å; V233-Q264 HydrophobicContact CG1-CG 3.99Å; V234-Q264 CarbonylContact O-C 3.59Å; V234-Q264 VanDerWaalsContact O-CA 3.29Å; V234-Q264 WeakPolarHBondContact O-CA 3.25Å; V234-Q264 WeakPolarHBondContact O-CG 3.34Å; T235-Q264 HydrophobicContact CG2-CB 4.21Å; T235-Q264 WeakPolarHBondContact OG1-CG 2.92Å; T235-Q264 PolarHBondContact OG1-NE2 2.87Å; Q264-V266 HydrophobicContact CG-CG2 4.22Å; Q264-N279 HydrophobicContact CB-CB 4.29Å; Q264-N279 PolarHBondContact N-O 3.45Å; Q264-N279 PolarHBondContact O-N 2.85Å; Q264-N279 PolarHBondContact OE1-ND2 3.12Å; Q264-N279 VanDerWaalsContact OE1-ND2 3.13Å
265	M	97.9	Very high	90.9	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	134.8	168.9	-179.4	-174.6	-59.4	0	0	109.1	V123 I151 A153 V234 W236 L267 V276 L277 L278	V123-M265 HydrophobicContact CB-CE 4.5Å; V123-M265 HydrophobicContact CB-SD 4.05Å; V123-M265 HydrophobicContact CG2-CE 4.3Å; V123-M265 HydrophobicContact CG2-SD 3.8Å; I151-M265 HydrophobicContact CB-CE 4.09Å; I151-M265 HydrophobicContact CB-SD 4.25Å; I151-M265 HydrophobicContact CG2-CE 3.42Å; I151-M265 VanDerWaalsContact CG2-CE 3.42Å; I151-M265 HydrophobicContact CG2-SD 3.71Å; I151-M265 WeakPolarHBondContact O-CE 3.13Å; A153-M265 HydrophobicContact CB-CB 4.48Å; A153-M265 HydrophobicContact CB-CE 3.49Å; A153-M265 VanDerWaalsContact CB-CE 3.49Å; V234-M265 PolarHBondContact N-O 3.1Å; V234-M265 PolarHBondContact O-N 3.25Å; W236-M265 HydrophobicContact CH2-CB 4.27Å; W236-M265 HydrophobicContact CH2-CE 4.19Å; W236-M265 HydrophobicContact CZ3-CB 3.8Å; M265-L267 HydrophobicContact CG-CD2 3.98Å; M265-L267 HydrophobicContact SD-CD2 3.73Å; M265-L267 HydrophobicContact SD-CG 4.31Å; M265-V276 HydrophobicContact CG-CG1 4.19Å; M265-L277 CarbonylContact C-O 3.57Å; M265-L277 WeakPolarHBondContact CA-O 3.06Å; M265-L278 HydrophobicContact CB-CD2 3.97Å; M265-L278 HydrophobicContact CE-CD2 4.08Å; M265-L278 HydrophobicContact CG-CD2 3.78Å
266	V	97.9	Very high	91.7	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	115	168.8	-175.2	0	0	0	0	109.2	Y78 I212 A231 L232 V233 Q264 V276 L277	Y78-V266 HydrophobicContact CD2-CG2 3.63Å; Y78-V266 HydrophobicContact CE2-CG2 4.01Å; I212-V266 HydrophobicContact CD1-CG1 4.05Å; A231-V266 HydrophobicContact CB-CG1 4.19Å; L232-V266 CarbonylContact O-C 3.54Å; L232-V266 VanDerWaalsContact O-CA 3.3Å; L232-V266 WeakPolarHBondContact O-CA 3.28Å; V233-V266 HydrophobicContact CG1-CG2 4.3Å; V233-V266 HydrophobicContact CG2-CG1 4.19Å; V233-V266 HydrophobicContact CG2-CG2 4.08Å; Q264-V266 HydrophobicContact CG-CG2 4.22Å; V266-V276 CarbonylContact O-C 3.6Å; V266-V276 WeakPolarHBondContact O-CA 3.34Å; V266-L277 HydrophobicContact CB-CB 4.17Å; V266-L277 PolarHBondContact N-O 3.31Å; V266-L277 PolarHBondContact O-N 3.04Å
267	L	97.4	Very high	92.6	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.005	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	128.2	166.8	-49.7	-174.3	0	0	0	107.3	F105 V123 F125 I151 A231 L232 M265 V276	F105-L267 HydrophobicContact CD2-CB 4.36Å; F105-L267 HydrophobicContact CE2-CB 3.77Å; F105-L267 HydrophobicContact CZ-CB 4.07Å; F105-L267 HydrophobicContact CZ-CD2 4.18Å; V123-L267 HydrophobicContact CG1-CD1 4.36Å; F125-L267 HydrophobicContact CZ-CD1 4.18Å; I151-L267 HydrophobicContact CD1-CD1 4.43Å; I151-L267 HydrophobicContact CD1-CD2 3.55Å; A231-L267 CarbonylContact C-O 3.54Å; A231-L267 WeakPolarHBondContact CA-O 3.26Å; L232-L267 HydrophobicContact CB-CB 4.24Å; L232-L267 HydrophobicContact CD2-CD1 3.96Å; L232-L267 HydrophobicContact CD2-CG 4.49Å; L232-L267 PolarHBondContact N-O 2.91Å; L232-L267 PolarHBondContact O-N 3.34Å; M265-L267 HydrophobicContact CG-CD2 3.98Å; M265-L267 HydrophobicContact SD-CD2 3.73Å; M265-L267 HydrophobicContact SD-CG 4.31Å; L267-V276 HydrophobicContact CD2-CB 4.35Å; L267-V276 HydrophobicContact CD2-CG1 4.01Å; L267-V276 HydrophobicContact CD2-CG2 3.68Å
268	T	96.5	Very high	93.3	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	144.5	178.1	-178.3	0	0	0	0	111.4	I212 Y226 A228 Y230 S274 Y275 L277	I212-T268 HydrophobicContact CG2-CG2 3.8Å; Y226-T268 VanDerWaalsContact OH-CG2 3.29Å; Y226-T268 WeakPolarHBondContact OH-CG2 3.29Å; Y226-T268 PolarHBondContact OH-OG1 2.98Å; A228-T268 WeakPolarHBondContact CB-OG1 3.28Å; Y230-T268 VanDerWaalsContact O-CA 3.27Å; Y230-T268 WeakPolarHBondContact O-CA 3.47Å; Y230-T268 PolarHBondContact O-OG1 3.14Å; T268-S274 CarbonylContact O-C 3.17Å; T268-S274 WeakPolarHBondContact O-CA 2.8Å; T268-Y275 PolarHBondContact N-O 3.38Å; T268-Y275 PolarHBondContact O-N 2.67Å; T268-L277 HydrophobicContact CG2-CD1 3.73Å
269	T	94.8	Very high	94	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	158	-175.7	-170.5	0	0	0	0	113.3	F103 F105 Y226 D229 Y230 E271 R273 S274	F103-T269 HydrophobicContact CD2-CG2 3.58Å; F103-T269 HydrophobicContact CE2-CG2 3.67Å; F105-T269 HydrophobicContact CD2-CG2 3.99Å; Y226-T269 PolarHBondContact OH-N 3.38Å; D229-T269 PolarHBondContact N-O 2.79Å; Y230-T269 PolarHBondContact N-O 3.17Å; Y230-T269 PolarHBondContact O-N 2.9Å; T269-E271 WeakPolarHBondContact OG1-CA 3.09Å; T269-E271 PolarHBondContact OG1-N 2.89Å; T269-R273 VanDerWaalsContact CA-O 3.24Å; T269-R273 WeakPolarHBondContact CA-O 3.38Å; T269-R273 WeakPolarHBondContact CB-O 3.33Å; T269-R273 PolarHBondContact OG1-O 3.01Å; T269-S274 PolarHBondContact OG1-OG 3.48Å
270	D	91.3	Very high	94.6	Very high	16 Å²	16	10.3 Å²	10.3	9%	0.086	5%	0.046	C	C	.	.			trans	-106.6	21	163.8	63.2	4.7	0	0	0	111.5	Y226 H272 R273	Y226-D270 HydrophobicContact CE2-CB 4.3Å; D270-H272 PolarHBondContact O-N 2.8Å; D270-H272 VanDerWaalsContact O-N 3.12Å; D270-H272 WeakPolarHBondContact OD1-CA 3.08Å; D270-H272 WeakPolarHBondContact OD1-CB 3.42Å; D270-H272 PolarHBondContact OD1-N 3.04Å; D270-R273 PolarHBondContact N-O 3.42Å; D270-R273 PolarHBondContact OD1-N 3.09Å; D270-R273 IonicContact OD1-NE 3.79Å; D270-R273 IonicContact OD2-CZ 2.71Å; D270-R273 IonicContact OD2-NE 3.51Å; D270-R273 PolarHBondContact OD2-NE 3.34Å; D270-R273 IonicContact OD2-NH2 3.73Å; D270-R273 PolarHBondContact OD2-NH2 3.44Å
271	E	90.1	Very high	94.8	Very high	20 Å²	20	11.1 Å²	11.1	9%	0.093	5%	0.054	C	C	.	.	S	Bend	trans	65.5	-3	-171	-50	-168.4	106.4	0	0	116.2	F103 Y104 P106 K184 Y230 T269	F103-E271 HydrophobicContact CB-CG 4.39Å; Y104-E271 WeakPolarHBondContact CD2-OE1 3Å; Y104-E271 PolarHBondContact N-OE1 2.88Å; Y104-E271 WeakPolarHBondContact O-CA 3.48Å; P106-E271 WeakPolarHBondContact CG-O 3.45Å; K184-E271 IonicContact NZ-OE2 2.84Å; K184-E271 PolarHBondContact NZ-OE2 3.27Å; Y230-E271 HydrophobicContact CD2-CG 4.13Å; Y230-E271 HydrophobicContact CE2-CG 3.84Å; T269-E271 WeakPolarHBondContact OG1-CA 3.09Å; T269-E271 PolarHBondContact OG1-N 2.89Å
272	H	85.3	Confident	94.8	Very high	111 Å²	111	13.3 Å²	13.3	51%	0.514	7%	0.065	S	C	.	.	S	Bend	trans	-116.7	-34.8	178.5	-66.7	-60.6	0	0	0	113.1	D270	D270-H272 PolarHBondContact O-N 2.8Å; D270-H272 VanDerWaalsContact O-N 3.12Å; D270-H272 WeakPolarHBondContact OD1-CA 3.08Å; D270-H272 WeakPolarHBondContact OD1-CB 3.42Å; D270-H272 PolarHBondContact OD1-N 3.04Å
273	R	88.8	Confident	94.6	Very high	59 Å²	59	13.5 Å²	13.5	22%	0.223	7%	0.066	C	C	.	.	S	Bend	trans	-126	137	178.9	-64.4	172.2	-75.3	-165.6	-5	107.6	G224 G225 Y226 T269 D270 Y275 M346	G224-R273 PolarHBondContact O-NH1 3.3Å; G224-R273 VanDerWaalsContact O-NH1 3.15Å; G225-R273 PolarHBondContact O-NH2 2.85Å; Y226-R273 VanDerWaalsContact CA-CZ 3.5Å; Y226-R273 VanDerWaalsContact CA-NH2 3.32Å; Y226-R273 HydrophobicContact CD2-CB 4.18Å; Y226-R273 HydrophobicContact CE2-CB 4.39Å; T269-R273 VanDerWaalsContact CA-O 3.24Å; T269-R273 WeakPolarHBondContact CA-O 3.38Å; T269-R273 WeakPolarHBondContact CB-O 3.33Å; T269-R273 PolarHBondContact OG1-O 3.01Å; D270-R273 PolarHBondContact N-O 3.42Å; D270-R273 PolarHBondContact OD1-N 3.09Å; D270-R273 IonicContact OD1-NE 3.79Å; D270-R273 IonicContact OD2-CZ 2.71Å; D270-R273 IonicContact OD2-NE 3.51Å; D270-R273 PolarHBondContact OD2-NE 3.34Å; D270-R273 IonicContact OD2-NH2 3.73Å; D270-R273 PolarHBondContact OD2-NH2 3.44Å; R273-Y275 HydrophobicContact CB-CE2 4.04Å; R273-M346 HydrophobicContact CG-CE 4.4Å; R273-M346 HydrophobicContact CG-SD 4.18Å
274	S	93.7	Very high	94.3	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	144.3	179.1	-63.1	0	0	0	0	110.4	P106 T268 T269 F345	P106-S274 WeakPolarHBondContact CD-OG 3.41Å; P106-S274 WeakPolarHBondContact O-CB 3.42Å; P106-S274 PolarHBondContact O-OG 3.32Å; T268-S274 CarbonylContact O-C 3.17Å; T268-S274 WeakPolarHBondContact O-CA 2.8Å; T269-S274 PolarHBondContact OG1-OG 3.48Å; S274-F345 PolarHBondContact N-O 2.93Å; S274-F345 VanDerWaalsContact N-O 3.11Å; S274-F345 PolarHBondContact O-N 3.19Å
275	Y	94.6	Very high	94	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	146.9	172.7	-57.4	-98.6	0	0	0	109.8	V216 M220 T223 Y226 T268 R273 I342 A343 K344	V216-Y275 HydrophobicContact CG1-CD1 3.82Å; V216-Y275 HydrophobicContact CG1-CD2 4.28Å; V216-Y275 HydrophobicContact CG1-CE1 3.74Å; V216-Y275 HydrophobicContact CG1-CE2 4.24Å; V216-Y275 HydrophobicContact CG1-CG 4.09Å; V216-Y275 HydrophobicContact CG2-CG 4.43Å; M220-Y275 HydrophobicContact SD-CD1 4.18Å; M220-Y275 HydrophobicContact SD-CE1 3.88Å; T223-Y275 HydrophobicContact CG2-CE1 4.06Å; Y226-Y275 HydrophobicContact CD1-CD2 4.23Å; Y226-Y275 AromaticContact CD1-CE2 3.82Å; Y226-Y275 HydrophobicContact CD1-CE2 3.82Å; Y226-Y275 HydrophobicContact CD2-CD2 4.19Å; Y226-Y275 AromaticContact CD2-CE2 3.51Å; Y226-Y275 HydrophobicContact CD2-CE2 3.51Å; Y226-Y275 AromaticContact CE1-CD2 3.75Å; Y226-Y275 HydrophobicContact CE1-CD2 3.75Å; Y226-Y275 AromaticContact CE1-CE2 3.81Å; Y226-Y275 HydrophobicContact CE1-CE2 3.81Å; Y226-Y275 AromaticContact CE2-CD2 3.68Å; Y226-Y275 HydrophobicContact CE2-CD2 3.68Å; Y226-Y275 AromaticContact CE2-CE2 3.47Å; Y226-Y275 HydrophobicContact CE2-CE2 3.47Å; Y226-Y275 VanDerWaalsContact CE2-CE2 3.47Å; Y226-Y275 HydrophobicContact CG-CD2 4.43Å; Y226-Y275 AromaticContact CG-CE2 3.66Å; Y226-Y275 HydrophobicContact CG-CE2 3.66Å; Y226-Y275 AromaticContact CZ-CD2 3.44Å; Y226-Y275 VanDerWaalsContact CZ-CD2 3.44Å; Y226-Y275 AromaticContact CZ-CE2 3.64Å; T268-Y275 PolarHBondContact N-O 3.38Å; T268-Y275 PolarHBondContact O-N 2.67Å; R273-Y275 HydrophobicContact CB-CE2 4.04Å; Y275-I342 HydrophobicContact CD1-CG2 4.33Å; Y275-A343 CarbonylContact C-O 3.59Å; Y275-A343 VanDerWaalsContact CA-O 3.23Å; Y275-A343 WeakPolarHBondContact CA-O 3.38Å; Y275-K344 HydrophobicContact CD1-CB 3.77Å; Y275-K344 HydrophobicContact CD1-CG 4.12Å; Y275-K344 HydrophobicContact CE1-CB 3.65Å; Y275-K344 HydrophobicContact CE1-CD 3.98Å; Y275-K344 HydrophobicContact CE1-CG 3.64Å
276	V	95	Very high	93.8	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.006	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	121.8	172.6	-178.9	0	0	0	0	107.4	F105 I151 M265 V266 L267 L278 F307 I342 A343 F345	F105-V276 HydrophobicContact CZ-CG2 4.12Å; I151-V276 HydrophobicContact CD1-CG2 3.91Å; I151-V276 HydrophobicContact CG2-CG1 4.07Å; M265-V276 HydrophobicContact CG-CG1 4.19Å; V266-V276 CarbonylContact O-C 3.6Å; V266-V276 WeakPolarHBondContact O-CA 3.34Å; L267-V276 HydrophobicContact CD2-CB 4.35Å; L267-V276 HydrophobicContact CD2-CG1 4.01Å; L267-V276 HydrophobicContact CD2-CG2 3.68Å; V276-L278 HydrophobicContact CG1-CD2 3.86Å; V276-L278 HydrophobicContact CG1-CG 4.18Å; V276-F307 HydrophobicContact CG1-CE1 4.21Å; V276-F307 HydrophobicContact CG1-CZ 4.48Å; V276-I342 WeakPolarHBondContact O-CA 3.41Å; V276-A343 PolarHBondContact N-O 3.04Å; V276-A343 PolarHBondContact O-N 3.48Å; V276-F345 HydrophobicContact CB-CD2 4.36Å; V276-F345 HydrophobicContact CB-CE2 3.76Å; V276-F345 HydrophobicContact CG2-CD2 3.65Å; V276-F345 HydrophobicContact CG2-CE2 3.28Å; V276-F345 HydrophobicContact CG2-CZ 4.13Å
277	L	95.8	Very high	93.4	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	123.7	172.8	-61	75.3	0	0	0	108.1	Y78 V216 M265 V266 T268 W341 I342	Y78-L277 HydrophobicContact CE2-CD2 4Å; V216-L277 HydrophobicContact CG2-CD1 4.14Å; V216-L277 HydrophobicContact CG2-CD2 4.47Å; M265-L277 CarbonylContact C-O 3.57Å; M265-L277 WeakPolarHBondContact CA-O 3.06Å; V266-L277 HydrophobicContact CB-CB 4.17Å; V266-L277 PolarHBondContact N-O 3.31Å; V266-L277 PolarHBondContact O-N 3.04Å; T268-L277 HydrophobicContact CG2-CD1 3.73Å; L277-W341 CarbonylContact C-O 3.46Å; L277-W341 VanDerWaalsContact CA-O 3.28Å; L277-W341 WeakPolarHBondContact CA-O 3.23Å; L277-I342 HydrophobicContact CD2-CD1 4.22Å; L277-I342 HydrophobicContact CD2-CG1 4.36Å; L277-I342 HydrophobicContact CG-CD1 4.35Å; L277-I342 HydrophobicContact CG-CG1 4.03Å
278	L	95.8	Very high	93	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.005	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	115.7	173	-56.8	-179.1	0	0	0	108.2	A153 M265 V276 Y280 I305 F307 F318 R340 W341	A153-L278 HydrophobicContact CB-CD2 3.92Å; M265-L278 HydrophobicContact CB-CD2 3.97Å; M265-L278 HydrophobicContact CE-CD2 4.08Å; M265-L278 HydrophobicContact CG-CD2 3.78Å; V276-L278 HydrophobicContact CG1-CD2 3.86Å; V276-L278 HydrophobicContact CG1-CG 4.18Å; L278-Y280 HydrophobicContact CB-CE2 3.76Å; L278-I305 HydrophobicContact CD1-CG2 4.11Å; L278-F307 HydrophobicContact CD1-CE1 4.39Å; L278-F318 HydrophobicContact CD1-CD1 4.21Å; L278-F318 HydrophobicContact CD1-CE1 3.65Å; L278-F318 HydrophobicContact CD1-CZ 4.06Å; L278-R340 WeakPolarHBondContact O-CA 3.33Å; L278-W341 HydrophobicContact CB-CB 4.35Å; L278-W341 PolarHBondContact N-O 3.32Å; L278-W341 PolarHBondContact O-N 3.38Å
279	N	97.3	Very high	92.6	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	115.8	179.6	-57.7	-42.6	0	0	0	109.2	L77 Y263 Q264 G339 R340	L77-N279 HydrophobicContact CD2-CB 3.48Å; L77-N279 VanDerWaalsContact CD2-CB 3.48Å; L77-N279 WeakPolarHBondContact CD2-O 3.39Å; Y263-N279 CarbonylContact C-O 3.59Å; Y263-N279 VanDerWaalsContact CA-O 3.24Å; Y263-N279 WeakPolarHBondContact CA-O 3.36Å; Y263-N279 WeakPolarHBondContact CB-O 3.38Å; Q264-N279 HydrophobicContact CB-CB 4.29Å; Q264-N279 PolarHBondContact N-O 3.45Å; Q264-N279 PolarHBondContact O-N 2.85Å; Q264-N279 PolarHBondContact OE1-ND2 3.12Å; Q264-N279 VanDerWaalsContact OE1-ND2 3.13Å; N279-G339 CarbonylContact C-O 3.24Å; N279-G339 WeakPolarHBondContact CA-O 3.27Å; N279-R340 WeakPolarHBondContact OD1-CB 3.37Å; N279-R340 WeakPolarHBondContact OD1-CD 3.01Å; N279-R340 WeakPolarHBondContact OD1-CG 3.35Å; N279-R340 PolarHBondContact OD1-NE 3.33Å
280	Y	96.8	Very high	92	Very high	1 Å²	1	20.9 Å²	20.9	0%	0.004	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	112.7	177.6	-60.1	-83.5	0	0	0	109.2	N76 A153 F154 Y263 L278 I283 I305 L329 G339 W341	N76-Y280 PolarHBondContact ND2-O 3.45Å; A153-Y280 WeakPolarHBondContact O-CE1 3.35Å; A153-Y280 PolarHBondContact O-OH 2.87Å; F154-Y280 HydrophobicContact CD2-CE1 4.46Å; Y263-Y280 HydrophobicContact CG-CD1 4.26Å; Y263-Y280 HydrophobicContact CG-CE1 4.37Å; L278-Y280 HydrophobicContact CB-CE2 3.76Å; Y280-I283 HydrophobicContact CD1-CD1 3.88Å; Y280-I283 HydrophobicContact CD1-CG1 3.96Å; Y280-I283 HydrophobicContact CG-CG1 4.49Å; Y280-I305 VanDerWaalsContact OH-CG2 3.24Å; Y280-I305 WeakPolarHBondContact OH-CG2 2.81Å; Y280-L329 HydrophobicContact CD1-CB 4.39Å; Y280-L329 HydrophobicContact CD2-CB 3.7Å; Y280-L329 HydrophobicContact CE1-CD1 4.21Å; Y280-L329 HydrophobicContact CE2-CB 3.94Å; Y280-L329 HydrophobicContact CE2-CD1 4.1Å; Y280-L329 HydrophobicContact CE2-CD2 4.37Å; Y280-L329 HydrophobicContact CE2-CG 4.38Å; Y280-L329 HydrophobicContact CG-CB 3.93Å; Y280-G339 PolarHBondContact N-O 3.08Å; Y280-W341 AromaticContact CD2-CD1 3.64Å; Y280-W341 AromaticContact CD2-NE1 3.88Å; Y280-W341 AromaticContact CE2-CD1 3.7Å
281	A	95.3	Very high	91.7	Very high	21 Å²	21	20.3 Å²	20.3	17%	0.174	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	-43.7	177.5	0	0	0	0	0	111.3	W74 L77 T262	W74-A281 HydrophobicContact CB-CB 4.01Å; W74-A281 HydrophobicContact CD2-CB 4.31Å; W74-A281 HydrophobicContact CG-CB 3.71Å; L77-A281 HydrophobicContact CD1-CB 3.82Å; L77-A281 HydrophobicContact CD2-CB 3.94Å; L77-A281 HydrophobicContact CG-CB 3.9Å; T262-A281 HydrophobicContact CG2-CB 4.38Å; T262-A281 PolarHBondContact O-N 3.18Å
282	N	93.8	Very high	91.5	Very high	45 Å²	45	21.7 Å²	21.7	24%	0.241	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	130	180	-178.6	32.3	0	0	0	111.1	Q260 N261 T262 N284	Q260-N282 PolarHBondContact O-ND2 3.42Å; N261-N282 CarbonylContact C-O 3.5Å; N261-N282 WeakPolarHBondContact CA-O 3.35Å; T262-N282 PolarHBondContact N-O 3.39Å; T262-N282 PolarHBondContact O-N 3Å; T262-N282 VanDerWaalsContact O-N 3.13Å; N282-N284 PolarHBondContact ND2-ND2 3.4Å; N282-N284 PolarHBondContact OD1-OD1 2.72Å
283	I	93.4	Very high	91.5	Very high	6 Å²	6	16.5 Å²	16.5	3%	0.031	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	98.8	177.5	-59.7	-65.4	0	0	0	108.4	F154 N261 Y263 Y280 Y285 Y327	F154-I283 HydrophobicContact CD2-CD1 4.19Å; F154-I283 HydrophobicContact CE2-CD1 4.09Å; F154-I283 HydrophobicContact CE2-CG2 3.82Å; F154-I283 HydrophobicContact CZ-CG2 3.99Å; N261-I283 HydrophobicContact CB-CD1 3.91Å; N261-I283 WeakPolarHBondContact OD1-CA 3.44Å; Y263-I283 HydrophobicContact CD1-CD1 3.94Å; Y280-I283 HydrophobicContact CD1-CD1 3.88Å; Y280-I283 HydrophobicContact CD1-CG1 3.96Å; Y280-I283 HydrophobicContact CG-CG1 4.49Å; I283-Y285 WeakPolarHBondContact CG2-O 3.24Å; I283-Y327 VanDerWaalsContact O-CB 3.22Å; I283-Y327 WeakPolarHBondContact O-CB 3.46Å
284	N	91.5	Very high	91.2	Very high	47 Å²	47	21.3 Å²	21.3	25%	0.251	13%	0.134	S	C	.	.			trans	-95.9	-37.8	-176.6	-77.7	-29.8	0	0	0	113	K257 K258 N261 N282 R297	K257-N284 PolarHBondContact O-ND2 3.38Å; K258-N284 WeakPolarHBondContact O-CB 3.34Å; N261-N284 PolarHBondContact OD1-N 2.82Å; N282-N284 PolarHBondContact ND2-ND2 3.4Å; N282-N284 PolarHBondContact OD1-OD1 2.72Å; N284-R297 PolarHBondContact O-NE 2.95Å; N284-R297 PolarHBondContact O-NH2 3Å
285	Y	92.3	Very high	90.7	Very high	1 Å²	1	23.6 Å²	23.6	0%	0.004	16%	0.157	C	C	.	.			trans	-108	156.4	172.9	72.4	-92.7	0	0	0	111.1	F154 Q158 M239 G240 Y241 W259 N261 I283 G296	F154-Y285 HydrophobicContact CE1-CD2 4.35Å; F154-Y285 AromaticContact CE1-CE2 3.86Å; F154-Y285 HydrophobicContact CE1-CE2 3.86Å; F154-Y285 WeakPolarHBondContact CZ-O 3.27Å; Q158-Y285 WeakPolarHBondContact CG-OH 2.95Å; Q158-Y285 PolarHBondContact OE1-OH 3.2Å; M239-Y285 WeakPolarHBondContact O-CE1 3.23Å; M239-Y285 PolarHBondContact O-OH 3.48Å; G240-Y285 PolarHBondContact O-OH 3.46Å; Y241-Y285 HydrophobicContact CD1-CD1 4.31Å; Y241-Y285 HydrophobicContact CD1-CG 4.09Å; Y241-Y285 HydrophobicContact CG-CD2 4.44Å; Y241-Y285 HydrophobicContact CG-CG 4.46Å; W259-Y285 WeakPolarHBondContact O-CD1 3.44Å; W259-Y285 WeakPolarHBondContact O-CE1 3.12Å; N261-Y285 HydrophobicContact CB-CD1 4.29Å; N261-Y285 HydrophobicContact CB-CE1 3.6Å; N261-Y285 VanDerWaalsContact ND2-CE1 3.32Å; N261-Y285 WeakPolarHBondContact ND2-CE1 3.43Å; N261-Y285 WeakPolarHBondContact ND2-CE2 3.5Å; N261-Y285 VanDerWaalsContact ND2-CZ 3.29Å; N261-Y285 PolarHBondContact ND2-O 3.29Å; N261-Y285 WeakPolarHBondContact OD1-CD1 3.26Å; N261-Y285 WeakPolarHBondContact OD1-CE1 3.46Å; N261-Y285 PolarHBondContact OD1-N 3.47Å; I283-Y285 WeakPolarHBondContact CG2-O 3.24Å; Y285-G296 WeakPolarHBondContact CB-O 3.38Å
286	T	91.7	Very high	90.2	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.012	16%	0.157	C	C	.	.			trans	-124.1	-11.1	-176.8	60.7	0	0	0	0	113.6	G296 S302 A303 G324 S326 Y327	T286-G296 PolarHBondContact N-O 2.03Å; T286-S302 WeakPolarHBondContact O-CB 3.44Å; T286-A303 WeakPolarHBondContact O-CB 3.36Å; T286-A303 PolarHBondContact O-N 3.47Å; T286-G324 WeakPolarHBondContact CG2-O 3.17Å; T286-G324 PolarHBondContact OG1-O 2.77Å; T286-S326 WeakPolarHBondContact CB-OG 3.5Å; T286-S326 VanDerWaalsContact CG2-OG 3.26Å; T286-S326 WeakPolarHBondContact CG2-OG 3.21Å; T286-Y327 HydrophobicContact CG2-CD1 4.12Å
287	S	90	Very high	89.8	Confident	2 Å²	2	29.9 Å²	29.9	1%	0.014	18%	0.181	C	C	.	.			trans	-154.4	158.8	-174.3	-169.6	0	0	0	0	111.8	A291 G296 G298 Q301	S287-A291 WeakPolarHBondContact OG-CB 3.4Å; S287-G296 PolarHBondContact N-O 3.41Å; S287-G296 CarbonylContact O-C 3.4Å; S287-G296 VanDerWaalsContact O-C 3.24Å; S287-G296 WeakPolarHBondContact O-CA 3.41Å; S287-G296 VanDerWaalsContact O-O 3.07Å; S287-G298 WeakPolarHBondContact CB-O 3.36Å; S287-G298 PolarHBondContact OG-O 3.45Å; S287-Q301 PolarHBondContact OG-O 3.19Å
288	S	88.6	Confident	89.2	Confident	1 Å²	1	31.7 Å²	31.7	1%	0.007	20%	0.2	C	C	.	.			trans	-101.8	164.8	-178.9	65.2	0	0	0	0	112.4	D157 S290 A291 G292 A293	D157-S288 WeakPolarHBondContact O-CB 3.24Å; S288-S290 VanDerWaalsContact C-N 3.27Å; S288-S290 PolarHBondContact O-N 2.88Å; S288-S290 PolarHBondContact OG-OG 3.38Å; S288-A291 PolarHBondContact O-N 3.33Å; S288-A291 VanDerWaalsContact O-N 3.15Å; S288-A291 PolarHBondContact OG-N 3.49Å; S288-G292 PolarHBondContact O-N 2.95Å; S288-A293 WeakPolarHBondContact O-CB 3.4Å; S288-A293 PolarHBondContact O-N 2.84Å
289	T	88	Confident	88.6	Confident	67 Å²	67	34 Å²	34	41%	0.411	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-32.4	174.4	-56.1	0	0	0	0	111.9	G242 A291 G292	G242-T289 WeakPolarHBondContact O-CB 2.91Å; G242-T289 PolarHBondContact O-N 3.41Å; G242-T289 PolarHBondContact O-OG1 3.28Å; T289-A291 VanDerWaalsContact C-N 3.26Å; T289-A291 PolarHBondContact O-N 2.95Å; T289-G292 WeakPolarHBondContact O-CA 3.5Å; T289-G292 PolarHBondContact O-N 2.86Å
290	S	83.3	Confident	87.9	Confident	37 Å²	37	44.1 Å²	44.1	26%	0.259	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-30.2	173.1	47.9	0	0	0	0	113	D157 S288 G292	D157-S290 VanDerWaalsContact CB-OG 3.24Å; D157-S290 WeakPolarHBondContact CB-OG 3.29Å; D157-S290 WeakPolarHBondContact OD2-CB 3.12Å; D157-S290 PolarHBondContact OD2-OG 3.39Å; S288-S290 VanDerWaalsContact C-N 3.27Å; S288-S290 PolarHBondContact O-N 2.88Å; S288-S290 PolarHBondContact OG-OG 3.38Å; S290-G292 PolarHBondContact O-N 3.17Å
291	A	85.3	Confident	87.4	Confident	4 Å²	4	45.6 Å²	45.6	3%	0.033	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-1.9	169.9	0	0	0	0	0	113.3	P133 S287 S288 T289 G299 R300 Q301	P133-A291 HydrophobicContact CB-CB 4.18Å; P133-A291 HydrophobicContact CG-CB 4.09Å; S287-A291 WeakPolarHBondContact OG-CB 3.4Å; S288-A291 PolarHBondContact O-N 3.33Å; S288-A291 VanDerWaalsContact O-N 3.15Å; S288-A291 PolarHBondContact OG-N 3.49Å; T289-A291 VanDerWaalsContact C-N 3.26Å; T289-A291 PolarHBondContact O-N 2.95Å; A291-G299 CarbonylContact O-C 3.59Å; A291-G299 WeakPolarHBondContact O-CA 3.42Å; A291-R300 PolarHBondContact O-N 3.29Å; A291-Q301 WeakPolarHBondContact CB-O 3.42Å
292	G	85	Confident	87.2	Confident	50 Å²	50	45.1 Å²	45.1	52%	0.515	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.3	15	-177.5	0	0	0	0	0	114.6	S288 T289 S290 G299	S288-G292 PolarHBondContact O-N 2.95Å; T289-G292 WeakPolarHBondContact O-CA 3.5Å; T289-G292 PolarHBondContact O-N 2.86Å; S290-G292 PolarHBondContact O-N 3.17Å; G292-G299 WeakPolarHBondContact O-CA 3.37Å
293	A	85.6	Confident	87.1	Confident	2 Å²	2	43 Å²	43	2%	0.017	25%	0.253	C	S	.	.			trans	-75.1	143.3	177.1	0	0	0	0	0	112.3	S288 R297	S288-A293 WeakPolarHBondContact O-CB 3.4Å; S288-A293 PolarHBondContact O-N 2.84Å; A293-R297 WeakPolarHBondContact CB-O 3.49Å
294	L	81.8	Confident	87	Confident	160 Å²	160	43 Å²	43	84%	0.838	25%	0.253	S	S	*	.	B	Isolated β-bridge	trans	-107.9	123.6	169.3	-68.9	170.9	0	0	0	108.4	G296 R297	L294-G296 VanDerWaalsContact C-N 3.27Å; L294-G296 PolarHBondContact O-N 2.77Å; L294-R297 PolarHBondContact N-O 2.63Å
295	G	83.3	Confident	87	Confident	47 Å²	47	40.8 Å²	40.8	49%	0.485	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.9	23	-177.9	0	0	0	0	0	114.5
296	G	84.8	Confident	86.9	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.6	8	177.6	0	0	0	0	0	115.5	Y285 T286 S287 L294	Y285-G296 WeakPolarHBondContact CB-O 3.38Å; T286-G296 PolarHBondContact N-O 2.03Å; S287-G296 PolarHBondContact N-O 3.41Å; S287-G296 CarbonylContact O-C 3.4Å; S287-G296 VanDerWaalsContact O-C 3.24Å; S287-G296 WeakPolarHBondContact O-CA 3.41Å; S287-G296 VanDerWaalsContact O-O 3.07Å; L294-G296 VanDerWaalsContact C-N 3.27Å; L294-G296 PolarHBondContact O-N 2.77Å
297	R	86.7	Confident	87	Confident	133 Å²	133	40.6 Å²	40.6	50%	0.502	24%	0.24	S	C	.	.	B	Isolated β-bridge	trans	-134.1	148.5	177.5	-63.9	-174.4	178.5	-168.4	-2.1	111.8	N284 A293 L294	N284-R297 PolarHBondContact O-NE 2.95Å; N284-R297 PolarHBondContact O-NH2 3Å; A293-R297 WeakPolarHBondContact CB-O 3.49Å; L294-R297 PolarHBondContact N-O 2.63Å
298	G	83	Confident	87	Confident	39 Å²	39	40.5 Å²	40.5	40%	0.402	24%	0.24	S	C	.	.			trans	87	-152.4	-178.4	0	0	0	0	0	113.6	S287	S287-G298 WeakPolarHBondContact CB-O 3.36Å; S287-G298 PolarHBondContact OG-O 3.45Å
299	G	82.4	Confident	87	Confident	48 Å²	48	40.5 Å²	40.5	50%	0.495	24%	0.239	S	C	.	.	S	Bend	trans	90.4	-170.8	-173.8	0	0	0	0	0	113.7	A291 G292	A291-G299 CarbonylContact O-C 3.59Å; A291-G299 WeakPolarHBondContact O-CA 3.42Å; G292-G299 WeakPolarHBondContact O-CA 3.37Å
300	R	82.8	Confident	86.9	Confident	213 Å²	213	37.3 Å²	37.3	80%	0.804	22%	0.22	S	C	*	.	S	Bend	trans	-72.3	-32	-177.9	-66.8	-179.5	178.2	174.2	-0.4	112.9	A291	A291-R300 PolarHBondContact O-N 3.29Å
301	Q	86.8	Confident	86.9	Confident	32 Å²	32	38.6 Å²	38.6	15%	0.15	22%	0.224	C	C	.	.			trans	-154.1	137.4	178.8	-165.3	-176.1	43.7	0	0	109.6	P134 Y135 S287 A291 A322	P134-Q301 HydrophobicContact CB-CB 4.1Å; Y135-Q301 VanDerWaalsContact CD2-OE1 3.28Å; Y135-Q301 PolarHBondContact O-NE2 2.74Å; S287-Q301 PolarHBondContact OG-O 3.19Å; A291-Q301 WeakPolarHBondContact CB-O 3.42Å; Q301-A322 HydrophobicContact CG-CB 4.15Å
302	S	90.9	Very high	86.5	Confident	12 Å²	12	39.6 Å²	39.6	8%	0.084	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-86.2	173.9	171.9	-61.1	0	0	0	0	111.6	T286 I304 G324	T286-S302 WeakPolarHBondContact O-CB 3.44Å; S302-I304 PolarHBondContact O-N 2.8Å; S302-G324 WeakPolarHBondContact OG-CA 3.1Å; S302-G324 PolarHBondContact OG-N 2.92Å
303	A	91.2	Very high	86.3	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.008	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-50.5	140.1	178.4	0	0	0	0	0	112.2	F154 L155 C156 T286 A322	F154-A303 HydrophobicContact CD1-CB 3.86Å; F154-A303 HydrophobicContact CD2-CB 4.13Å; F154-A303 HydrophobicContact CE1-CB 3.56Å; F154-A303 HydrophobicContact CE2-CB 3.87Å; F154-A303 HydrophobicContact CG-CB 4.13Å; F154-A303 HydrophobicContact CZ-CB 3.58Å; L155-A303 VanDerWaalsContact O-CA 3.28Å; L155-A303 WeakPolarHBondContact O-CA 3.44Å; C156-A303 HydrophobicContact CB-CB 3.81Å; T286-A303 WeakPolarHBondContact O-CB 3.36Å; T286-A303 PolarHBondContact O-N 3.47Å; A303-A322 PolarHBondContact O-N 2.81Å
304	I	91.5	Very high	86.1	Confident	5 Å²	5	39.8 Å²	39.8	3%	0.026	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	134.2	178.6	-64.9	-177	0	0	0	109.2	Y135 F137 L155 S302 F315 A322	Y135-I304 HydrophobicContact CD2-CD1 3.59Å; Y135-I304 HydrophobicContact CD2-CG1 4.26Å; Y135-I304 HydrophobicContact CG-CD1 4.01Å; F137-I304 HydrophobicContact CD2-CD1 4.36Å; F137-I304 HydrophobicContact CE2-CD1 4.3Å; L155-I304 HydrophobicContact CB-CB 4.22Å; L155-I304 WeakPolarHBondContact CB-O 3.43Å; L155-I304 HydrophobicContact CD2-CB 4.35Å; L155-I304 PolarHBondContact N-O 3.19Å; L155-I304 PolarHBondContact O-N 3.07Å; S302-I304 PolarHBondContact O-N 2.8Å; I304-F315 HydrophobicContact CG2-CE1 4.38Å; I304-F315 HydrophobicContact CG2-CE2 4.26Å; I304-F315 HydrophobicContact CG2-CZ 3.55Å; I304-A322 HydrophobicContact CG1-CB 4.42Å
305	I	91.8	Very high	86.4	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	125	172.6	-56.2	90	0	0	0	107.1	A152 A153 F154 L278 Y280 F318 S321 L329	A152-I305 WeakPolarHBondContact O-CA 3.03Å; A153-I305 VanDerWaalsContact O-CG1 3.28Å; A153-I305 WeakPolarHBondContact O-CG1 3.4Å; F154-I305 HydrophobicContact CD2-CD1 4.2Å; F154-I305 HydrophobicContact CD2-CG1 4.29Å; L278-I305 HydrophobicContact CD1-CG2 4.11Å; Y280-I305 VanDerWaalsContact OH-CG2 3.24Å; Y280-I305 WeakPolarHBondContact OH-CG2 2.81Å; I305-F318 HydrophobicContact CB-CB 3.9Å; I305-F318 HydrophobicContact CB-CG 4.5Å; I305-F318 HydrophobicContact CG2-CB 3.62Å; I305-F318 HydrophobicContact CG2-CD1 3.67Å; I305-F318 HydrophobicContact CG2-CG 3.69Å; I305-F318 WeakPolarHBondContact O-CB 3.15Å; I305-F318 PolarHBondContact O-N 3.1Å; I305-S321 PolarHBondContact N-OG 2.66Å; I305-S321 VanDerWaalsContact O-CB 3.31Å; I305-S321 WeakPolarHBondContact O-CB 3.42Å; I305-S321 PolarHBondContact O-OG 3.14Å; I305-L329 HydrophobicContact CB-CD1 4.48Å; I305-L329 HydrophobicContact CD1-CD1 3.78Å; I305-L329 HydrophobicContact CG1-CD1 3.8Å
306	G	91.1	Very high	86.5	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	159.3	-171.2	-176.7	0	0	0	0	0	113.3	A152 Y316	A152-G306 PolarHBondContact N-O 2.86Å; A152-G306 PolarHBondContact O-N 3.11Å; A152-G306 VanDerWaalsContact O-N 3.11Å; G306-Y316 CarbonylContact C-O 3.6Å; G306-Y316 WeakPolarHBondContact CA-O 3.49Å
307	F	92.1	Very high	86.5	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	118.9	-169	-44.1	-56.1	0	0	0	109.6	F107 Y108 I151 V276 L278 F315 Y316 F318 A343 F345 V349	F107-F307 HydrophobicContact CE2-CB 4.21Å; F107-F307 HydrophobicContact CZ-CB 4.07Å; Y108-F307 HydrophobicContact CE2-CB 3.95Å; Y108-F307 PolarHBondContact OH-O 2.79Å; I151-F307 HydrophobicContact CB-CD1 4.28Å; I151-F307 HydrophobicContact CG1-CD1 4.3Å; I151-F307 HydrophobicContact CG2-CD1 3.64Å; I151-F307 HydrophobicContact CG2-CE1 3.66Å; V276-F307 HydrophobicContact CG1-CE1 4.21Å; V276-F307 HydrophobicContact CG1-CZ 4.48Å; L278-F307 HydrophobicContact CD1-CE1 4.39Å; F307-F315 CarbonylContact O-C 3.54Å; F307-F315 WeakPolarHBondContact O-CA 3.44Å; F307-F315 WeakPolarHBondContact O-CD2 3.37Å; F307-Y316 AromaticContact CD2-CD1 3.75Å; F307-Y316 HydrophobicContact CD2-CD1 3.75Å; F307-Y316 HydrophobicContact CD2-CG 4.24Å; F307-Y316 HydrophobicContact CE2-CD1 4.11Å; F307-Y316 PolarHBondContact N-O 2.85Å; F307-Y316 PolarHBondContact O-N 2.86Å; F307-F318 AromaticContact CD2-CE2 3.96Å; F307-F318 HydrophobicContact CD2-CE2 3.96Å; F307-F318 HydrophobicContact CE1-CE2 4.18Å; F307-F318 HydrophobicContact CE1-CZ 4.34Å; F307-F318 HydrophobicContact CE2-CD2 4.13Å; F307-F318 AromaticContact CE2-CE2 3.15Å; F307-F318 HydrophobicContact CE2-CE2 3.15Å; F307-F318 AromaticContact CE2-CZ 3.71Å; F307-F318 HydrophobicContact CE2-CZ 3.71Å; F307-F318 HydrophobicContact CZ-CD2 4.28Å; F307-F318 AromaticContact CZ-CE2 3.26Å; F307-F318 HydrophobicContact CZ-CE2 3.26Å; F307-F318 AromaticContact CZ-CZ 3.39Å; F307-F318 HydrophobicContact CZ-CZ 3.39Å; F307-A343 HydrophobicContact CE2-CB 3.52Å; F307-A343 HydrophobicContact CZ-CB 3.61Å; F307-F345 HydrophobicContact CB-CE1 3.93Å; F307-F345 HydrophobicContact CB-CZ 3.94Å; F307-F345 AromaticContact CD1-CZ 3.71Å; F307-F345 HydrophobicContact CD1-CZ 3.71Å; F307-F345 AromaticContact CD2-CE1 3.76Å; F307-F345 HydrophobicContact CD2-CE1 3.76Å; F307-F345 HydrophobicContact CD2-CE2 4.17Å; F307-F345 AromaticContact CD2-CZ 3.19Å; F307-F345 HydrophobicContact CD2-CZ 3.19Å; F307-F345 HydrophobicContact CE1-CE2 4.33Å; F307-F345 AromaticContact CE1-CZ 3.86Å; F307-F345 HydrophobicContact CE1-CZ 3.86Å; F307-F345 HydrophobicContact CE2-CE1 4.22Å; F307-F345 AromaticContact CE2-CE2 3.79Å; F307-F345 HydrophobicContact CE2-CE2 3.79Å; F307-F345 AromaticContact CE2-CZ 3.26Å; F307-F345 HydrophobicContact CE2-CZ 3.26Å; F307-F345 AromaticContact CG-CE1 3.87Å; F307-F345 HydrophobicContact CG-CE1 3.87Å; F307-F345 HydrophobicContact CG-CE2 4.48Å; F307-F345 AromaticContact CG-CZ 3.36Å; F307-F345 HydrophobicContact CG-CZ 3.36Å; F307-F345 AromaticContact CZ-CE2 3.9Å; F307-F345 HydrophobicContact CZ-CE2 3.9Å; F307-F345 AromaticContact CZ-CZ 3.63Å; F307-F345 HydrophobicContact CZ-CZ 3.63Å; F307-V349 HydrophobicContact CD2-CG1 3.83Å; F307-V349 HydrophobicContact CE2-CG1 3.97Å
308	N	91.7	Very high	86.4	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	120.6	174.4	-162.9	26.4	0	0	0	109.1	F107 D147 P148 S149 F150 G310 G314 F315	F107-N308 VanDerWaalsContact CE1-O 3.26Å; F107-N308 WeakPolarHBondContact CE1-O 2.98Å; D147-N308 PolarHBondContact OD1-ND2 2.71Å; P148-N308 PolarHBondContact O-ND2 2.72Å; S149-N308 WeakPolarHBondContact CA-O 3.43Å; F150-N308 HydrophobicContact CD1-CB 3.8Å; F150-N308 HydrophobicContact CE1-CB 3.4Å; F150-N308 VanDerWaalsContact CE1-CB 3.4Å; F150-N308 HydrophobicContact CE2-CB 4.34Å; F150-N308 HydrophobicContact CG-CB 4.4Å; F150-N308 HydrophobicContact CZ-CB 3.69Å; F150-N308 PolarHBondContact N-O 3.24Å; F150-N308 PolarHBondContact O-N 2.79Å; N308-G310 PolarHBondContact O-N 3.23Å; N308-G314 PolarHBondContact OD1-O 3Å; N308-F315 HydrophobicContact CB-CD2 3.89Å
309	G	87.8	Confident	86.1	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	-14.4	178.5	0	0	0	0	0	113.8	Y108 F110 G314	Y108-G309 VanDerWaalsContact CD2-CA 3.43Å; F110-G309 WeakPolarHBondContact CE2-O 3.18Å; G309-G314 PolarHBondContact N-O 3.49Å
310	G	87.1	Confident	86.3	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.15	C	C	.	.	S	Bend	trans	72.5	168.1	-177.6	0	0	0	0	0	113.6	D147 N308 G312 T313	D147-G310 CarbonylContact O-C 3.46Å; D147-G310 VanDerWaalsContact O-CA 3.26Å; D147-G310 WeakPolarHBondContact O-CA 3.36Å; D147-G310 VanDerWaalsContact OD2-CA 3.27Å; D147-G310 WeakPolarHBondContact OD2-CA 3.32Å; N308-G310 PolarHBondContact O-N 3.23Å; G310-G312 PolarHBondContact O-N 3.2Å; G310-G312 VanDerWaalsContact O-N 3.17Å; G310-T313 WeakPolarHBondContact O-CB 3.36Å; G310-T313 PolarHBondContact O-N 3.34Å; G310-T313 PolarHBondContact O-OG1 3.45Å
311	N	81.5	Confident	86.5	Confident	65 Å²	65	20.5 Å²	20.5	35%	0.348	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.4	38.2	-176.8	-67.2	-42.9	0	0	0	113.7	W142 D147 T313 K880	W142-N311 VanDerWaalsContact CE2-C 3.42Å; W142-N311 VanDerWaalsContact CE2-O 3.3Å; W142-N311 HydrophobicContact CZ2-CB 4.46Å; W142-N311 VanDerWaalsContact CZ2-O 3.28Å; W142-N311 WeakPolarHBondContact CZ2-O 3.35Å; D147-N311 PolarHBondContact O-N 3.2Å; D147-N311 PolarHBondContact OD2-N 2.89Å; N311-T313 VanDerWaalsContact C-N 3.28Å; N311-T313 PolarHBondContact O-N 3.01Å; N311-K880 PolarHBondContact O-NZ 2.86Å
312	G	78.6	Confident	86.5	Confident	25 Å²	25	20.4 Å²	20.4	26%	0.258	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.2	25.1	-178.6	0	0	0	0	0	113.6	D147 G310	D147-G312 WeakPolarHBondContact OD2-CA 3.44Å; D147-G312 PolarHBondContact OD2-N 3.12Å; G310-G312 PolarHBondContact O-N 3.2Å; G310-G312 VanDerWaalsContact O-N 3.17Å
313	T	79.3	Confident	86.3	Confident	34 Å²	34	27.2 Å²	27.2	21%	0.209	15%	0.145	C	C	.	.	S	Bend	trans	-78.6	-25	-177.6	-57.7	0	0	0	0	112.5	Y108 F110 G310 N311	Y108-T313 HydrophobicContact CD1-CG2 3.9Å; Y108-T313 HydrophobicContact CG-CG2 4.44Å; F110-T313 HydrophobicContact CE2-CG2 4.29Å; G310-T313 WeakPolarHBondContact O-CB 3.36Å; G310-T313 PolarHBondContact O-N 3.34Å; G310-T313 PolarHBondContact O-OG1 3.45Å; N311-T313 VanDerWaalsContact C-N 3.28Å; N311-T313 PolarHBondContact O-N 3.01Å
314	G	82.3	Confident	86	Confident	21 Å²	21	28.3 Å²	28.3	22%	0.216	16%	0.157	C	C	.	.			trans	130.9	154.4	-179.6	0	0	0	0	0	112.4	P138 N308 G309	P138-G314 VanDerWaalsContact CG-CA 3.46Å; N308-G314 PolarHBondContact OD1-O 3Å; G309-G314 PolarHBondContact N-O 3.49Å
315	F	87	Confident	85.8	Confident	46 Å²	46	29.5 Å²	29.5	20%	0.202	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	129.1	174.1	178.2	-110.4	0	0	0	109.6	F137 P138 I304 F307 N308 E317	F137-F315 HydrophobicContact CB-CB 3.79Å; F137-F315 HydrophobicContact CB-CD1 4.2Å; F137-F315 HydrophobicContact CB-CD2 3.7Å; F137-F315 HydrophobicContact CB-CE2 4.34Å; F137-F315 HydrophobicContact CB-CG 3.63Å; F137-F315 HydrophobicContact CG-CD2 4.42Å; F137-F315 WeakPolarHBondContact O-CB 3.45Å; P138-F315 HydrophobicContact CG-CB 4.32Å; I304-F315 HydrophobicContact CG2-CE1 4.38Å; I304-F315 HydrophobicContact CG2-CE2 4.26Å; I304-F315 HydrophobicContact CG2-CZ 3.55Å; F307-F315 CarbonylContact O-C 3.54Å; F307-F315 WeakPolarHBondContact O-CA 3.44Å; F307-F315 WeakPolarHBondContact O-CD2 3.37Å; N308-F315 HydrophobicContact CB-CD2 3.89Å; F315-E317 HydrophobicContact CD1-CB 4.14Å; F315-E317 HydrophobicContact CE1-CB 3.63Å; F315-E317 HydrophobicContact CE1-CG 3.98Å; F315-E317 HydrophobicContact CZ-CB 4.47Å
316	Y	86.5	Confident	85.7	Confident	26 Å²	26	29.5 Å²	29.5	10%	0.102	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	111.2	172.7	-175.3	-82.9	0	0	0	109.8	Y108 G306 F307 F318 V349 M351 R353 I367	Y108-Y316 WeakPolarHBondContact OH-CB 3.5Å; Y108-Y316 PolarHBondContact OH-N 2.81Å; G306-Y316 CarbonylContact C-O 3.6Å; G306-Y316 WeakPolarHBondContact CA-O 3.49Å; F307-Y316 AromaticContact CD2-CD1 3.75Å; F307-Y316 HydrophobicContact CD2-CD1 3.75Å; F307-Y316 HydrophobicContact CD2-CG 4.24Å; F307-Y316 HydrophobicContact CE2-CD1 4.11Å; F307-Y316 PolarHBondContact N-O 2.85Å; F307-Y316 PolarHBondContact O-N 2.86Å; Y316-F318 HydrophobicContact CD1-CD2 4.02Å; Y316-F318 HydrophobicContact CD1-CE2 4.03Å; Y316-F318 AromaticContact CE1-CD2 3.93Å; Y316-F318 HydrophobicContact CE1-CD2 3.93Å; Y316-F318 AromaticContact CE1-CE2 3.87Å; Y316-F318 HydrophobicContact CE1-CE2 3.87Å; Y316-V349 HydrophobicContact CD1-CG1 4.08Å; Y316-V349 HydrophobicContact CD2-CB 4.03Å; Y316-V349 HydrophobicContact CD2-CG1 4.06Å; Y316-V349 HydrophobicContact CE1-CG1 4.43Å; Y316-V349 HydrophobicContact CE2-CG1 4.4Å; Y316-V349 HydrophobicContact CG-CB 4.16Å; Y316-V349 HydrophobicContact CG-CG1 3.91Å; Y316-M351 HydrophobicContact CE1-CB 4.07Å; Y316-M351 HydrophobicContact CE1-CG 3.89Å; Y316-M351 VanDerWaalsContact OH-CB 3.23Å; Y316-M351 WeakPolarHBondContact OH-CB 2.94Å; Y316-R353 PolarHBondContact OH-NH2 2.62Å; Y316-I367 HydrophobicContact CE2-CD1 4.11Å
317	E	85	Confident	85.6	Confident	81 Å²	81	33.4 Å²	33.4	38%	0.379	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	134.5	-178.4	-169.8	172.3	-155.7	0	0	112.9	F315 S321	F315-E317 HydrophobicContact CD1-CB 4.14Å; F315-E317 HydrophobicContact CE1-CB 3.63Å; F315-E317 HydrophobicContact CE1-CG 3.98Å; F315-E317 HydrophobicContact CZ-CB 4.47Å; E317-S321 WeakPolarHBondContact OE1-CB 3.47Å; E317-S321 PolarHBondContact OE1-OG 3.24Å; E317-S321 VanDerWaalsContact OE1-OG 3.08Å
318	F	84.6	Confident	85.5	Confident	6 Å²	6	36.3 Å²	36.3	3%	0.026	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-78.9	157.2	176.2	-95.2	-137.2	0	0	0	113.3	L278 I305 F307 Y316 Y320 S321 W341 A343 M351	L278-F318 HydrophobicContact CD1-CD1 4.21Å; L278-F318 HydrophobicContact CD1-CE1 3.65Å; L278-F318 HydrophobicContact CD1-CZ 4.06Å; I305-F318 HydrophobicContact CB-CB 3.9Å; I305-F318 HydrophobicContact CB-CG 4.5Å; I305-F318 HydrophobicContact CG2-CB 3.62Å; I305-F318 HydrophobicContact CG2-CD1 3.67Å; I305-F318 HydrophobicContact CG2-CG 3.69Å; I305-F318 WeakPolarHBondContact O-CB 3.15Å; I305-F318 PolarHBondContact O-N 3.1Å; F307-F318 AromaticContact CD2-CE2 3.96Å; F307-F318 HydrophobicContact CD2-CE2 3.96Å; F307-F318 HydrophobicContact CE1-CE2 4.18Å; F307-F318 HydrophobicContact CE1-CZ 4.34Å; F307-F318 HydrophobicContact CE2-CD2 4.13Å; F307-F318 AromaticContact CE2-CE2 3.15Å; F307-F318 HydrophobicContact CE2-CE2 3.15Å; F307-F318 AromaticContact CE2-CZ 3.71Å; F307-F318 HydrophobicContact CE2-CZ 3.71Å; F307-F318 HydrophobicContact CZ-CD2 4.28Å; F307-F318 AromaticContact CZ-CE2 3.26Å; F307-F318 HydrophobicContact CZ-CE2 3.26Å; F307-F318 AromaticContact CZ-CZ 3.39Å; F307-F318 HydrophobicContact CZ-CZ 3.39Å; Y316-F318 HydrophobicContact CD1-CD2 4.02Å; Y316-F318 HydrophobicContact CD1-CE2 4.03Å; Y316-F318 AromaticContact CE1-CD2 3.93Å; Y316-F318 HydrophobicContact CE1-CD2 3.93Å; Y316-F318 AromaticContact CE1-CE2 3.87Å; Y316-F318 HydrophobicContact CE1-CE2 3.87Å; F318-Y320 PolarHBondContact O-N 3.12Å; F318-S321 VanDerWaalsContact O-CB 3.28Å; F318-S321 WeakPolarHBondContact O-CB 3.48Å; F318-S321 PolarHBondContact O-N 3.37Å; F318-W341 HydrophobicContact CE1-CB 3.93Å; F318-W341 HydrophobicContact CE1-CG 4.35Å; F318-A343 HydrophobicContact CZ-CB 4.44Å; F318-M351 HydrophobicContact CD1-CE 4.1Å; F318-M351 HydrophobicContact CD2-CE 4.21Å; F318-M351 HydrophobicContact CE1-CE 3.52Å; F318-M351 HydrophobicContact CE1-SD 4.18Å; F318-M351 HydrophobicContact CE2-CE 3.58Å; F318-M351 HydrophobicContact CE2-CG 4.02Å; F318-M351 HydrophobicContact CE2-SD 3.97Å; F318-M351 HydrophobicContact CG-CE 4.42Å; F318-M351 HydrophobicContact CZ-CE 3.23Å; F318-M351 HydrophobicContact CZ-CG 4.11Å; F318-M351 HydrophobicContact CZ-SD 3.46Å; F318-M351 WeakPolarHBondContact CZ-SD 3.41Å
319	P	76.6	Confident	85.4	Confident	20 Å²	20	36.3 Å²	36.3	13%	0.13	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.5	140	165.2	-21.4	32.3	0	0	0	111.1	S321 W341 R353	P319-S321 PolarHBondContact O-N 3.49Å; P319-W341 HydrophobicContact CG-CH2 4.32Å; P319-W341 HydrophobicContact CG-CZ3 4.04Å; P319-R353 HydrophobicContact CG-CG 4.22Å
320	Y	85.5	Confident	85.6	Confident	56 Å²	56	36.9 Å²	36.9	22%	0.22	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.3	-4.9	178.2	-37.9	-63.2	0	0	0	116.7	F318 K323 D325 K328 L329 F332 W341	F318-Y320 PolarHBondContact O-N 3.12Å; Y320-K323 PolarHBondContact O-N 2.94Å; Y320-D325 WeakPolarHBondContact CB-OD1 2.94Å; Y320-D325 WeakPolarHBondContact CD1-OD2 2.63Å; Y320-K328 HydrophobicContact CD1-CB 4.24Å; Y320-K328 HydrophobicContact CD1-CD 3.85Å; Y320-K328 HydrophobicContact CD2-CB 3.94Å; Y320-K328 HydrophobicContact CE1-CB 4.2Å; Y320-K328 HydrophobicContact CE1-CD 3.61Å; Y320-K328 HydrophobicContact CE2-CB 3.89Å; Y320-K328 HydrophobicContact CG-CB 4.11Å; Y320-L329 HydrophobicContact CD2-CD2 3.84Å; Y320-L329 HydrophobicContact CD2-CG 4.06Å; Y320-F332 HydrophobicContact CE2-CD2 4.46Å; Y320-W341 HydrophobicContact CE2-CH2 4.35Å; Y320-W341 HydrophobicContact CE2-CZ2 4.44Å
321	S	88.2	Confident	85.7	Confident	0 Å²	0	41 Å²	41	0%	0	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	139.9	171.8	172.9	0	0	0	0	110.9	I305 E317 F318 P319 K323	I305-S321 PolarHBondContact N-OG 2.66Å; I305-S321 VanDerWaalsContact O-CB 3.31Å; I305-S321 WeakPolarHBondContact O-CB 3.42Å; I305-S321 PolarHBondContact O-OG 3.14Å; E317-S321 WeakPolarHBondContact OE1-CB 3.47Å; E317-S321 PolarHBondContact OE1-OG 3.24Å; E317-S321 VanDerWaalsContact OE1-OG 3.08Å; F318-S321 VanDerWaalsContact O-CB 3.28Å; F318-S321 WeakPolarHBondContact O-CB 3.48Å; F318-S321 PolarHBondContact O-N 3.37Å; P319-S321 PolarHBondContact O-N 3.49Å; S321-K323 WeakPolarHBondContact O-CG 3.24Å; S321-K323 PolarHBondContact O-N 3.01Å
322	A	87.3	Confident	86	Confident	31 Å²	31	43 Å²	43	26%	0.256	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	1	177.3	0	0	0	0	0	117	Q301 A303 I304	Q301-A322 HydrophobicContact CG-CB 4.15Å; A303-A322 PolarHBondContact O-N 2.81Å; I304-A322 HydrophobicContact CG1-CB 4.42Å
323	K	85.3	Confident	86.3	Confident	154 Å²	154	42.9 Å²	42.9	67%	0.67	22%	0.222	S	C	*	.	S	Bend	trans	-100.6	-3	-171.6	-72.4	172.5	-170.8	-173.7	0	115.3	Y320 S321 D325	Y320-K323 PolarHBondContact O-N 2.94Å; S321-K323 WeakPolarHBondContact O-CG 3.24Å; S321-K323 PolarHBondContact O-N 3.01Å; K323-D325 VanDerWaalsContact C-N 3.26Å; K323-D325 WeakPolarHBondContact CB-OD1 3.48Å; K323-D325 PolarHBondContact O-N 2.89Å
324	G	85.1	Confident	86.5	Confident	24 Å²	24	41.2 Å²	41.2	25%	0.247	21%	0.212	C	C	.	.	S	Bend	trans	81.2	-0.8	178.4	0	0	0	0	0	115.2	T286 S302	T286-G324 WeakPolarHBondContact CG2-O 3.17Å; T286-G324 PolarHBondContact OG1-O 2.77Å; S302-G324 WeakPolarHBondContact OG-CA 3.1Å; S302-G324 PolarHBondContact OG-N 2.92Å
325	D	87.7	Confident	86.7	Confident	30 Å²	30	40.6 Å²	40.6	16%	0.16	20%	0.204	C	C	.	.			trans	-111.9	23.9	176.2	66.8	-19.8	0	0	0	113.5	Y320 K323 Y327 K328	Y320-D325 WeakPolarHBondContact CB-OD1 2.94Å; Y320-D325 WeakPolarHBondContact CD1-OD2 2.63Å; K323-D325 VanDerWaalsContact C-N 3.26Å; K323-D325 WeakPolarHBondContact CB-OD1 3.48Å; K323-D325 PolarHBondContact O-N 2.89Å; D325-Y327 HydrophobicContact CB-CE1 3.9Å; D325-Y327 PolarHBondContact O-N 3.36Å; D325-K328 HydrophobicContact CB-CD 4.1Å; D325-K328 VanDerWaalsContact O-CB 3.28Å; D325-K328 WeakPolarHBondContact O-CB 3.43Å; D325-K328 WeakPolarHBondContact O-CG 3.36Å; D325-K328 PolarHBondContact O-N 2.75Å; D325-K328 IonicContact OD2-NZ 3.79Å; D325-K328 PolarHBondContact OD2-NZ 3.23Å
326	S	89.1	Confident	86.7	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-16.4	177.2	56.6	0	0	0	0	114.1	T286 K328 L329	T286-S326 WeakPolarHBondContact CB-OG 3.5Å; T286-S326 VanDerWaalsContact CG2-OG 3.26Å; T286-S326 WeakPolarHBondContact CG2-OG 3.21Å; S326-K328 PolarHBondContact O-N 2.89Å; S326-L329 VanDerWaalsContact O-CB 3.23Å; S326-L329 WeakPolarHBondContact O-CB 3.29Å; S326-L329 WeakPolarHBondContact O-CG 3.16Å; S326-L329 PolarHBondContact O-N 3.1Å
327	Y	88.8	Confident	86.9	Confident	83 Å²	83	43.5 Å²	43.5	33%	0.325	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-28.5	170.1	65.4	-94	0	0	0	113.1	I283 T286 D325 L329 A330	I283-Y327 VanDerWaalsContact O-CB 3.22Å; I283-Y327 WeakPolarHBondContact O-CB 3.46Å; T286-Y327 HydrophobicContact CG2-CD1 4.12Å; D325-Y327 HydrophobicContact CB-CE1 3.9Å; D325-Y327 PolarHBondContact O-N 3.36Å; Y327-L329 PolarHBondContact O-N 3.33Å; Y327-A330 PolarHBondContact O-N 3.47Å
328	K	90.5	Very high	87.2	Confident	60 Å²	60	47.8 Å²	47.8	26%	0.261	24%	0.235	S	C	.	.	H	α-helix	trans	-62.5	-20.5	174.8	-68.9	178.6	-174.9	163.8	0	113	Y320 D325 S326 A330 D331 F332	Y320-K328 HydrophobicContact CD1-CB 4.24Å; Y320-K328 HydrophobicContact CD1-CD 3.85Å; Y320-K328 HydrophobicContact CD2-CB 3.94Å; Y320-K328 HydrophobicContact CE1-CB 4.2Å; Y320-K328 HydrophobicContact CE1-CD 3.61Å; Y320-K328 HydrophobicContact CE2-CB 3.89Å; Y320-K328 HydrophobicContact CG-CB 4.11Å; D325-K328 HydrophobicContact CB-CD 4.1Å; D325-K328 VanDerWaalsContact O-CB 3.28Å; D325-K328 WeakPolarHBondContact O-CB 3.43Å; D325-K328 WeakPolarHBondContact O-CG 3.36Å; D325-K328 PolarHBondContact O-N 2.75Å; D325-K328 IonicContact OD2-NZ 3.79Å; D325-K328 PolarHBondContact OD2-NZ 3.23Å; S326-K328 PolarHBondContact O-N 2.89Å; K328-A330 PolarHBondContact O-N 3.35Å; K328-D331 PolarHBondContact O-N 2.85Å; K328-F332 HydrophobicContact CB-CD2 3.91Å; K328-F332 HydrophobicContact CB-CE2 4.12Å; K328-F332 HydrophobicContact CD-CE2 4.42Å; K328-F332 HydrophobicContact CG-CE2 4.26Å; K328-F332 VanDerWaalsContact O-CD2 3.31Å; K328-F332 WeakPolarHBondContact O-CD2 3.25Å; K328-F332 PolarHBondContact O-N 3.48Å
329	L	90.1	Very high	87.5	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-62.2	-24.9	176.5	-69.4	168.8	0	0	0	112.9	Y280 I305 Y320 S326 Y327 F332 G339 W341	Y280-L329 HydrophobicContact CD1-CB 4.39Å; Y280-L329 HydrophobicContact CD2-CB 3.7Å; Y280-L329 HydrophobicContact CE1-CD1 4.21Å; Y280-L329 HydrophobicContact CE2-CB 3.94Å; Y280-L329 HydrophobicContact CE2-CD1 4.1Å; Y280-L329 HydrophobicContact CE2-CD2 4.37Å; Y280-L329 HydrophobicContact CE2-CG 4.38Å; Y280-L329 HydrophobicContact CG-CB 3.93Å; I305-L329 HydrophobicContact CB-CD1 4.48Å; I305-L329 HydrophobicContact CD1-CD1 3.78Å; I305-L329 HydrophobicContact CG1-CD1 3.8Å; Y320-L329 HydrophobicContact CD2-CD2 3.84Å; Y320-L329 HydrophobicContact CD2-CG 4.06Å; S326-L329 VanDerWaalsContact O-CB 3.23Å; S326-L329 WeakPolarHBondContact O-CB 3.29Å; S326-L329 WeakPolarHBondContact O-CG 3.16Å; S326-L329 PolarHBondContact O-N 3.1Å; Y327-L329 PolarHBondContact O-N 3.33Å; L329-F332 VanDerWaalsContact O-O 3.07Å; L329-G339 WeakPolarHBondContact O-CA 3.27Å; L329-W341 HydrophobicContact CD2-CD2 4.43Å; L329-W341 HydrophobicContact CD2-CH2 4.46Å; L329-W341 HydrophobicContact CD2-CZ2 3.73Å; L329-W341 PolarHBondContact O-NE1 3.32Å
330	A	92	Very high	88.3	Confident	12 Å²	12	47.1 Å²	47.1	10%	0.099	23%	0.229	C	C	.	.	H	α-helix	trans	-82.2	-25.3	174.4	0	0	0	0	0	112.9	Y327 K328 R338	Y327-A330 PolarHBondContact O-N 3.47Å; K328-A330 PolarHBondContact O-N 3.35Å; A330-R338 WeakPolarHBondContact O-CG 3.48Å
331	D	89.3	Confident	88.6	Confident	87 Å²	87	45 Å²	45	47%	0.465	22%	0.221	S	C	.	.	H	α-helix	trans	-90.4	-26.9	-179.1	-70.3	-38.1	0	0	0	113.4	K328 R338	K328-D331 PolarHBondContact O-N 2.85Å; D331-R338 WeakPolarHBondContact O-CG 3.46Å
332	F	87.3	Confident	88.7	Confident	108 Å²	108	45 Å²	45	47%	0.474	22%	0.222	S	C	.	.			trans	-113.7	172.1	178.5	-60.5	-77.2	0	0	0	111.4	Y320 K328 L329 G339 W341	Y320-F332 HydrophobicContact CE2-CD2 4.46Å; K328-F332 HydrophobicContact CB-CD2 3.91Å; K328-F332 HydrophobicContact CB-CE2 4.12Å; K328-F332 HydrophobicContact CD-CE2 4.42Å; K328-F332 HydrophobicContact CG-CE2 4.26Å; K328-F332 VanDerWaalsContact O-CD2 3.31Å; K328-F332 WeakPolarHBondContact O-CD2 3.25Å; K328-F332 PolarHBondContact O-N 3.48Å; L329-F332 VanDerWaalsContact O-O 3.07Å; F332-G339 VanDerWaalsContact O-CA 3.27Å; F332-G339 WeakPolarHBondContact O-CA 3.32Å; F332-G339 PolarHBondContact O-N 3.37Å; F332-W341 HydrophobicContact CB-CH2 4.32Å; F332-W341 HydrophobicContact CB-CZ2 4.01Å; F332-W341 PolarHBondContact O-NE1 3.14Å
333	G	84.7	Confident	88.8	Confident	21 Å²	21	43.6 Å²	43.6	22%	0.216	21%	0.21	C	C	.	.			trans	-165.6	167.2	178.5	0	0	0	0	0	111.5	T335 R340	G333-T335 VanDerWaalsContact C-N 3.31Å; G333-R340 VanDerWaalsContact CA-O 3.3Å; G333-R340 WeakPolarHBondContact CA-O 3.37Å
334	S	83.4	Confident	89	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.184	C	C	.	.	S	Bend	trans	-94.2	9.2	171.4	72.6	0	0	0	0	112.6	R340 W341 I342 I352	S334-R340 PolarHBondContact N-O 3.16Å; S334-W341 WeakPolarHBondContact OG-CA 3.45Å; S334-I342 PolarHBondContact OG-N 3.27Å; S334-I352 WeakPolarHBondContact CB-O 3.45Å
335	T	87.6	Confident	89	Confident	7 Å²	7	36.6 Å²	36.6	4%	0.043	17%	0.172	C	C	.	.	S	Bend	trans	-133.3	178.3	-171.8	73.4	0	0	0	0	110.7	N219 G333 V337 R340 I342	N219-T335 HydrophobicContact CB-CG2 3.71Å; N219-T335 WeakPolarHBondContact OD1-CB 3.42Å; G333-T335 VanDerWaalsContact C-N 3.31Å; T335-V337 PolarHBondContact O-N 2.72Å; T335-V337 PolarHBondContact OG1-N 3Å; T335-V337 VanDerWaalsContact OG1-N 3.08Å; T335-V337 PolarHBondContact OG1-O 3.19Å; T335-V337 VanDerWaalsContact OG1-O 3.08Å; T335-R340 HydrophobicContact CG2-CG 3.91Å; T335-R340 WeakPolarHBondContact OG1-CB 3.07Å; T335-R340 PolarHBondContact OG1-O 3.46Å; T335-I342 HydrophobicContact CG2-CB 4.45Å; T335-I342 HydrophobicContact CG2-CD1 3.6Å; T335-I342 HydrophobicContact CG2-CG1 3.57Å
336	Q	86.8	Confident	88.5	Confident	84 Å²	84	37.2 Å²	37.2	39%	0.393	18%	0.175	S	C	.	.	S	Bend	trans	-67.5	-15	170.7	-65.1	179.3	97.5	0	0	113.4	N219 M415 V416	N219-Q336 WeakPolarHBondContact OD1-CG 3.33Å; N219-Q336 PolarHBondContact OD1-N 3.38Å; Q336-M415 HydrophobicContact CB-SD 4.29Å; Q336-M415 HydrophobicContact CG-CG 3.85Å; Q336-M415 HydrophobicContact CG-SD 4.03Å; Q336-V416 HydrophobicContact CG-CG2 4.05Å
337	V	90.7	Very high	88	Confident	50 Å²	50	37.9 Å²	37.9	30%	0.303	18%	0.178	S	C	.	.	S	Bend	trans	-100.6	124.9	-179.3	-178.6	0	0	0	0	109.6	N76 T335 G339 R340	N76-V337 HydrophobicContact CB-CG1 3.87Å; T335-V337 PolarHBondContact O-N 2.72Å; T335-V337 PolarHBondContact OG1-N 3Å; T335-V337 VanDerWaalsContact OG1-N 3.08Å; T335-V337 PolarHBondContact OG1-O 3.19Å; T335-V337 VanDerWaalsContact OG1-O 3.08Å; V337-G339 PolarHBondContact O-N 2.98Å; V337-R340 HydrophobicContact CB-CB 4.09Å; V337-R340 HydrophobicContact CG1-CB 4.27Å; V337-R340 PolarHBondContact O-N 3.37Å
338	R	90.1	Very high	87.3	Confident	170 Å²	170	37.4 Å²	37.4	64%	0.642	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	134.3	175.6	-165.3	-172.7	65.2	176.8	-4.5	110.8	N76 A330 D331 R340	N76-R338 PolarHBondContact ND2-O 2.9Å; A330-R338 WeakPolarHBondContact O-CG 3.48Å; D331-R338 WeakPolarHBondContact O-CG 3.46Å; R338-R340 VanDerWaalsContact C-N 3.28Å; R338-R340 PolarHBondContact O-N 3.07Å
339	G	92.2	Very high	86.6	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	81	-0.2	179.2	0	0	0	0	0	115	N279 Y280 L329 F332 V337	N279-G339 CarbonylContact C-O 3.24Å; N279-G339 WeakPolarHBondContact CA-O 3.27Å; Y280-G339 PolarHBondContact N-O 3.08Å; L329-G339 WeakPolarHBondContact O-CA 3.27Å; F332-G339 VanDerWaalsContact O-CA 3.27Å; F332-G339 WeakPolarHBondContact O-CA 3.32Å; F332-G339 PolarHBondContact O-N 3.37Å; V337-G339 PolarHBondContact O-N 2.98Å
340	R	93.4	Very high	85.8	Confident	12 Å²	12	38.4 Å²	38.4	5%	0.045	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	130	-178.7	175.5	170.6	-66.1	-179.1	-3.9	112	N76 Y78 D215 L278 N279 G333 S334 T335 V337 R338 I342	N76-R340 PolarHBondContact O-NH2 2.94Å; Y78-R340 PolarHBondContact OH-NH1 2.92Å; D215-R340 VanDerWaalsContact CG-NH1 3.31Å; D215-R340 IonicContact OD2-CZ 3.01Å; D215-R340 IonicContact OD2-NH1 3.57Å; D215-R340 PolarHBondContact OD2-NH1 2.03Å; L278-R340 WeakPolarHBondContact O-CA 3.33Å; N279-R340 WeakPolarHBondContact OD1-CB 3.37Å; N279-R340 WeakPolarHBondContact OD1-CD 3.01Å; N279-R340 WeakPolarHBondContact OD1-CG 3.35Å; N279-R340 PolarHBondContact OD1-NE 3.33Å; G333-R340 VanDerWaalsContact CA-O 3.3Å; G333-R340 WeakPolarHBondContact CA-O 3.37Å; S334-R340 PolarHBondContact N-O 3.16Å; T335-R340 HydrophobicContact CG2-CG 3.91Å; T335-R340 WeakPolarHBondContact OG1-CB 3.07Å; T335-R340 PolarHBondContact OG1-O 3.46Å; V337-R340 HydrophobicContact CB-CB 4.09Å; V337-R340 HydrophobicContact CG1-CB 4.27Å; V337-R340 PolarHBondContact O-N 3.37Å; R338-R340 VanDerWaalsContact C-N 3.28Å; R338-R340 PolarHBondContact O-N 3.07Å; R340-I342 HydrophobicContact CG-CG1 4.41Å
341	W	91.6	Very high	84.7	Confident	11 Å²	11	38.3 Å²	38.3	4%	0.042	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	136	-179.6	-57.4	81.4	0	0	0	109.8	L277 L278 Y280 F318 P319 Y320 L329 F332 S334 M351	L277-W341 CarbonylContact C-O 3.46Å; L277-W341 VanDerWaalsContact CA-O 3.28Å; L277-W341 WeakPolarHBondContact CA-O 3.23Å; L278-W341 HydrophobicContact CB-CB 4.35Å; L278-W341 PolarHBondContact N-O 3.32Å; L278-W341 PolarHBondContact O-N 3.38Å; Y280-W341 AromaticContact CD2-CD1 3.64Å; Y280-W341 AromaticContact CD2-NE1 3.88Å; Y280-W341 AromaticContact CE2-CD1 3.7Å; F318-W341 HydrophobicContact CE1-CB 3.93Å; F318-W341 HydrophobicContact CE1-CG 4.35Å; P319-W341 HydrophobicContact CG-CH2 4.32Å; P319-W341 HydrophobicContact CG-CZ3 4.04Å; Y320-W341 HydrophobicContact CE2-CH2 4.35Å; Y320-W341 HydrophobicContact CE2-CZ2 4.44Å; L329-W341 HydrophobicContact CD2-CD2 4.43Å; L329-W341 HydrophobicContact CD2-CH2 4.46Å; L329-W341 HydrophobicContact CD2-CZ2 3.73Å; L329-W341 PolarHBondContact O-NE1 3.32Å; F332-W341 HydrophobicContact CB-CH2 4.32Å; F332-W341 HydrophobicContact CB-CZ2 4.01Å; F332-W341 PolarHBondContact O-NE1 3.14Å; S334-W341 WeakPolarHBondContact OG-CA 3.45Å; W341-M351 HydrophobicContact CE3-CE 4Å
342	I	90	Very high	83.4	Confident	2 Å²	2	34.2 Å²	34.2	1%	0.01	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	122.2	-179	-54.5	-174.5	0	0	0	109.6	N219 M220 Y275 V276 L277 S334 T335 R340 M351	N219-I342 HydrophobicContact CB-CD1 4.16Å; M220-I342 HydrophobicContact SD-CG2 4.39Å; Y275-I342 HydrophobicContact CD1-CG2 4.33Å; V276-I342 WeakPolarHBondContact O-CA 3.41Å; L277-I342 HydrophobicContact CD2-CD1 4.22Å; L277-I342 HydrophobicContact CD2-CG1 4.36Å; L277-I342 HydrophobicContact CG-CD1 4.35Å; L277-I342 HydrophobicContact CG-CG1 4.03Å; S334-I342 PolarHBondContact OG-N 3.27Å; T335-I342 HydrophobicContact CG2-CB 4.45Å; T335-I342 HydrophobicContact CG2-CD1 3.6Å; T335-I342 HydrophobicContact CG2-CG1 3.57Å; R340-I342 HydrophobicContact CG-CG1 4.41Å; I342-M351 VanDerWaalsContact C-SD 3.55Å
343	A	89.7	Confident	82	Confident	1 Å²	1	30.6 Å²	30.6	1%	0.008	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	136.4	172.1	0	0	0	0	0	110.1	Y275 V276 F307 F318 F345 M351	Y275-A343 CarbonylContact C-O 3.59Å; Y275-A343 VanDerWaalsContact CA-O 3.23Å; Y275-A343 WeakPolarHBondContact CA-O 3.38Å; V276-A343 PolarHBondContact N-O 3.04Å; V276-A343 PolarHBondContact O-N 3.48Å; F307-A343 HydrophobicContact CE2-CB 3.52Å; F307-A343 HydrophobicContact CZ-CB 3.61Å; F318-A343 HydrophobicContact CZ-CB 4.44Å; A343-F345 HydrophobicContact CB-CD2 4.31Å; A343-F345 HydrophobicContact CB-CE2 3.59Å; A343-F345 HydrophobicContact CB-CZ 4.29Å; A343-M351 HydrophobicContact CB-CG 3.52Å; A343-M351 HydrophobicContact CB-SD 3.7Å
344	K	88.6	Confident	80.4	Confident	31 Å²	31	31.1 Å²	31.1	14%	0.135	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	138.3	170.2	177.2	-175.3	171.3	-164.9	0	109.7	M220 Y275 M346 Q350	M220-K344 HydrophobicContact CE-CB 3.39Å; M220-K344 HydrophobicContact CE-CD 3.97Å; M220-K344 HydrophobicContact CE-CG 4.35Å; M220-K344 HydrophobicContact SD-CB 3.76Å; Y275-K344 HydrophobicContact CD1-CB 3.77Å; Y275-K344 HydrophobicContact CD1-CG 4.12Å; Y275-K344 HydrophobicContact CE1-CB 3.65Å; Y275-K344 HydrophobicContact CE1-CD 3.98Å; Y275-K344 HydrophobicContact CE1-CG 3.64Å; K344-M346 VanDerWaalsContact CE-SD 3.56Å; K344-Q350 HydrophobicContact CB-CB 4.28Å; K344-Q350 PolarHBondContact N-O 3.06Å; K344-Q350 PolarHBondContact O-N 3.27Å
345	F	86.3	Confident	79	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	131.5	177.3	-69	-95.6	0	0	0	111	F107 Y108 S274 V276 F307 A343 V349	F107-F345 AromaticContact CD2-CD1 3.49Å; F107-F345 HydrophobicContact CD2-CD1 3.49Å; F107-F345 VanDerWaalsContact CD2-CD1 3.49Å; F107-F345 AromaticContact CD2-CE1 3.61Å; F107-F345 HydrophobicContact CD2-CE1 3.61Å; F107-F345 HydrophobicContact CD2-CG 4.03Å; F107-F345 HydrophobicContact CD2-CZ 4.23Å; F107-F345 AromaticContact CE2-CD1 3.65Å; F107-F345 HydrophobicContact CE2-CD1 3.65Å; F107-F345 AromaticContact CE2-CE1 3.21Å; F107-F345 HydrophobicContact CE2-CE1 3.21Å; F107-F345 HydrophobicContact CE2-CG 4.44Å; F107-F345 AromaticContact CE2-CZ 3.71Å; F107-F345 HydrophobicContact CE2-CZ 3.71Å; F107-F345 HydrophobicContact CZ-CE1 4.2Å; Y108-F345 HydrophobicContact CD2-CD1 4.36Å; Y108-F345 HydrophobicContact CD2-CE1 4.25Å; Y108-F345 HydrophobicContact CE2-CD1 4.47Å; Y108-F345 AromaticContact CE2-CE1 3.98Å; Y108-F345 HydrophobicContact CE2-CE1 3.98Å; S274-F345 PolarHBondContact N-O 2.93Å; S274-F345 VanDerWaalsContact N-O 3.11Å; S274-F345 PolarHBondContact O-N 3.19Å; V276-F345 HydrophobicContact CB-CD2 4.36Å; V276-F345 HydrophobicContact CB-CE2 3.76Å; V276-F345 HydrophobicContact CG2-CD2 3.65Å; V276-F345 HydrophobicContact CG2-CE2 3.28Å; V276-F345 HydrophobicContact CG2-CZ 4.13Å; F307-F345 HydrophobicContact CB-CE1 3.93Å; F307-F345 HydrophobicContact CB-CZ 3.94Å; F307-F345 AromaticContact CD1-CZ 3.71Å; F307-F345 HydrophobicContact CD1-CZ 3.71Å; F307-F345 AromaticContact CD2-CE1 3.76Å; F307-F345 HydrophobicContact CD2-CE1 3.76Å; F307-F345 HydrophobicContact CD2-CE2 4.17Å; F307-F345 AromaticContact CD2-CZ 3.19Å; F307-F345 HydrophobicContact CD2-CZ 3.19Å; F307-F345 HydrophobicContact CE1-CE2 4.33Å; F307-F345 AromaticContact CE1-CZ 3.86Å; F307-F345 HydrophobicContact CE1-CZ 3.86Å; F307-F345 HydrophobicContact CE2-CE1 4.22Å; F307-F345 AromaticContact CE2-CE2 3.79Å; F307-F345 HydrophobicContact CE2-CE2 3.79Å; F307-F345 AromaticContact CE2-CZ 3.26Å; F307-F345 HydrophobicContact CE2-CZ 3.26Å; F307-F345 AromaticContact CG-CE1 3.87Å; F307-F345 HydrophobicContact CG-CE1 3.87Å; F307-F345 HydrophobicContact CG-CE2 4.48Å; F307-F345 AromaticContact CG-CZ 3.36Å; F307-F345 HydrophobicContact CG-CZ 3.36Å; F307-F345 AromaticContact CZ-CE2 3.9Å; F307-F345 HydrophobicContact CZ-CE2 3.9Å; F307-F345 AromaticContact CZ-CZ 3.63Å; F307-F345 HydrophobicContact CZ-CZ 3.63Å; A343-F345 HydrophobicContact CB-CD2 4.31Å; A343-F345 HydrophobicContact CB-CE2 3.59Å; A343-F345 HydrophobicContact CB-CZ 4.29Å; F345-V349 HydrophobicContact CD1-CB 4.45Å; F345-V349 HydrophobicContact CD1-CG1 4.41Å; F345-V349 HydrophobicContact CD1-CG2 3.65Å; F345-V349 HydrophobicContact CE1-CB 4.22Å; F345-V349 HydrophobicContact CE1-CG1 3.93Å; F345-V349 HydrophobicContact CE1-CG2 3.36Å; F345-V349 HydrophobicContact CZ-CG1 4.07Å; F345-V349 HydrophobicContact CZ-CG2 4.29Å
346	M	77.4	Confident	77	Confident	42 Å²	42	40.6 Å²	40.6	21%	0.207	19%	0.188	C	C	.	.	S	Bend	trans	-142.7	-97.1	166	-65	179.5	67.3	0	0	107.9	G109 R273 K344 D348	G109-M346 PolarHBondContact N-O 3.47Å; R273-M346 HydrophobicContact CG-CE 4.4Å; R273-M346 HydrophobicContact CG-SD 4.18Å; K344-M346 VanDerWaalsContact CE-SD 3.56Å; M346-D348 PolarHBondContact N-O 2.69Å
347	E	78.4	Confident	75.1	Confident	14 Å²	14	40.3 Å²	40.3	7%	0.065	20%	0.195	C	C	.	.	S	Bend	trans	-91.6	-30.3	175	-68.4	-65.3	162	0	0	112.2	G109 R879 R883 Y887 F899	G109-E347 WeakPolarHBondContact CA-OE2 3.23Å; E347-R879 IonicContact OE1-NH1 3.17Å; E347-R879 PolarHBondContact OE1-NH1 3.29Å; E347-R879 IonicContact OE2-CZ 3.06Å; E347-R879 IonicContact OE2-NH1 3.89Å; E347-R879 PolarHBondContact OE2-NH1 2.93Å; E347-R879 IonicContact OE2-NH2 2.76Å; E347-R879 PolarHBondContact OE2-NH2 2.74Å; E347-R883 IonicContact OE2-NH2 2.61Å; E347-Y887 HydrophobicContact CG-CD2 4.07Å; E347-Y887 HydrophobicContact CG-CE2 3.79Å; E347-Y887 VanDerWaalsContact OE1-CD2 3.29Å; E347-Y887 WeakPolarHBondContact OE1-CD2 3.17Å; E347-Y887 WeakPolarHBondContact OE1-CE2 3.4Å; E347-F899 HydrophobicContact CB-CE1 4.48Å; E347-F899 HydrophobicContact CB-CE2 3.89Å; E347-F899 HydrophobicContact CB-CZ 3.56Å; E347-F899 HydrophobicContact CG-CE1 4.09Å; E347-F899 HydrophobicContact CG-CE2 4.08Å; E347-F899 HydrophobicContact CG-CZ 3.61Å
348	D	73.5	Confident	72.8	Confident	73 Å²	73	40 Å²	40	39%	0.39	19%	0.194	S	C	.	.	S	Bend	trans	-126	173.2	177	61.5	-24.9	0	0	0	109.8	M346 Q350	M346-D348 PolarHBondContact N-O 2.69Å; D348-Q350 PolarHBondContact OD2-NE2 2.9Å; D348-Q350 VanDerWaalsContact OD2-NE2 3.15Å
349	V	75.6	Confident	70.4	Confident	21 Å²	21	36.6 Å²	36.6	13%	0.127	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	125.9	173.7	-174.4	0	0	0	0	108.7	Y108 F307 Y316 F345	Y108-V349 HydrophobicContact CD2-CG2 4.19Å; Y108-V349 HydrophobicContact CE1-CG2 3.84Å; Y108-V349 HydrophobicContact CE2-CG2 3.46Å; Y108-V349 VanDerWaalsContact CE2-CG2 3.46Å; Y108-V349 WeakPolarHBondContact OH-CG2 3.27Å; F307-V349 HydrophobicContact CD2-CG1 3.83Å; F307-V349 HydrophobicContact CE2-CG1 3.97Å; Y316-V349 HydrophobicContact CD1-CG1 4.08Å; Y316-V349 HydrophobicContact CD2-CB 4.03Å; Y316-V349 HydrophobicContact CD2-CG1 4.06Å; Y316-V349 HydrophobicContact CE1-CG1 4.43Å; Y316-V349 HydrophobicContact CE2-CG1 4.4Å; Y316-V349 HydrophobicContact CG-CB 4.16Å; Y316-V349 HydrophobicContact CG-CG1 3.91Å; F345-V349 HydrophobicContact CD1-CB 4.45Å; F345-V349 HydrophobicContact CD1-CG1 4.41Å; F345-V349 HydrophobicContact CD1-CG2 3.65Å; F345-V349 HydrophobicContact CE1-CB 4.22Å; F345-V349 HydrophobicContact CE1-CG1 3.93Å; F345-V349 HydrophobicContact CE1-CG2 3.36Å; F345-V349 HydrophobicContact CZ-CG1 4.07Å; F345-V349 HydrophobicContact CZ-CG2 4.29Å
350	Q	72.9	Confident	67.7	Low	60 Å²	60	42.4 Å²	42.4	28%	0.28	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	122.8	174.3	-65.9	175.7	-2	0	0	108.9	M220 K344 D348	M220-Q350 HydrophobicContact CE-CB 4.08Å; K344-Q350 HydrophobicContact CB-CB 4.28Å; K344-Q350 PolarHBondContact N-O 3.06Å; K344-Q350 PolarHBondContact O-N 3.27Å; D348-Q350 PolarHBondContact OD2-NE2 2.9Å; D348-Q350 VanDerWaalsContact OD2-NE2 3.15Å
351	M	70.3	Confident	65	Low	10 Å²	10	46 Å²	46	5%	0.049	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	138.1	-178.2	-104.3	-81.4	-74.3	0	0	108.9	Y316 F318 W341 I342 A343 R353	Y316-M351 HydrophobicContact CE1-CB 4.07Å; Y316-M351 HydrophobicContact CE1-CG 3.89Å; Y316-M351 VanDerWaalsContact OH-CB 3.23Å; Y316-M351 WeakPolarHBondContact OH-CB 2.94Å; F318-M351 HydrophobicContact CD1-CE 4.1Å; F318-M351 HydrophobicContact CD2-CE 4.21Å; F318-M351 HydrophobicContact CE1-CE 3.52Å; F318-M351 HydrophobicContact CE1-SD 4.18Å; F318-M351 HydrophobicContact CE2-CE 3.58Å; F318-M351 HydrophobicContact CE2-CG 4.02Å; F318-M351 HydrophobicContact CE2-SD 3.97Å; F318-M351 HydrophobicContact CG-CE 4.42Å; F318-M351 HydrophobicContact CZ-CE 3.23Å; F318-M351 HydrophobicContact CZ-CG 4.11Å; F318-M351 HydrophobicContact CZ-SD 3.46Å; F318-M351 WeakPolarHBondContact CZ-SD 3.41Å; W341-M351 HydrophobicContact CE3-CE 4Å; I342-M351 VanDerWaalsContact C-SD 3.55Å; A343-M351 HydrophobicContact CB-CG 3.52Å; A343-M351 HydrophobicContact CB-SD 3.7Å; M351-R353 PolarHBondContact O-N 3.18Å
352	I	60.4	Low	62.4	Low	2 Å²	2	47.5 Å²	47.5	1%	0.01	27%	0.266	C	S	.	.			trans	-81.4	117.3	172.1	-69.9	168.3	0	0	0	107.7	N219 M220 S334 M354 L372 V416	N219-I352 WeakPolarHBondContact O-CD1 3.43Å; M220-I352 HydrophobicContact CB-CD1 3.77Å; M220-I352 HydrophobicContact CG-CD1 3.7Å; M220-I352 HydrophobicContact CG-CG1 4.49Å; S334-I352 WeakPolarHBondContact CB-O 3.45Å; I352-M354 HydrophobicContact CG2-CG 3.89Å; I352-L372 HydrophobicContact CG1-CD1 3.73Å; I352-V416 HydrophobicContact CD1-CG1 4.31Å; I352-V416 HydrophobicContact CG2-CG1 4.04Å
353	R	59	Low	59.7	Low	31 Å²	31	55.7 Å²	55.7	12%	0.117	30%	0.304	C	S	.	.			trans	-107.8	97.3	171.4	-134.7	-173.5	-65.5	-112.7	1.1	108.1	Y316 P319 M351 V355	Y316-R353 PolarHBondContact OH-NH2 2.62Å; P319-R353 HydrophobicContact CG-CG 4.22Å; M351-R353 PolarHBondContact O-N 3.18Å; R353-V355 HydrophobicContact CB-CG2 4.37Å; R353-V355 HydrophobicContact CG-CG2 4.26Å; R353-V355 PolarHBondContact O-N 3.38Å
354	M	51.2	Low	57.1	Low	33 Å²	33	63.5 Å²	63.5	16%	0.163	35%	0.346	C	S	.	.			trans	-73.9	111	172.5	-75	-87.1	-81.7	0	0	108.2	I352 C392 M415 V416	I352-M354 HydrophobicContact CG2-CG 3.89Å; M354-C392 HydrophobicContact CE-CB 3.94Å; M354-C392 WeakPolarHBondContact CE-SG 3.35Å; M354-C392 HydrophobicContact SD-CB 4.43Å; M354-M415 HydrophobicContact CE-CE 4.09Å; M354-M415 HydrophobicContact CE-CG 4.38Å; M354-M415 WeakPolarHBondContact CE-O 3.48Å; M354-V416 HydrophobicContact CE-CB 4.46Å; M354-V416 HydrophobicContact CE-CG2 4.12Å; M354-V416 HydrophobicContact SD-CB 4.46Å; M354-V416 HydrophobicContact SD-CG1 4.15Å
355	V	52.6	Low	54.7	Low	37 Å²	37	65.1 Å²	65.1	22%	0.224	36%	0.355	C	S	.	.	B	Isolated β-bridge	trans	-129.1	141.3	178.4	-161.1	0	0	0	0	109.1	R353 S357 L368 W446	R353-V355 HydrophobicContact CB-CG2 4.37Å; R353-V355 HydrophobicContact CG-CG2 4.26Å; R353-V355 PolarHBondContact O-N 3.38Å; V355-S357 WeakPolarHBondContact CG1-O 3.07Å; V355-L368 HydrophobicContact CB-CD2 4.37Å; V355-L368 HydrophobicContact CG1-CD2 4.23Å; V355-L368 HydrophobicContact CG2-CD2 3.88Å; V355-W446 HydrophobicContact CB-CH2 4.1Å; V355-W446 HydrophobicContact CB-CZ2 4.47Å; V355-W446 HydrophobicContact CG2-CH2 4.47Å; V355-W446 VanDerWaalsContact O-CZ2 3.26Å; V355-W446 WeakPolarHBondContact O-CZ2 3.43Å
356	K	46.4	Very low	52.4	Low	168 Å²	168	73.1 Å²	73.1	73%	0.73	40%	0.398	S	S	*	.	S	Bend	trans	-72.1	-28.7	176.3	-93.4	-177.4	176.1	175.1	0	113.2
357	S	45.8	Very low	50.8	Low	79 Å²	79	73.8 Å²	73.8	55%	0.552	40%	0.402	S	S	*	.	S	Bend	trans	-147.7	147.4	177.6	-74.4	0	0	0	0	110.6	V355 D359	V355-S357 WeakPolarHBondContact CG1-O 3.07Å; S357-D359 PolarHBondContact O-N 2.95Å
358	P	43.9	Very low	49.2	Very low	43 Å²	43	75 Å²	75	28%	0.279	41%	0.409	S	S	.	.			trans	-65.8	98.9	165.8	29	-33	0	0	0	108.4	T360 L368 N445	P358-T360 PolarHBondContact O-N 3.33Å; P358-T360 VanDerWaalsContact O-N 3.08Å; P358-L368 HydrophobicContact CB-CB 4.47Å; P358-N445 HydrophobicContact CG-CB 4.17Å
359	D	39	Very low	48.3	Very low	99 Å²	99	71.7 Å²	71.7	53%	0.529	39%	0.392	S	S	.	.			trans	-75	96.8	177.2	-156.4	-15.7	0	0	0	108.8	S357 S361 A362 L368	S357-D359 PolarHBondContact O-N 2.95Å; D359-S361 PolarHBondContact O-N 2.87Å; D359-S361 PolarHBondContact OD1-OG 3.09Å; D359-A362 PolarHBondContact O-N 3.11Å; D359-L368 HydrophobicContact CB-CD1 4.4Å; D359-L368 WeakPolarHBondContact O-CD1 3.31Å
360	T	36.7	Very low	47.9	Very low	122 Å²	122	72.4 Å²	72.4	75%	0.748	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-13.6	-175.7	42.5	0	0	0	0	113.9	P358 A362	P358-T360 PolarHBondContact O-N 3.33Å; P358-T360 VanDerWaalsContact O-N 3.08Å; T360-A362 PolarHBondContact O-N 2.7Å
361	S	36.6	Very low	48.3	Very low	87 Å²	87	69.6 Å²	69.6	61%	0.608	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-20.3	176.8	-39.8	0	0	0	0	114.4	D359 H363	D359-S361 PolarHBondContact O-N 2.87Å; D359-S361 PolarHBondContact OD1-OG 3.09Å; S361-H363 PolarHBondContact O-N 2.93Å
362	A	36.2	Very low	49	Very low	43 Å²	43	71.2 Å²	71.2	36%	0.355	40%	0.395	S	S	.	.			trans	-90.4	72.1	-179.9	0	0	0	0	0	111.8	D359 T360 N364 L365 L368	D359-A362 PolarHBondContact O-N 3.11Å; T360-A362 PolarHBondContact O-N 2.7Å; A362-N364 PolarHBondContact O-N 3.2Å; A362-L365 PolarHBondContact O-N 2.68Å; A362-L368 HydrophobicContact CB-CD1 3.68Å
363	H	32.8	Very low	50.1	Low	174 Å²	174	72 Å²	72	81%	0.806	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-2.6	-176.2	-84.1	-71.9	0	0	0	117.6	S361	S361-H363 PolarHBondContact O-N 2.93Å
364	N	35.5	Very low	50.9	Low	165 Å²	165	72 Å²	72	88%	0.882	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.8	6.9	-179.1	-81.4	-19.2	0	0	0	115.1	A362	A362-N364 PolarHBondContact O-N 3.2Å
365	L	37.6	Very low	52	Low	64 Å²	64	72.5 Å²	72.5	34%	0.335	41%	0.409	S	S	.	.			trans	-123.4	93	178	-79.7	156.7	0	0	0	109.1	A362 I367 L368	A362-L365 PolarHBondContact O-N 2.68Å; L365-I367 HydrophobicContact CB-CB 4.44Å; L365-I367 HydrophobicContact CD2-CB 4.22Å; L365-I367 HydrophobicContact CD2-CD1 3.73Å; L365-I367 HydrophobicContact CD2-CG1 4.11Å; L365-I367 PolarHBondContact O-N 3.44Å; L365-L368 PolarHBondContact O-N 2.92Å
366	N	37.9	Very low	53	Low	169 Å²	169	74.5 Å²	74.5	90%	0.904	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	17.2	159.6	-68.7	-16.1	0	0	0	113.3
367	I	45.6	Very low	54.7	Low	55 Å²	55	68.4 Å²	68.4	28%	0.282	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-15	-176.7	-57.1	-178.8	0	0	0	110.9	Y316 L365 G369 A370	Y316-I367 HydrophobicContact CE2-CD1 4.11Å; L365-I367 HydrophobicContact CB-CB 4.44Å; L365-I367 HydrophobicContact CD2-CB 4.22Å; L365-I367 HydrophobicContact CD2-CD1 3.73Å; L365-I367 HydrophobicContact CD2-CG1 4.11Å; L365-I367 PolarHBondContact O-N 3.44Å; I367-G369 PolarHBondContact O-N 2.95Å; I367-A370 HydrophobicContact CG2-CB 4.29Å; I367-A370 WeakPolarHBondContact O-CB 3.48Å; I367-A370 PolarHBondContact O-N 2.67Å; I367-A370 VanDerWaalsContact O-N 3.13Å
368	L	43.1	Very low	56.5	Low	40 Å²	40	64.7 Å²	64.7	21%	0.209	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	114.4	168.2	-77	169.6	0	0	0	108.9	V355 P358 D359 A362 L365	V355-L368 HydrophobicContact CB-CD2 4.37Å; V355-L368 HydrophobicContact CG1-CD2 4.23Å; V355-L368 HydrophobicContact CG2-CD2 3.88Å; P358-L368 HydrophobicContact CB-CB 4.47Å; D359-L368 HydrophobicContact CB-CD1 4.4Å; D359-L368 WeakPolarHBondContact O-CD1 3.31Å; A362-L368 HydrophobicContact CB-CD1 3.68Å; L365-L368 PolarHBondContact O-N 2.92Å
369	G	54.3	Low	58.5	Low	3 Å²	3	63.3 Å²	63.3	3%	0.031	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	95.3	0.7	-171.7	0	0	0	0	0	114.6	I367 L371 W446 Y447	I367-G369 PolarHBondContact O-N 2.95Å; G369-L371 PolarHBondContact O-N 3.03Å; G369-W446 CarbonylContact O-C 3.59Å; G369-W446 VanDerWaalsContact O-CA 3.3Å; G369-W446 WeakPolarHBondContact O-CA 3.2Å; G369-Y447 PolarHBondContact O-N 2.93Å
370	A	68.4	Low	60.9	Low	37 Å²	37	58.6 Å²	58.6	31%	0.306	34%	0.336	S	S	.	.	B	Isolated β-bridge	trans	-72.2	115.2	177.6	0	0	0	0	0	111.3	I367	I367-A370 HydrophobicContact CG2-CB 4.29Å; I367-A370 WeakPolarHBondContact O-CB 3.48Å; I367-A370 PolarHBondContact O-N 2.67Å; I367-A370 VanDerWaalsContact O-N 3.13Å
371	L	82.1	Confident	63.4	Low	1 Å²	1	52.8 Å²	52.8	1%	0.005	30%	0.3	C	S	.	.			trans	-86.4	125.4	174.4	-172.6	61.9	0	0	0	110.1	G369 V388 F435 I437 W446 Y447 S448	G369-L371 PolarHBondContact O-N 3.03Å; L371-V388 HydrophobicContact CD1-CB 3.9Å; L371-V388 HydrophobicContact CD1-CG2 4.29Å; L371-V388 HydrophobicContact CG-CB 4.32Å; L371-V388 HydrophobicContact CG-CG1 4.5Å; L371-F435 HydrophobicContact CD2-CD2 3.54Å; L371-F435 HydrophobicContact CD2-CE2 3.2Å; L371-F435 HydrophobicContact CD2-CZ 3.99Å; L371-F435 HydrophobicContact CG-CE2 3.72Å; L371-F435 HydrophobicContact CG-CZ 4.15Å; L371-I437 HydrophobicContact CD1-CB 4.42Å; L371-I437 HydrophobicContact CD1-CG2 3.54Å; L371-I437 HydrophobicContact CD2-CB 4.05Å; L371-I437 HydrophobicContact CD2-CG2 3.84Å; L371-I437 HydrophobicContact CG-CG2 4.33Å; L371-W446 HydrophobicContact CD1-CB 4.49Å; L371-Y447 PolarHBondContact N-O 3.3Å; L371-Y447 VanDerWaalsContact N-O 3.07Å; L371-S448 WeakPolarHBondContact O-CB 3.49Å; L371-S448 PolarHBondContact O-OG 3.49Å; L371-S448 VanDerWaalsContact O-OG 3.1Å
372	L	83.2	Confident	65.9	Low	43 Å²	43	48.7 Å²	48.7	23%	0.225	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	137.4	173.5	-63.2	176.5	0	0	0	109.9	V221 I352 V388 S389	V221-L372 HydrophobicContact CG2-CB 3.72Å; I352-L372 HydrophobicContact CG1-CD1 3.73Å; L372-V388 CarbonylContact O-C 3.6Å; L372-V388 WeakPolarHBondContact O-CA 3.22Å; L372-S389 PolarHBondContact N-O 2.93Å; L372-S389 PolarHBondContact O-N 3.33Å
373	A	83.9	Confident	68.1	Low	20 Å²	20	46.8 Å²	46.8	17%	0.165	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	149.7	176	0	0	0	0	0	111.6	N375 I386 N387 V388 F435	A373-N375 VanDerWaalsContact C-N 3.32Å; A373-N375 PolarHBondContact O-N 3.43Å; A373-I386 HydrophobicContact CB-CG2 3.81Å; A373-N387 CarbonylContact C-O 3.52Å; A373-N387 WeakPolarHBondContact CA-O 2.99Å; A373-V388 HydrophobicContact CB-CG1 4.22Å; A373-F435 HydrophobicContact CB-CE2 4.21Å; A373-F435 HydrophobicContact CB-CZ 3.73Å
374	T	76.3	Confident	70.6	Confident	30 Å²	30	39.1 Å²	39.1	18%	0.184	22%	0.221	C	C	.	.	S	Bend	trans	-54.1	-47.9	176.2	25	0	0	0	0	112.9	V221 G222 N387	V221-T374 HydrophobicContact CB-CG2 3.98Å; V221-T374 HydrophobicContact CG1-CG2 4.4Å; G222-T374 WeakPolarHBondContact CA-O 3.29Å; G222-T374 VanDerWaalsContact N-CG2 3.33Å; T374-N387 HydrophobicContact CG2-CB 3.64Å; T374-N387 PolarHBondContact N-O 3.48Å; T374-N387 PolarHBondContact OG1-N 2Å; T374-N387 PolarHBondContact OG1-O 3.32Å
375	N	74	Confident	73	Confident	43 Å²	43	31.6 Å²	31.6	23%	0.23	18%	0.182	C	C	.	.	S	Bend	trans	-125.7	118.2	172.9	-65.6	-39.6	0	0	0	105.9	A373 W377	A373-N375 VanDerWaalsContact C-N 3.32Å; A373-N375 PolarHBondContact O-N 3.43Å; N375-W377 HydrophobicContact CB-CD2 4.37Å; N375-W377 HydrophobicContact CB-CG 4.28Å; N375-W377 PolarHBondContact O-N 3.11Å
376	P	74.2	Confident	75.3	Confident	80 Å²	80	28.7 Å²	28.7	52%	0.519	17%	0.166	S	C	.	.	S	Bend	trans	-73.7	33.6	172.8	33.5	-36.2	0	0	0	110.7	L450 Y451	P376-L450 CarbonylContact O-C 3.58Å; P376-L450 WeakPolarHBondContact O-CA 3.11Å; P376-Y451 PolarHBondContact O-N 3.09Å
377	W	81.3	Confident	77.7	Confident	39 Å²	39	21.5 Å²	21.5	15%	0.148	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	153.9	179.6	62.2	-88.9	0	0	0	112	N375 Y451 F453 M461	N375-W377 HydrophobicContact CB-CD2 4.37Å; N375-W377 HydrophobicContact CB-CG 4.28Å; N375-W377 PolarHBondContact O-N 3.11Å; W377-Y451 CarbonylContact C-O 3.5Å; W377-Y451 WeakPolarHBondContact CA-O 3.41Å; W377-Y451 VanDerWaalsContact CB-O 3.28Å; W377-Y451 WeakPolarHBondContact CB-O 3.36Å; W377-F453 HydrophobicContact CB-CD2 3.73Å; W377-F453 HydrophobicContact CB-CE2 3.46Å; W377-F453 VanDerWaalsContact CB-CE2 3.46Å; W377-F453 HydrophobicContact CD2-CD2 4.34Å; W377-F453 HydrophobicContact CD2-CE2 4.38Å; W377-F453 HydrophobicContact CE3-CD2 4.07Å; W377-F453 HydrophobicContact CG-CD2 4.25Å; W377-F453 AromaticContact CG-CE2 3.96Å; W377-F453 HydrophobicContact CG-CE2 3.96Å; W377-M461 HydrophobicContact CH2-CE 3.49Å; W377-M461 VanDerWaalsContact CH2-CE 3.49Å; W377-M461 HydrophobicContact CZ3-CE 3.92Å
378	N	84.3	Confident	79.8	Confident	2 Å²	2	18.9 Å²	18.9	1%	0.011	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	157.2	179.3	-157.3	-41.4	0	0	0	111	N384 I386 V422 L450 Y451 I452 F453	N378-N384 VanDerWaalsContact CG-OD1 3.28Å; N378-N384 PolarHBondContact ND2-ND2 3.41Å; N378-N384 VanDerWaalsContact ND2-ND2 3.12Å; N378-N384 PolarHBondContact ND2-OD1 3.24Å; N378-N384 PolarHBondContact OD1-ND2 3.31Å; N378-N384 PolarHBondContact OD1-OD1 3.31Å; N378-I386 WeakPolarHBondContact ND2-CD1 3.16Å; N378-I386 WeakPolarHBondContact ND2-CG1 3.4Å; N378-V422 WeakPolarHBondContact ND2-CG2 3.34Å; N378-L450 HydrophobicContact CB-CD1 4.31Å; N378-Y451 PolarHBondContact N-O 3.1Å; N378-I452 HydrophobicContact CB-CD1 3.79Å; N378-I452 CarbonylContact O-C 3.55Å; N378-I452 WeakPolarHBondContact O-CA 3.44Å; N378-F453 PolarHBondContact O-N 3.31Å
379	S	86.6	Confident	81.8	Confident	14 Å²	14	17 Å²	17	10%	0.098	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	142.1	167	175	0	0	0	0	110.4	I381 G382	S379-I381 PolarHBondContact O-N 3.09Å; S379-I381 PolarHBondContact OG-N 3.01Å; S379-G382 PolarHBondContact O-N 2.94Å
380	M	88.5	Confident	83.2	Confident	0 Å²	0	17 Å²	17	0%	0	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-16.7	175.9	74.4	-175.2	-72.8	0	0	114.6	F428 K429 I452 F453 P454 P455 V728 P729	M380-F428 VanDerWaalsContact CE-C 3.48Å; M380-F428 VanDerWaalsContact CE-CA 3.48Å; M380-F428 HydrophobicContact CE-CB 4.05Å; M380-F428 HydrophobicContact CE-CD1 3.81Å; M380-F428 HydrophobicContact CE-CG 4.15Å; M380-F428 PolarHBondContact O-N 3.41Å; M380-K429 WeakPolarHBondContact CB-O 3.44Å; M380-I452 HydrophobicContact CB-CG2 3.63Å; M380-F453 PolarHBondContact N-O 3.38Å; M380-P454 HydrophobicContact SD-CB 4.13Å; M380-P455 HydrophobicContact CG-CG 4.34Å; M380-P455 WeakPolarHBondContact SD-CD 3.5Å; M380-P455 HydrophobicContact SD-CG 4.35Å; M380-V728 HydrophobicContact CE-CG1 3.75Å; M380-P729 HydrophobicContact CE-CB 4.24Å; M380-P729 HydrophobicContact CE-CG 4.22Å; M380-P729 HydrophobicContact SD-CB 4.09Å
381	I	89.6	Confident	83.8	Confident	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-30.5	-176.8	-58.8	170.8	0	0	0	111.7	S379 L424 N425 F428 P455 Y521 W580 W731	S379-I381 PolarHBondContact O-N 3.09Å; S379-I381 PolarHBondContact OG-N 3.01Å; I381-L424 HydrophobicContact CG2-CD2 4.45Å; I381-L424 WeakPolarHBondContact O-CA 3.16Å; I381-N425 PolarHBondContact O-N 3Å; I381-F428 HydrophobicContact CG1-CZ 4.48Å; I381-P455 HydrophobicContact CD1-CG 3.66Å; I381-P455 HydrophobicContact CG1-CG 4.13Å; I381-Y521 HydrophobicContact CD1-CE1 4.44Å; I381-Y521 HydrophobicContact CG2-CD1 4.15Å; I381-Y521 HydrophobicContact CG2-CE1 3.46Å; I381-Y521 VanDerWaalsContact CG2-CE1 3.46Å; I381-W580 HydrophobicContact CD1-CD2 4.45Å; I381-W580 HydrophobicContact CG2-CD2 4.32Å; I381-W580 HydrophobicContact CG2-CH2 3.91Å; I381-W580 HydrophobicContact CG2-CZ2 3.55Å; I381-W580 HydrophobicContact CG2-CZ3 4.44Å; I381-W731 HydrophobicContact CD1-CZ2 3.66Å
382	G	87.9	Confident	83.9	Confident	0 Å²	0	17 Å²	17	0%	0	10%	0.102	C	C	.	.			trans	81.5	-164.3	-171.4	0	0	0	0	0	114	S379 N384 W580	S379-G382 PolarHBondContact O-N 2.94Å; G382-N384 VanDerWaalsContact C-N 3.34Å; G382-N384 PolarHBondContact O-N 3.2Å; G382-W580 PolarHBondContact O-NE1 2.89Å
383	G	84	Confident	84.2	Confident	4 Å²	4	15.1 Å²	15.1	4%	0.041	9%	0.092	C	C	.	.			trans	94.1	-25	177.4	0	0	0	0	0	114.5	V422 L424 V578	G383-V422 VanDerWaalsContact CA-O 3.3Å; G383-V422 WeakPolarHBondContact CA-O 3.44Å; G383-V422 PolarHBondContact N-O 2.93Å; G383-L424 VanDerWaalsContact CA-CD2 3.5Å; G383-V578 VanDerWaalsContact O-CB 3.28Å; G383-V578 WeakPolarHBondContact O-CB 3.42Å; G383-V578 VanDerWaalsContact O-CG2 3.22Å; G383-V578 WeakPolarHBondContact O-CG2 3.38Å
384	N	84.9	Confident	84.5	Confident	12 Å²	12	20.1 Å²	20.1	6%	0.064	11%	0.107	C	C	.	.	S	Bend	trans	-79	154	176.1	61	-32.5	0	0	0	112	N378 G382 V422 H576	N378-N384 VanDerWaalsContact CG-OD1 3.28Å; N378-N384 PolarHBondContact ND2-ND2 3.41Å; N378-N384 VanDerWaalsContact ND2-ND2 3.12Å; N378-N384 PolarHBondContact ND2-OD1 3.24Å; N378-N384 PolarHBondContact OD1-ND2 3.31Å; N378-N384 PolarHBondContact OD1-OD1 3.31Å; G382-N384 VanDerWaalsContact C-N 3.34Å; G382-N384 PolarHBondContact O-N 3.2Å; N384-V422 PolarHBondContact O-N 3.26Å; N384-V422 VanDerWaalsContact O-N 3.15Å; N384-H576 WeakPolarHBondContact CA-O 3.45Å
385	S	85	Confident	85.2	Confident	8 Å²	8	23.1 Å²	23.1	6%	0.056	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	140.2	172.7	54.8	0	0	0	0	112.8	R419 C420 G575 H576	S385-R419 VanDerWaalsContact CB-NH2 3.33Å; S385-R419 PolarHBondContact OG-NH2 3.26Å; S385-C420 CarbonylContact C-O 3.56Å; S385-C420 WeakPolarHBondContact CA-O 3.22Å; S385-G575 PolarHBondContact OG-O 2.95Å; S385-H576 PolarHBondContact N-O 2.91Å; S385-H576 WeakPolarHBondContact OG-CA 3.45Å; S385-H576 PolarHBondContact OG-O 2.82Å
386	I	87.2	Confident	86	Confident	2 Å²	2	27.9 Å²	27.9	1%	0.01	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	111.1	164	-51.4	174.4	0	0	0	106.5	A373 N378 V388 M401 I403 C420 V422 L450	A373-I386 HydrophobicContact CB-CG2 3.81Å; N378-I386 WeakPolarHBondContact ND2-CD1 3.16Å; N378-I386 WeakPolarHBondContact ND2-CG1 3.4Å; I386-V388 HydrophobicContact CG2-CG1 3.73Å; I386-M401 HydrophobicContact CD1-SD 4.5Å; I386-I403 HydrophobicContact CD1-CD1 4.01Å; I386-C420 PolarHBondContact N-O 3.46Å; I386-C420 PolarHBondContact O-N 2.97Å; I386-V422 HydrophobicContact CD1-CG2 3.58Å; I386-V422 HydrophobicContact CG1-CG2 3.98Å; I386-L450 HydrophobicContact CD1-CD2 3.83Å
387	N	87.6	Confident	86.8	Confident	19 Å²	19	25.8 Å²	25.8	10%	0.102	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	134.2	167.1	-53	-26	0	0	0	108.9	V221 A373 T374 A418 R419	V221-N387 HydrophobicContact CG1-CB 4.24Å; A373-N387 CarbonylContact C-O 3.52Å; A373-N387 WeakPolarHBondContact CA-O 2.99Å; T374-N387 HydrophobicContact CG2-CB 3.64Å; T374-N387 PolarHBondContact N-O 3.48Å; T374-N387 PolarHBondContact OG1-N 2Å; T374-N387 PolarHBondContact OG1-O 3.32Å; N387-A418 CarbonylContact C-O 3.52Å; N387-A418 WeakPolarHBondContact CA-O 3.27Å; N387-R419 WeakPolarHBondContact OD1-CG 3.03Å
388	V	88.8	Confident	87.3	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	155.2	-175.1	-62.8	0	0	0	0	112.5	L371 L372 A373 I386 M401 K417 A418 F435 I437	L371-V388 HydrophobicContact CD1-CB 3.9Å; L371-V388 HydrophobicContact CD1-CG2 4.29Å; L371-V388 HydrophobicContact CG-CB 4.32Å; L371-V388 HydrophobicContact CG-CG1 4.5Å; L372-V388 CarbonylContact O-C 3.6Å; L372-V388 WeakPolarHBondContact O-CA 3.22Å; A373-V388 HydrophobicContact CB-CG1 4.22Å; I386-V388 HydrophobicContact CG2-CG1 3.73Å; V388-M401 HydrophobicContact CB-CE 4.45Å; V388-M401 HydrophobicContact CG1-CE 3.56Å; V388-M401 HydrophobicContact CG2-CE 4.11Å; V388-K417 WeakPolarHBondContact O-CA 3.08Å; V388-A418 HydrophobicContact CG2-CB 4.12Å; V388-A418 PolarHBondContact N-O 3.31Å; V388-A418 PolarHBondContact O-N 3.21Å; V388-F435 HydrophobicContact CG1-CE2 3.96Å; V388-I437 HydrophobicContact CG2-CD1 3.44Å; V388-I437 VanDerWaalsContact CG2-CD1 3.44Å
389	S	86.3	Confident	87.8	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	147.7	179.3	-172.7	0	0	0	0	110.9	L372 V416	L372-S389 PolarHBondContact N-O 2.93Å; L372-S389 PolarHBondContact O-N 3.33Å; S389-V416 WeakPolarHBondContact CA-O 3.48Å; S389-V416 VanDerWaalsContact CB-O 3.26Å; S389-V416 WeakPolarHBondContact CB-O 3.38Å; S389-V416 PolarHBondContact OG-O 2.99Å
390	G	82.2	Confident	88.2	Confident	4 Å²	4	28.7 Å²	28.7	4%	0.041	15%	0.145	C	C	.	.	S	Bend	trans	158.3	-64.4	-179.4	0	0	0	0	0	110.9	W446	G390-W446 WeakPolarHBondContact O-CH2 3.24Å
391	P	82.3	Confident	88.4	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.145	C	C	.	.	B	Isolated β-bridge	trans	-69.5	150.6	173.7	-7.5	19.9	0	0	0	113.2	F393 I437 Q439 W446	P391-F393 HydrophobicContact CB-CD1 4.27Å; P391-F393 HydrophobicContact CB-CE1 3.87Å; P391-F393 HydrophobicContact CB-CE2 4.45Å; P391-F393 HydrophobicContact CB-CZ 3.98Å; P391-F393 HydrophobicContact CG-CE1 3.69Å; P391-F393 HydrophobicContact CG-CE2 4.29Å; P391-F393 HydrophobicContact CG-CZ 3.53Å; P391-F393 WeakPolarHBondContact O-CD2 3.46Å; P391-F393 WeakPolarHBondContact O-CE2 3.43Å; P391-F393 PolarHBondContact O-N 3.36Å; P391-F393 VanDerWaalsContact O-N 3.15Å; P391-I437 HydrophobicContact CG-CG2 3.77Å; P391-Q439 VanDerWaalsContact CB-CD 3.43Å; P391-Q439 HydrophobicContact CB-CG 3.86Å; P391-Q439 HydrophobicContact CG-CG 4.45Å; P391-W446 HydrophobicContact CB-CD2 4.46Å; P391-W446 HydrophobicContact CB-CG 4.49Å; P391-W446 HydrophobicContact CG-CB 4.24Å; P391-W446 HydrophobicContact CG-CD2 3.92Å; P391-W446 HydrophobicContact CG-CG 3.68Å
392	C	84	Confident	88.5	Confident	36 Å²	36	30.8 Å²	30.8	24%	0.243	16%	0.155	C	C	.	.			trans	-78.8	89.1	168	-65.5	0	0	0	0	110.4	M354 Q439	M354-C392 HydrophobicContact CE-CB 3.94Å; M354-C392 WeakPolarHBondContact CE-SG 3.35Å; M354-C392 HydrophobicContact SD-CB 4.43Å; C392-Q439 PolarHBondContact O-NE2 2.95Å
393	F	88.9	Confident	88.6	Confident	4 Å²	4	30.8 Å²	30.8	2%	0.018	16%	0.155	C	C	.	.			trans	-69.2	150.3	-177.7	-57.1	-72	0	0	0	112.4	P391 D397 I399 Y412 M415 A418 I437 Q439	P391-F393 HydrophobicContact CB-CD1 4.27Å; P391-F393 HydrophobicContact CB-CE1 3.87Å; P391-F393 HydrophobicContact CB-CE2 4.45Å; P391-F393 HydrophobicContact CB-CZ 3.98Å; P391-F393 HydrophobicContact CG-CE1 3.69Å; P391-F393 HydrophobicContact CG-CE2 4.29Å; P391-F393 HydrophobicContact CG-CZ 3.53Å; P391-F393 WeakPolarHBondContact O-CD2 3.46Å; P391-F393 WeakPolarHBondContact O-CE2 3.43Å; P391-F393 PolarHBondContact O-N 3.36Å; P391-F393 VanDerWaalsContact O-N 3.15Å; F393-D397 WeakPolarHBondContact CA-OD2 3.4Å; F393-I399 HydrophobicContact CB-CD1 4.33Å; F393-I399 HydrophobicContact CD1-CD1 3.58Å; F393-I399 HydrophobicContact CD1-CG1 4.09Å; F393-I399 HydrophobicContact CD1-CG2 4.41Å; F393-I399 HydrophobicContact CE1-CD1 4.17Å; F393-I399 HydrophobicContact CE1-CG2 3.98Å; F393-I399 HydrophobicContact CG-CD1 4.16Å; F393-Y412 HydrophobicContact CB-CD2 3.75Å; F393-Y412 HydrophobicContact CB-CE2 3.9Å; F393-M415 PolarHBondContact N-O 2.84Å; F393-M415 WeakPolarHBondContact O-CA 3.09Å; F393-A418 HydrophobicContact CD1-CB 4.19Å; F393-A418 HydrophobicContact CD2-CB 4.12Å; F393-A418 HydrophobicContact CE1-CB 3.82Å; F393-A418 HydrophobicContact CE2-CB 3.74Å; F393-A418 HydrophobicContact CG-CB 4.32Å; F393-A418 HydrophobicContact CZ-CB 3.58Å; F393-I437 HydrophobicContact CE1-CD1 3.9Å; F393-I437 HydrophobicContact CE1-CG1 4.43Å; F393-I437 HydrophobicContact CZ-CD1 3.83Å; F393-Q439 HydrophobicContact CD1-CG 4.17Å; F393-Q439 HydrophobicContact CE1-CG 4.26Å
394	R	91.5	Very high	88.5	Confident	126 Å²	126	32.3 Å²	32.3	48%	0.475	16%	0.162	S	C	.	.			trans	-123.7	152.9	170.6	-56.9	170	173	162.6	-4.1	110.1	Q396 D397 Y412	R394-Q396 PolarHBondContact O-N 2.83Å; R394-Q396 VanDerWaalsContact O-N 3.08Å; R394-D397 WeakPolarHBondContact CB-OD1 3.24Å; R394-D397 PolarHBondContact N-OD2 3.43Å; R394-D397 WeakPolarHBondContact O-CB 3.26Å; R394-D397 PolarHBondContact O-N 3.45Å; R394-Y412 VanDerWaalsContact C-CD2 3.42Å; R394-Y412 VanDerWaalsContact C-CE2 3.43Å; R394-Y412 WeakPolarHBondContact O-CD2 3.43Å
395	P	90	Very high	88.4	Confident	92 Å²	92	39.7 Å²	39.7	60%	0.597	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-28.7	179	-26.5	34.3	0	0	0	114.5	Y412	P395-Y412 HydrophobicContact CB-CD1 4.44Å; P395-Y412 HydrophobicContact CB-CE1 4.32Å; P395-Y412 HydrophobicContact CG-CD1 4.45Å; P395-Y412 HydrophobicContact CG-CE1 3.87Å; P395-Y412 HydrophobicContact CG-CE2 4.31Å
396	Q	91.1	Very high	88.5	Confident	144 Å²	144	43.8 Å²	43.8	67%	0.673	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.2	2.3	179.6	69.3	-89	20.6	0	0	115.1	R394	R394-Q396 PolarHBondContact O-N 2.83Å; R394-Q396 VanDerWaalsContact O-N 3.08Å
397	D	90.9	Very high	88.7	Confident	35 Å²	35	48.3 Å²	48.3	19%	0.187	24%	0.238	C	C	.	.			trans	-69.6	142.1	178.5	-71.8	-8	0	0	0	110.2	F393 R394 I399 Q439	F393-D397 WeakPolarHBondContact CA-OD2 3.4Å; R394-D397 WeakPolarHBondContact CB-OD1 3.24Å; R394-D397 PolarHBondContact N-OD2 3.43Å; R394-D397 WeakPolarHBondContact O-CB 3.26Å; R394-D397 PolarHBondContact O-N 3.45Å; D397-I399 HydrophobicContact CB-CD1 4.43Å; D397-I399 HydrophobicContact CB-CG1 3.84Å; D397-I399 PolarHBondContact O-N 3.47Å; D397-Q439 HydrophobicContact CB-CB 4.42Å; D397-Q439 PolarHBondContact OD2-NE2 3.48Å
398	H	92.2	Very high	89	Confident	107 Å²	107	48.3 Å²	48.3	50%	0.495	24%	0.237	S	C	.	.	B	Isolated β-bridge	trans	-93	89.9	171.4	-176.6	44.8	0	0	0	108.5	D409 Q439 D440 G441	H398-D409 IonicContact CE1-OD1 2.97Å; H398-D409 PolarHBondContact CE1-OD1 3.35Å; H398-D409 IonicContact NE2-OD1 3.12Å; H398-Q439 CarbonylContact C-O 3.56Å; H398-Q439 PolarHBondContact N-O 3.37Å; H398-Q439 CarbonylContact O-C 3.52Å; H398-D440 PolarHBondContact O-N 2.88Å; H398-G441 PolarHBondContact O-N 3.39Å
399	I	94	Very high	89.1	Confident	4 Å²	4	53.5 Å²	53.5	2%	0.021	27%	0.265	C	S	.	.			trans	-86.7	119.5	-170.2	-49.2	173.3	0	0	0	109.4	F393 D397 C410 A418 I437 S438	F393-I399 HydrophobicContact CB-CD1 4.33Å; F393-I399 HydrophobicContact CD1-CD1 3.58Å; F393-I399 HydrophobicContact CD1-CG1 4.09Å; F393-I399 HydrophobicContact CD1-CG2 4.41Å; F393-I399 HydrophobicContact CE1-CD1 4.17Å; F393-I399 HydrophobicContact CE1-CG2 3.98Å; F393-I399 HydrophobicContact CG-CD1 4.16Å; D397-I399 HydrophobicContact CB-CD1 4.43Å; D397-I399 HydrophobicContact CB-CG1 3.84Å; D397-I399 PolarHBondContact O-N 3.47Å; I399-C410 HydrophobicContact CB-CB 4.02Å; I399-C410 HydrophobicContact CG2-CB 3.69Å; I399-C410 WeakPolarHBondContact O-CB 3.34Å; I399-C410 PolarHBondContact O-N 3.05Å; I399-A418 HydrophobicContact CD1-CB 3.99Å; I399-A418 HydrophobicContact CG2-CB 4.12Å; I399-I437 HydrophobicContact CG2-CD1 3.55Å; I399-I437 HydrophobicContact CG2-CG1 3.75Å; I399-S438 VanDerWaalsContact CA-O 3.28Å; I399-S438 WeakPolarHBondContact CA-O 3.37Å
400	T	94.6	Very high	89.4	Confident	5 Å²	5	54.2 Å²	54.2	3%	0.031	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	146.8	176.4	62.3	0	0	0	0	110.8	F408 I437 S438 Y444	T400-F408 CarbonylContact C-O 3.54Å; T400-F408 WeakPolarHBondContact CA-O 3.45Å; T400-I437 WeakPolarHBondContact O-CA 3.17Å; T400-I437 WeakPolarHBondContact O-CG1 3.43Å; T400-S438 PolarHBondContact N-O 2.87Å; T400-S438 PolarHBondContact O-N 2.85Å; T400-Y444 PolarHBondContact OG1-OH 3.42Å
401	M	93	Very high	89.7	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	139.1	175.9	177.2	174.1	-75.3	0	0	110.4	I386 V388 I403 I407 F408 C410 C420 F435 Q436	I386-M401 HydrophobicContact CD1-SD 4.5Å; V388-M401 HydrophobicContact CB-CE 4.45Å; V388-M401 HydrophobicContact CG1-CE 3.56Å; V388-M401 HydrophobicContact CG2-CE 4.11Å; M401-I403 HydrophobicContact CG-CD1 4.39Å; M401-I403 HydrophobicContact CG-CG1 3.98Å; M401-I403 HydrophobicContact SD-CD1 3.81Å; M401-I403 HydrophobicContact SD-CG1 4.02Å; M401-I407 WeakPolarHBondContact O-CA 3.39Å; M401-F408 HydrophobicContact CB-CE1 4.28Å; M401-F408 HydrophobicContact CB-CE2 4.17Å; M401-F408 HydrophobicContact CB-CZ 3.93Å; M401-F408 HydrophobicContact CG-CE1 4.19Å; M401-F408 HydrophobicContact CG-CZ 3.85Å; M401-F408 PolarHBondContact N-O 2.93Å; M401-F408 WeakPolarHBondContact O-CD1 3.42Å; M401-F408 PolarHBondContact O-N 3.15Å; M401-F408 HydrophobicContact SD-CE2 4.39Å; M401-F408 HydrophobicContact SD-CZ 3.78Å; M401-C410 WeakPolarHBondContact CB-SG 3.31Å; M401-C420 HydrophobicContact CB-CB 4.37Å; M401-C420 HydrophobicContact CE-CB 3.78Å; M401-C420 WeakPolarHBondContact CE-SG 3.34Å; M401-C420 HydrophobicContact SD-CB 3.73Å; M401-F435 HydrophobicContact CE-CD2 3.88Å; M401-F435 HydrophobicContact CE-CE2 4.22Å; M401-F435 HydrophobicContact SD-CD2 4.2Å; M401-Q436 CarbonylContact C-O 3.58Å; M401-Q436 VanDerWaalsContact CA-O 3.31Å; M401-Q436 WeakPolarHBondContact CA-O 3.32Å
402	E	92.5	Very high	90.1	Very high	44 Å²	44	58.8 Å²	58.8	21%	0.206	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	127.4	170.4	-172.8	-174.6	159.2	0	0	109.7	E406 I407 F435 Q436 Y444	E402-E406 CarbonylContact C-O 3.46Å; E402-E406 VanDerWaalsContact CA-O 3.27Å; E402-E406 WeakPolarHBondContact CA-O 3.25Å; E402-I407 HydrophobicContact CB-CG1 4.01Å; E402-I407 HydrophobicContact CG-CG1 3.9Å; E402-F435 CarbonylContact O-C 3.55Å; E402-F435 VanDerWaalsContact O-CA 3.23Å; E402-F435 WeakPolarHBondContact O-CA 3.49Å; E402-Q436 HydrophobicContact CB-CG 3.79Å; E402-Q436 PolarHBondContact N-O 2.03Å; E402-Q436 PolarHBondContact O-N 2.91Å; E402-Q436 PolarHBondContact OE2-NE2 3.2Å; E402-Y444 HydrophobicContact CB-CD1 4.31Å; E402-Y444 HydrophobicContact CB-CE1 3.95Å
403	I	89.2	Confident	90.2	Very high	1 Å²	1	60 Å²	60	1%	0.005	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	122.3	171.4	-59.3	178.6	0	0	0	107.3	I386 M401 E405 E406 F408 V422 M426 V427 V433 F435	I386-I403 HydrophobicContact CD1-CD1 4.01Å; M401-I403 HydrophobicContact CG-CD1 4.39Å; M401-I403 HydrophobicContact CG-CG1 3.98Å; M401-I403 HydrophobicContact SD-CD1 3.81Å; M401-I403 HydrophobicContact SD-CG1 4.02Å; I403-E405 PolarHBondContact O-N 3.07Å; I403-E406 PolarHBondContact N-O 3.3Å; I403-E406 WeakPolarHBondContact O-CB 3.46Å; I403-E406 PolarHBondContact O-N 2.74Å; I403-F408 HydrophobicContact CB-CE1 4.39Å; I403-F408 HydrophobicContact CD1-CE1 3.96Å; I403-F408 HydrophobicContact CD1-CZ 3.8Å; I403-F408 HydrophobicContact CG1-CE1 3.99Å; I403-F408 HydrophobicContact CG1-CZ 4.24Å; I403-V422 HydrophobicContact CD1-CG2 3.85Å; I403-M426 HydrophobicContact CB-CE 4.2Å; I403-V427 HydrophobicContact CG2-CG2 4.33Å; I403-V433 HydrophobicContact CG2-CG1 3.96Å; I403-F435 HydrophobicContact CG1-CB 3.76Å
404	D	81.9	Confident	90.2	Very high	35 Å²	35	60.6 Å²	60.6	19%	0.187	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	48.6	176.8	-167.6	43.8	0	0	0	113.9	E406 K429 V433 K723	D404-E406 PolarHBondContact O-N 2.86Å; D404-K429 VanDerWaalsContact OD1-CE 3.31Å; D404-K429 WeakPolarHBondContact OD1-CE 3.26Å; D404-K429 IonicContact OD1-NZ 3.88Å; D404-K429 PolarHBondContact OD1-NZ 3.45Å; D404-K429 WeakPolarHBondContact OD2-CD 3.47Å; D404-K429 WeakPolarHBondContact OD2-CE 3.42Å; D404-K429 IonicContact OD2-NZ 2.97Å; D404-K429 PolarHBondContact OD2-NZ 2.83Å; D404-V433 HydrophobicContact CB-CG1 4.03Å; D404-K723 WeakPolarHBondContact OD2-CE 3.14Å; D404-K723 IonicContact OD2-NZ 3.88Å; D404-K723 PolarHBondContact OD2-NZ 2.93Å
405	E	82.8	Confident	90	Very high	168 Å²	168	58.1 Å²	58.1	79%	0.785	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.1	4.1	-179.9	-52.5	172.7	-178	0	0	115	I403	I403-E405 PolarHBondContact O-N 3.07Å
406	E	87.5	Confident	89.9	Confident	94 Å²	94	53.7 Å²	53.7	44%	0.439	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	130.6	-177.6	-65.7	-74.8	175.1	0	0	110.1	E402 I403 D404 M426	E402-E406 CarbonylContact C-O 3.46Å; E402-E406 VanDerWaalsContact CA-O 3.27Å; E402-E406 WeakPolarHBondContact CA-O 3.25Å; I403-E406 PolarHBondContact N-O 3.3Å; I403-E406 WeakPolarHBondContact O-CB 3.46Å; I403-E406 PolarHBondContact O-N 2.74Å; D404-E406 PolarHBondContact O-N 2.86Å; E406-M426 HydrophobicContact CB-CE 3.12Å; E406-M426 HydrophobicContact CB-CG 3.71Å; E406-M426 HydrophobicContact CB-SD 3.7Å; E406-M426 HydrophobicContact CG-CE 4.18Å; E406-M426 HydrophobicContact CG-CG 3.75Å; E406-M426 HydrophobicContact CG-SD 4.4Å; E406-M426 WeakPolarHBondContact O-CE 3.24Å
407	I	92.2	Very high	89.7	Confident	97 Å²	97	47.7 Å²	47.7	50%	0.497	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	135.9	-172.1	-61.8	171.1	0	0	0	110.7	M401 E402 Y444	M401-I407 WeakPolarHBondContact O-CA 3.39Å; E402-I407 HydrophobicContact CB-CG1 4.01Å; E402-I407 HydrophobicContact CG-CG1 3.9Å; I407-Y444 HydrophobicContact CD1-CE2 4.4Å; I407-Y444 WeakPolarHBondContact CG2-OH 3.48Å
408	F	92.5	Very high	89.7	Confident	19 Å²	19	46 Å²	46	8%	0.083	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	161	177.2	59.4	-83.2	0	0	0	112.8	T400 M401 I403 C420 I421 V422 P423 M426	T400-F408 CarbonylContact C-O 3.54Å; T400-F408 WeakPolarHBondContact CA-O 3.45Å; M401-F408 HydrophobicContact CB-CE1 4.28Å; M401-F408 HydrophobicContact CB-CE2 4.17Å; M401-F408 HydrophobicContact CB-CZ 3.93Å; M401-F408 HydrophobicContact CG-CE1 4.19Å; M401-F408 HydrophobicContact CG-CZ 3.85Å; M401-F408 PolarHBondContact N-O 2.93Å; M401-F408 WeakPolarHBondContact O-CD1 3.42Å; M401-F408 PolarHBondContact O-N 3.15Å; M401-F408 HydrophobicContact SD-CE2 4.39Å; M401-F408 HydrophobicContact SD-CZ 3.78Å; I403-F408 HydrophobicContact CB-CE1 4.39Å; I403-F408 HydrophobicContact CD1-CE1 3.96Å; I403-F408 HydrophobicContact CD1-CZ 3.8Å; I403-F408 HydrophobicContact CG1-CE1 3.99Å; I403-F408 HydrophobicContact CG1-CZ 4.24Å; F408-C420 HydrophobicContact CE2-CB 3.94Å; F408-I421 WeakPolarHBondContact CD2-O 3.42Å; F408-I421 WeakPolarHBondContact CE2-O 3.27Å; F408-V422 HydrophobicContact CZ-CG2 4.14Å; F408-P423 HydrophobicContact CB-CG 3.71Å; F408-P423 HydrophobicContact CD1-CG 4.08Å; F408-P423 HydrophobicContact CD2-CG 4.16Å; F408-P423 HydrophobicContact CG-CG 3.72Å; F408-M426 HydrophobicContact CD1-CE 3.5Å; F408-M426 VanDerWaalsContact CD1-CE 3.5Å; F408-M426 HydrophobicContact CD1-SD 4.11Å; F408-M426 HydrophobicContact CE1-CE 3.53Å
409	D	92.3	Very high	89.5	Confident	108 Å²	108	41.1 Å²	41.1	58%	0.578	20%	0.203	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-75.7	144.6	-176.8	-67	-31.3	0	0	0	112.9	H398	H398-D409 IonicContact CE1-OD1 2.97Å; H398-D409 PolarHBondContact CE1-OD1 3.35Å; H398-D409 IonicContact NE2-OD1 3.12Å
410	C	91.7	Very high	89.3	Confident	16 Å²	16	41 Å²	41	11%	0.108	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	169.4	172.5	-60	0	0	0	0	110.8	I399 M401 R419 C420	I399-C410 HydrophobicContact CB-CB 4.02Å; I399-C410 HydrophobicContact CG2-CB 3.69Å; I399-C410 WeakPolarHBondContact O-CB 3.34Å; I399-C410 PolarHBondContact O-N 3.05Å; M401-C410 WeakPolarHBondContact CB-SG 3.31Å; C410-R419 CarbonylContact C-O 3.53Å; C410-R419 WeakPolarHBondContact CA-O 3.45Å; C410-R419 WeakPolarHBondContact CB-O 3.38Å; C410-C420 HydrophobicContact CB-CB 4.06Å; C410-C420 WeakPolarHBondContact CB-SG 3.4Å; C410-C420 WeakPolarHBondContact SG-CB 3.26Å; C410-C420 CovalentContact SG-SG 2.03Å; C410-C420 PolarHBondContact SG-SG 2.99Å
411	S	89.1	Confident	89	Confident	23 Å²	23	42 Å²	42	16%	0.161	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	141.6	179.2	-65.5	0	0	0	0	112.4	A418 R419 W571	S411-A418 CarbonylContact O-C 3.48Å; S411-A418 WeakPolarHBondContact O-CA 3.48Å; S411-R419 PolarHBondContact N-O 2.91Å; S411-R419 PolarHBondContact O-N 2.93Å; S411-W571 VanDerWaalsContact CB-CE3 3.49Å; S411-W571 WeakPolarHBondContact OG-CH2 3.29Å; S411-W571 WeakPolarHBondContact OG-CZ3 3.3Å
412	Y	90.5	Very high	88.8	Confident	76 Å²	76	42.1 Å²	42.1	30%	0.298	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	129	172.3	175.3	-91.2	0	0	0	110.3	F393 R394 P395 N414 M415	F393-Y412 HydrophobicContact CB-CD2 3.75Å; F393-Y412 HydrophobicContact CB-CE2 3.9Å; R394-Y412 VanDerWaalsContact C-CD2 3.42Å; R394-Y412 VanDerWaalsContact C-CE2 3.43Å; R394-Y412 WeakPolarHBondContact O-CD2 3.43Å; P395-Y412 HydrophobicContact CB-CD1 4.44Å; P395-Y412 HydrophobicContact CB-CE1 4.32Å; P395-Y412 HydrophobicContact CG-CD1 4.45Å; P395-Y412 HydrophobicContact CG-CE1 3.87Å; P395-Y412 HydrophobicContact CG-CE2 4.31Å; Y412-N414 VanDerWaalsContact CE2-O 3.25Å; Y412-N414 WeakPolarHBondContact CE2-O 3.48Å; Y412-N414 VanDerWaalsContact OH-C 3.28Å; Y412-N414 WeakPolarHBondContact OH-CA 3.41Å; Y412-M415 PolarHBondContact OH-N 3.11Å; Y412-M415 VanDerWaalsContact OH-N 3.13Å
413	I	86.7	Confident	88.6	Confident	62 Å²	62	42.3 Å²	42.3	32%	0.318	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	-58.4	167.3	-54	-179.6	0	0	0	108.9	K417 R419	I413-K417 HydrophobicContact CB-CB 4.16Å; I413-K417 WeakPolarHBondContact CB-O 3.46Å; I413-K417 HydrophobicContact CD1-CB 4.12Å; I413-K417 PolarHBondContact N-O 2.04Å; I413-R419 HydrophobicContact CD1-CB 3.9Å; I413-R419 HydrophobicContact CG1-CB 3.94Å
414	N	87.8	Confident	88.6	Confident	16 Å²	16	44.9 Å²	44.9	9%	0.086	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	-179.2	178.9	65.2	34.3	0	0	0	108.8	E218 Y412 V416 K417	E218-N414 PolarHBondContact O-ND2 2.97Å; Y412-N414 VanDerWaalsContact CE2-O 3.25Å; Y412-N414 WeakPolarHBondContact CE2-O 3.48Å; Y412-N414 VanDerWaalsContact OH-C 3.28Å; Y412-N414 WeakPolarHBondContact OH-CA 3.41Å; N414-V416 PolarHBondContact O-N 3.02Å; N414-V416 WeakPolarHBondContact OD1-CA 3.43Å; N414-V416 PolarHBondContact OD1-N 3.09Å; N414-K417 PolarHBondContact N-O 3.08Å; N414-K417 PolarHBondContact O-N 2.85Å; N414-K417 PolarHBondContact OD1-N 3.05Å
415	M	88	Confident	88.7	Confident	74 Å²	74	45.8 Å²	45.8	37%	0.365	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-20.1	-176.3	67.3	-173.5	-73.2	0	0	114.5	Q336 M354 F393 Y412	Q336-M415 HydrophobicContact CB-SD 4.29Å; Q336-M415 HydrophobicContact CG-CG 3.85Å; Q336-M415 HydrophobicContact CG-SD 4.03Å; M354-M415 HydrophobicContact CE-CE 4.09Å; M354-M415 HydrophobicContact CE-CG 4.38Å; M354-M415 WeakPolarHBondContact CE-O 3.48Å; F393-M415 PolarHBondContact N-O 2.84Å; F393-M415 WeakPolarHBondContact O-CA 3.09Å; Y412-M415 PolarHBondContact OH-N 3.11Å; Y412-M415 VanDerWaalsContact OH-N 3.13Å
416	V	86.7	Confident	88.7	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	-17.6	-175.7	-163.7	0	0	0	0	112.1	N219 Q336 I352 M354 S389 N414	N219-V416 WeakPolarHBondContact O-CG1 3.34Å; Q336-V416 HydrophobicContact CG-CG2 4.05Å; I352-V416 HydrophobicContact CD1-CG1 4.31Å; I352-V416 HydrophobicContact CG2-CG1 4.04Å; M354-V416 HydrophobicContact CE-CB 4.46Å; M354-V416 HydrophobicContact CE-CG2 4.12Å; M354-V416 HydrophobicContact SD-CB 4.46Å; M354-V416 HydrophobicContact SD-CG1 4.15Å; S389-V416 WeakPolarHBondContact CA-O 3.48Å; S389-V416 VanDerWaalsContact CB-O 3.26Å; S389-V416 WeakPolarHBondContact CB-O 3.38Å; S389-V416 PolarHBondContact OG-O 2.99Å; N414-V416 PolarHBondContact O-N 3.02Å; N414-V416 WeakPolarHBondContact OD1-CA 3.43Å; N414-V416 PolarHBondContact OD1-N 3.09Å
417	K	87.9	Confident	88.5	Confident	17 Å²	17	34.6 Å²	34.6	7%	0.074	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	136.1	-169.4	-65	-178.1	176.3	-179.1	0	113.3	R217 E218 M220 V221 V388 I413 N414	R217-K417 PolarHBondContact O-NZ 3.18Å; E218-K417 WeakPolarHBondContact O-CD 3.3Å; E218-K417 WeakPolarHBondContact O-CE 3.47Å; E218-K417 PolarHBondContact O-NZ 3.41Å; E218-K417 VanDerWaalsContact O-NZ 3.16Å; M220-K417 VanDerWaalsContact C-NZ 3.33Å; M220-K417 VanDerWaalsContact O-CE 3.29Å; M220-K417 WeakPolarHBondContact O-CE 3.36Å; M220-K417 PolarHBondContact O-NZ 3.47Å; V221-K417 HydrophobicContact CG1-CD 4.26Å; V221-K417 HydrophobicContact CG1-CG 4.15Å; V388-K417 WeakPolarHBondContact O-CA 3.08Å; I413-K417 HydrophobicContact CB-CB 4.16Å; I413-K417 WeakPolarHBondContact CB-O 3.46Å; I413-K417 HydrophobicContact CD1-CB 4.12Å; I413-K417 PolarHBondContact N-O 2.04Å; N414-K417 PolarHBondContact N-O 3.08Å; N414-K417 PolarHBondContact O-N 2.85Å; N414-K417 PolarHBondContact OD1-N 3.05Å
418	A	89.7	Confident	88.2	Confident	0 Å²	0	30 Å²	30	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	154.9	164.3	0	0	0	0	0	110	N387 V388 F393 I399 S411 I437	N387-A418 CarbonylContact C-O 3.52Å; N387-A418 WeakPolarHBondContact CA-O 3.27Å; V388-A418 HydrophobicContact CG2-CB 4.12Å; V388-A418 PolarHBondContact N-O 3.31Å; V388-A418 PolarHBondContact O-N 3.21Å; F393-A418 HydrophobicContact CD1-CB 4.19Å; F393-A418 HydrophobicContact CD2-CB 4.12Å; F393-A418 HydrophobicContact CE1-CB 3.82Å; F393-A418 HydrophobicContact CE2-CB 3.74Å; F393-A418 HydrophobicContact CG-CB 4.32Å; F393-A418 HydrophobicContact CZ-CB 3.58Å; I399-A418 HydrophobicContact CD1-CB 3.99Å; I399-A418 HydrophobicContact CG2-CB 4.12Å; S411-A418 CarbonylContact O-C 3.48Å; S411-A418 WeakPolarHBondContact O-CA 3.48Å; A418-I437 HydrophobicContact CB-CD1 4.24Å
419	R	89	Confident	87.8	Confident	5 Å²	5	30.7 Å²	30.7	2%	0.019	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	129.1	176.7	176.1	174.2	173.5	143.3	13.1	109.5	S385 N387 C410 S411 I413 D573 Y574 G575	S385-R419 VanDerWaalsContact CB-NH2 3.33Å; S385-R419 PolarHBondContact OG-NH2 3.26Å; N387-R419 WeakPolarHBondContact OD1-CG 3.03Å; C410-R419 CarbonylContact C-O 3.53Å; C410-R419 WeakPolarHBondContact CA-O 3.45Å; C410-R419 WeakPolarHBondContact CB-O 3.38Å; S411-R419 PolarHBondContact N-O 2.91Å; S411-R419 PolarHBondContact O-N 2.93Å; I413-R419 HydrophobicContact CD1-CB 3.9Å; I413-R419 HydrophobicContact CG1-CB 3.94Å; R419-D573 VanDerWaalsContact NH1-C 3.29Å; R419-D573 PolarHBondContact NH1-O 3.08Å; R419-Y574 VanDerWaalsContact NH1-CA 3.34Å; R419-G575 PolarHBondContact NH1-O 3.48Å; R419-G575 PolarHBondContact NH2-O 2.89Å
420	C	89.7	Confident	87.6	Confident	0 Å²	0	26 Å²	26	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	122.7	177.7	-58.3	0	0	0	0	108.7	S385 I386 M401 F408 C410	S385-C420 CarbonylContact C-O 3.56Å; S385-C420 WeakPolarHBondContact CA-O 3.22Å; I386-C420 PolarHBondContact N-O 3.46Å; I386-C420 PolarHBondContact O-N 2.97Å; M401-C420 HydrophobicContact CB-CB 4.37Å; M401-C420 HydrophobicContact CE-CB 3.78Å; M401-C420 WeakPolarHBondContact CE-SG 3.34Å; M401-C420 HydrophobicContact SD-CB 3.73Å; F408-C420 HydrophobicContact CE2-CB 3.94Å; C410-C420 HydrophobicContact CB-CB 4.06Å; C410-C420 WeakPolarHBondContact CB-SG 3.4Å; C410-C420 WeakPolarHBondContact SG-CB 3.26Å; C410-C420 CovalentContact SG-SG 2.03Å; C410-C420 PolarHBondContact SG-SG 2.99Å
421	I	87.6	Confident	87.5	Confident	28 Å²	28	25.3 Å²	25.3	14%	0.144	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	114.4	175.3	-61.2	175.4	0	0	0	106.8	F408 P423 Y569 W571 Y577	F408-I421 WeakPolarHBondContact CD2-O 3.42Å; F408-I421 WeakPolarHBondContact CE2-O 3.27Å; I421-P423 WeakPolarHBondContact O-CD 3.39Å; I421-Y569 HydrophobicContact CD1-CE1 4.18Å; I421-W571 HydrophobicContact CD1-CZ3 4.01Å; I421-Y577 HydrophobicContact CD1-CD1 4.17Å; I421-Y577 HydrophobicContact CD1-CG 4.27Å; I421-Y577 HydrophobicContact CG2-CD1 4.48Å
422	V	88.9	Confident	87.5	Confident	1 Å²	1	26.9 Å²	26.9	1%	0.006	14%	0.139	C	C	.	.	P	Polyproline II helix	trans	-67	126.5	-178.2	-179.1	0	0	0	0	108.9	N378 G383 N384 I386 I403 F408 V427	N378-V422 WeakPolarHBondContact ND2-CG2 3.34Å; G383-V422 VanDerWaalsContact CA-O 3.3Å; G383-V422 WeakPolarHBondContact CA-O 3.44Å; G383-V422 PolarHBondContact N-O 2.93Å; N384-V422 PolarHBondContact O-N 3.26Å; N384-V422 VanDerWaalsContact O-N 3.15Å; I386-V422 HydrophobicContact CD1-CG2 3.58Å; I386-V422 HydrophobicContact CG1-CG2 3.98Å; I403-V422 HydrophobicContact CD1-CG2 3.85Å; F408-V422 HydrophobicContact CZ-CG2 4.14Å; V422-V427 HydrophobicContact CG1-CG2 4.33Å
423	P	89.7	Confident	87.4	Confident	48 Å²	48	23.6 Å²	23.6	31%	0.312	13%	0.127	S	C	.	.	P	Polyproline II helix	trans	-60	151	177.5	-25.6	34.7	0	0	0	113	F408 I421 M426	F408-P423 HydrophobicContact CB-CG 3.71Å; F408-P423 HydrophobicContact CD1-CG 4.08Å; F408-P423 HydrophobicContact CD2-CG 4.16Å; F408-P423 HydrophobicContact CG-CG 3.72Å; I421-P423 WeakPolarHBondContact O-CD 3.39Å; P423-M426 HydrophobicContact CB-CB 4.46Å; P423-M426 HydrophobicContact CB-SD 3.91Å; P423-M426 HydrophobicContact CG-SD 3.72Å
424	L	88.5	Confident	87.5	Confident	55 Å²	55	24.6 Å²	24.6	29%	0.288	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	153.2	173.8	-59.4	-177.8	0	0	0	110.8	I381 G383 M426 W510 W580	I381-L424 HydrophobicContact CG2-CD2 4.45Å; I381-L424 WeakPolarHBondContact O-CA 3.16Å; G383-L424 VanDerWaalsContact CA-CD2 3.5Å; L424-M426 PolarHBondContact O-N 3.03Å; L424-M426 VanDerWaalsContact O-N 3.15Å; L424-W510 HydrophobicContact CD1-CH2 3.35Å; L424-W510 HydrophobicContact CD1-CZ2 3.47Å; L424-W510 VanDerWaalsContact CD1-CZ2 3.47Å; L424-W510 HydrophobicContact CD1-CZ3 4.15Å; L424-W580 HydrophobicContact CD2-CH2 4.25Å; L424-W580 HydrophobicContact CD2-CZ2 3.53Å
425	N	84.2	Confident	87.6	Confident	54 Å²	54	23.9 Å²	23.9	29%	0.289	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.4	10.3	173.7	-68.2	-31.9	0	0	0	116.9	I381 F428 R519 Y521	I381-N425 PolarHBondContact O-N 3Å; N425-F428 VanDerWaalsContact CA-CE2 3.47Å; N425-F428 HydrophobicContact CB-CE2 4.39Å; N425-F428 WeakPolarHBondContact OD1-CE2 3.46Å; N425-F428 WeakPolarHBondContact OD1-CZ 3.44Å; N425-R519 PolarHBondContact O-NH2 2.89Å; N425-R519 PolarHBondContact OD1-NH1 3.27Å; N425-Y521 PolarHBondContact ND2-O 2.99Å; N425-Y521 WeakPolarHBondContact OD1-CB 3.36Å; N425-Y521 WeakPolarHBondContact OD1-CD1 3.42Å
426	M	81.9	Confident	87.7	Confident	26 Å²	26	22.5 Å²	22.5	13%	0.128	13%	0.125	C	C	.	.	S	Bend	trans	-90.3	-52.8	-173.3	-172.7	172	132.1	0	0	113.8	I403 E406 F408 P423 L424	I403-M426 HydrophobicContact CB-CE 4.2Å; E406-M426 HydrophobicContact CB-CE 3.12Å; E406-M426 HydrophobicContact CB-CG 3.71Å; E406-M426 HydrophobicContact CB-SD 3.7Å; E406-M426 HydrophobicContact CG-CE 4.18Å; E406-M426 HydrophobicContact CG-CG 3.75Å; E406-M426 HydrophobicContact CG-SD 4.4Å; E406-M426 WeakPolarHBondContact O-CE 3.24Å; F408-M426 HydrophobicContact CD1-CE 3.5Å; F408-M426 VanDerWaalsContact CD1-CE 3.5Å; F408-M426 HydrophobicContact CD1-SD 4.11Å; F408-M426 HydrophobicContact CE1-CE 3.53Å; P423-M426 HydrophobicContact CB-CB 4.46Å; P423-M426 HydrophobicContact CB-SD 3.91Å; P423-M426 HydrophobicContact CG-SD 3.72Å; L424-M426 PolarHBondContact O-N 3.03Å; L424-M426 VanDerWaalsContact O-N 3.15Å
427	V	84.1	Confident	87.9	Confident	2 Å²	2	22.5 Å²	22.5	1%	0.012	13%	0.125	C	C	.	.			trans	-84.4	-59.1	-165	-178.1	0	0	0	0	113.3	I403 V422 K429 I452 K723	I403-V427 HydrophobicContact CG2-CG2 4.33Å; V422-V427 HydrophobicContact CG1-CG2 4.33Å; V427-K429 HydrophobicContact CG1-CG 3.66Å; V427-K429 PolarHBondContact O-N 3.49Å; V427-I452 HydrophobicContact CG1-CB 4.46Å; V427-I452 HydrophobicContact CG1-CD1 4.01Å; V427-I452 HydrophobicContact CG1-CG1 3.86Å; V427-I452 HydrophobicContact CG1-CG2 3.98Å; V427-K723 WeakPolarHBondContact O-CE 3.43Å
428	F	85.8	Confident	88.1	Confident	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.122	C	C	.	.			trans	42.6	35.9	175.4	-79.4	-102.1	0	0	0	116.4	M380 I381 N425 Y512 R519 Y521 K723 V728 W731	M380-F428 VanDerWaalsContact CE-C 3.48Å; M380-F428 VanDerWaalsContact CE-CA 3.48Å; M380-F428 HydrophobicContact CE-CB 4.05Å; M380-F428 HydrophobicContact CE-CD1 3.81Å; M380-F428 HydrophobicContact CE-CG 4.15Å; M380-F428 PolarHBondContact O-N 3.41Å; I381-F428 HydrophobicContact CG1-CZ 4.48Å; N425-F428 VanDerWaalsContact CA-CE2 3.47Å; N425-F428 HydrophobicContact CB-CE2 4.39Å; N425-F428 WeakPolarHBondContact OD1-CE2 3.46Å; N425-F428 WeakPolarHBondContact OD1-CZ 3.44Å; F428-Y512 HydrophobicContact CE1-CE2 4.41Å; F428-R519 VanDerWaalsContact CD1-CZ 3.41Å; F428-R519 VanDerWaalsContact CE2-NH1 3.26Å; F428-R519 VanDerWaalsContact CG-NH2 3.33Å; F428-Y521 HydrophobicContact CZ-CD1 4.02Å; F428-Y521 HydrophobicContact CZ-CG 4.17Å; F428-K723 HydrophobicContact CB-CG 4.48Å; F428-V728 HydrophobicContact CD1-CG1 3.84Å; F428-W731 AromaticContact CE1-CD1 4Å
429	K	85.1	Confident	88.1	Confident	33 Å²	33	24 Å²	24	14%	0.143	13%	0.132	C	C	.	.			trans	-134	168.6	173.3	64.5	173.8	-175.7	169.1	0	110.4	M380 D404 V427 V433 I452 Y722	M380-K429 WeakPolarHBondContact CB-O 3.44Å; D404-K429 VanDerWaalsContact OD1-CE 3.31Å; D404-K429 WeakPolarHBondContact OD1-CE 3.26Å; D404-K429 IonicContact OD1-NZ 3.88Å; D404-K429 PolarHBondContact OD1-NZ 3.45Å; D404-K429 WeakPolarHBondContact OD2-CD 3.47Å; D404-K429 WeakPolarHBondContact OD2-CE 3.42Å; D404-K429 IonicContact OD2-NZ 2.97Å; D404-K429 PolarHBondContact OD2-NZ 2.83Å; V427-K429 HydrophobicContact CG1-CG 3.66Å; V427-K429 PolarHBondContact O-N 3.49Å; K429-V433 HydrophobicContact CD-CG2 4.35Å; K429-V433 VanDerWaalsContact NZ-CG2 3.33Å; K429-I452 WeakPolarHBondContact O-CG2 3.35Å; K429-Y722 HydrophobicContact CB-CD2 4.01Å; K429-Y722 HydrophobicContact CB-CG 4.39Å
430	T	88.2	Confident	88.1	Confident	9 Å²	9	27.9 Å²	27.9	6%	0.055	15%	0.153	C	C	.	.			trans	-123.3	151.1	174.2	179.2	0	0	0	0	110.4	I452 Y722 P729	T430-I452 WeakPolarHBondContact CA-O 3.26Å; T430-I452 PolarHBondContact OG1-O 3.15Å; T430-Y722 HydrophobicContact CG2-CD1 4.13Å; T430-Y722 HydrophobicContact CG2-CE1 3.54Å; T430-Y722 HydrophobicContact CG2-CE2 4.04Å; T430-Y722 VanDerWaalsContact CG2-CZ 3.48Å; T430-P729 HydrophobicContact CG2-CB 4.46Å; T430-P729 HydrophobicContact CG2-CG 3.85Å
431	G	89.4	Confident	87.9	Confident	2 Å²	2	29.1 Å²	29.1	2%	0.021	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	114.5	-174.7	176.1	0	0	0	0	0	113.9	I452 F907	G431-I452 PolarHBondContact N-O 2.9Å; G431-I452 PolarHBondContact O-N 2.73Å; G431-F907 WeakPolarHBondContact CA-O 3.45Å
432	P	89.3	Confident	87.8	Confident	57 Å²	57	38.1 Å²	38.1	37%	0.37	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	138.8	177.9	29.2	-35.2	0	0	0	111.7	T449 F908	P432-T449 HydrophobicContact CB-CG2 3.79Å; P432-F908 HydrophobicContact CG-CD1 4.05Å
433	V	88.4	Confident	87.7	Confident	7 Å²	7	40.2 Å²	40.2	4%	0.042	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	130.4	-179.1	-173.5	0	0	0	0	109.4	I403 D404 K429 T449 L450 I452	I403-V433 HydrophobicContact CG2-CG1 3.96Å; D404-V433 HydrophobicContact CB-CG1 4.03Å; K429-V433 HydrophobicContact CD-CG2 4.35Å; K429-V433 VanDerWaalsContact NZ-CG2 3.33Å; V433-T449 WeakPolarHBondContact O-CA 3.41Å; V433-L450 PolarHBondContact N-O 2.9Å; V433-L450 PolarHBondContact O-N 2.87Å; V433-I452 HydrophobicContact CB-CG1 4.31Å; V433-I452 HydrophobicContact CG2-CB 4.43Å; V433-I452 HydrophobicContact CG2-CG1 3.51Å
434	T	87.1	Confident	87.6	Confident	82 Å²	82	39.8 Å²	39.8	50%	0.503	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	132.9	170.5	-48.9	0	0	0	0	109.5	Y447 S448	T434-Y447 HydrophobicContact CG2-CD2 4.43Å; T434-S448 CarbonylContact C-O 3.6Å; T434-S448 WeakPolarHBondContact CA-O 3.29Å
435	F	89.9	Confident	87.1	Confident	1 Å²	1	40.8 Å²	40.8	0%	0.004	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	146.9	170.4	73	-73.3	0	0	0	109.9	L371 A373 V388 M401 E402 I403 Y447 S448 L450	L371-F435 HydrophobicContact CD2-CD2 3.54Å; L371-F435 HydrophobicContact CD2-CE2 3.2Å; L371-F435 HydrophobicContact CD2-CZ 3.99Å; L371-F435 HydrophobicContact CG-CE2 3.72Å; L371-F435 HydrophobicContact CG-CZ 4.15Å; A373-F435 HydrophobicContact CB-CE2 4.21Å; A373-F435 HydrophobicContact CB-CZ 3.73Å; V388-F435 HydrophobicContact CG1-CE2 3.96Å; M401-F435 HydrophobicContact CE-CD2 3.88Å; M401-F435 HydrophobicContact CE-CE2 4.22Å; M401-F435 HydrophobicContact SD-CD2 4.2Å; E402-F435 CarbonylContact O-C 3.55Å; E402-F435 VanDerWaalsContact O-CA 3.23Å; E402-F435 WeakPolarHBondContact O-CA 3.49Å; I403-F435 HydrophobicContact CG1-CB 3.76Å; F435-Y447 CarbonylContact O-C 3.48Å; F435-Y447 VanDerWaalsContact O-CA 3.23Å; F435-Y447 WeakPolarHBondContact O-CA 3.39Å; F435-S448 WeakPolarHBondContact CD1-O 3.39Å; F435-S448 PolarHBondContact N-O 3.01Å; F435-S448 PolarHBondContact O-N 2.99Å; F435-L450 HydrophobicContact CB-CD2 4.12Å; F435-L450 HydrophobicContact CD1-CB 3.92Å; F435-L450 HydrophobicContact CD1-CD2 3.52Å; F435-L450 HydrophobicContact CD1-CG 3.67Å; F435-L450 HydrophobicContact CD2-CD2 4.26Å; F435-L450 HydrophobicContact CE1-CB 3.88Å; F435-L450 HydrophobicContact CE1-CD2 3.95Å; F435-L450 HydrophobicContact CE1-CG 4.13Å; F435-L450 HydrophobicContact CG-CD2 3.71Å; F435-L450 HydrophobicContact CG-CG 4.27Å; F435-L450 HydrophobicContact CZ-CD2 4.49Å
436	Q	90.8	Very high	87.1	Confident	45 Å²	45	38.8 Å²	38.8	21%	0.21	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	154	-176	57.5	-174.8	10.5	0	0	112.5	M401 E402 Y444 W446	M401-Q436 CarbonylContact C-O 3.58Å; M401-Q436 VanDerWaalsContact CA-O 3.31Å; M401-Q436 WeakPolarHBondContact CA-O 3.32Å; E402-Q436 HydrophobicContact CB-CG 3.79Å; E402-Q436 PolarHBondContact N-O 2.03Å; E402-Q436 PolarHBondContact O-N 2.91Å; E402-Q436 PolarHBondContact OE2-NE2 3.2Å; Q436-Y444 HydrophobicContact CB-CD1 4.17Å; Q436-Y444 VanDerWaalsContact CD-CB 3.41Å; Q436-Y444 HydrophobicContact CG-CD1 3.66Å; Q436-Y444 HydrophobicContact CG-CG 3.92Å; Q436-W446 CarbonylContact C-O 3.57Å; Q436-W446 WeakPolarHBondContact CA-O 3.37Å; Q436-W446 VanDerWaalsContact CB-O 3.31Å; Q436-W446 WeakPolarHBondContact CB-O 3.32Å
437	I	91	Very high	87.3	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	143.9	-177.4	-165.8	157.8	0	0	0	111.5	L371 V388 P391 F393 I399 T400 A418 W446	L371-I437 HydrophobicContact CD1-CB 4.42Å; L371-I437 HydrophobicContact CD1-CG2 3.54Å; L371-I437 HydrophobicContact CD2-CB 4.05Å; L371-I437 HydrophobicContact CD2-CG2 3.84Å; L371-I437 HydrophobicContact CG-CG2 4.33Å; V388-I437 HydrophobicContact CG2-CD1 3.44Å; V388-I437 VanDerWaalsContact CG2-CD1 3.44Å; P391-I437 HydrophobicContact CG-CG2 3.77Å; F393-I437 HydrophobicContact CE1-CD1 3.9Å; F393-I437 HydrophobicContact CE1-CG1 4.43Å; F393-I437 HydrophobicContact CZ-CD1 3.83Å; I399-I437 HydrophobicContact CG2-CD1 3.55Å; I399-I437 HydrophobicContact CG2-CG1 3.75Å; T400-I437 WeakPolarHBondContact O-CA 3.17Å; T400-I437 WeakPolarHBondContact O-CG1 3.43Å; A418-I437 HydrophobicContact CB-CD1 4.24Å; I437-W446 HydrophobicContact CG2-CB 3.55Å; I437-W446 HydrophobicContact CG2-CG 4.33Å; I437-W446 PolarHBondContact N-O 2.52Å
438	S	91.8	Very high	87.3	Confident	1 Å²	1	45.8 Å²	45.8	1%	0.007	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	145	173.4	-177.5	0	0	0	0	110.2	I399 T400 D440 G441 R442 S443	I399-S438 VanDerWaalsContact CA-O 3.28Å; I399-S438 WeakPolarHBondContact CA-O 3.37Å; T400-S438 PolarHBondContact N-O 2.87Å; T400-S438 PolarHBondContact O-N 2.85Å; S438-D440 PolarHBondContact OG-N 3.37Å; S438-D440 PolarHBondContact OG-OD1 2.04Å; S438-G441 PolarHBondContact OG-N 2.84Å; S438-R442 PolarHBondContact OG-N 3.28Å; S438-R442 VanDerWaalsContact OG-N 3.14Å; S438-S443 WeakPolarHBondContact CA-O 3.49Å; S438-S443 WeakPolarHBondContact CB-O 3.44Å; S438-S443 PolarHBondContact OG-N 2.8Å; S438-S443 PolarHBondContact OG-O 3.11Å
439	Q	89.4	Confident	87.2	Confident	47 Å²	47	49 Å²	49	22%	0.22	25%	0.251	C	S	.	.	S	Bend	trans	-96.9	-12.4	173.8	-61.6	-176.5	-97.2	0	0	112.7	P391 C392 F393 D397 H398	P391-Q439 VanDerWaalsContact CB-CD 3.43Å; P391-Q439 HydrophobicContact CB-CG 3.86Å; P391-Q439 HydrophobicContact CG-CG 4.45Å; C392-Q439 PolarHBondContact O-NE2 2.95Å; F393-Q439 HydrophobicContact CD1-CG 4.17Å; F393-Q439 HydrophobicContact CE1-CG 4.26Å; D397-Q439 HydrophobicContact CB-CB 4.42Å; D397-Q439 PolarHBondContact OD2-NE2 3.48Å; H398-Q439 CarbonylContact C-O 3.56Å; H398-Q439 PolarHBondContact N-O 3.37Å; H398-Q439 CarbonylContact O-C 3.52Å
440	D	88.7	Confident	87.3	Confident	87 Å²	87	47.5 Å²	47.5	47%	0.465	24%	0.244	S	C	.	.	B	Isolated β-bridge	trans	-123.5	3.1	-176.1	69.2	-11.9	0	0	0	113.3	H398 S438 R442 S443	H398-D440 PolarHBondContact O-N 2.88Å; S438-D440 PolarHBondContact OG-N 3.37Å; S438-D440 PolarHBondContact OG-OD1 2.04Å; D440-R442 PolarHBondContact O-N 3.48Å; D440-R442 PolarHBondContact OD1-N 3.32Å; D440-S443 PolarHBondContact OD1-N 2.92Å
441	G	85.2	Confident	87.4	Confident	26 Å²	26	47.3 Å²	47.3	27%	0.268	24%	0.243	S	C	.	.	S	Bend	trans	73.1	6.2	-175.5	0	0	0	0	0	114.9	H398 S438	H398-G441 PolarHBondContact O-N 3.39Å; S438-G441 PolarHBondContact OG-N 2.84Å
442	R	87	Confident	87.4	Confident	218 Å²	218	47.3 Å²	47.3	82%	0.823	24%	0.242	S	C	*	.	S	Bend	trans	-127.9	-45	-172.4	-61.6	179.5	-177.9	-173.5	0.1	113	S438 D440	S438-R442 PolarHBondContact OG-N 3.28Å; S438-R442 VanDerWaalsContact OG-N 3.14Å; D440-R442 PolarHBondContact O-N 3.48Å; D440-R442 PolarHBondContact OD1-N 3.32Å
443	S	87.2	Confident	87.4	Confident	45 Å²	45	44.8 Å²	44.8	32%	0.315	23%	0.226	S	C	.	.			trans	-104.3	114.1	-174	-172	0	0	0	0	111	S438 D440 N445	S438-S443 WeakPolarHBondContact CA-O 3.49Å; S438-S443 WeakPolarHBondContact CB-O 3.44Å; S438-S443 PolarHBondContact OG-N 2.8Å; S438-S443 PolarHBondContact OG-O 3.11Å; D440-S443 PolarHBondContact OD1-N 2.92Å; S443-N445 VanDerWaalsContact OG-CG 3.24Å; S443-N445 PolarHBondContact OG-ND2 3.11Å; S443-N445 PolarHBondContact OG-OD1 3.47Å; S443-N445 VanDerWaalsContact OG-OD1 3.08Å
444	Y	85.9	Confident	87.5	Confident	38 Å²	38	44.5 Å²	44.5	15%	0.149	22%	0.224	C	C	.	.			trans	-103.1	72.4	179.7	-68.4	-88.6	0	0	0	111.1	T400 E402 I407 Q436	T400-Y444 PolarHBondContact OG1-OH 3.42Å; E402-Y444 HydrophobicContact CB-CD1 4.31Å; E402-Y444 HydrophobicContact CB-CE1 3.95Å; I407-Y444 HydrophobicContact CD1-CE2 4.4Å; I407-Y444 WeakPolarHBondContact CG2-OH 3.48Å; Q436-Y444 HydrophobicContact CB-CD1 4.17Å; Q436-Y444 VanDerWaalsContact CD-CB 3.41Å; Q436-Y444 HydrophobicContact CG-CD1 3.66Å; Q436-Y444 HydrophobicContact CG-CG 3.92Å
445	N	79	Confident	87.5	Confident	76 Å²	76	40.8 Å²	40.8	41%	0.406	20%	0.201	S	C	.	.			trans	-89	-8.5	-176.4	-61.2	-27.9	0	0	0	113.5	P358 S443	P358-N445 HydrophobicContact CG-CB 4.17Å; S443-N445 VanDerWaalsContact OG-CG 3.24Å; S443-N445 PolarHBondContact OG-ND2 3.11Å; S443-N445 PolarHBondContact OG-OD1 3.47Å; S443-N445 VanDerWaalsContact OG-OD1 3.08Å
446	W	83.1	Confident	87.3	Confident	12 Å²	12	43.1 Å²	43.1	5%	0.045	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	113.3	-175.5	-64.3	92.8	0	0	0	109	V355 G369 L371 G390 P391 Q436 I437	V355-W446 HydrophobicContact CB-CH2 4.1Å; V355-W446 HydrophobicContact CB-CZ2 4.47Å; V355-W446 HydrophobicContact CG2-CH2 4.47Å; V355-W446 VanDerWaalsContact O-CZ2 3.26Å; V355-W446 WeakPolarHBondContact O-CZ2 3.43Å; G369-W446 CarbonylContact O-C 3.59Å; G369-W446 VanDerWaalsContact O-CA 3.3Å; G369-W446 WeakPolarHBondContact O-CA 3.2Å; L371-W446 HydrophobicContact CD1-CB 4.49Å; G390-W446 WeakPolarHBondContact O-CH2 3.24Å; P391-W446 HydrophobicContact CB-CD2 4.46Å; P391-W446 HydrophobicContact CB-CG 4.49Å; P391-W446 HydrophobicContact CG-CB 4.24Å; P391-W446 HydrophobicContact CG-CD2 3.92Å; P391-W446 HydrophobicContact CG-CG 3.68Å; Q436-W446 CarbonylContact C-O 3.57Å; Q436-W446 WeakPolarHBondContact CA-O 3.37Å; Q436-W446 VanDerWaalsContact CB-O 3.31Å; Q436-W446 WeakPolarHBondContact CB-O 3.32Å; I437-W446 HydrophobicContact CG2-CB 3.55Å; I437-W446 HydrophobicContact CG2-CG 4.33Å; I437-W446 PolarHBondContact N-O 2.52Å
447	Y	85.9	Confident	87	Confident	136 Å²	136	42.5 Å²	42.5	53%	0.533	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	159.8	-174.5	64.1	-89	0	0	0	111.3	G369 L371 T434 F435	G369-Y447 PolarHBondContact O-N 2.93Å; L371-Y447 PolarHBondContact N-O 3.3Å; L371-Y447 VanDerWaalsContact N-O 3.07Å; T434-Y447 HydrophobicContact CG2-CD2 4.43Å; F435-Y447 CarbonylContact O-C 3.48Å; F435-Y447 VanDerWaalsContact O-CA 3.23Å; F435-Y447 WeakPolarHBondContact O-CA 3.39Å
448	S	85.4	Confident	86.5	Confident	40 Å²	40	44 Å²	44	28%	0.28	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	179.6	174.8	-174.8	0	0	0	0	109.3	L371 T434 F435	L371-S448 WeakPolarHBondContact O-CB 3.49Å; L371-S448 PolarHBondContact O-OG 3.49Å; L371-S448 VanDerWaalsContact O-OG 3.1Å; T434-S448 CarbonylContact C-O 3.6Å; T434-S448 WeakPolarHBondContact CA-O 3.29Å; F435-S448 WeakPolarHBondContact CD1-O 3.39Å; F435-S448 PolarHBondContact N-O 3.01Å; F435-S448 PolarHBondContact O-N 2.99Å
449	T	84.1	Confident	85.8	Confident	66 Å²	66	50.4 Å²	50.4	41%	0.405	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	133.9	177.8	-57.9	0	0	0	0	109.6	P432 V433	P432-T449 HydrophobicContact CB-CG2 3.79Å; V433-T449 WeakPolarHBondContact O-CA 3.41Å
450	L	87	Confident	85.3	Confident	2 Å²	2	50.2 Å²	50.2	1%	0.01	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	156.8	168.7	65.8	79.5	0	0	0	110.1	P376 N378 I386 V433 F435 I452	P376-L450 CarbonylContact O-C 3.58Å; P376-L450 WeakPolarHBondContact O-CA 3.11Å; N378-L450 HydrophobicContact CB-CD1 4.31Å; I386-L450 HydrophobicContact CD1-CD2 3.83Å; V433-L450 PolarHBondContact N-O 2.9Å; V433-L450 PolarHBondContact O-N 2.87Å; F435-L450 HydrophobicContact CB-CD2 4.12Å; F435-L450 HydrophobicContact CD1-CB 3.92Å; F435-L450 HydrophobicContact CD1-CD2 3.52Å; F435-L450 HydrophobicContact CD1-CG 3.67Å; F435-L450 HydrophobicContact CD2-CD2 4.26Å; F435-L450 HydrophobicContact CE1-CB 3.88Å; F435-L450 HydrophobicContact CE1-CD2 3.95Å; F435-L450 HydrophobicContact CE1-CG 4.13Å; F435-L450 HydrophobicContact CG-CD2 3.71Å; F435-L450 HydrophobicContact CG-CG 4.27Å; F435-L450 HydrophobicContact CZ-CD2 4.49Å; L450-I452 HydrophobicContact CD1-CD1 3.31Å; L450-I452 HydrophobicContact CD1-CG1 3.92Å
451	Y	89.4	Confident	85.2	Confident	5 Å²	5	48.4 Å²	48.4	2%	0.02	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	123.2	-180	-170.1	-78	0	0	0	111.2	P376 W377 N378 F453 R906 F907	P376-Y451 PolarHBondContact O-N 3.09Å; W377-Y451 CarbonylContact C-O 3.5Å; W377-Y451 WeakPolarHBondContact CA-O 3.41Å; W377-Y451 VanDerWaalsContact CB-O 3.28Å; W377-Y451 WeakPolarHBondContact CB-O 3.36Å; N378-Y451 PolarHBondContact N-O 3.1Å; Y451-F453 AromaticContact CD1-CD1 3.77Å; Y451-F453 HydrophobicContact CD1-CD1 3.77Å; Y451-F453 AromaticContact CD1-CD2 3.58Å; Y451-F453 HydrophobicContact CD1-CD2 3.58Å; Y451-F453 AromaticContact CD1-CE1 3.54Å; Y451-F453 HydrophobicContact CD1-CE1 3.54Å; Y451-F453 AromaticContact CD1-CE2 3.36Å; Y451-F453 HydrophobicContact CD1-CE2 3.36Å; Y451-F453 AromaticContact CD1-CG 3.77Å; Y451-F453 HydrophobicContact CD1-CG 3.77Å; Y451-F453 AromaticContact CD1-CZ 3.31Å; Y451-F453 HydrophobicContact CD1-CZ 3.31Å; Y451-F453 AromaticContact CE1-CD1 3.44Å; Y451-F453 HydrophobicContact CE1-CD1 3.44Å; Y451-F453 VanDerWaalsContact CE1-CD1 3.44Å; Y451-F453 HydrophobicContact CE1-CD2 4.12Å; Y451-F453 AromaticContact CE1-CE1 3.33Å; Y451-F453 HydrophobicContact CE1-CE1 3.33Å; Y451-F453 HydrophobicContact CE1-CE2 4.05Å; Y451-F453 AromaticContact CE1-CG 3.82Å; Y451-F453 HydrophobicContact CE1-CG 3.82Å; Y451-F453 AromaticContact CE1-CZ 3.65Å; Y451-F453 HydrophobicContact CE1-CZ 3.65Å; Y451-F453 HydrophobicContact CG-CE2 4.16Å; Y451-F453 HydrophobicContact CG-CZ 4.09Å; Y451-R906 HydrophobicContact CD2-CG 4.47Å; Y451-R906 HydrophobicContact CE2-CB 3.77Å; Y451-R906 HydrophobicContact CE2-CG 3.98Å; Y451-R906 WeakPolarHBondContact OH-CA 3.34Å; Y451-F907 PolarHBondContact OH-N 3.07Å; Y451-F907 PolarHBondContact OH-O 2.92Å
452	I	90	Very high	85.6	Confident	2 Å²	2	47.3 Å²	47.3	1%	0.01	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	120.2	174.7	-55.2	-66.9	0	0	0	109.9	N378 M380 V427 K429 T430 G431 V433 L450	N378-I452 HydrophobicContact CB-CD1 3.79Å; N378-I452 CarbonylContact O-C 3.55Å; N378-I452 WeakPolarHBondContact O-CA 3.44Å; M380-I452 HydrophobicContact CB-CG2 3.63Å; V427-I452 HydrophobicContact CG1-CB 4.46Å; V427-I452 HydrophobicContact CG1-CD1 4.01Å; V427-I452 HydrophobicContact CG1-CG1 3.86Å; V427-I452 HydrophobicContact CG1-CG2 3.98Å; K429-I452 WeakPolarHBondContact O-CG2 3.35Å; T430-I452 WeakPolarHBondContact CA-O 3.26Å; T430-I452 PolarHBondContact OG1-O 3.15Å; G431-I452 PolarHBondContact N-O 2.9Å; G431-I452 PolarHBondContact O-N 2.73Å; V433-I452 HydrophobicContact CB-CG1 4.31Å; V433-I452 HydrophobicContact CG2-CB 4.43Å; V433-I452 HydrophobicContact CG2-CG1 3.51Å; L450-I452 HydrophobicContact CD1-CD1 3.31Å; L450-I452 HydrophobicContact CD1-CG1 3.92Å
453	F	89	Confident	85.8	Confident	5 Å²	5	44 Å²	44	2%	0.022	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	140.8	176.3	-72.9	-80.2	0	0	0	112	W377 N378 M380 Y451 D903 R906	W377-F453 HydrophobicContact CB-CD2 3.73Å; W377-F453 HydrophobicContact CB-CE2 3.46Å; W377-F453 VanDerWaalsContact CB-CE2 3.46Å; W377-F453 HydrophobicContact CD2-CD2 4.34Å; W377-F453 HydrophobicContact CD2-CE2 4.38Å; W377-F453 HydrophobicContact CE3-CD2 4.07Å; W377-F453 HydrophobicContact CG-CD2 4.25Å; W377-F453 AromaticContact CG-CE2 3.96Å; W377-F453 HydrophobicContact CG-CE2 3.96Å; N378-F453 PolarHBondContact O-N 3.31Å; M380-F453 PolarHBondContact N-O 3.38Å; Y451-F453 AromaticContact CD1-CD1 3.77Å; Y451-F453 HydrophobicContact CD1-CD1 3.77Å; Y451-F453 AromaticContact CD1-CD2 3.58Å; Y451-F453 HydrophobicContact CD1-CD2 3.58Å; Y451-F453 AromaticContact CD1-CE1 3.54Å; Y451-F453 HydrophobicContact CD1-CE1 3.54Å; Y451-F453 AromaticContact CD1-CE2 3.36Å; Y451-F453 HydrophobicContact CD1-CE2 3.36Å; Y451-F453 AromaticContact CD1-CG 3.77Å; Y451-F453 HydrophobicContact CD1-CG 3.77Å; Y451-F453 AromaticContact CD1-CZ 3.31Å; Y451-F453 HydrophobicContact CD1-CZ 3.31Å; Y451-F453 AromaticContact CE1-CD1 3.44Å; Y451-F453 HydrophobicContact CE1-CD1 3.44Å; Y451-F453 VanDerWaalsContact CE1-CD1 3.44Å; Y451-F453 HydrophobicContact CE1-CD2 4.12Å; Y451-F453 AromaticContact CE1-CE1 3.33Å; Y451-F453 HydrophobicContact CE1-CE1 3.33Å; Y451-F453 HydrophobicContact CE1-CE2 4.05Å; Y451-F453 AromaticContact CE1-CG 3.82Å; Y451-F453 HydrophobicContact CE1-CG 3.82Å; Y451-F453 AromaticContact CE1-CZ 3.65Å; Y451-F453 HydrophobicContact CE1-CZ 3.65Å; Y451-F453 HydrophobicContact CG-CE2 4.16Å; Y451-F453 HydrophobicContact CG-CZ 4.09Å; F453-D903 HydrophobicContact CE1-CB 3.58Å; F453-D903 WeakPolarHBondContact CE1-OD2 3.03Å; F453-D903 HydrophobicContact CZ-CB 3.69Å; F453-D903 WeakPolarHBondContact CZ-OD2 3.45Å; F453-R906 HydrophobicContact CE1-CG 4.41Å
454	P	89.9	Confident	85.9	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.006	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-73.6	150	166.1	34.8	-34.7	0	0	0	109.9	M380 A456 L457 S458 P729	M380-P454 HydrophobicContact SD-CB 4.13Å; P454-A456 VanDerWaalsContact C-N 3.27Å; P454-A456 PolarHBondContact O-N 3.28Å; P454-A456 VanDerWaalsContact O-N 3.17Å; P454-L457 HydrophobicContact CG-CB 4.04Å; P454-L457 HydrophobicContact CG-CD1 3.84Å; P454-L457 HydrophobicContact CG-CG 4.01Å; P454-L457 PolarHBondContact O-N 2.81Å; P454-S458 PolarHBondContact O-N 3.44Å; P454-S458 VanDerWaalsContact O-N 3.08Å; P454-P729 HydrophobicContact CB-CB 3.66Å
455	P	88.4	Confident	85.8	Confident	3 Å²	3	42.4 Å²	42.4	2%	0.019	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-54.4	-39.9	-173.3	-28.6	34.5	0	0	0	113.7	M380 I381 L457 S458 T730 W731	M380-P455 HydrophobicContact CG-CG 4.34Å; M380-P455 WeakPolarHBondContact SD-CD 3.5Å; M380-P455 HydrophobicContact SD-CG 4.35Å; I381-P455 HydrophobicContact CD1-CG 3.66Å; I381-P455 HydrophobicContact CG1-CG 4.13Å; P455-L457 PolarHBondContact O-N 2.92Å; P455-S458 PolarHBondContact O-N 3.49Å; P455-S458 PolarHBondContact O-OG 3.07Å; P455-T730 HydrophobicContact CB-CG2 4.26Å; P455-W731 HydrophobicContact CG-CZ2 4.26Å
456	A	85.5	Confident	85.7	Confident	50 Å²	50	38.8 Å²	38.8	41%	0.413	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-68	-14.3	-179.3	0	0	0	0	0	114.9	P454 T730	P454-A456 VanDerWaalsContact C-N 3.27Å; P454-A456 PolarHBondContact O-N 3.28Å; P454-A456 VanDerWaalsContact O-N 3.17Å; A456-T730 HydrophobicContact CB-CG2 3.76Å; A456-T730 VanDerWaalsContact CB-OG1 3.26Å; A456-T730 WeakPolarHBondContact CB-OG1 3.09Å; A456-T730 PolarHBondContact N-OG1 3.15Å
457	L	84.9	Confident	85.1	Confident	33 Å²	33	43.7 Å²	43.7	17%	0.173	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-111.6	-8	175.3	-60.8	179.5	0	0	0	112.5	P454 P455 P648 R905 F907	P454-L457 HydrophobicContact CG-CB 4.04Å; P454-L457 HydrophobicContact CG-CD1 3.84Å; P454-L457 HydrophobicContact CG-CG 4.01Å; P454-L457 PolarHBondContact O-N 2.81Å; P455-L457 PolarHBondContact O-N 2.92Å; L457-P648 HydrophobicContact CD2-CG 3.8Å; L457-R905 HydrophobicContact CD1-CB 4.42Å; L457-F907 HydrophobicContact CD1-CD2 4.42Å; L457-F907 HydrophobicContact CD1-CE2 3.67Å
458	S	79	Confident	83.9	Confident	30 Å²	30	38 Å²	38	21%	0.21	19%	0.192	C	C	.	.	S	Bend	trans	-75.8	153.4	176.8	77.5	0	0	0	0	110.5	P454 P455 T460	P454-S458 PolarHBondContact O-N 3.44Å; P454-S458 VanDerWaalsContact O-N 3.08Å; P455-S458 PolarHBondContact O-N 3.49Å; P455-S458 PolarHBondContact O-OG 3.07Å; S458-T460 PolarHBondContact O-N 3.42Å
459	R	77.5	Confident	82.8	Confident	136 Å²	136	37.1 Å²	37.1	51%	0.513	18%	0.184	S	C	.	.			trans	-62.4	129.6	173.8	-76.6	-174.1	171	-148	-7	110.4	M461 M902	R459-M461 PolarHBondContact O-N 2.86Å; R459-M902 PolarHBondContact NH2-SD 2.63Å
460	T	79.7	Confident	81.7	Confident	44 Å²	44	39.5 Å²	39.5	27%	0.27	19%	0.185	S	C	.	.			trans	-61.8	102.3	174.3	65.6	0	0	0	0	110.4	S458 R463 E582	S458-T460 PolarHBondContact O-N 3.42Å; T460-R463 PolarHBondContact OG1-NE 3.27Å; T460-R463 VanDerWaalsContact OG1-NE 3.17Å; T460-E582 VanDerWaalsContact CG2-CD 3.4Å; T460-E582 HydrophobicContact CG2-CG 3.68Å; T460-E582 WeakPolarHBondContact CG2-OE1 3.5Å
461	M	86.7	Confident	80.3	Confident	48 Å²	48	43.2 Å²	43.2	24%	0.236	21%	0.208	C	C	.	.	S	Bend	trans	-86.2	-28.7	176.7	-63	-172.9	-176.5	0	0	111.8	W377 R459 M579	W377-M461 HydrophobicContact CH2-CE 3.49Å; W377-M461 VanDerWaalsContact CH2-CE 3.49Å; W377-M461 HydrophobicContact CZ3-CE 3.92Å; R459-M461 PolarHBondContact O-N 2.86Å; M461-M579 HydrophobicContact CB-CB 3.84Å; M461-M579 HydrophobicContact CB-CG 4.05Å; M461-M579 HydrophobicContact CB-SD 4.11Å; M461-M579 HydrophobicContact SD-CB 4.39Å; M461-M579 HydrophobicContact SD-CG 4.02Å
462	V	92.9	Very high	78.7	Confident	3 Å²	3	46.2 Å²	46.2	2%	0.018	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	125.8	176.7	-174.9	0	0	0	0	108.1	I490 L491 I562 V564 M579 W580	V462-I490 HydrophobicContact CG1-CG2 3.58Å; V462-L491 WeakPolarHBondContact CA-O 3.03Å; V462-I562 HydrophobicContact CG1-CG2 4.24Å; V462-V564 HydrophobicContact CB-CG2 4.32Å; V462-V564 HydrophobicContact CG1-CG2 3.76Å; V462-V564 HydrophobicContact CG2-CB 4.19Å; V462-V564 HydrophobicContact CG2-CG2 3.55Å; V462-M579 HydrophobicContact CG2-CB 3.6Å; V462-W580 PolarHBondContact N-O 2.97Å
463	R	91.3	Very high	77	Confident	149 Å²	149	50.8 Å²	50.8	56%	0.562	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.6	132.6	176.8	-66.9	-177.7	177.2	174	-1.9	109.9	T460 I490 L491	T460-R463 PolarHBondContact OG1-NE 3.27Å; T460-R463 VanDerWaalsContact OG1-NE 3.17Å; R463-I490 CarbonylContact O-C 3.52Å; R463-I490 WeakPolarHBondContact O-CA 3.28Å; R463-L491 HydrophobicContact CB-CB 4.49Å; R463-L491 PolarHBondContact N-O 2.91Å; R463-L491 PolarHBondContact O-N 3.1Å
464	L	88.3	Confident	75.3	Confident	10 Å²	10	55.4 Å²	55.4	5%	0.052	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	124.6	169	-177	64.9	0	0	0	108.1	W480 L488 I490 I562 V584 W588	L464-W480 HydrophobicContact CB-CD2 4.46Å; L464-W480 HydrophobicContact CD2-CB 3.85Å; L464-W480 HydrophobicContact CD2-CD2 3.93Å; L464-W480 HydrophobicContact CD2-CE3 3.73Å; L464-W480 HydrophobicContact CD2-CG 4.03Å; L464-W480 HydrophobicContact CD2-CZ3 4.46Å; L464-W480 HydrophobicContact CG-CB 3.93Å; L464-W480 HydrophobicContact CG-CD2 4.26Å; L464-W480 HydrophobicContact CG-CG 4.03Å; L464-W480 VanDerWaalsContact O-CD1 3.27Å; L464-W480 PolarHBondContact O-NE1 3.17Å; L464-L488 HydrophobicContact CD1-CB 4.19Å; L464-L488 HydrophobicContact CD1-CD1 4.49Å; L464-I490 HydrophobicContact CD1-CD1 4.49Å; L464-I490 HydrophobicContact CD1-CG1 3.68Å; L464-I562 HydrophobicContact CB-CD1 4.21Å; L464-I562 HydrophobicContact CD1-CD1 4.18Å; L464-I562 HydrophobicContact CD2-CD1 3.94Å; L464-I562 HydrophobicContact CG-CD1 4.35Å; L464-V584 HydrophobicContact CD2-CG1 4.04Å; L464-W588 HydrophobicContact CD2-CZ2 3.98Å
465	L	84.4	Confident	73.5	Confident	39 Å²	39	56.5 Å²	56.5	20%	0.204	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	142.1	-177.8	-59.3	-180	0	0	0	109.9	D469 L488 T489 L491	L465-D469 HydrophobicContact CB-CB 4.18Å; L465-D469 HydrophobicContact CD2-CB 4.17Å; L465-L488 CarbonylContact O-C 3.58Å; L465-L488 WeakPolarHBondContact O-CA 3.49Å; L465-T489 PolarHBondContact N-O 3.38Å; L465-T489 PolarHBondContact O-N 2.88Å; L465-L491 HydrophobicContact CD1-CD1 3.46Å; L465-L491 VanDerWaalsContact CD1-CD1 3.46Å; L465-L491 HydrophobicContact CD1-CG 4.23Å; L465-L491 HydrophobicContact CG-CD1 4.47Å
466	S	77.1	Confident	71.6	Confident	1 Å²	1	61.4 Å²	61.4	1%	0.007	33%	0.328	C	S	.	.			trans	-83	171.2	166.1	67.2	0	0	0	0	111.6	A468 D469 R470	S466-A468 VanDerWaalsContact C-N 3.28Å; S466-A468 PolarHBondContact O-N 2.96Å; S466-D469 WeakPolarHBondContact CB-OD2 3.43Å; S466-D469 PolarHBondContact N-OD2 2.8Å; S466-D469 PolarHBondContact O-N 2.98Å; S466-D469 PolarHBondContact OG-N 3.05Å; S466-D469 PolarHBondContact OG-OD2 3.09Å; S466-R470 PolarHBondContact O-N 2.86Å
467	Y	69.9	Low	70	Confident	115 Å²	115	64.7 Å²	64.7	45%	0.451	33%	0.33	S	S	.	.	H	α-helix	trans	-59.1	-39.9	173.6	-179.3	-92.4	0	0	0	112.5	R470 T471 N487	Y467-R470 VanDerWaalsContact CE2-NH2 3.34Å; Y467-R470 PolarHBondContact O-N 3.4Å; Y467-T471 HydrophobicContact CD1-CG2 4.35Å; Y467-T471 HydrophobicContact CE1-CG2 3.83Å; Y467-T471 HydrophobicContact CE2-CG2 4.14Å; Y467-T471 PolarHBondContact O-N 3.04Å; Y467-T471 PolarHBondContact O-OG1 3.41Å; Y467-N487 HydrophobicContact CD2-CB 4.5Å
468	A	61.5	Low	68.6	Low	17 Å²	17	65.6 Å²	65.6	14%	0.14	33%	0.333	C	S	.	.	H	α-helix	trans	-63.1	-47.5	177.6	0	0	0	0	0	111.2	S466 R470 T471 D472	S466-A468 VanDerWaalsContact C-N 3.28Å; S466-A468 PolarHBondContact O-N 2.96Å; A468-R470 PolarHBondContact O-N 2.88Å; A468-T471 PolarHBondContact O-N 3.16Å; A468-T471 VanDerWaalsContact O-N 3.09Å; A468-T471 PolarHBondContact O-OG1 2.82Å; A468-D472 CarbonylContact O-C 3.57Å; A468-D472 PolarHBondContact O-N 3.41Å
469	D	62.4	Low	67.8	Low	21 Å²	21	68.7 Å²	68.7	11%	0.112	34%	0.344	C	S	.	.	H	α-helix	trans	-56.6	-27.6	178.5	-60.8	-41.2	0	0	0	113	L465 S466 H478	L465-D469 HydrophobicContact CB-CB 4.18Å; L465-D469 HydrophobicContact CD2-CB 4.17Å; S466-D469 WeakPolarHBondContact CB-OD2 3.43Å; S466-D469 PolarHBondContact N-OD2 2.8Å; S466-D469 PolarHBondContact O-N 2.98Å; S466-D469 PolarHBondContact OG-N 3.05Å; S466-D469 PolarHBondContact OG-OD2 3.09Å; D469-H478 WeakPolarHBondContact OD1-CA 3.42Å; D469-H478 IonicContact OD1-CD2 3.76Å; D469-H478 PolarHBondContact OD1-N 2.94Å
470	R	61.3	Low	67.5	Low	116 Å²	116	62.8 Å²	62.8	44%	0.438	32%	0.322	S	S	.	.	H	α-helix	trans	-84.5	-36.7	-179.8	-171.3	-179.8	71	-168.5	3.4	113.4	S466 Y467 A468	S466-R470 PolarHBondContact O-N 2.86Å; Y467-R470 VanDerWaalsContact CE2-NH2 3.34Å; Y467-R470 PolarHBondContact O-N 3.4Å; A468-R470 PolarHBondContact O-N 2.88Å
471	T	57	Low	67.3	Low	79 Å²	79	61.2 Å²	61.2	49%	0.485	31%	0.311	S	S	.	.	H	α-helix	trans	-94.2	-33.3	-170.5	47.5	0	0	0	0	112.5	Y467 A468	Y467-T471 HydrophobicContact CD1-CG2 4.35Å; Y467-T471 HydrophobicContact CE1-CG2 3.83Å; Y467-T471 HydrophobicContact CE2-CG2 4.14Å; Y467-T471 PolarHBondContact O-N 3.04Å; Y467-T471 PolarHBondContact O-OG1 3.41Å; A468-T471 PolarHBondContact O-N 3.16Å; A468-T471 VanDerWaalsContact O-N 3.09Å; A468-T471 PolarHBondContact O-OG1 2.82Å
472	D	55.1	Low	66.9	Low	69 Å²	69	62.4 Å²	62.4	37%	0.369	32%	0.316	S	S	.	.			trans	-139.2	93.5	175.2	-176.6	1.9	0	0	0	109.7	A468 S474 A475	A468-D472 CarbonylContact O-C 3.57Å; A468-D472 PolarHBondContact O-N 3.41Å; D472-S474 PolarHBondContact O-N 3.02Å; D472-S474 WeakPolarHBondContact OD1-CA 3.42Å; D472-S474 WeakPolarHBondContact OD1-CB 3.26Å; D472-S474 PolarHBondContact OD1-N 3.3Å; D472-S474 PolarHBondContact OD1-OG 3.2Å; D472-A475 HydrophobicContact CB-CB 3.88Å; D472-A475 WeakPolarHBondContact O-CB 2.91Å; D472-A475 PolarHBondContact O-N 3.43Å; D472-A475 VanDerWaalsContact O-N 3.09Å; D472-A475 PolarHBondContact OD1-N 2.98Å
473	P	54.5	Low	66.1	Low	97 Å²	97	63.2 Å²	63.2	63%	0.63	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-13.6	175.2	-21.6	32.5	0	0	0	114
474	S	54.1	Low	65.3	Low	102 Å²	102	62.2 Å²	62.2	71%	0.713	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-17.6	178.4	74.1	0	0	0	0	113.8	D472	D472-S474 PolarHBondContact O-N 3.02Å; D472-S474 WeakPolarHBondContact OD1-CA 3.42Å; D472-S474 WeakPolarHBondContact OD1-CB 3.26Å; D472-S474 PolarHBondContact OD1-N 3.3Å; D472-S474 PolarHBondContact OD1-OG 3.2Å
475	A	51.5	Low	64.6	Low	24 Å²	24	61.8 Å²	61.8	20%	0.198	32%	0.32	C	S	.	.	S	Bend	trans	-63.8	161.7	173.6	0	0	0	0	0	111.8	D472 R477	D472-A475 HydrophobicContact CB-CB 3.88Å; D472-A475 WeakPolarHBondContact O-CB 2.91Å; D472-A475 PolarHBondContact O-N 3.43Å; D472-A475 VanDerWaalsContact O-N 3.09Å; D472-A475 PolarHBondContact OD1-N 2.98Å; A475-R477 PolarHBondContact O-N 2.89Å
476	P	48.1	Very low	64	Low	106 Å²	106	64.7 Å²	64.7	69%	0.688	34%	0.336	S	S	*	.	S	Bend	trans	-52.6	106	179.8	-23.7	32.8	0	0	0	111.2
477	R	52.8	Low	64.2	Low	119 Å²	119	67.8 Å²	67.8	45%	0.449	35%	0.353	S	S	.	.	S	Bend	trans	-62.5	136.6	-168.3	-54.9	179.2	-179	171.1	4	111.4	A475 D655	A475-R477 PolarHBondContact O-N 2.89Å; R477-D655 IonicContact NH1-OD1 3.89Å
478	H	56.2	Low	65.1	Low	52 Å²	52	62.3 Å²	62.3	24%	0.241	33%	0.331	C	S	.	.			trans	80.9	61.2	161.1	-42.1	122.8	0	0	0	117.2	D469 W480 Y481	D469-H478 WeakPolarHBondContact OD1-CA 3.42Å; D469-H478 IonicContact OD1-CD2 3.76Å; D469-H478 PolarHBondContact OD1-N 2.94Å; H478-W480 AromaticContact CD2-NE1 3.51Å; H478-W480 AromaticContact CG-NE1 3.74Å; H478-W480 PolarHBondContact O-N 3.11Å; H478-W480 VanDerWaalsContact O-N 3.12Å; H478-Y481 HydrophobicContact CB-CD2 3.62Å; H478-Y481 HydrophobicContact CB-CE2 3.63Å; H478-Y481 WeakPolarHBondContact O-CD2 3.48Å
479	Q	62.2	Low	66.5	Low	96 Å²	96	61.7 Å²	61.7	45%	0.449	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-64.5	-11.4	169.4	-66.4	-178.6	-12.7	0	0	113.5	Y481 Q482	Q479-Y481 PolarHBondContact O-N 2.84Å; Q479-Q482 WeakPolarHBondContact O-CB 3.39Å; Q479-Q482 WeakPolarHBondContact O-CG 3.48Å; Q479-Q482 PolarHBondContact O-N 2.84Å
480	W	70.1	Confident	68	Low	12 Å²	12	60.7 Å²	60.7	5%	0.045	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-67.9	-13.9	-179.8	62.7	-101.5	0	0	0	114.4	L464 H478 Q482 L488 V584 W588	L464-W480 HydrophobicContact CB-CD2 4.46Å; L464-W480 HydrophobicContact CD2-CB 3.85Å; L464-W480 HydrophobicContact CD2-CD2 3.93Å; L464-W480 HydrophobicContact CD2-CE3 3.73Å; L464-W480 HydrophobicContact CD2-CG 4.03Å; L464-W480 HydrophobicContact CD2-CZ3 4.46Å; L464-W480 HydrophobicContact CG-CB 3.93Å; L464-W480 HydrophobicContact CG-CD2 4.26Å; L464-W480 HydrophobicContact CG-CG 4.03Å; L464-W480 VanDerWaalsContact O-CD1 3.27Å; L464-W480 PolarHBondContact O-NE1 3.17Å; H478-W480 AromaticContact CD2-NE1 3.51Å; H478-W480 AromaticContact CG-NE1 3.74Å; H478-W480 PolarHBondContact O-N 3.11Å; H478-W480 VanDerWaalsContact O-N 3.12Å; W480-Q482 VanDerWaalsContact C-N 3.27Å; W480-L488 HydrophobicContact CB-CD2 3.51Å; W480-V584 HydrophobicContact CE3-CG1 4.22Å; W480-V584 HydrophobicContact CH2-CG2 4.18Å; W480-V584 HydrophobicContact CZ3-CB 4.14Å; W480-V584 HydrophobicContact CZ3-CG1 3.91Å; W480-V584 HydrophobicContact CZ3-CG2 3.84Å; W480-W588 PolarHBondContact O-NE1 3.25Å
481	Y	76.8	Confident	69.5	Low	11 Å²	11	58 Å²	58	4%	0.043	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-76.7	-14.9	168.6	-66.9	-88	0	0	0	113.1	H478 Q479 P585 I659 Y660 R746 W747	H478-Y481 HydrophobicContact CB-CD2 3.62Å; H478-Y481 HydrophobicContact CB-CE2 3.63Å; H478-Y481 WeakPolarHBondContact O-CD2 3.48Å; Q479-Y481 PolarHBondContact O-N 2.84Å; Y481-P585 HydrophobicContact CD1-CG 3.68Å; Y481-P585 HydrophobicContact CE1-CG 4.4Å; Y481-I659 HydrophobicContact CE2-CD1 4.32Å; Y481-I659 VanDerWaalsContact OH-CD1 3.31Å; Y481-I659 WeakPolarHBondContact OH-CD1 3.39Å; Y481-Y660 WeakPolarHBondContact CE1-OH 3.28Å; Y481-R746 VanDerWaalsContact CB-CZ 3.48Å; Y481-R746 VanDerWaalsContact CD1-NH1 3.33Å; Y481-R746 WeakPolarHBondContact O-CD 2.96Å; Y481-W747 PolarHBondContact O-NE1 2.76Å
482	Q	76.7	Confident	71.3	Confident	73 Å²	73	55 Å²	55	34%	0.341	29%	0.294	S	S	.	.	S	Bend	trans	-74	161.1	178.9	-59.6	-68.3	-0.3	0	0	111.3	Q479 W480	Q479-Q482 WeakPolarHBondContact O-CB 3.39Å; Q479-Q482 WeakPolarHBondContact O-CG 3.48Å; Q479-Q482 PolarHBondContact O-N 2.84Å; W480-Q482 VanDerWaalsContact C-N 3.27Å
483	T	76.6	Confident	73.1	Confident	19 Å²	19	54.1 Å²	54.1	12%	0.117	29%	0.293	C	S	.	.	S	Bend	trans	-79.6	-26.6	176.1	56.5	0	0	0	0	112.6	Q541 W602 W747	T483-Q541 VanDerWaalsContact O-CD 3.28Å; T483-Q541 PolarHBondContact O-NE2 2.89Å; T483-Q541 PolarHBondContact O-OE1 3.18Å; T483-W602 HydrophobicContact CG2-CH2 3.57Å; T483-W602 HydrophobicContact CG2-CZ2 3.72Å; T483-W747 HydrophobicContact CG2-CB 3.78Å; T483-W747 HydrophobicContact CG2-CD2 3.83Å; T483-W747 HydrophobicContact CG2-CG 3.37Å
484	E	75.5	Confident	74.7	Confident	128 Å²	128	50.9 Å²	50.9	60%	0.598	27%	0.274	S	S	*	.	S	Bend	trans	-109.4	97.7	171.6	-5.9	-160.5	109.2	0	0	108.1	R591	E484-R591 VanDerWaalsContact CD-NH1 3.29Å; E484-R591 IonicContact OE1-CZ 2.73Å; E484-R591 IonicContact OE1-NH1 2.73Å; E484-R591 PolarHBondContact OE1-NH1 2.83Å; E484-R591 IonicContact OE1-NH2 3.44Å; E484-R591 PolarHBondContact OE1-NH2 2.85Å
485	A	72	Confident	76.1	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.008	27%	0.272	C	S	.	.			trans	-126.8	105.3	178.8	0	0	0	0	0	109	L488	A485-L488 HydrophobicContact CB-CD1 4.05Å; A485-L488 HydrophobicContact CB-CD2 3.75Å; A485-L488 HydrophobicContact CB-CG 3.94Å
486	D	71.9	Confident	77.7	Confident	100 Å²	100	52.6 Å²	52.6	54%	0.535	28%	0.283	S	S	.	.			trans	-85.2	141.9	177.5	-81.4	-40.1	0	0	0	111.7	L488 N540	D486-L488 PolarHBondContact O-N 3.08Å; D486-N540 PolarHBondContact OD1-ND2 3.12Å; D486-N540 PolarHBondContact OD1-OD1 2.93Å
487	N	82.5	Confident	79.6	Confident	67 Å²	67	47.5 Å²	47.5	36%	0.358	25%	0.251	S	S	.	.	S	Bend	trans	55.9	47.8	174.9	-62.3	-34.1	0	0	0	114.6	Y467 F539	Y467-N487 HydrophobicContact CD2-CB 4.5Å; N487-F539 CarbonylContact C-O 3.52Å; N487-F539 WeakPolarHBondContact CA-O 3.3Å
488	L	89	Confident	81.2	Confident	0 Å²	0	42 Å²	42	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	138.8	171.2	-68.8	-179.3	0	0	0	111.2	L464 L465 W480 A485 D486 T538 F539 W588	L464-L488 HydrophobicContact CD1-CB 4.19Å; L464-L488 HydrophobicContact CD1-CD1 4.49Å; L465-L488 CarbonylContact O-C 3.58Å; L465-L488 WeakPolarHBondContact O-CA 3.49Å; W480-L488 HydrophobicContact CB-CD2 3.51Å; A485-L488 HydrophobicContact CB-CD1 4.05Å; A485-L488 HydrophobicContact CB-CD2 3.75Å; A485-L488 HydrophobicContact CB-CG 3.94Å; D486-L488 PolarHBondContact O-N 3.08Å; L488-T538 VanDerWaalsContact O-CA 3.31Å; L488-T538 WeakPolarHBondContact O-CA 3.07Å; L488-F539 HydrophobicContact CB-CD1 4.4Å; L488-F539 HydrophobicContact CB-CE1 3.84Å; L488-F539 HydrophobicContact CB-CE2 4.04Å; L488-F539 HydrophobicContact CB-CZ 3.64Å; L488-F539 HydrophobicContact CD1-CE2 3.99Å; L488-F539 HydrophobicContact CD1-CZ 3.84Å; L488-F539 HydrophobicContact CG-CZ 4.4Å; L488-F539 PolarHBondContact N-O 3.01Å; L488-F539 PolarHBondContact O-N 2.8Å; L488-W588 HydrophobicContact CD1-CD2 3.74Å; L488-W588 HydrophobicContact CD1-CE3 3.93Å; L488-W588 HydrophobicContact CD1-CG 4.02Å; L488-W588 HydrophobicContact CD1-CZ3 4.44Å
489	T	90.5	Very high	82.2	Confident	3 Å²	3	41.2 Å²	41.2	2%	0.018	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	124.5	179.9	-59.6	0	0	0	0	110.2	L465 L491 R536 Y537 T538	L465-T489 PolarHBondContact N-O 3.38Å; L465-T489 PolarHBondContact O-N 2.88Å; T489-L491 HydrophobicContact CG2-CD2 3.86Å; T489-L491 HydrophobicContact CG2-CG 4.27Å; T489-R536 HydrophobicContact CG2-CG 3.68Å; T489-Y537 CarbonylContact C-O 3.05Å; T489-Y537 WeakPolarHBondContact CA-O 2.97Å; T489-T538 WeakPolarHBondContact CG2-OG1 3.46Å; T489-T538 PolarHBondContact OG1-OG1 3.41Å
490	I	93.1	Very high	83.2	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	130.9	171.7	-64	165.4	0	0	0	108.4	V462 R463 L464 W492 L507 I527 R536 Y537 F539 I562 V564	V462-I490 HydrophobicContact CG1-CG2 3.58Å; R463-I490 CarbonylContact O-C 3.52Å; R463-I490 WeakPolarHBondContact O-CA 3.28Å; L464-I490 HydrophobicContact CD1-CD1 4.49Å; L464-I490 HydrophobicContact CD1-CG1 3.68Å; I490-W492 HydrophobicContact CG2-CE3 4.04Å; I490-W492 HydrophobicContact CG2-CZ3 4.3Å; I490-L507 HydrophobicContact CD1-CD1 4.16Å; I490-L507 HydrophobicContact CG2-CD2 4.49Å; I490-I527 HydrophobicContact CD1-CD1 3.41Å; I490-I527 VanDerWaalsContact CD1-CD1 3.41Å; I490-R536 CarbonylContact O-C 3.39Å; I490-R536 VanDerWaalsContact O-CA 3.31Å; I490-R536 WeakPolarHBondContact O-CA 2.99Å; I490-Y537 PolarHBondContact N-O 2.94Å; I490-Y537 PolarHBondContact O-N 3.06Å; I490-F539 HydrophobicContact CD1-CE1 3.74Å; I490-F539 HydrophobicContact CG1-CE1 4.05Å; I490-I562 HydrophobicContact CD1-CD1 4.22Å; I490-I562 HydrophobicContact CD1-CG2 4.19Å; I490-I562 HydrophobicContact CG1-CD1 4.42Å; I490-V564 HydrophobicContact CG2-CG2 4.39Å
491	L	94.1	Very high	83.7	Confident	60 Å²	60	44.3 Å²	44.3	31%	0.314	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	138.3	176.7	-61	-178.4	0	0	0	110.9	V462 R463 L465 T489 R536	V462-L491 WeakPolarHBondContact CA-O 3.03Å; R463-L491 HydrophobicContact CB-CB 4.49Å; R463-L491 PolarHBondContact N-O 2.91Å; R463-L491 PolarHBondContact O-N 3.1Å; L465-L491 HydrophobicContact CD1-CD1 3.46Å; L465-L491 VanDerWaalsContact CD1-CD1 3.46Å; L465-L491 HydrophobicContact CD1-CG 4.23Å; L465-L491 HydrophobicContact CG-CD1 4.47Å; T489-L491 HydrophobicContact CG2-CD2 3.86Å; T489-L491 HydrophobicContact CG2-CG 4.27Å; L491-R536 HydrophobicContact CD2-CB 3.77Å; L491-R536 HydrophobicContact CD2-CG 3.65Å
492	W	94.6	Very high	84.1	Confident	17 Å²	17	50 Å²	50	6%	0.064	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	165.1	172.6	68.5	96.8	0	0	0	110.5	I490 A494 I505 L507 I531 N533 G535 R536 V564 M579	I490-W492 HydrophobicContact CG2-CE3 4.04Å; I490-W492 HydrophobicContact CG2-CZ3 4.3Å; W492-A494 PolarHBondContact O-N 2.74Å; W492-I505 HydrophobicContact CD2-CD1 4.45Å; W492-I505 HydrophobicContact CH2-CD1 3.49Å; W492-I505 VanDerWaalsContact CH2-CD1 3.49Å; W492-I505 HydrophobicContact CZ2-CD1 3.1Å; W492-I505 HydrophobicContact CZ2-CG1 4.21Å; W492-I505 HydrophobicContact CZ3-CD1 4.3Å; W492-L507 HydrophobicContact CZ3-CD2 4.26Å; W492-I531 HydrophobicContact CH2-CD1 4.48Å; W492-N533 PolarHBondContact NE1-OD1 3.25Å; W492-G535 VanDerWaalsContact CZ2-N 3.27Å; W492-G535 PolarHBondContact N-O 2.67Å; W492-G535 CarbonylContact O-C 3.59Å; W492-G535 WeakPolarHBondContact O-CA 3.47Å; W492-R536 VanDerWaalsContact CH2-N 3.29Å; W492-R536 WeakPolarHBondContact CH2-O 2.87Å; W492-V564 HydrophobicContact CB-CG2 4.44Å; W492-V564 HydrophobicContact CD2-CG1 4.05Å; W492-V564 HydrophobicContact CE3-CG2 4.44Å; W492-V564 HydrophobicContact CG-CG1 4.07Å; W492-M579 HydrophobicContact CB-SD 4.28Å
493	S	91.4	Very high	84.7	Confident	50 Å²	50	47.2 Å²	47.2	35%	0.35	28%	0.283	S	S	.	.			trans	-84.1	105.8	174.1	176.7	0	0	0	0	110.9	A495 N496 I497	S493-A495 VanDerWaalsContact C-N 3.31Å; S493-A495 PolarHBondContact O-N 3.11Å; S493-N496 PolarHBondContact O-N 3.27Å; S493-N496 VanDerWaalsContact O-N 3.14Å; S493-N496 VanDerWaalsContact OG-CG 3.31Å; S493-N496 PolarHBondContact OG-OD1 3Å; S493-I497 PolarHBondContact O-N 3.43Å
494	A	89.6	Confident	85.6	Confident	28 Å²	28	50.7 Å²	50.7	23%	0.231	30%	0.297	C	S	.	.	H	α-helix	trans	-57.7	-41	-179	0	0	0	0	0	113	W492 N496 I497 N533	W492-A494 PolarHBondContact O-N 2.74Å; A494-N496 VanDerWaalsContact C-N 3.3Å; A494-N496 PolarHBondContact O-N 3.09Å; A494-I497 WeakPolarHBondContact O-CG2 3.26Å; A494-N533 WeakPolarHBondContact CA-OD1 3.49Å; A494-N533 WeakPolarHBondContact CB-OD1 3.44Å; A494-N533 PolarHBondContact O-ND2 3.15Å
495	A	83.6	Confident	86.5	Confident	80 Å²	80	44.6 Å²	44.6	66%	0.661	27%	0.268	S	S	*	.	H	α-helix	trans	-71.5	-23.8	179.9	0	0	0	0	0	113.4	S493	S493-A495 VanDerWaalsContact C-N 3.31Å; S493-A495 PolarHBondContact O-N 3.11Å
496	N	85.4	Confident	87.7	Confident	82 Å²	82	45 Å²	45	44%	0.439	27%	0.27	S	S	.	.	H	α-helix	trans	-83.9	-36.1	178.6	-72.5	10	0	0	0	111.3	S493 A494 G575 H576 M579	S493-N496 PolarHBondContact O-N 3.27Å; S493-N496 VanDerWaalsContact O-N 3.14Å; S493-N496 VanDerWaalsContact OG-CG 3.31Å; S493-N496 PolarHBondContact OG-OD1 3Å; A494-N496 VanDerWaalsContact C-N 3.3Å; A494-N496 PolarHBondContact O-N 3.09Å; N496-G575 CarbonylContact O-C 3.58Å; N496-G575 WeakPolarHBondContact O-CA 3.08Å; N496-H576 PolarHBondContact O-CD2 2.83Å; N496-H576 VanDerWaalsContact O-CD2 3.23Å; N496-H576 PolarHBondContact O-N 3.4Å; N496-M579 VanDerWaalsContact C-CE 3.46Å; N496-M579 HydrophobicContact CB-CE 3.3Å
497	I	87	Confident	88.9	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-70.7	-42.6	-175.5	-170.4	168	0	0	0	111.8	S493 A494 I505 V564 V566 G575 H576 Y577 M579	S493-I497 PolarHBondContact O-N 3.43Å; A494-I497 WeakPolarHBondContact O-CG2 3.26Å; I497-I505 HydrophobicContact CD1-CG2 4.12Å; I497-V564 HydrophobicContact CD1-CB 4.06Å; I497-V564 HydrophobicContact CD1-CG1 3.41Å; I497-V564 VanDerWaalsContact CD1-CG1 3.41Å; I497-V566 HydrophobicContact CG1-CG2 4.04Å; I497-G575 CarbonylContact O-C 3.53Å; I497-G575 WeakPolarHBondContact O-CA 3.05Å; I497-H576 PolarHBondContact O-N 2.95Å; I497-Y577 PolarHBondContact O-N 3.15Å; I497-Y577 VanDerWaalsContact O-N 3.11Å; I497-M579 HydrophobicContact CB-CE 3.76Å; I497-M579 HydrophobicContact CB-SD 4.25Å
498	S	86.4	Confident	89.5	Confident	3 Å²	3	37 Å²	37	2%	0.021	23%	0.228	C	C	.	.			trans	-140.3	141.5	178.4	-178.5	0	0	0	0	109.6	K500 A503 D573	S498-K500 VanDerWaalsContact C-N 3.3Å; S498-K500 PolarHBondContact OG-N 2.86Å; S498-K500 VanDerWaalsContact OG-N 3.1Å; S498-A503 VanDerWaalsContact OG-CB 3.27Å; S498-A503 WeakPolarHBondContact OG-CB 3.42Å; S498-D573 WeakPolarHBondContact CA-OD2 3.35Å; S498-D573 WeakPolarHBondContact CB-OD2 3.49Å; S498-D573 VanDerWaalsContact OG-CG 3.3Å; S498-D573 PolarHBondContact OG-OD2 2.96Å
499	S	77.4	Confident	89.9	Confident	36 Å²	36	37 Å²	37	25%	0.252	23%	0.228	S	C	.	.	S	Bend	trans	-80	-13.1	170.6	57.4	0	0	0	0	113.6	D573 Y574	S499-D573 WeakPolarHBondContact CB-OD1 3.41Å; S499-D573 PolarHBondContact N-OD1 3.44Å; S499-D573 PolarHBondContact OG-OD1 3.47Å; S499-Y574 VanDerWaalsContact OG-CD1 3.31Å; S499-Y574 WeakPolarHBondContact OG-CD1 3.47Å; S499-Y574 VanDerWaalsContact OG-CE1 3.32Å; S499-Y574 WeakPolarHBondContact OG-CE1 3.1Å; S499-Y574 PolarHBondContact OG-N 2.88Å
500	K	82.7	Confident	90.2	Very high	67 Å²	67	38 Å²	38	29%	0.291	23%	0.231	S	C	.	.			trans	-92.8	133.4	-177.2	-63.3	-164.5	174.9	-164.7	0	111.1	S498 D502 A503 D570 S572	S498-K500 VanDerWaalsContact C-N 3.3Å; S498-K500 PolarHBondContact OG-N 2.86Å; S498-K500 VanDerWaalsContact OG-N 3.1Å; K500-D502 VanDerWaalsContact C-N 3.33Å; K500-D502 PolarHBondContact O-N 3.42Å; K500-A503 HydrophobicContact CB-CB 4.31Å; K500-A503 WeakPolarHBondContact O-CB 3.37Å; K500-A503 PolarHBondContact O-N 3.44Å; K500-D570 WeakPolarHBondContact CE-OD2 3.34Å; K500-D570 IonicContact NZ-OD1 3.46Å; K500-D570 IonicContact NZ-OD2 3.95Å; K500-D570 PolarHBondContact NZ-OD2 3.17Å; K500-S572 VanDerWaalsContact CE-OG 3.26Å; K500-S572 WeakPolarHBondContact CE-OG 3.39Å; K500-S572 PolarHBondContact NZ-OG 3.2Å
501	A	80.2	Confident	90.4	Very high	106 Å²	106	38 Å²	38	88%	0.876	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-29.3	-176.8	0	0	0	0	0	113.2
502	D	86.7	Confident	90.5	Very high	130 Å²	130	35.1 Å²	35.1	70%	0.695	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97	5.9	-177.1	64.3	-38.2	0	0	0	113.9	K500 K504	K500-D502 VanDerWaalsContact C-N 3.33Å; K500-D502 PolarHBondContact O-N 3.42Å; D502-K504 PolarHBondContact O-N 3.36Å
503	A	89.1	Confident	90.5	Very high	14 Å²	14	36.4 Å²	36.4	12%	0.116	22%	0.221	C	C	.	.			trans	-57.8	138	-178.5	0	0	0	0	0	112.6	S498 K500 N533	S498-A503 VanDerWaalsContact OG-CB 3.27Å; S498-A503 WeakPolarHBondContact OG-CB 3.42Å; K500-A503 HydrophobicContact CB-CB 4.31Å; K500-A503 WeakPolarHBondContact O-CB 3.37Å; K500-A503 PolarHBondContact O-N 3.44Å; A503-N533 HydrophobicContact CB-CB 4.48Å; A503-N533 VanDerWaalsContact O-CB 3.25Å; A503-N533 WeakPolarHBondContact O-CB 3.35Å; A503-N533 PolarHBondContact O-N 3.01Å; A503-N533 VanDerWaalsContact O-N 3.11Å
504	K	94.2	Very high	90.6	Very high	93 Å²	93	34.1 Å²	34.1	40%	0.404	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	146.5	170.9	-59.7	-59.6	-174.5	176.3	0	110.3	D502 I531 V566 S567	D502-K504 PolarHBondContact O-N 3.36Å; K504-I531 CarbonylContact C-O 3.41Å; K504-I531 VanDerWaalsContact CA-O 3.32Å; K504-I531 WeakPolarHBondContact CA-O 3.5Å; K504-V566 WeakPolarHBondContact O-CA 3.34Å; K504-S567 PolarHBondContact O-N 2.57Å; K504-S567 PolarHBondContact O-OG 2.82Å
505	I	95.3	Very high	90.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	155.3	-179.6	60.7	140.7	0	0	0	112.2	W492 I497 L507 Q530 I531 N533 V564 R565 S567	W492-I505 HydrophobicContact CD2-CD1 4.45Å; W492-I505 HydrophobicContact CH2-CD1 3.49Å; W492-I505 VanDerWaalsContact CH2-CD1 3.49Å; W492-I505 HydrophobicContact CZ2-CD1 3.1Å; W492-I505 HydrophobicContact CZ2-CG1 4.21Å; W492-I505 HydrophobicContact CZ3-CD1 4.3Å; I497-I505 HydrophobicContact CD1-CG2 4.12Å; I505-L507 HydrophobicContact CD1-CD2 4.03Å; I505-Q530 PolarHBondContact O-N 3.2Å; I505-I531 HydrophobicContact CD1-CD1 3.89Å; I505-I531 HydrophobicContact CD1-CG1 3.87Å; I505-I531 HydrophobicContact CG1-CD1 4.19Å; I505-I531 HydrophobicContact CG1-CG1 3.58Å; I505-I531 PolarHBondContact N-O 3.03Å; I505-I531 WeakPolarHBondContact O-CG1 3.46Å; I505-I531 PolarHBondContact O-N 3.28Å; I505-N533 HydrophobicContact CG2-CB 4.04Å; I505-V564 HydrophobicContact CD1-CG1 3.79Å; I505-R565 CarbonylContact C-O 3.54Å; I505-R565 WeakPolarHBondContact CA-O 3.09Å; I505-R565 WeakPolarHBondContact CB-O 3.49Å; I505-S567 WeakPolarHBondContact CA-OG 3.3Å; I505-S567 PolarHBondContact N-OG 3.05Å; I505-S567 VanDerWaalsContact N-OG 3.17Å; I505-S567 PolarHBondContact O-OG 3.42Å; I505-S567 VanDerWaalsContact O-OG 3.12Å
506	D	96.6	Very high	89.9	Confident	9 Å²	9	36.8 Å²	36.8	5%	0.048	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	142.4	172.4	-61.7	-21.2	0	0	0	109.8	V508 R529 Q530 V564 R565 S567	D506-V508 HydrophobicContact CB-CG2 3.83Å; D506-R529 HydrophobicContact CB-CG 4.4Å; D506-R529 VanDerWaalsContact OD1-CA 3.26Å; D506-R529 WeakPolarHBondContact OD1-CA 3.27Å; D506-R529 WeakPolarHBondContact OD1-CB 3.18Å; D506-Q530 PolarHBondContact OD1-N 2.03Å; D506-V564 WeakPolarHBondContact O-CA 3.4Å; D506-R565 HydrophobicContact CB-CG 3.9Å; D506-R565 PolarHBondContact N-O 3.07Å; D506-R565 PolarHBondContact O-N 2.97Å; D506-R565 IonicContact OD2-NE 3.63Å; D506-R565 PolarHBondContact OD2-NE 2.72Å; D506-R565 IonicContact OD2-NH2 3.68Å; D506-S567 VanDerWaalsContact CG-OG 3.26Å; D506-S567 PolarHBondContact N-OG 3.37Å; D506-S567 VanDerWaalsContact OD1-CB 3.29Å; D506-S567 WeakPolarHBondContact OD1-CB 3.27Å; D506-S567 PolarHBondContact OD1-OG 3.03Å
507	L	97.1	Very high	89.7	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	103.8	173.2	-58.4	180	0	0	0	108.3	I490 W492 I505 A526 I527 A528 I531 Y537 V564	I490-L507 HydrophobicContact CD1-CD1 4.16Å; I490-L507 HydrophobicContact CG2-CD2 4.49Å; W492-L507 HydrophobicContact CZ3-CD2 4.26Å; I505-L507 HydrophobicContact CD1-CD2 4.03Å; L507-A526 CarbonylContact O-C 3.28Å; L507-A526 WeakPolarHBondContact O-CA 3.28Å; L507-A526 WeakPolarHBondContact O-CB 3.49Å; L507-I527 HydrophobicContact CB-CB 4.11Å; L507-I527 PolarHBondContact O-N 2.99Å; L507-A528 PolarHBondContact N-O 2.96Å; L507-I531 HydrophobicContact CD1-CD1 3.67Å; L507-I531 HydrophobicContact CG-CD1 3.91Å; L507-Y537 HydrophobicContact CD1-CD1 3.38Å; L507-Y537 HydrophobicContact CD1-CD2 4.39Å; L507-Y537 HydrophobicContact CD1-CE1 4.16Å; L507-Y537 HydrophobicContact CD1-CG 3.52Å; L507-V564 HydrophobicContact CD2-CB 4.25Å; L507-V564 HydrophobicContact CD2-CG1 3.93Å; L507-V564 HydrophobicContact CD2-CG2 3.68Å
508	V	96.7	Very high	89.8	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	143.9	-167.2	-177.8	0	0	0	0	110.1	D506 E523 G525 I562 Q563	D506-V508 HydrophobicContact CB-CG2 3.83Å; V508-E523 HydrophobicContact CG1-CB 4.37Å; V508-E523 VanDerWaalsContact CG1-CD 3.42Å; V508-E523 HydrophobicContact CG1-CG 3.43Å; V508-E523 VanDerWaalsContact CG1-CG 3.43Å; V508-E523 WeakPolarHBondContact CG1-OE2 3.39Å; V508-G525 WeakPolarHBondContact CG1-O 3.33Å; V508-I562 WeakPolarHBondContact O-CA 3.41Å; V508-Q563 HydrophobicContact CB-CB 4.26Å; V508-Q563 PolarHBondContact N-O 3.22Å; V508-Q563 PolarHBondContact O-N 3.37Å
509	L	96.6	Very high	90	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	126.3	175.9	-67.3	163.9	0	0	0	109.4	V524 G525 I527 I562 F586 W588 Y589	L509-V524 HydrophobicContact CB-CG2 3.96Å; L509-V524 WeakPolarHBondContact O-CG2 3.12Å; L509-V524 PolarHBondContact O-N 3.19Å; L509-G525 PolarHBondContact N-O 2.85Å; L509-G525 PolarHBondContact O-N 3.22Å; L509-I527 HydrophobicContact CD1-CG1 4.06Å; L509-I527 HydrophobicContact CD2-CD1 4.36Å; L509-I527 HydrophobicContact CG-CD1 4.48Å; L509-I527 HydrophobicContact CG-CG1 4.26Å; L509-I562 HydrophobicContact CD2-CG1 3.63Å; L509-F586 HydrophobicContact CB-CE1 4.49Å; L509-F586 HydrophobicContact CB-CE2 4.44Å; L509-F586 HydrophobicContact CB-CZ 4.07Å; L509-F586 HydrophobicContact CD2-CD1 4.08Å; L509-F586 HydrophobicContact CD2-CE1 3.47Å; L509-F586 VanDerWaalsContact CD2-CE1 3.47Å; L509-F586 HydrophobicContact CD2-CZ 3.88Å; L509-F586 HydrophobicContact CG-CE1 4.48Å; L509-W588 HydrophobicContact CD1-CH2 4.45Å; L509-W588 HydrophobicContact CD2-CH2 4.13Å; L509-Y589 HydrophobicContact CD1-CD1 3.39Å; L509-Y589 HydrophobicContact CD1-CD2 3.37Å; L509-Y589 HydrophobicContact CD1-CE1 3.42Å; L509-Y589 VanDerWaalsContact CD1-CE1 3.42Å; L509-Y589 HydrophobicContact CD1-CE2 3.43Å; L509-Y589 VanDerWaalsContact CD1-CE2 3.43Å; L509-Y589 HydrophobicContact CD1-CG 3.37Å; L509-Y589 VanDerWaalsContact CD1-CZ 3.46Å
510	W	96.9	Very high	90.7	Very high	22 Å²	22	48.7 Å²	48.7	8%	0.083	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	122.8	175.9	-76	72.4	0	0	0	108.9	L424 Y521 V522 E523 G560 S561 Q563 W580 F586	L424-W510 HydrophobicContact CD1-CH2 3.35Å; L424-W510 HydrophobicContact CD1-CZ2 3.47Å; L424-W510 VanDerWaalsContact CD1-CZ2 3.47Å; L424-W510 HydrophobicContact CD1-CZ3 4.15Å; W510-Y521 HydrophobicContact CB-CE1 4.1Å; W510-Y521 HydrophobicContact CB-CE2 4.07Å; W510-Y521 HydrophobicContact CD2-CE1 4.28Å; W510-Y521 AromaticContact CE3-CD1 3.81Å; W510-Y521 HydrophobicContact CE3-CD1 3.81Å; W510-Y521 AromaticContact CE3-CE1 3.86Å; W510-Y521 HydrophobicContact CE3-CE1 3.86Å; W510-Y521 HydrophobicContact CE3-CG 4.49Å; W510-Y521 HydrophobicContact CG-CE1 4.39Å; W510-Y521 HydrophobicContact CZ3-CD1 4.42Å; W510-Y521 WeakPolarHBondContact CZ3-O 3.31Å; W510-V522 CarbonylContact C-O 3.47Å; W510-V522 VanDerWaalsContact CA-O 3.26Å; W510-V522 WeakPolarHBondContact CA-O 3.38Å; W510-E523 HydrophobicContact CD2-CB 4.44Å; W510-E523 HydrophobicContact CZ2-CB 4.17Å; W510-G560 CarbonylContact O-C 3.52Å; W510-G560 WeakPolarHBondContact O-CA 3.38Å; W510-S561 PolarHBondContact N-O 3.17Å; W510-S561 PolarHBondContact O-N 2.93Å; W510-Q563 VanDerWaalsContact NE1-CD 3.3Å; W510-W580 HydrophobicContact CB-CZ3 4.12Å; W510-W580 AromaticContact CD1-CH2 3.93Å; W510-W580 AromaticContact CD1-CZ3 3.65Å; W510-W580 AromaticContact CD2-CH2 3.97Å; W510-W580 HydrophobicContact CD2-CH2 3.97Å; W510-W580 HydrophobicContact CD2-CZ3 4.23Å; W510-W580 AromaticContact CE2-CH2 3.99Å; W510-W580 AromaticContact CG-CH2 3.96Å; W510-W580 HydrophobicContact CG-CH2 3.96Å; W510-W580 AromaticContact CG-CZ3 3.72Å; W510-W580 HydrophobicContact CG-CZ3 3.72Å; W510-W580 AromaticContact NE1-CH2 3.92Å; W510-F586 WeakPolarHBondContact O-CZ 3.44Å
511	G	97.1	Very high	91.2	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	139.5	177.5	0	0	0	0	0	111.2	Y521 V522 F557 G559	G511-Y521 VanDerWaalsContact O-CA 3.31Å; G511-Y521 WeakPolarHBondContact O-CA 3.13Å; G511-Y521 WeakPolarHBondContact O-CD2 3.44Å; G511-V522 PolarHBondContact N-O 3.27Å; G511-V522 PolarHBondContact O-N 2.75Å; G511-V522 VanDerWaalsContact O-N 3.1Å; G511-F557 VanDerWaalsContact C-CE1 3.46Å; G511-F557 VanDerWaalsContact O-CE1 3.28Å; G511-F557 WeakPolarHBondContact O-CE1 3.22Å; G511-G559 WeakPolarHBondContact CA-O 3.38Å
512	Y	96.3	Very high	91.9	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	134.6	170.1	-174.3	-92.2	0	0	0	110.6	F428 E514 R519 E520 Y521 G559 W731	F428-Y512 HydrophobicContact CE1-CE2 4.41Å; Y512-E514 HydrophobicContact CE1-CB 4.24Å; Y512-E514 HydrophobicContact CE1-CG 4.02Å; Y512-E514 PolarHBondContact OH-OE2 2.75Å; Y512-R519 HydrophobicContact CE2-CB 4.3Å; Y512-E520 WeakPolarHBondContact CA-O 3.44Å; Y512-Y521 AromaticContact CD2-CD2 3.69Å; Y512-Y521 HydrophobicContact CD2-CD2 3.69Å; Y512-Y521 HydrophobicContact CD2-CG 4.3Å; Y512-Y521 HydrophobicContact CG-CD2 4.2Å; Y512-G559 PolarHBondContact N-O 3.4Å; Y512-W731 HydrophobicContact CD1-CB 3.92Å; Y512-W731 HydrophobicContact CD1-CE3 4.18Å; Y512-W731 HydrophobicContact CD2-CB 3.85Å; Y512-W731 AromaticContact CD2-CD2 3.97Å; Y512-W731 HydrophobicContact CD2-CD2 3.97Å; Y512-W731 HydrophobicContact CD2-CE3 4.18Å; Y512-W731 AromaticContact CD2-CG 3.87Å; Y512-W731 HydrophobicContact CD2-CG 3.87Å; Y512-W731 HydrophobicContact CE1-CB 3.59Å; Y512-W731 WeakPolarHBondContact CE1-O 3.37Å; Y512-W731 HydrophobicContact CE2-CB 3.52Å; Y512-W731 HydrophobicContact CE2-CD2 4.48Å; Y512-W731 AromaticContact CE2-CG 3.89Å; Y512-W731 HydrophobicContact CE2-CG 3.89Å; Y512-W731 HydrophobicContact CG-CB 4.04Å; Y512-W731 HydrophobicContact CG-CD2 4.02Å; Y512-W731 AromaticContact CG-CE3 3.74Å; Y512-W731 HydrophobicContact CG-CE3 3.74Å; Y512-W731 HydrophobicContact CG-CG 4.2Å
513	R	94.5	Very high	92.4	Very high	44 Å²	44	38.9 Å²	38.9	17%	0.166	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	156	167	69.2	-177.4	-64.7	-80.7	-12.4	109.4	E520 F557 Y735	R513-E520 HydrophobicContact CG-CB 3.75Å; R513-E520 HydrophobicContact CG-CG 4.42Å; R513-E520 IonicContact CZ-OE1 3.33Å; R513-E520 PolarHBondContact N-O 2.81Å; R513-E520 IonicContact NH1-OE1 3.87Å; R513-E520 PolarHBondContact NH1-OE1 3.37Å; R513-E520 PolarHBondContact O-N 2.82Å; R513-F557 HydrophobicContact CB-CD1 4.01Å; R513-F557 HydrophobicContact CB-CE1 3.82Å; R513-F557 VanDerWaalsContact CD-CZ 3.48Å; R513-F557 HydrophobicContact CG-CD1 4.05Å; R513-F557 HydrophobicContact CG-CE1 3.4Å; R513-F557 VanDerWaalsContact CG-CE1 3.4Å; R513-F557 HydrophobicContact CG-CZ 3.67Å; R513-Y735 HydrophobicContact CB-CD2 4.4Å; R513-Y735 HydrophobicContact CB-CE2 3.92Å
514	E	92.6	Very high	92.8	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.009	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	154	169.8	55.8	173.6	-138.8	0	0	110.7	Y512 E518 R519 P725 L726 S732 Y735 N736	Y512-E514 HydrophobicContact CE1-CB 4.24Å; Y512-E514 HydrophobicContact CE1-CG 4.02Å; Y512-E514 PolarHBondContact OH-OE2 2.75Å; E514-E518 WeakPolarHBondContact CA-O 3.25Å; E514-R519 HydrophobicContact CB-CB 4.4Å; E514-P725 HydrophobicContact CB-CB 4.08Å; E514-P725 HydrophobicContact CB-CG 3.7Å; E514-P725 HydrophobicContact CG-CB 4.37Å; E514-P725 HydrophobicContact CG-CG 4.47Å; E514-L726 WeakPolarHBondContact OE1-CD2 3.35Å; E514-S732 WeakPolarHBondContact OE1-CB 3.42Å; E514-S732 PolarHBondContact OE1-OG 3.49Å; E514-S732 WeakPolarHBondContact OE2-CB 3.33Å; E514-S732 PolarHBondContact OE2-OG 2.63Å; E514-Y735 HydrophobicContact CG-CD1 3.52Å; E514-Y735 HydrophobicContact CG-CE1 4.11Å; E514-Y735 HydrophobicContact CG-CG 4.14Å; E514-Y735 WeakPolarHBondContact O-CE1 3.36Å; E514-N736 PolarHBondContact OE1-ND2 2.88Å
515	D	84.1	Confident	92.9	Very high	51 Å²	51	33.8 Å²	33.8	27%	0.273	16%	0.162	S	C	.	.			trans	-116.3	-157.5	165.4	63.4	36.4	0	0	0	110.2	I517 E518 P725	D515-I517 VanDerWaalsContact C-N 3.27Å; D515-I517 PolarHBondContact O-N 3.27Å; D515-I517 WeakPolarHBondContact OD1-CA 3.44Å; D515-I517 PolarHBondContact OD1-N 2.85Å; D515-E518 PolarHBondContact N-O 3.14Å; D515-E518 PolarHBondContact OD1-N 3.47Å; D515-P725 VanDerWaalsContact O-CB 3.27Å; D515-P725 WeakPolarHBondContact O-CB 3.4Å
516	M	75.7	Confident	92.9	Very high	114 Å²	114	33.9 Å²	33.9	56%	0.562	16%	0.163	S	C	*	.	S	Bend	trans	-77	-11.8	-178.7	-64.3	-61.6	-64.2	0	0	113.6	R617	M516-R617 PolarHBondContact SD-NE 3.08Å; M516-R617 PolarHBondContact SD-NH2 3.43Å; M516-R617 VanDerWaalsContact SD-NH2 3.41Å
517	I	81.4	Confident	92.8	Very high	139 Å²	139	34 Å²	34	71%	0.713	16%	0.163	S	C	*	.	S	Bend	trans	-122	-49.6	-172.3	-51.6	178	0	0	0	110.5	D515	D515-I517 VanDerWaalsContact C-N 3.27Å; D515-I517 PolarHBondContact O-N 3.27Å; D515-I517 WeakPolarHBondContact OD1-CA 3.44Å; D515-I517 PolarHBondContact OD1-N 2.85Å
518	E	87.5	Confident	92.7	Very high	132 Å²	132	34.4 Å²	34.4	62%	0.617	17%	0.167	S	C	*	.			trans	-127.5	156.7	-168.4	-61.5	-168.8	172.1	0	0	112.8	E514 D515	E514-E518 WeakPolarHBondContact CA-O 3.25Å; D515-E518 PolarHBondContact N-O 3.14Å; D515-E518 PolarHBondContact OD1-N 3.47Å
519	R	90.8	Very high	92.7	Very high	52 Å²	52	39.3 Å²	39.3	20%	0.196	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	149.6	172.4	67.4	173.3	-177.6	87.8	3.2	109.5	N425 F428 Y512 E514 P725	N425-R519 PolarHBondContact O-NH2 2.89Å; N425-R519 PolarHBondContact OD1-NH1 3.27Å; F428-R519 VanDerWaalsContact CD1-CZ 3.41Å; F428-R519 VanDerWaalsContact CE2-NH1 3.26Å; F428-R519 VanDerWaalsContact CG-NH2 3.33Å; Y512-R519 HydrophobicContact CE2-CB 4.3Å; E514-R519 HydrophobicContact CB-CB 4.4Å; R519-P725 HydrophobicContact CB-CG 4.3Å
520	E	92.9	Very high	92.6	Very high	48 Å²	48	44.8 Å²	44.8	22%	0.224	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	132.6	169.7	-69.4	172.6	-126.3	0	0	109.5	Y512 R513 R556 F557	Y512-E520 WeakPolarHBondContact CA-O 3.44Å; R513-E520 HydrophobicContact CG-CB 3.75Å; R513-E520 HydrophobicContact CG-CG 4.42Å; R513-E520 IonicContact CZ-OE1 3.33Å; R513-E520 PolarHBondContact N-O 2.81Å; R513-E520 IonicContact NH1-OE1 3.87Å; R513-E520 PolarHBondContact NH1-OE1 3.37Å; R513-E520 PolarHBondContact O-N 2.82Å; E520-R556 IonicContact OE1-CZ 3.02Å; E520-R556 IonicContact OE1-NH2 3.94Å; E520-R556 PolarHBondContact OE1-NH2 3.17Å; E520-R556 IonicContact OE2-CZ 2.82Å; E520-R556 IonicContact OE2-NH1 3.59Å; E520-R556 IonicContact OE2-NH2 2.8Å; E520-R556 PolarHBondContact OE2-NH2 2.86Å; E520-F557 HydrophobicContact CB-CE1 4.34Å; E520-F557 HydrophobicContact CB-CZ 4.02Å
521	Y	93.6	Very high	92.5	Very high	3 Å²	3	44.7 Å²	44.7	1%	0.012	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	100.5	173.3	-170.7	-110.4	0	0	0	109.1	I381 N425 F428 W510 G511 Y512 S561 W580 W731	I381-Y521 HydrophobicContact CD1-CE1 4.44Å; I381-Y521 HydrophobicContact CG2-CD1 4.15Å; I381-Y521 HydrophobicContact CG2-CE1 3.46Å; I381-Y521 VanDerWaalsContact CG2-CE1 3.46Å; N425-Y521 PolarHBondContact ND2-O 2.99Å; N425-Y521 WeakPolarHBondContact OD1-CB 3.36Å; N425-Y521 WeakPolarHBondContact OD1-CD1 3.42Å; F428-Y521 HydrophobicContact CZ-CD1 4.02Å; F428-Y521 HydrophobicContact CZ-CG 4.17Å; W510-Y521 HydrophobicContact CB-CE1 4.1Å; W510-Y521 HydrophobicContact CB-CE2 4.07Å; W510-Y521 HydrophobicContact CD2-CE1 4.28Å; W510-Y521 AromaticContact CE3-CD1 3.81Å; W510-Y521 HydrophobicContact CE3-CD1 3.81Å; W510-Y521 AromaticContact CE3-CE1 3.86Å; W510-Y521 HydrophobicContact CE3-CE1 3.86Å; W510-Y521 HydrophobicContact CE3-CG 4.49Å; W510-Y521 HydrophobicContact CG-CE1 4.39Å; W510-Y521 HydrophobicContact CZ3-CD1 4.42Å; W510-Y521 WeakPolarHBondContact CZ3-O 3.31Å; G511-Y521 VanDerWaalsContact O-CA 3.31Å; G511-Y521 WeakPolarHBondContact O-CA 3.13Å; G511-Y521 WeakPolarHBondContact O-CD2 3.44Å; Y512-Y521 AromaticContact CD2-CD2 3.69Å; Y512-Y521 HydrophobicContact CD2-CD2 3.69Å; Y512-Y521 HydrophobicContact CD2-CG 4.3Å; Y512-Y521 HydrophobicContact CG-CD2 4.2Å; Y521-S561 PolarHBondContact OH-OG 2.58Å; Y521-W580 HydrophobicContact CE1-CH2 4.09Å; Y521-W580 HydrophobicContact CE1-CZ3 4.14Å; Y521-W580 WeakPolarHBondContact OH-CZ3 3.39Å; Y521-W731 AromaticContact CE2-CH2 3.86Å; Y521-W731 HydrophobicContact CE2-CH2 3.86Å; Y521-W731 AromaticContact CE2-CZ2 3.7Å; Y521-W731 HydrophobicContact CE2-CZ2 3.7Å; Y521-W731 HydrophobicContact CE2-CZ3 4.42Å; Y521-W731 AromaticContact CZ-CZ2 3.88Å
522	V	95.2	Very high	92.3	Very high	50 Å²	50	48.5 Å²	48.5	30%	0.303	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	155.6	-165.5	-61.8	0	0	0	0	111.5	W510 G511 V524 L553 F557	W510-V522 CarbonylContact C-O 3.47Å; W510-V522 VanDerWaalsContact CA-O 3.26Å; W510-V522 WeakPolarHBondContact CA-O 3.38Å; G511-V522 PolarHBondContact N-O 3.27Å; G511-V522 PolarHBondContact O-N 2.75Å; G511-V522 VanDerWaalsContact O-N 3.1Å; V522-V524 HydrophobicContact CG2-CG1 4.27Å; V522-V524 PolarHBondContact O-N 3.05Å; V522-L553 HydrophobicContact CG2-CD1 4.29Å; V522-F557 HydrophobicContact CG2-CE1 4.14Å; V522-F557 HydrophobicContact CG2-CE2 3.74Å; V522-F557 HydrophobicContact CG2-CZ 3.43Å; V522-F557 VanDerWaalsContact CG2-CZ 3.43Å
523	E	95.7	Very high	92.2	Very high	44 Å²	44	49.7 Å²	49.7	21%	0.206	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	118.8	171.3	-179.2	170.3	139.7	0	0	109.7	V508 W510 R529 R565	V508-E523 HydrophobicContact CG1-CB 4.37Å; V508-E523 VanDerWaalsContact CG1-CD 3.42Å; V508-E523 HydrophobicContact CG1-CG 3.43Å; V508-E523 VanDerWaalsContact CG1-CG 3.43Å; V508-E523 WeakPolarHBondContact CG1-OE2 3.39Å; W510-E523 HydrophobicContact CD2-CB 4.44Å; W510-E523 HydrophobicContact CZ2-CB 4.17Å; E523-R529 IonicContact OE1-CZ 2.95Å; E523-R529 IonicContact OE1-NH1 3.48Å; E523-R529 IonicContact OE1-NH2 3.02Å; E523-R529 PolarHBondContact OE1-NH2 2.72Å; E523-R565 IonicContact OE1-NH2 3.38Å; E523-R565 IonicContact OE2-CZ 3.95Å; E523-R565 IonicContact OE2-NH1 3.08Å; E523-R565 PolarHBondContact OE2-NH1 3.42Å; E523-R565 IonicContact OE2-NH2 2.82Å; E523-R565 PolarHBondContact OE2-NH2 2.82Å
524	V	97.1	Very high	92.1	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	-16.9	-178.8	-64.1	0	0	0	0	113.1	L509 V522 V550 L553 F557 F586 F590	L509-V524 HydrophobicContact CB-CG2 3.96Å; L509-V524 WeakPolarHBondContact O-CG2 3.12Å; L509-V524 PolarHBondContact O-N 3.19Å; V522-V524 HydrophobicContact CG2-CG1 4.27Å; V522-V524 PolarHBondContact O-N 3.05Å; V524-V550 PolarHBondContact O-N 3.06Å; V524-L553 HydrophobicContact CB-CB 4.43Å; V524-L553 HydrophobicContact CG1-CB 4.2Å; V524-L553 HydrophobicContact CG1-CD1 4.23Å; V524-F557 HydrophobicContact CG1-CB 4.01Å; V524-F557 HydrophobicContact CG1-CD1 4.31Å; V524-F557 HydrophobicContact CG1-CD2 3.69Å; V524-F557 HydrophobicContact CG1-CE2 4.23Å; V524-F557 HydrophobicContact CG1-CG 3.75Å; V524-F586 HydrophobicContact CG2-CD2 4.23Å; V524-F586 HydrophobicContact CG2-CE2 3.75Å; V524-F590 HydrophobicContact CB-CZ 4.04Å; V524-F590 HydrophobicContact CG2-CE2 4.41Å; V524-F590 HydrophobicContact CG2-CZ 3.89Å
525	G	96.5	Very high	92.1	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.7	-176.6	176.8	0	0	0	0	0	112.9	V508 L509 L548	V508-G525 WeakPolarHBondContact CG1-O 3.33Å; L509-G525 PolarHBondContact N-O 2.85Å; L509-G525 PolarHBondContact O-N 3.22Å; G525-L548 CarbonylContact C-O 3.54Å; G525-L548 WeakPolarHBondContact CA-O 3.01Å
526	A	96.6	Very high	92.6	Very high	2 Å²	2	56.7 Å²	56.7	2%	0.017	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	151	171.6	0	0	0	0	0	111.2	L507 R529 L548 Y589	L507-A526 CarbonylContact O-C 3.28Å; L507-A526 WeakPolarHBondContact O-CA 3.28Å; L507-A526 WeakPolarHBondContact O-CB 3.49Å; A526-R529 HydrophobicContact CB-CG 4.15Å; A526-L548 HydrophobicContact CB-CB 4.24Å; A526-L548 HydrophobicContact CB-CD1 4.27Å; A526-L548 PolarHBondContact N-O 3.3Å; A526-L548 WeakPolarHBondContact O-CB 3.47Å; A526-Y589 PolarHBondContact N-OH 2.81Å; A526-Y589 PolarHBondContact O-OH 2.97Å
527	I	94.9	Very high	93.5	Very high	10 Å²	10	54.7 Å²	54.7	5%	0.051	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	-45.4	171.8	-62	169.3	0	0	0	108.9	I490 L507 L509 Y537 F539 L544 W588	I490-I527 HydrophobicContact CD1-CD1 3.41Å; I490-I527 VanDerWaalsContact CD1-CD1 3.41Å; L507-I527 HydrophobicContact CB-CB 4.11Å; L507-I527 PolarHBondContact O-N 2.99Å; L509-I527 HydrophobicContact CD1-CG1 4.06Å; L509-I527 HydrophobicContact CD2-CD1 4.36Å; L509-I527 HydrophobicContact CG-CD1 4.48Å; L509-I527 HydrophobicContact CG-CG1 4.26Å; I527-Y537 HydrophobicContact CG2-CD1 4.27Å; I527-Y537 HydrophobicContact CG2-CE1 3.88Å; I527-F539 HydrophobicContact CD1-CE1 4.08Å; I527-F539 HydrophobicContact CD1-CZ 3.92Å; I527-F539 HydrophobicContact CG2-CD1 3.81Å; I527-F539 HydrophobicContact CG2-CD2 4.14Å; I527-F539 HydrophobicContact CG2-CE1 3.97Å; I527-F539 HydrophobicContact CG2-CE2 4.28Å; I527-F539 HydrophobicContact CG2-CG 3.9Å; I527-F539 HydrophobicContact CG2-CZ 4.2Å; I527-L544 HydrophobicContact CG2-CD2 4.07Å; I527-W588 HydrophobicContact CD1-CH2 4.03Å; I527-W588 HydrophobicContact CD1-CZ3 4.44Å
528	A	95	Very high	94	Very high	9 Å²	9	50.9 Å²	50.9	7%	0.074	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	153.8	177.2	0	0	0	0	0	110.3	L507 I531 Y537	L507-A528 PolarHBondContact N-O 2.96Å; A528-I531 HydrophobicContact CB-CD1 4.49Å; A528-I531 HydrophobicContact CB-CG2 3.74Å; A528-Y537 HydrophobicContact CB-CE1 3.92Å; A528-Y537 HydrophobicContact CB-CE2 4.27Å
529	R	95.4	Very high	94.2	Very high	104 Å²	104	45.4 Å²	45.4	39%	0.392	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	155.1	174.4	-64.2	-169	-175.3	-133.5	-0.7	110.8	D506 E523 A526 I531	D506-R529 HydrophobicContact CB-CG 4.4Å; D506-R529 VanDerWaalsContact OD1-CA 3.26Å; D506-R529 WeakPolarHBondContact OD1-CA 3.27Å; D506-R529 WeakPolarHBondContact OD1-CB 3.18Å; E523-R529 IonicContact OE1-CZ 2.95Å; E523-R529 IonicContact OE1-NH1 3.48Å; E523-R529 IonicContact OE1-NH2 3.02Å; E523-R529 PolarHBondContact OE1-NH2 2.72Å; A526-R529 HydrophobicContact CB-CG 4.15Å; R529-I531 PolarHBondContact O-N 3.34Å
530	Q	94	Very high	94	Very high	114 Å²	114	44.4 Å²	44.4	53%	0.533	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	56.5	32.5	175.9	-61.5	-70.9	-18.7	0	0	114.1	I505 D506 S567	I505-Q530 PolarHBondContact O-N 3.2Å; D506-Q530 PolarHBondContact OD1-N 2.03Å; Q530-S567 VanDerWaalsContact CD-CB 3.43Å; Q530-S567 PolarHBondContact NE2-O 2.82Å
531	I	95.1	Very high	93.5	Very high	21 Å²	21	43.1 Å²	43.1	11%	0.108	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	153.5	179.3	68.3	174.4	0	0	0	111	W492 K504 I505 L507 A528 R529 Y537	W492-I531 HydrophobicContact CH2-CD1 4.48Å; K504-I531 CarbonylContact C-O 3.41Å; K504-I531 VanDerWaalsContact CA-O 3.32Å; K504-I531 WeakPolarHBondContact CA-O 3.5Å; I505-I531 HydrophobicContact CD1-CD1 3.89Å; I505-I531 HydrophobicContact CD1-CG1 3.87Å; I505-I531 HydrophobicContact CG1-CD1 4.19Å; I505-I531 HydrophobicContact CG1-CG1 3.58Å; I505-I531 PolarHBondContact N-O 3.03Å; I505-I531 WeakPolarHBondContact O-CG1 3.46Å; I505-I531 PolarHBondContact O-N 3.28Å; L507-I531 HydrophobicContact CD1-CD1 3.67Å; L507-I531 HydrophobicContact CG-CD1 3.91Å; A528-I531 HydrophobicContact CB-CD1 4.49Å; A528-I531 HydrophobicContact CB-CG2 3.74Å; R529-I531 PolarHBondContact O-N 3.34Å; I531-Y537 HydrophobicContact CD1-CD2 3.44Å; I531-Y537 VanDerWaalsContact CD1-CD2 3.44Å; I531-Y537 HydrophobicContact CD1-CE2 3.95Å; I531-Y537 HydrophobicContact CD1-CG 3.84Å; I531-Y537 HydrophobicContact CG2-CE2 4.16Å
532	P	94.2	Very high	92.9	Very high	80 Å²	80	45.2 Å²	45.2	52%	0.519	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	138.9	174.4	-19.2	31.2	0	0	0	112.4	S534	P532-S534 VanDerWaalsContact C-N 3.31Å; P532-S534 PolarHBondContact O-N 3.01Å
533	N	93.7	Very high	92.3	Very high	25 Å²	25	49.4 Å²	49.4	13%	0.134	26%	0.258	C	S	.	.			trans	-70.4	81.6	174.1	-176.7	23.5	0	0	0	112.1	W492 A494 A503 I505	W492-N533 PolarHBondContact NE1-OD1 3.25Å; A494-N533 WeakPolarHBondContact CA-OD1 3.49Å; A494-N533 WeakPolarHBondContact CB-OD1 3.44Å; A494-N533 PolarHBondContact O-ND2 3.15Å; A503-N533 HydrophobicContact CB-CB 4.48Å; A503-N533 VanDerWaalsContact O-CB 3.25Å; A503-N533 WeakPolarHBondContact O-CB 3.35Å; A503-N533 PolarHBondContact O-N 3.01Å; A503-N533 VanDerWaalsContact O-N 3.11Å; I505-N533 HydrophobicContact CG2-CB 4.04Å
534	S	92.6	Very high	92	Very high	84 Å²	84	48.4 Å²	48.4	59%	0.587	25%	0.254	S	S	*	.			trans	-101.1	-2	-178.4	57.6	0	0	0	0	114.4	P532 R536	P532-S534 VanDerWaalsContact C-N 3.31Å; P532-S534 PolarHBondContact O-N 3.01Å; S534-R536 PolarHBondContact O-N 2.86Å; S534-R536 PolarHBondContact OG-O 3.14Å
535	G	92.5	Very high	91.5	Very high	12 Å²	12	52.1 Å²	52.1	12%	0.124	27%	0.274	C	S	.	.	S	Bend	trans	77.7	-2.7	-176.3	0	0	0	0	0	114.8	W492	W492-G535 VanDerWaalsContact CZ2-N 3.27Å; W492-G535 PolarHBondContact N-O 2.67Å; W492-G535 CarbonylContact O-C 3.59Å; W492-G535 WeakPolarHBondContact O-CA 3.47Å
536	R	94.5	Very high	91.1	Very high	148 Å²	148	55.5 Å²	55.5	56%	0.558	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-149.8	144.4	-178.4	175.9	175.1	70.3	-176	2.6	111.5	T489 I490 L491 W492 S534	T489-R536 HydrophobicContact CG2-CG 3.68Å; I490-R536 CarbonylContact O-C 3.39Å; I490-R536 VanDerWaalsContact O-CA 3.31Å; I490-R536 WeakPolarHBondContact O-CA 2.99Å; L491-R536 HydrophobicContact CD2-CB 3.77Å; L491-R536 HydrophobicContact CD2-CG 3.65Å; W492-R536 VanDerWaalsContact CH2-N 3.29Å; W492-R536 WeakPolarHBondContact CH2-O 2.87Å; S534-R536 PolarHBondContact O-N 2.86Å; S534-R536 PolarHBondContact OG-O 3.14Å
537	Y	94.5	Very high	90.8	Very high	71 Å²	71	60.7 Å²	60.7	28%	0.278	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	124.7	167.4	-171.2	-103.3	0	0	0	110.6	T489 I490 L507 I527 A528 I531 F539	T489-Y537 CarbonylContact C-O 3.05Å; T489-Y537 WeakPolarHBondContact CA-O 2.97Å; I490-Y537 PolarHBondContact N-O 2.94Å; I490-Y537 PolarHBondContact O-N 3.06Å; L507-Y537 HydrophobicContact CD1-CD1 3.38Å; L507-Y537 HydrophobicContact CD1-CD2 4.39Å; L507-Y537 HydrophobicContact CD1-CE1 4.16Å; L507-Y537 HydrophobicContact CD1-CG 3.52Å; I527-Y537 HydrophobicContact CG2-CD1 4.27Å; I527-Y537 HydrophobicContact CG2-CE1 3.88Å; A528-Y537 HydrophobicContact CB-CE1 3.92Å; A528-Y537 HydrophobicContact CB-CE2 4.27Å; I531-Y537 HydrophobicContact CD1-CD2 3.44Å; I531-Y537 VanDerWaalsContact CD1-CD2 3.44Å; I531-Y537 HydrophobicContact CD1-CE2 3.95Å; I531-Y537 HydrophobicContact CD1-CG 3.84Å; I531-Y537 HydrophobicContact CG2-CE2 4.16Å; Y537-F539 HydrophobicContact CD1-CB 4.36Å; Y537-F539 AromaticContact CD1-CD1 3.95Å; Y537-F539 HydrophobicContact CD1-CD1 3.95Å; Y537-F539 HydrophobicContact CE1-CB 3.86Å; Y537-F539 HydrophobicContact CE1-CD1 4.17Å; Y537-F539 HydrophobicContact CE1-CG 4.34Å
538	T	91.7	Very high	90.7	Very high	59 Å²	59	62.1 Å²	62.1	36%	0.362	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	133.9	177.1	-60.1	0	0	0	0	109.3	L488 T489	L488-T538 VanDerWaalsContact O-CA 3.31Å; L488-T538 WeakPolarHBondContact O-CA 3.07Å; T489-T538 WeakPolarHBondContact CG2-OG1 3.46Å; T489-T538 PolarHBondContact OG1-OG1 3.41Å
539	F	91.1	Very high	90.7	Very high	17 Å²	17	62.8 Å²	62.8	8%	0.075	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	159.9	179	65.2	-81.3	0	0	0	110.5	N487 L488 I490 I527 Y537 L544 W588	N487-F539 CarbonylContact C-O 3.52Å; N487-F539 WeakPolarHBondContact CA-O 3.3Å; L488-F539 HydrophobicContact CB-CD1 4.4Å; L488-F539 HydrophobicContact CB-CE1 3.84Å; L488-F539 HydrophobicContact CB-CE2 4.04Å; L488-F539 HydrophobicContact CB-CZ 3.64Å; L488-F539 HydrophobicContact CD1-CE2 3.99Å; L488-F539 HydrophobicContact CD1-CZ 3.84Å; L488-F539 HydrophobicContact CG-CZ 4.4Å; L488-F539 PolarHBondContact N-O 3.01Å; L488-F539 PolarHBondContact O-N 2.8Å; I490-F539 HydrophobicContact CD1-CE1 3.74Å; I490-F539 HydrophobicContact CG1-CE1 4.05Å; I527-F539 HydrophobicContact CD1-CE1 4.08Å; I527-F539 HydrophobicContact CD1-CZ 3.92Å; I527-F539 HydrophobicContact CG2-CD1 3.81Å; I527-F539 HydrophobicContact CG2-CD2 4.14Å; I527-F539 HydrophobicContact CG2-CE1 3.97Å; I527-F539 HydrophobicContact CG2-CE2 4.28Å; I527-F539 HydrophobicContact CG2-CG 3.9Å; I527-F539 HydrophobicContact CG2-CZ 4.2Å; Y537-F539 HydrophobicContact CD1-CB 4.36Å; Y537-F539 AromaticContact CD1-CD1 3.95Å; Y537-F539 HydrophobicContact CD1-CD1 3.95Å; Y537-F539 HydrophobicContact CE1-CB 3.86Å; Y537-F539 HydrophobicContact CE1-CD1 4.17Å; Y537-F539 HydrophobicContact CE1-CG 4.34Å; F539-L544 HydrophobicContact CD2-CD2 3.63Å; F539-L544 HydrophobicContact CD2-CG 4.16Å; F539-L544 HydrophobicContact CE2-CD1 4.34Å; F539-L544 HydrophobicContact CE2-CD2 3.85Å; F539-L544 HydrophobicContact CE2-CG 4.38Å; F539-W588 HydrophobicContact CE2-CE3 4.15Å; F539-W588 AromaticContact CE2-CZ3 3.75Å; F539-W588 HydrophobicContact CE2-CZ3 3.75Å; F539-W588 HydrophobicContact CZ-CE3 4.44Å; F539-W588 HydrophobicContact CZ-CH2 4.11Å; F539-W588 AromaticContact CZ-CZ3 3.8Å; F539-W588 HydrophobicContact CZ-CZ3 3.8Å
540	N	87.4	Confident	90.7	Very high	32 Å²	32	60.6 Å²	60.6	17%	0.171	34%	0.337	C	S	.	.			trans	-109.8	139.3	171.8	-172.2	-58.9	0	0	0	108.5	D486 A542 N543	D486-N540 PolarHBondContact OD1-ND2 3.12Å; D486-N540 PolarHBondContact OD1-OD1 2.93Å; N540-A542 PolarHBondContact O-N 2.98Å; N540-A542 WeakPolarHBondContact OD1-CB 3.11Å; N540-A542 PolarHBondContact OD1-N 3.22Å; N540-N543 PolarHBondContact O-N 2.83Å
541	Q	83	Confident	90.6	Very high	20 Å²	20	58 Å²	58	9%	0.093	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-49.9	-41.3	175	-178.6	-179.9	8.9	0	0	112.9	T483 N543 L544 W588 R591	T483-Q541 VanDerWaalsContact O-CD 3.28Å; T483-Q541 PolarHBondContact O-NE2 2.89Å; T483-Q541 PolarHBondContact O-OE1 3.18Å; Q541-N543 PolarHBondContact O-N 3.19Å; Q541-N543 VanDerWaalsContact O-N 3.15Å; Q541-L544 HydrophobicContact CG-CD1 4.44Å; Q541-L544 WeakPolarHBondContact O-CB 3.32Å; Q541-L544 PolarHBondContact O-N 3.42Å; Q541-W588 WeakPolarHBondContact CG-O 3.41Å; Q541-W588 PolarHBondContact NE2-O 3.25Å; Q541-R591 VanDerWaalsContact NE2-CD 3.34Å
542	A	80.7	Confident	90.5	Very high	48 Å²	48	62 Å²	62	40%	0.397	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-63.1	-21.9	-178.8	0	0	0	0	0	113.4	N540 R592	N540-A542 PolarHBondContact O-N 2.98Å; N540-A542 WeakPolarHBondContact OD1-CB 3.11Å; N540-A542 PolarHBondContact OD1-N 3.22Å; A542-R592 PolarHBondContact O-NH1 3.41Å; A542-R592 PolarHBondContact O-NH2 3.48Å
543	N	83.1	Confident	90.5	Very high	138 Å²	138	59.8 Å²	59.8	74%	0.738	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-105.2	7.5	-176	-62.4	-18.4	0	0	0	112.9	N540 Q541 D545	N540-N543 PolarHBondContact O-N 2.83Å; Q541-N543 PolarHBondContact O-N 3.19Å; Q541-N543 VanDerWaalsContact O-N 3.15Å; N543-D545 PolarHBondContact O-N 2.91Å
544	L	87.5	Confident	90.5	Very high	22 Å²	22	59.1 Å²	59.1	12%	0.115	34%	0.341	C	S	.	.			trans	-65.4	126.8	176.4	-74	170.3	0	0	0	110.9	I527 F539 Q541 S546 W588 Y589	I527-L544 HydrophobicContact CG2-CD2 4.07Å; F539-L544 HydrophobicContact CD2-CD2 3.63Å; F539-L544 HydrophobicContact CD2-CG 4.16Å; F539-L544 HydrophobicContact CE2-CD1 4.34Å; F539-L544 HydrophobicContact CE2-CD2 3.85Å; F539-L544 HydrophobicContact CE2-CG 4.38Å; Q541-L544 HydrophobicContact CG-CD1 4.44Å; Q541-L544 WeakPolarHBondContact O-CB 3.32Å; Q541-L544 PolarHBondContact O-N 3.42Å; L544-S546 PolarHBondContact O-N 3.25Å; L544-W588 HydrophobicContact CD1-CE3 4.13Å; L544-W588 HydrophobicContact CD1-CZ3 4.24Å; L544-Y589 HydrophobicContact CD1-CD2 3.76Å; L544-Y589 HydrophobicContact CD1-CE2 4.36Å; L544-Y589 HydrophobicContact CD2-CD2 4.35Å; L544-Y589 HydrophobicContact CD2-CE2 4.29Å
545	D	88.6	Confident	90.5	Very high	78 Å²	78	61.6 Å²	61.6	42%	0.417	34%	0.338	S	S	.	.			trans	-75.4	107.4	179.6	-173.5	-7.5	0	0	0	110.8	N543 T547 L548	N543-D545 PolarHBondContact O-N 2.91Å; D545-T547 PolarHBondContact O-N 3.43Å; D545-T547 VanDerWaalsContact OD1-CB 3.32Å; D545-T547 WeakPolarHBondContact OD1-CB 3.34Å; D545-T547 WeakPolarHBondContact OD1-CG2 3.47Å; D545-T547 PolarHBondContact OD1-N 3.48Å; D545-T547 PolarHBondContact OD1-OG1 3.04Å; D545-T547 PolarHBondContact OD2-OG1 2.89Å; D545-L548 HydrophobicContact CB-CD1 4.22Å; D545-L548 HydrophobicContact CB-CG 4.2Å; D545-L548 PolarHBondContact O-N 3.37Å; D545-L548 VanDerWaalsContact O-N 3.15Å
546	S	87	Confident	90.4	Very high	71 Å²	71	66.2 Å²	66.2	50%	0.497	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-64.4	-16.4	179	66.9	0	0	0	0	114.2	L544 L548 I549	L544-S546 PolarHBondContact O-N 3.25Å; S546-L548 PolarHBondContact O-N 3.29Å; S546-I549 PolarHBondContact O-N 2.99Å
547	T	90.3	Very high	90.5	Very high	111 Å²	111	59.1 Å²	59.1	68%	0.681	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-71.4	-18.5	176	70.2	0	0	0	0	112.6	D545 I549	D545-T547 PolarHBondContact O-N 3.43Å; D545-T547 VanDerWaalsContact OD1-CB 3.32Å; D545-T547 WeakPolarHBondContact OD1-CB 3.34Å; D545-T547 WeakPolarHBondContact OD1-CG2 3.47Å; D545-T547 PolarHBondContact OD1-N 3.48Å; D545-T547 PolarHBondContact OD1-OG1 3.04Å; D545-T547 PolarHBondContact OD2-OG1 2.89Å; T547-I549 VanDerWaalsContact C-N 3.32Å
548	L	93.9	Very high	90.5	Very high	41 Å²	41	56.9 Å²	56.9	22%	0.215	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-83.1	-6.3	176.5	-62.4	-178.8	0	0	0	113.5	G525 A526 D545 S546	G525-L548 CarbonylContact C-O 3.54Å; G525-L548 WeakPolarHBondContact CA-O 3.01Å; A526-L548 HydrophobicContact CB-CB 4.24Å; A526-L548 HydrophobicContact CB-CD1 4.27Å; A526-L548 PolarHBondContact N-O 3.3Å; A526-L548 WeakPolarHBondContact O-CB 3.47Å; D545-L548 HydrophobicContact CB-CD1 4.22Å; D545-L548 HydrophobicContact CB-CG 4.2Å; D545-L548 PolarHBondContact O-N 3.37Å; D545-L548 VanDerWaalsContact O-N 3.15Å; S546-L548 PolarHBondContact O-N 3.29Å
549	I	94	Very high	90.6	Very high	22 Å²	22	54.1 Å²	54.1	11%	0.113	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	-74.6	130.6	173.7	-62.7	173.4	0	0	0	109	S546 T547 G551 Y589 F590 K593	S546-I549 PolarHBondContact O-N 2.99Å; T547-I549 VanDerWaalsContact C-N 3.32Å; I549-G551 PolarHBondContact O-N 2.86Å; I549-Y589 HydrophobicContact CD1-CE1 4.44Å; I549-Y589 HydrophobicContact CG1-CE1 3.82Å; I549-F590 HydrophobicContact CD1-CD1 4.34Å; I549-F590 HydrophobicContact CD1-CE1 4.49Å; I549-F590 HydrophobicContact CG1-CE1 4.42Å; I549-F590 HydrophobicContact CG2-CE1 4.01Å; I549-K593 HydrophobicContact CD1-CG 3.98Å
550	V	95.3	Very high	90.9	Very high	59 Å²	59	53.3 Å²	53.3	36%	0.358	30%	0.295	S	S	.	.			trans	-81.6	100.6	-177.4	-179.6	0	0	0	0	110.1	V524 D552 L553	V524-V550 PolarHBondContact O-N 3.06Å; V550-D552 PolarHBondContact O-N 2.8Å; V550-L553 HydrophobicContact CB-CD1 4.07Å; V550-L553 HydrophobicContact CG1-CD1 3.82Å; V550-L553 HydrophobicContact CG1-CG 4.48Å; V550-L553 WeakPolarHBondContact O-CB 3.42Å; V550-L553 WeakPolarHBondContact O-CG 3.41Å; V550-L553 PolarHBondContact O-N 3.03Å
551	G	92.4	Very high	91.2	Very high	59 Å²	59	51.8 Å²	51.8	61%	0.608	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	-134.9	174.4	0	0	0	0	0	113.1	I549	I549-G551 PolarHBondContact O-N 2.86Å
552	D	92.7	Very high	91.8	Very high	105 Å²	105	50.8 Å²	50.8	56%	0.561	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	18.8	179.3	-72.6	-39.7	0	0	0	114.1	V550 W554 R555	V550-D552 PolarHBondContact O-N 2.8Å; D552-W554 PolarHBondContact O-N 3.14Å; D552-W554 VanDerWaalsContact O-N 3.15Å; D552-W554 PolarHBondContact OD1-NE1 3.41Å; D552-R555 WeakPolarHBondContact O-CB 3.46Å; D552-R555 PolarHBondContact O-N 2.97Å
553	L	94.6	Very high	92.5	Very high	33 Å²	33	48.7 Å²	48.7	17%	0.173	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-62.6	-23.1	-178.4	-65.2	-174.8	0	0	0	113.3	V522 V524 V550 R555 R556 F557	V522-L553 HydrophobicContact CG2-CD1 4.29Å; V524-L553 HydrophobicContact CB-CB 4.43Å; V524-L553 HydrophobicContact CG1-CB 4.2Å; V524-L553 HydrophobicContact CG1-CD1 4.23Å; V550-L553 HydrophobicContact CB-CD1 4.07Å; V550-L553 HydrophobicContact CG1-CD1 3.82Å; V550-L553 HydrophobicContact CG1-CG 4.48Å; V550-L553 WeakPolarHBondContact O-CB 3.42Å; V550-L553 WeakPolarHBondContact O-CG 3.41Å; V550-L553 PolarHBondContact O-N 3.03Å; L553-R555 PolarHBondContact O-N 3.04Å; L553-R555 VanDerWaalsContact O-N 3.12Å; L553-R556 PolarHBondContact O-N 3.42Å; L553-F557 HydrophobicContact CB-CD2 4.13Å; L553-F557 HydrophobicContact CD2-CE2 4.16Å; L553-F557 WeakPolarHBondContact O-CD2 3.32Å; L553-F557 PolarHBondContact O-N 3.39Å; L553-F557 VanDerWaalsContact O-N 3.07Å
554	W	93.4	Very high	93.1	Very high	11 Å²	11	42.1 Å²	42.1	4%	0.042	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-57.3	-22.1	171.8	63.3	-93.8	0	0	0	113.5	D552 R556 F590 K593 W594 A597 F598	D552-W554 PolarHBondContact O-N 3.14Å; D552-W554 VanDerWaalsContact O-N 3.15Å; D552-W554 PolarHBondContact OD1-NE1 3.41Å; W554-R556 VanDerWaalsContact C-N 3.34Å; W554-F590 HydrophobicContact CB-CB 4.41Å; W554-F590 HydrophobicContact CB-CD1 3.43Å; W554-F590 VanDerWaalsContact CB-CD1 3.43Å; W554-F590 HydrophobicContact CB-CD2 4.22Å; W554-F590 HydrophobicContact CB-CE1 3.58Å; W554-F590 HydrophobicContact CB-CE2 4.34Å; W554-F590 HydrophobicContact CB-CG 3.78Å; W554-F590 HydrophobicContact CB-CZ 4.05Å; W554-K593 HydrophobicContact CD2-CB 3.73Å; W554-K593 HydrophobicContact CD2-CG 4.32Å; W554-K593 HydrophobicContact CE3-CB 3.85Å; W554-K593 HydrophobicContact CG-CB 4.02Å; W554-K593 HydrophobicContact CG-CG 4.23Å; W554-K593 HydrophobicContact CZ3-CB 4.38Å; W554-W594 AromaticContact CE3-CD1 3.52Å; W554-W594 AromaticContact CE3-NE1 3.75Å; W554-W594 AromaticContact CZ3-CD1 3.8Å; W554-W594 PolarHBondContact O-NE1 3.2Å; W554-A597 HydrophobicContact CH2-CB 3.47Å; W554-A597 VanDerWaalsContact CH2-CB 3.47Å; W554-A597 HydrophobicContact CZ3-CB 3.7Å; W554-F598 HydrophobicContact CZ3-CE2 4.41Å
555	R	92.8	Very high	93.4	Very high	137 Å²	137	43.3 Å²	43.3	52%	0.517	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-75.3	-23	173.9	-64.3	-179.6	-178.6	-92.5	1.4	113.1	D552 L553	D552-R555 WeakPolarHBondContact O-CB 3.46Å; D552-R555 PolarHBondContact O-N 2.97Å; L553-R555 PolarHBondContact O-N 3.04Å; L553-R555 VanDerWaalsContact O-N 3.12Å
556	R	91.1	Very high	93.5	Very high	108 Å²	108	40.2 Å²	40.2	41%	0.408	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.2	-23.2	-168.7	-64.1	174.7	67	-146.2	-4.7	113.7	E520 L553 W554	E520-R556 IonicContact OE1-CZ 3.02Å; E520-R556 IonicContact OE1-NH2 3.94Å; E520-R556 PolarHBondContact OE1-NH2 3.17Å; E520-R556 IonicContact OE2-CZ 2.82Å; E520-R556 IonicContact OE2-NH1 3.59Å; E520-R556 IonicContact OE2-NH2 2.8Å; E520-R556 PolarHBondContact OE2-NH2 2.86Å; L553-R556 PolarHBondContact O-N 3.42Å; W554-R556 VanDerWaalsContact C-N 3.34Å
557	F	95	Very high	93.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.2	C	C	.	.			trans	-120.1	128.5	-174.9	-68.5	-87.5	0	0	0	111.2	G511 R513 E520 V522 V524 L553 F590	G511-F557 VanDerWaalsContact C-CE1 3.46Å; G511-F557 VanDerWaalsContact O-CE1 3.28Å; G511-F557 WeakPolarHBondContact O-CE1 3.22Å; R513-F557 HydrophobicContact CB-CD1 4.01Å; R513-F557 HydrophobicContact CB-CE1 3.82Å; R513-F557 VanDerWaalsContact CD-CZ 3.48Å; R513-F557 HydrophobicContact CG-CD1 4.05Å; R513-F557 HydrophobicContact CG-CE1 3.4Å; R513-F557 VanDerWaalsContact CG-CE1 3.4Å; R513-F557 HydrophobicContact CG-CZ 3.67Å; E520-F557 HydrophobicContact CB-CE1 4.34Å; E520-F557 HydrophobicContact CB-CZ 4.02Å; V522-F557 HydrophobicContact CG2-CE1 4.14Å; V522-F557 HydrophobicContact CG2-CE2 3.74Å; V522-F557 HydrophobicContact CG2-CZ 3.43Å; V522-F557 VanDerWaalsContact CG2-CZ 3.43Å; V524-F557 HydrophobicContact CG1-CB 4.01Å; V524-F557 HydrophobicContact CG1-CD1 4.31Å; V524-F557 HydrophobicContact CG1-CD2 3.69Å; V524-F557 HydrophobicContact CG1-CE2 4.23Å; V524-F557 HydrophobicContact CG1-CG 3.75Å; L553-F557 HydrophobicContact CB-CD2 4.13Å; L553-F557 HydrophobicContact CD2-CE2 4.16Å; L553-F557 WeakPolarHBondContact O-CD2 3.32Å; L553-F557 PolarHBondContact O-N 3.39Å; L553-F557 VanDerWaalsContact O-N 3.07Å; F557-F590 WeakPolarHBondContact O-CD2 3.33Å; F557-F590 WeakPolarHBondContact O-CE2 3.39Å
558	W	94	Very high	93.2	Very high	24 Å²	24	34.4 Å²	34.4	9%	0.091	19%	0.186	C	C	.	.	S	Bend	trans	-109.8	-10.4	-179.4	-55.4	-27.1	0	0	0	113.2	F586 W594 L606 W610 L739 L743	W558-F586 PolarHBondContact O-N 3.36Å; W558-W594 AromaticContact CD1-CZ2 3.72Å; W558-L606 HydrophobicContact CZ2-CD2 4.01Å; W558-W610 HydrophobicContact CH2-CB 4.12Å; W558-W610 HydrophobicContact CZ3-CB 4.09Å; W558-L739 HydrophobicContact CB-CD1 4.4Å; W558-L743 HydrophobicContact CD2-CD1 3.91Å; W558-L743 HydrophobicContact CD2-CD2 4.32Å; W558-L743 HydrophobicContact CE3-CD1 3.19Å; W558-L743 HydrophobicContact CE3-CD2 4.39Å; W558-L743 HydrophobicContact CE3-CG 4.39Å; W558-L743 HydrophobicContact CH2-CD1 4.31Å; W558-L743 HydrophobicContact CZ3-CD1 3.41Å; W558-L743 VanDerWaalsContact CZ3-CD1 3.41Å
559	G	95.3	Very high	92.1	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.8	177.2	178.4	0	0	0	0	0	112.2	G511 Y512 V584 F586	G511-G559 WeakPolarHBondContact CA-O 3.38Å; Y512-G559 PolarHBondContact N-O 3.4Å; G559-V584 CarbonylContact C-O 3.11Å; G559-V584 WeakPolarHBondContact CA-O 3.44Å; G559-F586 VanDerWaalsContact C-CE2 3.46Å; G559-F586 VanDerWaalsContact CA-CD2 3.5Å
560	G	95.9	Very high	91	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.6	-119.2	176.4	0	0	0	0	0	110.7	W510 P583 V584	W510-G560 CarbonylContact O-C 3.52Å; W510-G560 WeakPolarHBondContact O-CA 3.38Å; G560-P583 CarbonylContact O-C 3.59Å; G560-P583 VanDerWaalsContact O-CA 3.22Å; G560-P583 WeakPolarHBondContact O-CA 3.44Å; G560-V584 PolarHBondContact N-O 3.04Å; G560-V584 PolarHBondContact O-N 3.36Å
561	S	95.2	Very high	89.7	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	167.9	172.3	69.9	0	0	0	0	113.3	W510 Y521 W580	W510-S561 PolarHBondContact N-O 3.17Å; W510-S561 PolarHBondContact O-N 2.93Å; Y521-S561 PolarHBondContact OH-OG 2.58Å; S561-W580 VanDerWaalsContact OG-CE3 3.28Å
562	I	95.6	Very high	88.5	Confident	0 Å²	0	47 Å²	47	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	131	169.4	-60.8	165.5	0	0	0	108.7	V462 L464 I490 V508 L509 S581 V584	V462-I562 HydrophobicContact CG1-CG2 4.24Å; L464-I562 HydrophobicContact CB-CD1 4.21Å; L464-I562 HydrophobicContact CD1-CD1 4.18Å; L464-I562 HydrophobicContact CD2-CD1 3.94Å; L464-I562 HydrophobicContact CG-CD1 4.35Å; I490-I562 HydrophobicContact CD1-CD1 4.22Å; I490-I562 HydrophobicContact CD1-CG2 4.19Å; I490-I562 HydrophobicContact CG1-CD1 4.42Å; V508-I562 WeakPolarHBondContact O-CA 3.41Å; L509-I562 HydrophobicContact CD2-CG1 3.63Å; I562-S581 PolarHBondContact N-OG 3.29Å; I562-S581 PolarHBondContact O-N 3.12Å; I562-S581 PolarHBondContact O-OG 3.15Å; I562-V584 HydrophobicContact CD1-CG2 4.3Å; I562-V584 HydrophobicContact CG1-CG2 4.5Å
563	Q	95	Very high	87.6	Confident	3 Å²	3	42.3 Å²	42.3	1%	0.014	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	128.1	172.1	-171.2	-173.4	55.6	0	0	109.1	V508 W510 R565 V578 M579 W580	V508-Q563 HydrophobicContact CB-CB 4.26Å; V508-Q563 PolarHBondContact N-O 3.22Å; V508-Q563 PolarHBondContact O-N 3.37Å; W510-Q563 VanDerWaalsContact NE1-CD 3.3Å; Q563-R565 HydrophobicContact CG-CB 4.42Å; Q563-V578 HydrophobicContact CG-CG1 3.58Å; Q563-M579 WeakPolarHBondContact CA-O 3.47Å; Q563-W580 HydrophobicContact CB-CE3 3.86Å; Q563-W580 HydrophobicContact CB-CH2 4.07Å; Q563-W580 HydrophobicContact CB-CZ3 3.58Å; Q563-W580 HydrophobicContact CG-CD2 4.39Å; Q563-W580 HydrophobicContact CG-CE3 4.09Å; Q563-W580 HydrophobicContact CG-CH2 3.84Å; Q563-W580 HydrophobicContact CG-CZ2 4.11Å; Q563-W580 HydrophobicContact CG-CZ3 3.83Å
564	V	95.3	Very high	86.4	Confident	0 Å²	0	48 Å²	48	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	118.3	163.7	-172	0	0	0	0	106.7	V462 I490 W492 I497 I505 D506 L507 V578 M579	V462-V564 HydrophobicContact CB-CG2 4.32Å; V462-V564 HydrophobicContact CG1-CG2 3.76Å; V462-V564 HydrophobicContact CG2-CB 4.19Å; V462-V564 HydrophobicContact CG2-CG2 3.55Å; I490-V564 HydrophobicContact CG2-CG2 4.39Å; W492-V564 HydrophobicContact CB-CG2 4.44Å; W492-V564 HydrophobicContact CD2-CG1 4.05Å; W492-V564 HydrophobicContact CE3-CG2 4.44Å; W492-V564 HydrophobicContact CG-CG1 4.07Å; I497-V564 HydrophobicContact CD1-CB 4.06Å; I497-V564 HydrophobicContact CD1-CG1 3.41Å; I497-V564 VanDerWaalsContact CD1-CG1 3.41Å; I505-V564 HydrophobicContact CD1-CG1 3.79Å; D506-V564 WeakPolarHBondContact O-CA 3.4Å; L507-V564 HydrophobicContact CD2-CB 4.25Å; L507-V564 HydrophobicContact CD2-CG1 3.93Å; L507-V564 HydrophobicContact CD2-CG2 3.68Å; V564-V578 WeakPolarHBondContact O-CA 3.39Å; V564-M579 PolarHBondContact N-O 3.03Å; V564-M579 PolarHBondContact O-N 3.47Å
565	R	93.1	Very high	85.7	Confident	47 Å²	47	47.9 Å²	47.9	18%	0.177	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	154.4	179.3	70.4	173.8	-178.7	-142.6	0.3	112.1	I505 D506 E523 Q563 Y577 V578	I505-R565 CarbonylContact C-O 3.54Å; I505-R565 WeakPolarHBondContact CA-O 3.09Å; I505-R565 WeakPolarHBondContact CB-O 3.49Å; D506-R565 HydrophobicContact CB-CG 3.9Å; D506-R565 PolarHBondContact N-O 3.07Å; D506-R565 PolarHBondContact O-N 2.97Å; D506-R565 IonicContact OD2-NE 3.63Å; D506-R565 PolarHBondContact OD2-NE 2.72Å; D506-R565 IonicContact OD2-NH2 3.68Å; E523-R565 IonicContact OE1-NH2 3.38Å; E523-R565 IonicContact OE2-CZ 3.95Å; E523-R565 IonicContact OE2-NH1 3.08Å; E523-R565 PolarHBondContact OE2-NH1 3.42Å; E523-R565 IonicContact OE2-NH2 2.82Å; E523-R565 PolarHBondContact OE2-NH2 2.82Å; Q563-R565 HydrophobicContact CG-CB 4.42Å; R565-Y577 VanDerWaalsContact CA-O 3.3Å; R565-Y577 WeakPolarHBondContact CA-O 3.3Å; R565-V578 HydrophobicContact CB-CG2 3.98Å
566	V	91.7	Very high	85.1	Confident	14 Å²	14	43.1 Å²	43.1	9%	0.085	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	133.8	170.4	-178.6	0	0	0	0	109.7	I497 K504 G568 Y577	I497-V566 HydrophobicContact CG1-CG2 4.04Å; K504-V566 WeakPolarHBondContact O-CA 3.34Å; V566-G568 PolarHBondContact O-N 2.88Å; V566-Y577 HydrophobicContact CB-CD2 3.95Å; V566-Y577 HydrophobicContact CB-CE2 3.79Å; V566-Y577 HydrophobicContact CG1-CE2 4.41Å; V566-Y577 HydrophobicContact CG2-CD2 4.12Å; V566-Y577 HydrophobicContact CG2-CE2 4.46Å; V566-Y577 PolarHBondContact N-O 3.3Å; V566-Y577 VanDerWaalsContact N-O 3.13Å
567	S	88.9	Confident	84.8	Confident	22 Å²	22	38.7 Å²	38.7	15%	0.154	19%	0.186	C	C	.	.	S	Bend	trans	-75.2	19.8	-170.8	-49.6	0	0	0	0	115.5	K504 I505 D506 Q530	K504-S567 PolarHBondContact O-N 2.57Å; K504-S567 PolarHBondContact O-OG 2.82Å; I505-S567 WeakPolarHBondContact CA-OG 3.3Å; I505-S567 PolarHBondContact N-OG 3.05Å; I505-S567 VanDerWaalsContact N-OG 3.17Å; I505-S567 PolarHBondContact O-OG 3.42Å; I505-S567 VanDerWaalsContact O-OG 3.12Å; D506-S567 VanDerWaalsContact CG-OG 3.26Å; D506-S567 PolarHBondContact N-OG 3.37Å; D506-S567 VanDerWaalsContact OD1-CB 3.29Å; D506-S567 WeakPolarHBondContact OD1-CB 3.27Å; D506-S567 PolarHBondContact OD1-OG 3.03Å; Q530-S567 VanDerWaalsContact CD-CB 3.43Å; Q530-S567 PolarHBondContact NE2-O 2.82Å
568	G	81.3	Confident	84.5	Confident	37 Å²	37	39 Å²	39	38%	0.381	19%	0.188	S	C	.	.	S	Bend	trans	-174.3	175.4	-177.4	0	0	0	0	0	110.4	V566 Y577	V566-G568 PolarHBondContact O-N 2.88Å; G568-Y577 WeakPolarHBondContact O-CE2 3.46Å; G568-Y577 PolarHBondContact O-OH 2.74Å
569	Y	70.7	Confident	84.4	Confident	163 Å²	163	38 Å²	38	64%	0.639	19%	0.185	S	C	*	.			trans	-107.5	121.1	175.4	-79.3	-86.1	0	0	0	109.9	I421 Y577	I421-Y569 HydrophobicContact CD1-CE1 4.18Å; Y569-Y577 HydrophobicContact CD1-CE1 4.18Å; Y569-Y577 HydrophobicContact CD1-CE2 4.11Å; Y569-Y577 AromaticContact CD1-CZ 3.62Å; Y569-Y577 WeakPolarHBondContact CD1-OH 3.49Å; Y569-Y577 WeakPolarHBondContact CD2-OH 3.38Å; Y569-Y577 HydrophobicContact CE1-CD1 4.43Å; Y569-Y577 AromaticContact CE1-CE1 3.49Å; Y569-Y577 HydrophobicContact CE1-CE1 3.49Å; Y569-Y577 VanDerWaalsContact CE1-CE1 3.49Å; Y569-Y577 HydrophobicContact CE1-CE2 4.24Å; Y569-Y577 AromaticContact CE1-CZ 3.39Å; Y569-Y577 VanDerWaalsContact CE1-OH 3.25Å; Y569-Y577 WeakPolarHBondContact CE1-OH 3.01Å; Y569-Y577 VanDerWaalsContact CE2-OH 3.24Å; Y569-Y577 WeakPolarHBondContact CE2-OH 3.18Å; Y569-Y577 AromaticContact CZ-CE1 3.67Å; Y569-Y577 AromaticContact CZ-CZ 3.69Å
570	D	71.8	Confident	84.3	Confident	71 Å²	71	39 Å²	39	38%	0.38	19%	0.188	S	C	.	.			trans	-132.7	108.7	170.6	-171.1	-23.8	0	0	0	109.1	K500 S572 D573	K500-D570 WeakPolarHBondContact CE-OD2 3.34Å; K500-D570 IonicContact NZ-OD1 3.46Å; K500-D570 IonicContact NZ-OD2 3.95Å; K500-D570 PolarHBondContact NZ-OD2 3.17Å; D570-S572 PolarHBondContact O-N 3.08Å; D570-S572 WeakPolarHBondContact OD1-CB 3.25Å; D570-S572 PolarHBondContact OD1-N 2.83Å; D570-S572 PolarHBondContact OD1-OG 2.97Å; D570-S572 PolarHBondContact OD2-OG 2.96Å; D570-D573 WeakPolarHBondContact O-CB 3.43Å; D570-D573 PolarHBondContact O-N 3.49Å; D570-D573 VanDerWaalsContact O-N 3.16Å
571	W	67.5	Low	84.2	Confident	134 Å²	134	39.3 Å²	39.3	51%	0.508	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-15.4	-177.2	-61.5	114.2	0	0	0	113.7	S411 I421	S411-W571 VanDerWaalsContact CB-CE3 3.49Å; S411-W571 WeakPolarHBondContact OG-CH2 3.29Å; S411-W571 WeakPolarHBondContact OG-CZ3 3.3Å; I421-W571 HydrophobicContact CD1-CZ3 4.01Å
572	S	68.8	Low	83.9	Confident	77 Å²	77	42.9 Å²	42.9	54%	0.538	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-14.9	174.8	68.7	0	0	0	0	113.3	K500 D570	K500-S572 VanDerWaalsContact CE-OG 3.26Å; K500-S572 WeakPolarHBondContact CE-OG 3.39Å; K500-S572 PolarHBondContact NZ-OG 3.2Å; D570-S572 PolarHBondContact O-N 3.08Å; D570-S572 WeakPolarHBondContact OD1-CB 3.25Å; D570-S572 PolarHBondContact OD1-N 2.83Å; D570-S572 PolarHBondContact OD1-OG 2.97Å; D570-S572 PolarHBondContact OD2-OG 2.96Å
573	D	72.2	Confident	83.8	Confident	7 Å²	7	43.8 Å²	43.8	4%	0.037	21%	0.213	C	C	.	.			trans	-72	140.4	171	-169.7	-7.9	0	0	0	109.5	R419 S498 S499 D570 G575	R419-D573 VanDerWaalsContact NH1-C 3.29Å; R419-D573 PolarHBondContact NH1-O 3.08Å; S498-D573 WeakPolarHBondContact CA-OD2 3.35Å; S498-D573 WeakPolarHBondContact CB-OD2 3.49Å; S498-D573 VanDerWaalsContact OG-CG 3.3Å; S498-D573 PolarHBondContact OG-OD2 2.96Å; S499-D573 WeakPolarHBondContact CB-OD1 3.41Å; S499-D573 PolarHBondContact N-OD1 3.44Å; S499-D573 PolarHBondContact OG-OD1 3.47Å; D570-D573 WeakPolarHBondContact O-CB 3.43Å; D570-D573 PolarHBondContact O-N 3.49Å; D570-D573 VanDerWaalsContact O-N 3.16Å; D573-G575 PolarHBondContact OD1-N 2.99Å
574	Y	70	Confident	83.7	Confident	154 Å²	154	43.7 Å²	43.7	60%	0.604	21%	0.213	S	C	*	.			trans	-115.7	12.7	177.7	54.1	-92.7	0	0	0	114.2	R419 S499	R419-Y574 VanDerWaalsContact NH1-CA 3.34Å; S499-Y574 VanDerWaalsContact OG-CD1 3.31Å; S499-Y574 WeakPolarHBondContact OG-CD1 3.47Å; S499-Y574 VanDerWaalsContact OG-CE1 3.32Å; S499-Y574 WeakPolarHBondContact OG-CE1 3.1Å; S499-Y574 PolarHBondContact OG-N 2.88Å
575	G	78.5	Confident	83.6	Confident	7 Å²	7	43.7 Å²	43.7	7%	0.072	21%	0.213	C	C	.	.	S	Bend	trans	-73	177.8	174.1	0	0	0	0	0	114.8	S385 R419 N496 I497 D573 Y577	S385-G575 PolarHBondContact OG-O 2.95Å; R419-G575 PolarHBondContact NH1-O 3.48Å; R419-G575 PolarHBondContact NH2-O 2.89Å; N496-G575 CarbonylContact O-C 3.58Å; N496-G575 WeakPolarHBondContact O-CA 3.08Å; I497-G575 CarbonylContact O-C 3.53Å; I497-G575 WeakPolarHBondContact O-CA 3.05Å; D573-G575 PolarHBondContact OD1-N 2.99Å; G575-Y577 PolarHBondContact O-N 2.8Å
576	H	79.6	Confident	83.7	Confident	37 Å²	37	41.5 Å²	41.5	17%	0.171	21%	0.205	C	C	.	.			trans	-65.1	-19.5	-178.5	-82.1	-103.6	0	0	0	114.5	N384 S385 N496 I497 V578 M579	N384-H576 WeakPolarHBondContact CA-O 3.45Å; S385-H576 PolarHBondContact N-O 2.91Å; S385-H576 WeakPolarHBondContact OG-CA 3.45Å; S385-H576 PolarHBondContact OG-O 2.82Å; N496-H576 PolarHBondContact O-CD2 2.83Å; N496-H576 VanDerWaalsContact O-CD2 3.23Å; N496-H576 PolarHBondContact O-N 3.4Å; I497-H576 PolarHBondContact O-N 2.95Å; H576-V578 PolarHBondContact O-N 2.96Å; H576-M579 HydrophobicContact CB-CE 4.05Å
577	Y	84.9	Confident	83.6	Confident	15 Å²	15	40.8 Å²	40.8	6%	0.059	20%	0.201	C	C	.	.	S	Bend	trans	68.6	-53.4	-173.5	-156.6	-116.9	0	0	0	115.2	I421 I497 R565 V566 G568 Y569 G575	I421-Y577 HydrophobicContact CD1-CD1 4.17Å; I421-Y577 HydrophobicContact CD1-CG 4.27Å; I421-Y577 HydrophobicContact CG2-CD1 4.48Å; I497-Y577 PolarHBondContact O-N 3.15Å; I497-Y577 VanDerWaalsContact O-N 3.11Å; R565-Y577 VanDerWaalsContact CA-O 3.3Å; R565-Y577 WeakPolarHBondContact CA-O 3.3Å; V566-Y577 HydrophobicContact CB-CD2 3.95Å; V566-Y577 HydrophobicContact CB-CE2 3.79Å; V566-Y577 HydrophobicContact CG1-CE2 4.41Å; V566-Y577 HydrophobicContact CG2-CD2 4.12Å; V566-Y577 HydrophobicContact CG2-CE2 4.46Å; V566-Y577 PolarHBondContact N-O 3.3Å; V566-Y577 VanDerWaalsContact N-O 3.13Å; G568-Y577 WeakPolarHBondContact O-CE2 3.46Å; G568-Y577 PolarHBondContact O-OH 2.74Å; Y569-Y577 HydrophobicContact CD1-CE1 4.18Å; Y569-Y577 HydrophobicContact CD1-CE2 4.11Å; Y569-Y577 AromaticContact CD1-CZ 3.62Å; Y569-Y577 WeakPolarHBondContact CD1-OH 3.49Å; Y569-Y577 WeakPolarHBondContact CD2-OH 3.38Å; Y569-Y577 HydrophobicContact CE1-CD1 4.43Å; Y569-Y577 AromaticContact CE1-CE1 3.49Å; Y569-Y577 HydrophobicContact CE1-CE1 3.49Å; Y569-Y577 VanDerWaalsContact CE1-CE1 3.49Å; Y569-Y577 HydrophobicContact CE1-CE2 4.24Å; Y569-Y577 AromaticContact CE1-CZ 3.39Å; Y569-Y577 VanDerWaalsContact CE1-OH 3.25Å; Y569-Y577 WeakPolarHBondContact CE1-OH 3.01Å; Y569-Y577 VanDerWaalsContact CE2-OH 3.24Å; Y569-Y577 WeakPolarHBondContact CE2-OH 3.18Å; Y569-Y577 AromaticContact CZ-CE1 3.67Å; Y569-Y577 AromaticContact CZ-CZ 3.69Å; G575-Y577 PolarHBondContact O-N 2.8Å
578	V	90	Very high	83.6	Confident	6 Å²	6	39.9 Å²	39.9	4%	0.036	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	137.3	-178.5	177	0	0	0	0	109.7	G383 Q563 V564 R565 H576 W580	G383-V578 VanDerWaalsContact O-CB 3.28Å; G383-V578 WeakPolarHBondContact O-CB 3.42Å; G383-V578 VanDerWaalsContact O-CG2 3.22Å; G383-V578 WeakPolarHBondContact O-CG2 3.38Å; Q563-V578 HydrophobicContact CG-CG1 3.58Å; V564-V578 WeakPolarHBondContact O-CA 3.39Å; R565-V578 HydrophobicContact CB-CG2 3.98Å; H576-V578 PolarHBondContact O-N 2.96Å; V578-W580 HydrophobicContact CG1-CD2 4.29Å; V578-W580 HydrophobicContact CG1-CZ2 3.88Å
579	M	91.9	Very high	84.2	Confident	4 Å²	4	38.8 Å²	38.8	2%	0.02	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	146.9	168.3	-64.7	-178.6	-178.7	0	0	109.7	M461 V462 W492 N496 I497 Q563 V564 H576	M461-M579 HydrophobicContact CB-CB 3.84Å; M461-M579 HydrophobicContact CB-CG 4.05Å; M461-M579 HydrophobicContact CB-SD 4.11Å; M461-M579 HydrophobicContact SD-CB 4.39Å; M461-M579 HydrophobicContact SD-CG 4.02Å; V462-M579 HydrophobicContact CG2-CB 3.6Å; W492-M579 HydrophobicContact CB-SD 4.28Å; N496-M579 VanDerWaalsContact C-CE 3.46Å; N496-M579 HydrophobicContact CB-CE 3.3Å; I497-M579 HydrophobicContact CB-CE 3.76Å; I497-M579 HydrophobicContact CB-SD 4.25Å; Q563-M579 WeakPolarHBondContact CA-O 3.47Å; V564-M579 PolarHBondContact N-O 3.03Å; V564-M579 PolarHBondContact O-N 3.47Å; H576-M579 HydrophobicContact CB-CE 4.05Å
580	W	92.6	Very high	85.2	Confident	20 Å²	20	31 Å²	31	8%	0.076	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	147.3	-177.6	-62.7	100.5	0	0	0	111.2	I381 G382 L424 V462 W510 Y521 S561 Q563 V578	I381-W580 HydrophobicContact CD1-CD2 4.45Å; I381-W580 HydrophobicContact CG2-CD2 4.32Å; I381-W580 HydrophobicContact CG2-CH2 3.91Å; I381-W580 HydrophobicContact CG2-CZ2 3.55Å; I381-W580 HydrophobicContact CG2-CZ3 4.44Å; G382-W580 PolarHBondContact O-NE1 2.89Å; L424-W580 HydrophobicContact CD2-CH2 4.25Å; L424-W580 HydrophobicContact CD2-CZ2 3.53Å; V462-W580 PolarHBondContact N-O 2.97Å; W510-W580 HydrophobicContact CB-CZ3 4.12Å; W510-W580 AromaticContact CD1-CH2 3.93Å; W510-W580 AromaticContact CD1-CZ3 3.65Å; W510-W580 AromaticContact CD2-CH2 3.97Å; W510-W580 HydrophobicContact CD2-CH2 3.97Å; W510-W580 HydrophobicContact CD2-CZ3 4.23Å; W510-W580 AromaticContact CE2-CH2 3.99Å; W510-W580 AromaticContact CG-CH2 3.96Å; W510-W580 HydrophobicContact CG-CH2 3.96Å; W510-W580 AromaticContact CG-CZ3 3.72Å; W510-W580 HydrophobicContact CG-CZ3 3.72Å; W510-W580 AromaticContact NE1-CH2 3.92Å; Y521-W580 HydrophobicContact CE1-CH2 4.09Å; Y521-W580 HydrophobicContact CE1-CZ3 4.14Å; Y521-W580 WeakPolarHBondContact OH-CZ3 3.39Å; S561-W580 VanDerWaalsContact OG-CE3 3.28Å; Q563-W580 HydrophobicContact CB-CE3 3.86Å; Q563-W580 HydrophobicContact CB-CH2 4.07Å; Q563-W580 HydrophobicContact CB-CZ3 3.58Å; Q563-W580 HydrophobicContact CG-CD2 4.39Å; Q563-W580 HydrophobicContact CG-CE3 4.09Å; Q563-W580 HydrophobicContact CG-CH2 3.84Å; Q563-W580 HydrophobicContact CG-CZ2 4.11Å; Q563-W580 HydrophobicContact CG-CZ3 3.83Å; V578-W580 HydrophobicContact CG1-CD2 4.29Å; V578-W580 HydrophobicContact CG1-CZ2 3.88Å
581	S	93	Very high	86.1	Confident	8 Å²	8	30 Å²	30	6%	0.056	14%	0.138	C	C	.	.	B	Isolated β-bridge	trans	-82.8	171.1	163.5	74.5	0	0	0	0	110.9	I562	I562-S581 PolarHBondContact N-OG 3.29Å; I562-S581 PolarHBondContact O-N 3.12Å; I562-S581 PolarHBondContact O-OG 3.15Å
582	E	90.2	Very high	87.1	Confident	75 Å²	75	29.3 Å²	29.3	35%	0.35	14%	0.136	S	C	.	.	S	Bend	trans	-62.8	171.7	159.7	-65	-176.2	153.9	0	0	110.9	T460 V584	T460-E582 VanDerWaalsContact CG2-CD 3.4Å; T460-E582 HydrophobicContact CG2-CG 3.68Å; T460-E582 WeakPolarHBondContact CG2-OE1 3.5Å; E582-V584 WeakPolarHBondContact O-CG2 3.39Å; E582-V584 PolarHBondContact O-N 2.71Å
583	P	92.7	Very high	88.2	Confident	18 Å²	18	28.6 Å²	28.6	12%	0.117	12%	0.123	C	C	.	.	P	Polyproline II helix	trans	-57.1	133.3	172	-24.8	35.1	0	0	0	112.5	G560 T730 W731 F734	G560-P583 CarbonylContact O-C 3.59Å; G560-P583 VanDerWaalsContact O-CA 3.22Å; G560-P583 WeakPolarHBondContact O-CA 3.44Å; P583-T730 HydrophobicContact CG-CG2 3.47Å; P583-T730 VanDerWaalsContact CG-CG2 3.47Å; P583-W731 HydrophobicContact CB-CH2 4.42Å; P583-W731 HydrophobicContact CB-CZ3 4.03Å; P583-W731 HydrophobicContact CG-CH2 4.32Å; P583-W731 HydrophobicContact CG-CZ3 4.14Å; P583-F734 HydrophobicContact CB-CB 4.4Å; P583-F734 HydrophobicContact CB-CD1 4.15Å; P583-F734 HydrophobicContact CB-CD2 3.42Å; P583-F734 VanDerWaalsContact CB-CD2 3.42Å; P583-F734 HydrophobicContact CB-CE1 4.26Å; P583-F734 HydrophobicContact CB-CE2 3.56Å; P583-F734 HydrophobicContact CB-CG 3.73Å; P583-F734 HydrophobicContact CB-CZ 3.97Å; P583-F734 HydrophobicContact CG-CD2 4.41Å; P583-F734 HydrophobicContact CG-CG 4.46Å
584	V	92.8	Very high	89.2	Confident	2 Å²	2	28.2 Å²	28.2	1%	0.012	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	127	-177	175.2	0	0	0	0	109	L464 W480 G559 G560 I562 E582 F586 W588	L464-V584 HydrophobicContact CD2-CG1 4.04Å; W480-V584 HydrophobicContact CE3-CG1 4.22Å; W480-V584 HydrophobicContact CH2-CG2 4.18Å; W480-V584 HydrophobicContact CZ3-CB 4.14Å; W480-V584 HydrophobicContact CZ3-CG1 3.91Å; W480-V584 HydrophobicContact CZ3-CG2 3.84Å; G559-V584 CarbonylContact C-O 3.11Å; G559-V584 WeakPolarHBondContact CA-O 3.44Å; G560-V584 PolarHBondContact N-O 3.04Å; G560-V584 PolarHBondContact O-N 3.36Å; I562-V584 HydrophobicContact CD1-CG2 4.3Å; I562-V584 HydrophobicContact CG1-CG2 4.5Å; E582-V584 WeakPolarHBondContact O-CG2 3.39Å; E582-V584 PolarHBondContact O-N 2.71Å; V584-F586 HydrophobicContact CB-CE1 4.23Å; V584-F586 HydrophobicContact CG1-CD1 4.2Å; V584-F586 HydrophobicContact CG1-CE1 4.17Å; V584-F586 WeakPolarHBondContact O-CE1 3.38Å; V584-W588 HydrophobicContact CG1-CZ2 4.02Å
585	P	94.3	Very high	90.3	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	145.1	171.2	39.1	-37.4	0	0	0	110	Y481 G587 W588 L739 D742 W747	Y481-P585 HydrophobicContact CD1-CG 3.68Å; Y481-P585 HydrophobicContact CE1-CG 4.4Å; P585-G587 VanDerWaalsContact C-N 3.33Å; P585-G587 PolarHBondContact O-N 3.43Å; P585-W588 PolarHBondContact O-NE1 3Å; P585-L739 HydrophobicContact CB-CD2 3.6Å; P585-D742 HydrophobicContact CB-CB 4.36Å; P585-W747 HydrophobicContact CB-CH2 3.9Å; P585-W747 HydrophobicContact CB-CZ2 3.63Å; P585-W747 HydrophobicContact CG-CZ2 4.11Å
586	F	93.8	Very high	90.9	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	14%	0.136	C	C	.	.			trans	-97.9	27.2	-169.9	-62.8	-27	0	0	0	113.6	L509 W510 V524 W558 G559 V584 W588 Y589 F590	L509-F586 HydrophobicContact CB-CE1 4.49Å; L509-F586 HydrophobicContact CB-CE2 4.44Å; L509-F586 HydrophobicContact CB-CZ 4.07Å; L509-F586 HydrophobicContact CD2-CD1 4.08Å; L509-F586 HydrophobicContact CD2-CE1 3.47Å; L509-F586 VanDerWaalsContact CD2-CE1 3.47Å; L509-F586 HydrophobicContact CD2-CZ 3.88Å; L509-F586 HydrophobicContact CG-CE1 4.48Å; W510-F586 WeakPolarHBondContact O-CZ 3.44Å; V524-F586 HydrophobicContact CG2-CD2 4.23Å; V524-F586 HydrophobicContact CG2-CE2 3.75Å; W558-F586 PolarHBondContact O-N 3.36Å; G559-F586 VanDerWaalsContact C-CE2 3.46Å; G559-F586 VanDerWaalsContact CA-CD2 3.5Å; V584-F586 HydrophobicContact CB-CE1 4.23Å; V584-F586 HydrophobicContact CG1-CD1 4.2Å; V584-F586 HydrophobicContact CG1-CE1 4.17Å; V584-F586 WeakPolarHBondContact O-CE1 3.38Å; F586-W588 PolarHBondContact O-N 2.78Å; F586-Y589 PolarHBondContact O-N 2.85Å; F586-Y589 VanDerWaalsContact O-N 3.08Å; F586-F590 HydrophobicContact CB-CD2 3.77Å; F586-F590 HydrophobicContact CB-CE2 4.03Å; F586-F590 HydrophobicContact CD2-CD2 4.42Å; F586-F590 AromaticContact CD2-CE2 3.82Å; F586-F590 HydrophobicContact CD2-CE2 3.82Å; F586-F590 HydrophobicContact CG-CE2 4.36Å; F586-F590 PolarHBondContact O-N 3.16Å
587	G	90.1	Very high	91.5	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-47.2	-55.1	175.9	0	0	0	0	0	112.7	P585 R591 W747	P585-G587 VanDerWaalsContact C-N 3.33Å; P585-G587 PolarHBondContact O-N 3.43Å; G587-R591 VanDerWaalsContact O-CB 3.3Å; G587-R591 WeakPolarHBondContact O-CB 3.24Å; G587-R591 PolarHBondContact O-N 3.28Å; G587-W747 VanDerWaalsContact CA-CH2 3.49Å; G587-W747 VanDerWaalsContact N-CH2 3.34Å; G587-W747 VanDerWaalsContact N-CZ2 3.34Å
588	W	90	Very high	91.8	Very high	3 Å²	3	33 Å²	33	1%	0.011	15%	0.154	C	C	.	.	H	α-helix	trans	-68.9	-31.1	179.3	51.3	-93.3	0	0	0	113.6	L464 W480 L488 L509 I527 F539 Q541 L544 V584 P585 F586	L464-W588 HydrophobicContact CD2-CZ2 3.98Å; W480-W588 PolarHBondContact O-NE1 3.25Å; L488-W588 HydrophobicContact CD1-CD2 3.74Å; L488-W588 HydrophobicContact CD1-CE3 3.93Å; L488-W588 HydrophobicContact CD1-CG 4.02Å; L488-W588 HydrophobicContact CD1-CZ3 4.44Å; L509-W588 HydrophobicContact CD1-CH2 4.45Å; L509-W588 HydrophobicContact CD2-CH2 4.13Å; I527-W588 HydrophobicContact CD1-CH2 4.03Å; I527-W588 HydrophobicContact CD1-CZ3 4.44Å; F539-W588 HydrophobicContact CE2-CE3 4.15Å; F539-W588 AromaticContact CE2-CZ3 3.75Å; F539-W588 HydrophobicContact CE2-CZ3 3.75Å; F539-W588 HydrophobicContact CZ-CE3 4.44Å; F539-W588 HydrophobicContact CZ-CH2 4.11Å; F539-W588 AromaticContact CZ-CZ3 3.8Å; F539-W588 HydrophobicContact CZ-CZ3 3.8Å; Q541-W588 WeakPolarHBondContact CG-O 3.41Å; Q541-W588 PolarHBondContact NE2-O 3.25Å; L544-W588 HydrophobicContact CD1-CE3 4.13Å; L544-W588 HydrophobicContact CD1-CZ3 4.24Å; V584-W588 HydrophobicContact CG1-CZ2 4.02Å; P585-W588 PolarHBondContact O-NE1 3Å; F586-W588 PolarHBondContact O-N 2.78Å
589	Y	92.3	Very high	92	Very high	14 Å²	14	34.2 Å²	34.2	6%	0.055	17%	0.168	C	C	.	.	H	α-helix	trans	-79.1	-46.3	-175.8	-171.9	-110.6	0	0	0	112.6	L509 A526 L544 I549 F586	L509-Y589 HydrophobicContact CD1-CD1 3.39Å; L509-Y589 HydrophobicContact CD1-CD2 3.37Å; L509-Y589 HydrophobicContact CD1-CE1 3.42Å; L509-Y589 VanDerWaalsContact CD1-CE1 3.42Å; L509-Y589 HydrophobicContact CD1-CE2 3.43Å; L509-Y589 VanDerWaalsContact CD1-CE2 3.43Å; L509-Y589 HydrophobicContact CD1-CG 3.37Å; L509-Y589 VanDerWaalsContact CD1-CZ 3.46Å; A526-Y589 PolarHBondContact N-OH 2.81Å; A526-Y589 PolarHBondContact O-OH 2.97Å; L544-Y589 HydrophobicContact CD1-CD2 3.76Å; L544-Y589 HydrophobicContact CD1-CE2 4.36Å; L544-Y589 HydrophobicContact CD2-CD2 4.35Å; L544-Y589 HydrophobicContact CD2-CE2 4.29Å; I549-Y589 HydrophobicContact CD1-CE1 4.44Å; I549-Y589 HydrophobicContact CG1-CE1 3.82Å; F586-Y589 PolarHBondContact O-N 2.85Å; F586-Y589 VanDerWaalsContact O-N 3.08Å
590	F	92.7	Very high	91.9	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-93.3	-5.8	-176	-67.9	-41.3	0	0	0	114.8	V524 I549 W554 F557 F586 R592 K593 W594	V524-F590 HydrophobicContact CB-CZ 4.04Å; V524-F590 HydrophobicContact CG2-CE2 4.41Å; V524-F590 HydrophobicContact CG2-CZ 3.89Å; I549-F590 HydrophobicContact CD1-CD1 4.34Å; I549-F590 HydrophobicContact CD1-CE1 4.49Å; I549-F590 HydrophobicContact CG1-CE1 4.42Å; I549-F590 HydrophobicContact CG2-CE1 4.01Å; W554-F590 HydrophobicContact CB-CB 4.41Å; W554-F590 HydrophobicContact CB-CD1 3.43Å; W554-F590 VanDerWaalsContact CB-CD1 3.43Å; W554-F590 HydrophobicContact CB-CD2 4.22Å; W554-F590 HydrophobicContact CB-CE1 3.58Å; W554-F590 HydrophobicContact CB-CE2 4.34Å; W554-F590 HydrophobicContact CB-CG 3.78Å; W554-F590 HydrophobicContact CB-CZ 4.05Å; F557-F590 WeakPolarHBondContact O-CD2 3.33Å; F557-F590 WeakPolarHBondContact O-CE2 3.39Å; F586-F590 HydrophobicContact CB-CD2 3.77Å; F586-F590 HydrophobicContact CB-CE2 4.03Å; F586-F590 HydrophobicContact CD2-CD2 4.42Å; F586-F590 AromaticContact CD2-CE2 3.82Å; F586-F590 HydrophobicContact CD2-CE2 3.82Å; F586-F590 HydrophobicContact CG-CE2 4.36Å; F586-F590 PolarHBondContact O-N 3.16Å; F590-R592 PolarHBondContact O-N 2.93Å; F590-R592 VanDerWaalsContact O-N 3.15Å; F590-K593 WeakPolarHBondContact O-CB 3.37Å; F590-K593 PolarHBondContact O-N 3.5Å; F590-W594 HydrophobicContact CB-CD2 3.83Å; F590-W594 HydrophobicContact CB-CE3 3.98Å; F590-W594 HydrophobicContact CB-CH2 3.79Å; F590-W594 HydrophobicContact CB-CZ2 3.56Å; F590-W594 HydrophobicContact CB-CZ3 4Å; F590-W594 HydrophobicContact CD2-CH2 4.12Å; F590-W594 AromaticContact CD2-CZ2 3.74Å; F590-W594 HydrophobicContact CD2-CZ2 3.74Å; F590-W594 HydrophobicContact CG-CH2 4.49Å; F590-W594 HydrophobicContact CG-CZ2 4.1Å; F590-W594 PolarHBondContact O-N 3.12Å
591	R	90	Very high	91.9	Very high	49 Å²	49	42.5 Å²	42.5	19%	0.185	22%	0.223	C	C	.	.	H	α-helix	trans	-39.2	-57.3	-179.7	-177	178.7	176	171	4.5	114.1	E484 Q541 G587 K593 W594 E595 W602	E484-R591 VanDerWaalsContact CD-NH1 3.29Å; E484-R591 IonicContact OE1-CZ 2.73Å; E484-R591 IonicContact OE1-NH1 2.73Å; E484-R591 PolarHBondContact OE1-NH1 2.83Å; E484-R591 IonicContact OE1-NH2 3.44Å; E484-R591 PolarHBondContact OE1-NH2 2.85Å; Q541-R591 VanDerWaalsContact NE2-CD 3.34Å; G587-R591 VanDerWaalsContact O-CB 3.3Å; G587-R591 WeakPolarHBondContact O-CB 3.24Å; G587-R591 PolarHBondContact O-N 3.28Å; R591-K593 VanDerWaalsContact C-N 3.26Å; R591-K593 PolarHBondContact O-N 2.96Å; R591-W594 PolarHBondContact O-N 3.1Å; R591-W594 VanDerWaalsContact O-N 3.12Å; R591-E595 HydrophobicContact CG-CG 4.25Å; R591-E595 WeakPolarHBondContact CG-OE1 3.49Å; R591-E595 IonicContact CZ-OE1 2.7Å; R591-E595 IonicContact NE-OE1 3.26Å; R591-E595 PolarHBondContact NE-OE1 3.41Å; R591-E595 IonicContact NE-OE2 2.61Å; R591-E595 IonicContact NH2-OE1 3.52Å; R591-E595 PolarHBondContact NH2-OE1 3.07Å; R591-E595 WeakPolarHBondContact O-CG 3.42Å; R591-E595 PolarHBondContact O-N 3.04Å; R591-W602 HydrophobicContact CG-CZ2 4.22Å
592	R	90	Very high	92	Very high	120 Å²	120	42.6 Å²	42.6	45%	0.453	22%	0.222	S	C	.	.	H	α-helix	trans	-58.8	-36.7	-177.1	-76.1	-179.4	172.3	166.8	-5.9	112.9	A542 F590 Q596	A542-R592 PolarHBondContact O-NH1 3.41Å; A542-R592 PolarHBondContact O-NH2 3.48Å; F590-R592 PolarHBondContact O-N 2.93Å; F590-R592 VanDerWaalsContact O-N 3.15Å; R592-Q596 WeakPolarHBondContact O-CB 3.36Å; R592-Q596 WeakPolarHBondContact O-CG 3.16Å; R592-Q596 PolarHBondContact O-N 3.47Å; R592-Q596 VanDerWaalsContact O-N 3.08Å
593	K	91.9	Very high	92.1	Very high	61 Å²	61	39.4 Å²	39.4	27%	0.265	21%	0.208	S	C	.	.	H	α-helix	trans	-72.4	-40.1	178.2	-71.7	-67.3	-173.6	179.7	0	111.2	I549 W554 F590 R591 Q596 A597	I549-K593 HydrophobicContact CD1-CG 3.98Å; W554-K593 HydrophobicContact CD2-CB 3.73Å; W554-K593 HydrophobicContact CD2-CG 4.32Å; W554-K593 HydrophobicContact CE3-CB 3.85Å; W554-K593 HydrophobicContact CG-CB 4.02Å; W554-K593 HydrophobicContact CG-CG 4.23Å; W554-K593 HydrophobicContact CZ3-CB 4.38Å; F590-K593 WeakPolarHBondContact O-CB 3.37Å; F590-K593 PolarHBondContact O-N 3.5Å; R591-K593 VanDerWaalsContact C-N 3.26Å; R591-K593 PolarHBondContact O-N 2.96Å; K593-Q596 PolarHBondContact O-N 3.45Å; K593-A597 VanDerWaalsContact O-CB 3.29Å; K593-A597 WeakPolarHBondContact O-CB 3.48Å; K593-A597 PolarHBondContact O-N 3.49Å; K593-A597 VanDerWaalsContact O-N 3.08Å
594	W	92.8	Very high	92.2	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-67.8	-42.5	175.4	-65.4	-32.4	0	0	0	112.4	W554 W558 F590 R591 Q596 A597 F598 W602 L606 W747	W554-W594 AromaticContact CE3-CD1 3.52Å; W554-W594 AromaticContact CE3-NE1 3.75Å; W554-W594 AromaticContact CZ3-CD1 3.8Å; W554-W594 PolarHBondContact O-NE1 3.2Å; W558-W594 AromaticContact CD1-CZ2 3.72Å; F590-W594 HydrophobicContact CB-CD2 3.83Å; F590-W594 HydrophobicContact CB-CE3 3.98Å; F590-W594 HydrophobicContact CB-CH2 3.79Å; F590-W594 HydrophobicContact CB-CZ2 3.56Å; F590-W594 HydrophobicContact CB-CZ3 4Å; F590-W594 HydrophobicContact CD2-CH2 4.12Å; F590-W594 AromaticContact CD2-CZ2 3.74Å; F590-W594 HydrophobicContact CD2-CZ2 3.74Å; F590-W594 HydrophobicContact CG-CH2 4.49Å; F590-W594 HydrophobicContact CG-CZ2 4.1Å; F590-W594 PolarHBondContact O-N 3.12Å; R591-W594 PolarHBondContact O-N 3.1Å; R591-W594 VanDerWaalsContact O-N 3.12Å; W594-Q596 VanDerWaalsContact C-N 3.33Å; W594-Q596 PolarHBondContact O-N 2.49Å; W594-A597 PolarHBondContact O-N 3.5Å; W594-A597 VanDerWaalsContact O-N 3.12Å; W594-F598 HydrophobicContact CB-CD2 4.18Å; W594-F598 AromaticContact CD1-CE2 3.93Å; W594-F598 WeakPolarHBondContact O-CB 3.11Å; W594-F598 WeakPolarHBondContact O-CD2 3.46Å; W594-F598 PolarHBondContact O-N 2.86Å; W594-W602 HydrophobicContact CB-CB 4.06Å; W594-W602 HydrophobicContact CB-CD2 3.84Å; W594-W602 HydrophobicContact CB-CE3 3.76Å; W594-W602 HydrophobicContact CB-CG 3.98Å; W594-W602 HydrophobicContact CD2-CE3 4.05Å; W594-W602 HydrophobicContact CD2-CZ3 4.1Å; W594-W602 HydrophobicContact CE3-CD2 4.43Å; W594-W602 AromaticContact CE3-CE3 3.58Å; W594-W602 HydrophobicContact CE3-CE3 3.58Å; W594-W602 AromaticContact CE3-CH2 3.75Å; W594-W602 HydrophobicContact CE3-CH2 3.75Å; W594-W602 AromaticContact CE3-CZ3 3.2Å; W594-W602 HydrophobicContact CE3-CZ3 3.2Å; W594-W602 HydrophobicContact CG-CE3 4.18Å; W594-W602 HydrophobicContact CZ3-CE3 4.41Å; W594-W602 HydrophobicContact CZ3-CH2 4.06Å; W594-W602 AromaticContact CZ3-CZ3 3.64Å; W594-W602 HydrophobicContact CZ3-CZ3 3.64Å; W594-L606 HydrophobicContact CD2-CD1 3.96Å; W594-L606 HydrophobicContact CE3-CD1 4.21Å; W594-L606 HydrophobicContact CG-CD1 4.31Å; W594-L606 HydrophobicContact CZ2-CD1 4.42Å; W594-L606 HydrophobicContact CZ3-CD1 4.48Å; W594-W747 HydrophobicContact CH2-CZ3 4.16Å; W594-W747 HydrophobicContact CZ3-CH2 4.46Å; W594-W747 AromaticContact CZ3-CZ3 3.94Å; W594-W747 HydrophobicContact CZ3-CZ3 3.94Å
595	E	91.8	Very high	92.3	Very high	66 Å²	66	43.4 Å²	43.4	31%	0.308	23%	0.228	S	C	.	.	H	α-helix	trans	-60.4	-42.2	174	-75.1	175.1	170.6	0	0	112	R591 A597 G599 W602	R591-E595 HydrophobicContact CG-CG 4.25Å; R591-E595 WeakPolarHBondContact CG-OE1 3.49Å; R591-E595 IonicContact CZ-OE1 2.7Å; R591-E595 IonicContact NE-OE1 3.26Å; R591-E595 PolarHBondContact NE-OE1 3.41Å; R591-E595 IonicContact NE-OE2 2.61Å; R591-E595 IonicContact NH2-OE1 3.52Å; R591-E595 PolarHBondContact NH2-OE1 3.07Å; R591-E595 WeakPolarHBondContact O-CG 3.42Å; R591-E595 PolarHBondContact O-N 3.04Å; E595-A597 VanDerWaalsContact C-N 3.28Å; E595-A597 PolarHBondContact O-N 2.83Å; E595-G599 WeakPolarHBondContact CA-O 3.3Å; E595-G599 VanDerWaalsContact O-CA 3.3Å; E595-G599 WeakPolarHBondContact O-CA 3.45Å; E595-G599 PolarHBondContact O-N 3.35Å; E595-W602 HydrophobicContact CG-CG 4.27Å
596	Q	91.7	Very high	92.2	Very high	147 Å²	147	43.5 Å²	43.5	69%	0.687	23%	0.228	S	C	*	.	H	α-helix	trans	-64.4	-31.8	175.4	-76.5	169	8.1	0	0	113	R592 K593 W594	R592-Q596 WeakPolarHBondContact O-CB 3.36Å; R592-Q596 WeakPolarHBondContact O-CG 3.16Å; R592-Q596 PolarHBondContact O-N 3.47Å; R592-Q596 VanDerWaalsContact O-N 3.08Å; K593-Q596 PolarHBondContact O-N 3.45Å; W594-Q596 VanDerWaalsContact C-N 3.33Å; W594-Q596 PolarHBondContact O-N 2.49Å
597	A	92.4	Very high	92.4	Very high	43 Å²	43	43.5 Å²	43.5	36%	0.355	23%	0.228	S	C	.	.	H	α-helix	trans	-91.1	-37.2	-173.7	0	0	0	0	0	113.9	W554 K593 W594 E595	W554-A597 HydrophobicContact CH2-CB 3.47Å; W554-A597 VanDerWaalsContact CH2-CB 3.47Å; W554-A597 HydrophobicContact CZ3-CB 3.7Å; K593-A597 VanDerWaalsContact O-CB 3.29Å; K593-A597 WeakPolarHBondContact O-CB 3.48Å; K593-A597 PolarHBondContact O-N 3.49Å; K593-A597 VanDerWaalsContact O-N 3.08Å; W594-A597 PolarHBondContact O-N 3.5Å; W594-A597 VanDerWaalsContact O-N 3.12Å; E595-A597 VanDerWaalsContact C-N 3.28Å; E595-A597 PolarHBondContact O-N 2.83Å
598	F	91.4	Very high	92.6	Very high	57 Å²	57	46.7 Å²	46.7	25%	0.25	25%	0.245	C	C	.	.	H	α-helix	trans	-117.3	-13.9	-170.2	-58.7	-68.9	0	0	0	113.4	W554 W594 W602 Q605 L606	W554-F598 HydrophobicContact CZ3-CE2 4.41Å; W594-F598 HydrophobicContact CB-CD2 4.18Å; W594-F598 AromaticContact CD1-CE2 3.93Å; W594-F598 WeakPolarHBondContact O-CB 3.11Å; W594-F598 WeakPolarHBondContact O-CD2 3.46Å; W594-F598 PolarHBondContact O-N 2.86Å; F598-W602 HydrophobicContact CB-CB 3.66Å; F598-W602 HydrophobicContact CD2-CB 4.25Å; F598-W602 HydrophobicContact CG-CB 4.41Å; F598-Q605 PolarHBondContact O-NE2 3.29Å; F598-L606 HydrophobicContact CE2-CD2 4.13Å; F598-L606 HydrophobicContact CZ-CD2 4.34Å
599	G	93.4	Very high	92.8	Very high	31 Å²	31	51.6 Å²	51.6	32%	0.32	27%	0.268	S	S	.	.			trans	93.8	-167.4	-175.7	0	0	0	0	0	113.2	E595 D601 W602	E595-G599 WeakPolarHBondContact CA-O 3.3Å; E595-G599 VanDerWaalsContact O-CA 3.3Å; E595-G599 WeakPolarHBondContact O-CA 3.45Å; E595-G599 PolarHBondContact O-N 3.35Å; G599-D601 PolarHBondContact O-N 3.02Å; G599-W602 WeakPolarHBondContact O-CB 3.46Å; G599-W602 PolarHBondContact O-N 3.21Å
600	S	90.8	Very high	92.9	Very high	121 Å²	121	51.5 Å²	51.5	85%	0.846	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-22.3	-177.9	51.1	0	0	0	0	113.8
601	D	92	Very high	93.1	Very high	77 Å²	77	53.9 Å²	53.9	41%	0.412	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	16.8	-179.5	65.4	-44.9	0	0	0	113.3	G599 A603 T604 Q605	G599-D601 PolarHBondContact O-N 3.02Å; D601-A603 PolarHBondContact O-N 2.87Å; D601-A603 VanDerWaalsContact O-N 3.11Å; D601-T604 WeakPolarHBondContact O-CB 3.44Å; D601-T604 PolarHBondContact O-N 2.73Å; D601-Q605 VanDerWaalsContact CG-NE2 3.29Å; D601-Q605 PolarHBondContact O-N 3.34Å; D601-Q605 VanDerWaalsContact O-N 3.07Å; D601-Q605 PolarHBondContact OD1-NE2 3.28Å; D601-Q605 PolarHBondContact OD2-NE2 3.17Å
602	W	94.3	Very high	93.4	Very high	11 Å²	11	55.7 Å²	55.7	4%	0.042	29%	0.29	C	S	.	.	H	α-helix	trans	-49	-40.8	-177.6	67.3	-90.8	0	0	0	113.8	T483 R591 W594 E595 F598 G599 Q605 L606 W747	T483-W602 HydrophobicContact CG2-CH2 3.57Å; T483-W602 HydrophobicContact CG2-CZ2 3.72Å; R591-W602 HydrophobicContact CG-CZ2 4.22Å; W594-W602 HydrophobicContact CB-CB 4.06Å; W594-W602 HydrophobicContact CB-CD2 3.84Å; W594-W602 HydrophobicContact CB-CE3 3.76Å; W594-W602 HydrophobicContact CB-CG 3.98Å; W594-W602 HydrophobicContact CD2-CE3 4.05Å; W594-W602 HydrophobicContact CD2-CZ3 4.1Å; W594-W602 HydrophobicContact CE3-CD2 4.43Å; W594-W602 AromaticContact CE3-CE3 3.58Å; W594-W602 HydrophobicContact CE3-CE3 3.58Å; W594-W602 AromaticContact CE3-CH2 3.75Å; W594-W602 HydrophobicContact CE3-CH2 3.75Å; W594-W602 AromaticContact CE3-CZ3 3.2Å; W594-W602 HydrophobicContact CE3-CZ3 3.2Å; W594-W602 HydrophobicContact CG-CE3 4.18Å; W594-W602 HydrophobicContact CZ3-CE3 4.41Å; W594-W602 HydrophobicContact CZ3-CH2 4.06Å; W594-W602 AromaticContact CZ3-CZ3 3.64Å; W594-W602 HydrophobicContact CZ3-CZ3 3.64Å; E595-W602 HydrophobicContact CG-CG 4.27Å; F598-W602 HydrophobicContact CB-CB 3.66Å; F598-W602 HydrophobicContact CD2-CB 4.25Å; F598-W602 HydrophobicContact CG-CB 4.41Å; G599-W602 WeakPolarHBondContact O-CB 3.46Å; G599-W602 PolarHBondContact O-N 3.21Å; W602-Q605 PolarHBondContact O-N 3.21Å; W602-L606 HydrophobicContact CE3-CD1 3.81Å; W602-L606 HydrophobicContact CZ3-CD1 4Å; W602-L606 WeakPolarHBondContact O-CG 3.35Å; W602-L606 PolarHBondContact O-N 2.78Å; W602-W747 HydrophobicContact CH2-CB 4.37Å; W602-W747 HydrophobicContact CH2-CD2 4.39Å; W602-W747 HydrophobicContact CH2-CE3 4.05Å; W602-W747 HydrophobicContact CZ3-CE3 4.03Å
603	A	92.7	Very high	93.5	Very high	7 Å²	7	53.9 Å²	53.9	6%	0.058	28%	0.284	C	S	.	.	H	α-helix	trans	-66.4	-41.8	-177.5	0	0	0	0	0	111.2	D601 L606 C607 W747 A748	D601-A603 PolarHBondContact O-N 2.87Å; D601-A603 VanDerWaalsContact O-N 3.11Å; A603-L606 PolarHBondContact O-N 2.94Å; A603-C607 WeakPolarHBondContact O-CB 3.4Å; A603-C607 PolarHBondContact O-N 2.79Å; A603-W747 HydrophobicContact CB-CB 3.92Å; A603-A748 HydrophobicContact CB-CB 4.1Å
604	T	94.3	Very high	93.5	Very high	33 Å²	33	51.2 Å²	51.2	20%	0.202	27%	0.273	C	S	.	.	H	α-helix	trans	-64.4	-40.6	175.4	-54.9	0	0	0	0	111.2	D601 C607 I608	D601-T604 WeakPolarHBondContact O-CB 3.44Å; D601-T604 PolarHBondContact O-N 2.73Å; T604-C607 PolarHBondContact O-N 2.94Å; T604-I608 HydrophobicContact CG2-CD1 3.96Å; T604-I608 VanDerWaalsContact O-CG1 3.31Å; T604-I608 WeakPolarHBondContact O-CG1 3.19Å; T604-I608 PolarHBondContact O-N 3.3Å
605	Q	94.8	Very high	93.4	Very high	71 Å²	71	52.7 Å²	52.7	33%	0.332	29%	0.288	S	S	.	.	H	α-helix	trans	-62.8	-45.4	175.9	-67.2	-176.5	27	0	0	112.2	F598 D601 W602 C607 I608 E609	F598-Q605 PolarHBondContact O-NE2 3.29Å; D601-Q605 VanDerWaalsContact CG-NE2 3.29Å; D601-Q605 PolarHBondContact O-N 3.34Å; D601-Q605 VanDerWaalsContact O-N 3.07Å; D601-Q605 PolarHBondContact OD1-NE2 3.28Å; D601-Q605 PolarHBondContact OD2-NE2 3.17Å; W602-Q605 PolarHBondContact O-N 3.21Å; Q605-C607 VanDerWaalsContact C-N 3.35Å; Q605-C607 PolarHBondContact O-N 3.32Å; Q605-I608 PolarHBondContact O-N 3.02Å; Q605-E609 WeakPolarHBondContact O-CB 3.31Å; Q605-E609 PolarHBondContact O-N 2.83Å
606	L	94.1	Very high	93.4	Very high	3 Å²	3	57 Å²	57	2%	0.016	31%	0.312	C	S	.	.	H	α-helix	trans	-64.3	-38.8	176.3	-65.4	-179.8	0	0	0	112.2	W558 W594 F598 W602 A603 E609 W610 L743	W558-L606 HydrophobicContact CZ2-CD2 4.01Å; W594-L606 HydrophobicContact CD2-CD1 3.96Å; W594-L606 HydrophobicContact CE3-CD1 4.21Å; W594-L606 HydrophobicContact CG-CD1 4.31Å; W594-L606 HydrophobicContact CZ2-CD1 4.42Å; W594-L606 HydrophobicContact CZ3-CD1 4.48Å; F598-L606 HydrophobicContact CE2-CD2 4.13Å; F598-L606 HydrophobicContact CZ-CD2 4.34Å; W602-L606 HydrophobicContact CE3-CD1 3.81Å; W602-L606 HydrophobicContact CZ3-CD1 4Å; W602-L606 WeakPolarHBondContact O-CG 3.35Å; W602-L606 PolarHBondContact O-N 2.78Å; A603-L606 PolarHBondContact O-N 2.94Å; L606-E609 PolarHBondContact O-N 2.73Å; L606-W610 PolarHBondContact O-N 2.54Å; L606-L743 HydrophobicContact CB-CD2 3.86Å; L606-L743 HydrophobicContact CD1-CD2 4.06Å
607	C	96	Very high	93.3	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-60.7	-46.2	173.8	172.3	0	0	0	0	111.7	A603 T604 Q605 E609 W610 Y611 C744 A748	A603-C607 WeakPolarHBondContact O-CB 3.4Å; A603-C607 PolarHBondContact O-N 2.79Å; T604-C607 PolarHBondContact O-N 2.94Å; Q605-C607 VanDerWaalsContact C-N 3.35Å; Q605-C607 PolarHBondContact O-N 3.32Å; C607-E609 VanDerWaalsContact C-N 3.35Å; C607-W610 PolarHBondContact O-N 3.09Å; C607-Y611 WeakPolarHBondContact O-CB 3.47Å; C607-Y611 PolarHBondContact O-N 2.9Å; C607-C744 VanDerWaalsContact CA-SG 3.54Å; C607-C744 HydrophobicContact CB-CB 4.01Å; C607-C744 WeakPolarHBondContact CB-SG 3.29Å; C607-C744 WeakPolarHBondContact SG-CA 3.4Å; C607-C744 WeakPolarHBondContact SG-CB 3.39Å; C607-C744 CovalentContact SG-SG 2.04Å; C607-C744 PolarHBondContact SG-SG 2.91Å; C607-A748 HydrophobicContact CB-CB 4.12Å
608	I	96	Very high	93	Very high	66 Å²	66	55 Å²	55	34%	0.338	30%	0.298	S	S	.	.	H	α-helix	trans	-65.1	-39.1	177.5	-69.4	168.4	0	0	0	111.1	T604 Q605 Y611 N612 F753	T604-I608 HydrophobicContact CG2-CD1 3.96Å; T604-I608 VanDerWaalsContact O-CG1 3.31Å; T604-I608 WeakPolarHBondContact O-CG1 3.19Å; T604-I608 PolarHBondContact O-N 3.3Å; Q605-I608 PolarHBondContact O-N 3.02Å; I608-Y611 PolarHBondContact O-N 2.92Å; I608-N612 WeakPolarHBondContact O-CB 3.39Å; I608-N612 VanDerWaalsContact O-CG 3.25Å; I608-N612 PolarHBondContact O-N 3.01Å; I608-N612 PolarHBondContact O-ND2 2.74Å; I608-F753 HydrophobicContact CG1-CZ 4.34Å
609	E	93.7	Very high	92.9	Very high	107 Å²	107	57.1 Å²	57.1	50%	0.5	31%	0.312	S	S	.	.	H	α-helix	trans	-59.2	-50	175	-174.8	-179.9	172.3	0	0	111	Q605 L606 C607 Y611 N612 Y613	Q605-E609 WeakPolarHBondContact O-CB 3.31Å; Q605-E609 PolarHBondContact O-N 2.83Å; L606-E609 PolarHBondContact O-N 2.73Å; C607-E609 VanDerWaalsContact C-N 3.35Å; E609-Y611 PolarHBondContact O-N 2.74Å; E609-N612 PolarHBondContact O-N 2.77Å; E609-Y613 WeakPolarHBondContact O-CB 3.31Å; E609-Y613 PolarHBondContact O-N 2.95Å
610	W	94.2	Very high	92.8	Very high	11 Å²	11	55.8 Å²	55.8	4%	0.042	30%	0.297	C	S	.	.	H	α-helix	trans	-60.2	-45.3	173.8	168	79.4	0	0	0	112	W558 L606 C607 N612 Y613 D614 P740 Y754 R757	W558-W610 HydrophobicContact CH2-CB 4.12Å; W558-W610 HydrophobicContact CZ3-CB 4.09Å; L606-W610 PolarHBondContact O-N 2.54Å; C607-W610 PolarHBondContact O-N 3.09Å; W610-N612 VanDerWaalsContact C-N 3.26Å; W610-N612 PolarHBondContact O-N 3.33Å; W610-Y613 PolarHBondContact O-N 3.15Å; W610-Y613 VanDerWaalsContact O-N 3.15Å; W610-D614 HydrophobicContact CZ2-CB 4.24Å; W610-D614 WeakPolarHBondContact O-CB 3.19Å; W610-D614 PolarHBondContact O-N 3.18Å; W610-P740 HydrophobicContact CD2-CB 3.59Å; W610-P740 HydrophobicContact CD2-CG 3.99Å; W610-P740 HydrophobicContact CE3-CB 4.03Å; W610-P740 HydrophobicContact CG-CB 4.12Å; W610-P740 HydrophobicContact CG-CG 4.13Å; W610-P740 HydrophobicContact CH2-CB 3.83Å; W610-P740 HydrophobicContact CZ2-CB 3.37Å; W610-P740 HydrophobicContact CZ2-CG 3.8Å; W610-P740 HydrophobicContact CZ3-CB 4.14Å; W610-Y754 AromaticContact CH2-CD2 3.63Å; W610-Y754 HydrophobicContact CH2-CD2 3.63Å; W610-Y754 HydrophobicContact CH2-CE2 4.33Å; W610-Y754 HydrophobicContact CH2-CG 4.43Å; W610-Y754 HydrophobicContact CZ2-CD2 4.27Å; W610-Y754 HydrophobicContact CZ3-CD2 4.17Å; W610-R757 HydrophobicContact CH2-CB 3.84Å; W610-R757 HydrophobicContact CH2-CG 4.13Å; W610-R757 HydrophobicContact CZ2-CB 4.47Å; W610-R757 HydrophobicContact CZ3-CG 4.37Å
611	Y	96.4	Very high	92.9	Very high	51 Å²	51	50.8 Å²	50.8	20%	0.2	26%	0.261	C	S	.	.	H	α-helix	trans	-59.1	-39.2	-178.9	177.4	-93.3	0	0	0	112.1	C607 I608 E609 G615 F753 W756 R757	C607-Y611 WeakPolarHBondContact O-CB 3.47Å; C607-Y611 PolarHBondContact O-N 2.9Å; I608-Y611 PolarHBondContact O-N 2.92Å; E609-Y611 PolarHBondContact O-N 2.74Å; Y611-G615 PolarHBondContact O-N 2.7Å; Y611-F753 HydrophobicContact CD1-CD1 4.27Å; Y611-F753 HydrophobicContact CD2-CB 3.82Å; Y611-F753 AromaticContact CD2-CD1 3.88Å; Y611-F753 HydrophobicContact CD2-CD1 3.88Å; Y611-F753 HydrophobicContact CD2-CG 4.33Å; Y611-F753 VanDerWaalsContact CD2-O 3.27Å; Y611-F753 WeakPolarHBondContact CD2-O 3.47Å; Y611-F753 HydrophobicContact CE1-CD1 4.48Å; Y611-F753 HydrophobicContact CE2-CB 4.41Å; Y611-F753 HydrophobicContact CE2-CD1 4.1Å; Y611-F753 WeakPolarHBondContact CE2-O 3.4Å; Y611-F753 HydrophobicContact CG-CB 4.36Å; Y611-F753 AromaticContact CG-CD1 3.97Å; Y611-F753 HydrophobicContact CG-CD1 3.97Å; Y611-W756 HydrophobicContact CE2-CB 4.09Å; Y611-W756 HydrophobicContact CE2-CE3 4.15Å; Y611-R757 HydrophobicContact CD2-CG 3.51Å; Y611-R757 HydrophobicContact CE2-CG 3.59Å; Y611-R757 HydrophobicContact CG-CG 4.49Å; Y611-R757 PolarHBondContact O-NE 2.99Å; Y611-R757 PolarHBondContact O-NH2 2.87Å
612	N	96	Very high	92.7	Very high	87 Å²	87	55.8 Å²	55.8	47%	0.465	27%	0.274	S	S	.	.	H	α-helix	trans	-71.3	-46.2	174.9	-70.5	-28.9	0	0	0	111	I608 E609 W610 G615 L616	I608-N612 WeakPolarHBondContact O-CB 3.39Å; I608-N612 VanDerWaalsContact O-CG 3.25Å; I608-N612 PolarHBondContact O-N 3.01Å; I608-N612 PolarHBondContact O-ND2 2.74Å; E609-N612 PolarHBondContact O-N 2.77Å; W610-N612 VanDerWaalsContact C-N 3.26Å; W610-N612 PolarHBondContact O-N 3.33Å; N612-G615 PolarHBondContact O-N 2.9Å; N612-L616 WeakPolarHBondContact O-CG 3.37Å; N612-L616 PolarHBondContact O-N 3.25Å
613	Y	91.9	Very high	92.3	Very high	81 Å²	81	58.6 Å²	58.6	32%	0.318	29%	0.286	S	S	.	.	H	α-helix	trans	-59.1	-48.9	178.8	175.3	-105.1	0	0	0	112.5	E609 W610 G615 L616	E609-Y613 WeakPolarHBondContact O-CB 3.31Å; E609-Y613 PolarHBondContact O-N 2.95Å; W610-Y613 PolarHBondContact O-N 3.15Å; W610-Y613 VanDerWaalsContact O-N 3.15Å; Y613-G615 PolarHBondContact O-N 3.22Å; Y613-L616 PolarHBondContact O-N 3.12Å
614	D	92.8	Very high	92.3	Very high	6 Å²	6	58.2 Å²	58.2	3%	0.032	28%	0.284	C	S	.	.	H	α-helix	trans	-65	-31.1	178.7	-171	73.7	0	0	0	111.8	W610 L616 R617 R713 R758	W610-D614 HydrophobicContact CZ2-CB 4.24Å; W610-D614 WeakPolarHBondContact O-CB 3.19Å; W610-D614 PolarHBondContact O-N 3.18Å; D614-L616 VanDerWaalsContact C-N 3.34Å; D614-L616 PolarHBondContact O-N 2.82Å; D614-R617 PolarHBondContact O-N 2.7Å; D614-R713 PolarHBondContact O-NH2 3.43Å; D614-R713 IonicContact OD1-CZ 2.94Å; D614-R713 IonicContact OD1-NE 3.7Å; D614-R713 PolarHBondContact OD1-NE 3.06Å; D614-R713 IonicContact OD1-NH2 3.58Å; D614-R713 PolarHBondContact OD1-NH2 3.37Å; D614-R713 IonicContact OD2-NH2 3.79Å; D614-R758 IonicContact OD1-CZ 2.74Å; D614-R758 IonicContact OD1-NH1 2.69Å; D614-R758 IonicContact OD1-NH2 3.07Å; D614-R758 PolarHBondContact OD1-NH2 3.04Å; D614-R758 IonicContact OD2-CZ 2.72Å; D614-R758 IonicContact OD2-NH1 2.89Å; D614-R758 PolarHBondContact OD2-NH1 3.08Å; D614-R758 IonicContact OD2-NH2 3.76Å
615	G	91.5	Very high	92	Very high	31 Å²	31	59.3 Å²	59.3	32%	0.32	28%	0.284	S	S	.	.	H	α-helix	trans	-70.8	-22.5	176.1	0	0	0	0	0	116	Y611 N612 Y613 R617 R757	Y611-G615 PolarHBondContact O-N 2.7Å; N612-G615 PolarHBondContact O-N 2.9Å; Y613-G615 PolarHBondContact O-N 3.22Å; G615-R617 VanDerWaalsContact C-N 3.29Å; G615-R757 VanDerWaalsContact CA-NH1 3.35Å; G615-R757 VanDerWaalsContact CA-NH2 3.32Å
616	L	91.3	Very high	91.5	Very high	156 Å²	156	59.1 Å²	59.1	82%	0.817	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-13.1	175	-67.5	171.8	0	0	0	112.5	N612 Y613 D614	N612-L616 WeakPolarHBondContact O-CG 3.37Å; N612-L616 PolarHBondContact O-N 3.25Å; Y613-L616 PolarHBondContact O-N 3.12Å; D614-L616 VanDerWaalsContact C-N 3.34Å; D614-L616 PolarHBondContact O-N 2.82Å
617	R	89.4	Confident	91.1	Very high	30 Å²	30	63.2 Å²	63.2	11%	0.113	31%	0.314	C	S	.	.	S	Bend	trans	-89.6	162.4	-178.6	-61.7	171.9	74.1	-176.6	7.5	110.9	M516 D614 G615 N619 N736	M516-R617 PolarHBondContact SD-NE 3.08Å; M516-R617 PolarHBondContact SD-NH2 3.43Å; M516-R617 VanDerWaalsContact SD-NH2 3.41Å; D614-R617 PolarHBondContact O-N 2.7Å; G615-R617 VanDerWaalsContact C-N 3.29Å; R617-N619 PolarHBondContact O-N 3.48Å; R617-N736 PolarHBondContact NH1-OD1 2.81Å
618	D	87.2	Confident	90.7	Very high	118 Å²	118	63.6 Å²	63.6	63%	0.631	32%	0.316	S	S	*	.			trans	-55	135.4	176.7	-68.4	-36.2	0	0	0	111.6	F620 R713	D618-F620 PolarHBondContact O-N 3.49Å; D618-R713 PolarHBondContact O-NH1 3.27Å
619	N	89.2	Confident	90.4	Very high	102 Å²	102	61 Å²	61	55%	0.545	30%	0.303	S	S	.	.			trans	-77.5	86.4	178.9	-176.4	5.1	0	0	0	110.7	R617 L621 R622	R617-N619 PolarHBondContact O-N 3.48Å; N619-L621 PolarHBondContact O-N 2.92Å; N619-L621 VanDerWaalsContact OD1-CB 3.24Å; N619-L621 WeakPolarHBondContact OD1-CB 3.48Å; N619-L621 WeakPolarHBondContact OD1-CG 3.37Å; N619-L621 PolarHBondContact OD1-N 3.4Å; N619-R622 PolarHBondContact O-N 3.4Å
620	F	91.1	Very high	90.4	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.009	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-20.8	179.8	78.1	-81.9	0	0	0	113.7	D618 R622 K623 T624 E676 P711 Y712 R713	D618-F620 PolarHBondContact O-N 3.49Å; F620-R622 VanDerWaalsContact C-N 3.3Å; F620-R622 PolarHBondContact O-N 2.84Å; F620-K623 PolarHBondContact O-N 3.12Å; F620-T624 WeakPolarHBondContact O-CB 3.39Å; F620-T624 PolarHBondContact O-N 3.13Å; F620-T624 VanDerWaalsContact O-N 3.1Å; F620-T624 PolarHBondContact O-OG1 3.41Å; F620-E676 WeakPolarHBondContact CA-OE2 3.45Å; F620-E676 HydrophobicContact CB-CB 4.34Å; F620-P711 HydrophobicContact CE2-CB 4.18Å; F620-Y712 VanDerWaalsContact CE2-C 3.43Å; F620-Y712 VanDerWaalsContact CE2-O 3.27Å; F620-Y712 WeakPolarHBondContact CE2-O 3.28Å; F620-R713 HydrophobicContact CD1-CB 4.08Å; F620-R713 HydrophobicContact CD1-CG 4.04Å; F620-R713 HydrophobicContact CE1-CB 3.76Å; F620-R713 HydrophobicContact CE1-CG 4.21Å; F620-R713 HydrophobicContact CE2-CB 4.28Å; F620-R713 HydrophobicContact CG-CB 4.48Å; F620-R713 HydrophobicContact CG-CG 4.36Å; F620-R713 HydrophobicContact CZ-CB 3.85Å
621	L	91.7	Very high	90.2	Very high	17 Å²	17	55.4 Å²	55.4	9%	0.089	28%	0.277	C	S	.	.	H	α-helix	trans	-62.3	-37.6	-176.8	-55.6	177.3	0	0	0	111.9	N619 K623 T624 Y625 P711 P759	N619-L621 PolarHBondContact O-N 2.92Å; N619-L621 VanDerWaalsContact OD1-CB 3.24Å; N619-L621 WeakPolarHBondContact OD1-CB 3.48Å; N619-L621 WeakPolarHBondContact OD1-CG 3.37Å; N619-L621 PolarHBondContact OD1-N 3.4Å; L621-K623 VanDerWaalsContact C-N 3.34Å; L621-K623 PolarHBondContact O-N 3.08Å; L621-T624 PolarHBondContact O-N 2.93Å; L621-Y625 HydrophobicContact CB-CE1 4.16Å; L621-Y625 HydrophobicContact CB-CE2 4.15Å; L621-Y625 HydrophobicContact CD2-CE1 4.06Å; L621-Y625 WeakPolarHBondContact O-CB 3.2Å; L621-Y625 WeakPolarHBondContact O-CD1 3.39Å; L621-Y625 VanDerWaalsContact O-CG 3.26Å; L621-Y625 PolarHBondContact O-N 3Å; L621-P711 HydrophobicContact CD2-CB 3.88Å; L621-P711 HydrophobicContact CD2-CG 3.4Å; L621-P711 VanDerWaalsContact CD2-CG 3.4Å; L621-P759 HydrophobicContact CD1-CG 4.08Å
622	R	87.9	Confident	89.9	Confident	182 Å²	182	53.1 Å²	53.1	69%	0.687	27%	0.269	S	S	*	.	H	α-helix	trans	-56.4	-46.8	-176.9	-177.5	-175.1	62.6	158.6	-3	112	N619 F620	N619-R622 PolarHBondContact O-N 3.4Å; F620-R622 VanDerWaalsContact C-N 3.3Å; F620-R622 PolarHBondContact O-N 2.84Å
623	K	87.2	Confident	89.6	Confident	69 Å²	69	49.8 Å²	49.8	30%	0.3	25%	0.252	S	S	.	.	H	α-helix	trans	-76.8	-41.7	177.6	-74.1	-177.4	-180	163.4	0	111.3	F620 L621 Y625 A626 E627 E676	F620-K623 PolarHBondContact O-N 3.12Å; L621-K623 VanDerWaalsContact C-N 3.34Å; L621-K623 PolarHBondContact O-N 3.08Å; K623-Y625 VanDerWaalsContact C-N 3.33Å; K623-Y625 PolarHBondContact O-N 3.43Å; K623-A626 PolarHBondContact O-N 3.23Å; K623-E627 WeakPolarHBondContact O-CB 2.89Å; K623-E627 WeakPolarHBondContact O-CG 3.37Å; K623-E627 PolarHBondContact O-N 2.77Å; K623-E676 WeakPolarHBondContact CD-OE1 3.42Å; K623-E676 VanDerWaalsContact CE-OE1 3.32Å; K623-E676 WeakPolarHBondContact CE-OE1 3.35Å; K623-E676 IonicContact NZ-OE1 2.82Å; K623-E676 PolarHBondContact NZ-OE1 3.04Å
624	T	90.9	Very high	89.6	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-58.7	-44.3	-178.5	-52.2	0	0	0	0	111.4	F620 L621 A626 I628 Q680	F620-T624 WeakPolarHBondContact O-CB 3.39Å; F620-T624 PolarHBondContact O-N 3.13Å; F620-T624 VanDerWaalsContact O-N 3.1Å; F620-T624 PolarHBondContact O-OG1 3.41Å; L621-T624 PolarHBondContact O-N 2.93Å; T624-A626 PolarHBondContact O-N 3.31Å; T624-I628 CarbonylContact O-C 3.59Å; T624-I628 VanDerWaalsContact O-C 3.31Å; T624-I628 WeakPolarHBondContact O-CA 3.27Å; T624-I628 PolarHBondContact O-N 3.35Å; T624-Q680 HydrophobicContact CG2-CG 4.07Å
625	Y	89.5	Confident	89.5	Confident	56 Å²	56	49.7 Å²	49.7	22%	0.22	26%	0.257	C	S	.	.	H	α-helix	trans	-68.9	-33.4	179.2	-66.7	-1.1	0	0	0	113.5	L621 K623 P711 P759 S761	L621-Y625 HydrophobicContact CB-CE1 4.16Å; L621-Y625 HydrophobicContact CB-CE2 4.15Å; L621-Y625 HydrophobicContact CD2-CE1 4.06Å; L621-Y625 WeakPolarHBondContact O-CB 3.2Å; L621-Y625 WeakPolarHBondContact O-CD1 3.39Å; L621-Y625 VanDerWaalsContact O-CG 3.26Å; L621-Y625 PolarHBondContact O-N 3Å; K623-Y625 VanDerWaalsContact C-N 3.33Å; K623-Y625 PolarHBondContact O-N 3.43Å; Y625-P711 HydrophobicContact CE1-CB 4.12Å; Y625-P711 HydrophobicContact CE1-CG 3.86Å; Y625-P759 WeakPolarHBondContact OH-CG 3.36Å; Y625-P759 PolarHBondContact OH-O 3.45Å; Y625-S761 VanDerWaalsContact CD1-OG 3.26Å; Y625-S761 WeakPolarHBondContact CD1-OG 3.25Å
626	A	84.4	Confident	89.4	Confident	66 Å²	66	48.2 Å²	48.2	55%	0.545	24%	0.242	S	C	.	.	H	α-helix	trans	-77.3	-39.7	-179.8	0	0	0	0	0	111.9	K623 T624	K623-A626 PolarHBondContact O-N 3.23Å; T624-A626 PolarHBondContact O-N 3.31Å
627	E	84.7	Confident	89.4	Confident	90 Å²	90	41 Å²	41	42%	0.421	20%	0.204	S	C	.	.	H	α-helix	trans	-92.3	-27.1	-173.6	-66.1	-178.6	-151.5	0	0	113.4	K623 R672	K623-E627 WeakPolarHBondContact O-CB 2.89Å; K623-E627 WeakPolarHBondContact O-CG 3.37Å; K623-E627 PolarHBondContact O-N 2.77Å; E627-R672 PolarHBondContact O-NH2 3.37Å
628	I	88.7	Confident	89.5	Confident	7 Å²	7	42.2 Å²	42.2	4%	0.036	22%	0.217	C	C	.	.	S	Bend	trans	-138.9	80.9	-175.1	-46.2	176.5	0	0	0	107.1	T624 F644 R672 T674 Q680	T624-I628 CarbonylContact O-C 3.59Å; T624-I628 VanDerWaalsContact O-C 3.31Å; T624-I628 WeakPolarHBondContact O-CA 3.27Å; T624-I628 PolarHBondContact O-N 3.35Å; I628-F644 HydrophobicContact CG2-CE1 4.26Å; I628-F644 HydrophobicContact CG2-CZ 4.15Å; I628-R672 HydrophobicContact CD1-CG 3.95Å; I628-T674 HydrophobicContact CD1-CG2 4.07Å; I628-Q680 HydrophobicContact CB-CG 3.89Å; I628-Q680 HydrophobicContact CG2-CB 3.95Å; I628-Q680 HydrophobicContact CG2-CG 3.59Å; I628-Q680 VanDerWaalsContact O-CD 3.24Å; I628-Q680 WeakPolarHBondContact O-CG 3.38Å; I628-Q680 PolarHBondContact O-NE2 3.09Å
629	P	89.4	Confident	89.6	Confident	12 Å²	12	37.3 Å²	37.3	8%	0.078	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-81.3	148.3	173.9	30.4	-34.6	0	0	0	111.6	F644 N765 Y766	P629-F644 WeakPolarHBondContact O-CZ 3.3Å; P629-N765 HydrophobicContact CB-CB 4.2Å; P629-N765 HydrophobicContact CG-CB 4.43Å; P629-N765 WeakPolarHBondContact CG-O 3.4Å; P629-Y766 HydrophobicContact CG-CD2 4.29Å
630	C	92.3	Very high	89.6	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-70.2	140.3	175.7	-76.6	0	0	0	0	111.9	C682 L690 C763 Y766	C630-C682 WeakPolarHBondContact CA-SG 3.44Å; C630-C682 HydrophobicContact CB-CB 3.81Å; C630-C682 WeakPolarHBondContact CB-SG 3.5Å; C630-C682 WeakPolarHBondContact SG-CB 3.48Å; C630-C682 CovalentContact SG-SG 2.03Å; C630-C682 PolarHBondContact SG-SG 3.19Å; C630-L690 HydrophobicContact CB-CD1 4.19Å; C630-L690 HydrophobicContact CB-CD2 3.93Å; C630-C763 WeakPolarHBondContact O-CA 3.48Å; C630-C763 WeakPolarHBondContact O-CB 3.42Å; C630-Y766 WeakPolarHBondContact O-CB 3.46Å
631	P	92	Very high	89.6	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-60.3	143.1	165.9	-16.6	27.1	0	0	0	111.2	T633 Q636 A637 F644 Y684 Y766	P631-T633 VanDerWaalsContact C-N 3.34Å; P631-T633 PolarHBondContact O-N 3.39Å; P631-Q636 HydrophobicContact CB-CB 3.82Å; P631-A637 HydrophobicContact CB-CB 4.13Å; P631-A637 HydrophobicContact CG-CB 3.98Å; P631-F644 HydrophobicContact CG-CD2 3.99Å; P631-F644 HydrophobicContact CG-CE2 3.78Å; P631-F644 HydrophobicContact CG-CZ 4.26Å; P631-Y684 WeakPolarHBondContact CB-OH 3.28Å; P631-Y684 WeakPolarHBondContact CD-OH 3.11Å; P631-Y684 WeakPolarHBondContact O-CE1 3.34Å; P631-Y684 PolarHBondContact O-OH 2.9Å; P631-Y766 HydrophobicContact CB-CD1 4.39Å; P631-Y766 HydrophobicContact CB-CD2 4.35Å; P631-Y766 HydrophobicContact CB-CE1 3.9Å; P631-Y766 HydrophobicContact CB-CE2 3.89Å; P631-Y766 HydrophobicContact CG-CD2 4.27Å; P631-Y766 HydrophobicContact CG-CE2 3.66Å
632	C	88.7	Confident	89.6	Confident	3 Å²	3	33 Å²	33	2%	0.02	17%	0.168	C	C	.	.	S	Bend	trans	-70.4	-31.3	-177.8	-58.6	0	0	0	0	112.9	Q636 L690 C763 T1139 L1161	C632-Q636 VanDerWaalsContact CB-OE1 3.31Å; C632-L690 WeakPolarHBondContact O-CB 3.47Å; C632-L690 PolarHBondContact O-N 3.11Å; C632-C763 WeakPolarHBondContact CA-SG 3.4Å; C632-C763 HydrophobicContact CB-CB 3.84Å; C632-C763 WeakPolarHBondContact CB-SG 3.4Å; C632-C763 WeakPolarHBondContact SG-CB 3.34Å; C632-C763 CovalentContact SG-SG 2.03Å; C632-C763 PolarHBondContact SG-SG 3.27Å; C632-T1139 HydrophobicContact CB-CG2 4.09Å; C632-L1161 HydrophobicContact CB-CD2 4.37Å
633	T	90.6	Very high	89.7	Confident	17 Å²	17	26.3 Å²	26.3	10%	0.104	14%	0.143	C	C	.	.	B	Isolated β-bridge	trans	-130.4	157.5	-174.9	65	0	0	0	0	111.9	P631 D635 Q636 A637 G688 W689	P631-T633 VanDerWaalsContact C-N 3.34Å; P631-T633 PolarHBondContact O-N 3.39Å; T633-D635 VanDerWaalsContact C-N 3.29Å; T633-D635 PolarHBondContact O-N 2.93Å; T633-Q636 WeakPolarHBondContact O-CB 3.23Å; T633-Q636 PolarHBondContact O-N 3.48Å; T633-Q636 VanDerWaalsContact OG1-CG 3.28Å; T633-Q636 WeakPolarHBondContact OG1-CG 3.24Å; T633-Q636 PolarHBondContact OG1-N 3.03Å; T633-Q636 PolarHBondContact OG1-OE1 2.56Å; T633-A637 PolarHBondContact O-N 3.49Å; T633-G688 CarbonylContact C-O 3.57Å; T633-G688 WeakPolarHBondContact CA-O 3.48Å; T633-W689 HydrophobicContact CG2-CE3 4.03Å; T633-W689 HydrophobicContact CG2-CZ3 3.74Å
634	L	92	Very high	90	Very high	15 Å²	15	23.2 Å²	23.2	8%	0.079	13%	0.129	C	C	.	.	H	α-helix	trans	-62.4	-36.1	176.1	178.5	56.1	0	0	0	112.6	A637 S638 M652 H666 Y684 G688	L634-A637 PolarHBondContact O-N 2.68Å; L634-S638 WeakPolarHBondContact O-CB 3.35Å; L634-S638 PolarHBondContact O-N 3.07Å; L634-S638 PolarHBondContact O-OG 3.08Å; L634-M652 HydrophobicContact CD1-CE 3.74Å; L634-M652 HydrophobicContact CD2-CE 3.72Å; L634-M652 HydrophobicContact CG-CE 4.02Å; L634-H666 HydrophobicContact CD1-CB 3.74Å; L634-H666 VanDerWaalsContact CD1-CD2 3.44Å; L634-H666 WeakPolarHBondContact CD1-CD2 3.48Å; L634-H666 HydrophobicContact CD2-CB 4.48Å; L634-Y684 HydrophobicContact CB-CD1 4.11Å; L634-Y684 HydrophobicContact CB-CD2 4.36Å; L634-Y684 HydrophobicContact CB-CG 3.84Å; L634-Y684 HydrophobicContact CD1-CD2 3.84Å; L634-Y684 HydrophobicContact CD1-CG 4.1Å; L634-G688 PolarHBondContact N-O 2.6Å
635	D	90.2	Very high	90.1	Very high	70 Å²	70	23.2 Å²	23.2	37%	0.374	13%	0.129	S	C	.	.	H	α-helix	trans	-63.1	-43.3	176.8	-76.1	-32.1	0	0	0	110.9	T633 S638 V639 K1134	T633-D635 VanDerWaalsContact C-N 3.29Å; T633-D635 PolarHBondContact O-N 2.93Å; D635-S638 PolarHBondContact O-N 3.41Å; D635-V639 PolarHBondContact O-N 3.36Å; D635-K1134 HydrophobicContact CB-CB 3.83Å; D635-K1134 WeakPolarHBondContact OD2-CD 3.24Å; D635-K1134 IonicContact OD2-NZ 3.15Å
636	Q	90	Very high	90.3	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.005	12%	0.124	C	C	.	.	H	α-helix	trans	-61.1	-45.9	172.2	-71.9	165	-17.9	0	0	111.7	P631 C632 T633 S638 V639 D640 Y766 G1135 Q1137 T1139	P631-Q636 HydrophobicContact CB-CB 3.82Å; C632-Q636 VanDerWaalsContact CB-OE1 3.31Å; T633-Q636 WeakPolarHBondContact O-CB 3.23Å; T633-Q636 PolarHBondContact O-N 3.48Å; T633-Q636 VanDerWaalsContact OG1-CG 3.28Å; T633-Q636 WeakPolarHBondContact OG1-CG 3.24Å; T633-Q636 PolarHBondContact OG1-N 3.03Å; T633-Q636 PolarHBondContact OG1-OE1 2.56Å; Q636-S638 VanDerWaalsContact C-N 3.3Å; Q636-S638 PolarHBondContact O-N 3.17Å; Q636-V639 PolarHBondContact O-N 3.01Å; Q636-D640 VanDerWaalsContact O-CB 3.28Å; Q636-D640 WeakPolarHBondContact O-CB 3.48Å; Q636-D640 PolarHBondContact O-N 3.1Å; Q636-Y766 HydrophobicContact CB-CE1 4.17Å; Q636-Y766 HydrophobicContact CG-CE1 4.36Å; Q636-G1135 WeakPolarHBondContact CG-O 3.36Å; Q636-Q1137 PolarHBondContact NE2-O 3.08Å; Q636-T1139 PolarHBondContact NE2-OG1 2.8Å
637	A	91.4	Very high	90.7	Very high	3 Å²	3	19 Å²	19	3%	0.025	10%	0.102	C	C	.	.	H	α-helix	trans	-62.3	-36.9	179.1	0	0	0	0	0	113	P631 T633 L634 D640 V668 Y684	P631-A637 HydrophobicContact CB-CB 4.13Å; P631-A637 HydrophobicContact CG-CB 3.98Å; T633-A637 PolarHBondContact O-N 3.49Å; L634-A637 PolarHBondContact O-N 2.68Å; A637-D640 PolarHBondContact O-N 2.61Å; A637-V668 HydrophobicContact CB-CG1 4.24Å; A637-V668 HydrophobicContact CB-CG2 4.26Å; A637-Y684 HydrophobicContact CB-CD2 4.42Å; A637-Y684 HydrophobicContact CB-CE2 3.53Å
638	S	90.2	Very high	90.8	Very high	56 Å²	56	16.2 Å²	16.2	39%	0.392	9%	0.092	S	C	.	.	H	α-helix	trans	-70.5	-34.5	-179.8	-59.6	0	0	0	0	112.4	L634 D635 Q636	L634-S638 WeakPolarHBondContact O-CB 3.35Å; L634-S638 PolarHBondContact O-N 3.07Å; L634-S638 PolarHBondContact O-OG 3.08Å; D635-S638 PolarHBondContact O-N 3.41Å; Q636-S638 VanDerWaalsContact C-N 3.3Å; Q636-S638 PolarHBondContact O-N 3.17Å
639	V	89.3	Confident	90.6	Very high	16 Å²	16	18.6 Å²	18.6	10%	0.097	11%	0.107	C	C	.	.	H	α-helix	trans	-78.5	-31.9	175.9	162.1	0	0	0	0	112.3	D635 Q636 F641 L793 D1131	D635-V639 PolarHBondContact O-N 3.36Å; Q636-V639 PolarHBondContact O-N 3.01Å; V639-F641 WeakPolarHBondContact O-CD1 3.25Å; V639-F641 PolarHBondContact O-N 2.85Å; V639-L793 HydrophobicContact CB-CD1 4.47Å; V639-L793 HydrophobicContact CG1-CD1 3.43Å; V639-L793 VanDerWaalsContact CG1-CD1 3.43Å; V639-L793 HydrophobicContact CG1-CD2 4.28Å; V639-L793 HydrophobicContact CG1-CG 3.89Å; V639-L793 HydrophobicContact CG2-CD1 4.37Å; V639-D1131 HydrophobicContact CG2-CB 4.12Å; V639-D1131 WeakPolarHBondContact CG2-O 3.47Å
640	D	90.1	Very high	90.7	Very high	15 Å²	15	18 Å²	18	8%	0.08	10%	0.103	C	C	.	.			trans	-82.5	43.2	179.1	-159.3	-4.4	0	0	0	113.1	Q636 A637 G642 R643 F644 Y766	Q636-D640 VanDerWaalsContact O-CB 3.28Å; Q636-D640 WeakPolarHBondContact O-CB 3.48Å; Q636-D640 PolarHBondContact O-N 3.1Å; A637-D640 PolarHBondContact O-N 2.61Å; D640-G642 PolarHBondContact O-N 3.4Å; D640-R643 VanDerWaalsContact CG-NE 3.3Å; D640-R643 PolarHBondContact O-N 2.9Å; D640-R643 WeakPolarHBondContact OD1-CB 3.36Å; D640-R643 WeakPolarHBondContact OD1-CG 3.5Å; D640-R643 IonicContact OD1-CZ 3.53Å; D640-R643 IonicContact OD1-NE 3.59Å; D640-R643 PolarHBondContact OD1-NE 2.76Å; D640-R643 IonicContact OD1-NH2 2.87Å; D640-R643 IonicContact OD2-CZ 3.76Å; D640-R643 IonicContact OD2-NE 2.64Å; D640-R643 PolarHBondContact OD2-NE 2.86Å; D640-R643 IonicContact OD2-NH2 3.38Å; D640-R643 PolarHBondContact OD2-NH2 3.48Å; D640-F644 HydrophobicContact CB-CD2 4.27Å; D640-F644 PolarHBondContact O-N 3.18Å; D640-F644 VanDerWaalsContact O-N 3.1Å; D640-Y766 WeakPolarHBondContact OD2-CE2 3.17Å; D640-Y766 PolarHBondContact OD2-OH 2.85Å
641	F	91.5	Very high	90.5	Very high	15 Å²	15	18.2 Å²	18.2	7%	0.066	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-2.5	-176.8	62.9	-100	0	0	0	113.7	V639 F644 L793 Y926 Q928 K936 T947 A949	V639-F641 WeakPolarHBondContact O-CD1 3.25Å; V639-F641 PolarHBondContact O-N 2.85Å; F641-F644 CarbonylContact C-O 3.55Å; F641-F644 WeakPolarHBondContact CA-O 3.45Å; F641-L793 HydrophobicContact CE1-CD2 3.87Å; F641-L793 HydrophobicContact CZ-CD2 4.27Å; F641-Y926 HydrophobicContact CB-CD1 4.04Å; F641-Y926 HydrophobicContact CB-CE1 3.95Å; F641-Y926 HydrophobicContact CD1-CE1 4.43Å; F641-Y926 AromaticContact CD2-CD1 3.91Å; F641-Y926 HydrophobicContact CD2-CD1 3.91Å; F641-Y926 HydrophobicContact CD2-CE1 4.21Å; F641-Y926 HydrophobicContact CG-CD1 4.06Å; F641-Y926 AromaticContact CG-CE1 3.95Å; F641-Y926 HydrophobicContact CG-CE1 3.95Å; F641-Q928 WeakPolarHBondContact O-CG 3.41Å; F641-Q928 PolarHBondContact O-NE2 2.97Å; F641-K936 HydrophobicContact CD2-CB 4.44Å; F641-K936 HydrophobicContact CE1-CB 4.4Å; F641-K936 HydrophobicContact CE2-CB 3.82Å; F641-K936 HydrophobicContact CZ-CB 3.8Å; F641-T947 HydrophobicContact CE1-CG2 4.37Å; F641-T947 HydrophobicContact CZ-CG2 4.17Å; F641-A949 HydrophobicContact CD1-CB 4.42Å; F641-A949 HydrophobicContact CD2-CB 4.28Å; F641-A949 HydrophobicContact CE1-CB 3.9Å; F641-A949 HydrophobicContact CE2-CB 3.75Å; F641-A949 HydrophobicContact CZ-CB 3.53Å
642	G	90.6	Very high	90.3	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-45.1	172	0	0	0	0	0	112.7	D640 T671 G932	D640-G642 PolarHBondContact O-N 3.4Å; G642-T671 PolarHBondContact O-OG1 3.41Å; G642-G932 CarbonylContact C-O 3.58Å; G642-G932 VanDerWaalsContact CA-O 3.26Å; G642-G932 WeakPolarHBondContact CA-O 3.45Å; G642-G932 CarbonylContact O-C 3.57Å
643	R	90.7	Very high	89.8	Confident	41 Å²	41	26.1 Å²	26.1	16%	0.155	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-27.3	-179.5	-64.9	-172.7	-73.3	-173	-3.9	112.9	D640 S670 T671 E767 G932 P951	D640-R643 VanDerWaalsContact CG-NE 3.3Å; D640-R643 PolarHBondContact O-N 2.9Å; D640-R643 WeakPolarHBondContact OD1-CB 3.36Å; D640-R643 WeakPolarHBondContact OD1-CG 3.5Å; D640-R643 IonicContact OD1-CZ 3.53Å; D640-R643 IonicContact OD1-NE 3.59Å; D640-R643 PolarHBondContact OD1-NE 2.76Å; D640-R643 IonicContact OD1-NH2 2.87Å; D640-R643 IonicContact OD2-CZ 3.76Å; D640-R643 IonicContact OD2-NE 2.64Å; D640-R643 PolarHBondContact OD2-NE 2.86Å; D640-R643 IonicContact OD2-NH2 3.38Å; D640-R643 PolarHBondContact OD2-NH2 3.48Å; R643-S670 CarbonylContact O-C 3.26Å; R643-S670 VanDerWaalsContact O-CA 3.3Å; R643-S670 WeakPolarHBondContact O-CA 3.4Å; R643-T671 PolarHBondContact O-N 3.31Å; R643-T671 PolarHBondContact O-OG1 2.87Å; R643-E767 PolarHBondContact NH2-O 2.98Å; R643-E767 VanDerWaalsContact NH2-O 3.14Å; R643-G932 PolarHBondContact N-O 3.45Å; R643-P951 HydrophobicContact CG-CB 4.48Å
644	F	93	Very high	89.2	Confident	4 Å²	4	26.5 Å²	26.5	2%	0.018	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	148.1	-174.9	-65.4	-81.1	0	0	0	111.5	I628 P629 P631 D640 F641 V668 V669 Q680 Y766 Q928	I628-F644 HydrophobicContact CG2-CE1 4.26Å; I628-F644 HydrophobicContact CG2-CZ 4.15Å; P629-F644 WeakPolarHBondContact O-CZ 3.3Å; P631-F644 HydrophobicContact CG-CD2 3.99Å; P631-F644 HydrophobicContact CG-CE2 3.78Å; P631-F644 HydrophobicContact CG-CZ 4.26Å; D640-F644 HydrophobicContact CB-CD2 4.27Å; D640-F644 PolarHBondContact O-N 3.18Å; D640-F644 VanDerWaalsContact O-N 3.1Å; F641-F644 CarbonylContact C-O 3.55Å; F641-F644 WeakPolarHBondContact CA-O 3.45Å; F644-V668 HydrophobicContact CB-CB 4Å; F644-V668 HydrophobicContact CB-CG2 3.99Å; F644-V668 HydrophobicContact CD1-CB 4.45Å; F644-V668 HydrophobicContact CD1-CG2 3.79Å; F644-V668 HydrophobicContact CG-CG2 4.06Å; F644-V669 WeakPolarHBondContact CA-O 3.38Å; F644-Q680 HydrophobicContact CE1-CB 4.27Å; F644-Y766 HydrophobicContact CE2-CE2 4.35Å; F644-Q928 PolarHBondContact O-NE2 3.24Å
645	T	93	Very high	88.5	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	146.1	174.9	-168.9	0	0	0	0	110.3	V668 V669 T671 W717 L912 Q928	T645-V668 CarbonylContact O-C 3.49Å; T645-V668 WeakPolarHBondContact O-CA 3.25Å; T645-V669 PolarHBondContact N-O 3.28Å; T645-V669 PolarHBondContact O-N 3.18Å; T645-T671 HydrophobicContact CG2-CG2 3.95Å; T645-W717 HydrophobicContact CG2-CH2 2.97Å; T645-W717 HydrophobicContact CG2-CZ2 3.39Å; T645-W717 HydrophobicContact CG2-CZ3 3.73Å; T645-L912 HydrophobicContact CG2-CD2 3.98Å; T645-Q928 PolarHBondContact OG1-NE2 2.86Å; T645-Q928 PolarHBondContact OG1-OE1 2.81Å
646	P	93.4	Very high	88	Confident	18 Å²	18	29.1 Å²	29.1	12%	0.117	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	139.9	-176.9	-28.2	37.2	0	0	0	114	E651 C667 R905 Y914	P646-E651 HydrophobicContact CB-CB 4.34Å; P646-E651 HydrophobicContact CB-CG 3.86Å; P646-C667 WeakPolarHBondContact CA-O 3.45Å; P646-R905 PolarHBondContact O-NH2 2.67Å; P646-R905 VanDerWaalsContact O-NH2 3.07Å; P646-Y914 HydrophobicContact CG-CE1 4.28Å
647	L	92	Very high	87.5	Confident	16 Å²	16	29.6 Å²	29.6	8%	0.084	17%	0.174	C	C	.	.			trans	-72.8	124.2	169.9	-173.6	68.5	0	0	0	109.5	T649 C650 C667 V669	L647-T649 PolarHBondContact O-N 2.8Å; L647-T649 VanDerWaalsContact O-N 3.08Å; L647-C650 CarbonylContact O-C 3.59Å; L647-C650 PolarHBondContact O-N 2.91Å; L647-C667 HydrophobicContact CB-CB 4.24Å; L647-C667 HydrophobicContact CD2-CB 4.47Å; L647-C667 PolarHBondContact N-O 2.71Å; L647-V669 HydrophobicContact CB-CG2 4.18Å; L647-V669 HydrophobicContact CD1-CG2 3.77Å; L647-V669 HydrophobicContact CG-CG2 4.47Å
648	P	86.7	Confident	87.2	Confident	32 Å²	32	29.6 Å²	29.6	21%	0.208	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-29.2	-172.9	-24.7	30.9	0	0	0	115.7	L457	L457-P648 HydrophobicContact CD2-CG 3.8Å
649	T	85.3	Confident	86.8	Confident	57 Å²	57	28 Å²	28	35%	0.35	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-1.2	-177.9	52.5	0	0	0	0	113.7	L647 D655 C658	L647-T649 PolarHBondContact O-N 2.8Å; L647-T649 VanDerWaalsContact O-N 3.08Å; T649-D655 CarbonylContact C-O 3.6Å; T649-C658 WeakPolarHBondContact O-CA 3.31Å; T649-C658 PolarHBondContact O-N 2.85Å
650	C	90.7	Very high	86.7	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.16	C	C	.	.	S	Bend	trans	-150.7	70.1	176.9	-167	0	0	0	0	110.8	L647 D655 C658 C667	L647-C650 CarbonylContact O-C 3.59Å; L647-C650 PolarHBondContact O-N 2.91Å; C650-D655 CarbonylContact C-O 3.59Å; C650-D655 VanDerWaalsContact CA-O 3.26Å; C650-D655 WeakPolarHBondContact CA-O 3.15Å; C650-D655 PolarHBondContact N-O 2.9Å; C650-C658 WeakPolarHBondContact CA-SG 3.42Å; C650-C658 HydrophobicContact CB-CB 3.8Å; C650-C658 WeakPolarHBondContact CB-SG 3.44Å; C650-C658 WeakPolarHBondContact SG-CB 3.45Å; C650-C658 CovalentContact SG-SG 2.03Å; C650-C658 PolarHBondContact SG-SG 3.22Å; C650-C667 HydrophobicContact CB-CB 4.09Å; C650-C667 PolarHBondContact O-N 2.85Å; C650-C667 PolarHBondContact SG-SG 3.08Å
651	E	89.9	Confident	86.7	Confident	4 Å²	4	27.9 Å²	27.9	2%	0.019	16%	0.158	C	C	.	.			trans	-125.5	124.7	-176	-177.1	-176.6	155	0	0	110.5	P646 M653 G654 D655 R905 Y914	P646-E651 HydrophobicContact CB-CB 4.34Å; P646-E651 HydrophobicContact CB-CG 3.86Å; E651-M653 PolarHBondContact O-N 2.59Å; E651-G654 CarbonylContact O-C 3.55Å; E651-G654 VanDerWaalsContact O-C 3.31Å; E651-G654 PolarHBondContact O-N 2.84Å; E651-D655 PolarHBondContact N-O 2.88Å; E651-D655 CarbonylContact O-C 3.3Å; E651-R905 IonicContact OE2-CZ 3.65Å; E651-R905 IonicContact OE2-NH1 2.63Å; E651-R905 IonicContact OE2-NH2 3.96Å; E651-R905 PolarHBondContact OE2-NH2 3.49Å; E651-Y914 VanDerWaalsContact CD-OH 3.27Å; E651-Y914 PolarHBondContact OE1-OH 2.9Å
652	M	87.3	Confident	86.5	Confident	74 Å²	74	29.6 Å²	29.6	37%	0.365	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-29.1	-178.3	74.6	176.8	75.7	0	0	113.2	L634 Q665 H666	L634-M652 HydrophobicContact CD1-CE 3.74Å; L634-M652 HydrophobicContact CD2-CE 3.72Å; L634-M652 HydrophobicContact CG-CE 4.02Å; M652-Q665 HydrophobicContact CB-CG 4.36Å; M652-H666 HydrophobicContact CE-CB 3.76Å; M652-H666 PolarHBondContact N-ND1 2.97Å
653	M	76.9	Confident	86.3	Confident	95 Å²	95	30.9 Å²	30.9	47%	0.468	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	19.2	176.5	-63.5	-60.4	-69.5	0	0	112.2	E651 L918	E651-M653 PolarHBondContact O-N 2.59Å; M653-L918 HydrophobicContact CB-CD1 4.47Å; M653-L918 HydrophobicContact CE-CD1 4.22Å; M653-L918 WeakPolarHBondContact O-CD1 3.18Å; M653-L918 WeakPolarHBondContact O-CG 3.37Å; M653-L918 PolarHBondContact O-N 3.36Å
654	G	79.1	Confident	86.4	Confident	25 Å²	25	29.1 Å²	29.1	26%	0.258	17%	0.173	S	C	.	.	S	Bend	trans	-151.5	-127.6	-174.5	0	0	0	0	0	111.4	E651 S656	E651-G654 CarbonylContact O-C 3.55Å; E651-G654 VanDerWaalsContact O-C 3.31Å; E651-G654 PolarHBondContact O-N 2.84Å; G654-S656 PolarHBondContact O-N 2.77Å
655	D	77.8	Confident	86.3	Confident	63 Å²	63	32 Å²	32	34%	0.337	19%	0.186	S	C	.	.			trans	-83.8	111.5	173.9	-177.6	20.5	0	0	0	110.8	R477 T649 C650 E651 S657	R477-D655 IonicContact NH1-OD1 3.89Å; T649-D655 CarbonylContact C-O 3.6Å; C650-D655 CarbonylContact C-O 3.59Å; C650-D655 VanDerWaalsContact CA-O 3.26Å; C650-D655 WeakPolarHBondContact CA-O 3.15Å; C650-D655 PolarHBondContact N-O 2.9Å; E651-D655 PolarHBondContact N-O 2.88Å; E651-D655 CarbonylContact O-C 3.3Å; D655-S657 VanDerWaalsContact C-N 3.32Å; D655-S657 VanDerWaalsContact CG-OG 3.25Å; D655-S657 WeakPolarHBondContact OD1-CB 3.45Å; D655-S657 PolarHBondContact OD1-N 2.65Å; D655-S657 PolarHBondContact OD1-OG 3.06Å; D655-S657 PolarHBondContact OD2-OG 2.98Å
656	S	79.5	Confident	86.4	Confident	77 Å²	77	32.5 Å²	32.5	54%	0.538	19%	0.188	S	C	.	.			trans	-93.5	19.9	176.1	70.7	0	0	0	0	113	G654	G654-S656 PolarHBondContact O-N 2.77Å
657	S	78.2	Confident	86.5	Confident	11 Å²	11	31.6 Å²	31.6	8%	0.077	18%	0.183	C	C	.	.			trans	-70.9	-31.5	-178.6	72.5	0	0	0	0	113.7	D655 I659 K662	D655-S657 VanDerWaalsContact C-N 3.32Å; D655-S657 VanDerWaalsContact CG-OG 3.25Å; D655-S657 WeakPolarHBondContact OD1-CB 3.45Å; D655-S657 PolarHBondContact OD1-N 2.65Å; D655-S657 PolarHBondContact OD1-OG 3.06Å; D655-S657 PolarHBondContact OD2-OG 2.98Å; S657-I659 VanDerWaalsContact C-N 3.34Å; S657-I659 PolarHBondContact O-N 2.86Å; S657-I659 WeakPolarHBondContact OG-CG2 3.34Å; S657-K662 PolarHBondContact O-NZ 3.47Å
658	C	86.6	Confident	86.7	Confident	3 Å²	3	31 Å²	31	2%	0.02	18%	0.179	C	C	.	.			trans	47.7	51.2	173.5	-57.4	0	0	0	0	112.9	T649 C650 Y660 T661 K662 A664	T649-C658 WeakPolarHBondContact O-CA 3.31Å; T649-C658 PolarHBondContact O-N 2.85Å; C650-C658 WeakPolarHBondContact CA-SG 3.42Å; C650-C658 HydrophobicContact CB-CB 3.8Å; C650-C658 WeakPolarHBondContact CB-SG 3.44Å; C650-C658 WeakPolarHBondContact SG-CB 3.45Å; C650-C658 CovalentContact SG-SG 2.03Å; C650-C658 PolarHBondContact SG-SG 3.22Å; C658-Y660 VanDerWaalsContact C-N 3.28Å; C658-Y660 PolarHBondContact O-N 2.81Å; C658-Y660 VanDerWaalsContact O-N 3.15Å; C658-T661 WeakPolarHBondContact CB-O 3.29Å; C658-T661 CarbonylContact O-C 3.6Å; C658-T661 VanDerWaalsContact O-C 3.3Å; C658-T661 PolarHBondContact O-N 2.85Å; C658-K662 PolarHBondContact O-N 3.39Å; C658-A664 PolarHBondContact SG-O 2.8Å
659	I	81.1	Confident	87	Confident	22 Å²	22	29.5 Å²	29.5	11%	0.113	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-31.2	-166.8	63.5	171.6	0	0	0	115.2	Y481 S657	Y481-I659 HydrophobicContact CE2-CD1 4.32Å; Y481-I659 VanDerWaalsContact OH-CD1 3.31Å; Y481-I659 WeakPolarHBondContact OH-CD1 3.39Å; S657-I659 VanDerWaalsContact C-N 3.34Å; S657-I659 PolarHBondContact O-N 2.86Å; S657-I659 WeakPolarHBondContact OG-CG2 3.34Å
660	Y	87.3	Confident	87.4	Confident	24 Å²	24	26.8 Å²	26.8	9%	0.094	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-8	179.1	-76.2	-74.3	0	0	0	112.4	Y481 C658 S707 L738 F741 D742	Y481-Y660 WeakPolarHBondContact CE1-OH 3.28Å; C658-Y660 VanDerWaalsContact C-N 3.28Å; C658-Y660 PolarHBondContact O-N 2.81Å; C658-Y660 VanDerWaalsContact O-N 3.15Å; Y660-S707 WeakPolarHBondContact O-CB 3.05Å; Y660-S707 PolarHBondContact O-OG 3.34Å; Y660-L738 HydrophobicContact CD1-CD2 4.4Å; Y660-L738 HydrophobicContact CD2-CD2 4.08Å; Y660-L738 HydrophobicContact CE1-CB 4.39Å; Y660-L738 HydrophobicContact CE2-CD1 4.16Å; Y660-L738 HydrophobicContact CE2-CD2 4.23Å; Y660-L738 HydrophobicContact CG-CD2 4.2Å; Y660-F741 HydrophobicContact CD1-CB 4.48Å; Y660-F741 AromaticContact CD1-CD1 3.48Å; Y660-F741 HydrophobicContact CD1-CD1 3.48Å; Y660-F741 VanDerWaalsContact CD1-CD1 3.48Å; Y660-F741 AromaticContact CD1-CE1 3.81Å; Y660-F741 HydrophobicContact CD1-CE1 3.81Å; Y660-F741 HydrophobicContact CD1-CG 4.06Å; Y660-F741 AromaticContact CE1-CD1 3.86Å; Y660-F741 HydrophobicContact CE1-CD1 3.86Å; Y660-F741 HydrophobicContact CE1-CE1 4.46Å; Y660-D742 PolarHBondContact OH-OD2 2.91Å
661	T	90.3	Very high	87.3	Confident	4 Å²	4	27.4 Å²	27.4	3%	0.025	16%	0.157	C	C	.	.	S	Bend	trans	-138.6	53.8	-168.3	57.2	0	0	0	0	110.4	C658 A664 C683 S707	C658-T661 WeakPolarHBondContact CB-O 3.29Å; C658-T661 CarbonylContact O-C 3.6Å; C658-T661 VanDerWaalsContact O-C 3.3Å; C658-T661 PolarHBondContact O-N 2.85Å; T661-A664 WeakPolarHBondContact O-CB 3.27Å; T661-A664 PolarHBondContact O-N 3.31Å; T661-A664 VanDerWaalsContact O-N 3.15Å; T661-C683 WeakPolarHBondContact CB-SG 3.31Å; T661-C683 WeakPolarHBondContact CG2-SG 3.13Å; T661-S707 CarbonylContact C-O 3.59Å; T661-S707 VanDerWaalsContact CA-O 3.27Å; T661-S707 WeakPolarHBondContact CA-O 3.32Å
662	K	87.4	Confident	87.1	Confident	52 Å²	52	31.3 Å²	31.3	23%	0.226	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	146.1	-179.4	-67.9	-61	-173.5	-177.8	0	111.5	S657 C658 A664 M691 L703 F706 S707	S657-K662 PolarHBondContact O-NZ 3.47Å; C658-K662 PolarHBondContact O-N 3.39Å; K662-A664 PolarHBondContact O-N 2.88Å; K662-M691 WeakPolarHBondContact O-CE 3.43Å; K662-L703 WeakPolarHBondContact CB-O 3.45Å; K662-L703 WeakPolarHBondContact CG-O 3.47Å; K662-F706 CarbonylContact O-C 3.54Å; K662-F706 VanDerWaalsContact O-CA 3.24Å; K662-F706 WeakPolarHBondContact O-CA 3.26Å; K662-S707 PolarHBondContact O-N 3.23Å
663	G	86.4	Confident	87.1	Confident	26 Å²	26	29.7 Å²	29.7	27%	0.268	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.7	-16.6	-171.7	0	0	0	0	0	114.2	Y705	G663-Y705 VanDerWaalsContact CA-O 3.24Å; G663-Y705 WeakPolarHBondContact CA-O 3.24Å; G663-Y705 PolarHBondContact N-O 2.85Å
664	A	92.1	Very high	87.6	Confident	5 Å²	5	25.4 Å²	25.4	4%	0.041	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	142.1	171.9	0	0	0	0	0	111.5	C658 T661 K662 C683 Y684 M691	C658-A664 PolarHBondContact SG-O 2.8Å; T661-A664 WeakPolarHBondContact O-CB 3.27Å; T661-A664 PolarHBondContact O-N 3.31Å; T661-A664 VanDerWaalsContact O-N 3.15Å; K662-A664 PolarHBondContact O-N 2.88Å; A664-C683 HydrophobicContact CB-CB 3.82Å; A664-Y684 CarbonylContact C-O 3.33Å; A664-Y684 VanDerWaalsContact CA-O 3.29Å; A664-Y684 WeakPolarHBondContact CA-O 3.37Å; A664-M691 HydrophobicContact CB-SD 3.64Å
665	Q	91.7	Very high	87.7	Confident	63 Å²	63	31.6 Å²	31.6	29%	0.294	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	-34.2	166.7	-174.1	-176	31.5	0	0	111.1	M652 Y684 F686	M652-Q665 HydrophobicContact CB-CG 4.36Å; Q665-Y684 PolarHBondContact N-O 3.42Å; Q665-F686 HydrophobicContact CB-CD1 3.79Å; Q665-F686 HydrophobicContact CB-CE1 3.94Å; Q665-F686 HydrophobicContact CB-CG 4.21Å; Q665-F686 HydrophobicContact CB-CZ 4.47Å; Q665-F686 HydrophobicContact CG-CD1 3.91Å; Q665-F686 HydrophobicContact CG-CE1 3.97Å
666	H	95.1	Very high	87.8	Confident	11 Å²	11	31 Å²	31	5%	0.051	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	137.6	-175.1	-167.5	63.1	0	0	0	111.2	L634 M652 Y684	L634-H666 HydrophobicContact CD1-CB 3.74Å; L634-H666 VanDerWaalsContact CD1-CD2 3.44Å; L634-H666 WeakPolarHBondContact CD1-CD2 3.48Å; L634-H666 HydrophobicContact CD2-CB 4.48Å; M652-H666 HydrophobicContact CE-CB 3.76Å; M652-H666 PolarHBondContact N-ND1 2.97Å; H666-Y684 PolarHBondContact N-O 2.98Å; H666-Y684 PolarHBondContact O-N 2.92Å
667	C	96	Very high	88	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	145.2	172.9	-53.5	0	0	0	0	111.1	P646 L647 C650 M681 C682 C683	P646-C667 WeakPolarHBondContact CA-O 3.45Å; L647-C667 HydrophobicContact CB-CB 4.24Å; L647-C667 HydrophobicContact CD2-CB 4.47Å; L647-C667 PolarHBondContact N-O 2.71Å; C650-C667 HydrophobicContact CB-CB 4.09Å; C650-C667 PolarHBondContact O-N 2.85Å; C650-C667 PolarHBondContact SG-SG 3.08Å; C667-M681 HydrophobicContact CB-CE 3.56Å; C667-C682 CarbonylContact C-O 3.28Å; C667-C682 WeakPolarHBondContact CA-O 3.44Å; C667-C683 HydrophobicContact CB-CB 4.14Å; C667-C683 WeakPolarHBondContact CB-SG 3.29Å; C667-C683 VanDerWaalsContact SG-CA 3.59Å; C667-C683 WeakPolarHBondContact SG-CB 3.29Å; C667-C683 CovalentContact SG-SG 2.03Å; C667-C683 PolarHBondContact SG-SG 3.48Å
668	V	95	Very high	88.5	Confident	3 Å²	3	26.8 Å²	26.8	2%	0.018	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	148.4	178.4	-57.9	0	0	0	0	110.5	A637 F644 T645 M681 C682 Y684	A637-V668 HydrophobicContact CB-CG1 4.24Å; A637-V668 HydrophobicContact CB-CG2 4.26Å; F644-V668 HydrophobicContact CB-CB 4Å; F644-V668 HydrophobicContact CB-CG2 3.99Å; F644-V668 HydrophobicContact CD1-CB 4.45Å; F644-V668 HydrophobicContact CD1-CG2 3.79Å; F644-V668 HydrophobicContact CG-CG2 4.06Å; T645-V668 CarbonylContact O-C 3.49Å; T645-V668 WeakPolarHBondContact O-CA 3.25Å; V668-M681 CarbonylContact O-C 3.59Å; V668-M681 VanDerWaalsContact O-CA 3.31Å; V668-M681 WeakPolarHBondContact O-CA 3.25Å; V668-C682 HydrophobicContact CG2-CB 4.03Å; V668-C682 PolarHBondContact N-O 3.07Å; V668-C682 PolarHBondContact O-N 3.25Å; V668-Y684 HydrophobicContact CG2-CE2 4.12Å
669	V	94.4	Very high	88.8	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	142.1	174.9	177.9	0	0	0	0	108.7	F644 T645 L647 T671 T679 Q680 M681 P716 W717	F644-V669 WeakPolarHBondContact CA-O 3.38Å; T645-V669 PolarHBondContact N-O 3.28Å; T645-V669 PolarHBondContact O-N 3.18Å; L647-V669 HydrophobicContact CB-CG2 4.18Å; L647-V669 HydrophobicContact CD1-CG2 3.77Å; L647-V669 HydrophobicContact CG-CG2 4.47Å; V669-T671 PolarHBondContact O-N 2.8Å; V669-T679 HydrophobicContact CG1-CG2 4.43Å; V669-Q680 CarbonylContact C-O 3.56Å; V669-Q680 VanDerWaalsContact CA-O 3.27Å; V669-Q680 WeakPolarHBondContact CA-O 3.2Å; V669-Q680 WeakPolarHBondContact CG1-O 3.35Å; V669-M681 HydrophobicContact CG2-CB 3.89Å; V669-M681 HydrophobicContact CG2-CG 3.69Å; V669-P716 HydrophobicContact CG1-CG 4.46Å; V669-W717 HydrophobicContact CB-CH2 3.44Å; V669-W717 VanDerWaalsContact CB-CH2 3.44Å; V669-W717 HydrophobicContact CB-CZ2 3.85Å; V669-W717 HydrophobicContact CB-CZ3 4.34Å; V669-W717 HydrophobicContact CG1-CH2 3.46Å; V669-W717 VanDerWaalsContact CG1-CH2 3.46Å; V669-W717 HydrophobicContact CG1-CZ2 4.04Å; V669-W717 HydrophobicContact CG1-CZ3 3.89Å
670	S	92.5	Very high	89.4	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	132.8	178.7	52.3	0	0	0	0	112.2	R643 R672 T679 Q680 N715 W717	R643-S670 CarbonylContact O-C 3.26Å; R643-S670 VanDerWaalsContact O-CA 3.3Å; R643-S670 WeakPolarHBondContact O-CA 3.4Å; S670-R672 PolarHBondContact O-N 2.88Å; S670-R672 VanDerWaalsContact O-N 3.15Å; S670-R672 PolarHBondContact OG-O 3.46Å; S670-R672 VanDerWaalsContact OG-O 3.09Å; S670-T679 PolarHBondContact OG-OG1 2.78Å; S670-Q680 PolarHBondContact N-O 3.01Å; S670-Q680 PolarHBondContact OG-N 2.84Å; S670-N715 PolarHBondContact O-ND2 2.84Å; S670-W717 VanDerWaalsContact O-CZ3 3.22Å; S670-W717 WeakPolarHBondContact O-CZ3 3.26Å
671	T	88.1	Confident	89.7	Confident	13 Å²	13	24.5 Å²	24.5	8%	0.08	13%	0.128	C	C	.	.	S	Bend	trans	-63.1	-19.6	-178.9	54.8	0	0	0	0	113.4	G642 R643 T645 V669 Q928	G642-T671 PolarHBondContact O-OG1 3.41Å; R643-T671 PolarHBondContact O-N 3.31Å; R643-T671 PolarHBondContact O-OG1 2.87Å; T645-T671 HydrophobicContact CG2-CG2 3.95Å; V669-T671 PolarHBondContact O-N 2.8Å; T671-Q928 HydrophobicContact CG2-CB 4.06Å
672	R	86.3	Confident	90	Very high	87 Å²	87	24.3 Å²	24.3	33%	0.328	13%	0.127	S	C	.	.	S	Bend	trans	-117	155.2	176.3	71.6	-179	-171.4	161.7	2.8	111.7	E627 I628 S670 N930	E627-R672 PolarHBondContact O-NH2 3.37Å; I628-R672 HydrophobicContact CD1-CG 3.95Å; S670-R672 PolarHBondContact O-N 2.88Å; S670-R672 VanDerWaalsContact O-N 3.15Å; S670-R672 PolarHBondContact OG-O 3.46Å; S670-R672 VanDerWaalsContact OG-O 3.09Å; R672-N930 WeakPolarHBondContact CB-O 3.21Å; R672-N930 WeakPolarHBondContact CD-O 3.44Å
673	S	87	Confident	90.4	Very high	39 Å²	39	21.8 Å²	21.8	27%	0.273	12%	0.116	S	C	.	.			trans	-107.2	156.2	166.3	54.6	0	0	0	0	111.2	G678	S673-G678 WeakPolarHBondContact CA-O 3.12Å
674	T	88.1	Confident	90.7	Very high	5 Å²	5	20.6 Å²	20.6	3%	0.031	10%	0.103	C	C	.	.			trans	-71.6	168.6	168.3	63.7	0	0	0	0	110.8	I628 E676 S677 G678	I628-T674 HydrophobicContact CD1-CG2 4.07Å; T674-E676 PolarHBondContact O-N 3.39Å; T674-E676 VanDerWaalsContact O-N 3.09Å; T674-S677 WeakPolarHBondContact O-CA 3.48Å; T674-S677 PolarHBondContact O-N 2.98Å; T674-G678 PolarHBondContact N-O 2.87Å; T674-G678 WeakPolarHBondContact OG1-CA 3.33Å; T674-G678 PolarHBondContact OG1-N 3.18Å; T674-G678 VanDerWaalsContact OG1-N 3.08Å; T674-G678 PolarHBondContact OG1-O 2.87Å
675	L	80.4	Confident	90.7	Very high	155 Å²	155	21.5 Å²	21.5	81%	0.812	11%	0.107	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-20.2	174.4	-103.3	110.5	0	0	0	114.3	S677 Y727	L675-S677 VanDerWaalsContact C-N 3.31Å; L675-Y727 PolarHBondContact O-OH 3.07Å
676	E	80	Confident	90.6	Very high	50 Å²	50	25.2 Å²	25.2	23%	0.234	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	16.8	177	-70.1	166.5	-161.1	0	0	111.6	F620 K623 T674 G678	F620-E676 WeakPolarHBondContact CA-OE2 3.45Å; F620-E676 HydrophobicContact CB-CB 4.34Å; K623-E676 WeakPolarHBondContact CD-OE1 3.42Å; K623-E676 VanDerWaalsContact CE-OE1 3.32Å; K623-E676 WeakPolarHBondContact CE-OE1 3.35Å; K623-E676 IonicContact NZ-OE1 2.82Å; K623-E676 PolarHBondContact NZ-OE1 3.04Å; T674-E676 PolarHBondContact O-N 3.39Å; T674-E676 VanDerWaalsContact O-N 3.09Å; E676-G678 PolarHBondContact O-N 2.91Å; E676-G678 VanDerWaalsContact O-N 3.12Å
677	S	83.6	Confident	90.4	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.152	C	C	.	.			trans	67	-5.8	-173.6	-157.2	0	0	0	0	115.8	T674 L675 T679 R713 L726	T674-S677 WeakPolarHBondContact O-CA 3.48Å; T674-S677 PolarHBondContact O-N 2.98Å; L675-S677 VanDerWaalsContact C-N 3.31Å; S677-T679 PolarHBondContact O-N 2.88Å; S677-R713 CarbonylContact C-O 3.58Å; S677-R713 WeakPolarHBondContact CB-O 3.31Å; S677-R713 VanDerWaalsContact O-O 3.07Å; S677-L726 PolarHBondContact OG-O 2.56Å
678	G	89	Confident	90.2	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.157	C	C	.	.			trans	-55.9	132.2	179.1	0	0	0	0	0	113	S673 T674 E676 Y712 R713	S673-G678 WeakPolarHBondContact CA-O 3.12Å; T674-G678 PolarHBondContact N-O 2.87Å; T674-G678 WeakPolarHBondContact OG1-CA 3.33Å; T674-G678 PolarHBondContact OG1-N 3.18Å; T674-G678 VanDerWaalsContact OG1-N 3.08Å; T674-G678 PolarHBondContact OG1-O 2.87Å; E676-G678 PolarHBondContact O-N 2.91Å; E676-G678 VanDerWaalsContact O-N 3.12Å; G678-Y712 WeakPolarHBondContact CA-O 3.4Å; G678-R713 PolarHBondContact N-O 2.92Å
679	T	92.7	Very high	90	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-133	151.3	-179.7	-165	0	0	0	0	109.8	V669 S670 S677 P711 Y712 N715	V669-T679 HydrophobicContact CG1-CG2 4.43Å; S670-T679 PolarHBondContact OG-OG1 2.78Å; S677-T679 PolarHBondContact O-N 2.88Å; T679-P711 WeakPolarHBondContact O-CA 3.44Å; T679-Y712 HydrophobicContact CG2-CD2 4.36Å; T679-Y712 HydrophobicContact CG2-CG 4.45Å; T679-Y712 PolarHBondContact N-O 3.15Å; T679-Y712 PolarHBondContact O-N 3.37Å; T679-N715 HydrophobicContact CG2-CB 4.13Å; T679-N715 PolarHBondContact OG1-ND2 2.97Å; T679-N715 VanDerWaalsContact OG1-ND2 3.12Å
680	Q	93.6	Very high	89.9	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.169	C	C	.	.			trans	-89.2	144.7	169.9	-72.7	-62.3	-3.7	0	0	111.4	T624 I628 F644 V669 S670 S761	T624-Q680 HydrophobicContact CG2-CG 4.07Å; I628-Q680 HydrophobicContact CB-CG 3.89Å; I628-Q680 HydrophobicContact CG2-CB 3.95Å; I628-Q680 HydrophobicContact CG2-CG 3.59Å; I628-Q680 VanDerWaalsContact O-CD 3.24Å; I628-Q680 WeakPolarHBondContact O-CG 3.38Å; I628-Q680 PolarHBondContact O-NE2 3.09Å; F644-Q680 HydrophobicContact CE1-CB 4.27Å; V669-Q680 CarbonylContact C-O 3.56Å; V669-Q680 VanDerWaalsContact CA-O 3.27Å; V669-Q680 WeakPolarHBondContact CA-O 3.2Å; V669-Q680 WeakPolarHBondContact CG1-O 3.35Å; S670-Q680 PolarHBondContact N-O 3.01Å; S670-Q680 PolarHBondContact OG-N 2.84Å; Q680-S761 PolarHBondContact NE2-OG 3.34Å; Q680-S761 VanDerWaalsContact NE2-OG 3.13Å
681	M	95	Very high	89.9	Confident	1 Å²	1	34.8 Å²	34.8	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	111.6	167.6	175.4	-78.3	105.5	0	0	106.5	C667 V668 V669 C683 G709 V710 Y712	C667-M681 HydrophobicContact CB-CE 3.56Å; V668-M681 CarbonylContact O-C 3.59Å; V668-M681 VanDerWaalsContact O-CA 3.31Å; V668-M681 WeakPolarHBondContact O-CA 3.25Å; V669-M681 HydrophobicContact CG2-CB 3.89Å; V669-M681 HydrophobicContact CG2-CG 3.69Å; M681-C683 HydrophobicContact CE-CB 4.04Å; M681-C683 WeakPolarHBondContact CE-SG 3.4Å; M681-G709 CarbonylContact O-C 3.57Å; M681-V710 WeakPolarHBondContact CB-O 3.3Å; M681-V710 CarbonylContact O-C 3.36Å; M681-V710 PolarHBondContact O-N 3.08Å; M681-Y712 HydrophobicContact CB-CD2 3.87Å; M681-Y712 HydrophobicContact CB-CE2 3.79Å; M681-Y712 HydrophobicContact CB-CG 4.41Å; M681-Y712 HydrophobicContact CG-CD2 4.13Å; M681-Y712 HydrophobicContact CG-CE2 3.52Å; M681-Y712 HydrophobicContact SD-CE2 4.41Å
682	C	94.9	Very high	89.9	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	131.6	-174.5	-41.6	0	0	0	0	109.4	C630 C667 V668 Y684 L690	C630-C682 WeakPolarHBondContact CA-SG 3.44Å; C630-C682 HydrophobicContact CB-CB 3.81Å; C630-C682 WeakPolarHBondContact CB-SG 3.5Å; C630-C682 WeakPolarHBondContact SG-CB 3.48Å; C630-C682 CovalentContact SG-SG 2.03Å; C630-C682 PolarHBondContact SG-SG 3.19Å; C667-C682 CarbonylContact C-O 3.28Å; C667-C682 WeakPolarHBondContact CA-O 3.44Å; V668-C682 HydrophobicContact CG2-CB 4.03Å; V668-C682 PolarHBondContact N-O 3.07Å; V668-C682 PolarHBondContact O-N 3.25Å; C682-Y684 HydrophobicContact CB-CE2 4.28Å; C682-L690 HydrophobicContact CB-CD1 3.92Å
683	C	95.4	Very high	90	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	146.4	177.9	-76.9	0	0	0	0	111.3	T661 A664 C667 M681 M691	T661-C683 WeakPolarHBondContact CB-SG 3.31Å; T661-C683 WeakPolarHBondContact CG2-SG 3.13Å; A664-C683 HydrophobicContact CB-CB 3.82Å; C667-C683 HydrophobicContact CB-CB 4.14Å; C667-C683 WeakPolarHBondContact CB-SG 3.29Å; C667-C683 VanDerWaalsContact SG-CA 3.59Å; C667-C683 WeakPolarHBondContact SG-CB 3.29Å; C667-C683 CovalentContact SG-SG 2.03Å; C667-C683 PolarHBondContact SG-SG 3.48Å; M681-C683 HydrophobicContact CE-CB 4.04Å; M681-C683 WeakPolarHBondContact CE-SG 3.4Å; C683-M691 HydrophobicContact CB-SD 4.14Å; C683-M691 PolarHBondContact O-N 3.05Å
684	Y	94.2	Very high	89.8	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	137.1	179.3	-54.7	-85.4	0	0	0	110.5	P631 L634 A637 A664 Q665 H666 V668 C682 W689 L690	P631-Y684 WeakPolarHBondContact CB-OH 3.28Å; P631-Y684 WeakPolarHBondContact CD-OH 3.11Å; P631-Y684 WeakPolarHBondContact O-CE1 3.34Å; P631-Y684 PolarHBondContact O-OH 2.9Å; L634-Y684 HydrophobicContact CB-CD1 4.11Å; L634-Y684 HydrophobicContact CB-CD2 4.36Å; L634-Y684 HydrophobicContact CB-CG 3.84Å; L634-Y684 HydrophobicContact CD1-CD2 3.84Å; L634-Y684 HydrophobicContact CD1-CG 4.1Å; A637-Y684 HydrophobicContact CB-CD2 4.42Å; A637-Y684 HydrophobicContact CB-CE2 3.53Å; A664-Y684 CarbonylContact C-O 3.33Å; A664-Y684 VanDerWaalsContact CA-O 3.29Å; A664-Y684 WeakPolarHBondContact CA-O 3.37Å; Q665-Y684 PolarHBondContact N-O 3.42Å; H666-Y684 PolarHBondContact N-O 2.98Å; H666-Y684 PolarHBondContact O-N 2.92Å; V668-Y684 HydrophobicContact CG2-CE2 4.12Å; C682-Y684 HydrophobicContact CB-CE2 4.28Å; Y684-W689 VanDerWaalsContact CA-O 3.23Å; Y684-W689 WeakPolarHBondContact CA-O 3.49Å; Y684-L690 HydrophobicContact CD1-CB 4.3Å; Y684-L690 HydrophobicContact CE1-CB 4.02Å; Y684-L690 HydrophobicContact CE1-CD1 4.02Å
685	D	91.6	Very high	89.4	Confident	24 Å²	24	32.2 Å²	32.2	13%	0.128	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	179.6	174.4	74.1	6.4	0	0	0	111.8	N687 G688 W689 M691	D685-N687 PolarHBondContact O-N 2.88Å; D685-N687 WeakPolarHBondContact OD1-CA 3.02Å; D685-N687 WeakPolarHBondContact OD1-CB 3.47Å; D685-N687 PolarHBondContact OD1-N 3.12Å; D685-G688 PolarHBondContact O-N 3.32Å; D685-G688 PolarHBondContact OD1-N 3.31Å; D685-W689 PolarHBondContact N-O 3.17Å; D685-W689 PolarHBondContact OD1-N 2.86Å; D685-M691 HydrophobicContact CB-CG 4.13Å; D685-M691 HydrophobicContact CB-SD 4.33Å
686	F	90	Very high	89.4	Confident	141 Å²	141	26.3 Å²	26.3	62%	0.618	13%	0.126	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-13.9	178.8	-68.9	-84.5	0	0	0	114.6	Q665	Q665-F686 HydrophobicContact CB-CD1 3.79Å; Q665-F686 HydrophobicContact CB-CE1 3.94Å; Q665-F686 HydrophobicContact CB-CG 4.21Å; Q665-F686 HydrophobicContact CB-CZ 4.47Å; Q665-F686 HydrophobicContact CG-CD1 3.91Å; Q665-F686 HydrophobicContact CG-CE1 3.97Å
687	N	91.5	Very high	89.2	Confident	123 Å²	123	25.9 Å²	25.9	66%	0.658	12%	0.124	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-5.1	173.6	-60.4	-50.9	0	0	0	112	D685 W689	D685-N687 PolarHBondContact O-N 2.88Å; D685-N687 WeakPolarHBondContact OD1-CA 3.02Å; D685-N687 WeakPolarHBondContact OD1-CB 3.47Å; D685-N687 PolarHBondContact OD1-N 3.12Å; N687-W689 VanDerWaalsContact CB-CD1 3.5Å; N687-W689 HydrophobicContact CB-CG 4.47Å
688	G	91.6	Very high	88.6	Confident	10 Å²	10	30.2 Å²	30.2	10%	0.103	14%	0.143	C	C	.	.	S	Bend	trans	87.4	15.8	179.8	0	0	0	0	0	114.8	T633 L634 D685	T633-G688 CarbonylContact C-O 3.57Å; T633-G688 WeakPolarHBondContact CA-O 3.48Å; L634-G688 PolarHBondContact N-O 2.6Å; D685-G688 PolarHBondContact O-N 3.32Å; D685-G688 PolarHBondContact OD1-N 3.31Å
689	W	91	Very high	87.7	Confident	69 Å²	69	33.2 Å²	33.2	26%	0.261	16%	0.159	S	C	.	.	B	Isolated β-bridge	trans	-93.1	141.1	180	-54.2	123.2	0	0	0	112.4	T633 Y684 D685 N687 M691 N1158 L1161	T633-W689 HydrophobicContact CG2-CE3 4.03Å; T633-W689 HydrophobicContact CG2-CZ3 3.74Å; Y684-W689 VanDerWaalsContact CA-O 3.23Å; Y684-W689 WeakPolarHBondContact CA-O 3.49Å; D685-W689 PolarHBondContact N-O 3.17Å; D685-W689 PolarHBondContact OD1-N 2.86Å; N687-W689 VanDerWaalsContact CB-CD1 3.5Å; N687-W689 HydrophobicContact CB-CG 4.47Å; W689-M691 PolarHBondContact O-N 2.96Å; W689-N1158 HydrophobicContact CD2-CB 3.62Å; W689-N1158 HydrophobicContact CE3-CB 4Å; W689-N1158 HydrophobicContact CG-CB 3.97Å; W689-N1158 HydrophobicContact CH2-CB 4.35Å; W689-N1158 HydrophobicContact CZ2-CB 4Å; W689-N1158 HydrophobicContact CZ3-CB 4.35Å; W689-L1161 HydrophobicContact CE3-CD1 3.63Å; W689-L1161 HydrophobicContact CH2-CD1 4.15Å; W689-L1161 HydrophobicContact CZ3-CD1 3.32Å
690	L	91.7	Very high	86.5	Confident	5 Å²	5	38.9 Å²	38.9	3%	0.026	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-61.5	125.8	175.6	-178.5	64.4	0	0	0	110.5	C630 C632 C682 Y684 F692 C763	C630-L690 HydrophobicContact CB-CD1 4.19Å; C630-L690 HydrophobicContact CB-CD2 3.93Å; C632-L690 WeakPolarHBondContact O-CB 3.47Å; C632-L690 PolarHBondContact O-N 3.11Å; C682-L690 HydrophobicContact CB-CD1 3.92Å; Y684-L690 HydrophobicContact CD1-CB 4.3Å; Y684-L690 HydrophobicContact CE1-CB 4.02Å; Y684-L690 HydrophobicContact CE1-CD1 4.02Å; L690-F692 HydrophobicContact CB-CE2 4.09Å; L690-F692 HydrophobicContact CD2-CE1 4.29Å; L690-F692 HydrophobicContact CD2-CE2 4.02Å; L690-F692 HydrophobicContact CD2-CZ 3.7Å; L690-F692 HydrophobicContact CG-CE2 4Å; L690-F692 HydrophobicContact CG-CZ 4.18Å; L690-F692 VanDerWaalsContact O-CD2 3.23Å; L690-F692 WeakPolarHBondContact O-CD2 3.36Å; L690-F692 WeakPolarHBondContact O-CE2 3.42Å; L690-C763 HydrophobicContact CD2-CB 4.48Å
691	M	91.3	Very high	85.4	Confident	8 Å²	8	43.4 Å²	43.4	4%	0.039	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-86.9	128.3	179.5	-61.7	173.1	67.3	0	0	111.1	K662 A664 C683 D685 W689 F706 A708 T760	K662-M691 WeakPolarHBondContact O-CE 3.43Å; A664-M691 HydrophobicContact CB-SD 3.64Å; C683-M691 HydrophobicContact CB-SD 4.14Å; C683-M691 PolarHBondContact O-N 3.05Å; D685-M691 HydrophobicContact CB-CG 4.13Å; D685-M691 HydrophobicContact CB-SD 4.33Å; W689-M691 PolarHBondContact O-N 2.96Å; M691-F706 HydrophobicContact CB-CZ 4.42Å; M691-F706 HydrophobicContact CE-CD1 4.43Å; M691-F706 HydrophobicContact CE-CD2 3.8Å; M691-F706 HydrophobicContact CE-CE2 3.82Å; M691-F706 HydrophobicContact CE-CG 4.15Å; M691-F706 HydrophobicContact CE-CZ 4.23Å; M691-A708 HydrophobicContact CB-CB 4.13Å; M691-T760 WeakPolarHBondContact O-CG2 3.41Å
692	F	88.8	Confident	84.3	Confident	6 Å²	6	43.7 Å²	43.7	3%	0.026	22%	0.221	C	C	.	.			trans	-105.4	134.2	-177.2	-72.6	-94.7	0	0	0	112.8	L690 Q694 D695 F706 T760 P1144 Y1160	L690-F692 HydrophobicContact CB-CE2 4.09Å; L690-F692 HydrophobicContact CD2-CE1 4.29Å; L690-F692 HydrophobicContact CD2-CE2 4.02Å; L690-F692 HydrophobicContact CD2-CZ 3.7Å; L690-F692 HydrophobicContact CG-CE2 4Å; L690-F692 HydrophobicContact CG-CZ 4.18Å; L690-F692 VanDerWaalsContact O-CD2 3.23Å; L690-F692 WeakPolarHBondContact O-CD2 3.36Å; L690-F692 WeakPolarHBondContact O-CE2 3.42Å; F692-Q694 PolarHBondContact O-N 3.35Å; F692-D695 WeakPolarHBondContact O-CB 3.32Å; F692-D695 PolarHBondContact O-N 3.45Å; F692-F706 WeakPolarHBondContact O-CZ 3.29Å; F692-T760 HydrophobicContact CD1-CG2 4.11Å; F692-T760 HydrophobicContact CE1-CG2 4.49Å; F692-P1144 HydrophobicContact CD1-CB 3.9Å; F692-P1144 HydrophobicContact CD1-CG 4.23Å; F692-P1144 HydrophobicContact CE1-CB 4.32Å; F692-P1144 HydrophobicContact CE1-CG 4.34Å; F692-Y1160 HydrophobicContact CB-CE2 3.78Å; F692-Y1160 HydrophobicContact CD1-CE2 4.19Å; F692-Y1160 AromaticContact CD2-CD2 3.3Å; F692-Y1160 HydrophobicContact CD2-CD2 3.3Å; F692-Y1160 AromaticContact CD2-CE2 3.17Å; F692-Y1160 HydrophobicContact CD2-CE2 3.17Å; F692-Y1160 HydrophobicContact CD2-CG 4.5Å; F692-Y1160 AromaticContact CE2-CD2 3.29Å; F692-Y1160 HydrophobicContact CE2-CD2 3.29Å; F692-Y1160 AromaticContact CE2-CE2 3.71Å; F692-Y1160 HydrophobicContact CE2-CE2 3.71Å; F692-Y1160 HydrophobicContact CE2-CG 4.22Å; F692-Y1160 AromaticContact CG-CD2 3.95Å; F692-Y1160 HydrophobicContact CG-CD2 3.95Å; F692-Y1160 AromaticContact CG-CE2 3.44Å; F692-Y1160 HydrophobicContact CG-CE2 3.44Å; F692-Y1160 VanDerWaalsContact CG-CE2 3.44Å; F692-Y1160 AromaticContact CZ-CD2 3.93Å; F692-Y1160 HydrophobicContact CZ-CD2 3.93Å; F692-Y1160 HydrophobicContact CZ-CE2 4.38Å
693	S	88.3	Confident	83.5	Confident	4 Å²	4	45.4 Å²	45.4	3%	0.028	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-63.9	-22.9	175.8	67.9	0	0	0	0	113.1	D695 Y696 A708 P759 T760	S693-D695 PolarHBondContact O-N 2.92Å; S693-Y696 WeakPolarHBondContact O-CB 3.34Å; S693-Y696 PolarHBondContact O-N 3.3Å; S693-A708 VanDerWaalsContact N-CB 3.27Å; S693-P759 VanDerWaalsContact OG-CA 3.29Å; S693-P759 WeakPolarHBondContact OG-CA 3.42Å; S693-T760 WeakPolarHBondContact CB-OG1 3.32Å; S693-T760 PolarHBondContact N-OG1 3.18Å; S693-T760 PolarHBondContact OG-N 2.85Å
694	Q	82.4	Confident	82.7	Confident	55 Å²	55	50.5 Å²	50.5	26%	0.257	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-74.5	-12.4	176	-61.4	84.1	-4.8	0	0	113	F692 P1144	F692-Q694 PolarHBondContact O-N 3.35Å; Q694-P1144 HydrophobicContact CB-CB 4.12Å; Q694-P1144 HydrophobicContact CG-CB 3.93Å
695	D	81.3	Confident	81.9	Confident	25 Å²	25	55.8 Å²	55.8	13%	0.134	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-81.4	-1.7	170.3	-70.9	-21.7	0	0	0	112.7	F692 S693 E697 F706 K1153 Y1160	F692-D695 WeakPolarHBondContact O-CB 3.32Å; F692-D695 PolarHBondContact O-N 3.45Å; S693-D695 PolarHBondContact O-N 2.92Å; D695-E697 PolarHBondContact O-N 2.94Å; D695-F706 HydrophobicContact CB-CZ 3.91Å; D695-K1153 WeakPolarHBondContact OD1-CE 3.47Å; D695-K1153 IonicContact OD1-NZ 2.71Å; D695-K1153 PolarHBondContact OD1-NZ 3.22Å; D695-Y1160 PolarHBondContact OD1-OH 3.37Å
696	Y	79.3	Confident	81.5	Confident	32 Å²	32	56.7 Å²	56.7	13%	0.125	28%	0.281	C	S	.	.			trans	-48.5	128	169.5	172.7	-113.8	0	0	0	110.9	S693 Y702 C751 E752 Y755	S693-Y696 WeakPolarHBondContact O-CB 3.34Å; S693-Y696 PolarHBondContact O-N 3.3Å; Y696-Y702 WeakPolarHBondContact CA-OH 3.22Å; Y696-Y702 AromaticContact CD2-CD1 3.88Å; Y696-Y702 HydrophobicContact CD2-CD1 3.88Å; Y696-Y702 HydrophobicContact CD2-CD2 4.05Å; Y696-Y702 AromaticContact CD2-CE1 3.49Å; Y696-Y702 HydrophobicContact CD2-CE1 3.49Å; Y696-Y702 VanDerWaalsContact CD2-CE1 3.49Å; Y696-Y702 AromaticContact CD2-CE2 3.67Å; Y696-Y702 HydrophobicContact CD2-CE2 3.67Å; Y696-Y702 HydrophobicContact CD2-CG 4.13Å; Y696-Y702 AromaticContact CD2-CZ 3.35Å; Y696-Y702 WeakPolarHBondContact CD2-OH 3.4Å; Y696-Y702 AromaticContact CE2-CD1 3.79Å; Y696-Y702 HydrophobicContact CE2-CD1 3.79Å; Y696-Y702 HydrophobicContact CE2-CD2 4.3Å; Y696-Y702 AromaticContact CE2-CE1 3.86Å; Y696-Y702 HydrophobicContact CE2-CE1 3.86Å; Y696-Y702 HydrophobicContact CE2-CE2 4.36Å; Y696-Y702 HydrophobicContact CE2-CG 4.01Å; Y696-C751 HydrophobicContact CD2-CB 4.23Å; Y696-C751 HydrophobicContact CE1-CB 4.41Å; Y696-C751 HydrophobicContact CE2-CB 3.57Å; Y696-E752 HydrophobicContact CD1-CB 4.43Å; Y696-E752 HydrophobicContact CE1-CB 3.91Å; Y696-E752 WeakPolarHBondContact CE1-OE2 3.13Å; Y696-E752 PolarHBondContact OH-OE2 3.09Å; Y696-Y755 HydrophobicContact CD1-CD2 4.41Å; Y696-Y755 HydrophobicContact CD2-CD2 4.17Å; Y696-Y755 AromaticContact CD2-CE2 3.87Å; Y696-Y755 HydrophobicContact CD2-CE2 3.87Å; Y696-Y755 AromaticContact CG-CD2 3.88Å; Y696-Y755 HydrophobicContact CG-CD2 3.88Å; Y696-Y755 HydrophobicContact CG-CE2 4Å
697	E	75.5	Confident	81.5	Confident	41 Å²	41	50.1 Å²	50.1	19%	0.192	25%	0.252	C	S	.	.			trans	-127.9	130.2	168.8	-171.2	62.1	-156.3	0	0	107.3	D695 N699 Y702 K1147 G1150	D695-E697 PolarHBondContact O-N 2.94Å; E697-N699 PolarHBondContact O-N 3.02Å; E697-N699 VanDerWaalsContact O-N 3.16Å; E697-Y702 VanDerWaalsContact O-CD2 3.24Å; E697-Y702 WeakPolarHBondContact O-CD2 3.42Å; E697-K1147 IonicContact OE2-NZ 3.84Å; E697-K1147 PolarHBondContact OE2-NZ 3.32Å; E697-G1150 WeakPolarHBondContact OE1-CA 3.43Å; E697-G1150 PolarHBondContact OE1-N 3.17Å
698	F	71.7	Confident	81.4	Confident	90 Å²	90	44.4 Å²	44.4	40%	0.395	22%	0.222	S	C	.	.			trans	-65.5	119.4	-179.2	176.7	-93.1	0	0	0	110.1	Y1149	F698-Y1149 HydrophobicContact CB-CE2 3.68Å; F698-Y1149 VanDerWaalsContact CB-OH 3.24Å; F698-Y1149 WeakPolarHBondContact CB-OH 3.47Å; F698-Y1149 WeakPolarHBondContact CD1-OH 3.4Å; F698-Y1149 WeakPolarHBondContact CG-OH 3.4Å
699	N	70.6	Confident	81.4	Confident	64 Å²	64	43.9 Å²	43.9	34%	0.342	22%	0.217	S	C	.	.			trans	-146.2	137.2	172.6	-179.9	-31.9	0	0	0	107.3	E697 D701 Y702 Y705	E697-N699 PolarHBondContact O-N 3.02Å; E697-N699 VanDerWaalsContact O-N 3.16Å; N699-D701 PolarHBondContact O-N 3.17Å; N699-D701 PolarHBondContact OD1-N 3.3Å; N699-Y702 VanDerWaalsContact O-CB 3.25Å; N699-Y702 WeakPolarHBondContact O-CB 3.48Å; N699-Y702 PolarHBondContact O-N 2.84Å; N699-Y705 VanDerWaalsContact CB-OH 3.28Å; N699-Y705 WeakPolarHBondContact CB-OH 3.44Å; N699-Y705 PolarHBondContact ND2-OH 3.42Å
700	P	66.8	Low	81.6	Confident	118 Å²	118	40.9 Å²	40.9	77%	0.766	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-46.4	-35.2	174.6	-29.3	33.4	0	0	0	114.5
701	D	70	Confident	81.8	Confident	96 Å²	96	40.6 Å²	40.6	51%	0.513	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	14	-176.7	-67.9	-48.9	0	0	0	113.6	N699 L703 N704 Y705	N699-D701 PolarHBondContact O-N 3.17Å; N699-D701 PolarHBondContact OD1-N 3.3Å; D701-L703 VanDerWaalsContact C-N 3.31Å; D701-L703 PolarHBondContact O-N 3.46Å; D701-N704 VanDerWaalsContact O-CB 3.24Å; D701-N704 WeakPolarHBondContact O-CB 3.27Å; D701-N704 PolarHBondContact O-N 2.63Å; D701-N704 PolarHBondContact OD1-ND2 3.36Å; D701-Y705 WeakPolarHBondContact O-CD1 3.33Å; D701-Y705 WeakPolarHBondContact O-CE1 3.4Å
702	Y	73.4	Confident	82	Confident	6 Å²	6	40.7 Å²	40.7	2%	0.024	21%	0.205	C	C	.	.	H	α-helix	trans	-51.1	-46.9	-172.7	173	-95.9	0	0	0	113.6	Y696 E697 N699 N704 Y705 F706 Y755	Y696-Y702 WeakPolarHBondContact CA-OH 3.22Å; Y696-Y702 AromaticContact CD2-CD1 3.88Å; Y696-Y702 HydrophobicContact CD2-CD1 3.88Å; Y696-Y702 HydrophobicContact CD2-CD2 4.05Å; Y696-Y702 AromaticContact CD2-CE1 3.49Å; Y696-Y702 HydrophobicContact CD2-CE1 3.49Å; Y696-Y702 VanDerWaalsContact CD2-CE1 3.49Å; Y696-Y702 AromaticContact CD2-CE2 3.67Å; Y696-Y702 HydrophobicContact CD2-CE2 3.67Å; Y696-Y702 HydrophobicContact CD2-CG 4.13Å; Y696-Y702 AromaticContact CD2-CZ 3.35Å; Y696-Y702 WeakPolarHBondContact CD2-OH 3.4Å; Y696-Y702 AromaticContact CE2-CD1 3.79Å; Y696-Y702 HydrophobicContact CE2-CD1 3.79Å; Y696-Y702 HydrophobicContact CE2-CD2 4.3Å; Y696-Y702 AromaticContact CE2-CE1 3.86Å; Y696-Y702 HydrophobicContact CE2-CE1 3.86Å; Y696-Y702 HydrophobicContact CE2-CE2 4.36Å; Y696-Y702 HydrophobicContact CE2-CG 4.01Å; E697-Y702 VanDerWaalsContact O-CD2 3.24Å; E697-Y702 WeakPolarHBondContact O-CD2 3.42Å; N699-Y702 VanDerWaalsContact O-CB 3.25Å; N699-Y702 WeakPolarHBondContact O-CB 3.48Å; N699-Y702 PolarHBondContact O-N 2.84Å; Y702-N704 PolarHBondContact O-N 2.85Å; Y702-Y705 VanDerWaalsContact CA-CE1 3.46Å; Y702-Y705 HydrophobicContact CD2-CE2 4.09Å; Y702-Y705 PolarHBondContact O-N 3.12Å; Y702-Y705 VanDerWaalsContact O-N 3.09Å; Y702-F706 WeakPolarHBondContact CD1-O 3.49Å; Y702-F706 HydrophobicContact CD2-CB 4.47Å; Y702-F706 HydrophobicContact CE1-CD1 4.34Å; Y702-F706 WeakPolarHBondContact CE1-O 3.44Å; Y702-F706 HydrophobicContact CE2-CB 3.88Å; Y702-F706 AromaticContact CE2-CD1 3.68Å; Y702-F706 HydrophobicContact CE2-CD1 3.68Å; Y702-F706 HydrophobicContact CE2-CE1 4.49Å; Y702-F706 HydrophobicContact CE2-CG 4.11Å; Y702-F706 AromaticContact CZ-CD1 3.34Å; Y702-F706 PolarHBondContact O-N 3.18Å; Y702-F706 WeakPolarHBondContact OH-CD1 3.28Å; Y702-F706 WeakPolarHBondContact OH-CE1 2.9Å; Y702-Y755 HydrophobicContact CE1-CE2 4.17Å
703	L	77.7	Confident	82.2	Confident	37 Å²	37	40.9 Å²	40.9	19%	0.194	21%	0.205	C	C	.	.	H	α-helix	trans	-64.4	-9	-178.6	-68	-178.1	0	0	0	113.8	K662 D701 F741 C745 R746	K662-L703 WeakPolarHBondContact CB-O 3.45Å; K662-L703 WeakPolarHBondContact CG-O 3.47Å; D701-L703 VanDerWaalsContact C-N 3.31Å; D701-L703 PolarHBondContact O-N 3.46Å; L703-F741 HydrophobicContact CD2-CE1 4.26Å; L703-F741 HydrophobicContact CD2-CE2 4.36Å; L703-F741 HydrophobicContact CD2-CZ 3.61Å; L703-C745 HydrophobicContact CD1-CB 4.06Å; L703-C745 HydrophobicContact CD2-CB 4.23Å; L703-R746 HydrophobicContact CD1-CB 4.23Å
704	N	77.5	Confident	82.4	Confident	106 Å²	106	40.7 Å²	40.7	57%	0.567	20%	0.204	S	C	*	.	H	α-helix	trans	-80.7	-26.8	175.9	-64.3	-30.8	0	0	0	112.6	D701 Y702	D701-N704 VanDerWaalsContact O-CB 3.24Å; D701-N704 WeakPolarHBondContact O-CB 3.27Å; D701-N704 PolarHBondContact O-N 2.63Å; D701-N704 PolarHBondContact OD1-ND2 3.36Å; Y702-N704 PolarHBondContact O-N 2.85Å
705	Y	77.5	Confident	82.8	Confident	112 Å²	112	38.2 Å²	38.2	44%	0.439	19%	0.192	S	C	.	.	H	α-helix	trans	-124.7	-24.6	-172	60.5	-95.6	0	0	0	114.7	G663 N699 D701 Y702	G663-Y705 VanDerWaalsContact CA-O 3.24Å; G663-Y705 WeakPolarHBondContact CA-O 3.24Å; G663-Y705 PolarHBondContact N-O 2.85Å; N699-Y705 VanDerWaalsContact CB-OH 3.28Å; N699-Y705 WeakPolarHBondContact CB-OH 3.44Å; N699-Y705 PolarHBondContact ND2-OH 3.42Å; D701-Y705 WeakPolarHBondContact O-CD1 3.33Å; D701-Y705 WeakPolarHBondContact O-CE1 3.4Å; Y702-Y705 VanDerWaalsContact CA-CE1 3.46Å; Y702-Y705 HydrophobicContact CD2-CE2 4.09Å; Y702-Y705 PolarHBondContact O-N 3.12Å; Y702-Y705 VanDerWaalsContact O-N 3.09Å
706	F	84.6	Confident	83.3	Confident	43 Å²	43	37.7 Å²	37.7	19%	0.189	19%	0.19	C	C	.	.			trans	-144.2	131.5	-179.3	-172	-73.1	0	0	0	111.7	K662 M691 F692 D695 Y702 A708	K662-F706 CarbonylContact O-C 3.54Å; K662-F706 VanDerWaalsContact O-CA 3.24Å; K662-F706 WeakPolarHBondContact O-CA 3.26Å; M691-F706 HydrophobicContact CB-CZ 4.42Å; M691-F706 HydrophobicContact CE-CD1 4.43Å; M691-F706 HydrophobicContact CE-CD2 3.8Å; M691-F706 HydrophobicContact CE-CE2 3.82Å; M691-F706 HydrophobicContact CE-CG 4.15Å; M691-F706 HydrophobicContact CE-CZ 4.23Å; F692-F706 WeakPolarHBondContact O-CZ 3.29Å; D695-F706 HydrophobicContact CB-CZ 3.91Å; Y702-F706 WeakPolarHBondContact CD1-O 3.49Å; Y702-F706 HydrophobicContact CD2-CB 4.47Å; Y702-F706 HydrophobicContact CE1-CD1 4.34Å; Y702-F706 WeakPolarHBondContact CE1-O 3.44Å; Y702-F706 HydrophobicContact CE2-CB 3.88Å; Y702-F706 AromaticContact CE2-CD1 3.68Å; Y702-F706 HydrophobicContact CE2-CD1 3.68Å; Y702-F706 HydrophobicContact CE2-CE1 4.49Å; Y702-F706 HydrophobicContact CE2-CG 4.11Å; Y702-F706 AromaticContact CZ-CD1 3.34Å; Y702-F706 PolarHBondContact O-N 3.18Å; Y702-F706 WeakPolarHBondContact OH-CD1 3.28Å; Y702-F706 WeakPolarHBondContact OH-CE1 2.9Å; F706-A708 HydrophobicContact CE1-CB 3.96Å; F706-A708 HydrophobicContact CZ-CB 4.29Å
707	S	88.5	Confident	83.7	Confident	2 Å²	2	36.8 Å²	36.8	1%	0.014	19%	0.187	C	C	.	.			trans	-154.1	119.4	161.8	175.1	0	0	0	0	108.1	Y660 T661 K662 F741 Y755	Y660-S707 WeakPolarHBondContact O-CB 3.05Å; Y660-S707 PolarHBondContact O-OG 3.34Å; T661-S707 CarbonylContact C-O 3.59Å; T661-S707 VanDerWaalsContact CA-O 3.27Å; T661-S707 WeakPolarHBondContact CA-O 3.32Å; K662-S707 PolarHBondContact O-N 3.23Å; S707-F741 VanDerWaalsContact OG-CE2 3.32Å; S707-F741 WeakPolarHBondContact OG-CE2 3.27Å; S707-Y755 WeakPolarHBondContact CA-OH 3.32Å; S707-Y755 PolarHBondContact OG-OH 2.83Å; S707-Y755 VanDerWaalsContact OG-OH 3.09Å
708	A	89.3	Confident	84.2	Confident	3 Å²	3	35.2 Å²	35.2	3%	0.025	18%	0.182	C	C	.	.			trans	-74.3	158.9	-174.5	0	0	0	0	0	113	M691 S693 F706 Y755	M691-A708 HydrophobicContact CB-CB 4.13Å; S693-A708 VanDerWaalsContact N-CB 3.27Å; F706-A708 HydrophobicContact CE1-CB 3.96Å; F706-A708 HydrophobicContact CZ-CB 4.29Å; A708-Y755 PolarHBondContact N-OH 3.05Å
709	G	92.8	Very high	84.6	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.169	C	C	.	.			trans	-72.4	136.3	167.7	0	0	0	0	0	111	M681 T760	M681-G709 CarbonylContact O-C 3.57Å; G709-T760 WeakPolarHBondContact O-CB 3.47Å; G709-T760 WeakPolarHBondContact O-CG2 3.4Å; G709-T760 PolarHBondContact O-OG1 3.35Å
710	V	94.9	Very high	84.7	Confident	5 Å²	5	38.1 Å²	38.1	3%	0.03	19%	0.19	C	C	.	.			trans	-132.7	150.3	-176	-60.5	0	0	0	0	111.5	M681 Y712 Y754 Y755 R758	M681-V710 WeakPolarHBondContact CB-O 3.3Å; M681-V710 CarbonylContact O-C 3.36Å; M681-V710 PolarHBondContact O-N 3.08Å; V710-Y712 HydrophobicContact CG2-CD1 4.28Å; V710-Y712 HydrophobicContact CG2-CE1 3.97Å; V710-Y754 HydrophobicContact CG1-CE1 4.45Å; V710-Y754 HydrophobicContact CG2-CE1 3.84Å; V710-Y754 WeakPolarHBondContact CG2-OH 3.44Å; V710-Y755 HydrophobicContact CG1-CD1 3.93Å; V710-Y755 HydrophobicContact CG1-CE1 3.9Å; V710-R758 HydrophobicContact CB-CB 3.93Å; V710-R758 WeakPolarHBondContact CB-O 3.43Å; V710-R758 HydrophobicContact CG1-CB 4.33Å; V710-R758 WeakPolarHBondContact CG1-O 3.46Å; V710-R758 HydrophobicContact CG2-CB 4.08Å
711	P	95.1	Very high	84.9	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.172	C	C	.	.			trans	-59.9	140.9	173.2	28.5	-38.8	0	0	0	110.8	F620 L621 Y625 T679 R758 P759	F620-P711 HydrophobicContact CE2-CB 4.18Å; L621-P711 HydrophobicContact CD2-CB 3.88Å; L621-P711 HydrophobicContact CD2-CG 3.4Å; L621-P711 VanDerWaalsContact CD2-CG 3.4Å; Y625-P711 HydrophobicContact CE1-CB 4.12Å; Y625-P711 HydrophobicContact CE1-CG 3.86Å; T679-P711 WeakPolarHBondContact O-CA 3.44Å; P711-R758 VanDerWaalsContact O-CD 3.25Å; P711-R758 WeakPolarHBondContact O-CD 3.43Å; P711-P759 WeakPolarHBondContact CD-O 3.37Å; P711-P759 WeakPolarHBondContact CG-O 3.34Å
712	Y	95.1	Very high	85.5	Confident	9 Å²	9	32.9 Å²	32.9	4%	0.035	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	-104.7	138.8	174.8	-64.7	-33.2	0	0	0	111	F620 G678 T679 M681 V710 A714 P716 N733 D737 L738	F620-Y712 VanDerWaalsContact CE2-C 3.43Å; F620-Y712 VanDerWaalsContact CE2-O 3.27Å; F620-Y712 WeakPolarHBondContact CE2-O 3.28Å; G678-Y712 WeakPolarHBondContact CA-O 3.4Å; T679-Y712 HydrophobicContact CG2-CD2 4.36Å; T679-Y712 HydrophobicContact CG2-CG 4.45Å; T679-Y712 PolarHBondContact N-O 3.15Å; T679-Y712 PolarHBondContact O-N 3.37Å; M681-Y712 HydrophobicContact CB-CD2 3.87Å; M681-Y712 HydrophobicContact CB-CE2 3.79Å; M681-Y712 HydrophobicContact CB-CG 4.41Å; M681-Y712 HydrophobicContact CG-CD2 4.13Å; M681-Y712 HydrophobicContact CG-CE2 3.52Å; M681-Y712 HydrophobicContact SD-CE2 4.41Å; V710-Y712 HydrophobicContact CG2-CD1 4.28Å; V710-Y712 HydrophobicContact CG2-CE1 3.97Å; Y712-A714 VanDerWaalsContact C-N 3.28Å; Y712-A714 WeakPolarHBondContact CB-O 3.25Å; Y712-P716 HydrophobicContact CD2-CG 3.95Å; Y712-P716 HydrophobicContact CE2-CG 4.15Å; Y712-N733 WeakPolarHBondContact CD2-ND2 3.4Å; Y712-N733 VanDerWaalsContact CG-ND2 3.29Å; Y712-D737 WeakPolarHBondContact CA-OD1 3.27Å; Y712-D737 WeakPolarHBondContact CB-OD2 3.05Å; Y712-D737 HydrophobicContact CD1-CB 3.5Å; Y712-D737 VanDerWaalsContact CD1-CB 3.5Å; Y712-D737 HydrophobicContact CE1-CB 4.05Å; Y712-D737 HydrophobicContact CG-CB 4.03Å; Y712-L738 HydrophobicContact CE1-CD2 4.5Å
713	R	93.1	Very high	86	Confident	11 Å²	11	36.3 Å²	36.3	4%	0.042	17%	0.17	C	C	.	.	S	Bend	trans	-66.9	-34	174.9	-176.4	-177.4	-73.9	-82.3	4.6	111	D614 D618 F620 S677 G678 L726 N736 D737	D614-R713 PolarHBondContact O-NH2 3.43Å; D614-R713 IonicContact OD1-CZ 2.94Å; D614-R713 IonicContact OD1-NE 3.7Å; D614-R713 PolarHBondContact OD1-NE 3.06Å; D614-R713 IonicContact OD1-NH2 3.58Å; D614-R713 PolarHBondContact OD1-NH2 3.37Å; D614-R713 IonicContact OD2-NH2 3.79Å; D618-R713 PolarHBondContact O-NH1 3.27Å; F620-R713 HydrophobicContact CD1-CB 4.08Å; F620-R713 HydrophobicContact CD1-CG 4.04Å; F620-R713 HydrophobicContact CE1-CB 3.76Å; F620-R713 HydrophobicContact CE1-CG 4.21Å; F620-R713 HydrophobicContact CE2-CB 4.28Å; F620-R713 HydrophobicContact CG-CB 4.48Å; F620-R713 HydrophobicContact CG-CG 4.36Å; F620-R713 HydrophobicContact CZ-CB 3.85Å; S677-R713 CarbonylContact C-O 3.58Å; S677-R713 WeakPolarHBondContact CB-O 3.31Å; S677-R713 VanDerWaalsContact O-O 3.07Å; G678-R713 PolarHBondContact N-O 2.92Å; R713-L726 HydrophobicContact CG-CD1 3.93Å; R713-N736 HydrophobicContact CB-CB 4.3Å; R713-D737 VanDerWaalsContact N-CG 3.3Å; R713-D737 PolarHBondContact N-OD1 3.26Å; R713-D737 PolarHBondContact N-OD2 3.17Å; R713-D737 VanDerWaalsContact N-OD2 3.08Å
714	A	92.9	Very high	86.5	Confident	0 Å²	0	41 Å²	41	0%	0	19%	0.189	C	C	.	.	S	Bend	trans	-121.5	132.9	177.2	0	0	0	0	0	110.9	Y712 L726 N733 D737	Y712-A714 VanDerWaalsContact C-N 3.28Å; Y712-A714 WeakPolarHBondContact CB-O 3.25Å; A714-L726 HydrophobicContact CB-CB 4.38Å; A714-L726 WeakPolarHBondContact CB-O 3.43Å; A714-N733 HydrophobicContact CB-CB 4.42Å; A714-N733 WeakPolarHBondContact O-CB 3.49Å; A714-N733 PolarHBondContact O-ND2 2.93Å; A714-D737 PolarHBondContact N-OD2 3.43Å
715	N	91.8	Very high	87	Confident	2 Å²	2	36.8 Å²	36.8	1%	0.011	17%	0.168	C	C	.	.			trans	-65.1	130.7	175.9	-170.4	-56.8	0	0	0	111	S670 T679 W717 G718	S670-N715 PolarHBondContact O-ND2 2.84Å; T679-N715 HydrophobicContact CG2-CB 4.13Å; T679-N715 PolarHBondContact OG1-ND2 2.97Å; T679-N715 VanDerWaalsContact OG1-ND2 3.12Å; N715-W717 PolarHBondContact O-N 2.67Å; N715-W717 VanDerWaalsContact O-N 3.08Å; N715-W717 PolarHBondContact OD1-N 3.13Å; N715-G718 WeakPolarHBondContact O-CA 3.5Å; N715-G718 PolarHBondContact O-N 3.36Å
716	P	91	Very high	87.6	Confident	15 Å²	15	32.3 Å²	32.3	10%	0.097	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-28.5	178.4	-27.2	33.7	0	0	0	114.7	V669 Y712 T730 N733	V669-P716 HydrophobicContact CG1-CG 4.46Å; Y712-P716 HydrophobicContact CD2-CG 3.95Å; Y712-P716 HydrophobicContact CE2-CG 4.15Å; P716-T730 WeakPolarHBondContact O-CA 3.47Å; P716-T730 PolarHBondContact O-N 3.38Å; P716-N733 HydrophobicContact CB-CB 4.47Å; P716-N733 HydrophobicContact CG-CB 4.44Å
717	W	87.6	Confident	87.8	Confident	12 Å²	12	32.9 Å²	32.9	5%	0.045	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-0.9	179.3	-43.8	-52.6	0	0	0	113.2	T645 V669 S670 N715 F907	T645-W717 HydrophobicContact CG2-CH2 2.97Å; T645-W717 HydrophobicContact CG2-CZ2 3.39Å; T645-W717 HydrophobicContact CG2-CZ3 3.73Å; V669-W717 HydrophobicContact CB-CH2 3.44Å; V669-W717 VanDerWaalsContact CB-CH2 3.44Å; V669-W717 HydrophobicContact CB-CZ2 3.85Å; V669-W717 HydrophobicContact CB-CZ3 4.34Å; V669-W717 HydrophobicContact CG1-CH2 3.46Å; V669-W717 VanDerWaalsContact CG1-CH2 3.46Å; V669-W717 HydrophobicContact CG1-CZ2 4.04Å; V669-W717 HydrophobicContact CG1-CZ3 3.89Å; S670-W717 VanDerWaalsContact O-CZ3 3.22Å; S670-W717 WeakPolarHBondContact O-CZ3 3.26Å; N715-W717 PolarHBondContact O-N 2.67Å; N715-W717 VanDerWaalsContact O-N 3.08Å; N715-W717 PolarHBondContact OD1-N 3.13Å; W717-F907 HydrophobicContact CB-CD1 4.44Å; W717-F907 HydrophobicContact CB-CE1 3.67Å; W717-F907 HydrophobicContact CB-CE2 3.97Å; W717-F907 HydrophobicContact CB-CZ 3.43Å; W717-F907 VanDerWaalsContact CB-CZ 3.43Å; W717-F907 AromaticContact CD1-CE2 3.88Å; W717-F907 AromaticContact CD1-CZ 3.44Å; W717-F907 VanDerWaalsContact CD1-CZ 3.44Å; W717-F907 AromaticContact CD2-CE1 3.93Å; W717-F907 HydrophobicContact CD2-CE1 3.93Å; W717-F907 AromaticContact CD2-CZ 3.57Å; W717-F907 HydrophobicContact CD2-CZ 3.57Å; W717-F907 HydrophobicContact CE3-CE1 4.12Å; W717-F907 HydrophobicContact CE3-CZ 4.22Å; W717-F907 AromaticContact CG-CE1 3.73Å; W717-F907 HydrophobicContact CG-CE1 3.73Å; W717-F907 AromaticContact CG-CE2 3.89Å; W717-F907 HydrophobicContact CG-CE2 3.89Å; W717-F907 AromaticContact CG-CZ 3.15Å; W717-F907 HydrophobicContact CG-CZ 3.15Å; W717-F907 AromaticContact NE1-CZ 3.98Å
718	G	86.7	Confident	88	Confident	9 Å²	9	32.8 Å²	32.8	9%	0.093	15%	0.152	C	C	.	.			trans	73.7	-164.4	-174.2	0	0	0	0	0	112.8	N715 Y727	N715-G718 WeakPolarHBondContact O-CA 3.5Å; N715-G718 PolarHBondContact O-N 3.36Å; G718-Y727 WeakPolarHBondContact CA-O 3.42Å
719	G	79.1	Confident	88.1	Confident	12 Å²	12	32.7 Å²	32.7	12%	0.124	15%	0.151	C	C	.	.			trans	-158.3	154.1	172.4	0	0	0	0	0	110.6	V721 Y722 Y727	G719-V721 PolarHBondContact O-N 2.98Å; G719-Y722 VanDerWaalsContact O-CA 3.29Å; G719-Y722 WeakPolarHBondContact O-CA 3.36Å; G719-Y722 VanDerWaalsContact O-CD1 3.31Å; G719-Y722 WeakPolarHBondContact O-CD1 3.29Å; G719-Y722 PolarHBondContact O-N 2.75Å; G719-Y727 PolarHBondContact N-O 3.21Å; G719-Y727 VanDerWaalsContact O-CB 3.28Å; G719-Y727 WeakPolarHBondContact O-CB 3.42Å
720	Y	72.5	Confident	88.2	Confident	202 Å²	202	33 Å²	33	79%	0.792	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	127.3	177.9	-180	-98	0	0	0	110.2
721	V	72.8	Confident	88.1	Confident	64 Å²	64	32.8 Å²	32.8	39%	0.388	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	cis	-93.9	6.7	20.4	-63.2	0	0	0	0	117.2	G719 K723 K724	G719-V721 PolarHBondContact O-N 2.98Å; V721-K723 VanDerWaalsContact C-N 3.25Å; V721-K723 PolarHBondContact O-N 3.41Å; V721-K724 HydrophobicContact CG2-CB 4.34Å; V721-K724 HydrophobicContact CG2-CD 3.97Å; V721-K724 HydrophobicContact CG2-CG 4.01Å
722	Y	82.5	Confident	88.1	Confident	40 Å²	40	32.8 Å²	32.8	16%	0.157	15%	0.152	C	C	.	.			trans	66.3	-57.2	-177.3	-56	-65.2	0	0	0	116.2	K429 T430 G719 K724 Y727 V728 P729	K429-Y722 HydrophobicContact CB-CD2 4.01Å; K429-Y722 HydrophobicContact CB-CG 4.39Å; T430-Y722 HydrophobicContact CG2-CD1 4.13Å; T430-Y722 HydrophobicContact CG2-CE1 3.54Å; T430-Y722 HydrophobicContact CG2-CE2 4.04Å; T430-Y722 VanDerWaalsContact CG2-CZ 3.48Å; G719-Y722 VanDerWaalsContact O-CA 3.29Å; G719-Y722 WeakPolarHBondContact O-CA 3.36Å; G719-Y722 VanDerWaalsContact O-CD1 3.31Å; G719-Y722 WeakPolarHBondContact O-CD1 3.29Å; G719-Y722 PolarHBondContact O-N 2.75Å; Y722-K724 PolarHBondContact O-N 2.87Å; Y722-Y727 WeakPolarHBondContact CA-O 3.2Å; Y722-Y727 CarbonylContact O-C 3.59Å; Y722-V728 VanDerWaalsContact O-CA 3.25Å; Y722-V728 WeakPolarHBondContact O-CA 3.31Å; Y722-V728 WeakPolarHBondContact O-CG2 3.48Å; Y722-V728 PolarHBondContact O-N 3.12Å; Y722-P729 HydrophobicContact CD1-CG 3.43Å; Y722-P729 VanDerWaalsContact CD1-CG 3.43Å; Y722-P729 HydrophobicContact CE1-CG 4Å; Y722-P729 HydrophobicContact CG-CG 4.09Å
723	K	83	Confident	88.1	Confident	78 Å²	78	32.8 Å²	32.8	34%	0.339	15%	0.152	S	C	.	.	S	Bend	trans	-60.3	-5.6	-171.5	-66.6	-178.3	176.1	179.6	0	115	D404 V427 F428 V721	D404-K723 WeakPolarHBondContact OD2-CE 3.14Å; D404-K723 IonicContact OD2-NZ 3.88Å; D404-K723 PolarHBondContact OD2-NZ 2.93Å; V427-K723 WeakPolarHBondContact O-CE 3.43Å; F428-K723 HydrophobicContact CB-CG 4.48Å; V721-K723 VanDerWaalsContact C-N 3.25Å; V721-K723 PolarHBondContact O-N 3.41Å
724	K	87.6	Confident	88.2	Confident	136 Å²	136	32.4 Å²	32.4	59%	0.591	15%	0.151	S	C	*	.	S	Bend	trans	-115.4	135.8	-176.5	-64.2	-173	177.2	-174.7	0	110.9	V721 Y722 Y727	V721-K724 HydrophobicContact CG2-CB 4.34Å; V721-K724 HydrophobicContact CG2-CD 3.97Å; V721-K724 HydrophobicContact CG2-CG 4.01Å; Y722-K724 PolarHBondContact O-N 2.87Å; K724-Y727 WeakPolarHBondContact O-CA 3.47Å; K724-Y727 VanDerWaalsContact O-CB 3.32Å; K724-Y727 WeakPolarHBondContact O-CB 3.42Å; K724-Y727 PolarHBondContact O-N 2.94Å
725	P	89.1	Confident	88.3	Confident	18 Å²	18	33.9 Å²	33.9	12%	0.117	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	140.8	163.8	-25.7	36.3	0	0	0	110.5	E514 D515 R519	E514-P725 HydrophobicContact CB-CB 4.08Å; E514-P725 HydrophobicContact CB-CG 3.7Å; E514-P725 HydrophobicContact CG-CB 4.37Å; E514-P725 HydrophobicContact CG-CG 4.47Å; D515-P725 VanDerWaalsContact O-CB 3.27Å; D515-P725 WeakPolarHBondContact O-CB 3.4Å; R519-P725 HydrophobicContact CB-CG 4.3Å
726	L	89.4	Confident	88.5	Confident	17 Å²	17	34 Å²	34	9%	0.089	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	cis	-95.7	32.1	1.6	-71.8	159.6	0	0	0	112.4	E514 S677 R713 A714 N736	E514-L726 WeakPolarHBondContact OE1-CD2 3.35Å; S677-L726 PolarHBondContact OG-O 2.56Å; R713-L726 HydrophobicContact CG-CD1 3.93Å; A714-L726 HydrophobicContact CB-CB 4.38Å; A714-L726 WeakPolarHBondContact CB-O 3.43Å; L726-N736 VanDerWaalsContact CD2-ND2 3.3Å; L726-N736 WeakPolarHBondContact CD2-ND2 3.35Å; L726-N736 WeakPolarHBondContact CD2-OD1 3.31Å
727	Y	89.9	Confident	88.7	Confident	56 Å²	56	33.2 Å²	33.2	22%	0.22	15%	0.153	C	C	.	.			trans	-111.9	7	-166.7	-60.2	-81.2	0	0	0	113.9	L675 G718 G719 Y722 K724 P729	L675-Y727 PolarHBondContact O-OH 3.07Å; G718-Y727 WeakPolarHBondContact CA-O 3.42Å; G719-Y727 PolarHBondContact N-O 3.21Å; G719-Y727 VanDerWaalsContact O-CB 3.28Å; G719-Y727 WeakPolarHBondContact O-CB 3.42Å; Y722-Y727 WeakPolarHBondContact CA-O 3.2Å; Y722-Y727 CarbonylContact O-C 3.59Å; K724-Y727 WeakPolarHBondContact O-CA 3.47Å; K724-Y727 VanDerWaalsContact O-CB 3.32Å; K724-Y727 WeakPolarHBondContact O-CB 3.42Å; K724-Y727 PolarHBondContact O-N 2.94Å; Y727-P729 VanDerWaalsContact O-CD 3.27Å; Y727-P729 WeakPolarHBondContact O-CD 3.48Å
728	V	92.5	Very high	89	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.157	C	C	.	.			trans	-72.7	117.3	-177.9	-172.1	0	0	0	0	109.2	M380 F428 Y722 T730 W731 S732	M380-V728 HydrophobicContact CE-CG1 3.75Å; F428-V728 HydrophobicContact CD1-CG1 3.84Å; Y722-V728 VanDerWaalsContact O-CA 3.25Å; Y722-V728 WeakPolarHBondContact O-CA 3.31Å; Y722-V728 WeakPolarHBondContact O-CG2 3.48Å; Y722-V728 PolarHBondContact O-N 3.12Å; V728-T730 PolarHBondContact O-N 3.01Å; V728-W731 HydrophobicContact CB-CB 4.43Å; V728-W731 HydrophobicContact CG1-CB 3.92Å; V728-W731 HydrophobicContact CG1-CG 4.49Å; V728-W731 PolarHBondContact O-N 2.92Å; V728-S732 VanDerWaalsContact CB-OG 3.25Å; V728-S732 WeakPolarHBondContact CB-OG 3.34Å; V728-S732 PolarHBondContact N-OG 3.22Å; V728-S732 PolarHBondContact O-N 3.08Å; V728-S732 PolarHBondContact O-OG 2.9Å
729	P	91.8	Very high	89.4	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	137.6	-179.8	-27	33.8	0	0	0	112.5	M380 T430 P454 Y722 Y727 W731	M380-P729 HydrophobicContact CE-CB 4.24Å; M380-P729 HydrophobicContact CE-CG 4.22Å; M380-P729 HydrophobicContact SD-CB 4.09Å; T430-P729 HydrophobicContact CG2-CB 4.46Å; T430-P729 HydrophobicContact CG2-CG 3.85Å; P454-P729 HydrophobicContact CB-CB 3.66Å; Y722-P729 HydrophobicContact CD1-CG 3.43Å; Y722-P729 VanDerWaalsContact CD1-CG 3.43Å; Y722-P729 HydrophobicContact CE1-CG 4Å; Y722-P729 HydrophobicContact CG-CG 4.09Å; Y727-P729 VanDerWaalsContact O-CD 3.27Å; Y727-P729 WeakPolarHBondContact O-CD 3.48Å; P729-W731 PolarHBondContact O-N 3.24Å
730	T	93.2	Very high	90.2	Very high	8 Å²	8	33 Å²	33	5%	0.049	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.8	-50.6	-172.8	-57.7	0	0	0	0	114.5	P455 A456 P583 P716 V728 F734	P455-T730 HydrophobicContact CB-CG2 4.26Å; A456-T730 HydrophobicContact CB-CG2 3.76Å; A456-T730 VanDerWaalsContact CB-OG1 3.26Å; A456-T730 WeakPolarHBondContact CB-OG1 3.09Å; A456-T730 PolarHBondContact N-OG1 3.15Å; P583-T730 HydrophobicContact CG-CG2 3.47Å; P583-T730 VanDerWaalsContact CG-CG2 3.47Å; P716-T730 WeakPolarHBondContact O-CA 3.47Å; P716-T730 PolarHBondContact O-N 3.38Å; V728-T730 PolarHBondContact O-N 3.01Å; T730-F734 VanDerWaalsContact O-CB 3.28Å; T730-F734 WeakPolarHBondContact O-CB 3.35Å; T730-F734 PolarHBondContact O-N 2.65Å
731	W	94.5	Very high	91.2	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-76.4	-40.8	-166.2	-69	118.9	0	0	0	114.8	I381 F428 P455 Y512 Y521 P583 V728 P729 N733 F734 Y735	I381-W731 HydrophobicContact CD1-CZ2 3.66Å; F428-W731 AromaticContact CE1-CD1 4Å; P455-W731 HydrophobicContact CG-CZ2 4.26Å; Y512-W731 HydrophobicContact CD1-CB 3.92Å; Y512-W731 HydrophobicContact CD1-CE3 4.18Å; Y512-W731 HydrophobicContact CD2-CB 3.85Å; Y512-W731 AromaticContact CD2-CD2 3.97Å; Y512-W731 HydrophobicContact CD2-CD2 3.97Å; Y512-W731 HydrophobicContact CD2-CE3 4.18Å; Y512-W731 AromaticContact CD2-CG 3.87Å; Y512-W731 HydrophobicContact CD2-CG 3.87Å; Y512-W731 HydrophobicContact CE1-CB 3.59Å; Y512-W731 WeakPolarHBondContact CE1-O 3.37Å; Y512-W731 HydrophobicContact CE2-CB 3.52Å; Y512-W731 HydrophobicContact CE2-CD2 4.48Å; Y512-W731 AromaticContact CE2-CG 3.89Å; Y512-W731 HydrophobicContact CE2-CG 3.89Å; Y512-W731 HydrophobicContact CG-CB 4.04Å; Y512-W731 HydrophobicContact CG-CD2 4.02Å; Y512-W731 AromaticContact CG-CE3 3.74Å; Y512-W731 HydrophobicContact CG-CE3 3.74Å; Y512-W731 HydrophobicContact CG-CG 4.2Å; Y521-W731 AromaticContact CE2-CH2 3.86Å; Y521-W731 HydrophobicContact CE2-CH2 3.86Å; Y521-W731 AromaticContact CE2-CZ2 3.7Å; Y521-W731 HydrophobicContact CE2-CZ2 3.7Å; Y521-W731 HydrophobicContact CE2-CZ3 4.42Å; Y521-W731 AromaticContact CZ-CZ2 3.88Å; P583-W731 HydrophobicContact CB-CH2 4.42Å; P583-W731 HydrophobicContact CB-CZ3 4.03Å; P583-W731 HydrophobicContact CG-CH2 4.32Å; P583-W731 HydrophobicContact CG-CZ3 4.14Å; V728-W731 HydrophobicContact CB-CB 4.43Å; V728-W731 HydrophobicContact CG1-CB 3.92Å; V728-W731 HydrophobicContact CG1-CG 4.49Å; V728-W731 PolarHBondContact O-N 2.92Å; P729-W731 PolarHBondContact O-N 3.24Å; W731-N733 VanDerWaalsContact C-N 3.32Å; W731-N733 PolarHBondContact O-N 3.2Å; W731-F734 HydrophobicContact CE3-CB 4.46Å; W731-F734 AromaticContact CE3-CD1 3.83Å; W731-F734 HydrophobicContact CE3-CD1 3.83Å; W731-F734 HydrophobicContact CE3-CG 4.43Å; W731-F734 AromaticContact CZ3-CD1 3.82Å; W731-F734 HydrophobicContact CZ3-CD1 3.82Å; W731-F734 HydrophobicContact CZ3-CE1 4.1Å; W731-F734 PolarHBondContact O-N 3.39Å; W731-Y735 WeakPolarHBondContact O-CB 3.21Å; W731-Y735 PolarHBondContact O-N 2.98Å
732	S	94.4	Very high	92.1	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-64.3	-41.1	175.2	-62.4	0	0	0	0	110.4	E514 V728 Y735 N736	E514-S732 WeakPolarHBondContact OE1-CB 3.42Å; E514-S732 PolarHBondContact OE1-OG 3.49Å; E514-S732 WeakPolarHBondContact OE2-CB 3.33Å; E514-S732 PolarHBondContact OE2-OG 2.63Å; V728-S732 VanDerWaalsContact CB-OG 3.25Å; V728-S732 WeakPolarHBondContact CB-OG 3.34Å; V728-S732 PolarHBondContact N-OG 3.22Å; V728-S732 PolarHBondContact O-N 3.08Å; V728-S732 PolarHBondContact O-OG 2.9Å; S732-Y735 PolarHBondContact O-N 2.76Å; S732-N736 WeakPolarHBondContact O-CB 3.44Å; S732-N736 PolarHBondContact O-N 3.35Å; S732-N736 PolarHBondContact O-ND2 3.19Å
733	N	94.6	Very high	92.6	Very high	9 Å²	9	18.8 Å²	18.8	5%	0.048	9%	0.085	C	C	.	.	H	α-helix	trans	-65.3	-43.5	174.7	177.9	-112.5	0	0	0	111.9	Y712 A714 P716 W731 Y735 D737 L738	Y712-N733 WeakPolarHBondContact CD2-ND2 3.4Å; Y712-N733 VanDerWaalsContact CG-ND2 3.29Å; A714-N733 HydrophobicContact CB-CB 4.42Å; A714-N733 WeakPolarHBondContact O-CB 3.49Å; A714-N733 PolarHBondContact O-ND2 2.93Å; P716-N733 HydrophobicContact CB-CB 4.47Å; P716-N733 HydrophobicContact CG-CB 4.44Å; W731-N733 VanDerWaalsContact C-N 3.32Å; W731-N733 PolarHBondContact O-N 3.2Å; N733-Y735 VanDerWaalsContact C-N 3.34Å; N733-Y735 PolarHBondContact O-N 2.89Å; N733-D737 PolarHBondContact ND2-OD2 2.96Å; N733-D737 WeakPolarHBondContact O-CA 3.5Å; N733-D737 WeakPolarHBondContact O-CB 3.34Å; N733-D737 PolarHBondContact O-N 3Å; N733-L738 PolarHBondContact O-N 2.76Å; N733-L738 VanDerWaalsContact O-N 3.14Å
734	F	95.6	Very high	93.1	Very high	2 Å²	2	15 Å²	15	1%	0.009	7%	0.069	C	C	.	.	I	π-helix	trans	-57.4	-46.8	175.6	175.7	-109.6	0	0	0	111.8	P583 T730 W731 L738 L739	P583-F734 HydrophobicContact CB-CB 4.4Å; P583-F734 HydrophobicContact CB-CD1 4.15Å; P583-F734 HydrophobicContact CB-CD2 3.42Å; P583-F734 VanDerWaalsContact CB-CD2 3.42Å; P583-F734 HydrophobicContact CB-CE1 4.26Å; P583-F734 HydrophobicContact CB-CE2 3.56Å; P583-F734 HydrophobicContact CB-CG 3.73Å; P583-F734 HydrophobicContact CB-CZ 3.97Å; P583-F734 HydrophobicContact CG-CD2 4.41Å; P583-F734 HydrophobicContact CG-CG 4.46Å; T730-F734 VanDerWaalsContact O-CB 3.28Å; T730-F734 WeakPolarHBondContact O-CB 3.35Å; T730-F734 PolarHBondContact O-N 2.65Å; W731-F734 HydrophobicContact CE3-CB 4.46Å; W731-F734 AromaticContact CE3-CD1 3.83Å; W731-F734 HydrophobicContact CE3-CD1 3.83Å; W731-F734 HydrophobicContact CE3-CG 4.43Å; W731-F734 AromaticContact CZ3-CD1 3.82Å; W731-F734 HydrophobicContact CZ3-CD1 3.82Å; W731-F734 HydrophobicContact CZ3-CE1 4.1Å; W731-F734 PolarHBondContact O-N 3.39Å; F734-L738 HydrophobicContact CD2-CB 4.2Å; F734-L738 HydrophobicContact CD2-CD1 4.43Å; F734-L738 PolarHBondContact O-N 3Å; F734-L739 HydrophobicContact CD1-CD1 4.02Å; F734-L739 HydrophobicContact CD1-CG 4.12Å; F734-L739 HydrophobicContact CD2-CG 4.34Å; F734-L739 HydrophobicContact CE1-CD1 3.57Å; F734-L739 HydrophobicContact CE1-CD2 4.07Å; F734-L739 HydrophobicContact CE1-CG 3.69Å; F734-L739 HydrophobicContact CE2-CD2 4.01Å; F734-L739 HydrophobicContact CE2-CG 3.92Å; F734-L739 HydrophobicContact CG-CG 4.44Å; F734-L739 HydrophobicContact CZ-CD1 3.96Å; F734-L739 HydrophobicContact CZ-CD2 3.56Å; F734-L739 HydrophobicContact CZ-CG 3.58Å; F734-L739 WeakPolarHBondContact O-CB 3.47Å; F734-L739 PolarHBondContact O-N 3Å
735	Y	95.8	Very high	93.3	Very high	31 Å²	31	8.8 Å²	8.8	12%	0.122	4%	0.042	C	C	.	.	I	π-helix	trans	-72.2	-43.8	-178.2	-177.1	-103.5	0	0	0	114.2	R513 E514 W731 S732 N733 L739 P740	R513-Y735 HydrophobicContact CB-CD2 4.4Å; R513-Y735 HydrophobicContact CB-CE2 3.92Å; E514-Y735 HydrophobicContact CG-CD1 3.52Å; E514-Y735 HydrophobicContact CG-CE1 4.11Å; E514-Y735 HydrophobicContact CG-CG 4.14Å; E514-Y735 WeakPolarHBondContact O-CE1 3.36Å; W731-Y735 WeakPolarHBondContact O-CB 3.21Å; W731-Y735 PolarHBondContact O-N 2.98Å; S732-Y735 PolarHBondContact O-N 2.76Å; N733-Y735 VanDerWaalsContact C-N 3.34Å; N733-Y735 PolarHBondContact O-N 2.89Å; Y735-L739 HydrophobicContact CD2-CD1 4.15Å; Y735-P740 WeakPolarHBondContact O-CD 3.36Å
736	N	94.2	Very high	93.2	Very high	4 Å²	4	9.9 Å²	9.9	2%	0.021	4%	0.044	C	C	.	.	I	π-helix	trans	-90.2	-18.5	-171.5	-66.6	-91.1	0	0	0	114.4	E514 R617 R713 L726 S732 R758	E514-N736 PolarHBondContact OE1-ND2 2.88Å; R617-N736 PolarHBondContact NH1-OD1 2.81Å; R713-N736 HydrophobicContact CB-CB 4.3Å; L726-N736 VanDerWaalsContact CD2-ND2 3.3Å; L726-N736 WeakPolarHBondContact CD2-ND2 3.35Å; L726-N736 WeakPolarHBondContact CD2-OD1 3.31Å; S732-N736 WeakPolarHBondContact O-CB 3.44Å; S732-N736 PolarHBondContact O-N 3.35Å; S732-N736 PolarHBondContact O-ND2 3.19Å; N736-R758 PolarHBondContact O-NH2 3.15Å; N736-R758 VanDerWaalsContact O-NH2 3.1Å
737	D	95	Very high	93.3	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	4%	0.044	C	C	.	.	I	π-helix	trans	-131.2	-41.8	-168.8	-58	-63.4	0	0	0	113.7	Y712 R713 A714 N733 Y754 R758	Y712-D737 WeakPolarHBondContact CA-OD1 3.27Å; Y712-D737 WeakPolarHBondContact CB-OD2 3.05Å; Y712-D737 HydrophobicContact CD1-CB 3.5Å; Y712-D737 VanDerWaalsContact CD1-CB 3.5Å; Y712-D737 HydrophobicContact CE1-CB 4.05Å; Y712-D737 HydrophobicContact CG-CB 4.03Å; R713-D737 VanDerWaalsContact N-CG 3.3Å; R713-D737 PolarHBondContact N-OD1 3.26Å; R713-D737 PolarHBondContact N-OD2 3.17Å; R713-D737 VanDerWaalsContact N-OD2 3.08Å; A714-D737 PolarHBondContact N-OD2 3.43Å; N733-D737 PolarHBondContact ND2-OD2 2.96Å; N733-D737 WeakPolarHBondContact O-CA 3.5Å; N733-D737 WeakPolarHBondContact O-CB 3.34Å; N733-D737 PolarHBondContact O-N 3Å; D737-Y754 VanDerWaalsContact O-CE2 3.24Å; D737-Y754 WeakPolarHBondContact O-CE2 3.41Å; D737-Y754 PolarHBondContact O-OH 2.87Å; D737-R758 IonicContact OD1-CZ 3.54Å; D737-R758 IonicContact OD1-NE 2.66Å; D737-R758 PolarHBondContact OD1-NE 2.92Å; D737-R758 VanDerWaalsContact OD1-NE 3.09Å; D737-R758 IonicContact OD1-NH2 2.85Å
738	L	94.4	Very high	93.3	Very high	26 Å²	26	8.3 Å²	8.3	14%	0.136	4%	0.039	C	C	.	.	I	π-helix	trans	-86.5	-46.9	-179.5	-56.2	-179.1	0	0	0	113.6	Y660 Y712 N733 F734 P740 F741 D742	Y660-L738 HydrophobicContact CD1-CD2 4.4Å; Y660-L738 HydrophobicContact CD2-CD2 4.08Å; Y660-L738 HydrophobicContact CE1-CB 4.39Å; Y660-L738 HydrophobicContact CE2-CD1 4.16Å; Y660-L738 HydrophobicContact CE2-CD2 4.23Å; Y660-L738 HydrophobicContact CG-CD2 4.2Å; Y712-L738 HydrophobicContact CE1-CD2 4.5Å; N733-L738 PolarHBondContact O-N 2.76Å; N733-L738 VanDerWaalsContact O-N 3.14Å; F734-L738 HydrophobicContact CD2-CB 4.2Å; F734-L738 HydrophobicContact CD2-CD1 4.43Å; F734-L738 PolarHBondContact O-N 3Å; L738-P740 VanDerWaalsContact C-N 3.32Å; L738-F741 WeakPolarHBondContact O-CA 3.4Å; L738-F741 VanDerWaalsContact O-CB 3.28Å; L738-F741 WeakPolarHBondContact O-CB 3.36Å; L738-F741 PolarHBondContact O-N 2.81Å; L738-D742 PolarHBondContact O-N 3.34Å
739	L	94.9	Very high	93.1	Very high	1 Å²	1	9.8 Å²	9.8	1%	0.005	6%	0.055	C	C	.	.	H	α-helix	trans	-56.9	-40.8	176	-85.1	-179.7	0	0	0	112.8	W558 P585 F734 Y735 F741 D742 L743	W558-L739 HydrophobicContact CB-CD1 4.4Å; P585-L739 HydrophobicContact CB-CD2 3.6Å; F734-L739 HydrophobicContact CD1-CD1 4.02Å; F734-L739 HydrophobicContact CD1-CG 4.12Å; F734-L739 HydrophobicContact CD2-CG 4.34Å; F734-L739 HydrophobicContact CE1-CD1 3.57Å; F734-L739 HydrophobicContact CE1-CD2 4.07Å; F734-L739 HydrophobicContact CE1-CG 3.69Å; F734-L739 HydrophobicContact CE2-CD2 4.01Å; F734-L739 HydrophobicContact CE2-CG 3.92Å; F734-L739 HydrophobicContact CG-CG 4.44Å; F734-L739 HydrophobicContact CZ-CD1 3.96Å; F734-L739 HydrophobicContact CZ-CD2 3.56Å; F734-L739 HydrophobicContact CZ-CG 3.58Å; F734-L739 WeakPolarHBondContact O-CB 3.47Å; F734-L739 PolarHBondContact O-N 3Å; Y735-L739 HydrophobicContact CD2-CD1 4.15Å; L739-F741 VanDerWaalsContact C-N 3.29Å; L739-F741 PolarHBondContact O-N 3.24Å; L739-D742 WeakPolarHBondContact O-CB 3.26Å; L739-D742 PolarHBondContact O-N 2.74Å; L739-D742 VanDerWaalsContact O-N 3.14Å; L739-L743 WeakPolarHBondContact O-CD1 3.39Å; L739-L743 VanDerWaalsContact O-CG 3.31Å; L739-L743 WeakPolarHBondContact O-CG 3.5Å; L739-L743 PolarHBondContact O-N 2.72Å
740	P	95.5	Very high	92.9	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-62.8	-33.2	173.7	-29.5	40.3	0	0	0	114.7	W610 Y735 L738 C744 Y754	W610-P740 HydrophobicContact CD2-CB 3.59Å; W610-P740 HydrophobicContact CD2-CG 3.99Å; W610-P740 HydrophobicContact CE3-CB 4.03Å; W610-P740 HydrophobicContact CG-CB 4.12Å; W610-P740 HydrophobicContact CG-CG 4.13Å; W610-P740 HydrophobicContact CH2-CB 3.83Å; W610-P740 HydrophobicContact CZ2-CB 3.37Å; W610-P740 HydrophobicContact CZ2-CG 3.8Å; W610-P740 HydrophobicContact CZ3-CB 4.14Å; Y735-P740 WeakPolarHBondContact O-CD 3.36Å; L738-P740 VanDerWaalsContact C-N 3.32Å; P740-C744 WeakPolarHBondContact O-CB 3.32Å; P740-C744 PolarHBondContact O-N 2.92Å; P740-Y754 HydrophobicContact CB-CD2 3.87Å; P740-Y754 HydrophobicContact CB-CE2 3.93Å
741	F	94	Very high	92.7	Very high	8 Å²	8	12.5 Å²	12.5	4%	0.035	7%	0.067	C	C	.	.	H	α-helix	trans	-64	-44.5	171.8	-177.8	-83.3	0	0	0	110.2	Y660 L703 S707 L738 L739 C745 R746 Y754	Y660-F741 HydrophobicContact CD1-CB 4.48Å; Y660-F741 AromaticContact CD1-CD1 3.48Å; Y660-F741 HydrophobicContact CD1-CD1 3.48Å; Y660-F741 VanDerWaalsContact CD1-CD1 3.48Å; Y660-F741 AromaticContact CD1-CE1 3.81Å; Y660-F741 HydrophobicContact CD1-CE1 3.81Å; Y660-F741 HydrophobicContact CD1-CG 4.06Å; Y660-F741 AromaticContact CE1-CD1 3.86Å; Y660-F741 HydrophobicContact CE1-CD1 3.86Å; Y660-F741 HydrophobicContact CE1-CE1 4.46Å; L703-F741 HydrophobicContact CD2-CE1 4.26Å; L703-F741 HydrophobicContact CD2-CE2 4.36Å; L703-F741 HydrophobicContact CD2-CZ 3.61Å; S707-F741 VanDerWaalsContact OG-CE2 3.32Å; S707-F741 WeakPolarHBondContact OG-CE2 3.27Å; L738-F741 WeakPolarHBondContact O-CA 3.4Å; L738-F741 VanDerWaalsContact O-CB 3.28Å; L738-F741 WeakPolarHBondContact O-CB 3.36Å; L738-F741 PolarHBondContact O-N 2.81Å; L739-F741 VanDerWaalsContact C-N 3.29Å; L739-F741 PolarHBondContact O-N 3.24Å; F741-C745 HydrophobicContact CD1-CB 4.23Å; F741-C745 HydrophobicContact CD2-CB 4.19Å; F741-C745 VanDerWaalsContact CD2-SG 3.54Å; F741-C745 HydrophobicContact CE1-CB 4.19Å; F741-C745 HydrophobicContact CE2-CB 4.14Å; F741-C745 HydrophobicContact CG-CB 4.25Å; F741-C745 HydrophobicContact CZ-CB 4.17Å; F741-C745 WeakPolarHBondContact O-CA 3.39Å; F741-C745 WeakPolarHBondContact O-CB 3.45Å; F741-C745 PolarHBondContact O-N 2.8Å; F741-R746 PolarHBondContact O-N 3.45Å; F741-Y754 HydrophobicContact CB-CD2 4.35Å; F741-Y754 HydrophobicContact CB-CE1 4.34Å; F741-Y754 HydrophobicContact CB-CE2 3.99Å; F741-Y754 AromaticContact CD2-CD1 3.97Å; F741-Y754 HydrophobicContact CD2-CD1 3.97Å; F741-Y754 AromaticContact CD2-CE1 3.74Å; F741-Y754 HydrophobicContact CD2-CE1 3.74Å
742	D	92.7	Very high	92.4	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.076	C	C	.	.	I	π-helix	trans	-61.9	-46.7	175.9	-72.5	-53	0	0	0	111.8	P585 Y660 L738 L739 R746 W747	P585-D742 HydrophobicContact CB-CB 4.36Å; Y660-D742 PolarHBondContact OH-OD2 2.91Å; L738-D742 PolarHBondContact O-N 3.34Å; L739-D742 WeakPolarHBondContact O-CB 3.26Å; L739-D742 PolarHBondContact O-N 2.74Å; L739-D742 VanDerWaalsContact O-N 3.14Å; D742-R746 WeakPolarHBondContact O-CB 3.29Å; D742-R746 PolarHBondContact O-N 2.83Å; D742-R746 IonicContact OD1-CZ 3.53Å; D742-R746 IonicContact OD1-NE 2.92Å; D742-R746 IonicContact OD1-NH1 2.71Å; D742-R746 PolarHBondContact OD1-NH1 3.28Å; D742-W747 HydrophobicContact CB-CZ2 4.13Å; D742-W747 PolarHBondContact O-N 2.78Å
743	L	93.1	Very high	92.3	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.084	C	C	.	.	I	π-helix	trans	-60.5	-54.6	179.3	-73	155.6	0	0	0	112.7	W558 L606 L739 W747 A748	W558-L743 HydrophobicContact CD2-CD1 3.91Å; W558-L743 HydrophobicContact CD2-CD2 4.32Å; W558-L743 HydrophobicContact CE3-CD1 3.19Å; W558-L743 HydrophobicContact CE3-CD2 4.39Å; W558-L743 HydrophobicContact CE3-CG 4.39Å; W558-L743 HydrophobicContact CH2-CD1 4.31Å; W558-L743 HydrophobicContact CZ3-CD1 3.41Å; W558-L743 VanDerWaalsContact CZ3-CD1 3.41Å; L606-L743 HydrophobicContact CB-CD2 3.86Å; L606-L743 HydrophobicContact CD1-CD2 4.06Å; L739-L743 WeakPolarHBondContact O-CD1 3.39Å; L739-L743 VanDerWaalsContact O-CG 3.31Å; L739-L743 WeakPolarHBondContact O-CG 3.5Å; L739-L743 PolarHBondContact O-N 2.72Å; L743-W747 HydrophobicContact CD2-CE3 3.63Å; L743-W747 HydrophobicContact CD2-CZ3 3.47Å; L743-W747 VanDerWaalsContact CD2-CZ3 3.47Å; L743-W747 HydrophobicContact CG-CE3 4.11Å; L743-W747 HydrophobicContact CG-CZ3 3.95Å; L743-A748 VanDerWaalsContact O-CB 3.27Å; L743-A748 WeakPolarHBondContact O-CB 3.32Å; L743-A748 PolarHBondContact O-N 2.64Å
744	C	93.5	Very high	92.3	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.083	C	C	.	.	I	π-helix	trans	-83.7	-47.8	-172.5	-70.6	0	0	0	0	112.4	C607 P740 G749 H750	C607-C744 VanDerWaalsContact CA-SG 3.54Å; C607-C744 HydrophobicContact CB-CB 4.01Å; C607-C744 WeakPolarHBondContact CB-SG 3.29Å; C607-C744 WeakPolarHBondContact SG-CA 3.4Å; C607-C744 WeakPolarHBondContact SG-CB 3.39Å; C607-C744 CovalentContact SG-SG 2.04Å; C607-C744 PolarHBondContact SG-SG 2.91Å; P740-C744 WeakPolarHBondContact O-CB 3.32Å; P740-C744 PolarHBondContact O-N 2.92Å; C744-G749 PolarHBondContact O-N 3.13Å; C744-H750 CarbonylContact O-C 3.54Å; C744-H750 VanDerWaalsContact O-C 3.28Å; C744-H750 PolarHBondContact O-N 2.84Å
745	C	90.4	Very high	92.1	Very high	4 Å²	4	16.4 Å²	16.4	3%	0.027	8%	0.084	C	C	.	.	I	π-helix	trans	-81.5	-50.7	-172.9	-50.8	0	0	0	0	111.4	L703 F741 C751	L703-C745 HydrophobicContact CD1-CB 4.06Å; L703-C745 HydrophobicContact CD2-CB 4.23Å; F741-C745 HydrophobicContact CD1-CB 4.23Å; F741-C745 HydrophobicContact CD2-CB 4.19Å; F741-C745 VanDerWaalsContact CD2-SG 3.54Å; F741-C745 HydrophobicContact CE1-CB 4.19Å; F741-C745 HydrophobicContact CE2-CB 4.14Å; F741-C745 HydrophobicContact CG-CB 4.25Å; F741-C745 HydrophobicContact CZ-CB 4.17Å; F741-C745 WeakPolarHBondContact O-CA 3.39Å; F741-C745 WeakPolarHBondContact O-CB 3.45Å; F741-C745 PolarHBondContact O-N 2.8Å; C745-C751 WeakPolarHBondContact CA-SG 3.42Å; C745-C751 HydrophobicContact CB-CB 3.95Å; C745-C751 WeakPolarHBondContact CB-SG 3.01Å; C745-C751 VanDerWaalsContact SG-CB 3.59Å
746	R	88	Confident	91.8	Very high	42 Å²	42	22.4 Å²	22.4	16%	0.158	11%	0.107	C	C	.	.	I	π-helix	trans	-84.6	-40.8	-170.3	-172.2	174.4	-85.4	153.2	-11.3	112.7	Y481 L703 F741 D742	Y481-R746 VanDerWaalsContact CB-CZ 3.48Å; Y481-R746 VanDerWaalsContact CD1-NH1 3.33Å; Y481-R746 WeakPolarHBondContact O-CD 2.96Å; L703-R746 HydrophobicContact CD1-CB 4.23Å; F741-R746 PolarHBondContact O-N 3.45Å; D742-R746 WeakPolarHBondContact O-CB 3.29Å; D742-R746 PolarHBondContact O-N 2.83Å; D742-R746 IonicContact OD1-CZ 3.53Å; D742-R746 IonicContact OD1-NE 2.92Å; D742-R746 IonicContact OD1-NH1 2.71Å; D742-R746 PolarHBondContact OD1-NH1 3.28Å
747	W	90.7	Very high	91.7	Very high	24 Å²	24	25.2 Å²	25.2	9%	0.091	12%	0.117	C	C	.	.	I	π-helix	trans	-96	-47.9	-173.9	-54.9	-14.9	0	0	0	113.3	Y481 T483 P585 G587 W594 W602 A603 D742 L743	Y481-W747 PolarHBondContact O-NE1 2.76Å; T483-W747 HydrophobicContact CG2-CB 3.78Å; T483-W747 HydrophobicContact CG2-CD2 3.83Å; T483-W747 HydrophobicContact CG2-CG 3.37Å; P585-W747 HydrophobicContact CB-CH2 3.9Å; P585-W747 HydrophobicContact CB-CZ2 3.63Å; P585-W747 HydrophobicContact CG-CZ2 4.11Å; G587-W747 VanDerWaalsContact CA-CH2 3.49Å; G587-W747 VanDerWaalsContact N-CH2 3.34Å; G587-W747 VanDerWaalsContact N-CZ2 3.34Å; W594-W747 HydrophobicContact CH2-CZ3 4.16Å; W594-W747 HydrophobicContact CZ3-CH2 4.46Å; W594-W747 AromaticContact CZ3-CZ3 3.94Å; W594-W747 HydrophobicContact CZ3-CZ3 3.94Å; W602-W747 HydrophobicContact CH2-CB 4.37Å; W602-W747 HydrophobicContact CH2-CD2 4.39Å; W602-W747 HydrophobicContact CH2-CE3 4.05Å; W602-W747 HydrophobicContact CZ3-CE3 4.03Å; A603-W747 HydrophobicContact CB-CB 3.92Å; D742-W747 HydrophobicContact CB-CZ2 4.13Å; D742-W747 PolarHBondContact O-N 2.78Å; L743-W747 HydrophobicContact CD2-CE3 3.63Å; L743-W747 HydrophobicContact CD2-CZ3 3.47Å; L743-W747 VanDerWaalsContact CD2-CZ3 3.47Å; L743-W747 HydrophobicContact CG-CE3 4.11Å; L743-W747 HydrophobicContact CG-CZ3 3.95Å
748	A	91.3	Very high	91.7	Very high	15 Å²	15	25.2 Å²	25.2	12%	0.124	12%	0.117	C	C	.	.	S	Bend	trans	-79	-21.2	179.5	0	0	0	0	0	113.1	A603 C607 L743 H750	A603-A748 HydrophobicContact CB-CB 4.1Å; C607-A748 HydrophobicContact CB-CB 4.12Å; L743-A748 VanDerWaalsContact O-CB 3.27Å; L743-A748 WeakPolarHBondContact O-CB 3.32Å; L743-A748 PolarHBondContact O-N 2.64Å; A748-H750 HydrophobicContact CB-CB 4.45Å; A748-H750 PolarHBondContact O-CD2 3.47Å; A748-H750 PolarHBondContact O-N 2.92Å
749	G	87	Confident	91.5	Very high	32 Å²	32	25.4 Å²	25.4	33%	0.33	12%	0.12	S	C	.	.	S	Bend	trans	69.4	17.2	-173.7	0	0	0	0	0	113.9	C744	C744-G749 PolarHBondContact O-N 3.13Å
750	H	88.8	Confident	91.3	Very high	61 Å²	61	25.5 Å²	25.5	28%	0.282	12%	0.12	S	C	.	.			trans	-117.5	64.2	-177.5	-70.1	-68.4	0	0	0	111.1	C744 A748 E752 F753	C744-H750 CarbonylContact O-C 3.54Å; C744-H750 VanDerWaalsContact O-C 3.28Å; C744-H750 PolarHBondContact O-N 2.84Å; A748-H750 HydrophobicContact CB-CB 4.45Å; A748-H750 PolarHBondContact O-CD2 3.47Å; A748-H750 PolarHBondContact O-N 2.92Å; H750-E752 VanDerWaalsContact C-OE2 3.23Å; H750-E752 WeakPolarHBondContact CA-OE2 3.4Å; H750-E752 IonicContact CE1-OE1 3.76Å; H750-E752 IonicContact CG-OE1 2.78Å; H750-E752 IonicContact ND1-OE1 3.14Å; H750-E752 PolarHBondContact ND1-OE1 2.65Å; H750-E752 PolarHBondContact O-N 2.8Å; H750-E752 VanDerWaalsContact O-N 3.12Å; H750-F753 HydrophobicContact CB-CD2 3.62Å; H750-F753 HydrophobicContact CB-CE2 3.83Å; H750-F753 PolarHBondContact O-N 3.4Å
751	C	88.8	Confident	90.9	Very high	4 Å²	4	25.6 Å²	25.6	3%	0.027	12%	0.121	C	C	.	.	H	α-helix	trans	-59.9	-23.9	-177.8	-46.7	0	0	0	0	112.9	Y696 C745 F753 Y754 Y755	Y696-C751 HydrophobicContact CD2-CB 4.23Å; Y696-C751 HydrophobicContact CE1-CB 4.41Å; Y696-C751 HydrophobicContact CE2-CB 3.57Å; C745-C751 WeakPolarHBondContact CA-SG 3.42Å; C745-C751 HydrophobicContact CB-CB 3.95Å; C745-C751 WeakPolarHBondContact CB-SG 3.01Å; C745-C751 VanDerWaalsContact SG-CB 3.59Å; C751-F753 VanDerWaalsContact C-N 3.29Å; C751-F753 PolarHBondContact O-N 2.92Å; C751-Y754 WeakPolarHBondContact O-CB 3.07Å; C751-Y754 PolarHBondContact O-N 3.37Å; C751-Y754 VanDerWaalsContact O-N 3.1Å; C751-Y755 HydrophobicContact CB-CD2 4.25Å; C751-Y755 HydrophobicContact CB-CE2 4.11Å; C751-Y755 PolarHBondContact O-N 2.83Å
752	E	88.4	Confident	90.1	Very high	37 Å²	37	25.7 Å²	25.7	17%	0.173	12%	0.124	C	C	.	.	H	α-helix	trans	-55.1	-40.3	179.3	56.9	-84.3	-164.3	0	0	113	Y696 H750 Y754 Y755 W756	Y696-E752 HydrophobicContact CD1-CB 4.43Å; Y696-E752 HydrophobicContact CE1-CB 3.91Å; Y696-E752 WeakPolarHBondContact CE1-OE2 3.13Å; Y696-E752 PolarHBondContact OH-OE2 3.09Å; H750-E752 VanDerWaalsContact C-OE2 3.23Å; H750-E752 WeakPolarHBondContact CA-OE2 3.4Å; H750-E752 IonicContact CE1-OE1 3.76Å; H750-E752 IonicContact CG-OE1 2.78Å; H750-E752 IonicContact ND1-OE1 3.14Å; H750-E752 PolarHBondContact ND1-OE1 2.65Å; H750-E752 PolarHBondContact O-N 2.8Å; H750-E752 VanDerWaalsContact O-N 3.12Å; E752-Y754 VanDerWaalsContact C-N 3.3Å; E752-Y754 PolarHBondContact O-N 2.78Å; E752-Y755 PolarHBondContact O-N 3.28Å; E752-W756 HydrophobicContact CB-CD2 4.47Å; E752-W756 HydrophobicContact CB-CH2 4.31Å; E752-W756 HydrophobicContact CB-CZ2 3.96Å; E752-W756 HydrophobicContact CG-CH2 4.02Å; E752-W756 HydrophobicContact CG-CZ2 4.16Å; E752-W756 HydrophobicContact CG-CZ3 4.37Å; E752-W756 WeakPolarHBondContact O-CB 3.42Å; E752-W756 VanDerWaalsContact O-CD2 3.32Å; E752-W756 PolarHBondContact O-N 2.82Å
753	F	91.4	Very high	89.8	Confident	42 Å²	42	25.8 Å²	25.8	18%	0.184	13%	0.125	C	C	.	.	H	α-helix	trans	-62.8	-39.9	178.5	-69.9	-68.6	0	0	0	111.5	I608 Y611 H750 C751 W756 R757	I608-F753 HydrophobicContact CG1-CZ 4.34Å; Y611-F753 HydrophobicContact CD1-CD1 4.27Å; Y611-F753 HydrophobicContact CD2-CB 3.82Å; Y611-F753 AromaticContact CD2-CD1 3.88Å; Y611-F753 HydrophobicContact CD2-CD1 3.88Å; Y611-F753 HydrophobicContact CD2-CG 4.33Å; Y611-F753 VanDerWaalsContact CD2-O 3.27Å; Y611-F753 WeakPolarHBondContact CD2-O 3.47Å; Y611-F753 HydrophobicContact CE1-CD1 4.48Å; Y611-F753 HydrophobicContact CE2-CB 4.41Å; Y611-F753 HydrophobicContact CE2-CD1 4.1Å; Y611-F753 WeakPolarHBondContact CE2-O 3.4Å; Y611-F753 HydrophobicContact CG-CB 4.36Å; Y611-F753 AromaticContact CG-CD1 3.97Å; Y611-F753 HydrophobicContact CG-CD1 3.97Å; H750-F753 HydrophobicContact CB-CD2 3.62Å; H750-F753 HydrophobicContact CB-CE2 3.83Å; H750-F753 PolarHBondContact O-N 3.4Å; C751-F753 VanDerWaalsContact C-N 3.29Å; C751-F753 PolarHBondContact O-N 2.92Å; F753-W756 AromaticContact CD1-CE3 3.88Å; F753-W756 HydrophobicContact CD1-CE3 3.88Å; F753-W756 AromaticContact CD1-CZ3 3.71Å; F753-W756 HydrophobicContact CD1-CZ3 3.71Å; F753-W756 HydrophobicContact CE1-CE3 4.34Å; F753-W756 AromaticContact CE1-CZ3 3.72Å; F753-W756 HydrophobicContact CE1-CZ3 3.72Å; F753-W756 HydrophobicContact CG-CZ3 4.48Å; F753-W756 HydrophobicContact CZ-CZ3 4.49Å; F753-R757 PolarHBondContact O-N 2.84Å
754	Y	93.9	Very high	89.1	Confident	4 Å²	4	30.3 Å²	30.3	2%	0.016	15%	0.146	C	C	.	.	H	α-helix	trans	-65.1	-51.1	176.2	-178.7	-99.3	0	0	0	111	W610 V710 D737 P740 F741 C751 E752 W756 R757 R758	W610-Y754 AromaticContact CH2-CD2 3.63Å; W610-Y754 HydrophobicContact CH2-CD2 3.63Å; W610-Y754 HydrophobicContact CH2-CE2 4.33Å; W610-Y754 HydrophobicContact CH2-CG 4.43Å; W610-Y754 HydrophobicContact CZ2-CD2 4.27Å; W610-Y754 HydrophobicContact CZ3-CD2 4.17Å; V710-Y754 HydrophobicContact CG1-CE1 4.45Å; V710-Y754 HydrophobicContact CG2-CE1 3.84Å; V710-Y754 WeakPolarHBondContact CG2-OH 3.44Å; D737-Y754 VanDerWaalsContact O-CE2 3.24Å; D737-Y754 WeakPolarHBondContact O-CE2 3.41Å; D737-Y754 PolarHBondContact O-OH 2.87Å; P740-Y754 HydrophobicContact CB-CD2 3.87Å; P740-Y754 HydrophobicContact CB-CE2 3.93Å; F741-Y754 HydrophobicContact CB-CD2 4.35Å; F741-Y754 HydrophobicContact CB-CE1 4.34Å; F741-Y754 HydrophobicContact CB-CE2 3.99Å; F741-Y754 AromaticContact CD2-CD1 3.97Å; F741-Y754 HydrophobicContact CD2-CD1 3.97Å; F741-Y754 AromaticContact CD2-CE1 3.74Å; F741-Y754 HydrophobicContact CD2-CE1 3.74Å; C751-Y754 WeakPolarHBondContact O-CB 3.07Å; C751-Y754 PolarHBondContact O-N 3.37Å; C751-Y754 VanDerWaalsContact O-N 3.1Å; E752-Y754 VanDerWaalsContact C-N 3.3Å; E752-Y754 PolarHBondContact O-N 2.78Å; Y754-W756 VanDerWaalsContact C-N 3.33Å; Y754-W756 PolarHBondContact O-N 2.63Å; Y754-R757 CarbonylContact O-C 3.44Å; Y754-R757 PolarHBondContact O-N 2.82Å; Y754-R757 VanDerWaalsContact O-N 3.08Å; Y754-R758 HydrophobicContact CD1-CB 4.49Å; Y754-R758 HydrophobicContact CD2-CG 4.42Å; Y754-R758 HydrophobicContact CE1-CB 4.16Å; Y754-R758 HydrophobicContact CE1-CG 4.33Å; Y754-R758 HydrophobicContact CE2-CG 4.01Å; Y754-R758 WeakPolarHBondContact O-CB 3.47Å; Y754-R758 PolarHBondContact O-N 2.82Å
755	Y	91.7	Very high	88.4	Confident	9 Å²	9	35.7 Å²	35.7	4%	0.035	18%	0.175	C	C	.	.	H	α-helix	trans	-68.1	-27	-178.7	-68.3	-39.5	0	0	0	114.2	Y696 Y702 S707 A708 V710 C751 E752 R757 R758 P759	Y696-Y755 HydrophobicContact CD1-CD2 4.41Å; Y696-Y755 HydrophobicContact CD2-CD2 4.17Å; Y696-Y755 AromaticContact CD2-CE2 3.87Å; Y696-Y755 HydrophobicContact CD2-CE2 3.87Å; Y696-Y755 AromaticContact CG-CD2 3.88Å; Y696-Y755 HydrophobicContact CG-CD2 3.88Å; Y696-Y755 HydrophobicContact CG-CE2 4Å; Y702-Y755 HydrophobicContact CE1-CE2 4.17Å; S707-Y755 WeakPolarHBondContact CA-OH 3.32Å; S707-Y755 PolarHBondContact OG-OH 2.83Å; S707-Y755 VanDerWaalsContact OG-OH 3.09Å; A708-Y755 PolarHBondContact N-OH 3.05Å; V710-Y755 HydrophobicContact CG1-CD1 3.93Å; V710-Y755 HydrophobicContact CG1-CE1 3.9Å; C751-Y755 HydrophobicContact CB-CD2 4.25Å; C751-Y755 HydrophobicContact CB-CE2 4.11Å; C751-Y755 PolarHBondContact O-N 2.83Å; E752-Y755 PolarHBondContact O-N 3.28Å; Y755-R757 VanDerWaalsContact C-N 3.3Å; Y755-R757 PolarHBondContact O-N 3.11Å; Y755-R758 CarbonylContact O-C 3.52Å; Y755-R758 VanDerWaalsContact O-C 3.26Å; Y755-R758 PolarHBondContact O-N 2.97Å; Y755-P759 WeakPolarHBondContact O-CA 3.31Å; Y755-P759 WeakPolarHBondContact O-CD 3.12Å
756	W	90.2	Very high	88.1	Confident	157 Å²	157	36.2 Å²	36.2	60%	0.595	18%	0.176	S	C	*	.	H	α-helix	trans	-66.2	-31.5	170.6	-68.8	-20.7	0	0	0	112.7	Y611 E752 F753 Y754	Y611-W756 HydrophobicContact CE2-CB 4.09Å; Y611-W756 HydrophobicContact CE2-CE3 4.15Å; E752-W756 HydrophobicContact CB-CD2 4.47Å; E752-W756 HydrophobicContact CB-CH2 4.31Å; E752-W756 HydrophobicContact CB-CZ2 3.96Å; E752-W756 HydrophobicContact CG-CH2 4.02Å; E752-W756 HydrophobicContact CG-CZ2 4.16Å; E752-W756 HydrophobicContact CG-CZ3 4.37Å; E752-W756 WeakPolarHBondContact O-CB 3.42Å; E752-W756 VanDerWaalsContact O-CD2 3.32Å; E752-W756 PolarHBondContact O-N 2.82Å; F753-W756 AromaticContact CD1-CE3 3.88Å; F753-W756 HydrophobicContact CD1-CE3 3.88Å; F753-W756 AromaticContact CD1-CZ3 3.71Å; F753-W756 HydrophobicContact CD1-CZ3 3.71Å; F753-W756 HydrophobicContact CE1-CE3 4.34Å; F753-W756 AromaticContact CE1-CZ3 3.72Å; F753-W756 HydrophobicContact CE1-CZ3 3.72Å; F753-W756 HydrophobicContact CG-CZ3 4.48Å; F753-W756 HydrophobicContact CZ-CZ3 4.49Å; Y754-W756 VanDerWaalsContact C-N 3.33Å; Y754-W756 PolarHBondContact O-N 2.63Å
757	R	92.8	Very high	87.4	Confident	63 Å²	63	36.9 Å²	36.9	24%	0.238	18%	0.181	C	C	.	.	H	α-helix	trans	-88.2	-19.9	174.5	-68.5	-64.4	-176.9	-157.4	-4	113.7	W610 Y611 G615 F753 Y754 Y755	W610-R757 HydrophobicContact CH2-CB 3.84Å; W610-R757 HydrophobicContact CH2-CG 4.13Å; W610-R757 HydrophobicContact CZ2-CB 4.47Å; W610-R757 HydrophobicContact CZ3-CG 4.37Å; Y611-R757 HydrophobicContact CD2-CG 3.51Å; Y611-R757 HydrophobicContact CE2-CG 3.59Å; Y611-R757 HydrophobicContact CG-CG 4.49Å; Y611-R757 PolarHBondContact O-NE 2.99Å; Y611-R757 PolarHBondContact O-NH2 2.87Å; G615-R757 VanDerWaalsContact CA-NH1 3.35Å; G615-R757 VanDerWaalsContact CA-NH2 3.32Å; F753-R757 PolarHBondContact O-N 2.84Å; Y754-R757 CarbonylContact O-C 3.44Å; Y754-R757 PolarHBondContact O-N 2.82Å; Y754-R757 VanDerWaalsContact O-N 3.08Å; Y755-R757 VanDerWaalsContact C-N 3.3Å; Y755-R757 PolarHBondContact O-N 3.11Å
758	R	93.3	Very high	86.3	Confident	1 Å²	1	36 Å²	36	0%	0.004	18%	0.179	C	C	.	.	S	Bend	trans	-131.4	56.1	-177	-58.9	-70.7	-177.5	-77.4	-7	111	D614 V710 P711 N736 D737 Y754 Y755	D614-R758 IonicContact OD1-CZ 2.74Å; D614-R758 IonicContact OD1-NH1 2.69Å; D614-R758 IonicContact OD1-NH2 3.07Å; D614-R758 PolarHBondContact OD1-NH2 3.04Å; D614-R758 IonicContact OD2-CZ 2.72Å; D614-R758 IonicContact OD2-NH1 2.89Å; D614-R758 PolarHBondContact OD2-NH1 3.08Å; D614-R758 IonicContact OD2-NH2 3.76Å; V710-R758 HydrophobicContact CB-CB 3.93Å; V710-R758 WeakPolarHBondContact CB-O 3.43Å; V710-R758 HydrophobicContact CG1-CB 4.33Å; V710-R758 WeakPolarHBondContact CG1-O 3.46Å; V710-R758 HydrophobicContact CG2-CB 4.08Å; P711-R758 VanDerWaalsContact O-CD 3.25Å; P711-R758 WeakPolarHBondContact O-CD 3.43Å; N736-R758 PolarHBondContact O-NH2 3.15Å; N736-R758 VanDerWaalsContact O-NH2 3.1Å; D737-R758 IonicContact OD1-CZ 3.54Å; D737-R758 IonicContact OD1-NE 2.66Å; D737-R758 PolarHBondContact OD1-NE 2.92Å; D737-R758 VanDerWaalsContact OD1-NE 3.09Å; D737-R758 IonicContact OD1-NH2 2.85Å; Y754-R758 HydrophobicContact CD1-CB 4.49Å; Y754-R758 HydrophobicContact CD2-CG 4.42Å; Y754-R758 HydrophobicContact CE1-CB 4.16Å; Y754-R758 HydrophobicContact CE1-CG 4.33Å; Y754-R758 HydrophobicContact CE2-CG 4.01Å; Y754-R758 WeakPolarHBondContact O-CB 3.47Å; Y754-R758 PolarHBondContact O-N 2.82Å; Y755-R758 CarbonylContact O-C 3.52Å; Y755-R758 VanDerWaalsContact O-C 3.26Å; Y755-R758 PolarHBondContact O-N 2.97Å
759	P	91.3	Very high	84.5	Confident	29 Å²	29	35.7 Å²	35.7	19%	0.188	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-64.1	142.9	178.4	18.5	-23.3	0	0	0	110.5	L621 Y625 S693 P711 Y755 S761	L621-P759 HydrophobicContact CD1-CG 4.08Å; Y625-P759 WeakPolarHBondContact OH-CG 3.36Å; Y625-P759 PolarHBondContact OH-O 3.45Å; S693-P759 VanDerWaalsContact OG-CA 3.29Å; S693-P759 WeakPolarHBondContact OG-CA 3.42Å; P711-P759 WeakPolarHBondContact CD-O 3.37Å; P711-P759 WeakPolarHBondContact CG-O 3.34Å; Y755-P759 WeakPolarHBondContact O-CA 3.31Å; Y755-P759 WeakPolarHBondContact O-CD 3.12Å; P759-S761 PolarHBondContact O-N 2.93Å
760	T	90.6	Very high	82.5	Confident	3 Å²	3	35.4 Å²	35.4	2%	0.018	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-61.5	137.4	175	-56.2	0	0	0	0	110.3	M691 F692 S693 G709 G762	M691-T760 WeakPolarHBondContact O-CG2 3.41Å; F692-T760 HydrophobicContact CD1-CG2 4.11Å; F692-T760 HydrophobicContact CE1-CG2 4.49Å; S693-T760 WeakPolarHBondContact CB-OG1 3.32Å; S693-T760 PolarHBondContact N-OG1 3.18Å; S693-T760 PolarHBondContact OG-N 2.85Å; G709-T760 WeakPolarHBondContact O-CB 3.47Å; G709-T760 WeakPolarHBondContact O-CG2 3.4Å; G709-T760 PolarHBondContact O-OG1 3.35Å; T760-G762 PolarHBondContact O-N 2.81Å
761	S	86.8	Confident	80.2	Confident	3 Å²	3	34 Å²	34	2%	0.021	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-70.7	125	173.1	-167.7	0	0	0	0	109.9	Y625 Q680 P759	Y625-S761 VanDerWaalsContact CD1-OG 3.26Å; Y625-S761 WeakPolarHBondContact CD1-OG 3.25Å; Q680-S761 PolarHBondContact NE2-OG 3.34Å; Q680-S761 VanDerWaalsContact NE2-OG 3.13Å; P759-S761 PolarHBondContact O-N 2.93Å
762	G	77.9	Confident	78.2	Confident	9 Å²	9	41.3 Å²	41.3	9%	0.093	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-70.4	162.6	170.9	0	0	0	0	0	112.4	T760	T760-G762 PolarHBondContact O-N 2.81Å
763	C	85	Confident	76	Confident	3 Å²	3	40.8 Å²	40.8	2%	0.02	20%	0.197	C	C	.	.	S	Bend	trans	-96	13.2	-177.8	72.7	0	0	0	0	113.6	C630 C632 L690 N765 Y766 S1141	C630-C763 WeakPolarHBondContact O-CA 3.48Å; C630-C763 WeakPolarHBondContact O-CB 3.42Å; C632-C763 WeakPolarHBondContact CA-SG 3.4Å; C632-C763 HydrophobicContact CB-CB 3.84Å; C632-C763 WeakPolarHBondContact CB-SG 3.4Å; C632-C763 WeakPolarHBondContact SG-CB 3.34Å; C632-C763 CovalentContact SG-SG 2.03Å; C632-C763 PolarHBondContact SG-SG 3.27Å; L690-C763 HydrophobicContact CD2-CB 4.48Å; C763-N765 VanDerWaalsContact C-N 3.26Å; C763-N765 PolarHBondContact O-N 3.35Å; C763-Y766 WeakPolarHBondContact O-CB 3.48Å; C763-Y766 PolarHBondContact O-N 2.79Å; C763-S1141 WeakPolarHBondContact SG-CB 3.23Å
764	Q	79.6	Confident	73.6	Confident	94 Å²	94	48.8 Å²	48.8	44%	0.439	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-31.2	-175	-47.2	96.8	-48.7	0	0	112.9	S1141	Q764-S1141 WeakPolarHBondContact CG-O 3.31Å
765	N	78.2	Confident	71	Confident	114 Å²	114	53.8 Å²	53.8	61%	0.61	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-2.7	174.7	-65	-27.8	0	0	0	112.4	P629 C763 E767	P629-N765 HydrophobicContact CB-CB 4.2Å; P629-N765 HydrophobicContact CG-CB 4.43Å; P629-N765 WeakPolarHBondContact CG-O 3.4Å; C763-N765 VanDerWaalsContact C-N 3.26Å; C763-N765 PolarHBondContact O-N 3.35Å; N765-E767 PolarHBondContact O-N 2.8Å; N765-E767 VanDerWaalsContact O-N 3.1Å
766	Y	84.2	Confident	68.5	Low	15 Å²	15	58.4 Å²	58.4	6%	0.059	27%	0.272	C	S	.	.			trans	-66.9	114.4	174.9	-177.8	-106.4	0	0	0	107.8	P629 C630 P631 Q636 D640 F644 C763 P768	P629-Y766 HydrophobicContact CG-CD2 4.29Å; C630-Y766 WeakPolarHBondContact O-CB 3.46Å; P631-Y766 HydrophobicContact CB-CD1 4.39Å; P631-Y766 HydrophobicContact CB-CD2 4.35Å; P631-Y766 HydrophobicContact CB-CE1 3.9Å; P631-Y766 HydrophobicContact CB-CE2 3.89Å; P631-Y766 HydrophobicContact CG-CD2 4.27Å; P631-Y766 HydrophobicContact CG-CE2 3.66Å; Q636-Y766 HydrophobicContact CB-CE1 4.17Å; Q636-Y766 HydrophobicContact CG-CE1 4.36Å; D640-Y766 WeakPolarHBondContact OD2-CE2 3.17Å; D640-Y766 PolarHBondContact OD2-OH 2.85Å; F644-Y766 HydrophobicContact CE2-CE2 4.35Å; C763-Y766 WeakPolarHBondContact O-CB 3.48Å; C763-Y766 PolarHBondContact O-N 2.79Å; Y766-P768 HydrophobicContact CD1-CB 4.25Å; Y766-P768 HydrophobicContact CD1-CG 4.48Å; Y766-P768 HydrophobicContact CE1-CB 3.79Å; Y766-P768 HydrophobicContact CE1-CG 4.5Å; Y766-P768 WeakPolarHBondContact O-CD 3.48Å
767	E	73.3	Confident	66.3	Low	56 Å²	56	55 Å²	55	26%	0.262	27%	0.272	S	S	.	.			trans	-86.6	102.2	166.2	-162.6	179.8	151.8	0	0	106	R643 N765 T771 P952 K958	R643-E767 PolarHBondContact NH2-O 2.98Å; R643-E767 VanDerWaalsContact NH2-O 3.14Å; N765-E767 PolarHBondContact O-N 2.8Å; N765-E767 VanDerWaalsContact O-N 3.1Å; E767-T771 HydrophobicContact CG-CG2 4.12Å; E767-T771 WeakPolarHBondContact OE1-CG2 3.36Å; E767-T771 PolarHBondContact OE1-OG1 3.04Å; E767-P952 HydrophobicContact CB-CG 4.42Å; E767-P952 HydrophobicContact CG-CG 4.4Å; E767-K958 IonicContact OE1-NZ 3.47Å; E767-K958 PolarHBondContact OE1-NZ 2.92Å; E767-K958 IonicContact OE2-NZ 3Å; E767-K958 PolarHBondContact OE2-NZ 3.22Å
768	P	67.6	Low	64	Low	6 Å²	6	59 Å²	59	4%	0.039	30%	0.297	C	S	.	.			trans	-59.4	164.1	162.1	23.6	-27	0	0	0	107.8	Y766 V770 K1138	Y766-P768 HydrophobicContact CD1-CB 4.25Å; Y766-P768 HydrophobicContact CD1-CG 4.48Å; Y766-P768 HydrophobicContact CE1-CB 3.79Å; Y766-P768 HydrophobicContact CE1-CG 4.5Å; Y766-P768 WeakPolarHBondContact O-CD 3.48Å; P768-V770 PolarHBondContact O-N 2.74Å; P768-K1138 HydrophobicContact CG-CB 4.21Å; P768-K1138 HydrophobicContact CG-CG 4.2Å
769	A	53.8	Low	61.7	Low	8 Å²	8	66.4 Å²	66.4	7%	0.066	34%	0.336	C	S	.	.	S	Bend	trans	-61.8	9.6	-175.4	0	0	0	0	0	116	V790 K791 N792 E1136	A769-V790 CarbonylContact O-C 3.53Å; A769-K791 WeakPolarHBondContact O-CA 3.49Å; A769-N792 VanDerWaalsContact CA-CG 3.4Å; A769-N792 VanDerWaalsContact CA-ND2 3.33Å; A769-N792 WeakPolarHBondContact CA-ND2 3.25Å; A769-N792 WeakPolarHBondContact CA-OD1 3.44Å; A769-N792 HydrophobicContact CB-CB 3.37Å; A769-N792 VanDerWaalsContact CB-ND2 3.27Å; A769-N792 WeakPolarHBondContact CB-ND2 3.02Å; A769-N792 PolarHBondContact O-OD1 3.01Å; A769-E1136 HydrophobicContact CB-CG 3.82Å
770	V	45	Very low	59.2	Low	25 Å²	25	73.7 Å²	73.7	15%	0.152	37%	0.365	C	S	.	.			trans	-110.1	109.9	173.1	177.1	0	0	0	0	110.3	P768 I789 V790 E1136	P768-V770 PolarHBondContact O-N 2.74Å; V770-I789 HydrophobicContact CB-CG2 4.31Å; V770-I789 HydrophobicContact CG1-CG2 3.72Å; V770-I789 HydrophobicContact CG2-CG2 3.67Å; V770-V790 WeakPolarHBondContact CA-O 3.45Å; V770-E1136 HydrophobicContact CG2-CB 3.62Å; V770-E1136 HydrophobicContact CG2-CG 4.49Å; V770-E1136 WeakPolarHBondContact CG2-O 3.34Å
771	T	41.4	Very low	56.8	Low	31 Å²	31	83.1 Å²	83.1	19%	0.19	41%	0.406	C	S	.	.			trans	-108.5	127.7	155.2	18.5	0	0	0	0	110	E767 V790 R955	E767-T771 HydrophobicContact CG-CG2 4.12Å; E767-T771 WeakPolarHBondContact OE1-CG2 3.36Å; E767-T771 PolarHBondContact OE1-OG1 3.04Å; T771-V790 VanDerWaalsContact O-CG2 3.24Å; T771-V790 WeakPolarHBondContact O-CG2 3.32Å; T771-R955 VanDerWaalsContact CB-NH1 3.29Å; T771-R955 PolarHBondContact OG1-NH1 3.21Å
772	E	45.9	Very low	54.8	Low	159 Å²	159	85.5 Å²	85.5	74%	0.743	42%	0.422	S	S	*	.			trans	-57.5	136.5	156.9	-68.8	179.5	170.4	0	0	107.8	Y774	E772-Y774 PolarHBondContact O-N 3.23Å
773	P	42.2	Very low	53.3	Low	26 Å²	26	93.1 Å²	93.1	17%	0.169	46%	0.455	C	S	.	.			trans	-60.7	124.6	170.6	24.1	-32.2	0	0	0	108.8	Y775 V785 A788	P773-Y775 HydrophobicContact CB-CD2 3.61Å; P773-Y775 HydrophobicContact CB-CE2 3.49Å; P773-Y775 VanDerWaalsContact CB-CE2 3.49Å; P773-Y775 HydrophobicContact CG-CD2 3.67Å; P773-Y775 HydrophobicContact CG-CE2 3.51Å; P773-Y775 PolarHBondContact O-N 2.83Å; P773-V785 HydrophobicContact CG-CG1 4.45Å; P773-A788 WeakPolarHBondContact CD-O 3.32Å; P773-A788 HydrophobicContact CG-CB 3.56Å
774	Y	40	Very low	51.1	Low	209 Å²	209	100.3 Å²	100.3	82%	0.82	49%	0.493	S	S	*	.			trans	-68.1	80.2	163.1	-173.4	-92.4	0	0	0	107.3	E772	E772-Y774 PolarHBondContact O-N 3.23Å
775	Y	40.3	Very low	49.4	Very low	110 Å²	110	98.6 Å²	98.6	43%	0.431	49%	0.489	S	S	.	.			trans	-76.1	125.5	159.3	-76.1	-76.2	0	0	0	106.6	P773 C777 V785	P773-Y775 HydrophobicContact CB-CD2 3.61Å; P773-Y775 HydrophobicContact CB-CE2 3.49Å; P773-Y775 VanDerWaalsContact CB-CE2 3.49Å; P773-Y775 HydrophobicContact CG-CD2 3.67Å; P773-Y775 HydrophobicContact CG-CE2 3.51Å; P773-Y775 PolarHBondContact O-N 2.83Å; Y775-C777 VanDerWaalsContact C-N 3.26Å; Y775-C777 PolarHBondContact O-N 3.23Å; Y775-C777 PolarHBondContact O-SG 3.15Å; Y775-V785 HydrophobicContact CD2-CG1 3.62Å; Y775-V785 HydrophobicContact CE2-CG1 3.7Å
776	D	39.3	Very low	47.6	Very low	105 Å²	105	104.2 Å²	104.2	56%	0.561	50%	0.501	S	S	*	.			trans	-63.5	93.8	166.4	-173.9	2.6	0	0	0	107.4	L778	D776-L778 PolarHBondContact O-N 3.17Å; D776-L778 WeakPolarHBondContact OD1-CD1 3.17Å
777	C	43.6	Very low	45.5	Very low	87 Å²	87	110.3 Å²	110.3	59%	0.588	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	17	-172.7	-64.7	0	0	0	0	113.8	Y775 C782	Y775-C777 VanDerWaalsContact C-N 3.26Å; Y775-C777 PolarHBondContact O-N 3.23Å; Y775-C777 PolarHBondContact O-SG 3.15Å; C777-C782 PolarHBondContact SG-SG 3.14Å
778	L	45	Very low	44	Very low	146 Å²	146	108.9 Å²	108.9	76%	0.764	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-19.2	-177	-82.2	167.4	0	0	0	114	D776	D776-L778 PolarHBondContact O-N 3.17Å; D776-L778 WeakPolarHBondContact OD1-CD1 3.17Å
779	L	45.1	Very low	43.1	Very low	157 Å²	157	112.2 Å²	112.2	82%	0.822	55%	0.55	S	S	*	.	S	Bend	trans	-125.7	-15.6	-172.2	-87.2	154.3	0	0	0	117.2
780	F	38.4	Very low	42.9	Very low	182 Å²	182	111.9 Å²	111.9	80%	0.798	55%	0.547	S	S	*	.	S	Bend	trans	-135.1	129	175.5	-90.6	-92.3	0	0	0	111.8	C782	F780-C782 PolarHBondContact O-N 2.87Å; F780-C782 PolarHBondContact O-SG 3.49Å
781	K	39.8	Very low	43.8	Very low	200 Å²	200	113.1 Å²	113.1	87%	0.87	55%	0.55	S	S	*	*			trans	-57.1	114.8	176.9	-72.9	178.5	173.5	-177.3	0	110.5	E783	K781-E783 PolarHBondContact O-N 2.86Å
782	C	45.2	Very low	45.3	Very low	53 Å²	53	112 Å²	112	36%	0.358	54%	0.543	S	S	.	.	G	3₁₀ helix	trans	-79.1	34.3	-176.8	-63.8	0	0	0	0	114.9	C777 F780 N784	C777-C782 PolarHBondContact SG-SG 3.14Å; F780-C782 PolarHBondContact O-N 2.87Å; F780-C782 PolarHBondContact O-SG 3.49Å; C782-N784 PolarHBondContact O-N 2.87Å; C782-N784 VanDerWaalsContact O-N 3.16Å
783	E	45.9	Very low	47.4	Very low	170 Å²	170	104.8 Å²	104.8	79%	0.794	51%	0.509	S	S	*	.	G	3₁₀ helix	trans	-66.8	-18.8	-179.5	-135.3	164.4	-168	0	0	112.1	K781	K781-E783 PolarHBondContact O-N 2.86Å
784	N	40.2	Very low	49.8	Very low	154 Å²	154	103.5 Å²	103.5	82%	0.824	50%	0.501	S	S	*	.	G	3₁₀ helix	trans	-115.1	4.7	-177.5	-68.1	-23.5	0	0	0	115.9	C782	C782-N784 PolarHBondContact O-N 2.87Å; C782-N784 VanDerWaalsContact O-N 3.16Å
785	V	42.6	Very low	52.5	Low	57 Å²	57	93.6 Å²	93.6	35%	0.345	46%	0.462	S	S	.	.			trans	-100.5	-0.4	-172.6	-168.9	0	0	0	0	113.7	P773 Y775 N787 A788	P773-V785 HydrophobicContact CG-CG1 4.45Å; Y775-V785 HydrophobicContact CD2-CG1 3.62Å; Y775-V785 HydrophobicContact CE2-CG1 3.7Å; V785-N787 PolarHBondContact O-N 3.21Å; V785-A788 PolarHBondContact O-N 3.14Å
786	R	40.7	Very low	55.2	Low	232 Å²	232	88.3 Å²	88.3	88%	0.875	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-9.8	179.1	-85.5	-176.8	175.6	166.7	-0.8	115.8
787	N	41.1	Very low	58	Low	143 Å²	143	83.7 Å²	83.7	77%	0.765	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.4	0.5	-171.8	-66.9	-11.6	0	0	0	115.3	V785 I789	V785-N787 PolarHBondContact O-N 3.21Å; N787-I789 VanDerWaalsContact C-N 3.35Å; N787-I789 PolarHBondContact O-N 2.7Å
788	A	41.6	Very low	60.4	Low	26 Å²	26	79.8 Å²	79.8	22%	0.215	39%	0.391	C	S	.	.			trans	-78.8	87.3	175.6	0	0	0	0	0	109.6	P773 V785	P773-A788 WeakPolarHBondContact CD-O 3.32Å; P773-A788 HydrophobicContact CG-CB 3.56Å; V785-A788 PolarHBondContact O-N 3.14Å
789	I	48	Very low	62.7	Low	77 Å²	77	73 Å²	73	40%	0.395	36%	0.355	S	S	.	.			trans	-99.6	110.5	175.9	-64.2	175.8	0	0	0	105.9	V770 N787 K791	V770-I789 HydrophobicContact CB-CG2 4.31Å; V770-I789 HydrophobicContact CG1-CG2 3.72Å; V770-I789 HydrophobicContact CG2-CG2 3.67Å; N787-I789 VanDerWaalsContact C-N 3.35Å; N787-I789 PolarHBondContact O-N 2.7Å; I789-K791 HydrophobicContact CG2-CD 4.43Å; I789-K791 HydrophobicContact CG2-CG 3.81Å
790	V	49.9	Very low	65	Low	0 Å²	0	65.9 Å²	65.9	0%	0	32%	0.32	C	S	.	.			trans	-71.3	142.5	169.4	-173.3	0	0	0	0	107.4	A769 V770 T771 Y1001	A769-V790 CarbonylContact O-C 3.53Å; V770-V790 WeakPolarHBondContact CA-O 3.45Å; T771-V790 VanDerWaalsContact O-CG2 3.24Å; T771-V790 WeakPolarHBondContact O-CG2 3.32Å; V790-Y1001 HydrophobicContact CG1-CD2 4.07Å; V790-Y1001 HydrophobicContact CG1-CE2 3.55Å
791	K	64.3	Low	67.8	Low	52 Å²	52	57.3 Å²	57.3	23%	0.226	28%	0.282	C	S	.	.			trans	-137.6	131	-176.3	-60.2	-175.8	-166.2	-176.2	0	108	A769 I789 L793 F805 K1132 E1136	A769-K791 WeakPolarHBondContact O-CA 3.49Å; I789-K791 HydrophobicContact CG2-CD 4.43Å; I789-K791 HydrophobicContact CG2-CG 3.81Å; K791-L793 VanDerWaalsContact C-N 3.32Å; K791-L793 PolarHBondContact O-N 2.6Å; K791-F805 VanDerWaalsContact CB-O 3.22Å; K791-F805 WeakPolarHBondContact CB-O 3.38Å; K791-F805 CarbonylContact O-C 3.45Å; K791-F805 WeakPolarHBondContact O-CB 3.36Å; K791-K1132 HydrophobicContact CD-CD 4.2Å; K791-E1136 WeakPolarHBondContact CA-OE1 3.38Å; K791-E1136 VanDerWaalsContact CB-CD 3.48Å; K791-E1136 VanDerWaalsContact CB-OE1 3.23Å; K791-E1136 WeakPolarHBondContact CB-OE1 3.49Å; K791-E1136 WeakPolarHBondContact CB-OE2 3.43Å; K791-E1136 WeakPolarHBondContact CD-OE2 3.32Å; K791-E1136 WeakPolarHBondContact CG-OE2 3.3Å
792	N	72.7	Confident	70.5	Confident	8 Å²	8	47.9 Å²	47.9	4%	0.043	24%	0.241	C	C	.	.	S	Bend	trans	-86.4	-8.2	-168.3	-65.7	8.4	0	0	0	113.4	A769 F805 L950 Y1001 E1136	A769-N792 VanDerWaalsContact CA-CG 3.4Å; A769-N792 VanDerWaalsContact CA-ND2 3.33Å; A769-N792 WeakPolarHBondContact CA-ND2 3.25Å; A769-N792 WeakPolarHBondContact CA-OD1 3.44Å; A769-N792 HydrophobicContact CB-CB 3.37Å; A769-N792 VanDerWaalsContact CB-ND2 3.27Å; A769-N792 WeakPolarHBondContact CB-ND2 3.02Å; A769-N792 PolarHBondContact O-OD1 3.01Å; N792-F805 WeakPolarHBondContact O-CD1 3.44Å; N792-F805 WeakPolarHBondContact O-CE1 2.8Å; N792-L950 VanDerWaalsContact CB-O 3.29Å; N792-L950 WeakPolarHBondContact CB-O 3.36Å; N792-L950 PolarHBondContact ND2-O 2.88Å; N792-L950 PolarHBondContact O-N 2.94Å; N792-Y1001 PolarHBondContact OD1-OH 3.41Å; N792-E1136 PolarHBondContact N-OE1 3.48Å; N792-E1136 VanDerWaalsContact N-OE1 3.07Å
793	L	89.1	Confident	72.9	Confident	6 Å²	6	45.4 Å²	45.4	3%	0.031	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	124.5	179.8	-71.6	-180	0	0	0	111.7	V639 F641 K791 T947 V948 A949 F1128 K1132	V639-L793 HydrophobicContact CB-CD1 4.47Å; V639-L793 HydrophobicContact CG1-CD1 3.43Å; V639-L793 VanDerWaalsContact CG1-CD1 3.43Å; V639-L793 HydrophobicContact CG1-CD2 4.28Å; V639-L793 HydrophobicContact CG1-CG 3.89Å; V639-L793 HydrophobicContact CG2-CD1 4.37Å; F641-L793 HydrophobicContact CE1-CD2 3.87Å; F641-L793 HydrophobicContact CZ-CD2 4.27Å; K791-L793 VanDerWaalsContact C-N 3.32Å; K791-L793 PolarHBondContact O-N 2.6Å; L793-T947 HydrophobicContact CD2-CG2 4.02Å; L793-V948 WeakPolarHBondContact CA-O 3.29Å; L793-A949 HydrophobicContact CD2-CB 3.81Å; L793-F1128 HydrophobicContact CB-CE2 3.84Å; L793-F1128 HydrophobicContact CB-CZ 3.86Å; L793-F1128 HydrophobicContact CD1-CE2 4.22Å; L793-K1132 HydrophobicContact CB-CD 4.43Å; L793-K1132 HydrophobicContact CD1-CB 4.34Å; L793-K1132 HydrophobicContact CD1-CG 4.44Å; L793-K1132 WeakPolarHBondContact O-CE 3.41Å; L793-K1132 PolarHBondContact O-NZ 2.84Å
794	G	92.9	Very high	75.1	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	147.7	163.6	0	0	0	0	0	109.9	I803 F805 T947 V948	G794-I803 CarbonylContact C-O 3.31Å; G794-I803 WeakPolarHBondContact CA-O 3.5Å; G794-F805 VanDerWaalsContact N-CD1 3.32Å; G794-T947 CarbonylContact O-C 3.49Å; G794-T947 WeakPolarHBondContact O-CA 3.23Å; G794-V948 PolarHBondContact N-O 3.11Å; G794-V948 VanDerWaalsContact N-O 3.11Å; G794-V948 PolarHBondContact O-N 3.28Å
795	T	96.6	Very high	77.4	Confident	0 Å²	0	30 Å²	30	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	148.8	-180	-163.4	0	0	0	0	112.8	Y797 F802 I803 V946 T947 F1128	T795-Y797 HydrophobicContact CG2-CD1 3.83Å; T795-Y797 HydrophobicContact CG2-CE1 4Å; T795-F802 WeakPolarHBondContact O-CA 3.45Å; T795-I803 HydrophobicContact CG2-CB 4.04Å; T795-I803 HydrophobicContact CG2-CD1 4.01Å; T795-I803 HydrophobicContact CG2-CG1 4.28Å; T795-I803 PolarHBondContact N-O 2.84Å; T795-I803 PolarHBondContact O-N 2.88Å; T795-V946 CarbonylContact C-O 3.55Å; T795-V946 VanDerWaalsContact CA-O 3.24Å; T795-V946 WeakPolarHBondContact CA-O 3.47Å; T795-V946 PolarHBondContact OG1-O 2.79Å; T795-T947 PolarHBondContact OG1-OG1 3.24Å; T795-F1128 HydrophobicContact CG2-CB 4.44Å; T795-F1128 HydrophobicContact CG2-CD1 3.65Å; T795-F1128 HydrophobicContact CG2-CD2 3.62Å; T795-F1128 HydrophobicContact CG2-CE1 3.66Å; T795-F1128 HydrophobicContact CG2-CE2 3.63Å; T795-F1128 HydrophobicContact CG2-CG 3.62Å; T795-F1128 HydrophobicContact CG2-CZ 3.64Å
796	A	98	Very high	79.3	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	132.8	170.3	0	0	0	0	0	109.3	H801 F802 L820 I861 Q945 V946	A796-H801 CarbonylContact C-O 3.57Å; A796-H801 VanDerWaalsContact CA-O 3.29Å; A796-H801 WeakPolarHBondContact CA-O 3.38Å; A796-F802 HydrophobicContact CB-CD1 3.54Å; A796-F802 HydrophobicContact CB-CE1 3.51Å; A796-F802 HydrophobicContact CB-CG 4.45Å; A796-F802 HydrophobicContact CB-CZ 4.39Å; A796-L820 HydrophobicContact CB-CD1 4.04Å; A796-I861 HydrophobicContact CB-CD1 3.61Å; A796-Q945 CarbonylContact O-C 3.42Å; A796-Q945 WeakPolarHBondContact O-CA 3.48Å; A796-V946 PolarHBondContact N-O 3.11Å; A796-V946 PolarHBondContact O-N 3.43Å
797	Y	97.6	Very high	81.4	Confident	7 Å²	7	18 Å²	18	3%	0.027	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	170.3	-170.2	62.5	-76.6	0	0	0	111.4	T795 H801 I803 T1121 A1124 E1125	T795-Y797 HydrophobicContact CG2-CD1 3.83Å; T795-Y797 HydrophobicContact CG2-CE1 4Å; Y797-H801 HydrophobicContact CD1-CB 4.39Å; Y797-H801 HydrophobicContact CD2-CB 4.27Å; Y797-H801 HydrophobicContact CE1-CB 4.02Å; Y797-H801 HydrophobicContact CE2-CB 3.89Å; Y797-H801 HydrophobicContact CG-CB 4.49Å; Y797-H801 PolarHBondContact N-O 2.71Å; Y797-H801 WeakPolarHBondContact O-CB 3.17Å; Y797-H801 PolarHBondContact O-N 2.67Å; Y797-I803 HydrophobicContact CE1-CD1 3.9Å; Y797-I803 HydrophobicContact CE1-CG1 3.95Å; Y797-T1121 HydrophobicContact CD2-CG2 3.88Å; Y797-T1121 HydrophobicContact CE2-CG2 3.8Å; Y797-A1124 HydrophobicContact CD2-CB 4.28Å; Y797-E1125 HydrophobicContact CE2-CB 3.83Å; Y797-E1125 PolarHBondContact OH-OE2 3.01Å
798	G	94.4	Very high	83.7	Confident	6 Å²	6	11.9 Å²	11.9	6%	0.062	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	-148.6	177.4	0	0	0	0	0	113.7	G800 D1108 T1121	G798-G800 VanDerWaalsContact C-N 3.32Å; G798-G800 PolarHBondContact O-N 3.32Å; G798-D1108 WeakPolarHBondContact CA-OD2 3.36Å; G798-T1121 WeakPolarHBondContact CA-OG1 3.1Å
799	H	93.3	Very high	86.1	Confident	3 Å²	3	13.6 Å²	13.6	1%	0.014	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	70.1	176.8	-56.9	61.1	0	0	0	110.8	N813 A858 T859 V860 F1107 D1108 V1111	H799-N813 PolarHBondContact O-ND2 2.83Å; H799-N813 PolarHBondContact O-OD1 2.81Å; H799-A858 HydrophobicContact CB-CB 3.95Å; H799-T859 CarbonylContact C-O 3.53Å; H799-T859 VanDerWaalsContact C-O 3.28Å; H799-T859 VanDerWaalsContact CA-O 3.24Å; H799-T859 WeakPolarHBondContact CA-O 3.4Å; H799-V860 HydrophobicContact CB-CG1 4.48Å; H799-F1107 HydrophobicContact CB-CD1 4.48Å; H799-F1107 HydrophobicContact CB-CE1 4.24Å; H799-D1108 WeakPolarHBondContact CB-OD1 3.4Å; H799-D1108 IonicContact CE1-OD2 2.67Å; H799-D1108 IonicContact CG-OD1 3.12Å; H799-D1108 IonicContact CG-OD2 3.17Å; H799-D1108 PolarHBondContact N-OD1 3.32Å; H799-D1108 PolarHBondContact N-OD2 2.93Å; H799-D1108 VanDerWaalsContact N-OD2 3.07Å; H799-D1108 IonicContact ND1-OD1 3.94Å; H799-D1108 PolarHBondContact ND1-OD1 3.41Å; H799-D1108 VanDerWaalsContact ND1-OD1 3.08Å; H799-D1108 IonicContact ND1-OD2 3.81Å; H799-D1108 PolarHBondContact ND1-OD2 2.88Å; H799-V1111 HydrophobicContact CB-CG2 4.34Å
800	G	93.6	Very high	88.2	Confident	7 Å²	7	10.1 Å²	10.1	7%	0.072	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.8	33.4	174.1	0	0	0	0	0	114	G798 F802 T811 F812 T859	G798-G800 VanDerWaalsContact C-N 3.32Å; G798-G800 PolarHBondContact O-N 3.32Å; G800-F802 VanDerWaalsContact O-CD2 3.3Å; G800-F802 WeakPolarHBondContact O-CD2 3.46Å; G800-F802 VanDerWaalsContact O-CE2 3.27Å; G800-F802 WeakPolarHBondContact O-CE2 3.48Å; G800-T811 CarbonylContact O-C 3.59Å; G800-T811 VanDerWaalsContact O-CA 3.27Å; G800-T811 WeakPolarHBondContact O-CA 3.45Å; G800-F812 VanDerWaalsContact CA-O 3.25Å; G800-F812 WeakPolarHBondContact CA-O 3.36Å; G800-F812 PolarHBondContact O-N 2.82Å; G800-T859 PolarHBondContact N-O 3.18Å
801	H	96.6	Very high	90.3	Very high	2 Å²	2	11.2 Å²	11.2	1%	0.009	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	140.9	175.4	-58.3	-53.4	0	0	0	111.6	A796 Y797 T811 S1104 F1107 D1108	A796-H801 CarbonylContact C-O 3.57Å; A796-H801 VanDerWaalsContact CA-O 3.29Å; A796-H801 WeakPolarHBondContact CA-O 3.38Å; Y797-H801 HydrophobicContact CD1-CB 4.39Å; Y797-H801 HydrophobicContact CD2-CB 4.27Å; Y797-H801 HydrophobicContact CE1-CB 4.02Å; Y797-H801 HydrophobicContact CE2-CB 3.89Å; Y797-H801 HydrophobicContact CG-CB 4.49Å; Y797-H801 PolarHBondContact N-O 2.71Å; Y797-H801 WeakPolarHBondContact O-CB 3.17Å; Y797-H801 PolarHBondContact O-N 2.67Å; H801-T811 PolarHBondContact CE1-OG1 2.62Å; H801-T811 WeakPolarHBondContact ND1-CG2 3.47Å; H801-T811 PolarHBondContact ND1-OG1 3.2Å; H801-S1104 VanDerWaalsContact CD2-CB 3.46Å; H801-S1104 WeakPolarHBondContact CD2-CB 3.28Å; H801-S1104 WeakPolarHBondContact NE2-CA 3.43Å; H801-S1104 PolarHBondContact NE2-O 3.1Å; H801-F1107 AromaticContact CE1-CD1 3.52Å; H801-F1107 AromaticContact CE1-CG 3.66Å; H801-F1107 AromaticContact NE2-CD1 3.65Å; H801-D1108 IonicContact CD2-OD1 2.74Å; H801-D1108 PolarHBondContact CD2-OD1 2.94Å; H801-D1108 IonicContact NE2-OD1 2.89Å; H801-D1108 PolarHBondContact NE2-OD1 3.03Å
802	F	96.7	Very high	91.7	Very high	3 Å²	3	8.9 Å²	8.9	1%	0.013	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	141.6	-176.7	-60.9	-95.4	0	0	0	110.5	T795 A796 G800 K809 Y810 F812 L820 L997 L998	T795-F802 WeakPolarHBondContact O-CA 3.45Å; A796-F802 HydrophobicContact CB-CD1 3.54Å; A796-F802 HydrophobicContact CB-CE1 3.51Å; A796-F802 HydrophobicContact CB-CG 4.45Å; A796-F802 HydrophobicContact CB-CZ 4.39Å; G800-F802 VanDerWaalsContact O-CD2 3.3Å; G800-F802 WeakPolarHBondContact O-CD2 3.46Å; G800-F802 VanDerWaalsContact O-CE2 3.27Å; G800-F802 WeakPolarHBondContact O-CE2 3.48Å; F802-K809 WeakPolarHBondContact O-CA 3.41Å; F802-Y810 HydrophobicContact CB-CD1 3.9Å; F802-Y810 HydrophobicContact CB-CE1 3.4Å; F802-Y810 HydrophobicContact CB-CE2 4.4Å; F802-Y810 HydrophobicContact CD2-CE1 4.4Å; F802-Y810 AromaticContact CD2-CE2 3.91Å; F802-Y810 HydrophobicContact CD2-CE2 3.91Å; F802-Y810 AromaticContact CD2-CZ 3.81Å; F802-Y810 HydrophobicContact CG-CE1 4.01Å; F802-Y810 HydrophobicContact CG-CE2 4.3Å; F802-Y810 AromaticContact CG-CZ 3.72Å; F802-Y810 PolarHBondContact N-O 3.33Å; F802-Y810 PolarHBondContact O-N 3.1Å; F802-Y810 VanDerWaalsContact O-N 3.12Å; F802-F812 HydrophobicContact CD2-CB 4.28Å; F802-F812 HydrophobicContact CE2-CB 3.86Å; F802-F812 HydrophobicContact CE2-CD1 4.17Å; F802-F812 HydrophobicContact CZ-CD1 4.34Å; F802-L820 HydrophobicContact CD1-CD1 4.14Å; F802-L820 HydrophobicContact CE1-CD1 3.83Å; F802-L997 HydrophobicContact CD1-CB 4.27Å; F802-L997 HydrophobicContact CE1-CB 4.05Å; F802-L997 HydrophobicContact CE1-CD1 4.06Å; F802-L997 HydrophobicContact CZ-CD1 4.1Å; F802-L998 HydrophobicContact CD1-CD2 4.35Å
803	I	94.4	Very high	92.6	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	112.9	163.1	-56.6	165.8	0	0	0	106	G794 T795 Y797 T808 K809 E1125 F1128	G794-I803 CarbonylContact C-O 3.31Å; G794-I803 WeakPolarHBondContact CA-O 3.5Å; T795-I803 HydrophobicContact CG2-CB 4.04Å; T795-I803 HydrophobicContact CG2-CD1 4.01Å; T795-I803 HydrophobicContact CG2-CG1 4.28Å; T795-I803 PolarHBondContact N-O 2.84Å; T795-I803 PolarHBondContact O-N 2.88Å; Y797-I803 HydrophobicContact CE1-CD1 3.9Å; Y797-I803 HydrophobicContact CE1-CG1 3.95Å; I803-T808 WeakPolarHBondContact CA-O 3.03Å; I803-K809 HydrophobicContact CG1-CD 4.45Å; I803-K809 HydrophobicContact CG1-CG 4.11Å; I803-E1125 HydrophobicContact CD1-CG 4.24Å; I803-F1128 HydrophobicContact CB-CE1 3.95Å; I803-F1128 HydrophobicContact CD1-CD1 3.54Å; I803-F1128 HydrophobicContact CD1-CE1 3.79Å; I803-F1128 HydrophobicContact CG1-CE1 4.47Å; I803-F1128 HydrophobicContact CG2-CE1 3.8Å
804	T	92.7	Very high	92.6	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.053	C	C	.	.			trans	-63.4	167.5	179.7	62.9	0	0	0	0	111	D806 G807 T808 Y810 L998 D1008 K1132	T804-D806 VanDerWaalsContact C-N 3.26Å; T804-D806 PolarHBondContact O-N 3.24Å; T804-G807 PolarHBondContact O-N 3.42Å; T804-G807 VanDerWaalsContact O-N 3.12Å; T804-G807 PolarHBondContact OG1-N 2.85Å; T804-T808 PolarHBondContact N-O 2.7Å; T804-T808 WeakPolarHBondContact OG1-CA 3.34Å; T804-T808 WeakPolarHBondContact OG1-CB 3.5Å; T804-T808 PolarHBondContact OG1-N 2.67Å; T804-T808 PolarHBondContact OG1-O 3.4Å; T804-Y810 HydrophobicContact CG2-CD1 4.32Å; T804-Y810 HydrophobicContact CG2-CE1 3.98Å; T804-L998 CarbonylContact C-O 3.57Å; T804-L998 VanDerWaalsContact CA-O 3.24Å; T804-L998 WeakPolarHBondContact CA-O 3.49Å; T804-L998 WeakPolarHBondContact CB-O 3.29Å; T804-D1008 WeakPolarHBondContact CB-OD2 3.47Å; T804-D1008 HydrophobicContact CG2-CB 4.17Å; T804-D1008 PolarHBondContact OG1-OD2 3.29Å; T804-K1132 PolarHBondContact O-NZ 3.03Å
805	F	88.5	Confident	92.5	Very high	1 Å²	1	9.9 Å²	9.9	0%	0.004	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-51.7	171.3	-67.5	-65.4	0	0	0	109.7	K791 N792 G794 G807 V821 V948 L950 L998 Y1001 K1132	K791-F805 VanDerWaalsContact CB-O 3.22Å; K791-F805 WeakPolarHBondContact CB-O 3.38Å; K791-F805 CarbonylContact O-C 3.45Å; K791-F805 WeakPolarHBondContact O-CB 3.36Å; N792-F805 WeakPolarHBondContact O-CD1 3.44Å; N792-F805 WeakPolarHBondContact O-CE1 2.8Å; G794-F805 VanDerWaalsContact N-CD1 3.32Å; F805-G807 PolarHBondContact O-N 2.74Å; F805-G807 VanDerWaalsContact O-N 3.1Å; F805-V821 HydrophobicContact CE2-CG1 4.43Å; F805-V821 HydrophobicContact CE2-CG2 3.9Å; F805-V821 HydrophobicContact CZ-CG2 3.85Å; F805-V948 HydrophobicContact CE1-CB 4.29Å; F805-V948 HydrophobicContact CE1-CG1 4.36Å; F805-V948 HydrophobicContact CZ-CB 4.13Å; F805-V948 HydrophobicContact CZ-CG1 4.03Å; F805-L950 HydrophobicContact CD1-CD1 4.42Å; F805-L950 HydrophobicContact CD2-CD1 4.45Å; F805-L950 HydrophobicContact CE1-CD1 3.77Å; F805-L950 HydrophobicContact CE1-CG 3.89Å; F805-L950 HydrophobicContact CE2-CD1 3.78Å; F805-L950 HydrophobicContact CZ-CD1 3.4Å; F805-L950 VanDerWaalsContact CZ-CD1 3.4Å; F805-L950 HydrophobicContact CZ-CG 3.84Å; F805-L998 HydrophobicContact CD2-CB 3.84Å; F805-L998 WeakPolarHBondContact CD2-O 3.44Å; F805-L998 HydrophobicContact CE1-CD1 4.48Å; F805-L998 HydrophobicContact CE2-CB 3.52Å; F805-L998 HydrophobicContact CE2-CD1 4.21Å; F805-L998 HydrophobicContact CZ-CB 4.07Å; F805-L998 HydrophobicContact CZ-CD1 3.89Å; F805-L998 PolarHBondContact N-O 2.81Å; F805-Y1001 HydrophobicContact CB-CD2 3.79Å; F805-Y1001 HydrophobicContact CB-CG 4.43Å; F805-Y1001 HydrophobicContact CD2-CG 4.43Å; F805-Y1001 HydrophobicContact CG-CD2 4.07Å; F805-Y1001 HydrophobicContact CG-CG 4.35Å; F805-K1132 PolarHBondContact O-NZ 2.79Å
806	D	82.9	Confident	92.3	Very high	13 Å²	13	10.3 Å²	10.3	7%	0.07	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	5.8	-176.3	-61.2	-17.6	0	0	0	114.7	T804 N1002 G1003 D1004	T804-D806 VanDerWaalsContact C-N 3.26Å; T804-D806 PolarHBondContact O-N 3.24Å; D806-N1002 PolarHBondContact OD2-OD1 2.96Å; D806-G1003 VanDerWaalsContact OD1-CA 3.29Å; D806-G1003 WeakPolarHBondContact OD1-CA 3.28Å; D806-G1003 PolarHBondContact OD1-N 3.46Å; D806-G1003 VanDerWaalsContact OD2-CA 3.27Å; D806-G1003 WeakPolarHBondContact OD2-CA 2.96Å; D806-G1003 PolarHBondContact OD2-N 2.71Å; D806-D1004 PolarHBondContact OD2-N 2.71Å
807	G	84.8	Confident	92.1	Very high	25 Å²	25	10.7 Å²	10.7	26%	0.258	6%	0.064	S	C	.	.			trans	93.9	7.2	168	0	0	0	0	0	116	T804 F805 K809	T804-G807 PolarHBondContact O-N 3.42Å; T804-G807 VanDerWaalsContact O-N 3.12Å; T804-G807 PolarHBondContact OG1-N 2.85Å; F805-G807 PolarHBondContact O-N 2.74Å; F805-G807 VanDerWaalsContact O-N 3.1Å; G807-K809 PolarHBondContact O-N 3.18Å
808	T	89.2	Confident	92	Very high	14 Å²	14	10.3 Å²	10.3	9%	0.086	6%	0.063	C	C	.	.			trans	-69.6	126.9	174.1	-57.7	0	0	0	0	110.6	I803 T804 S1005 D1008 F1009	I803-T808 WeakPolarHBondContact CA-O 3.03Å; T804-T808 PolarHBondContact N-O 2.7Å; T804-T808 WeakPolarHBondContact OG1-CA 3.34Å; T804-T808 WeakPolarHBondContact OG1-CB 3.5Å; T804-T808 PolarHBondContact OG1-N 2.67Å; T804-T808 PolarHBondContact OG1-O 3.4Å; T808-S1005 WeakPolarHBondContact OG1-CB 3.4Å; T808-D1008 WeakPolarHBondContact CB-OD2 3.19Å; T808-D1008 PolarHBondContact OG1-OD2 3.08Å; T808-F1009 HydrophobicContact CG2-CE1 4.32Å; T808-F1009 HydrophobicContact CG2-CE2 4Å; T808-F1009 HydrophobicContact CG2-CZ 3.58Å
809	K	91.4	Very high	92.1	Very high	62 Å²	62	10 Å²	10	27%	0.27	6%	0.06	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	121.4	178.7	-55.2	-164.2	176.2	-174.1	0	111.2	F802 I803 G807 R1023 E1125 E1129	F802-K809 WeakPolarHBondContact O-CA 3.41Å; I803-K809 HydrophobicContact CG1-CD 4.45Å; I803-K809 HydrophobicContact CG1-CG 4.11Å; G807-K809 PolarHBondContact O-N 3.18Å; K809-R1023 PolarHBondContact O-NH2 2.83Å; K809-E1125 IonicContact NZ-OE1 2.76Å; K809-E1125 PolarHBondContact NZ-OE1 2.86Å; K809-E1129 WeakPolarHBondContact CE-OE1 3.41Å; K809-E1129 IonicContact NZ-OE1 3.51Å; K809-E1129 PolarHBondContact NZ-OE1 3.41Å
810	Y	93.4	Very high	92.2	Very high	4 Å²	4	9.9 Å²	9.9	2%	0.016	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	170.3	176.4	77.8	-80.3	0	0	0	112.1	F802 T804 F812 L997 F1009 I1031 F1035	F802-Y810 HydrophobicContact CB-CD1 3.9Å; F802-Y810 HydrophobicContact CB-CE1 3.4Å; F802-Y810 HydrophobicContact CB-CE2 4.4Å; F802-Y810 HydrophobicContact CD2-CE1 4.4Å; F802-Y810 AromaticContact CD2-CE2 3.91Å; F802-Y810 HydrophobicContact CD2-CE2 3.91Å; F802-Y810 AromaticContact CD2-CZ 3.81Å; F802-Y810 HydrophobicContact CG-CE1 4.01Å; F802-Y810 HydrophobicContact CG-CE2 4.3Å; F802-Y810 AromaticContact CG-CZ 3.72Å; F802-Y810 PolarHBondContact N-O 3.33Å; F802-Y810 PolarHBondContact O-N 3.1Å; F802-Y810 VanDerWaalsContact O-N 3.12Å; T804-Y810 HydrophobicContact CG2-CD1 4.32Å; T804-Y810 HydrophobicContact CG2-CE1 3.98Å; Y810-F812 HydrophobicContact CD2-CB 4.21Å; Y810-F812 HydrophobicContact CE2-CB 3.67Å; Y810-L997 WeakPolarHBondContact CE1-O 3.49Å; Y810-L997 WeakPolarHBondContact OH-CA 3.03Å; Y810-L997 WeakPolarHBondContact OH-CB 3.44Å; Y810-L997 PolarHBondContact OH-O 3.05Å; Y810-F1009 AromaticContact CD1-CE1 3.7Å; Y810-F1009 HydrophobicContact CD1-CE1 3.7Å; Y810-F1009 HydrophobicContact CD1-CZ 4.24Å; Y810-F1009 HydrophobicContact CD2-CE1 4.21Å; Y810-F1009 HydrophobicContact CE1-CE1 4.17Å; Y810-F1009 AromaticContact CG-CE1 3.73Å; Y810-F1009 HydrophobicContact CG-CE1 3.73Å; Y810-F1009 HydrophobicContact CG-CZ 4.11Å; Y810-I1031 HydrophobicContact CD2-CG2 3.65Å; Y810-I1031 HydrophobicContact CE2-CG2 4.2Å; Y810-I1031 HydrophobicContact CG-CG2 4.35Å; Y810-F1035 HydrophobicContact CE1-CE1 4.35Å; Y810-F1035 HydrophobicContact CE2-CD1 4.38Å; Y810-F1035 HydrophobicContact CE2-CE1 4.08Å; Y810-F1035 AromaticContact CZ-CE1 3.77Å
811	T	92.7	Very high	92.3	Very high	22 Å²	22	9.6 Å²	9.6	14%	0.135	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	133.4	178.5	-56	0	0	0	0	109	G800 H801 F1107	G800-T811 CarbonylContact O-C 3.59Å; G800-T811 VanDerWaalsContact O-CA 3.27Å; G800-T811 WeakPolarHBondContact O-CA 3.45Å; H801-T811 PolarHBondContact CE1-OG1 2.62Å; H801-T811 WeakPolarHBondContact ND1-CG2 3.47Å; H801-T811 PolarHBondContact ND1-OG1 3.2Å; T811-F1107 HydrophobicContact CG2-CE1 4.32Å; T811-F1107 HydrophobicContact CG2-CE2 4.36Å; T811-F1107 HydrophobicContact CG2-CZ 4.21Å
812	F	93.7	Very high	92.1	Very high	4 Å²	4	10.9 Å²	10.9	2%	0.018	6%	0.063	C	C	.	.			trans	-142	120.8	176.8	166.4	-108.3	0	0	0	109.7	G800 F802 Y810 F818 L997 H1032 G1036 S1037	G800-F812 VanDerWaalsContact CA-O 3.25Å; G800-F812 WeakPolarHBondContact CA-O 3.36Å; G800-F812 PolarHBondContact O-N 2.82Å; F802-F812 HydrophobicContact CD2-CB 4.28Å; F802-F812 HydrophobicContact CE2-CB 3.86Å; F802-F812 HydrophobicContact CE2-CD1 4.17Å; F802-F812 HydrophobicContact CZ-CD1 4.34Å; Y810-F812 HydrophobicContact CD2-CB 4.21Å; Y810-F812 HydrophobicContact CE2-CB 3.67Å; F812-F818 AromaticContact CE1-CD1 3.86Å; F812-F818 HydrophobicContact CE1-CD1 3.86Å; F812-F818 HydrophobicContact CE1-CD2 4.42Å; F812-F818 AromaticContact CE1-CE1 3.77Å; F812-F818 HydrophobicContact CE1-CE1 3.77Å; F812-F818 HydrophobicContact CE1-CE2 4.32Å; F812-F818 HydrophobicContact CE1-CG 4.2Å; F812-F818 HydrophobicContact CE1-CZ 4.01Å; F812-F818 HydrophobicContact CZ-CD1 4.05Å; F812-F818 AromaticContact CZ-CE1 3.52Å; F812-F818 HydrophobicContact CZ-CE1 3.52Å; F812-F818 HydrophobicContact CZ-CE2 4.5Å; F812-F818 AromaticContact CZ-CZ 3.78Å; F812-F818 HydrophobicContact CZ-CZ 3.78Å; F812-L997 HydrophobicContact CD1-CD1 4.33Å; F812-L997 HydrophobicContact CD1-CD2 4.13Å; F812-L997 HydrophobicContact CE1-CD1 4.38Å; F812-L997 HydrophobicContact CE1-CD2 4.38Å; F812-H1032 HydrophobicContact CD2-CB 4.44Å; F812-H1032 AromaticContact CD2-CD2 3.45Å; F812-H1032 VanDerWaalsContact CD2-CD2 3.45Å; F812-H1032 WeakPolarHBondContact CD2-CD2 3.39Å; F812-H1032 AromaticContact CE2-CD2 3.5Å; F812-H1032 AromaticContact CE2-NE2 3.61Å; F812-G1036 WeakPolarHBondContact CZ-O 3.49Å; F812-S1037 VanDerWaalsContact CE2-N 3.32Å
813	N	91.3	Very high	91.7	Very high	3 Å²	3	10.8 Å²	10.8	2%	0.016	6%	0.062	C	C	.	.			trans	-114.1	96.1	178.9	-78.9	-66.9	0	0	0	109.7	H799 T859 H1032 F1069 P1071 F1107	H799-N813 PolarHBondContact O-ND2 2.83Å; H799-N813 PolarHBondContact O-OD1 2.81Å; N813-T859 WeakPolarHBondContact CA-OG1 3.46Å; N813-T859 PolarHBondContact OD1-N 3.17Å; N813-T859 PolarHBondContact OD1-O 3.37Å; N813-T859 PolarHBondContact OD1-OG1 3.01Å; N813-H1032 PolarHBondContact O-CD2 3.08Å; N813-H1032 PolarHBondContact O-NE2 2.8Å; N813-F1069 WeakPolarHBondContact O-CE1 3.26Å; N813-P1071 HydrophobicContact CB-CB 3.73Å; N813-F1107 VanDerWaalsContact ND2-CZ 3.34Å; N813-F1107 WeakPolarHBondContact ND2-CZ 3.33Å
814	G	90.3	Very high	91.2	Very high	5 Å²	5	15.1 Å²	15.1	5%	0.052	9%	0.085	C	C	.	.			trans	-123.9	137.1	178	0	0	0	0	0	110.8	F818 T836 T859	G814-F818 WeakPolarHBondContact O-CE2 3.42Å; G814-T836 WeakPolarHBondContact O-CB 3.3Å; G814-T836 PolarHBondContact O-OG1 2.98Å; G814-T859 PolarHBondContact N-OG1 3.08Å; G814-T859 PolarHBondContact O-OG1 3.31Å
815	R	90.2	Very high	90.4	Very high	27 Å²	27	15.3 Å²	15.3	10%	0.102	9%	0.086	C	C	.	.			trans	-89.8	129.9	172.3	-170.2	172.5	70.8	-150.9	-2.3	109.6	T859 R1040 L1062 F1063 A1067 F1069	R815-T859 HydrophobicContact CB-CG2 4.42Å; R815-R1040 PolarHBondContact O-NH2 3.07Å; R815-L1062 VanDerWaalsContact CZ-O 3.26Å; R815-L1062 PolarHBondContact NE-O 2.8Å; R815-L1062 PolarHBondContact NH2-O 3.23Å; R815-L1062 VanDerWaalsContact NH2-O 3.15Å; R815-F1063 HydrophobicContact CG-CD2 4.07Å; R815-F1063 HydrophobicContact CG-CE2 4.44Å; R815-A1067 PolarHBondContact NH2-O 2.62Å; R815-F1069 HydrophobicContact CB-CD1 4.25Å; R815-F1069 HydrophobicContact CB-CG 4.48Å
816	G	92	Very high	89.7	Confident	8 Å²	8	20 Å²	20	8%	0.082	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	136.6	-161.4	180	0	0	0	0	0	114.7	T836 F1063	G816-T836 PolarHBondContact N-O 2.84Å; G816-T836 VanDerWaalsContact N-O 3.11Å; G816-T836 PolarHBondContact O-N 3.32Å; G816-T836 PolarHBondContact O-OG1 2.9Å; G816-F1063 VanDerWaalsContact CA-CZ 3.44Å
817	H	93.8	Very high	89.2	Confident	8 Å²	8	23.5 Å²	23.5	4%	0.037	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	129.9	170.9	-56.2	109.3	0	0	0	109.9	V834 R835 R1040 T1041 N1048 F1050 F1063	H817-V834 WeakPolarHBondContact CA-O 3.38Å; H817-R835 PolarHBondContact NE2-NE 2.99Å; H817-R1040 WeakPolarHBondContact O-CA 3.31Å; H817-T1041 HydrophobicContact CB-CG2 3.94Å; H817-T1041 WeakPolarHBondContact CB-OG1 3.12Å; H817-T1041 PolarHBondContact O-N 3.02Å; H817-T1041 PolarHBondContact O-OG1 2.79Å; H817-N1048 PolarHBondContact ND1-ND2 3.46Å; H817-F1050 HydrophobicContact CB-CD2 4.27Å; H817-F1050 AromaticContact CD2-CD2 3.2Å; H817-F1050 WeakPolarHBondContact CD2-CD2 3.46Å; H817-F1050 AromaticContact CD2-CE2 3.64Å; H817-F1050 AromaticContact CD2-CG 3.72Å; H817-F1050 AromaticContact CG-CD2 3.87Å; H817-F1050 AromaticContact NE2-CD2 3.9Å; H817-F1050 AromaticContact NE2-CG 3.94Å; H817-F1063 AromaticContact CE1-CE1 3.63Å; H817-F1063 AromaticContact NE2-CE1 4Å; H817-F1063 AromaticContact NE2-CZ 3.99Å
818	F	95.6	Very high	89	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	148	-177.6	-64.3	-88.6	0	0	0	111.8	F812 G814 L820 Q833 V834 T836 L997 W1039 R1040	F812-F818 AromaticContact CE1-CD1 3.86Å; F812-F818 HydrophobicContact CE1-CD1 3.86Å; F812-F818 HydrophobicContact CE1-CD2 4.42Å; F812-F818 AromaticContact CE1-CE1 3.77Å; F812-F818 HydrophobicContact CE1-CE1 3.77Å; F812-F818 HydrophobicContact CE1-CE2 4.32Å; F812-F818 HydrophobicContact CE1-CG 4.2Å; F812-F818 HydrophobicContact CE1-CZ 4.01Å; F812-F818 HydrophobicContact CZ-CD1 4.05Å; F812-F818 AromaticContact CZ-CE1 3.52Å; F812-F818 HydrophobicContact CZ-CE1 3.52Å; F812-F818 HydrophobicContact CZ-CE2 4.5Å; F812-F818 AromaticContact CZ-CZ 3.78Å; F812-F818 HydrophobicContact CZ-CZ 3.78Å; G814-F818 WeakPolarHBondContact O-CE2 3.42Å; F818-L820 PolarHBondContact O-N 2.66Å; F818-Q833 CarbonylContact O-C 3.55Å; F818-Q833 WeakPolarHBondContact O-CA 3.22Å; F818-Q833 WeakPolarHBondContact O-CB 3.28Å; F818-V834 HydrophobicContact CB-CG2 4.15Å; F818-V834 PolarHBondContact N-O 3.13Å; F818-V834 PolarHBondContact O-N 2.84Å; F818-T836 VanDerWaalsContact CD2-OG1 3.25Å; F818-T836 WeakPolarHBondContact CD2-OG1 3.17Å; F818-T836 VanDerWaalsContact CE2-OG1 3.25Å; F818-T836 WeakPolarHBondContact CE2-OG1 3.35Å; F818-L997 HydrophobicContact CB-CD1 3.66Å; F818-L997 HydrophobicContact CG-CD1 4.32Å; F818-W1039 WeakPolarHBondContact CA-O 3.41Å; F818-R1040 HydrophobicContact CD1-CB 4.13Å; F818-R1040 HydrophobicContact CE1-CB 3.86Å; F818-R1040 HydrophobicContact CE1-CG 4.47Å
819	V	96.1	Very high	89	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	110	174.9	176.7	0	0	0	0	109	L822 Q833 L997 W1039 T1041 V1044 T1046	V819-L822 HydrophobicContact CG1-CB 3.6Å; V819-Q833 HydrophobicContact CG2-CG 4.4Å; V819-L997 WeakPolarHBondContact O-CG 3.35Å; V819-L997 PolarHBondContact O-N 3.31Å; V819-W1039 HydrophobicContact CB-CE3 3.94Å; V819-W1039 HydrophobicContact CG1-CE3 4Å; V819-W1039 HydrophobicContact CG1-CZ3 4.19Å; V819-W1039 PolarHBondContact N-O 3.36Å; V819-T1041 HydrophobicContact CG2-CG2 3.93Å; V819-V1044 HydrophobicContact CG2-CB 4.39Å; V819-V1044 HydrophobicContact CG2-CG1 4.4Å; V819-V1044 HydrophobicContact CG2-CG2 4.19Å; V819-T1046 HydrophobicContact CG2-CG2 3.83Å
820	L	96.7	Very high	89.1	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	-44.6	175.4	-170.1	67.8	0	0	0	110.7	A796 F802 F818 V832 V834 V946 V948 L997 L998	A796-L820 HydrophobicContact CB-CD1 4.04Å; F802-L820 HydrophobicContact CD1-CD1 4.14Å; F802-L820 HydrophobicContact CE1-CD1 3.83Å; F818-L820 PolarHBondContact O-N 2.66Å; L820-V832 HydrophobicContact CB-CB 4.18Å; L820-V832 HydrophobicContact CB-CG1 3.96Å; L820-V832 HydrophobicContact CD2-CG1 3.78Å; L820-V832 HydrophobicContact CG-CG1 4.4Å; L820-V832 PolarHBondContact N-O 3.24Å; L820-V834 HydrophobicContact CB-CG1 4.17Å; L820-V834 HydrophobicContact CD2-CG1 3.95Å; L820-V834 HydrophobicContact CG-CG1 4.45Å; L820-V946 HydrophobicContact CD2-CB 4.25Å; L820-V946 HydrophobicContact CD2-CG1 3.81Å; L820-V948 HydrophobicContact CD2-CG2 3.93Å; L820-L997 HydrophobicContact CD1-CB 4.17Å; L820-L997 PolarHBondContact O-N 2.61Å; L820-L998 HydrophobicContact CD1-CD1 4.09Å; L820-L998 HydrophobicContact CD1-CD2 4.01Å; L820-L998 HydrophobicContact CD1-CG 3.65Å; L820-L998 HydrophobicContact CD2-CD1 3.97Å; L820-L998 HydrophobicContact CD2-CG 4.45Å; L820-L998 HydrophobicContact CG-CD1 3.72Å; L820-L998 HydrophobicContact CG-CG 3.75Å; L820-L998 PolarHBondContact O-N 3.16Å; L820-L998 VanDerWaalsContact O-N 3.11Å
821	V	94.8	Very high	89.2	Confident	1 Å²	1	26.4 Å²	26.4	1%	0.006	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	136.8	177	-173.7	0	0	0	0	109.4	F805 F830 T831 V832 V948 L950 T994 M995 L998	F805-V821 HydrophobicContact CE2-CG1 4.43Å; F805-V821 HydrophobicContact CE2-CG2 3.9Å; F805-V821 HydrophobicContact CZ-CG2 3.85Å; V821-F830 HydrophobicContact CB-CE1 4.31Å; V821-F830 HydrophobicContact CG1-CD1 3.98Å; V821-F830 HydrophobicContact CG1-CE1 4.02Å; V821-T831 CarbonylContact O-C 3.56Å; V821-T831 WeakPolarHBondContact O-CA 3.46Å; V821-V832 HydrophobicContact CB-CB 4.08Å; V821-V832 HydrophobicContact CB-CG2 4.11Å; V821-V832 HydrophobicContact CG2-CB 4.35Å; V821-V832 HydrophobicContact CG2-CG2 4.37Å; V821-V832 PolarHBondContact N-O 3.08Å; V821-V832 VanDerWaalsContact N-O 3.12Å; V821-V832 PolarHBondContact O-N 2.92Å; V821-V948 HydrophobicContact CG2-CG1 4.27Å; V821-V948 HydrophobicContact CG2-CG2 4.31Å; V821-L950 HydrophobicContact CG1-CD1 4.48Å; V821-T994 HydrophobicContact CG1-CG2 3.77Å; V821-M995 CarbonylContact C-O 3.49Å; V821-L998 HydrophobicContact CG2-CB 4.28Å; V821-L998 HydrophobicContact CG2-CD1 3.8Å; V821-L998 HydrophobicContact CG2-CG 4.38Å
822	L	92.1	Very high	89.4	Confident	29 Å²	29	25.4 Å²	25.4	15%	0.152	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	123.3	173.9	178.7	67.4	0	0	0	109.6	V819 N824 F830 T831 M995 V1044	V819-L822 HydrophobicContact CG1-CB 3.6Å; L822-N824 HydrophobicContact CD1-CB 4.35Å; L822-F830 CarbonylContact C-O 3.53Å; L822-F830 WeakPolarHBondContact CA-O 3.42Å; L822-T831 HydrophobicContact CD1-CG2 4.4Å; L822-M995 PolarHBondContact N-O 3.31Å; L822-M995 PolarHBondContact O-N 3.04Å; L822-V1044 HydrophobicContact CD2-CG1 3.86Å
823	L	88.5	Confident	89.6	Confident	1 Å²	1	25.2 Å²	25.2	1%	0.005	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	121.4	164.2	177.1	60.9	0	0	0	106.9	T825 K829 F830 Y954 T994	L823-T825 HydrophobicContact CD1-CG2 3.42Å; L823-T825 VanDerWaalsContact CD1-CG2 3.42Å; L823-T825 HydrophobicContact CG-CG2 4.06Å; L823-K829 CarbonylContact O-C 3.41Å; L823-K829 VanDerWaalsContact O-CA 3.24Å; L823-K829 WeakPolarHBondContact O-CA 3.32Å; L823-F830 HydrophobicContact CB-CB 4.29Å; L823-F830 PolarHBondContact N-O 3.16Å; L823-F830 PolarHBondContact O-N 2.89Å; L823-Y954 HydrophobicContact CD2-CD1 3.3Å; L823-Y954 HydrophobicContact CD2-CE1 3.7Å; L823-Y954 HydrophobicContact CD2-CG 3.83Å; L823-T994 WeakPolarHBondContact CD1-OG1 3.32Å
824	N	83.6	Confident	89.9	Confident	90 Å²	90	25 Å²	25	48%	0.481	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	73.2	-179.2	-173.7	18.5	0	0	0	110.9	L822 Y992	L822-N824 HydrophobicContact CD1-CB 4.35Å; N824-Y992 WeakPolarHBondContact O-CD1 3.44Å; N824-Y992 VanDerWaalsContact O-CE1 3.26Å; N824-Y992 WeakPolarHBondContact O-CE1 3.05Å
825	T	76.9	Confident	90.2	Very high	4 Å²	4	24.9 Å²	24.9	3%	0.025	13%	0.128	C	C	.	.			trans	-101	165.5	175.5	81.3	0	0	0	0	110	L823 Q827 Y828 K829 V959 Y992	L823-T825 HydrophobicContact CD1-CG2 3.42Å; L823-T825 VanDerWaalsContact CD1-CG2 3.42Å; L823-T825 HydrophobicContact CG-CG2 4.06Å; T825-Q827 PolarHBondContact O-N 2.73Å; T825-Q827 PolarHBondContact OG1-N 2.95Å; T825-Q827 VanDerWaalsContact OG1-N 3.14Å; T825-Y828 WeakPolarHBondContact CA-O 3.44Å; T825-Y828 WeakPolarHBondContact CB-O 3.31Å; T825-Y828 PolarHBondContact N-O 2.82Å; T825-Y828 VanDerWaalsContact O-O 3.12Å; T825-Y828 WeakPolarHBondContact OG1-CA 3.27Å; T825-Y828 PolarHBondContact OG1-N 2.8Å; T825-Y828 PolarHBondContact OG1-O 2.9Å; T825-K829 WeakPolarHBondContact O-CG 3.26Å; T825-V959 HydrophobicContact CG2-CG1 3.9Å; T825-Y992 HydrophobicContact CG2-CD1 4.45Å; T825-Y992 HydrophobicContact CG2-CD2 4.34Å; T825-Y992 HydrophobicContact CG2-CG 3.81Å
826	P	73.5	Confident	90.4	Very high	100 Å²	100	24 Å²	24	65%	0.649	13%	0.125	S	C	*	.	S	Bend	trans	-60.8	-26.4	170.8	-25.3	35.3	0	0	0	114	Y992	P826-Y992 VanDerWaalsContact CD-CZ 3.45Å; P826-Y992 HydrophobicContact CG-CE2 4.03Å
827	Q	72.9	Confident	90.4	Very high	86 Å²	86	23.8 Å²	23.8	40%	0.402	12%	0.123	S	C	.	.	S	Bend	trans	-98.9	-33.4	-174.8	-66.1	177.3	0.6	0	0	113.3	T825	T825-Q827 PolarHBondContact O-N 2.73Å; T825-Q827 PolarHBondContact OG1-N 2.95Å; T825-Q827 VanDerWaalsContact OG1-N 3.14Å
828	Y	80.9	Confident	90.1	Very high	40 Å²	40	24.6 Å²	24.6	16%	0.157	13%	0.126	C	C	.	.			trans	-134.6	127	-174.3	-57.6	-73.4	0	0	0	109.5	T825 Y954 R962	T825-Y828 WeakPolarHBondContact CA-O 3.44Å; T825-Y828 WeakPolarHBondContact CB-O 3.31Å; T825-Y828 PolarHBondContact N-O 2.82Å; T825-Y828 VanDerWaalsContact O-O 3.12Å; T825-Y828 WeakPolarHBondContact OG1-CA 3.27Å; T825-Y828 PolarHBondContact OG1-N 2.8Å; T825-Y828 PolarHBondContact OG1-O 2.9Å; Y828-Y954 HydrophobicContact CD1-CD2 4.44Å; Y828-Y954 AromaticContact CD1-CE2 3.69Å; Y828-Y954 HydrophobicContact CD1-CE2 3.69Å; Y828-Y954 HydrophobicContact CE1-CE2 4.17Å; Y828-Y954 HydrophobicContact CG-CE2 4.34Å; Y828-R962 PolarHBondContact OH-NH1 2.91Å
829	K	89.2	Confident	89.5	Confident	108 Å²	108	25.2 Å²	25.2	47%	0.47	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	126	174.3	-65.4	-178.4	176.7	179.3	0	108	L823 T825 Q869	L823-K829 CarbonylContact O-C 3.41Å; L823-K829 VanDerWaalsContact O-CA 3.24Å; L823-K829 WeakPolarHBondContact O-CA 3.32Å; T825-K829 WeakPolarHBondContact O-CG 3.26Å; K829-Q869 PolarHBondContact O-N 2.82Å
830	F	93.3	Very high	88.5	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	132.1	178.4	176.2	-108.9	0	0	0	109.8	V821 L822 L823 V832 V866 R867 D868 F929 T933 V935 V948 L950 Y954	V821-F830 HydrophobicContact CB-CE1 4.31Å; V821-F830 HydrophobicContact CG1-CD1 3.98Å; V821-F830 HydrophobicContact CG1-CE1 4.02Å; L822-F830 CarbonylContact C-O 3.53Å; L822-F830 WeakPolarHBondContact CA-O 3.42Å; L823-F830 HydrophobicContact CB-CB 4.29Å; L823-F830 PolarHBondContact N-O 3.16Å; L823-F830 PolarHBondContact O-N 2.89Å; F830-V832 HydrophobicContact CD1-CG2 4.4Å; F830-V832 HydrophobicContact CE1-CG2 3.45Å; F830-V832 VanDerWaalsContact CE1-CG2 3.45Å; F830-V832 HydrophobicContact CE2-CG2 4.19Å; F830-V832 HydrophobicContact CZ-CG2 3.33Å; F830-V866 HydrophobicContact CE2-CG1 3.74Å; F830-V866 HydrophobicContact CZ-CG1 4.12Å; F830-R867 WeakPolarHBondContact CA-O 3.49Å; F830-D868 HydrophobicContact CD2-CB 3.73Å; F830-D868 HydrophobicContact CE2-CB 4.31Å; F830-F929 HydrophobicContact CE2-CD2 4.33Å; F830-F929 HydrophobicContact CE2-CE2 4.23Å; F830-T933 HydrophobicContact CD2-CG2 4.29Å; F830-T933 HydrophobicContact CE2-CG2 4.26Å; F830-T933 HydrophobicContact CG-CG2 4.42Å; F830-T933 HydrophobicContact CZ-CG2 4.37Å; F830-V935 HydrophobicContact CZ-CG2 4.29Å; F830-V948 HydrophobicContact CE1-CG1 4.23Å; F830-V948 HydrophobicContact CZ-CG1 4.39Å; F830-L950 HydrophobicContact CD1-CD2 4.01Å; F830-L950 HydrophobicContact CE1-CD2 3.6Å; F830-L950 HydrophobicContact CZ-CD2 4.31Å; F830-Y954 HydrophobicContact CB-CD1 4.32Å; F830-Y954 HydrophobicContact CB-CE1 3.65Å; F830-Y954 HydrophobicContact CG-CE1 4.12Å
831	T	95	Very high	86.8	Confident	19 Å²	19	30.4 Å²	30.4	12%	0.117	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	125.4	-175.2	-57.3	0	0	0	0	109.2	V821 L822 Q833 V866 R867 L1049	V821-T831 CarbonylContact O-C 3.56Å; V821-T831 WeakPolarHBondContact O-CA 3.46Å; L822-T831 HydrophobicContact CD1-CG2 4.4Å; T831-Q833 HydrophobicContact CG2-CG 3.92Å; T831-V866 WeakPolarHBondContact O-CA 3.41Å; T831-R867 PolarHBondContact N-O 2.79Å; T831-R867 PolarHBondContact O-N 3.48Å; T831-L1049 HydrophobicContact CG2-CD1 3.88Å; T831-L1049 HydrophobicContact CG2-CG 4.48Å
832	V	97.8	Very high	85	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	126.2	169.2	-174.5	0	0	0	0	107.4	L820 V821 F830 V864 S865 V866 V935 V948	L820-V832 HydrophobicContact CB-CB 4.18Å; L820-V832 HydrophobicContact CB-CG1 3.96Å; L820-V832 HydrophobicContact CD2-CG1 3.78Å; L820-V832 HydrophobicContact CG-CG1 4.4Å; L820-V832 PolarHBondContact N-O 3.24Å; V821-V832 HydrophobicContact CB-CB 4.08Å; V821-V832 HydrophobicContact CB-CG2 4.11Å; V821-V832 HydrophobicContact CG2-CB 4.35Å; V821-V832 HydrophobicContact CG2-CG2 4.37Å; V821-V832 PolarHBondContact N-O 3.08Å; V821-V832 VanDerWaalsContact N-O 3.12Å; V821-V832 PolarHBondContact O-N 2.92Å; F830-V832 HydrophobicContact CD1-CG2 4.4Å; F830-V832 HydrophobicContact CE1-CG2 3.45Å; F830-V832 VanDerWaalsContact CE1-CG2 3.45Å; F830-V832 HydrophobicContact CE2-CG2 4.19Å; F830-V832 HydrophobicContact CZ-CG2 3.33Å; V832-V864 HydrophobicContact CG1-CG1 4.25Å; V832-S865 WeakPolarHBondContact CA-O 3.38Å; V832-V866 HydrophobicContact CG1-CG2 4.25Å; V832-V866 HydrophobicContact CG2-CG1 3.98Å; V832-V935 HydrophobicContact CG2-CG2 4.07Å; V832-V948 HydrophobicContact CG1-CG2 4.42Å; V832-V948 HydrophobicContact CG2-CG2 4.41Å
833	Q	97.8	Very high	82.9	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	149.9	175.6	-63.3	164.8	-2.7	0	0	109.7	F818 V819 T831 V864 S865 T1041 T1047 N1048 F1050	F818-Q833 CarbonylContact O-C 3.55Å; F818-Q833 WeakPolarHBondContact O-CA 3.22Å; F818-Q833 WeakPolarHBondContact O-CB 3.28Å; V819-Q833 HydrophobicContact CG2-CG 4.4Å; T831-Q833 HydrophobicContact CG2-CG 3.92Å; Q833-V864 CarbonylContact O-C 3.59Å; Q833-V864 WeakPolarHBondContact O-CA 3.46Å; Q833-S865 WeakPolarHBondContact CB-OG 3.37Å; Q833-S865 PolarHBondContact N-O 3.38Å; Q833-S865 PolarHBondContact O-N 3.22Å; Q833-T1041 HydrophobicContact CG-CG2 4.01Å; Q833-T1047 PolarHBondContact NE2-O 2.64Å; Q833-N1048 PolarHBondContact OE1-OD1 3.13Å; Q833-F1050 HydrophobicContact CB-CD2 4.38Å; Q833-F1050 HydrophobicContact CB-CE2 3.76Å
834	V	97.8	Very high	80.7	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	144.8	177.2	-67.9	0	0	0	0	110	H817 F818 L820 T836 I861 G863 V946	H817-V834 WeakPolarHBondContact CA-O 3.38Å; F818-V834 HydrophobicContact CB-CG2 4.15Å; F818-V834 PolarHBondContact N-O 3.13Å; F818-V834 PolarHBondContact O-N 2.84Å; L820-V834 HydrophobicContact CB-CG1 4.17Å; L820-V834 HydrophobicContact CD2-CG1 3.95Å; L820-V834 HydrophobicContact CG-CG1 4.45Å; V834-T836 HydrophobicContact CG2-CG2 4.31Å; V834-I861 HydrophobicContact CB-CG2 4.14Å; V834-I861 HydrophobicContact CG1-CD1 4.3Å; V834-I861 HydrophobicContact CG1-CG2 4.21Å; V834-G863 CarbonylContact C-O 3.31Å; V834-G863 WeakPolarHBondContact CA-O 3.47Å; V834-V946 HydrophobicContact CG1-CG2 4.34Å
835	R	95.7	Very high	78.4	Confident	2 Å²	2	38.8 Å²	38.8	1%	0.008	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	119.6	169.1	-178.3	-172.6	-63.5	-171.5	-5.7	107.6	H817 E837 I861 T862 G863 F877 F1050 P1054 Q1055 F1063	H817-R835 PolarHBondContact NE2-NE 2.99Å; R835-E837 WeakPolarHBondContact CD-OE1 3.32Å; R835-E837 HydrophobicContact CG-CG 4.3Å; R835-I861 WeakPolarHBondContact O-CA 3.21Å; R835-T862 PolarHBondContact O-N 2.88Å; R835-T862 PolarHBondContact O-OG1 3.4Å; R835-G863 PolarHBondContact N-O 2.87Å; R835-G863 PolarHBondContact O-N 2.88Å; R835-F877 VanDerWaalsContact CZ-CE1 3.49Å; R835-F1050 HydrophobicContact CB-CE1 4.17Å; R835-F1050 HydrophobicContact CB-CE2 4.26Å; R835-F1050 HydrophobicContact CB-CZ 3.88Å; R835-P1054 VanDerWaalsContact CZ-O 3.32Å; R835-P1054 PolarHBondContact NH1-O 3.1Å; R835-P1054 PolarHBondContact NH2-O 3.13Å; R835-Q1055 VanDerWaalsContact NH1-C 3.32Å; R835-Q1055 PolarHBondContact NH1-O 3.25Å; R835-Q1055 VanDerWaalsContact NH1-O 3.16Å; R835-F1063 HydrophobicContact CG-CE2 4.02Å; R835-F1063 HydrophobicContact CG-CZ 3.83Å
836	T	94.6	Very high	76.7	Confident	7 Å²	7	42.3 Å²	42.3	4%	0.043	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	123.9	-179.6	48.8	0	0	0	0	110.1	G814 G816 F818 V834 V860 I861 F1063	G814-T836 WeakPolarHBondContact O-CB 3.3Å; G814-T836 PolarHBondContact O-OG1 2.98Å; G816-T836 PolarHBondContact N-O 2.84Å; G816-T836 VanDerWaalsContact N-O 3.11Å; G816-T836 PolarHBondContact O-N 3.32Å; G816-T836 PolarHBondContact O-OG1 2.9Å; F818-T836 VanDerWaalsContact CD2-OG1 3.25Å; F818-T836 WeakPolarHBondContact CD2-OG1 3.17Å; F818-T836 VanDerWaalsContact CE2-OG1 3.25Å; F818-T836 WeakPolarHBondContact CE2-OG1 3.35Å; V834-T836 HydrophobicContact CG2-CG2 4.31Å; T836-V860 CarbonylContact C-O 3.6Å; T836-V860 VanDerWaalsContact CA-O 3.31Å; T836-V860 WeakPolarHBondContact CA-O 3.43Å; T836-I861 HydrophobicContact CG2-CG1 3.97Å; T836-F1063 WeakPolarHBondContact O-CE2 3.47Å
837	E	91.8	Very high	75.1	Confident	5 Å²	5	44.4 Å²	44.4	2%	0.023	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	151.8	-176.1	-65.6	-176.5	-131.5	0	0	111.1	R835 P839 T859 V860 T862 P1056 L1057 Y1058 F1063	R835-E837 WeakPolarHBondContact CD-OE1 3.32Å; R835-E837 HydrophobicContact CG-CG 4.3Å; E837-P839 WeakPolarHBondContact O-CD 3.28Å; E837-T859 CarbonylContact O-C 3.52Å; E837-T859 VanDerWaalsContact O-CA 3.31Å; E837-T859 WeakPolarHBondContact O-CA 3.33Å; E837-V860 PolarHBondContact N-O 3.01Å; E837-V860 PolarHBondContact O-N 2.94Å; E837-T862 HydrophobicContact CB-CG2 3.9Å; E837-T862 VanDerWaalsContact CD-OG1 3.3Å; E837-T862 HydrophobicContact CG-CG2 4.13Å; E837-T862 WeakPolarHBondContact CG-OG1 3.27Å; E837-T862 WeakPolarHBondContact OE1-CB 3.35Å; E837-T862 PolarHBondContact OE1-OG1 3.38Å; E837-P1056 HydrophobicContact CG-CB 4.42Å; E837-P1056 WeakPolarHBondContact OE1-CA 3.48Å; E837-P1056 WeakPolarHBondContact OE2-CB 3.48Å; E837-L1057 PolarHBondContact OE1-N 3.48Å; E837-L1057 PolarHBondContact OE2-N 2.82Å; E837-Y1058 HydrophobicContact CB-CD2 4.04Å; E837-Y1058 PolarHBondContact OE2-N 2.71Å; E837-Y1058 VanDerWaalsContact OE2-N 3.08Å; E837-F1063 HydrophobicContact CG-CD2 3.79Å; E837-F1063 HydrophobicContact CG-CE2 3.66Å
838	Q	87.4	Confident	73.4	Confident	25 Å²	25	47.7 Å²	47.7	12%	0.117	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-79.3	116.3	172.1	-165.8	177.3	4.8	0	0	108.5	D855 V856 Y1058 F1069	Q838-D855 VanDerWaalsContact CD-CB 3.48Å; Q838-D855 HydrophobicContact CG-CB 3.87Å; Q838-D855 VanDerWaalsContact NE2-CB 3.26Å; Q838-V856 WeakPolarHBondContact CG-O 3.42Å; Q838-V856 PolarHBondContact NE2-O 3.19Å; Q838-Y1058 WeakPolarHBondContact O-CD2 3.3Å; Q838-F1069 VanDerWaalsContact CD-CE2 3.5Å; Q838-F1069 HydrophobicContact CG-CD2 4.49Å; Q838-F1069 HydrophobicContact CG-CE2 3.97Å
839	P	83.8	Confident	71.2	Confident	12 Å²	12	50.9 Å²	50.9	8%	0.078	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-75	147.7	178.4	29.6	-28.3	0	0	0	110.6	E837 V856 A858 V860 Y1058	E837-P839 WeakPolarHBondContact O-CD 3.28Å; P839-V856 HydrophobicContact CG-CB 3.94Å; P839-V856 HydrophobicContact CG-CG1 4.28Å; P839-V856 HydrophobicContact CG-CG2 4.21Å; P839-V856 PolarHBondContact O-N 2.85Å; P839-A858 VanDerWaalsContact CD-O 3.28Å; P839-A858 WeakPolarHBondContact CD-O 3.42Å; P839-V860 HydrophobicContact CB-CG2 4.11Å; P839-V860 HydrophobicContact CG-CG1 4.06Å; P839-V860 HydrophobicContact CG-CG2 4.06Å; P839-Y1058 HydrophobicContact CB-CD2 4.48Å; P839-Y1058 HydrophobicContact CB-CE2 3.97Å
840	P	73.3	Confident	68.7	Low	52 Å²	52	53 Å²	53	34%	0.338	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-64.2	152.4	174.4	28.6	-35.3	0	0	0	110.3	Y1058 Y1059	P840-Y1058 HydrophobicContact CG-CD1 3.89Å; P840-Y1058 HydrophobicContact CG-CE1 4.13Å; P840-Y1058 HydrophobicContact CG-CG 4.49Å; P840-Y1059 HydrophobicContact CB-CE2 4.4Å
841	R	62.4	Low	66.1	Low	58 Å²	58	58.5 Å²	58.5	22%	0.219	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-59.4	149.6	174.5	-103	-169.5	-159.6	-157.7	8.5	111.6	T854 V856 E1085	R841-T854 WeakPolarHBondContact CD-O 3.38Å; R841-T854 WeakPolarHBondContact CG-O 3.11Å; R841-T854 PolarHBondContact NE-O 3.37Å; R841-T854 PolarHBondContact NE-OG1 2.87Å; R841-T854 PolarHBondContact NH2-OG1 2.8Å; R841-V856 HydrophobicContact CG-CG2 4.28Å; R841-E1085 IonicContact CZ-OE1 2.78Å; R841-E1085 IonicContact CZ-OE2 3.48Å; R841-E1085 IonicContact NH1-OE1 3.14Å; R841-E1085 PolarHBondContact NH1-OE1 2.91Å; R841-E1085 IonicContact NH1-OE2 3.97Å; R841-E1085 PolarHBondContact NH1-OE2 2.77Å; R841-E1085 IonicContact NH2-OE2 3.83Å
842	T	56.8	Low	63.7	Low	24 Å²	24	64.3 Å²	64.3	15%	0.147	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-73.2	145.3	177.1	62.7	0	0	0	0	109.6	C844 S1112 R1114 F1117	T842-C844 PolarHBondContact O-N 3.17Å; T842-S1112 PolarHBondContact OG1-O 3.41Å; T842-R1114 HydrophobicContact CG2-CG 3.87Å; T842-F1117 HydrophobicContact CG2-CE2 4.32Å
843	L	47.9	Very low	61.1	Low	133 Å²	133	71.4 Å²	71.4	70%	0.696	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-48.6	-1.8	-172.4	-89.8	151.2	0	0	0	118.2	N845 A846	L843-N845 PolarHBondContact O-N 2.97Å; L843-A846 HydrophobicContact CD2-CB 3.8Å; L843-A846 PolarHBondContact O-N 3.15Å; L843-A846 VanDerWaalsContact O-N 3.14Å
844	C	41.9	Very low	59.1	Low	80 Å²	80	74.2 Å²	74.2	54%	0.541	42%	0.418	S	S	.	.	G	3₁₀ helix	trans	-58.8	-8.4	177.1	-72.8	0	0	0	0	114.8	T842	T842-C844 PolarHBondContact O-N 3.17Å
845	N	36.4	Very low	57.7	Low	60 Å²	60	75.3 Å²	75.3	32%	0.321	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-113.7	3.8	174.6	-80.2	-3.8	0	0	0	116	L843 I847	L843-N845 PolarHBondContact O-N 2.97Å; N845-I847 PolarHBondContact O-N 2.71Å; N845-I847 VanDerWaalsContact O-N 3.08Å
846	A	40.1	Very low	56.6	Low	77 Å²	77	75.5 Å²	75.5	64%	0.636	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-10.5	-179.8	0	0	0	0	0	114.3	L843	L843-A846 HydrophobicContact CD2-CB 3.8Å; L843-A846 PolarHBondContact O-N 3.15Å; L843-A846 VanDerWaalsContact O-N 3.14Å
847	I	40.4	Very low	55.8	Low	144 Å²	144	76 Å²	76	74%	0.738	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-17.6	-173.8	-58.8	-178.6	0	0	0	113.1	N845	N845-I847 PolarHBondContact O-N 2.71Å; N845-I847 VanDerWaalsContact O-N 3.08Å
848	F	36.6	Very low	55.6	Low	156 Å²	156	75.8 Å²	75.8	68%	0.684	43%	0.43	S	S	*	.	S	Bend	trans	-143.6	111.4	178.3	-78.6	-84.5	0	0	0	114.2
849	V	35.8	Very low	55.8	Low	107 Å²	107	74.7 Å²	74.7	65%	0.648	42%	0.424	S	S	*	.			trans	66.2	105.1	143.2	-170.2	0	0	0	0	118.2	T851	V849-T851 PolarHBondContact O-N 2.98Å; V849-T851 PolarHBondContact O-OG1 2.88Å
850	V	37	Very low	56.3	Low	153 Å²	153	74.1 Å²	74.1	93%	0.927	42%	0.421	S	S	*	.			trans	6.2	37.9	135.7	-161.9	0	0	0	0	119.3
851	T	38.8	Very low	57.4	Low	114 Å²	114	71.9 Å²	71.9	70%	0.699	41%	0.406	S	S	*	.			trans	-117.6	104.3	168.3	51.2	0	0	0	0	108.3	V849	V849-T851 PolarHBondContact O-N 2.98Å; V849-T851 PolarHBondContact O-OG1 2.88Å
852	D	42.7	Very low	59	Low	141 Å²	141	69.3 Å²	69.3	75%	0.754	40%	0.396	S	S	*	.			trans	48.2	112.8	169.8	-59.4	-20.9	0	0	0	117.3	T854	D852-T854 HydrophobicContact CB-CG2 4.3Å; D852-T854 PolarHBondContact O-N 3.31Å
853	N	44.1	Very low	60.9	Low	149 Å²	149	68.1 Å²	68.1	80%	0.797	39%	0.389	S	S	*	.			trans	-47.1	74	161.4	-72.6	18.8	0	0	0	112.2	D855	N853-D855 PolarHBondContact O-N 2.96Å
854	T	55.8	Low	63.3	Low	60 Å²	60	61.8 Å²	61.8	37%	0.368	36%	0.356	S	S	.	.			trans	-90.1	92	176.6	49.2	0	0	0	0	107.2	R841 D852	R841-T854 WeakPolarHBondContact CD-O 3.38Å; R841-T854 WeakPolarHBondContact CG-O 3.11Å; R841-T854 PolarHBondContact NE-O 3.37Å; R841-T854 PolarHBondContact NE-OG1 2.87Å; R841-T854 PolarHBondContact NH2-OG1 2.8Å; D852-T854 HydrophobicContact CB-CG2 4.3Å; D852-T854 PolarHBondContact O-N 3.31Å
855	D	67.6	Low	66	Low	23 Å²	23	58 Å²	58	12%	0.123	33%	0.331	C	S	.	.			trans	-57.1	164.5	167.8	-72.8	-44.7	0	0	0	111.1	Q838 N853 A857 Y1059	Q838-D855 VanDerWaalsContact CD-CB 3.48Å; Q838-D855 HydrophobicContact CG-CB 3.87Å; Q838-D855 VanDerWaalsContact NE2-CB 3.26Å; N853-D855 PolarHBondContact O-N 2.96Å; D855-A857 PolarHBondContact O-N 3.35Å; D855-A857 VanDerWaalsContact O-N 3.13Å; D855-Y1059 VanDerWaalsContact CG-CE2 3.48Å; D855-Y1059 VanDerWaalsContact OD1-CE2 3.25Å; D855-Y1059 WeakPolarHBondContact OD1-CE2 3.39Å; D855-Y1059 VanDerWaalsContact OD1-CZ 3.25Å; D855-Y1059 PolarHBondContact OD1-OH 2.78Å; D855-Y1059 VanDerWaalsContact OD2-CE2 3.32Å; D855-Y1059 WeakPolarHBondContact OD2-CE2 3.35Å
856	V	72.4	Confident	68.9	Low	5 Å²	5	55.1 Å²	55.1	3%	0.03	32%	0.315	C	S	.	.			trans	-57.5	123.8	173.3	175.7	0	0	0	0	107.6	Q838 P839 R841 A858 V1111	Q838-V856 WeakPolarHBondContact CG-O 3.42Å; Q838-V856 PolarHBondContact NE2-O 3.19Å; P839-V856 HydrophobicContact CG-CB 3.94Å; P839-V856 HydrophobicContact CG-CG1 4.28Å; P839-V856 HydrophobicContact CG-CG2 4.21Å; P839-V856 PolarHBondContact O-N 2.85Å; R841-V856 HydrophobicContact CG-CG2 4.28Å; V856-A858 HydrophobicContact CG1-CB 4.01Å; V856-A858 PolarHBondContact O-N 3.42Å; V856-V1111 HydrophobicContact CG1-CB 4.39Å; V856-V1111 HydrophobicContact CG1-CG2 4.35Å
857	A	78.8	Confident	71.6	Confident	19 Å²	19	55.9 Å²	55.9	16%	0.157	30%	0.301	C	S	.	.	S	Bend	trans	-79.2	39.9	-177.2	0	0	0	0	0	112.3	D855 P1071 V1072 F1078	D855-A857 PolarHBondContact O-N 3.35Å; D855-A857 VanDerWaalsContact O-N 3.13Å; A857-P1071 WeakPolarHBondContact O-CA 3.45Å; A857-V1072 HydrophobicContact CB-CG2 3.58Å; A857-V1072 PolarHBondContact O-N 2.85Å; A857-F1078 HydrophobicContact CB-CE2 4.36Å; A857-F1078 HydrophobicContact CB-CZ 4.33Å
858	A	86.8	Confident	74.1	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.268	C	S	.	.	S	Bend	trans	-145.3	172.4	177.1	0	0	0	0	0	109	H799 P839 V856 F1107 V1111	H799-A858 HydrophobicContact CB-CB 3.95Å; P839-A858 VanDerWaalsContact CD-O 3.28Å; P839-A858 WeakPolarHBondContact CD-O 3.42Å; V856-A858 HydrophobicContact CG1-CB 4.01Å; V856-A858 PolarHBondContact O-N 3.42Å; A858-F1107 HydrophobicContact CB-CE1 4.14Å; A858-V1111 HydrophobicContact CB-CB 4.37Å; A858-V1111 HydrophobicContact CB-CG2 4Å
859	T	92.1	Very high	76.7	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.006	25%	0.252	C	S	.	.			trans	-127.1	148.8	-176.1	58	0	0	0	0	111.8	H799 G800 N813 G814 R815 E837 F1069	H799-T859 CarbonylContact C-O 3.53Å; H799-T859 VanDerWaalsContact C-O 3.28Å; H799-T859 VanDerWaalsContact CA-O 3.24Å; H799-T859 WeakPolarHBondContact CA-O 3.4Å; G800-T859 PolarHBondContact N-O 3.18Å; N813-T859 WeakPolarHBondContact CA-OG1 3.46Å; N813-T859 PolarHBondContact OD1-N 3.17Å; N813-T859 PolarHBondContact OD1-O 3.37Å; N813-T859 PolarHBondContact OD1-OG1 3.01Å; G814-T859 PolarHBondContact N-OG1 3.08Å; G814-T859 PolarHBondContact O-OG1 3.31Å; R815-T859 HydrophobicContact CB-CG2 4.42Å; E837-T859 CarbonylContact O-C 3.52Å; E837-T859 VanDerWaalsContact O-CA 3.31Å; E837-T859 WeakPolarHBondContact O-CA 3.33Å; T859-F1069 HydrophobicContact CG2-CE1 3.7Å; T859-F1069 HydrophobicContact CG2-CZ 3.63Å
860	V	94.1	Very high	79.3	Confident	1 Å²	1	43 Å²	43	1%	0.006	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	150.3	177.8	-64.6	0	0	0	0	110.1	H799 T836 E837 P839 T862 I943 Y1058	H799-V860 HydrophobicContact CB-CG1 4.48Å; T836-V860 CarbonylContact C-O 3.6Å; T836-V860 VanDerWaalsContact CA-O 3.31Å; T836-V860 WeakPolarHBondContact CA-O 3.43Å; E837-V860 PolarHBondContact N-O 3.01Å; E837-V860 PolarHBondContact O-N 2.94Å; P839-V860 HydrophobicContact CB-CG2 4.11Å; P839-V860 HydrophobicContact CG-CG1 4.06Å; P839-V860 HydrophobicContact CG-CG2 4.06Å; V860-T862 HydrophobicContact CG2-CG2 4.19Å; V860-T862 PolarHBondContact O-N 3.07Å; V860-I943 HydrophobicContact CB-CG1 4.07Å; V860-I943 HydrophobicContact CB-CG2 4.16Å; V860-I943 HydrophobicContact CG1-CD1 3.78Å; V860-I943 HydrophobicContact CG1-CG1 3.84Å; V860-I943 HydrophobicContact CG1-CG2 4.3Å; V860-Y1058 HydrophobicContact CG2-CE2 4.26Å
861	I	97	Very high	82	Confident	5 Å²	5	35.8 Å²	35.8	3%	0.026	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	121.7	174.6	-56.9	171.4	0	0	0	108.5	A796 V834 R835 T836 G863 V864 L944 V946	A796-I861 HydrophobicContact CB-CD1 3.61Å; V834-I861 HydrophobicContact CB-CG2 4.14Å; V834-I861 HydrophobicContact CG1-CD1 4.3Å; V834-I861 HydrophobicContact CG1-CG2 4.21Å; R835-I861 WeakPolarHBondContact O-CA 3.21Å; T836-I861 HydrophobicContact CG2-CG1 3.97Å; I861-G863 WeakPolarHBondContact CG2-O 3.36Å; I861-V864 HydrophobicContact CG2-CG2 4.24Å; I861-L944 HydrophobicContact CB-CB 4.19Å; I861-L944 HydrophobicContact CG2-CB 3.94Å; I861-L944 HydrophobicContact CG2-CD1 4.47Å; I861-L944 WeakPolarHBondContact O-CB 3.5Å; I861-L944 PolarHBondContact O-N 2.78Å; I861-V946 HydrophobicContact CD1-CG2 4Å; I861-V946 HydrophobicContact CG2-CG2 4.1Å
862	T	95.3	Very high	84.7	Confident	3 Å²	3	30.8 Å²	30.8	2%	0.018	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	-14.1	176.6	58.4	0	0	0	0	112.4	R835 E837 V860 F877 S878 L944 L1057 Y1058	R835-T862 PolarHBondContact O-N 2.88Å; R835-T862 PolarHBondContact O-OG1 3.4Å; E837-T862 HydrophobicContact CB-CG2 3.9Å; E837-T862 VanDerWaalsContact CD-OG1 3.3Å; E837-T862 HydrophobicContact CG-CG2 4.13Å; E837-T862 WeakPolarHBondContact CG-OG1 3.27Å; E837-T862 WeakPolarHBondContact OE1-CB 3.35Å; E837-T862 PolarHBondContact OE1-OG1 3.38Å; V860-T862 HydrophobicContact CG2-CG2 4.19Å; V860-T862 PolarHBondContact O-N 3.07Å; T862-F877 CarbonylContact O-C 3.56Å; T862-F877 VanDerWaalsContact O-CA 3.29Å; T862-F877 WeakPolarHBondContact O-CA 3.23Å; T862-S878 PolarHBondContact O-N 3.05Å; T862-L944 WeakPolarHBondContact O-CD1 3.47Å; T862-L1057 HydrophobicContact CG2-CB 4.45Å; T862-L1057 HydrophobicContact CG2-CD2 4.34Å; T862-Y1058 HydrophobicContact CG2-CE2 3.95Å
863	G	97.1	Very high	87.2	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	150.6	178.8	0	0	0	0	0	113.4	V834 R835 I861 V876	V834-G863 CarbonylContact C-O 3.31Å; V834-G863 WeakPolarHBondContact CA-O 3.47Å; R835-G863 PolarHBondContact N-O 2.87Å; R835-G863 PolarHBondContact O-N 2.88Å; I861-G863 WeakPolarHBondContact CG2-O 3.36Å; G863-V876 CarbonylContact C-O 3.53Å; G863-V876 VanDerWaalsContact CA-O 3.26Å; G863-V876 WeakPolarHBondContact CA-O 3.36Å
864	V	98.3	Very high	89.8	Confident	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	139.6	175.3	-171.8	0	0	0	0	108.1	V832 Q833 I861 V866 Q875 V876 V935 V937 L944 V946	V832-V864 HydrophobicContact CG1-CG1 4.25Å; Q833-V864 CarbonylContact O-C 3.59Å; Q833-V864 WeakPolarHBondContact O-CA 3.46Å; I861-V864 HydrophobicContact CG2-CG2 4.24Å; V864-V866 HydrophobicContact CG1-CG2 4.04Å; V864-Q875 CarbonylContact O-C 3.52Å; V864-Q875 WeakPolarHBondContact O-CA 3.33Å; V864-V876 PolarHBondContact N-O 2.87Å; V864-V876 PolarHBondContact O-N 2.85Å; V864-V935 HydrophobicContact CG1-CG1 4.43Å; V864-V937 HydrophobicContact CB-CG2 4.31Å; V864-V937 HydrophobicContact CG1-CG2 4.39Å; V864-V937 HydrophobicContact CG2-CG1 4.21Å; V864-V937 HydrophobicContact CG2-CG2 4.11Å; V864-L944 HydrophobicContact CG2-CD1 4.14Å; V864-V946 HydrophobicContact CG1-CG1 3.98Å; V864-V946 HydrophobicContact CG2-CB 4.41Å; V864-V946 HydrophobicContact CG2-CG1 4.2Å; V864-V946 HydrophobicContact CG2-CG2 3.34Å
865	S	98.1	Very high	91.8	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	135.7	171.7	62.8	0	0	0	0	110.6	V832 Q833 V874 L1049 F1050	V832-S865 WeakPolarHBondContact CA-O 3.38Å; Q833-S865 WeakPolarHBondContact CB-OG 3.37Å; Q833-S865 PolarHBondContact N-O 3.38Å; Q833-S865 PolarHBondContact O-N 3.22Å; S865-V874 CarbonylContact C-O 3.46Å; S865-V874 VanDerWaalsContact CA-O 3.31Å; S865-V874 WeakPolarHBondContact CA-O 3.46Å; S865-L1049 WeakPolarHBondContact OG-CB 3.25Å; S865-F1050 WeakPolarHBondContact OG-CE2 3.04Å; S865-F1050 WeakPolarHBondContact OG-CZ 3.31Å
866	V	97.9	Very high	93.3	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	139.4	-173.2	-165.1	0	0	0	0	110.9	F830 T831 V832 V864 V874 I927 F929 V935	F830-V866 HydrophobicContact CE2-CG1 3.74Å; F830-V866 HydrophobicContact CZ-CG1 4.12Å; T831-V866 WeakPolarHBondContact O-CA 3.41Å; V832-V866 HydrophobicContact CG1-CG2 4.25Å; V832-V866 HydrophobicContact CG2-CG1 3.98Å; V864-V866 HydrophobicContact CG1-CG2 4.04Å; V866-V874 PolarHBondContact N-O 2.89Å; V866-V874 PolarHBondContact O-N 2.67Å; V866-I927 HydrophobicContact CG2-CD1 3.97Å; V866-F929 HydrophobicContact CB-CE2 4.27Å; V866-F929 HydrophobicContact CB-CZ 3.97Å; V866-F929 HydrophobicContact CG1-CE2 3.43Å; V866-F929 VanDerWaalsContact CG1-CE2 3.43Å; V866-F929 HydrophobicContact CG1-CZ 3.47Å; V866-F929 VanDerWaalsContact CG1-CZ 3.47Å; V866-V935 HydrophobicContact CG1-CG2 3.93Å; V866-V935 HydrophobicContact CG2-CB 4.15Å; V866-V935 HydrophobicContact CG2-CG1 4.16Å; V866-V935 HydrophobicContact CG2-CG2 3.89Å
867	R	96.5	Very high	94.4	Very high	92 Å²	92	15 Å²	15	35%	0.347	7%	0.074	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	135.8	169.7	-173.4	-177.2	-177.2	134.5	5.7	110.3	F830 T831 Q869 I873 L1049	F830-R867 WeakPolarHBondContact CA-O 3.49Å; T831-R867 PolarHBondContact N-O 2.79Å; T831-R867 PolarHBondContact O-N 3.48Å; R867-Q869 PolarHBondContact NE-O 3.13Å; R867-I873 HydrophobicContact CB-CG1 4.39Å; R867-I873 HydrophobicContact CG-CG1 4.31Å; R867-L1049 HydrophobicContact CB-CD1 3.68Å; R867-L1049 HydrophobicContact CB-CD2 4.2Å
868	D	93.7	Very high	95.1	Very high	7 Å²	7	14.4 Å²	14.4	4%	0.037	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	122.2	172.1	-170.8	20	0	0	0	109.5	F830 D870 S871 F929 S931 T933 Y954	F830-D868 HydrophobicContact CD2-CB 3.73Å; F830-D868 HydrophobicContact CE2-CB 4.31Å; D868-D870 PolarHBondContact O-N 3.27Å; D868-D870 VanDerWaalsContact O-N 3.12Å; D868-S871 PolarHBondContact N-OG 3.42Å; D868-S871 VanDerWaalsContact N-OG 3.07Å; D868-S871 WeakPolarHBondContact O-CB 3.35Å; D868-S871 PolarHBondContact O-N 2.71Å; D868-S871 PolarHBondContact O-OG 2.67Å; D868-S871 VanDerWaalsContact O-OG 3.09Å; D868-F929 HydrophobicContact CB-CB 3.97Å; D868-F929 HydrophobicContact CB-CD1 3.46Å; D868-F929 VanDerWaalsContact CB-CD1 3.46Å; D868-F929 HydrophobicContact CB-CD2 4.2Å; D868-F929 HydrophobicContact CB-CE1 3.95Å; D868-F929 HydrophobicContact CB-CG 3.61Å; D868-F929 WeakPolarHBondContact OD2-CB 3.35Å; D868-S931 WeakPolarHBondContact OD2-CB 3.29Å; D868-S931 PolarHBondContact OD2-OG 2.77Å; D868-T933 PolarHBondContact OD2-OG1 2.68Å; D868-Y954 PolarHBondContact OD1-OH 3.13Å
869	Q	90.1	Very high	95.2	Very high	76 Å²	76	14.5 Å²	14.5	36%	0.355	7%	0.069	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	-116	-177.2	-56.4	174.3	9	0	0	111.3	K829 R867	K829-Q869 PolarHBondContact O-N 2.82Å; R867-Q869 PolarHBondContact NE-O 3.13Å
870	D	90.7	Very high	94.8	Very high	53 Å²	53	16.2 Å²	16.2	28%	0.283	8%	0.076	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	21.7	177.7	74.3	-38.5	0	0	0	112.6	D868 K909 R910	D868-D870 PolarHBondContact O-N 3.27Å; D868-D870 VanDerWaalsContact O-N 3.12Å; D870-K909 WeakPolarHBondContact O-CD 3.32Å; D870-K909 WeakPolarHBondContact O-CE 3.46Å; D870-K909 PolarHBondContact O-NZ 3.37Å; D870-K909 WeakPolarHBondContact OD2-CE 3.36Å; D870-K909 IonicContact OD2-NZ 2.77Å; D870-K909 PolarHBondContact OD2-NZ 3.12Å; D870-R910 VanDerWaalsContact OD1-CD 3.29Å; D870-R910 WeakPolarHBondContact OD1-CD 3.3Å; D870-R910 IonicContact OD1-CZ 3.79Å; D870-R910 IonicContact OD1-NE 3.53Å; D870-R910 IonicContact OD1-NH1 3.34Å; D870-R910 PolarHBondContact OD1-NH1 3.12Å; D870-R910 IonicContact OD2-CZ 3.55Å; D870-R910 IonicContact OD2-NH1 2.96Å; D870-R910 PolarHBondContact OD2-NH1 3.49Å
871	S	94.4	Very high	94.1	Very high	3 Å²	3	22.7 Å²	22.7	2%	0.021	11%	0.106	C	C	.	.	P	Polyproline II helix	trans	-59.5	164.8	173.6	76.4	0	0	0	0	112.1	D868 K909 F929	D868-S871 PolarHBondContact N-OG 3.42Å; D868-S871 VanDerWaalsContact N-OG 3.07Å; D868-S871 WeakPolarHBondContact O-CB 3.35Å; D868-S871 PolarHBondContact O-N 2.71Å; D868-S871 PolarHBondContact O-OG 2.67Å; D868-S871 VanDerWaalsContact O-OG 3.09Å; S871-K909 CarbonylContact C-O 3.46Å; S871-K909 WeakPolarHBondContact CA-O 3.49Å; S871-K909 WeakPolarHBondContact CB-O 3.38Å; S871-F929 WeakPolarHBondContact OG-CE1 3.24Å
872	S	94.7	Very high	93.2	Very high	8 Å²	8	29.1 Å²	29.1	6%	0.056	13%	0.134	C	C	.	.	P	Polyproline II helix	trans	-56.3	147.9	160.4	-70.6	0	0	0	0	110.6	D894 K909	S872-D894 WeakPolarHBondContact CA-OD1 3.44Å; S872-D894 WeakPolarHBondContact CB-OD2 3.46Å; S872-D894 PolarHBondContact OG-OD2 3.38Å; S872-K909 PolarHBondContact N-O 3.39Å; S872-K909 WeakPolarHBondContact OG-CB 3.46Å
873	I	96.7	Very high	92.7	Very high	33 Å²	33	30.3 Å²	30.3	17%	0.169	14%	0.139	C	C	.	.	P	Polyproline II helix	trans	-83.8	123.6	173.4	-59.5	173.7	0	0	0	107.6	R867 Q875 V893 D894 L1049	R867-I873 HydrophobicContact CB-CG1 4.39Å; R867-I873 HydrophobicContact CG-CG1 4.31Å; I873-Q875 HydrophobicContact CG2-CG 4.19Å; I873-V893 CarbonylContact O-C 3.58Å; I873-V893 VanDerWaalsContact O-CA 3.32Å; I873-V893 WeakPolarHBondContact O-CA 3.35Å; I873-D894 PolarHBondContact N-OD1 2.78Å; I873-D894 PolarHBondContact O-N 2.86Å; I873-L1049 HydrophobicContact CD1-CD2 4.04Å; I873-L1049 HydrophobicContact CG1-CD2 4.42Å; I873-L1049 HydrophobicContact CG2-CB 4.26Å
874	V	98	Very high	92.2	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	130.4	175.2	-175.5	0	0	0	0	109	S865 V866 V891 L892 V893 V911 V913 I927	S865-V874 CarbonylContact C-O 3.46Å; S865-V874 VanDerWaalsContact CA-O 3.31Å; S865-V874 WeakPolarHBondContact CA-O 3.46Å; V866-V874 PolarHBondContact N-O 2.89Å; V866-V874 PolarHBondContact O-N 2.67Å; V874-V891 HydrophobicContact CG1-CG1 4.42Å; V874-L892 CarbonylContact C-O 3.46Å; V874-L892 WeakPolarHBondContact CA-O 3.48Å; V874-V893 HydrophobicContact CG1-CG2 4.31Å; V874-V893 HydrophobicContact CG2-CG1 4.34Å; V874-V893 HydrophobicContact CG2-CG2 4.18Å; V874-V911 HydrophobicContact CG2-CG1 3.97Å; V874-V911 HydrophobicContact CG2-CG2 3.91Å; V874-V913 HydrophobicContact CG1-CG2 4Å; V874-V913 HydrophobicContact CG2-CG2 4.05Å; V874-I927 HydrophobicContact CB-CD1 4.16Å; V874-I927 HydrophobicContact CB-CG2 3.98Å; V874-I927 HydrophobicContact CG1-CD1 3.65Å; V874-I927 HydrophobicContact CG1-CG1 3.94Å; V874-I927 HydrophobicContact CG1-CG2 4.16Å; V874-I927 HydrophobicContact CG2-CG2 3.99Å
875	Q	97.9	Very high	91.5	Very high	6 Å²	6	35.7 Å²	35.7	3%	0.028	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	139.4	175.9	-55.4	167.1	-30.6	0	0	110.1	V864 I873 F877 V891 L892 L1049 S1051	V864-Q875 CarbonylContact O-C 3.52Å; V864-Q875 WeakPolarHBondContact O-CA 3.33Å; I873-Q875 HydrophobicContact CG2-CG 4.19Å; Q875-F877 HydrophobicContact CB-CD2 4.37Å; Q875-F877 HydrophobicContact CB-CE2 3.56Å; Q875-F877 HydrophobicContact CB-CZ 4.03Å; Q875-F877 HydrophobicContact CG-CE2 4.42Å; Q875-V891 CarbonylContact O-C 3.58Å; Q875-V891 WeakPolarHBondContact O-CA 3.33Å; Q875-L892 HydrophobicContact CB-CB 4.29Å; Q875-L892 PolarHBondContact N-O 2.74Å; Q875-L892 PolarHBondContact O-N 2.73Å; Q875-L1049 PolarHBondContact NE2-O 2.84Å; Q875-S1051 VanDerWaalsContact NE2-N 3.19Å; Q875-S1051 PolarHBondContact NE2-OG 2.82Å; Q875-S1051 PolarHBondContact OE1-OG 2.78Å
876	V	98	Very high	91	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	126.3	176.6	-176	0	0	0	0	108.7	G863 V864 T889 D890 V891 V925 I927 V937	G863-V876 CarbonylContact C-O 3.53Å; G863-V876 VanDerWaalsContact CA-O 3.26Å; G863-V876 WeakPolarHBondContact CA-O 3.36Å; V864-V876 PolarHBondContact N-O 2.87Å; V864-V876 PolarHBondContact O-N 2.85Å; V876-T889 HydrophobicContact CG1-CG2 4.08Å; V876-D890 CarbonylContact C-O 3.57Å; V876-D890 WeakPolarHBondContact CA-O 3.25Å; V876-V891 HydrophobicContact CG1-CG2 4.48Å; V876-V891 HydrophobicContact CG2-CG1 4.45Å; V876-V891 HydrophobicContact CG2-CG2 4.34Å; V876-V925 HydrophobicContact CG1-CG2 4.46Å; V876-V925 HydrophobicContact CG2-CG1 4.21Å; V876-I927 HydrophobicContact CG2-CD1 3.99Å; V876-V937 HydrophobicContact CB-CG1 4.28Å; V876-V937 HydrophobicContact CB-CG2 4.38Å; V876-V937 HydrophobicContact CG1-CB 4.28Å; V876-V937 HydrophobicContact CG1-CG1 3.84Å; V876-V937 HydrophobicContact CG2-CG2 4.39Å
877	F	95.7	Very high	90.7	Very high	8 Å²	8	38.8 Å²	38.8	4%	0.035	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	145.5	-178.6	-60.8	-84	0	0	0	111.9	R835 T862 Q875 T889 D890 L892 F1050 P1054	R835-F877 VanDerWaalsContact CZ-CE1 3.49Å; T862-F877 CarbonylContact O-C 3.56Å; T862-F877 VanDerWaalsContact O-CA 3.29Å; T862-F877 WeakPolarHBondContact O-CA 3.23Å; Q875-F877 HydrophobicContact CB-CD2 4.37Å; Q875-F877 HydrophobicContact CB-CE2 3.56Å; Q875-F877 HydrophobicContact CB-CZ 4.03Å; Q875-F877 HydrophobicContact CG-CE2 4.42Å; F877-T889 CarbonylContact O-C 3.55Å; F877-T889 WeakPolarHBondContact O-CA 3.24Å; F877-T889 WeakPolarHBondContact O-CB 3.17Å; F877-D890 HydrophobicContact CB-CB 4.45Å; F877-D890 PolarHBondContact N-O 3.33Å; F877-D890 PolarHBondContact O-N 2.96Å; F877-L892 HydrophobicContact CD2-CD1 3.95Å; F877-L892 HydrophobicContact CE2-CD1 4.17Å; F877-F1050 AromaticContact CE1-CD1 3.86Å; F877-F1050 HydrophobicContact CE1-CD1 3.86Å; F877-F1050 AromaticContact CE1-CE1 3.8Å; F877-F1050 HydrophobicContact CE1-CE1 3.8Å; F877-F1050 AromaticContact CZ-CD1 3.79Å; F877-F1050 HydrophobicContact CZ-CD1 3.79Å; F877-F1050 HydrophobicContact CZ-CE1 4.01Å; F877-P1054 HydrophobicContact CD1-CG 3.96Å; F877-P1054 HydrophobicContact CD2-CG 3.51Å; F877-P1054 HydrophobicContact CE1-CG 3.96Å; F877-P1054 VanDerWaalsContact CE2-CD 3.44Å; F877-P1054 HydrophobicContact CE2-CG 3.48Å; F877-P1054 VanDerWaalsContact CE2-CG 3.48Å; F877-P1054 HydrophobicContact CG-CG 3.74Å; F877-P1054 HydrophobicContact CZ-CG 3.7Å
878	S	94.3	Very high	90.5	Very high	7 Å²	7	37.9 Å²	37.9	5%	0.049	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	142.7	165.9	178.6	0	0	0	0	110.5	T862 R884 G942	T862-S878 PolarHBondContact O-N 3.05Å; S878-R884 PolarHBondContact OG-NH2 2.7Å; S878-G942 VanDerWaalsContact CB-O 3.27Å; S878-G942 WeakPolarHBondContact CB-O 3.21Å; S878-G942 VanDerWaalsContact OG-C 3.29Å; S878-G942 VanDerWaalsContact OG-CA 3.24Å; S878-G942 WeakPolarHBondContact OG-CA 3.45Å; S878-G942 PolarHBondContact OG-O 3.09Å
879	R	89.5	Confident	90.6	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.008	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-89.1	163.2	178.2	-73.1	173.9	150	-128.7	-9.1	112.5	E347 R883 R884 Y887 R888 D890 F899	E347-R879 IonicContact OE1-NH1 3.17Å; E347-R879 PolarHBondContact OE1-NH1 3.29Å; E347-R879 IonicContact OE2-CZ 3.06Å; E347-R879 IonicContact OE2-NH1 3.89Å; E347-R879 PolarHBondContact OE2-NH1 2.93Å; E347-R879 IonicContact OE2-NH2 2.76Å; E347-R879 PolarHBondContact OE2-NH2 2.74Å; R879-R883 PolarHBondContact NH1-O 3.44Å; R879-R883 VanDerWaalsContact NH1-O 3.12Å; R879-R884 HydrophobicContact CB-CG 3.88Å; R879-R884 PolarHBondContact O-NE 2.61Å; R879-R884 PolarHBondContact O-NH2 3.21Å; R879-Y887 WeakPolarHBondContact CD-O 3.32Å; R879-R888 WeakPolarHBondContact CB-O 3.36Å; R879-R888 PolarHBondContact N-O 2.9Å; R879-D890 IonicContact CZ-OD1 2.67Å; R879-D890 IonicContact NE-OD1 3.19Å; R879-D890 PolarHBondContact NE-OD1 3.26Å; R879-D890 IonicContact NE-OD2 2.72Å; R879-D890 IonicContact NH2-OD1 2.67Å; R879-D890 PolarHBondContact NH2-OD1 3.45Å; R879-F899 VanDerWaalsContact NH2-CE1 3.29Å
880	K	81.9	Confident	90.7	Very high	36 Å²	36	34.7 Å²	34.7	16%	0.157	15%	0.152	C	C	.	.	P	Polyproline II helix	trans	-64.7	144.7	169.8	-68	-177	174.9	173.8	0	109.9	N311 F882 R883 R884 L1057	N311-K880 PolarHBondContact O-NZ 2.86Å; K880-F882 VanDerWaalsContact C-N 3.29Å; K880-F882 PolarHBondContact O-N 3.29Å; K880-F882 VanDerWaalsContact O-N 3.13Å; K880-R883 WeakPolarHBondContact O-CA 3.18Å; K880-R883 PolarHBondContact O-N 3.27Å; K880-R884 PolarHBondContact O-N 3.15Å; K880-L1057 HydrophobicContact CB-CD1 4.27Å; K880-L1057 HydrophobicContact CD-CD1 4.4Å; K880-L1057 WeakPolarHBondContact CE-O 3.29Å; K880-L1057 HydrophobicContact CG-CD1 3.33Å; K880-L1057 HydrophobicContact CG-CG 4.28Å
881	Q	80.8	Confident	90.9	Very high	138 Å²	138	32.1 Å²	32.1	65%	0.645	14%	0.139	S	C	*	.	G	3₁₀ helix	trans	-47.9	-47	-173	-175.1	178.8	7.2	0	0	113.5	R883 R884	Q881-R883 VanDerWaalsContact C-N 3.3Å; Q881-R883 PolarHBondContact O-N 3.27Å; Q881-R884 WeakPolarHBondContact O-CB 3.33Å; Q881-R884 PolarHBondContact O-N 2.81Å
882	F	78.4	Confident	90.9	Very high	140 Å²	140	32.8 Å²	32.8	61%	0.614	14%	0.142	S	C	*	.	G	3₁₀ helix	trans	-75.7	-13.1	-178.5	-53	-75.5	0	0	0	114.6	F110 K880	F110-F882 HydrophobicContact CD1-CB 3.67Å; F110-F882 HydrophobicContact CE1-CB 3.72Å; K880-F882 VanDerWaalsContact C-N 3.29Å; K880-F882 PolarHBondContact O-N 3.29Å; K880-F882 VanDerWaalsContact O-N 3.13Å
883	R	84.2	Confident	90.9	Very high	28 Å²	28	32.6 Å²	32.6	11%	0.106	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-93.8	1.3	173.4	-64.6	-176.9	68.9	-139.6	-0	113	Y108 G109 F110 E347 R879 K880 Q881 W885 D890	Y108-R883 PolarHBondContact O-NE 2.79Å; G109-R883 WeakPolarHBondContact O-CA 3.49Å; F110-R883 HydrophobicContact CD1-CG 3.96Å; F110-R883 HydrophobicContact CD2-CG 4.14Å; F110-R883 HydrophobicContact CE1-CG 3.68Å; F110-R883 HydrophobicContact CE2-CG 3.85Å; F110-R883 HydrophobicContact CG-CG 4.18Å; F110-R883 HydrophobicContact CZ-CG 3.61Å; E347-R883 IonicContact OE2-NH2 2.61Å; R879-R883 PolarHBondContact NH1-O 3.44Å; R879-R883 VanDerWaalsContact NH1-O 3.12Å; K880-R883 WeakPolarHBondContact O-CA 3.18Å; K880-R883 PolarHBondContact O-N 3.27Å; Q881-R883 VanDerWaalsContact C-N 3.3Å; Q881-R883 PolarHBondContact O-N 3.27Å; R883-W885 VanDerWaalsContact C-N 3.34Å; R883-D890 IonicContact NH1-OD2 3.69Å
884	R	86.5	Confident	90.6	Very high	28 Å²	28	35.7 Å²	35.7	11%	0.106	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-4.8	-177.2	-73.9	-179.2	-159	153.5	6.2	114	S878 R879 K880 Q881 R886 Y887 R888 E939 R941	S878-R884 PolarHBondContact OG-NH2 2.7Å; R879-R884 HydrophobicContact CB-CG 3.88Å; R879-R884 PolarHBondContact O-NE 2.61Å; R879-R884 PolarHBondContact O-NH2 3.21Å; K880-R884 PolarHBondContact O-N 3.15Å; Q881-R884 WeakPolarHBondContact O-CB 3.33Å; Q881-R884 PolarHBondContact O-N 2.81Å; R884-R886 VanDerWaalsContact C-N 3.35Å; R884-R886 PolarHBondContact O-N 3.02Å; R884-Y887 VanDerWaalsContact CA-O 3.29Å; R884-Y887 WeakPolarHBondContact CA-O 3.12Å; R884-R888 WeakPolarHBondContact O-CD 3.39Å; R884-R888 PolarHBondContact O-NH1 2.91Å; R884-E939 IonicContact CZ-OE1 2.68Å; R884-E939 IonicContact NE-OE1 3.83Å; R884-E939 IonicContact NH1-OE1 3.99Å; R884-R941 PolarHBondContact NH1-O 2.78Å
885	W	84.2	Confident	90	Very high	85 Å²	85	37.6 Å²	37.6	32%	0.322	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-43.8	-171.7	73.2	-86.7	0	0	0	112.8	G109 R111 R883 R888	G109-W885 PolarHBondContact O-NE1 3Å; R111-W885 HydrophobicContact CB-CD2 4.3Å; R111-W885 HydrophobicContact CB-CG 4.34Å; R883-W885 VanDerWaalsContact C-N 3.34Å; W885-R888 PolarHBondContact O-NH1 2.96Å
886	R	87.5	Confident	89.3	Confident	59 Å²	59	43.3 Å²	43.3	22%	0.223	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-59.2	177.9	-169.7	173.1	176	157.6	-4.4	111.9	R884 D901 N921	R884-R886 VanDerWaalsContact C-N 3.35Å; R884-R886 PolarHBondContact O-N 3.02Å; R886-D901 IonicContact NH2-OD2 2.6Å; R886-D901 PolarHBondContact NH2-OD2 3.26Å; R886-N921 WeakPolarHBondContact O-CA 3.19Å
887	Y	90.9	Very high	88.7	Confident	6 Å²	6	46.7 Å²	46.7	2%	0.024	22%	0.219	C	C	.	.			trans	-116.7	138.6	-177.8	-50.8	-63.3	0	0	0	111.3	E347 R879 R884 F899 D901 N921 Q922	E347-Y887 HydrophobicContact CG-CD2 4.07Å; E347-Y887 HydrophobicContact CG-CE2 3.79Å; E347-Y887 VanDerWaalsContact OE1-CD2 3.29Å; E347-Y887 WeakPolarHBondContact OE1-CD2 3.17Å; E347-Y887 WeakPolarHBondContact OE1-CE2 3.4Å; R879-Y887 WeakPolarHBondContact CD-O 3.32Å; R884-Y887 VanDerWaalsContact CA-O 3.29Å; R884-Y887 WeakPolarHBondContact CA-O 3.12Å; Y887-F899 HydrophobicContact CD1-CD1 4.37Å; Y887-F899 AromaticContact CD2-CD1 3.57Å; Y887-F899 HydrophobicContact CD2-CD1 3.57Å; Y887-F899 AromaticContact CD2-CE1 3.49Å; Y887-F899 HydrophobicContact CD2-CE1 3.49Å; Y887-F899 VanDerWaalsContact CD2-CE1 3.49Å; Y887-F899 HydrophobicContact CD2-CZ 4.45Å; Y887-F899 HydrophobicContact CE1-CD1 4.29Å; Y887-F899 AromaticContact CE2-CD1 3.46Å; Y887-F899 HydrophobicContact CE2-CD1 3.46Å; Y887-F899 VanDerWaalsContact CE2-CD1 3.46Å; Y887-F899 AromaticContact CE2-CE1 3.67Å; Y887-F899 HydrophobicContact CE2-CE1 3.67Å; Y887-F899 HydrophobicContact CE2-CG 4.07Å; Y887-F899 HydrophobicContact CE2-CZ 4.43Å; Y887-F899 HydrophobicContact CG-CD1 4.01Å; Y887-F899 HydrophobicContact CG-CE1 4.16Å; Y887-F899 AromaticContact CZ-CD1 3.82Å; Y887-D901 HydrophobicContact CE1-CB 4.17Å; Y887-D901 VanDerWaalsContact OH-CG 3.3Å; Y887-D901 PolarHBondContact OH-OD2 2.87Å; Y887-N921 CarbonylContact C-O 3.34Å; Y887-N921 WeakPolarHBondContact CA-O 3.27Å; Y887-Q922 HydrophobicContact CD1-CB 4.4Å; Y887-Q922 HydrophobicContact CD1-CG 3.98Å
888	R	93.3	Very high	88.4	Confident	72 Å²	72	47.9 Å²	47.9	27%	0.272	22%	0.223	S	C	.	.	S	Bend	trans	-86.9	-35.7	177.5	-64.5	-51.8	-172.9	-83.3	2.7	112.6	R879 R884 W885 N921 E939	R879-R888 WeakPolarHBondContact CB-O 3.36Å; R879-R888 PolarHBondContact N-O 2.9Å; R884-R888 WeakPolarHBondContact O-CD 3.39Å; R884-R888 PolarHBondContact O-NH1 2.91Å; W885-R888 PolarHBondContact O-NH1 2.96Å; R888-N921 HydrophobicContact CG-CB 4.2Å; R888-N921 PolarHBondContact N-O 3.42Å; R888-E939 HydrophobicContact CB-CB 4.16Å; R888-E939 HydrophobicContact CB-CG 4.07Å; R888-E939 WeakPolarHBondContact CB-OE2 3.28Å; R888-E939 WeakPolarHBondContact CG-OE2 3.4Å
889	T	95.1	Very high	88	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	154	177.7	65.1	0	0	0	0	113.6	V876 F877 Q922 E939 L944	V876-T889 HydrophobicContact CG1-CG2 4.08Å; F877-T889 CarbonylContact O-C 3.55Å; F877-T889 WeakPolarHBondContact O-CA 3.24Å; F877-T889 WeakPolarHBondContact O-CB 3.17Å; T889-Q922 PolarHBondContact N-O 2.86Å; T889-Q922 PolarHBondContact OG1-O 2.93Å; T889-E939 HydrophobicContact CG2-CB 3.73Å; T889-E939 HydrophobicContact CG2-CG 4.28Å; T889-L944 HydrophobicContact CG2-CD2 4.02Å
890	D	92.7	Very high	88	Confident	16 Å²	16	49.3 Å²	49.3	9%	0.086	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	127.4	163.5	-79.7	-24.7	0	0	0	109.9	V876 F877 R879 R883 L892 K897	V876-D890 CarbonylContact C-O 3.57Å; V876-D890 WeakPolarHBondContact CA-O 3.25Å; F877-D890 HydrophobicContact CB-CB 4.45Å; F877-D890 PolarHBondContact N-O 3.33Å; F877-D890 PolarHBondContact O-N 2.96Å; R879-D890 IonicContact CZ-OD1 2.67Å; R879-D890 IonicContact NE-OD1 3.19Å; R879-D890 PolarHBondContact NE-OD1 3.26Å; R879-D890 IonicContact NE-OD2 2.72Å; R879-D890 IonicContact NH2-OD1 2.67Å; R879-D890 PolarHBondContact NH2-OD1 3.45Å; R883-D890 IonicContact NH1-OD2 3.69Å; D890-L892 HydrophobicContact CB-CD1 4.15Å; D890-K897 WeakPolarHBondContact OD1-CE 3.26Å; D890-K897 IonicContact OD1-NZ 3.88Å; D890-K897 PolarHBondContact OD1-NZ 2.91Å; D890-K897 IonicContact OD2-NZ 3.76Å; D890-K897 PolarHBondContact OD2-NZ 3.06Å
891	V	95	Very high	87.8	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	122.4	176.8	-176.8	0	0	0	0	108.8	V874 Q875 V876 K897 Y898 F900 V913 V925	V874-V891 HydrophobicContact CG1-CG1 4.42Å; Q875-V891 CarbonylContact O-C 3.58Å; Q875-V891 WeakPolarHBondContact O-CA 3.33Å; V876-V891 HydrophobicContact CG1-CG2 4.48Å; V876-V891 HydrophobicContact CG2-CG1 4.45Å; V876-V891 HydrophobicContact CG2-CG2 4.34Å; V891-K897 WeakPolarHBondContact O-CA 3.34Å; V891-Y898 PolarHBondContact O-N 2.82Å; V891-F900 HydrophobicContact CB-CE2 4.14Å; V891-F900 HydrophobicContact CG1-CE2 4.02Å; V891-F900 HydrophobicContact CG2-CE2 4.34Å; V891-V913 HydrophobicContact CG1-CG1 4.2Å; V891-V925 HydrophobicContact CG2-CG1 4.22Å; V891-V925 HydrophobicContact CG2-CG2 4.07Å
892	L	94.2	Very high	87.3	Confident	17 Å²	17	47.5 Å²	47.5	9%	0.089	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	137.8	175.8	-70.5	70.9	0	0	0	109.6	V874 Q875 F877 D890 E896	V874-L892 CarbonylContact C-O 3.46Å; V874-L892 WeakPolarHBondContact CA-O 3.48Å; Q875-L892 HydrophobicContact CB-CB 4.29Å; Q875-L892 PolarHBondContact N-O 2.74Å; Q875-L892 PolarHBondContact O-N 2.73Å; F877-L892 HydrophobicContact CD2-CD1 3.95Å; F877-L892 HydrophobicContact CE2-CD1 4.17Å; D890-L892 HydrophobicContact CB-CD1 4.15Å; L892-E896 CarbonylContact C-O 3.53Å; L892-E896 WeakPolarHBondContact CA-O 3.34Å
893	V	93.2	Very high	87.4	Confident	3 Å²	3	41.4 Å²	41.4	2%	0.018	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	120.7	172.7	-174.5	0	0	0	0	108.4	I873 V874 G895 E896 Y898 F908 V913	I873-V893 CarbonylContact O-C 3.58Å; I873-V893 VanDerWaalsContact O-CA 3.32Å; I873-V893 WeakPolarHBondContact O-CA 3.35Å; V874-V893 HydrophobicContact CG1-CG2 4.31Å; V874-V893 HydrophobicContact CG2-CG1 4.34Å; V874-V893 HydrophobicContact CG2-CG2 4.18Å; V893-G895 PolarHBondContact O-N 3.03Å; V893-G895 VanDerWaalsContact O-N 3.13Å; V893-E896 PolarHBondContact N-O 3.36Å; V893-E896 PolarHBondContact O-N 2.91Å; V893-Y898 HydrophobicContact CB-CD2 3.93Å; V893-Y898 HydrophobicContact CB-CE2 3.79Å; V893-Y898 HydrophobicContact CG2-CD2 3.89Å; V893-Y898 HydrophobicContact CG2-CE2 4.24Å; V893-F908 HydrophobicContact CB-CD1 4.27Å; V893-F908 HydrophobicContact CB-CE1 4.14Å; V893-F908 HydrophobicContact CB-CZ 4.26Å; V893-F908 HydrophobicContact CG1-CB 4.18Å; V893-F908 HydrophobicContact CG1-CD1 3.77Å; V893-F908 HydrophobicContact CG1-CD2 4.19Å; V893-F908 HydrophobicContact CG1-CE1 4.15Å; V893-F908 HydrophobicContact CG1-CG 3.79Å; V893-F908 HydrophobicContact CG2-CD2 4.19Å; V893-F908 HydrophobicContact CG2-CE1 4.26Å; V893-F908 HydrophobicContact CG2-CE2 3.83Å; V893-F908 HydrophobicContact CG2-CZ 3.86Å; V893-V913 HydrophobicContact CG2-CG2 4.37Å
894	D	91	Very high	87.6	Confident	98 Å²	98	41.4 Å²	41.4	52%	0.524	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.5	32.2	-173.1	-62.1	-36.8	0	0	0	113.4	S872 I873	S872-D894 WeakPolarHBondContact CA-OD1 3.44Å; S872-D894 WeakPolarHBondContact CB-OD2 3.46Å; S872-D894 PolarHBondContact OG-OD2 3.38Å; I873-D894 PolarHBondContact N-OD1 2.78Å; I873-D894 PolarHBondContact O-N 2.86Å
895	G	85.7	Confident	87.8	Confident	41 Å²	41	40.8 Å²	40.8	42%	0.423	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.8	-14.8	-178.9	0	0	0	0	0	115	V893	V893-G895 PolarHBondContact O-N 3.03Å; V893-G895 VanDerWaalsContact O-N 3.13Å
896	E	83.9	Confident	88.1	Confident	126 Å²	126	38.2 Å²	38.2	59%	0.589	19%	0.185	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-89.8	137.3	-179.2	-70.7	-59	139.7	0	0	112.2	L892 V893 Y898	L892-E896 CarbonylContact C-O 3.53Å; L892-E896 WeakPolarHBondContact CA-O 3.34Å; V893-E896 PolarHBondContact N-O 3.36Å; V893-E896 PolarHBondContact O-N 2.91Å; E896-Y898 HydrophobicContact CB-CE2 3.89Å; E896-Y898 VanDerWaalsContact O-CD2 3.25Å; E896-Y898 WeakPolarHBondContact O-CD2 3.27Å; E896-Y898 WeakPolarHBondContact O-CE2 3.39Å
897	K	85.3	Confident	88.2	Confident	71 Å²	71	36.4 Å²	36.4	31%	0.309	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	134.1	-173.9	-170.3	177.9	-168.6	168.8	0	112.4	D890 V891 F899	D890-K897 WeakPolarHBondContact OD1-CE 3.26Å; D890-K897 IonicContact OD1-NZ 3.88Å; D890-K897 PolarHBondContact OD1-NZ 2.91Å; D890-K897 IonicContact OD2-NZ 3.76Å; D890-K897 PolarHBondContact OD2-NZ 3.06Å; V891-K897 WeakPolarHBondContact O-CA 3.34Å; K897-F899 HydrophobicContact CD-CE2 4.17Å; K897-F899 HydrophobicContact CD-CZ 3.86Å; K897-F899 HydrophobicContact CG-CE2 4.39Å; K897-F899 HydrophobicContact CG-CZ 4.32Å
898	Y	88.5	Confident	88.3	Confident	32 Å²	32	36.7 Å²	36.7	13%	0.125	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	134.4	-178.6	-68	-72.6	0	0	0	113.2	V891 V893 E896 F908	V891-Y898 PolarHBondContact O-N 2.82Å; V893-Y898 HydrophobicContact CB-CD2 3.93Å; V893-Y898 HydrophobicContact CB-CE2 3.79Å; V893-Y898 HydrophobicContact CG2-CD2 3.89Å; V893-Y898 HydrophobicContact CG2-CE2 4.24Å; E896-Y898 HydrophobicContact CB-CE2 3.89Å; E896-Y898 VanDerWaalsContact O-CD2 3.25Å; E896-Y898 WeakPolarHBondContact O-CD2 3.27Å; E896-Y898 WeakPolarHBondContact O-CE2 3.39Å; Y898-F908 HydrophobicContact CD1-CZ 4.39Å; Y898-F908 HydrophobicContact CD2-CE1 4.1Å; Y898-F908 AromaticContact CD2-CZ 3.89Å; Y898-F908 HydrophobicContact CD2-CZ 3.89Å; Y898-F908 HydrophobicContact CE1-CE1 4.17Å; Y898-F908 HydrophobicContact CE1-CZ 4.36Å; Y898-F908 AromaticContact CE2-CE1 3.6Å; Y898-F908 HydrophobicContact CE2-CE1 3.6Å; Y898-F908 AromaticContact CE2-CZ 3.88Å; Y898-F908 HydrophobicContact CE2-CZ 3.88Å; Y898-F908 HydrophobicContact CG-CZ 4.13Å; Y898-F908 AromaticContact CZ-CE1 3.6Å
899	F	87.2	Confident	88.2	Confident	39 Å²	39	38.6 Å²	38.6	17%	0.171	19%	0.191	C	C	.	.			trans	-111.1	139.1	172	-61.8	-71.4	0	0	0	109.9	E347 R879 Y887 K897 R906	E347-F899 HydrophobicContact CB-CE1 4.48Å; E347-F899 HydrophobicContact CB-CE2 3.89Å; E347-F899 HydrophobicContact CB-CZ 3.56Å; E347-F899 HydrophobicContact CG-CE1 4.09Å; E347-F899 HydrophobicContact CG-CE2 4.08Å; E347-F899 HydrophobicContact CG-CZ 3.61Å; R879-F899 VanDerWaalsContact NH2-CE1 3.29Å; Y887-F899 HydrophobicContact CD1-CD1 4.37Å; Y887-F899 AromaticContact CD2-CD1 3.57Å; Y887-F899 HydrophobicContact CD2-CD1 3.57Å; Y887-F899 AromaticContact CD2-CE1 3.49Å; Y887-F899 HydrophobicContact CD2-CE1 3.49Å; Y887-F899 VanDerWaalsContact CD2-CE1 3.49Å; Y887-F899 HydrophobicContact CD2-CZ 4.45Å; Y887-F899 HydrophobicContact CE1-CD1 4.29Å; Y887-F899 AromaticContact CE2-CD1 3.46Å; Y887-F899 HydrophobicContact CE2-CD1 3.46Å; Y887-F899 VanDerWaalsContact CE2-CD1 3.46Å; Y887-F899 AromaticContact CE2-CE1 3.67Å; Y887-F899 HydrophobicContact CE2-CE1 3.67Å; Y887-F899 HydrophobicContact CE2-CG 4.07Å; Y887-F899 HydrophobicContact CE2-CZ 4.43Å; Y887-F899 HydrophobicContact CG-CD1 4.01Å; Y887-F899 HydrophobicContact CG-CE1 4.16Å; Y887-F899 AromaticContact CZ-CD1 3.82Å; K897-F899 HydrophobicContact CD-CE2 4.17Å; K897-F899 HydrophobicContact CD-CZ 3.86Å; K897-F899 HydrophobicContact CG-CE2 4.39Å; K897-F899 HydrophobicContact CG-CZ 4.32Å; F899-R906 PolarHBondContact O-NH2 2.88Å
900	F	88.8	Confident	87.9	Confident	1 Å²	1	44.4 Å²	44.4	0%	0.004	21%	0.212	C	C	.	.			trans	-110.5	38.5	-173.3	-68.5	-99.4	0	0	0	111.3	V891 D903 R904 R906 V913 V915 Q922	V891-F900 HydrophobicContact CB-CE2 4.14Å; V891-F900 HydrophobicContact CG1-CE2 4.02Å; V891-F900 HydrophobicContact CG2-CE2 4.34Å; F900-D903 CarbonylContact C-O 3.55Å; F900-D903 WeakPolarHBondContact CA-O 3.33Å; F900-D903 WeakPolarHBondContact CB-O 3.46Å; F900-D903 VanDerWaalsContact O-O 3.1Å; F900-R904 PolarHBondContact O-NH1 2.83Å; F900-R906 HydrophobicContact CD1-CG 4.37Å; F900-R906 HydrophobicContact CE1-CB 3.88Å; F900-R906 HydrophobicContact CE1-CG 3.76Å; F900-R906 HydrophobicContact CZ-CB 4.34Å; F900-R906 HydrophobicContact CZ-CG 4.39Å; F900-V913 HydrophobicContact CE1-CB 4.1Å; F900-V913 HydrophobicContact CE1-CG1 3.96Å; F900-V913 WeakPolarHBondContact CE1-O 3.23Å; F900-V913 HydrophobicContact CE2-CG1 3.91Å; F900-V913 HydrophobicContact CZ-CB 3.68Å; F900-V913 HydrophobicContact CZ-CG1 3.35Å; F900-V915 HydrophobicContact CB-CB 4.06Å; F900-V915 HydrophobicContact CB-CG2 3.8Å; F900-V915 HydrophobicContact CD1-CG2 4.34Å; F900-V915 HydrophobicContact CD2-CG2 4.15Å; F900-V915 HydrophobicContact CG-CB 4.48Å; F900-V915 HydrophobicContact CG-CG2 3.85Å; F900-Q922 HydrophobicContact CB-CG 4.49Å
901	D	78.5	Confident	87.9	Confident	45 Å²	45	43.8 Å²	43.8	24%	0.241	21%	0.209	C	C	.	.	S	Bend	trans	-88.4	-36.3	-179	64.8	-23.5	0	0	0	113.1	R886 Y887 R904	R886-D901 IonicContact NH2-OD2 2.6Å; R886-D901 PolarHBondContact NH2-OD2 3.26Å; Y887-D901 HydrophobicContact CE1-CB 4.17Å; Y887-D901 VanDerWaalsContact OH-CG 3.3Å; Y887-D901 PolarHBondContact OH-OD2 2.87Å; D901-R904 PolarHBondContact O-NH1 2.88Å; D901-R904 PolarHBondContact O-NH2 2.77Å
902	M	70.2	Confident	87.9	Confident	91 Å²	91	44 Å²	44	45%	0.448	21%	0.211	S	C	.	.	S	Bend	trans	-83.8	-35.5	175.7	-66.2	-60.8	-132.1	0	0	112.4	R459	R459-M902 PolarHBondContact NH2-SD 2.63Å
903	D	80	Confident	88	Confident	12 Å²	12	43.2 Å²	43.2	6%	0.064	21%	0.206	C	C	.	.			trans	-139	140	-175.9	61.4	-75.3	0	0	0	109.3	F453 F900 R906	F453-D903 HydrophobicContact CE1-CB 3.58Å; F453-D903 WeakPolarHBondContact CE1-OD2 3.03Å; F453-D903 HydrophobicContact CZ-CB 3.69Å; F453-D903 WeakPolarHBondContact CZ-OD2 3.45Å; F900-D903 CarbonylContact C-O 3.55Å; F900-D903 WeakPolarHBondContact CA-O 3.33Å; F900-D903 WeakPolarHBondContact CB-O 3.46Å; F900-D903 VanDerWaalsContact O-O 3.1Å; D903-R906 IonicContact OD1-CZ 3.51Å; D903-R906 IonicContact OD1-NE 3.18Å; D903-R906 PolarHBondContact OD1-NE 3.37Å; D903-R906 IonicContact OD1-NH2 2.87Å; D903-R906 PolarHBondContact OD1-NH2 2.88Å; D903-R906 WeakPolarHBondContact OD2-CD 3.36Å; D903-R906 WeakPolarHBondContact OD2-CG 3.38Å; D903-R906 IonicContact OD2-CZ 3.31Å; D903-R906 IonicContact OD2-NE 3.39Å; D903-R906 PolarHBondContact OD2-NE 3.15Å; D903-R906 IonicContact OD2-NH2 3.49Å
904	R	87.7	Confident	87.9	Confident	27 Å²	27	43.5 Å²	43.5	10%	0.102	21%	0.207	C	C	.	.	S	Bend	trans	-98.2	-7.6	-172	-69	-66.1	178.3	-74.4	-5.6	113.2	F900 D901 Y914 V915 H917 M920	F900-R904 PolarHBondContact O-NH1 2.83Å; D901-R904 PolarHBondContact O-NH1 2.88Å; D901-R904 PolarHBondContact O-NH2 2.77Å; R904-Y914 WeakPolarHBondContact O-CA 3.31Å; R904-Y914 WeakPolarHBondContact O-CD2 3.12Å; R904-V915 WeakPolarHBondContact CB-O 3.27Å; R904-V915 WeakPolarHBondContact CD-O 3.18Å; R904-V915 PolarHBondContact O-N 3.27Å; R904-H917 HydrophobicContact CG-CB 4.43Å; R904-H917 PolarHBondContact NE-O 2.76Å; R904-M920 PolarHBondContact NH2-SD 3.26Å
905	R	90.5	Very high	88	Confident	15 Å²	15	38.8 Å²	38.8	6%	0.057	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	126.9	-173.1	-69.6	177.4	-179.4	91.2	-6	110.1	L457 P646 E651 L912 V913 Y914	L457-R905 HydrophobicContact CD1-CB 4.42Å; P646-R905 PolarHBondContact O-NH2 2.67Å; P646-R905 VanDerWaalsContact O-NH2 3.07Å; E651-R905 IonicContact OE2-CZ 3.65Å; E651-R905 IonicContact OE2-NH1 2.63Å; E651-R905 IonicContact OE2-NH2 3.96Å; E651-R905 PolarHBondContact OE2-NH2 3.49Å; R905-L912 HydrophobicContact CB-CD1 4.19Å; R905-V913 WeakPolarHBondContact CA-O 2.98Å; R905-Y914 HydrophobicContact CG-CD2 3.45Å; R905-Y914 VanDerWaalsContact CG-CD2 3.45Å; R905-Y914 HydrophobicContact CG-CE2 4.26Å; R905-Y914 HydrophobicContact CG-CG 4.16Å
906	R	91.2	Very high	88.3	Confident	31 Å²	31	37.2 Å²	37.2	12%	0.117	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	132	173.4	-65.7	-170.6	-174.3	-159.3	1.6	111.5	Y451 F453 F899 F900 D903 F908 L912 V913	Y451-R906 HydrophobicContact CD2-CG 4.47Å; Y451-R906 HydrophobicContact CE2-CB 3.77Å; Y451-R906 HydrophobicContact CE2-CG 3.98Å; Y451-R906 WeakPolarHBondContact OH-CA 3.34Å; F453-R906 HydrophobicContact CE1-CG 4.41Å; F899-R906 PolarHBondContact O-NH2 2.88Å; F900-R906 HydrophobicContact CD1-CG 4.37Å; F900-R906 HydrophobicContact CE1-CB 3.88Å; F900-R906 HydrophobicContact CE1-CG 3.76Å; F900-R906 HydrophobicContact CZ-CB 4.34Å; F900-R906 HydrophobicContact CZ-CG 4.39Å; D903-R906 IonicContact OD1-CZ 3.51Å; D903-R906 IonicContact OD1-NE 3.18Å; D903-R906 PolarHBondContact OD1-NE 3.37Å; D903-R906 IonicContact OD1-NH2 2.87Å; D903-R906 PolarHBondContact OD1-NH2 2.88Å; D903-R906 WeakPolarHBondContact OD2-CD 3.36Å; D903-R906 WeakPolarHBondContact OD2-CG 3.38Å; D903-R906 IonicContact OD2-CZ 3.31Å; D903-R906 IonicContact OD2-NE 3.39Å; D903-R906 PolarHBondContact OD2-NE 3.15Å; D903-R906 IonicContact OD2-NH2 3.49Å; R906-F908 HydrophobicContact CB-CD2 4.38Å; R906-F908 HydrophobicContact CB-CE2 3.52Å; R906-F908 HydrophobicContact CB-CZ 3.74Å; R906-L912 WeakPolarHBondContact O-CD1 3.45Å; R906-V913 PolarHBondContact N-O 2.65Å; R906-V913 PolarHBondContact O-N 3.34Å
907	F	90.5	Very high	88.3	Confident	21 Å²	21	35.8 Å²	35.8	9%	0.092	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	128.2	175.2	-63	-89.6	0	0	0	109.7	G431 Y451 L457 W717 L912	G431-F907 WeakPolarHBondContact CA-O 3.45Å; Y451-F907 PolarHBondContact OH-N 3.07Å; Y451-F907 PolarHBondContact OH-O 2.92Å; L457-F907 HydrophobicContact CD1-CD2 4.42Å; L457-F907 HydrophobicContact CD1-CE2 3.67Å; W717-F907 HydrophobicContact CB-CD1 4.44Å; W717-F907 HydrophobicContact CB-CE1 3.67Å; W717-F907 HydrophobicContact CB-CE2 3.97Å; W717-F907 HydrophobicContact CB-CZ 3.43Å; W717-F907 VanDerWaalsContact CB-CZ 3.43Å; W717-F907 AromaticContact CD1-CE2 3.88Å; W717-F907 AromaticContact CD1-CZ 3.44Å; W717-F907 VanDerWaalsContact CD1-CZ 3.44Å; W717-F907 AromaticContact CD2-CE1 3.93Å; W717-F907 HydrophobicContact CD2-CE1 3.93Å; W717-F907 AromaticContact CD2-CZ 3.57Å; W717-F907 HydrophobicContact CD2-CZ 3.57Å; W717-F907 HydrophobicContact CE3-CE1 4.12Å; W717-F907 HydrophobicContact CE3-CZ 4.22Å; W717-F907 AromaticContact CG-CE1 3.73Å; W717-F907 HydrophobicContact CG-CE1 3.73Å; W717-F907 AromaticContact CG-CE2 3.89Å; W717-F907 HydrophobicContact CG-CE2 3.89Å; W717-F907 AromaticContact CG-CZ 3.15Å; W717-F907 HydrophobicContact CG-CZ 3.15Å; W717-F907 AromaticContact NE1-CZ 3.98Å; F907-L912 HydrophobicContact CD1-CB 4.13Å; F907-L912 HydrophobicContact CD1-CD1 4.04Å; F907-L912 HydrophobicContact CD2-CD1 4.32Å; F907-L912 HydrophobicContact CE1-CB 4.06Å; F907-L912 HydrophobicContact CE1-CD1 3.76Å; F907-L912 HydrophobicContact CE1-CD2 3.86Å; F907-L912 HydrophobicContact CE1-CG 4.11Å; F907-L912 HydrophobicContact CE2-CD1 4.02Å; F907-L912 HydrophobicContact CG-CD1 4.3Å; F907-L912 HydrophobicContact CZ-CD1 3.71Å; F907-L912 HydrophobicContact CZ-CD2 4.04Å; F907-L912 HydrophobicContact CZ-CG 4.4Å
908	F	91.9	Very high	88.3	Confident	13 Å²	13	37.5 Å²	37.5	6%	0.057	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	-169.6	173.8	-56.1	-87.6	0	0	0	109.1	P432 V893 Y898 R906 R910 V911 V913	P432-F908 HydrophobicContact CG-CD1 4.05Å; V893-F908 HydrophobicContact CB-CD1 4.27Å; V893-F908 HydrophobicContact CB-CE1 4.14Å; V893-F908 HydrophobicContact CB-CZ 4.26Å; V893-F908 HydrophobicContact CG1-CB 4.18Å; V893-F908 HydrophobicContact CG1-CD1 3.77Å; V893-F908 HydrophobicContact CG1-CD2 4.19Å; V893-F908 HydrophobicContact CG1-CE1 4.15Å; V893-F908 HydrophobicContact CG1-CG 3.79Å; V893-F908 HydrophobicContact CG2-CD2 4.19Å; V893-F908 HydrophobicContact CG2-CE1 4.26Å; V893-F908 HydrophobicContact CG2-CE2 3.83Å; V893-F908 HydrophobicContact CG2-CZ 3.86Å; Y898-F908 HydrophobicContact CD1-CZ 4.39Å; Y898-F908 HydrophobicContact CD2-CE1 4.1Å; Y898-F908 AromaticContact CD2-CZ 3.89Å; Y898-F908 HydrophobicContact CD2-CZ 3.89Å; Y898-F908 HydrophobicContact CE1-CE1 4.17Å; Y898-F908 HydrophobicContact CE1-CZ 4.36Å; Y898-F908 AromaticContact CE2-CE1 3.6Å; Y898-F908 HydrophobicContact CE2-CE1 3.6Å; Y898-F908 AromaticContact CE2-CZ 3.88Å; Y898-F908 HydrophobicContact CE2-CZ 3.88Å; Y898-F908 HydrophobicContact CG-CZ 4.13Å; Y898-F908 AromaticContact CZ-CE1 3.6Å; R906-F908 HydrophobicContact CB-CD2 4.38Å; R906-F908 HydrophobicContact CB-CE2 3.52Å; R906-F908 HydrophobicContact CB-CZ 3.74Å; F908-R910 PolarHBondContact O-N 2.84Å; F908-V911 HydrophobicContact CB-CG1 3.76Å; F908-V911 PolarHBondContact N-O 2.59Å; F908-V913 HydrophobicContact CD2-CG2 4.1Å; F908-V913 HydrophobicContact CE2-CB 4.21Å; F908-V913 HydrophobicContact CE2-CG2 3.96Å
909	K	90.6	Very high	88.3	Confident	112 Å²	112	36.9 Å²	36.9	49%	0.487	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	103.9	179.9	-170.4	-171.4	177.6	-151.2	0	110.1	D870 S871 S872 V911	D870-K909 WeakPolarHBondContact O-CD 3.32Å; D870-K909 WeakPolarHBondContact O-CE 3.46Å; D870-K909 PolarHBondContact O-NZ 3.37Å; D870-K909 WeakPolarHBondContact OD2-CE 3.36Å; D870-K909 IonicContact OD2-NZ 2.77Å; D870-K909 PolarHBondContact OD2-NZ 3.12Å; S871-K909 CarbonylContact C-O 3.46Å; S871-K909 WeakPolarHBondContact CA-O 3.49Å; S871-K909 WeakPolarHBondContact CB-O 3.38Å; S872-K909 PolarHBondContact N-O 3.39Å; S872-K909 WeakPolarHBondContact OG-CB 3.46Å; K909-V911 PolarHBondContact O-N 2.73Å
910	R	89.2	Confident	88.3	Confident	121 Å²	121	40.9 Å²	40.9	46%	0.457	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	23.1	177.4	-61.3	179.7	170.4	176	-2	115	D870 F908 N930	D870-R910 VanDerWaalsContact OD1-CD 3.29Å; D870-R910 WeakPolarHBondContact OD1-CD 3.3Å; D870-R910 IonicContact OD1-CZ 3.79Å; D870-R910 IonicContact OD1-NE 3.53Å; D870-R910 IonicContact OD1-NH1 3.34Å; D870-R910 PolarHBondContact OD1-NH1 3.12Å; D870-R910 IonicContact OD2-CZ 3.55Å; D870-R910 IonicContact OD2-NH1 2.96Å; D870-R910 PolarHBondContact OD2-NH1 3.49Å; F908-R910 PolarHBondContact O-N 2.84Å; R910-N930 PolarHBondContact O-N 2.87Å
911	V	93.8	Very high	88.4	Confident	3 Å²	3	43 Å²	43	2%	0.018	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	138.1	177.2	64.2	0	0	0	0	110.8	V874 F908 K909 I927 Q928 F929	V874-V911 HydrophobicContact CG2-CG1 3.97Å; V874-V911 HydrophobicContact CG2-CG2 3.91Å; F908-V911 HydrophobicContact CB-CG1 3.76Å; F908-V911 PolarHBondContact N-O 2.59Å; K909-V911 PolarHBondContact O-N 2.73Å; V911-I927 HydrophobicContact CG2-CG2 3.61Å; V911-Q928 CarbonylContact C-O 3.52Å; V911-Q928 WeakPolarHBondContact CA-O 3.23Å; V911-F929 HydrophobicContact CB-CD1 3.67Å; V911-F929 HydrophobicContact CB-CE1 3.63Å; V911-F929 HydrophobicContact CB-CZ 4.49Å; V911-F929 HydrophobicContact CG2-CD1 3.65Å; V911-F929 HydrophobicContact CG2-CE1 3.38Å; V911-F929 HydrophobicContact CG2-CE2 4.36Å; V911-F929 HydrophobicContact CG2-CG 4.26Å; V911-F929 HydrophobicContact CG2-CZ 3.77Å
912	L	93.8	Very high	89.1	Confident	6 Å²	6	41 Å²	41	3%	0.031	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	129.5	170.3	166.4	60.3	0	0	0	108.4	T645 R905 R906 F907 Q928	T645-L912 HydrophobicContact CG2-CD2 3.98Å; R905-L912 HydrophobicContact CB-CD1 4.19Å; R906-L912 WeakPolarHBondContact O-CD1 3.45Å; F907-L912 HydrophobicContact CD1-CB 4.13Å; F907-L912 HydrophobicContact CD1-CD1 4.04Å; F907-L912 HydrophobicContact CD2-CD1 4.32Å; F907-L912 HydrophobicContact CE1-CB 4.06Å; F907-L912 HydrophobicContact CE1-CD1 3.76Å; F907-L912 HydrophobicContact CE1-CD2 3.86Å; F907-L912 HydrophobicContact CE1-CG 4.11Å; F907-L912 HydrophobicContact CE2-CD1 4.02Å; F907-L912 HydrophobicContact CG-CD1 4.3Å; F907-L912 HydrophobicContact CZ-CD1 3.71Å; F907-L912 HydrophobicContact CZ-CD2 4.04Å; F907-L912 HydrophobicContact CZ-CG 4.4Å; L912-Q928 HydrophobicContact CB-CB 4.34Å; L912-Q928 VanDerWaalsContact CD2-OE1 3.23Å; L912-Q928 PolarHBondContact N-O 2.87Å; L912-Q928 PolarHBondContact O-N 3.11Å
913	V	95.9	Very high	90.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	127	168.2	-174.9	0	0	0	0	108.9	V874 V891 V893 F900 R905 R906 F908 V925 Y926	V874-V913 HydrophobicContact CG1-CG2 4Å; V874-V913 HydrophobicContact CG2-CG2 4.05Å; V891-V913 HydrophobicContact CG1-CG1 4.2Å; V893-V913 HydrophobicContact CG2-CG2 4.37Å; F900-V913 HydrophobicContact CE1-CB 4.1Å; F900-V913 HydrophobicContact CE1-CG1 3.96Å; F900-V913 WeakPolarHBondContact CE1-O 3.23Å; F900-V913 HydrophobicContact CE2-CG1 3.91Å; F900-V913 HydrophobicContact CZ-CB 3.68Å; F900-V913 HydrophobicContact CZ-CG1 3.35Å; R905-V913 WeakPolarHBondContact CA-O 2.98Å; R906-V913 PolarHBondContact N-O 2.65Å; R906-V913 PolarHBondContact O-N 3.34Å; F908-V913 HydrophobicContact CD2-CG2 4.1Å; F908-V913 HydrophobicContact CE2-CB 4.21Å; F908-V913 HydrophobicContact CE2-CG2 3.96Å; V913-V925 HydrophobicContact CG1-CG1 3.85Å; V913-Y926 WeakPolarHBondContact CA-O 3.46Å
914	Y	92.3	Very high	91.1	Very high	8 Å²	8	39 Å²	39	3%	0.031	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	136.3	-173.6	160.9	-119.5	0	0	0	111.2	P646 E651 R904 R905 P916 Y926	P646-Y914 HydrophobicContact CG-CE1 4.28Å; E651-Y914 VanDerWaalsContact CD-OH 3.27Å; E651-Y914 PolarHBondContact OE1-OH 2.9Å; R904-Y914 WeakPolarHBondContact O-CA 3.31Å; R904-Y914 WeakPolarHBondContact O-CD2 3.12Å; R905-Y914 HydrophobicContact CG-CD2 3.45Å; R905-Y914 VanDerWaalsContact CG-CD2 3.45Å; R905-Y914 HydrophobicContact CG-CE2 4.26Å; R905-Y914 HydrophobicContact CG-CG 4.16Å; Y914-P916 HydrophobicContact CE1-CG 4.13Å; Y914-P916 WeakPolarHBondContact OH-CA 3.31Å; Y914-Y926 AromaticContact CD1-CD2 3.81Å; Y914-Y926 HydrophobicContact CD1-CD2 3.81Å; Y914-Y926 AromaticContact CD1-CG 3.96Å; Y914-Y926 HydrophobicContact CD1-CG 3.96Å; Y914-Y926 HydrophobicContact CE1-CD2 4.01Å; Y914-Y926 HydrophobicContact CE1-CE2 4.4Å; Y914-Y926 HydrophobicContact CE1-CG 4.44Å; Y914-Y926 PolarHBondContact N-O 3.36Å; Y914-Y926 PolarHBondContact O-N 2.81Å
915	V	93.6	Very high	91.5	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.177	C	C	.	.			trans	-121.5	124.2	171.2	175.9	0	0	0	0	107.6	F900 R904 V919 Q922 V925	F900-V915 HydrophobicContact CB-CB 4.06Å; F900-V915 HydrophobicContact CB-CG2 3.8Å; F900-V915 HydrophobicContact CD1-CG2 4.34Å; F900-V915 HydrophobicContact CD2-CG2 4.15Å; F900-V915 HydrophobicContact CG-CB 4.48Å; F900-V915 HydrophobicContact CG-CG2 3.85Å; R904-V915 WeakPolarHBondContact CB-O 3.27Å; R904-V915 WeakPolarHBondContact CD-O 3.18Å; R904-V915 PolarHBondContact O-N 3.27Å; V915-V919 HydrophobicContact CG1-CB 4.33Å; V915-Q922 HydrophobicContact CG1-CG 4.45Å; V915-V925 HydrophobicContact CG2-CG2 4.18Å
916	P	90.5	Very high	91.9	Very high	7 Å²	7	38.3 Å²	38.3	5%	0.045	18%	0.179	C	C	.	.			trans	-56.4	145.2	-179.9	-24.4	33.3	0	0	0	112.9	Y914 L918 V919 E924 Y926	Y914-P916 HydrophobicContact CE1-CG 4.13Å; Y914-P916 WeakPolarHBondContact OH-CA 3.31Å; P916-L918 VanDerWaalsContact C-N 3.34Å; P916-L918 PolarHBondContact O-N 2.87Å; P916-V919 HydrophobicContact CB-CB 4.45Å; P916-V919 HydrophobicContact CB-CG2 3.96Å; P916-V919 HydrophobicContact CG-CG2 4.28Å; P916-V919 PolarHBondContact O-N 3.44Å; P916-E924 HydrophobicContact CG-CG 4.45Å; P916-Y926 HydrophobicContact CG-CD2 4.22Å; P916-Y926 HydrophobicContact CG-CE2 3.77Å
917	H	84.2	Confident	92.2	Very high	97 Å²	97	36.9 Å²	36.9	45%	0.449	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-40.3	-167.1	-169.2	-83.8	0	0	0	113.2	R904 V919	R904-H917 HydrophobicContact CG-CB 4.43Å; R904-H917 PolarHBondContact NE-O 2.76Å; H917-V919 VanDerWaalsContact C-N 3.28Å; H917-V919 PolarHBondContact O-N 2.91Å
918	L	85.2	Confident	92.4	Very high	107 Å²	107	36 Å²	36	56%	0.56	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-13.1	177.7	-66.6	173.4	0	0	0	113.9	M653 P916 M920	M653-L918 HydrophobicContact CB-CD1 4.47Å; M653-L918 HydrophobicContact CE-CD1 4.22Å; M653-L918 WeakPolarHBondContact O-CD1 3.18Å; M653-L918 WeakPolarHBondContact O-CG 3.37Å; M653-L918 PolarHBondContact O-N 3.36Å; P916-L918 VanDerWaalsContact C-N 3.34Å; P916-L918 PolarHBondContact O-N 2.87Å; L918-M920 VanDerWaalsContact C-N 3.31Å; L918-M920 PolarHBondContact O-N 2.95Å
919	V	89	Confident	92.5	Very high	18 Å²	18	35.4 Å²	35.4	11%	0.109	17%	0.167	C	C	.	.			trans	-87.3	72	178.7	-174.5	0	0	0	0	109.9	V915 P916 H917 N921 Q922 S923 E924	V915-V919 HydrophobicContact CG1-CB 4.33Å; P916-V919 HydrophobicContact CB-CB 4.45Å; P916-V919 HydrophobicContact CB-CG2 3.96Å; P916-V919 HydrophobicContact CG-CG2 4.28Å; P916-V919 PolarHBondContact O-N 3.44Å; H917-V919 VanDerWaalsContact C-N 3.28Å; H917-V919 PolarHBondContact O-N 2.91Å; V919-N921 WeakPolarHBondContact CG1-OD1 3.36Å; V919-N921 PolarHBondContact O-N 3.19Å; V919-Q922 PolarHBondContact O-N 2.88Å; V919-S923 WeakPolarHBondContact CG1-OG 3.24Å; V919-E924 HydrophobicContact CG1-CB 4.09Å; V919-E924 HydrophobicContact CG2-CB 4.37Å
920	M	86.3	Confident	92.4	Very high	123 Å²	123	33.9 Å²	33.9	61%	0.606	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-22.4	-174.1	-61.7	-61.1	-69.7	0	0	114.2	R904 L918	R904-M920 PolarHBondContact NH2-SD 3.26Å; L918-M920 VanDerWaalsContact C-N 3.31Å; L918-M920 PolarHBondContact O-N 2.95Å
921	N	91.3	Very high	92.3	Very high	47 Å²	47	29 Å²	29	25%	0.251	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	7.3	-175.2	66.9	-2.8	0	0	0	113.7	R886 Y887 R888 V919 S923	R886-N921 WeakPolarHBondContact O-CA 3.19Å; Y887-N921 CarbonylContact C-O 3.34Å; Y887-N921 WeakPolarHBondContact CA-O 3.27Å; R888-N921 HydrophobicContact CG-CB 4.2Å; R888-N921 PolarHBondContact N-O 3.42Å; V919-N921 WeakPolarHBondContact CG1-OD1 3.36Å; V919-N921 PolarHBondContact O-N 3.19Å; N921-S923 VanDerWaalsContact C-N 3.27Å; N921-S923 PolarHBondContact O-N 3.23Å; N921-S923 VanDerWaalsContact OD1-CB 3.29Å; N921-S923 WeakPolarHBondContact OD1-CB 3.42Å; N921-S923 PolarHBondContact OD1-N 3.11Å; N921-S923 VanDerWaalsContact OD1-N 3.13Å; N921-S923 PolarHBondContact OD1-OG 2.77Å
922	Q	93.3	Very high	92.1	Very high	2 Å²	2	29 Å²	29	1%	0.009	15%	0.149	C	C	.	.			trans	48.6	47.9	-174.6	-62.7	-174.6	-108.4	0	0	112.4	Y887 T889 F900 V915 V919	Y887-Q922 HydrophobicContact CD1-CB 4.4Å; Y887-Q922 HydrophobicContact CD1-CG 3.98Å; T889-Q922 PolarHBondContact N-O 2.86Å; T889-Q922 PolarHBondContact OG1-O 2.93Å; F900-Q922 HydrophobicContact CB-CG 4.49Å; V915-Q922 HydrophobicContact CG1-CG 4.45Å; V919-Q922 PolarHBondContact O-N 2.88Å
923	S	95.7	Very high	92	Very high	21 Å²	21	28.7 Å²	28.7	15%	0.147	15%	0.148	C	C	.	.			trans	-90	-11.5	172.6	53.2	0	0	0	0	112.9	V919 N921 V938 E939	V919-S923 WeakPolarHBondContact CG1-OG 3.24Å; N921-S923 VanDerWaalsContact C-N 3.27Å; N921-S923 PolarHBondContact O-N 3.23Å; N921-S923 VanDerWaalsContact OD1-CB 3.29Å; N921-S923 WeakPolarHBondContact OD1-CB 3.42Å; N921-S923 PolarHBondContact OD1-N 3.11Å; N921-S923 VanDerWaalsContact OD1-N 3.13Å; N921-S923 PolarHBondContact OD1-OG 2.77Å; S923-V938 CarbonylContact O-C 3.56Å; S923-V938 VanDerWaalsContact O-CA 3.27Å; S923-V938 WeakPolarHBondContact O-CA 3.4Å; S923-E939 PolarHBondContact O-N 3.44Å
924	E	95.7	Very high	91.9	Very high	39 Å²	39	28.7 Å²	28.7	18%	0.182	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	121.1	179.8	-177.8	169	179.7	0	0	109.2	P916 V919 Y926 K936 V937 V938	P916-E924 HydrophobicContact CG-CG 4.45Å; V919-E924 HydrophobicContact CG1-CB 4.09Å; V919-E924 HydrophobicContact CG2-CB 4.37Å; E924-Y926 HydrophobicContact CG-CD2 4.36Å; E924-Y926 HydrophobicContact CG-CE2 3.66Å; E924-Y926 VanDerWaalsContact OE1-CE2 3.3Å; E924-Y926 WeakPolarHBondContact OE1-CE2 3.49Å; E924-Y926 VanDerWaalsContact OE1-CZ 3.29Å; E924-Y926 PolarHBondContact OE1-OH 2.92Å; E924-K936 WeakPolarHBondContact OE1-CE 3.32Å; E924-K936 IonicContact OE1-NZ 3.64Å; E924-K936 PolarHBondContact OE1-NZ 3.14Å; E924-V937 WeakPolarHBondContact CA-O 3.01Å; E924-V938 HydrophobicContact CG-CG2 4.13Å
925	V	97.7	Very high	92.2	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	129.6	-175.1	-175.7	0	0	0	0	109.3	V876 V891 V913 V915 K936 V937	V876-V925 HydrophobicContact CG1-CG2 4.46Å; V876-V925 HydrophobicContact CG2-CG1 4.21Å; V891-V925 HydrophobicContact CG2-CG1 4.22Å; V891-V925 HydrophobicContact CG2-CG2 4.07Å; V913-V925 HydrophobicContact CG1-CG1 3.85Å; V915-V925 HydrophobicContact CG2-CG2 4.18Å; V925-K936 WeakPolarHBondContact O-CA 3.5Å; V925-V937 PolarHBondContact N-O 2.62Å; V925-V937 PolarHBondContact O-N 3.26Å
926	Y	97.3	Very high	92.4	Very high	29 Å²	29	29.8 Å²	29.8	11%	0.114	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	133.1	174.3	-68.8	-99.8	0	0	0	109.9	F641 V913 Y914 P916 E924 K936	F641-Y926 HydrophobicContact CB-CD1 4.04Å; F641-Y926 HydrophobicContact CB-CE1 3.95Å; F641-Y926 HydrophobicContact CD1-CE1 4.43Å; F641-Y926 AromaticContact CD2-CD1 3.91Å; F641-Y926 HydrophobicContact CD2-CD1 3.91Å; F641-Y926 HydrophobicContact CD2-CE1 4.21Å; F641-Y926 HydrophobicContact CG-CD1 4.06Å; F641-Y926 AromaticContact CG-CE1 3.95Å; F641-Y926 HydrophobicContact CG-CE1 3.95Å; V913-Y926 WeakPolarHBondContact CA-O 3.46Å; Y914-Y926 AromaticContact CD1-CD2 3.81Å; Y914-Y926 HydrophobicContact CD1-CD2 3.81Å; Y914-Y926 AromaticContact CD1-CG 3.96Å; Y914-Y926 HydrophobicContact CD1-CG 3.96Å; Y914-Y926 HydrophobicContact CE1-CD2 4.01Å; Y914-Y926 HydrophobicContact CE1-CE2 4.4Å; Y914-Y926 HydrophobicContact CE1-CG 4.44Å; Y914-Y926 PolarHBondContact N-O 3.36Å; Y914-Y926 PolarHBondContact O-N 2.81Å; P916-Y926 HydrophobicContact CG-CD2 4.22Å; P916-Y926 HydrophobicContact CG-CE2 3.77Å; E924-Y926 HydrophobicContact CG-CD2 4.36Å; E924-Y926 HydrophobicContact CG-CE2 3.66Å; E924-Y926 VanDerWaalsContact OE1-CE2 3.3Å; E924-Y926 WeakPolarHBondContact OE1-CE2 3.49Å; E924-Y926 VanDerWaalsContact OE1-CZ 3.29Å; E924-Y926 PolarHBondContact OE1-OH 2.92Å; Y926-K936 HydrophobicContact CD1-CB 4.18Å; Y926-K936 HydrophobicContact CD1-CG 4.39Å; Y926-K936 HydrophobicContact CE1-CB 4.09Å; Y926-K936 HydrophobicContact CE1-CD 3.78Å; Y926-K936 HydrophobicContact CE1-CG 3.96Å; Y926-K936 WeakPolarHBondContact OH-CE 3.33Å; Y926-K936 PolarHBondContact OH-NZ 3.17Å
927	I	98.1	Very high	92.7	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	112.1	176.4	-49.9	170.1	0	0	0	106.7	V866 V874 V876 V911 F929 G934 V935	V866-I927 HydrophobicContact CG2-CD1 3.97Å; V874-I927 HydrophobicContact CB-CD1 4.16Å; V874-I927 HydrophobicContact CB-CG2 3.98Å; V874-I927 HydrophobicContact CG1-CD1 3.65Å; V874-I927 HydrophobicContact CG1-CG1 3.94Å; V874-I927 HydrophobicContact CG1-CG2 4.16Å; V874-I927 HydrophobicContact CG2-CG2 3.99Å; V876-I927 HydrophobicContact CG2-CD1 3.99Å; V911-I927 HydrophobicContact CG2-CG2 3.61Å; I927-F929 HydrophobicContact CB-CE2 4.47Å; I927-F929 HydrophobicContact CG2-CD2 4.5Å; I927-F929 HydrophobicContact CG2-CE1 4.45Å; I927-F929 HydrophobicContact CG2-CE2 3.57Å; I927-F929 HydrophobicContact CG2-CZ 3.53Å; I927-G934 CarbonylContact O-C 3.47Å; I927-G934 VanDerWaalsContact O-CA 3.3Å; I927-G934 WeakPolarHBondContact O-CA 3.44Å; I927-V935 HydrophobicContact CB-CB 4.31Å; I927-V935 HydrophobicContact CD1-CB 4.48Å; I927-V935 PolarHBondContact N-O 3.44Å; I927-V935 PolarHBondContact O-N 2.9Å
928	Q	95.1	Very high	93.4	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.009	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	128	-169.3	-59	174.8	-43.6	0	0	109.7	F641 F644 T645 T671 V911 L912	F641-Q928 WeakPolarHBondContact O-CG 3.41Å; F641-Q928 PolarHBondContact O-NE2 2.97Å; F644-Q928 PolarHBondContact O-NE2 3.24Å; T645-Q928 PolarHBondContact OG1-NE2 2.86Å; T645-Q928 PolarHBondContact OG1-OE1 2.81Å; T671-Q928 HydrophobicContact CG2-CB 4.06Å; V911-Q928 CarbonylContact C-O 3.52Å; V911-Q928 WeakPolarHBondContact CA-O 3.23Å; L912-Q928 HydrophobicContact CB-CB 4.34Å; L912-Q928 VanDerWaalsContact CD2-OE1 3.23Å; L912-Q928 PolarHBondContact N-O 2.87Å; L912-Q928 PolarHBondContact O-N 3.11Å
929	F	93.9	Very high	94	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	156	-176	-60.2	-89.5	0	0	0	112	F830 V866 D868 S871 V911 I927 S931 G932 T933	F830-F929 HydrophobicContact CE2-CD2 4.33Å; F830-F929 HydrophobicContact CE2-CE2 4.23Å; V866-F929 HydrophobicContact CB-CE2 4.27Å; V866-F929 HydrophobicContact CB-CZ 3.97Å; V866-F929 HydrophobicContact CG1-CE2 3.43Å; V866-F929 VanDerWaalsContact CG1-CE2 3.43Å; V866-F929 HydrophobicContact CG1-CZ 3.47Å; V866-F929 VanDerWaalsContact CG1-CZ 3.47Å; D868-F929 HydrophobicContact CB-CB 3.97Å; D868-F929 HydrophobicContact CB-CD1 3.46Å; D868-F929 VanDerWaalsContact CB-CD1 3.46Å; D868-F929 HydrophobicContact CB-CD2 4.2Å; D868-F929 HydrophobicContact CB-CE1 3.95Å; D868-F929 HydrophobicContact CB-CG 3.61Å; D868-F929 WeakPolarHBondContact OD2-CB 3.35Å; S871-F929 WeakPolarHBondContact OG-CE1 3.24Å; V911-F929 HydrophobicContact CB-CD1 3.67Å; V911-F929 HydrophobicContact CB-CE1 3.63Å; V911-F929 HydrophobicContact CB-CZ 4.49Å; V911-F929 HydrophobicContact CG2-CD1 3.65Å; V911-F929 HydrophobicContact CG2-CE1 3.38Å; V911-F929 HydrophobicContact CG2-CE2 4.36Å; V911-F929 HydrophobicContact CG2-CG 4.26Å; V911-F929 HydrophobicContact CG2-CZ 3.77Å; I927-F929 HydrophobicContact CB-CE2 4.47Å; I927-F929 HydrophobicContact CG2-CD2 4.5Å; I927-F929 HydrophobicContact CG2-CE1 4.45Å; I927-F929 HydrophobicContact CG2-CE2 3.57Å; I927-F929 HydrophobicContact CG2-CZ 3.53Å; F929-S931 PolarHBondContact O-N 3.12Å; F929-S931 VanDerWaalsContact O-N 3.1Å; F929-G932 PolarHBondContact O-N 3.23Å; F929-T933 WeakPolarHBondContact CD2-OG1 3.21Å; F929-T933 PolarHBondContact N-O 2.78Å
930	N	88.7	Confident	94.2	Very high	80 Å²	80	26 Å²	26	43%	0.428	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-16.6	-179.3	-68.4	14.1	0	0	0	113.9	R672 R910 G932	R672-N930 WeakPolarHBondContact CB-O 3.21Å; R672-N930 WeakPolarHBondContact CD-O 3.44Å; R910-N930 PolarHBondContact O-N 2.87Å; N930-G932 PolarHBondContact O-N 2.96Å
931	S	87.6	Confident	94.4	Very high	19 Å²	19	26.3 Å²	26.3	13%	0.133	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-18.5	172.4	64.7	0	0	0	0	113.3	D868 F929 T933 Y954	D868-S931 WeakPolarHBondContact OD2-CB 3.29Å; D868-S931 PolarHBondContact OD2-OG 2.77Å; F929-S931 PolarHBondContact O-N 3.12Å; F929-S931 VanDerWaalsContact O-N 3.1Å; S931-T933 WeakPolarHBondContact OG-CG2 3.27Å; S931-T933 PolarHBondContact OG-N 2.94Å; S931-T933 VanDerWaalsContact OG-N 3.16Å; S931-T933 PolarHBondContact OG-OG1 2.68Å; S931-T933 VanDerWaalsContact OG-OG1 3.07Å; S931-Y954 WeakPolarHBondContact CB-OH 3.43Å; S931-Y954 PolarHBondContact OG-OH 3.12Å
932	G	88.9	Confident	94.3	Very high	2 Å²	2	24.1 Å²	24.1	2%	0.021	11%	0.109	C	C	.	.	S	Bend	trans	94.8	2.4	-169.5	0	0	0	0	0	114.4	G642 R643 F929 N930	G642-G932 CarbonylContact C-O 3.58Å; G642-G932 VanDerWaalsContact CA-O 3.26Å; G642-G932 WeakPolarHBondContact CA-O 3.45Å; G642-G932 CarbonylContact O-C 3.57Å; R643-G932 PolarHBondContact N-O 3.45Å; F929-G932 PolarHBondContact O-N 3.23Å; N930-G932 PolarHBondContact O-N 2.96Å
933	T	92	Very high	94.3	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	11%	0.112	C	C	.	.			trans	-75.9	142.4	170.2	59	0	0	0	0	111.1	F830 D868 F929 S931 A949 L950 P951 Y954	F830-T933 HydrophobicContact CD2-CG2 4.29Å; F830-T933 HydrophobicContact CE2-CG2 4.26Å; F830-T933 HydrophobicContact CG-CG2 4.42Å; F830-T933 HydrophobicContact CZ-CG2 4.37Å; D868-T933 PolarHBondContact OD2-OG1 2.68Å; F929-T933 WeakPolarHBondContact CD2-OG1 3.21Å; F929-T933 PolarHBondContact N-O 2.78Å; S931-T933 WeakPolarHBondContact OG-CG2 3.27Å; S931-T933 PolarHBondContact OG-N 2.94Å; S931-T933 VanDerWaalsContact OG-N 3.16Å; S931-T933 PolarHBondContact OG-OG1 2.68Å; S931-T933 VanDerWaalsContact OG-OG1 3.07Å; T933-A949 WeakPolarHBondContact CA-O 3.38Å; T933-L950 HydrophobicContact CG2-CD2 3.73Å; T933-P951 HydrophobicContact CG2-CG 4.28Å; T933-Y954 HydrophobicContact CG2-CD1 3.82Å; T933-Y954 HydrophobicContact CG2-CE1 3.53Å; T933-Y954 HydrophobicContact CG2-CE2 4.38Å; T933-Y954 HydrophobicContact CG2-CG 4.37Å
934	G	94.4	Very high	94.4	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	146	176.8	0	0	0	0	0	112.4	I927 A949	I927-G934 CarbonylContact O-C 3.47Å; I927-G934 VanDerWaalsContact O-CA 3.3Å; I927-G934 WeakPolarHBondContact O-CA 3.44Å; G934-A949 PolarHBondContact N-O 3.07Å; G934-A949 PolarHBondContact O-N 3.42Å
935	V	97.8	Very high	94.6	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	123.5	170.1	-177.9	0	0	0	0	109.2	F830 V832 V864 V866 I927 V937 V946 T947 V948	F830-V935 HydrophobicContact CZ-CG2 4.29Å; V832-V935 HydrophobicContact CG2-CG2 4.07Å; V864-V935 HydrophobicContact CG1-CG1 4.43Å; V866-V935 HydrophobicContact CG1-CG2 3.93Å; V866-V935 HydrophobicContact CG2-CB 4.15Å; V866-V935 HydrophobicContact CG2-CG1 4.16Å; V866-V935 HydrophobicContact CG2-CG2 3.89Å; I927-V935 HydrophobicContact CB-CB 4.31Å; I927-V935 HydrophobicContact CD1-CB 4.48Å; I927-V935 PolarHBondContact N-O 3.44Å; I927-V935 PolarHBondContact O-N 2.9Å; V935-V937 HydrophobicContact CG1-CG2 4.12Å; V935-V946 HydrophobicContact CG1-CG1 3.81Å; V935-T947 CarbonylContact C-O 3.51Å; V935-T947 WeakPolarHBondContact CA-O 3.36Å; V935-V948 HydrophobicContact CG2-CG1 4.37Å; V935-V948 HydrophobicContact CG2-CG2 4.27Å
936	K	96.9	Very high	94.6	Very high	31 Å²	31	23.5 Å²	23.5	14%	0.135	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	124.1	174.7	172.2	-179.5	179.8	157.3	0	109	F641 E924 V925 Y926 V938 V946 T947	F641-K936 HydrophobicContact CD2-CB 4.44Å; F641-K936 HydrophobicContact CE1-CB 4.4Å; F641-K936 HydrophobicContact CE2-CB 3.82Å; F641-K936 HydrophobicContact CZ-CB 3.8Å; E924-K936 WeakPolarHBondContact OE1-CE 3.32Å; E924-K936 IonicContact OE1-NZ 3.64Å; E924-K936 PolarHBondContact OE1-NZ 3.14Å; V925-K936 WeakPolarHBondContact O-CA 3.5Å; Y926-K936 HydrophobicContact CD1-CB 4.18Å; Y926-K936 HydrophobicContact CD1-CG 4.39Å; Y926-K936 HydrophobicContact CE1-CB 4.09Å; Y926-K936 HydrophobicContact CE1-CD 3.78Å; Y926-K936 HydrophobicContact CE1-CG 3.96Å; Y926-K936 WeakPolarHBondContact OH-CE 3.33Å; Y926-K936 PolarHBondContact OH-NZ 3.17Å; K936-V938 HydrophobicContact CD-CG2 4.41Å; K936-V938 HydrophobicContact CG-CG2 4.11Å; K936-V946 WeakPolarHBondContact O-CA 3.26Å; K936-T947 PolarHBondContact N-O 3.23Å; K936-T947 PolarHBondContact O-N 3.15Å
937	V	98.6	Very high	94.6	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	121.8	178.5	-173.8	0	0	0	0	108.9	V864 V876 E924 V925 V935 L944 Q945	V864-V937 HydrophobicContact CB-CG2 4.31Å; V864-V937 HydrophobicContact CG1-CG2 4.39Å; V864-V937 HydrophobicContact CG2-CG1 4.21Å; V864-V937 HydrophobicContact CG2-CG2 4.11Å; V876-V937 HydrophobicContact CB-CG1 4.28Å; V876-V937 HydrophobicContact CB-CG2 4.38Å; V876-V937 HydrophobicContact CG1-CB 4.28Å; V876-V937 HydrophobicContact CG1-CG1 3.84Å; V876-V937 HydrophobicContact CG2-CG2 4.39Å; E924-V937 WeakPolarHBondContact CA-O 3.01Å; V925-V937 PolarHBondContact N-O 2.62Å; V925-V937 PolarHBondContact O-N 3.26Å; V935-V937 HydrophobicContact CG1-CG2 4.12Å; V937-L944 HydrophobicContact CG1-CB 4.26Å; V937-L944 HydrophobicContact CG1-CD1 4.14Å; V937-L944 HydrophobicContact CG1-CD2 4.19Å; V937-L944 HydrophobicContact CG1-CG 4.43Å; V937-Q945 CarbonylContact C-O 3.6Å; V937-Q945 WeakPolarHBondContact CA-O 3.34Å
938	V	97.8	Very high	94.5	Very high	16 Å²	16	22.5 Å²	22.5	10%	0.097	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	129.1	178.7	-177.8	0	0	0	0	109.4	S923 E924 K936 R940 L944 Q945	S923-V938 CarbonylContact O-C 3.56Å; S923-V938 VanDerWaalsContact O-CA 3.27Å; S923-V938 WeakPolarHBondContact O-CA 3.4Å; E924-V938 HydrophobicContact CG-CG2 4.13Å; K936-V938 HydrophobicContact CD-CG2 4.41Å; K936-V938 HydrophobicContact CG-CG2 4.11Å; V938-R940 HydrophobicContact CG1-CG 4.46Å; V938-L944 CarbonylContact O-C 3.49Å; V938-L944 WeakPolarHBondContact O-CA 3.39Å; V938-Q945 HydrophobicContact CB-CB 4.29Å; V938-Q945 PolarHBondContact N-O 3.47Å; V938-Q945 PolarHBondContact O-N 3.17Å
939	E	97	Very high	94.3	Very high	8 Å²	8	22.7 Å²	22.7	4%	0.037	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	130.8	174	-171.1	-87	173.4	0	0	110.7	R884 R888 T889 S923 R941 G942 I943 L944	R884-E939 IonicContact CZ-OE1 2.68Å; R884-E939 IonicContact NE-OE1 3.83Å; R884-E939 IonicContact NH1-OE1 3.99Å; R888-E939 HydrophobicContact CB-CB 4.16Å; R888-E939 HydrophobicContact CB-CG 4.07Å; R888-E939 WeakPolarHBondContact CB-OE2 3.28Å; R888-E939 WeakPolarHBondContact CG-OE2 3.4Å; T889-E939 HydrophobicContact CG2-CB 3.73Å; T889-E939 HydrophobicContact CG2-CG 4.28Å; S923-E939 PolarHBondContact O-N 3.44Å; E939-R941 PolarHBondContact OE1-N 2.88Å; E939-G942 VanDerWaalsContact OE1-CA 3.27Å; E939-G942 WeakPolarHBondContact OE1-CA 3.39Å; E939-G942 PolarHBondContact OE1-N 3.48Å; E939-I943 WeakPolarHBondContact CA-O 3.25Å; E939-L944 HydrophobicContact CB-CD2 3.83Å; E939-L944 HydrophobicContact CG-CD2 3.98Å
940	R	94.5	Very high	94.1	Very high	126 Å²	126	22.9 Å²	22.9	48%	0.475	10%	0.104	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	112.2	168.6	-65.1	-65.8	-164.6	175.5	9.9	108.8	V938 G942 I943 E1123	V938-R940 HydrophobicContact CG1-CG 4.46Å; R940-G942 PolarHBondContact O-N 3.3Å; R940-I943 PolarHBondContact N-O 3.01Å; R940-I943 PolarHBondContact O-N 2.6Å; R940-E1123 IonicContact NH2-OE1 3.42Å
941	R	90	Very high	94	Very high	130 Å²	130	19.3 Å²	19.3	49%	0.491	9%	0.085	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	24.5	174.8	-59.6	178.3	-173.7	-84.6	-5.1	114.6	R884 E939 F1117 D1120	R884-R941 PolarHBondContact NH1-O 2.78Å; E939-R941 PolarHBondContact OE1-N 2.88Å; R941-F1117 HydrophobicContact CB-CD1 4.39Å; R941-F1117 HydrophobicContact CB-CE1 3.64Å; R941-F1117 HydrophobicContact CB-CZ 4.44Å; R941-D1120 WeakPolarHBondContact CD-OD2 2.9Å; R941-D1120 IonicContact NE-OD2 2.87Å; R941-D1120 PolarHBondContact NE-OD2 3Å
942	G	89.4	Confident	93.5	Very high	0 Å²	0	19 Å²	19	0%	0	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	105.2	-8.7	176.7	0	0	0	0	0	115.3	S878 E939 R940	S878-G942 VanDerWaalsContact CB-O 3.27Å; S878-G942 WeakPolarHBondContact CB-O 3.21Å; S878-G942 VanDerWaalsContact OG-C 3.29Å; S878-G942 VanDerWaalsContact OG-CA 3.24Å; S878-G942 WeakPolarHBondContact OG-CA 3.45Å; S878-G942 PolarHBondContact OG-O 3.09Å; E939-G942 VanDerWaalsContact OE1-CA 3.27Å; E939-G942 WeakPolarHBondContact OE1-CA 3.39Å; E939-G942 PolarHBondContact OE1-N 3.48Å; R940-G942 PolarHBondContact O-N 3.3Å
943	I	94.1	Very high	93	Very high	16 Å²	16	21 Å²	21	8%	0.082	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	130.8	177.4	-54.4	179.2	0	0	0	107.1	V860 E939 R940 F1117	V860-I943 HydrophobicContact CB-CG1 4.07Å; V860-I943 HydrophobicContact CB-CG2 4.16Å; V860-I943 HydrophobicContact CG1-CD1 3.78Å; V860-I943 HydrophobicContact CG1-CG1 3.84Å; V860-I943 HydrophobicContact CG1-CG2 4.3Å; E939-I943 WeakPolarHBondContact CA-O 3.25Å; R940-I943 PolarHBondContact N-O 3.01Å; R940-I943 PolarHBondContact O-N 2.6Å; I943-F1117 HydrophobicContact CD1-CD1 3.65Å; I943-F1117 HydrophobicContact CD1-CE1 3.78Å; I943-F1117 HydrophobicContact CD1-CG 4.43Å; I943-F1117 HydrophobicContact CG1-CE1 4.34Å
944	L	97.9	Very high	92.5	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	128.3	172.7	-57.1	-175.1	0	0	0	110	I861 T862 V864 T889 V937 V938 E939	I861-L944 HydrophobicContact CB-CB 4.19Å; I861-L944 HydrophobicContact CG2-CB 3.94Å; I861-L944 HydrophobicContact CG2-CD1 4.47Å; I861-L944 WeakPolarHBondContact O-CB 3.5Å; I861-L944 PolarHBondContact O-N 2.78Å; T862-L944 WeakPolarHBondContact O-CD1 3.47Å; V864-L944 HydrophobicContact CG2-CD1 4.14Å; T889-L944 HydrophobicContact CG2-CD2 4.02Å; V937-L944 HydrophobicContact CG1-CB 4.26Å; V937-L944 HydrophobicContact CG1-CD1 4.14Å; V937-L944 HydrophobicContact CG1-CD2 4.19Å; V937-L944 HydrophobicContact CG1-CG 4.43Å; V938-L944 CarbonylContact O-C 3.49Å; V938-L944 WeakPolarHBondContact O-CA 3.39Å; E939-L944 HydrophobicContact CB-CD2 3.83Å; E939-L944 HydrophobicContact CG-CD2 3.98Å
945	Q	98.2	Very high	91.7	Very high	34 Å²	34	21.3 Å²	21.3	16%	0.159	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	132.3	161.8	168.1	178.9	13.4	0	0	108.4	A796 V937 V938	A796-Q945 CarbonylContact O-C 3.42Å; A796-Q945 WeakPolarHBondContact O-CA 3.48Å; V937-Q945 CarbonylContact C-O 3.6Å; V937-Q945 WeakPolarHBondContact CA-O 3.34Å; V938-Q945 HydrophobicContact CB-CB 4.29Å; V938-Q945 PolarHBondContact N-O 3.47Å; V938-Q945 PolarHBondContact O-N 3.17Å
946	V	98.5	Very high	90.1	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	117.2	-176.5	-168.4	0	0	0	0	108.8	T795 A796 L820 V834 I861 V864 V935 K936	T795-V946 CarbonylContact C-O 3.55Å; T795-V946 VanDerWaalsContact CA-O 3.24Å; T795-V946 WeakPolarHBondContact CA-O 3.47Å; T795-V946 PolarHBondContact OG1-O 2.79Å; A796-V946 PolarHBondContact N-O 3.11Å; A796-V946 PolarHBondContact O-N 3.43Å; L820-V946 HydrophobicContact CD2-CB 4.25Å; L820-V946 HydrophobicContact CD2-CG1 3.81Å; V834-V946 HydrophobicContact CG1-CG2 4.34Å; I861-V946 HydrophobicContact CD1-CG2 4Å; I861-V946 HydrophobicContact CG2-CG2 4.1Å; V864-V946 HydrophobicContact CG1-CG1 3.98Å; V864-V946 HydrophobicContact CG2-CB 4.41Å; V864-V946 HydrophobicContact CG2-CG1 4.2Å; V864-V946 HydrophobicContact CG2-CG2 3.34Å; V935-V946 HydrophobicContact CG1-CG1 3.81Å; K936-V946 WeakPolarHBondContact O-CA 3.26Å
947	T	96.9	Very high	88.4	Confident	9 Å²	9	22.6 Å²	22.6	6%	0.055	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	126.9	177.1	-54.9	0	0	0	0	109.2	F641 L793 G794 T795 V935 K936 F1128	F641-T947 HydrophobicContact CE1-CG2 4.37Å; F641-T947 HydrophobicContact CZ-CG2 4.17Å; L793-T947 HydrophobicContact CD2-CG2 4.02Å; G794-T947 CarbonylContact O-C 3.49Å; G794-T947 WeakPolarHBondContact O-CA 3.23Å; T795-T947 PolarHBondContact OG1-OG1 3.24Å; V935-T947 CarbonylContact C-O 3.51Å; V935-T947 WeakPolarHBondContact CA-O 3.36Å; K936-T947 PolarHBondContact N-O 3.23Å; K936-T947 PolarHBondContact O-N 3.15Å; T947-F1128 HydrophobicContact CG2-CD2 4.18Å; T947-F1128 HydrophobicContact CG2-CE2 3.82Å
948	V	95.6	Very high	86.2	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	127.8	-178.7	-175.4	0	0	0	0	108.8	L793 G794 F805 L820 V821 F830 V832 V935 L950 L998	L793-V948 WeakPolarHBondContact CA-O 3.29Å; G794-V948 PolarHBondContact N-O 3.11Å; G794-V948 VanDerWaalsContact N-O 3.11Å; G794-V948 PolarHBondContact O-N 3.28Å; F805-V948 HydrophobicContact CE1-CB 4.29Å; F805-V948 HydrophobicContact CE1-CG1 4.36Å; F805-V948 HydrophobicContact CZ-CB 4.13Å; F805-V948 HydrophobicContact CZ-CG1 4.03Å; L820-V948 HydrophobicContact CD2-CG2 3.93Å; V821-V948 HydrophobicContact CG2-CG1 4.27Å; V821-V948 HydrophobicContact CG2-CG2 4.31Å; F830-V948 HydrophobicContact CE1-CG1 4.23Å; F830-V948 HydrophobicContact CZ-CG1 4.39Å; V832-V948 HydrophobicContact CG1-CG2 4.42Å; V832-V948 HydrophobicContact CG2-CG2 4.41Å; V935-V948 HydrophobicContact CG2-CG1 4.37Å; V935-V948 HydrophobicContact CG2-CG2 4.27Å; V948-L950 HydrophobicContact CG1-CD2 3.99Å; V948-L950 HydrophobicContact CG1-CG 4.19Å; V948-L998 HydrophobicContact CB-CD1 3.95Å; V948-L998 HydrophobicContact CG2-CD1 3.75Å
949	A	91.9	Very high	83.8	Confident	5 Å²	5	25.1 Å²	25.1	4%	0.041	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	122.5	173.2	0	0	0	0	0	109.5	F641 L793 T933 G934	F641-A949 HydrophobicContact CD1-CB 4.42Å; F641-A949 HydrophobicContact CD2-CB 4.28Å; F641-A949 HydrophobicContact CE1-CB 3.9Å; F641-A949 HydrophobicContact CE2-CB 3.75Å; F641-A949 HydrophobicContact CZ-CB 3.53Å; L793-A949 HydrophobicContact CD2-CB 3.81Å; T933-A949 WeakPolarHBondContact CA-O 3.38Å; G934-A949 PolarHBondContact N-O 3.07Å; G934-A949 PolarHBondContact O-N 3.42Å
950	L	89.2	Confident	81.3	Confident	4 Å²	4	28.9 Å²	28.9	2%	0.021	13%	0.132	C	C	.	.			trans	-111.1	141	179	-63.2	-179.2	0	0	0	111.7	N792 F805 V821 F830 T933 V948 Y954 T994 Y1001	N792-L950 VanDerWaalsContact CB-O 3.29Å; N792-L950 WeakPolarHBondContact CB-O 3.36Å; N792-L950 PolarHBondContact ND2-O 2.88Å; N792-L950 PolarHBondContact O-N 2.94Å; F805-L950 HydrophobicContact CD1-CD1 4.42Å; F805-L950 HydrophobicContact CD2-CD1 4.45Å; F805-L950 HydrophobicContact CE1-CD1 3.77Å; F805-L950 HydrophobicContact CE1-CG 3.89Å; F805-L950 HydrophobicContact CE2-CD1 3.78Å; F805-L950 HydrophobicContact CZ-CD1 3.4Å; F805-L950 VanDerWaalsContact CZ-CD1 3.4Å; F805-L950 HydrophobicContact CZ-CG 3.84Å; V821-L950 HydrophobicContact CG1-CD1 4.48Å; F830-L950 HydrophobicContact CD1-CD2 4.01Å; F830-L950 HydrophobicContact CE1-CD2 3.6Å; F830-L950 HydrophobicContact CZ-CD2 4.31Å; T933-L950 HydrophobicContact CG2-CD2 3.73Å; V948-L950 HydrophobicContact CG1-CD2 3.99Å; V948-L950 HydrophobicContact CG1-CG 4.19Å; L950-Y954 HydrophobicContact CD2-CD1 4.43Å; L950-T994 HydrophobicContact CD1-CG2 3.69Å; L950-Y1001 HydrophobicContact CB-CD1 4.38Å; L950-Y1001 HydrophobicContact CB-CE1 3.89Å; L950-Y1001 HydrophobicContact CD1-CD1 3.74Å; L950-Y1001 HydrophobicContact CD1-CE1 4.11Å; L950-Y1001 HydrophobicContact CD1-CG 4.24Å
951	P	85.7	Confident	78.8	Confident	5 Å²	5	28.7 Å²	28.7	3%	0.032	14%	0.14	C	C	.	.			trans	-73.9	158.7	172.4	31.8	-33.8	0	0	0	110.9	R643 T933 S953 Y954	R643-P951 HydrophobicContact CG-CB 4.48Å; T933-P951 HydrophobicContact CG2-CG 4.28Å; P951-S953 PolarHBondContact O-N 3.23Å; P951-Y954 HydrophobicContact CG-CD2 3.66Å; P951-Y954 HydrophobicContact CG-CE2 4.12Å; P951-Y954 HydrophobicContact CG-CG 4.21Å; P951-Y954 PolarHBondContact O-N 2.78Å
952	P	78.7	Confident	76.4	Confident	12 Å²	12	29.4 Å²	29.4	8%	0.078	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-57.8	-24.7	179.3	-26.8	34.6	0	0	0	114.8	E767 Y954 R955	E767-P952 HydrophobicContact CB-CG 4.42Å; E767-P952 HydrophobicContact CG-CG 4.4Å; P952-Y954 PolarHBondContact O-N 3.02Å; P952-R955 VanDerWaalsContact O-CB 3.26Å; P952-R955 WeakPolarHBondContact O-CB 3.35Å; P952-R955 PolarHBondContact O-N 2.72Å
953	S	77.4	Confident	74.2	Confident	45 Å²	45	30.8 Å²	30.8	32%	0.315	15%	0.15	S	C	.	.	G	3₁₀ helix	trans	-65.8	-18.9	177.1	47.1	0	0	0	0	114.1	P951 R955 V959	P951-S953 PolarHBondContact O-N 3.23Å; S953-R955 VanDerWaalsContact C-N 3.31Å; S953-V959 WeakPolarHBondContact O-CG2 3.38Å
954	Y	82.3	Confident	71.7	Confident	1 Å²	1	36.4 Å²	36.4	0%	0.004	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-91.2	1.8	178.9	-79.8	-131.2	0	0	0	111.9	L823 Y828 F830 D868 S931 T933 L950 P951 P952 T994 Y1001	L823-Y954 HydrophobicContact CD2-CD1 3.3Å; L823-Y954 HydrophobicContact CD2-CE1 3.7Å; L823-Y954 HydrophobicContact CD2-CG 3.83Å; Y828-Y954 HydrophobicContact CD1-CD2 4.44Å; Y828-Y954 AromaticContact CD1-CE2 3.69Å; Y828-Y954 HydrophobicContact CD1-CE2 3.69Å; Y828-Y954 HydrophobicContact CE1-CE2 4.17Å; Y828-Y954 HydrophobicContact CG-CE2 4.34Å; F830-Y954 HydrophobicContact CB-CD1 4.32Å; F830-Y954 HydrophobicContact CB-CE1 3.65Å; F830-Y954 HydrophobicContact CG-CE1 4.12Å; D868-Y954 PolarHBondContact OD1-OH 3.13Å; S931-Y954 WeakPolarHBondContact CB-OH 3.43Å; S931-Y954 PolarHBondContact OG-OH 3.12Å; T933-Y954 HydrophobicContact CG2-CD1 3.82Å; T933-Y954 HydrophobicContact CG2-CE1 3.53Å; T933-Y954 HydrophobicContact CG2-CE2 4.38Å; T933-Y954 HydrophobicContact CG2-CG 4.37Å; L950-Y954 HydrophobicContact CD2-CD1 4.43Å; P951-Y954 HydrophobicContact CG-CD2 3.66Å; P951-Y954 HydrophobicContact CG-CE2 4.12Å; P951-Y954 HydrophobicContact CG-CG 4.21Å; P951-Y954 PolarHBondContact O-N 2.78Å; P952-Y954 PolarHBondContact O-N 3.02Å; Y954-T994 PolarHBondContact O-OG1 2.88Å; Y954-Y1001 WeakPolarHBondContact O-CD1 3.21Å
955	R	77.5	Confident	69.1	Low	6 Å²	6	44.4 Å²	44.4	2%	0.023	22%	0.217	C	C	.	.	S	Bend	trans	-72.7	134.2	176.3	-159.9	-171.6	162.9	-169.1	-11.3	110.5	T771 P952 S953 D957 K958 V959 Y1001 N1002	T771-R955 VanDerWaalsContact CB-NH1 3.29Å; T771-R955 PolarHBondContact OG1-NH1 3.21Å; P952-R955 VanDerWaalsContact O-CB 3.26Å; P952-R955 WeakPolarHBondContact O-CB 3.35Å; P952-R955 PolarHBondContact O-N 2.72Å; S953-R955 VanDerWaalsContact C-N 3.31Å; R955-D957 VanDerWaalsContact C-N 3.34Å; R955-D957 WeakPolarHBondContact CB-OD1 3.26Å; R955-D957 WeakPolarHBondContact CD-OD1 3.15Å; R955-D957 WeakPolarHBondContact CG-OD1 3.43Å; R955-D957 IonicContact CZ-OD1 2.75Å; R955-D957 IonicContact CZ-OD2 3.55Å; R955-D957 IonicContact NE-OD1 2.77Å; R955-D957 PolarHBondContact NE-OD1 2.77Å; R955-D957 VanDerWaalsContact NE-OD1 3.15Å; R955-D957 IonicContact NE-OD2 2.68Å; R955-D957 PolarHBondContact NE-OD2 2.95Å; R955-D957 IonicContact NH1-OD2 2.61Å; R955-D957 IonicContact NH2-OD2 2.58Å; R955-D957 PolarHBondContact NH2-OD2 3.42Å; R955-D957 PolarHBondContact O-N 2.97Å; R955-K958 PolarHBondContact O-N 3.15Å; R955-V959 WeakPolarHBondContact O-CG2 3Å; R955-V959 PolarHBondContact O-N 2.83Å; R955-V959 VanDerWaalsContact O-N 3.08Å; R955-Y1001 HydrophobicContact CB-CD1 4.22Å; R955-Y1001 HydrophobicContact CB-CE1 3.82Å; R955-Y1001 HydrophobicContact CG-CD1 4.45Å; R955-Y1001 HydrophobicContact CG-CE1 4.28Å; R955-Y1001 HydrophobicContact CG-CE2 4.49Å; R955-N1002 PolarHBondContact NE-O 3.43Å; R955-N1002 PolarHBondContact NH2-O 3.01Å
956	T	64.8	Low	66.4	Low	8 Å²	8	47.4 Å²	47.4	5%	0.049	23%	0.233	C	C	.	.	H	α-helix	trans	-59.5	-39.1	-169.2	-61.6	0	0	0	0	113.8	V959 K960 S993 T994 Y1001	T956-V959 PolarHBondContact O-N 3.21Å; T956-K960 PolarHBondContact O-N 2.96Å; T956-K960 VanDerWaalsContact O-N 3.15Å; T956-S993 WeakPolarHBondContact OG1-CA 3.32Å; T956-S993 WeakPolarHBondContact OG1-CB 3.35Å; T956-T994 PolarHBondContact OG1-N 3.22Å; T956-Y1001 PolarHBondContact N-O 2.89Å; T956-Y1001 VanDerWaalsContact N-O 3.11Å; T956-Y1001 PolarHBondContact OG1-O 2.95Å; T956-Y1001 VanDerWaalsContact OG1-O 3.09Å
957	D	59.6	Low	63.7	Low	50 Å²	50	56.4 Å²	56.4	27%	0.267	27%	0.273	S	S	.	.	H	α-helix	trans	-67	-41.1	178.5	62.9	-27	0	0	0	112.7	R955 K960 L961	R955-D957 VanDerWaalsContact C-N 3.34Å; R955-D957 WeakPolarHBondContact CB-OD1 3.26Å; R955-D957 WeakPolarHBondContact CD-OD1 3.15Å; R955-D957 WeakPolarHBondContact CG-OD1 3.43Å; R955-D957 IonicContact CZ-OD1 2.75Å; R955-D957 IonicContact CZ-OD2 3.55Å; R955-D957 IonicContact NE-OD1 2.77Å; R955-D957 PolarHBondContact NE-OD1 2.77Å; R955-D957 VanDerWaalsContact NE-OD1 3.15Å; R955-D957 IonicContact NE-OD2 2.68Å; R955-D957 PolarHBondContact NE-OD2 2.95Å; R955-D957 IonicContact NH1-OD2 2.61Å; R955-D957 IonicContact NH2-OD2 2.58Å; R955-D957 PolarHBondContact NH2-OD2 3.42Å; R955-D957 PolarHBondContact O-N 2.97Å; D957-K960 PolarHBondContact O-N 3.17Å; D957-L961 PolarHBondContact O-N 3.32Å
958	K	53	Low	61	Low	64 Å²	64	61.2 Å²	61.2	28%	0.278	30%	0.298	S	S	.	.	H	α-helix	trans	-69.3	-33.2	175.8	-67.6	-165.7	-176.1	175.7	0	112.2	E767 R955	E767-K958 IonicContact OE1-NZ 3.47Å; E767-K958 PolarHBondContact OE1-NZ 2.92Å; E767-K958 IonicContact OE2-NZ 3Å; E767-K958 PolarHBondContact OE2-NZ 3.22Å; R955-K958 PolarHBondContact O-N 3.15Å
959	V	48.2	Very low	58.4	Low	5 Å²	5	65.8 Å²	65.8	3%	0.03	33%	0.328	C	S	.	.	H	α-helix	trans	-65.2	-40.7	173.3	175.6	0	0	0	0	110.9	T825 S953 R955 T956 I963	T825-V959 HydrophobicContact CG2-CG1 3.9Å; S953-V959 WeakPolarHBondContact O-CG2 3.38Å; R955-V959 WeakPolarHBondContact O-CG2 3Å; R955-V959 PolarHBondContact O-N 2.83Å; R955-V959 VanDerWaalsContact O-N 3.08Å; T956-V959 PolarHBondContact O-N 3.21Å; V959-I963 HydrophobicContact CG1-CD1 4.27Å; V959-I963 WeakPolarHBondContact O-CG1 3.37Å
960	K	44.1	Very low	56.1	Low	87 Å²	87	72.6 Å²	72.6	38%	0.378	36%	0.362	S	S	.	.	H	α-helix	trans	-61.4	-44.4	176.4	-76.6	179.7	178.9	-179.8	0	113	T956 D957 R962 I963 N964	T956-K960 PolarHBondContact O-N 2.96Å; T956-K960 VanDerWaalsContact O-N 3.15Å; D957-K960 PolarHBondContact O-N 3.17Å; K960-R962 PolarHBondContact O-N 3.27Å; K960-I963 PolarHBondContact O-N 3.15Å; K960-N964 PolarHBondContact O-N 2.78Å
961	L	42	Very low	53.8	Low	121 Å²	121	79.1 Å²	79.1	63%	0.634	40%	0.396	S	S	*	.	H	α-helix	trans	-62.4	-38.1	-176.5	-76.6	164.1	0	0	0	113.4	D957	D957-L961 PolarHBondContact O-N 3.32Å
962	R	39.5	Very low	51.8	Low	146 Å²	146	80.2 Å²	80.2	55%	0.551	41%	0.406	S	S	*	.	H	α-helix	trans	-71	-33.1	178.5	-78.9	-168.4	-174.7	-170.6	0.5	113.6	Y828 K960 N964 Q965	Y828-R962 PolarHBondContact OH-NH1 2.91Å; K960-R962 PolarHBondContact O-N 3.27Å; R962-N964 VanDerWaalsContact C-N 3.35Å; R962-Q965 PolarHBondContact O-N 3.05Å
963	I	43.2	Very low	50.1	Low	28 Å²	28	84 Å²	84	14%	0.144	43%	0.429	C	S	.	.	H	α-helix	trans	-68.6	-37.9	-179.2	-62.5	168.8	0	0	0	110.7	V959 K960 Q965 I966 K991 Y992	V959-I963 HydrophobicContact CG1-CD1 4.27Å; V959-I963 WeakPolarHBondContact O-CG1 3.37Å; K960-I963 PolarHBondContact O-N 3.15Å; I963-Q965 PolarHBondContact O-N 2.84Å; I963-I966 PolarHBondContact O-N 2.9Å; I963-K991 HydrophobicContact CD1-CD 4.39Å; I963-K991 HydrophobicContact CG2-CD 4.04Å; I963-Y992 HydrophobicContact CD1-CD2 4.15Å
964	N	40.4	Very low	48.2	Very low	134 Å²	134	89.9 Å²	89.9	72%	0.717	45%	0.449	S	S	*	.	H	α-helix	trans	-68.6	-17.7	179.9	-77	-4	0	0	0	113.8	K960 R962 I966	K960-N964 PolarHBondContact O-N 2.78Å; R962-N964 VanDerWaalsContact C-N 3.35Å; N964-I966 VanDerWaalsContact C-N 3.28Å
965	Q	43.7	Very low	46.1	Very low	168 Å²	168	96.8 Å²	96.8	79%	0.785	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-13	172.8	-70.6	-175.5	-15	0	0	113.1	R962 I963 F967	R962-Q965 PolarHBondContact O-N 3.05Å; I963-Q965 PolarHBondContact O-N 2.84Å; Q965-F967 PolarHBondContact O-N 3.02Å
966	I	43.2	Very low	44.1	Very low	97 Å²	97	103.3 Å²	103.3	50%	0.497	51%	0.514	S	S	.	.	S	Bend	trans	-90.6	91.1	-180	-55.7	175.1	0	0	0	108.5	I963 N964	I963-I966 PolarHBondContact O-N 2.9Å; N964-I966 VanDerWaalsContact C-N 3.28Å
967	F	41.1	Very low	42.7	Very low	189 Å²	189	106.8 Å²	106.8	83%	0.829	54%	0.543	S	S	*	.	S	Bend	trans	55	73.9	160.4	-65.9	-91	0	0	0	117.8	Q965	Q965-F967 PolarHBondContact O-N 3.02Å
968	L	39.7	Very low	41.4	Very low	110 Å²	110	111.5 Å²	111.5	58%	0.576	57%	0.568	S	S	*	*			trans	-133.6	128.4	146.5	-72.4	175.2	0	0	0	110	I970	L968-I970 PolarHBondContact O-N 3.38Å
969	P	40.7	Very low	40.4	Very low	97 Å²	97	114.7 Å²	114.7	63%	0.63	59%	0.586	S	S	*	*			trans	-60.2	137.8	170.9	22.4	-27.9	0	0	0	109.2	N971 A972	P969-N971 PolarHBondContact O-N 3.18Å; P969-A972 WeakPolarHBondContact O-CB 3.44Å; P969-A972 PolarHBondContact O-N 3.29Å
970	I	43.2	Very low	39.7	Very low	147 Å²	147	120.3 Å²	120.3	75%	0.754	63%	0.625	S	S	*	*	H	α-helix	trans	-48.9	-31.6	-172.7	-64.6	167.3	0	0	0	112.6	L968 A972 V973	L968-I970 PolarHBondContact O-N 3.38Å; I970-A972 VanDerWaalsContact C-N 3.31Å; I970-A972 PolarHBondContact O-N 2.92Å; I970-V973 PolarHBondContact O-N 2.8Å
971	N	41.5	Very low	39	Very low	141 Å²	141	119.7 Å²	119.7	75%	0.754	63%	0.629	S	S	*	*	H	α-helix	trans	-68.8	-23.7	179.2	-68.3	-7.4	0	0	0	114.1	P969	P969-N971 PolarHBondContact O-N 3.18Å
972	A	43.7	Very low	38.7	Very low	29 Å²	29	116.9 Å²	116.9	24%	0.24	62%	0.619	C	S	.	*	H	α-helix	trans	-77.2	-29.8	175.5	0	0	0	0	0	112.2	P969 I970 K974 L975 F976	P969-A972 WeakPolarHBondContact O-CB 3.44Å; P969-A972 PolarHBondContact O-N 3.29Å; I970-A972 VanDerWaalsContact C-N 3.31Å; I970-A972 PolarHBondContact O-N 2.92Å; A972-K974 PolarHBondContact O-N 3.1Å; A972-L975 PolarHBondContact O-N 3.07Å; A972-L975 VanDerWaalsContact O-N 3.16Å; A972-F976 VanDerWaalsContact O-CD2 3.3Å; A972-F976 WeakPolarHBondContact O-CD2 3.32Å
973	V	43.4	Very low	38.7	Very low	91 Å²	91	115.2 Å²	115.2	55%	0.552	63%	0.627	S	S	*	*	H	α-helix	trans	-61	-35	177.3	-178.2	0	0	0	0	110.9	I970 L975 F976	I970-V973 PolarHBondContact O-N 2.8Å; V973-L975 VanDerWaalsContact C-N 3.33Å; V973-L975 PolarHBondContact O-N 2.98Å; V973-F976 PolarHBondContact O-N 3.25Å
974	K	36.9	Very low	38.6	Very low	169 Å²	169	121 Å²	121	74%	0.735	65%	0.653	S	S	*	*	H	α-helix	trans	-69.1	-29.2	179.4	-132.1	177.9	-175	-178	0	113.4	A972 F976 A977	A972-K974 PolarHBondContact O-N 3.1Å; K974-F976 VanDerWaalsContact C-N 3.34Å; K974-A977 PolarHBondContact O-N 3.15Å
975	L	38.6	Very low	38.4	Very low	145 Å²	145	119.7 Å²	119.7	76%	0.759	64%	0.643	S	S	*	*	H	α-helix	trans	-77.5	-21.7	-179.4	-131.6	118	0	0	0	112.8	A972 V973	A972-L975 PolarHBondContact O-N 3.07Å; A972-L975 VanDerWaalsContact O-N 3.16Å; V973-L975 VanDerWaalsContact C-N 3.33Å; V973-L975 PolarHBondContact O-N 2.98Å
976	F	35.5	Very low	38.2	Very low	144 Å²	144	115.2 Å²	115.2	63%	0.632	63%	0.627	S	S	*	*	H	α-helix	trans	-86.8	-13.9	175.2	-73.3	-73.4	0	0	0	113.7	A972 V973 K974 D978	A972-F976 VanDerWaalsContact O-CD2 3.3Å; A972-F976 WeakPolarHBondContact O-CD2 3.32Å; V973-F976 PolarHBondContact O-N 3.25Å; K974-F976 VanDerWaalsContact C-N 3.34Å; F976-D978 VanDerWaalsContact C-N 3.31Å
977	A	36	Very low	38.5	Very low	80 Å²	80	115.3 Å²	115.3	66%	0.661	62%	0.624	S	S	*	*	H	α-helix	trans	-71.5	-25.8	177.2	0	0	0	0	0	112.9	K974	K974-A977 PolarHBondContact O-N 3.15Å
978	D	31.6	Very low	39.2	Very low	149 Å²	149	107.4 Å²	107.4	80%	0.797	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92	1.8	-175.2	-80.3	-15.2	0	0	0	114.4	F976 S980	F976-D978 VanDerWaalsContact C-N 3.31Å; D978-S980 PolarHBondContact O-N 2.92Å
979	M	31.9	Very low	39.7	Very low	132 Å²	132	110.1 Å²	110.1	65%	0.65	60%	0.599	S	S	*	*			trans	-87.8	96.2	174.2	-151.5	159	73.8	0	0	109.3	V981	M979-V981 HydrophobicContact CE-CG2 4.37Å; M979-V981 HydrophobicContact CG-CG2 4.2Å; M979-V981 PolarHBondContact O-N 3.07Å
980	S	33.3	Very low	39.9	Very low	123 Å²	123	107 Å²	107	86%	0.86	59%	0.585	S	S	*	*			trans	-59.9	80	174.1	59.2	0	0	0	0	111.2	D978	D978-S980 PolarHBondContact O-N 2.92Å
981	V	30.7	Very low	40.2	Very low	74 Å²	74	105.1 Å²	105.1	45%	0.448	57%	0.571	S	S	.	*			trans	-109.9	134	168.4	-176.4	0	0	0	0	106.7	M979	M979-V981 HydrophobicContact CE-CG2 4.37Å; M979-V981 HydrophobicContact CG-CG2 4.2Å; M979-V981 PolarHBondContact O-N 3.07Å
982	S	36	Very low	40.6	Very low	61 Å²	61	102.8 Å²	102.8	43%	0.427	55%	0.552	S	S	.	*			trans	-52.8	138.4	-175.9	56.4	0	0	0	0	111	E984 E985 T986	S982-E984 PolarHBondContact O-N 2.86Å; S982-E985 PolarHBondContact O-N 2.92Å; S982-T986 PolarHBondContact O-OG1 2.85Å; S982-T986 VanDerWaalsContact O-OG1 3.14Å
983	P	38.6	Very low	41.7	Very low	111 Å²	111	102.2 Å²	102.2	72%	0.721	55%	0.547	S	S	*	.	H	α-helix	trans	-57.2	-25.3	-176.7	-24.4	32.1	0	0	0	114
984	E	41.7	Very low	43.7	Very low	149 Å²	149	98 Å²	98	70%	0.696	52%	0.521	S	S	*	.	H	α-helix	trans	-77.1	-41.4	-173.7	-68.5	177.2	163.4	0	0	112.7	S982 T986 K987	S982-E984 PolarHBondContact O-N 2.86Å; E984-T986 VanDerWaalsContact C-N 3.35Å; E984-T986 PolarHBondContact O-N 2.97Å; E984-K987 PolarHBondContact O-N 2.96Å
985	E	35.4	Very low	46.2	Very low	108 Å²	108	90.9 Å²	90.9	51%	0.505	49%	0.491	S	S	.	.	H	α-helix	trans	-74.9	-25.8	-179.9	-70.6	-158.3	-174.1	0	0	113.3	S982 K987 K989	S982-E985 PolarHBondContact O-N 2.92Å; E985-K987 VanDerWaalsContact C-N 3.31Å; E985-K987 PolarHBondContact O-N 2.83Å; E985-K989 IonicContact OE2-NZ 3.69Å; E985-K989 PolarHBondContact OE2-NZ 3.47Å
986	T	40.8	Very low	48.8	Very low	74 Å²	74	84 Å²	84	45%	0.454	46%	0.455	S	S	.	.	H	α-helix	trans	-76.7	-17.1	179.7	-29.3	0	0	0	0	112.6	S982 E984 C988 G990	S982-T986 PolarHBondContact O-OG1 2.85Å; S982-T986 VanDerWaalsContact O-OG1 3.14Å; E984-T986 VanDerWaalsContact C-N 3.35Å; E984-T986 PolarHBondContact O-N 2.97Å; T986-C988 VanDerWaalsContact C-N 3.32Å; T986-C988 PolarHBondContact O-N 2.69Å; T986-G990 PolarHBondContact O-N 2.95Å
987	K	48.6	Very low	51.8	Low	98 Å²	98	77.2 Å²	77.2	43%	0.426	43%	0.425	S	S	.	.	H	α-helix	trans	-59	-38.3	-174.7	-99.3	-167.8	173.6	-162.8	0	113.4	E984 E985 D1007	E984-K987 PolarHBondContact O-N 2.96Å; E985-K987 VanDerWaalsContact C-N 3.31Å; E985-K987 PolarHBondContact O-N 2.83Å; K987-D1007 IonicContact NZ-OD2 3.98Å; K987-D1007 PolarHBondContact NZ-OD2 2.83Å
988	C	56.7	Low	54.6	Low	23 Å²	23	73.4 Å²	73.4	16%	0.155	39%	0.394	C	S	.	.	H	α-helix	trans	-108.3	-39.8	177.7	-77.5	0	0	0	0	115.1	T986 G990 K991 C1014	T986-C988 VanDerWaalsContact C-N 3.32Å; T986-C988 PolarHBondContact O-N 2.69Å; C988-G990 CarbonylContact O-C 3.57Å; C988-G990 PolarHBondContact O-N 3.43Å; C988-G990 VanDerWaalsContact O-N 3.11Å; C988-K991 PolarHBondContact O-N 3.01Å; C988-C1014 HydrophobicContact CB-CB 3.36Å; C988-C1014 WeakPolarHBondContact CB-SG 3.32Å; C988-C1014 WeakPolarHBondContact SG-CB 3.47Å; C988-C1014 CovalentContact SG-SG 2Å; C988-C1014 PolarHBondContact SG-SG 2.8Å
989	K	49.1	Very low	57.4	Low	167 Å²	167	66.3 Å²	66.3	73%	0.726	36%	0.356	S	S	*	.	H	α-helix	trans	-59.2	-28.8	-176	-75.8	179.2	-178.6	166	0	110.5	E985 K991	E985-K989 IonicContact OE2-NZ 3.69Å; E985-K989 PolarHBondContact OE2-NZ 3.47Å; K989-K991 PolarHBondContact O-N 3.11Å
990	G	45	Very low	60	Low	32 Å²	32	60.2 Å²	60.2	33%	0.33	33%	0.326	S	S	.	.	S	Bend	trans	-89.7	79.9	165	0	0	0	0	0	113.1	T986 C988	T986-G990 PolarHBondContact O-N 2.95Å; C988-G990 CarbonylContact O-C 3.57Å; C988-G990 PolarHBondContact O-N 3.43Å; C988-G990 VanDerWaalsContact O-N 3.11Å
991	K	48.9	Very low	62.5	Low	107 Å²	107	54.4 Å²	54.4	47%	0.465	29%	0.285	S	S	.	.	S	Bend	trans	66.9	94.3	151	-62.3	179.6	-179.2	173.9	0	116.8	I963 C988 K989	I963-K991 HydrophobicContact CD1-CD 4.39Å; I963-K991 HydrophobicContact CG2-CD 4.04Å; C988-K991 PolarHBondContact O-N 3.01Å; K989-K991 PolarHBondContact O-N 3.11Å
992	Y	51.4	Low	64.8	Low	92 Å²	92	52.2 Å²	52.2	36%	0.361	27%	0.271	S	S	.	.			trans	59.9	88.3	135.8	-37.4	-66.2	0	0	0	118.6	N824 T825 P826 I963	N824-Y992 WeakPolarHBondContact O-CD1 3.44Å; N824-Y992 VanDerWaalsContact O-CE1 3.26Å; N824-Y992 WeakPolarHBondContact O-CE1 3.05Å; T825-Y992 HydrophobicContact CG2-CD1 4.45Å; T825-Y992 HydrophobicContact CG2-CD2 4.34Å; T825-Y992 HydrophobicContact CG2-CG 3.81Å; P826-Y992 VanDerWaalsContact CD-CZ 3.45Å; P826-Y992 HydrophobicContact CG-CE2 4.03Å; I963-Y992 HydrophobicContact CD1-CD2 4.15Å
993	S	66.8	Low	66.6	Low	18 Å²	18	49.7 Å²	49.7	13%	0.126	26%	0.255	C	S	.	.			trans	-109	148.9	170.1	37.6	0	0	0	0	110.8	T956 M995	T956-S993 WeakPolarHBondContact OG1-CA 3.32Å; T956-S993 WeakPolarHBondContact OG1-CB 3.35Å; S993-M995 PolarHBondContact O-N 3.1Å; S993-M995 WeakPolarHBondContact OG-CE 3.44Å; S993-M995 WeakPolarHBondContact OG-CG 3.23Å; S993-M995 PolarHBondContact OG-SD 3Å
994	T	85.2	Confident	68.3	Low	1 Å²	1	45.6 Å²	45.6	1%	0.006	23%	0.227	C	C	.	.			trans	-76.8	111.4	167.9	-62.9	0	0	0	0	107.5	V821 L823 L950 Y954 T956 Y1001	V821-T994 HydrophobicContact CG1-CG2 3.77Å; L823-T994 WeakPolarHBondContact CD1-OG1 3.32Å; L950-T994 HydrophobicContact CD1-CG2 3.69Å; Y954-T994 PolarHBondContact O-OG1 2.88Å; T956-T994 PolarHBondContact OG1-N 3.22Å; T994-Y1001 HydrophobicContact CG2-CD1 4.32Å; T994-Y1001 PolarHBondContact O-N 3.49Å
995	M	89	Confident	70.1	Confident	20 Å²	20	41 Å²	41	10%	0.099	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-139.2	164.6	-171.9	-70.3	176	160.6	0	0	111.6	V821 L822 S993 G999 T1000 T1010 W1039	V821-M995 CarbonylContact C-O 3.49Å; L822-M995 PolarHBondContact N-O 3.31Å; L822-M995 PolarHBondContact O-N 3.04Å; S993-M995 PolarHBondContact O-N 3.1Å; S993-M995 WeakPolarHBondContact OG-CE 3.44Å; S993-M995 WeakPolarHBondContact OG-CG 3.23Å; S993-M995 PolarHBondContact OG-SD 3Å; M995-G999 WeakPolarHBondContact CA-O 3.4Å; M995-T1000 HydrophobicContact CE-CG2 3.78Å; M995-T1000 HydrophobicContact CG-CG2 4.06Å; M995-T1010 HydrophobicContact CE-CG2 3.78Å; M995-T1010 HydrophobicContact SD-CG2 4.25Å; M995-W1039 HydrophobicContact CB-CH2 3.66Å; M995-W1039 HydrophobicContact CB-CZ2 4.02Å
996	G	93.8	Very high	72.2	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.01	22%	0.216	C	C	.	.	S	Bend	trans	158.2	-160.2	173.9	0	0	0	0	0	111.3	L998 G999 F1035	G996-L998 PolarHBondContact O-N 3.26Å; G996-G999 PolarHBondContact N-O 3.5Å; G996-G999 PolarHBondContact O-N 3.45Å; G996-F1035 WeakPolarHBondContact O-CZ 3.29Å
997	L	96.4	Very high	74.2	Confident	1 Å²	1	40.6 Å²	40.6	1%	0.005	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-24	170.3	-68.5	174.5	0	0	0	112.8	F802 Y810 F812 F818 V819 L820 G999 F1035 W1039	F802-L997 HydrophobicContact CD1-CB 4.27Å; F802-L997 HydrophobicContact CE1-CB 4.05Å; F802-L997 HydrophobicContact CE1-CD1 4.06Å; F802-L997 HydrophobicContact CZ-CD1 4.1Å; Y810-L997 WeakPolarHBondContact CE1-O 3.49Å; Y810-L997 WeakPolarHBondContact OH-CA 3.03Å; Y810-L997 WeakPolarHBondContact OH-CB 3.44Å; Y810-L997 PolarHBondContact OH-O 3.05Å; F812-L997 HydrophobicContact CD1-CD1 4.33Å; F812-L997 HydrophobicContact CD1-CD2 4.13Å; F812-L997 HydrophobicContact CE1-CD1 4.38Å; F812-L997 HydrophobicContact CE1-CD2 4.38Å; F818-L997 HydrophobicContact CB-CD1 3.66Å; F818-L997 HydrophobicContact CG-CD1 4.32Å; V819-L997 WeakPolarHBondContact O-CG 3.35Å; V819-L997 PolarHBondContact O-N 3.31Å; L820-L997 HydrophobicContact CD1-CB 4.17Å; L820-L997 PolarHBondContact O-N 2.61Å; L997-G999 PolarHBondContact O-N 3.14Å; L997-F1035 HydrophobicContact CD2-CE1 4.24Å; L997-W1039 HydrophobicContact CD2-CB 3.97Å; L997-W1039 HydrophobicContact CD2-CG 4.23Å; L997-W1039 HydrophobicContact CG-CB 4.02Å; L997-W1039 HydrophobicContact CG-CG 4.37Å
998	L	95.2	Very high	76.1	Confident	0 Å²	0	36 Å²	36	0%	0	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	17.1	171.6	-65.6	179.9	0	0	0	114.2	F802 T804 F805 L820 V821 V948 G996	F802-L998 HydrophobicContact CD1-CD2 4.35Å; T804-L998 CarbonylContact C-O 3.57Å; T804-L998 VanDerWaalsContact CA-O 3.24Å; T804-L998 WeakPolarHBondContact CA-O 3.49Å; T804-L998 WeakPolarHBondContact CB-O 3.29Å; F805-L998 HydrophobicContact CD2-CB 3.84Å; F805-L998 WeakPolarHBondContact CD2-O 3.44Å; F805-L998 HydrophobicContact CE1-CD1 4.48Å; F805-L998 HydrophobicContact CE2-CB 3.52Å; F805-L998 HydrophobicContact CE2-CD1 4.21Å; F805-L998 HydrophobicContact CZ-CB 4.07Å; F805-L998 HydrophobicContact CZ-CD1 3.89Å; F805-L998 PolarHBondContact N-O 2.81Å; L820-L998 HydrophobicContact CD1-CD1 4.09Å; L820-L998 HydrophobicContact CD1-CD2 4.01Å; L820-L998 HydrophobicContact CD1-CG 3.65Å; L820-L998 HydrophobicContact CD2-CD1 3.97Å; L820-L998 HydrophobicContact CD2-CG 4.45Å; L820-L998 HydrophobicContact CG-CD1 3.72Å; L820-L998 HydrophobicContact CG-CG 3.75Å; L820-L998 PolarHBondContact O-N 3.16Å; L820-L998 VanDerWaalsContact O-N 3.11Å; V821-L998 HydrophobicContact CG2-CB 4.28Å; V821-L998 HydrophobicContact CG2-CD1 3.8Å; V821-L998 HydrophobicContact CG2-CG 4.38Å; V948-L998 HydrophobicContact CB-CD1 3.95Å; V948-L998 HydrophobicContact CG2-CD1 3.75Å; G996-L998 PolarHBondContact O-N 3.26Å
999	G	91.2	Very high	77.7	Confident	1 Å²	1	35 Å²	35	1%	0.01	17%	0.17	C	C	.	.			trans	81.1	-173.8	175.1	0	0	0	0	0	113.8	M995 G996 L997 D1008	M995-G999 WeakPolarHBondContact CA-O 3.4Å; G996-G999 PolarHBondContact N-O 3.5Å; G996-G999 PolarHBondContact O-N 3.45Å; L997-G999 PolarHBondContact O-N 3.14Å; G999-D1008 WeakPolarHBondContact CA-O 3.3Å; G999-D1008 WeakPolarHBondContact CA-OD1 3.38Å
1000	T	87	Confident	79.7	Confident	3 Å²	3	27.4 Å²	27.4	2%	0.018	14%	0.138	C	C	.	.			trans	-92.2	115.6	178	-58.2	0	0	0	0	108.1	M995 N1002 D1007 D1008	M995-T1000 HydrophobicContact CE-CG2 3.78Å; M995-T1000 HydrophobicContact CG-CG2 4.06Å; T1000-N1002 HydrophobicContact CG2-CB 4.42Å; T1000-N1002 WeakPolarHBondContact CG2-ND2 3.35Å; T1000-N1002 PolarHBondContact O-N 3.34Å; T1000-D1007 PolarHBondContact OG1-O 3.1Å; T1000-D1008 PolarHBondContact N-OD1 2.84Å
1001	Y	85.2	Confident	81.8	Confident	1 Å²	1	25.9 Å²	25.9	0%	0.004	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	90.5	-177.2	177.9	-135.8	0	0	0	111	V790 N792 F805 L950 Y954 R955 T956 T994	V790-Y1001 HydrophobicContact CG1-CD2 4.07Å; V790-Y1001 HydrophobicContact CG1-CE2 3.55Å; N792-Y1001 PolarHBondContact OD1-OH 3.41Å; F805-Y1001 HydrophobicContact CB-CD2 3.79Å; F805-Y1001 HydrophobicContact CB-CG 4.43Å; F805-Y1001 HydrophobicContact CD2-CG 4.43Å; F805-Y1001 HydrophobicContact CG-CD2 4.07Å; F805-Y1001 HydrophobicContact CG-CG 4.35Å; L950-Y1001 HydrophobicContact CB-CD1 4.38Å; L950-Y1001 HydrophobicContact CB-CE1 3.89Å; L950-Y1001 HydrophobicContact CD1-CD1 3.74Å; L950-Y1001 HydrophobicContact CD1-CE1 4.11Å; L950-Y1001 HydrophobicContact CD1-CG 4.24Å; Y954-Y1001 WeakPolarHBondContact O-CD1 3.21Å; R955-Y1001 HydrophobicContact CB-CD1 4.22Å; R955-Y1001 HydrophobicContact CB-CE1 3.82Å; R955-Y1001 HydrophobicContact CG-CD1 4.45Å; R955-Y1001 HydrophobicContact CG-CE1 4.28Å; R955-Y1001 HydrophobicContact CG-CE2 4.49Å; T956-Y1001 PolarHBondContact N-O 2.89Å; T956-Y1001 VanDerWaalsContact N-O 3.11Å; T956-Y1001 PolarHBondContact OG1-O 2.95Å; T956-Y1001 VanDerWaalsContact OG1-O 3.09Å; T994-Y1001 HydrophobicContact CG2-CD1 4.32Å; T994-Y1001 PolarHBondContact O-N 3.49Å
1002	N	78.4	Confident	83.6	Confident	29 Å²	29	22.8 Å²	22.8	16%	0.155	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-150.3	-8.7	-179.7	69.7	17.8	0	0	0	115	D806 R955 T1000 D1004 D1007	D806-N1002 PolarHBondContact OD2-OD1 2.96Å; R955-N1002 PolarHBondContact NE-O 3.43Å; R955-N1002 PolarHBondContact NH2-O 3.01Å; T1000-N1002 HydrophobicContact CG2-CB 4.42Å; T1000-N1002 WeakPolarHBondContact CG2-ND2 3.35Å; T1000-N1002 PolarHBondContact O-N 3.34Å; N1002-D1004 WeakPolarHBondContact OD1-CA 3.4Å; N1002-D1004 WeakPolarHBondContact OD1-CB 3.4Å; N1002-D1004 PolarHBondContact OD1-N 3.02Å; N1002-D1007 VanDerWaalsContact ND2-CG 3.35Å; N1002-D1007 PolarHBondContact ND2-OD1 2.54Å; N1002-D1007 PolarHBondContact ND2-OD2 2.79Å; N1002-D1007 VanDerWaalsContact ND2-OD2 3.08Å; N1002-D1007 PolarHBondContact OD1-OD1 3.17Å
1003	G	73.4	Confident	85.2	Confident	7 Å²	7	23.7 Å²	23.7	7%	0.072	12%	0.124	C	C	.	.	S	Bend	trans	95.8	-0.1	-177.8	0	0	0	0	0	116.2	D806	D806-G1003 VanDerWaalsContact OD1-CA 3.29Å; D806-G1003 WeakPolarHBondContact OD1-CA 3.28Å; D806-G1003 PolarHBondContact OD1-N 3.46Å; D806-G1003 VanDerWaalsContact OD2-CA 3.27Å; D806-G1003 WeakPolarHBondContact OD2-CA 2.96Å; D806-G1003 PolarHBondContact OD2-N 2.71Å
1004	D	75.9	Confident	85.8	Confident	25 Å²	25	24.6 Å²	24.6	13%	0.134	13%	0.13	C	C	.	.			trans	-113.7	91.2	-176.3	-170.2	-0.7	0	0	0	110.9	D806 N1002 R1006 D1007	D806-D1004 PolarHBondContact OD2-N 2.71Å; N1002-D1004 WeakPolarHBondContact OD1-CA 3.4Å; N1002-D1004 WeakPolarHBondContact OD1-CB 3.4Å; N1002-D1004 PolarHBondContact OD1-N 3.02Å; D1004-R1006 PolarHBondContact O-N 2.71Å; D1004-R1006 VanDerWaalsContact OD1-CB 3.26Å; D1004-R1006 WeakPolarHBondContact OD1-CB 2.98Å; D1004-R1006 WeakPolarHBondContact OD1-CG 3.41Å; D1004-R1006 IonicContact OD1-CZ 3.52Å; D1004-R1006 PolarHBondContact OD1-N 2.8Å; D1004-R1006 VanDerWaalsContact OD1-N 3.12Å; D1004-R1006 IonicContact OD1-NE 3.63Å; D1004-R1006 PolarHBondContact OD1-NE 3.01Å; D1004-R1006 IonicContact OD1-NH2 2.83Å; D1004-R1006 IonicContact OD2-CZ 3.42Å; D1004-R1006 IonicContact OD2-NE 3.46Å; D1004-R1006 PolarHBondContact OD2-NE 3.18Å; D1004-R1006 IonicContact OD2-NH2 3.34Å; D1004-R1006 PolarHBondContact OD2-NH2 3.33Å; D1004-D1007 PolarHBondContact O-N 3.36Å; D1004-D1007 VanDerWaalsContact O-OD1 3.09Å
1005	S	79.7	Confident	85.9	Confident	52 Å²	52	27 Å²	27	36%	0.364	15%	0.147	S	C	.	.	G	3₁₀ helix	trans	-51.6	-16.3	174.9	60.4	0	0	0	0	115.4	T808 D1007	T808-S1005 WeakPolarHBondContact OG1-CB 3.4Å; S1005-D1007 VanDerWaalsContact C-N 3.3Å; S1005-D1007 PolarHBondContact O-N 2.9Å
1006	R	79.2	Confident	85.7	Confident	164 Å²	164	30 Å²	30	62%	0.619	16%	0.163	S	C	*	.	G	3₁₀ helix	trans	-73.9	-19.1	177.5	-59.1	173.9	-63	174.3	4.6	113.2	D1004	D1004-R1006 PolarHBondContact O-N 2.71Å; D1004-R1006 VanDerWaalsContact OD1-CB 3.26Å; D1004-R1006 WeakPolarHBondContact OD1-CB 2.98Å; D1004-R1006 WeakPolarHBondContact OD1-CG 3.41Å; D1004-R1006 IonicContact OD1-CZ 3.52Å; D1004-R1006 PolarHBondContact OD1-N 2.8Å; D1004-R1006 VanDerWaalsContact OD1-N 3.12Å; D1004-R1006 IonicContact OD1-NE 3.63Å; D1004-R1006 PolarHBondContact OD1-NE 3.01Å; D1004-R1006 IonicContact OD1-NH2 2.83Å; D1004-R1006 IonicContact OD2-CZ 3.42Å; D1004-R1006 IonicContact OD2-NE 3.46Å; D1004-R1006 PolarHBondContact OD2-NE 3.18Å; D1004-R1006 IonicContact OD2-NH2 3.34Å; D1004-R1006 PolarHBondContact OD2-NH2 3.33Å
1007	D	83.1	Confident	85.4	Confident	11 Å²	11	30.4 Å²	30.4	6%	0.059	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-114.4	16.5	177.4	76	7.3	0	0	0	115.1	K987 T1000 N1002 D1004 S1005 F1009 T1010 L1016	K987-D1007 IonicContact NZ-OD2 3.98Å; K987-D1007 PolarHBondContact NZ-OD2 2.83Å; T1000-D1007 PolarHBondContact OG1-O 3.1Å; N1002-D1007 VanDerWaalsContact ND2-CG 3.35Å; N1002-D1007 PolarHBondContact ND2-OD1 2.54Å; N1002-D1007 PolarHBondContact ND2-OD2 2.79Å; N1002-D1007 VanDerWaalsContact ND2-OD2 3.08Å; N1002-D1007 PolarHBondContact OD1-OD1 3.17Å; D1004-D1007 PolarHBondContact O-N 3.36Å; D1004-D1007 VanDerWaalsContact O-OD1 3.09Å; S1005-D1007 VanDerWaalsContact C-N 3.3Å; S1005-D1007 PolarHBondContact O-N 2.9Å; D1007-F1009 PolarHBondContact O-N 2.8Å; D1007-T1010 PolarHBondContact O-N 2.61Å; D1007-T1010 PolarHBondContact O-OG1 2.82Å; D1007-L1016 HydrophobicContact CB-CD1 4.06Å
1008	D	87.5	Confident	84.5	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-34.3	171.6	-89.3	-25.2	0	0	0	112.9	T804 T808 G999 T1000 T1010 F1035	T804-D1008 WeakPolarHBondContact CB-OD2 3.47Å; T804-D1008 HydrophobicContact CG2-CB 4.17Å; T804-D1008 PolarHBondContact OG1-OD2 3.29Å; T808-D1008 WeakPolarHBondContact CB-OD2 3.19Å; T808-D1008 PolarHBondContact OG1-OD2 3.08Å; G999-D1008 WeakPolarHBondContact CA-O 3.3Å; G999-D1008 WeakPolarHBondContact CA-OD1 3.38Å; T1000-D1008 PolarHBondContact N-OD1 2.84Å; D1008-T1010 PolarHBondContact O-N 2.8Å; D1008-F1035 WeakPolarHBondContact O-CE2 3.44Å; D1008-F1035 WeakPolarHBondContact O-CZ 3.35Å
1009	F	91.2	Very high	83.2	Confident	2 Å²	2	37.4 Å²	37.4	1%	0.009	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	46.7	178.3	-56	-50.5	0	0	0	113.1	T808 Y810 D1007 V1017 N1019 Y1027 I1031 F1035	T808-F1009 HydrophobicContact CG2-CE1 4.32Å; T808-F1009 HydrophobicContact CG2-CE2 4Å; T808-F1009 HydrophobicContact CG2-CZ 3.58Å; Y810-F1009 AromaticContact CD1-CE1 3.7Å; Y810-F1009 HydrophobicContact CD1-CE1 3.7Å; Y810-F1009 HydrophobicContact CD1-CZ 4.24Å; Y810-F1009 HydrophobicContact CD2-CE1 4.21Å; Y810-F1009 HydrophobicContact CE1-CE1 4.17Å; Y810-F1009 AromaticContact CG-CE1 3.73Å; Y810-F1009 HydrophobicContact CG-CE1 3.73Å; Y810-F1009 HydrophobicContact CG-CZ 4.11Å; D1007-F1009 PolarHBondContact O-N 2.8Å; F1009-V1017 HydrophobicContact CB-CB 3.97Å; F1009-V1017 PolarHBondContact O-N 2.94Å; F1009-N1019 HydrophobicContact CD2-CB 4.03Å; F1009-N1019 HydrophobicContact CE2-CB 4.11Å; F1009-Y1027 WeakPolarHBondContact CZ-OH 2.88Å; F1009-I1031 HydrophobicContact CB-CD1 4.41Å; F1009-I1031 HydrophobicContact CD1-CD1 4.03Å; F1009-I1031 HydrophobicContact CD1-CG2 4.36Å; F1009-I1031 HydrophobicContact CD2-CD1 3.51Å; F1009-I1031 HydrophobicContact CE1-CD1 4.12Å; F1009-I1031 HydrophobicContact CE1-CG2 4.04Å; F1009-I1031 HydrophobicContact CE2-CD1 3.6Å; F1009-I1031 HydrophobicContact CE2-CG1 4.41Å; F1009-I1031 HydrophobicContact CG-CD1 3.73Å; F1009-I1031 HydrophobicContact CZ-CD1 3.91Å; F1009-I1031 HydrophobicContact CZ-CG1 4.39Å; F1009-I1031 HydrophobicContact CZ-CG2 4.47Å; F1009-F1035 HydrophobicContact CB-CD2 4.11Å; F1009-F1035 HydrophobicContact CB-CE2 4.48Å; F1009-F1035 HydrophobicContact CB-CG 4.2Å; F1009-F1035 AromaticContact CD1-CD1 3.66Å; F1009-F1035 HydrophobicContact CD1-CD1 3.66Å; F1009-F1035 HydrophobicContact CD1-CD2 4.41Å; F1009-F1035 AromaticContact CD1-CE1 3.7Å; F1009-F1035 HydrophobicContact CD1-CE1 3.7Å; F1009-F1035 HydrophobicContact CD1-CE2 4.43Å; F1009-F1035 HydrophobicContact CD1-CG 4.03Å; F1009-F1035 HydrophobicContact CD1-CZ 4.09Å; F1009-F1035 HydrophobicContact CE1-CD1 4.32Å; F1009-F1035 HydrophobicContact CE1-CE1 4.24Å
1010	T	89.4	Confident	81.9	Confident	9 Å²	9	40.1 Å²	40.1	6%	0.055	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-86.5	118	171.4	-58.7	0	0	0	0	109.5	M995 D1007 D1008 C1014 F1035 W1039	M995-T1010 HydrophobicContact CE-CG2 3.78Å; M995-T1010 HydrophobicContact SD-CG2 4.25Å; D1007-T1010 PolarHBondContact O-N 2.61Å; D1007-T1010 PolarHBondContact O-OG1 2.82Å; D1008-T1010 PolarHBondContact O-N 2.8Å; T1010-C1014 HydrophobicContact CG2-CB 4.49Å; T1010-F1035 VanDerWaalsContact O-CE2 3.29Å; T1010-F1035 WeakPolarHBondContact O-CE2 3.33Å; T1010-W1039 VanDerWaalsContact O-CZ2 3.28Å; T1010-W1039 WeakPolarHBondContact O-CZ2 3.08Å; T1010-W1039 PolarHBondContact O-NE1 3.42Å
1011	A	89.2	Confident	80.7	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	28%	0.275	C	S	.	.			trans	-75.5	167.5	176.4	0	0	0	0	0	111.7	D1013 C1014 S1015 K1038	A1011-D1013 VanDerWaalsContact C-N 3.26Å; A1011-D1013 WeakPolarHBondContact CB-OD1 3.27Å; A1011-D1013 PolarHBondContact O-N 2.83Å; A1011-C1014 VanDerWaalsContact O-CA 3.26Å; A1011-C1014 WeakPolarHBondContact O-CA 3.3Å; A1011-C1014 PolarHBondContact O-N 2.78Å; A1011-S1015 WeakPolarHBondContact CB-OG 3.44Å; A1011-S1015 PolarHBondContact N-O 2.76Å; A1011-K1038 HydrophobicContact CB-CB 4.34Å; A1011-K1038 HydrophobicContact CB-CG 4.46Å
1012	P	86.9	Confident	80	Confident	42 Å²	42	53.6 Å²	53.6	27%	0.273	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-25.1	-179.3	-20.4	31.7	0	0	0	115	K1038 W1039 V1044	P1012-K1038 HydrophobicContact CG-CB 4.25Å; P1012-K1038 WeakPolarHBondContact CG-O 3.39Å; P1012-W1039 HydrophobicContact CB-CH2 4.48Å; P1012-W1039 HydrophobicContact CB-CZ3 4.36Å; P1012-W1039 HydrophobicContact CG-CD2 3.67Å; P1012-W1039 HydrophobicContact CG-CE3 3.7Å; P1012-W1039 HydrophobicContact CG-CG 4.19Å; P1012-W1039 HydrophobicContact CG-CH2 4.22Å; P1012-W1039 HydrophobicContact CG-CZ2 4.19Å; P1012-W1039 HydrophobicContact CG-CZ3 3.98Å; P1012-V1044 HydrophobicContact CB-CG2 4.06Å; P1012-V1044 HydrophobicContact CG-CG2 3.68Å
1013	D	84.5	Confident	79.6	Confident	110 Å²	110	57.9 Å²	57.9	59%	0.588	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-1.7	171.6	67.9	-6.1	0	0	0	112.7	A1011 S1015	A1011-D1013 VanDerWaalsContact C-N 3.26Å; A1011-D1013 WeakPolarHBondContact CB-OD1 3.27Å; A1011-D1013 PolarHBondContact O-N 2.83Å; D1013-S1015 VanDerWaalsContact C-N 3.28Å; D1013-S1015 PolarHBondContact O-N 2.83Å; D1013-S1015 WeakPolarHBondContact OD1-CB 3.31Å; D1013-S1015 PolarHBondContact OD1-N 2.78Å; D1013-S1015 PolarHBondContact OD1-OG 3.01Å
1014	C	80.6	Confident	79.9	Confident	38 Å²	38	59.9 Å²	59.9	26%	0.257	33%	0.333	S	S	.	.			trans	69.9	20.4	178.4	-58.5	0	0	0	0	115.6	C988 T1010 A1011	C988-C1014 HydrophobicContact CB-CB 3.36Å; C988-C1014 WeakPolarHBondContact CB-SG 3.32Å; C988-C1014 WeakPolarHBondContact SG-CB 3.47Å; C988-C1014 CovalentContact SG-SG 2Å; C988-C1014 PolarHBondContact SG-SG 2.8Å; T1010-C1014 HydrophobicContact CG2-CB 4.49Å; A1011-C1014 VanDerWaalsContact O-CA 3.26Å; A1011-C1014 WeakPolarHBondContact O-CA 3.3Å; A1011-C1014 PolarHBondContact O-N 2.78Å
1015	S	86.3	Confident	80.2	Confident	51 Å²	51	61.3 Å²	61.3	36%	0.357	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-66.5	131.7	159	60.3	0	0	0	0	109.8	A1011 D1013	A1011-S1015 WeakPolarHBondContact CB-OG 3.44Å; A1011-S1015 PolarHBondContact N-O 2.76Å; D1013-S1015 VanDerWaalsContact C-N 3.28Å; D1013-S1015 PolarHBondContact O-N 2.83Å; D1013-S1015 WeakPolarHBondContact OD1-CB 3.31Å; D1013-S1015 PolarHBondContact OD1-N 2.78Å; D1013-S1015 PolarHBondContact OD1-OG 3.01Å
1016	L	86.5	Confident	80.4	Confident	83 Å²	83	65.8 Å²	65.8	44%	0.435	35%	0.354	S	S	.	.	B	Isolated β-bridge	trans	-92.3	123	173.5	178.3	62.7	0	0	0	108.8	D1007	D1007-L1016 HydrophobicContact CB-CD1 4.06Å
1017	V	86.7	Confident	80.7	Confident	10 Å²	10	58.9 Å²	58.9	6%	0.061	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-88.8	119.5	174.3	-175.7	0	0	0	0	108.6	F1009 N1019 T1030 I1031 L1034 F1035	F1009-V1017 HydrophobicContact CB-CB 3.97Å; F1009-V1017 PolarHBondContact O-N 2.94Å; V1017-N1019 PolarHBondContact O-N 2.89Å; V1017-T1030 HydrophobicContact CG1-CG2 3.75Å; V1017-I1031 HydrophobicContact CG1-CD1 4.02Å; V1017-L1034 HydrophobicContact CG1-CB 4.36Å; V1017-L1034 HydrophobicContact CG2-CB 3.69Å; V1017-F1035 HydrophobicContact CG2-CB 4.07Å
1018	A	77	Confident	80.9	Confident	86 Å²	86	59 Å²	59	71%	0.711	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-59.5	124.9	-178.4	0	0	0	0	0	111.2	S1020	A1018-S1020 PolarHBondContact O-N 2.91Å
1019	N	67.6	Low	81	Confident	62 Å²	62	64.5 Å²	64.5	33%	0.332	35%	0.35	S	S	.	.			trans	-81.4	103.9	175.8	-171.7	4.1	0	0	0	109.7	F1009 V1017	F1009-N1019 HydrophobicContact CD2-CB 4.03Å; F1009-N1019 HydrophobicContact CE2-CB 4.11Å; V1017-N1019 PolarHBondContact O-N 2.89Å
1020	S	63.9	Low	81	Confident	57 Å²	57	66.7 Å²	66.7	40%	0.399	36%	0.364	S	S	.	.			trans	-88.4	123.4	166.4	78.7	0	0	0	0	109.1	A1018 T1022 Y1027	A1018-S1020 PolarHBondContact O-N 2.91Å; S1020-T1022 PolarHBondContact O-N 2.9Å; S1020-Y1027 VanDerWaalsContact O-CD2 3.3Å; S1020-Y1027 WeakPolarHBondContact O-CD2 3.26Å; S1020-Y1027 WeakPolarHBondContact O-CE2 3.37Å
1021	M	62	Low	81.1	Confident	180 Å²	180	66.4 Å²	66.4	89%	0.887	36%	0.362	S	S	*	.	S	Bend	trans	-65.3	-22.5	-170.6	-64.4	-167.2	84.7	0	0	114	R1023	M1021-R1023 PolarHBondContact O-N 2.86Å
1022	T	71	Confident	81.2	Confident	107 Å²	107	67.3 Å²	67.3	66%	0.656	37%	0.366	S	S	*	.	S	Bend	trans	-82.3	109.9	179.9	49.1	0	0	0	0	110.2	S1020 S1024	S1020-T1022 PolarHBondContact O-N 2.9Å; T1022-S1024 PolarHBondContact O-N 3.05Å
1023	R	70.2	Confident	81.4	Confident	119 Å²	119	69.1 Å²	69.1	45%	0.449	37%	0.374	S	S	.	.			trans	-62.3	107.1	170.6	-78.2	-175.2	-177.2	149.4	0.2	110.1	K809 M1021 Y1027	K809-R1023 PolarHBondContact O-NH2 2.83Å; M1021-R1023 PolarHBondContact O-N 2.86Å; R1023-Y1027 HydrophobicContact CG-CD1 4.23Å; R1023-Y1027 HydrophobicContact CG-CE1 4.14Å
1024	S	79.9	Confident	81.7	Confident	49 Å²	49	68.2 Å²	68.2	34%	0.343	37%	0.368	S	S	.	.			trans	-122.1	166.3	169.4	70.3	0	0	0	0	109.6	T1022 E1026 Y1027 S1028	T1022-S1024 PolarHBondContact O-N 3.05Å; S1024-E1026 PolarHBondContact O-N 2.78Å; S1024-E1026 PolarHBondContact OG-N 2.82Å; S1024-Y1027 WeakPolarHBondContact O-CB 3.41Å; S1024-Y1027 PolarHBondContact O-N 2.96Å; S1024-Y1027 VanDerWaalsContact O-N 3.16Å; S1024-Y1027 PolarHBondContact OG-N 3.44Å; S1024-Y1027 VanDerWaalsContact OG-N 3.07Å; S1024-S1028 PolarHBondContact O-N 3.33Å; S1024-S1028 PolarHBondContact O-OG 2.72Å
1025	E	81.1	Confident	82.3	Confident	55 Å²	55	66.4 Å²	66.4	26%	0.257	36%	0.356	S	S	.	.	H	α-helix	trans	-58.4	-36.6	172.5	-170.5	-166	151.4	0	0	112.1	S1028 R1029 L1073 D1074 K1077	E1025-S1028 PolarHBondContact O-N 2.87Å; E1025-R1029 WeakPolarHBondContact O-CB 3.22Å; E1025-R1029 PolarHBondContact O-N 3.13Å; E1025-R1029 IonicContact OE1-CZ 2.67Å; E1025-R1029 IonicContact OE1-NH2 3.09Å; E1025-R1029 PolarHBondContact OE1-NH2 3.24Å; E1025-L1073 HydrophobicContact CG-CB 4.13Å; E1025-D1074 HydrophobicContact CB-CB 4.2Å; E1025-D1074 HydrophobicContact CG-CB 4.18Å; E1025-K1077 VanDerWaalsContact OE2-CD 3.26Å; E1025-K1077 WeakPolarHBondContact OE2-CD 3.29Å; E1025-K1077 IonicContact OE2-NZ 3.94Å; E1025-K1077 PolarHBondContact OE2-NZ 3.37Å
1026	E	84.6	Confident	82.6	Confident	147 Å²	147	64 Å²	64	69%	0.687	34%	0.339	S	S	*	.	H	α-helix	trans	-64	-42	175.3	-175.7	179.1	-173.4	0	0	111.6	S1024 R1029 T1030	S1024-E1026 PolarHBondContact O-N 2.78Å; S1024-E1026 PolarHBondContact OG-N 2.82Å; E1026-R1029 PolarHBondContact O-N 3.22Å; E1026-T1030 WeakPolarHBondContact O-CB 3.31Å; E1026-T1030 PolarHBondContact O-N 2.81Å; E1026-T1030 PolarHBondContact O-OG1 2.86Å
1027	Y	85.7	Confident	82.9	Confident	18 Å²	18	61.3 Å²	61.3	7%	0.071	33%	0.328	C	S	.	.	H	α-helix	trans	-58.8	-52.4	172.2	167.1	-91.4	0	0	0	110.9	F1009 S1020 R1023 S1024 R1029 T1030 I1031	F1009-Y1027 WeakPolarHBondContact CZ-OH 2.88Å; S1020-Y1027 VanDerWaalsContact O-CD2 3.3Å; S1020-Y1027 WeakPolarHBondContact O-CD2 3.26Å; S1020-Y1027 WeakPolarHBondContact O-CE2 3.37Å; R1023-Y1027 HydrophobicContact CG-CD1 4.23Å; R1023-Y1027 HydrophobicContact CG-CE1 4.14Å; S1024-Y1027 WeakPolarHBondContact O-CB 3.41Å; S1024-Y1027 PolarHBondContact O-N 2.96Å; S1024-Y1027 VanDerWaalsContact O-N 3.16Å; S1024-Y1027 PolarHBondContact OG-N 3.44Å; S1024-Y1027 VanDerWaalsContact OG-N 3.07Å; Y1027-R1029 VanDerWaalsContact C-N 3.28Å; Y1027-R1029 PolarHBondContact O-N 2.86Å; Y1027-T1030 PolarHBondContact O-N 2.03Å; Y1027-T1030 VanDerWaalsContact O-N 3.14Å; Y1027-I1031 HydrophobicContact CD1-CG1 4.45Å; Y1027-I1031 HydrophobicContact CD2-CG1 4.18Å; Y1027-I1031 HydrophobicContact CE1-CG1 4.06Å; Y1027-I1031 HydrophobicContact CE2-CD1 4.12Å; Y1027-I1031 HydrophobicContact CE2-CG1 3.77Å; Y1027-I1031 WeakPolarHBondContact O-CG1 3.27Å; Y1027-I1031 PolarHBondContact O-N 2.81Å
1028	S	87.6	Confident	83.2	Confident	15 Å²	15	64.6 Å²	64.6	11%	0.105	34%	0.341	C	S	.	.	H	α-helix	trans	-58.1	-41.4	178.9	-64.7	0	0	0	0	111.8	S1024 E1025 H1032 L1073	S1024-S1028 PolarHBondContact O-N 3.33Å; S1024-S1028 PolarHBondContact O-OG 2.72Å; E1025-S1028 PolarHBondContact O-N 2.87Å; S1028-H1032 WeakPolarHBondContact O-CB 3.36Å; S1028-H1032 PolarHBondContact O-N 3.27Å; S1028-L1073 WeakPolarHBondContact CB-O 3.45Å; S1028-L1073 PolarHBondContact OG-O 2.88Å
1029	R	89.3	Confident	84	Confident	114 Å²	114	60.8 Å²	60.8	43%	0.43	31%	0.308	S	S	.	.	H	α-helix	trans	-63	-43.9	176.5	-165.7	175.9	-62.9	-83	0.3	112.2	E1025 E1026 Y1027 H1032 N1033 L1073	E1025-R1029 WeakPolarHBondContact O-CB 3.22Å; E1025-R1029 PolarHBondContact O-N 3.13Å; E1025-R1029 IonicContact OE1-CZ 2.67Å; E1025-R1029 IonicContact OE1-NH2 3.09Å; E1025-R1029 PolarHBondContact OE1-NH2 3.24Å; E1026-R1029 PolarHBondContact O-N 3.22Å; Y1027-R1029 VanDerWaalsContact C-N 3.28Å; Y1027-R1029 PolarHBondContact O-N 2.86Å; R1029-H1032 PolarHBondContact O-N 3.06Å; R1029-N1033 WeakPolarHBondContact O-CB 3.29Å; R1029-N1033 PolarHBondContact O-N 2.92Å; R1029-L1073 HydrophobicContact CB-CD1 3.7Å; R1029-L1073 HydrophobicContact CG-CD1 3.86Å
1030	T	90.6	Very high	85.2	Confident	49 Å²	49	61.8 Å²	61.8	30%	0.301	31%	0.308	S	S	.	.	H	α-helix	trans	-64.8	-50.6	-179.7	-58.3	0	0	0	0	110.6	V1017 E1026 Y1027 H1032 N1033 L1034	V1017-T1030 HydrophobicContact CG1-CG2 3.75Å; E1026-T1030 WeakPolarHBondContact O-CB 3.31Å; E1026-T1030 PolarHBondContact O-N 2.81Å; E1026-T1030 PolarHBondContact O-OG1 2.86Å; Y1027-T1030 PolarHBondContact O-N 2.03Å; Y1027-T1030 VanDerWaalsContact O-N 3.14Å; T1030-H1032 VanDerWaalsContact C-N 3.33Å; T1030-H1032 PolarHBondContact O-N 3.24Å; T1030-N1033 PolarHBondContact O-N 3.31Å; T1030-L1034 HydrophobicContact CG2-CD1 3.82Å; T1030-L1034 HydrophobicContact CG2-CG 4.38Å; T1030-L1034 VanDerWaalsContact O-CB 3.32Å; T1030-L1034 WeakPolarHBondContact O-CB 3.37Å; T1030-L1034 PolarHBondContact O-N 2.79Å
1031	I	91.2	Very high	86.4	Confident	2 Å²	2	59.3 Å²	59.3	1%	0.01	29%	0.29	C	S	.	.	I	π-helix	trans	-62	-42	177	-62.3	-56.1	0	0	0	111.1	Y810 F1009 V1017 Y1027 F1035 G1036	Y810-I1031 HydrophobicContact CD2-CG2 3.65Å; Y810-I1031 HydrophobicContact CE2-CG2 4.2Å; Y810-I1031 HydrophobicContact CG-CG2 4.35Å; F1009-I1031 HydrophobicContact CB-CD1 4.41Å; F1009-I1031 HydrophobicContact CD1-CD1 4.03Å; F1009-I1031 HydrophobicContact CD1-CG2 4.36Å; F1009-I1031 HydrophobicContact CD2-CD1 3.51Å; F1009-I1031 HydrophobicContact CE1-CD1 4.12Å; F1009-I1031 HydrophobicContact CE1-CG2 4.04Å; F1009-I1031 HydrophobicContact CE2-CD1 3.6Å; F1009-I1031 HydrophobicContact CE2-CG1 4.41Å; F1009-I1031 HydrophobicContact CG-CD1 3.73Å; F1009-I1031 HydrophobicContact CZ-CD1 3.91Å; F1009-I1031 HydrophobicContact CZ-CG1 4.39Å; F1009-I1031 HydrophobicContact CZ-CG2 4.47Å; V1017-I1031 HydrophobicContact CG1-CD1 4.02Å; Y1027-I1031 HydrophobicContact CD1-CG1 4.45Å; Y1027-I1031 HydrophobicContact CD2-CG1 4.18Å; Y1027-I1031 HydrophobicContact CE1-CG1 4.06Å; Y1027-I1031 HydrophobicContact CE2-CD1 4.12Å; Y1027-I1031 HydrophobicContact CE2-CG1 3.77Å; Y1027-I1031 WeakPolarHBondContact O-CG1 3.27Å; Y1027-I1031 PolarHBondContact O-N 2.81Å; I1031-F1035 HydrophobicContact CG2-CD1 4.16Å; I1031-F1035 WeakPolarHBondContact O-CB 3.33Å; I1031-F1035 PolarHBondContact O-N 2.84Å; I1031-G1036 PolarHBondContact O-N 3.38Å
1032	H	91.6	Very high	87.5	Confident	19 Å²	19	57 Å²	57	9%	0.088	28%	0.277	C	S	.	.	I	π-helix	trans	-59.2	-55.4	177.2	179.6	-82.7	0	0	0	111.7	F812 N813 S1028 R1029 T1030 G1036 S1037 L1073	F812-H1032 HydrophobicContact CD2-CB 4.44Å; F812-H1032 AromaticContact CD2-CD2 3.45Å; F812-H1032 VanDerWaalsContact CD2-CD2 3.45Å; F812-H1032 WeakPolarHBondContact CD2-CD2 3.39Å; F812-H1032 AromaticContact CE2-CD2 3.5Å; F812-H1032 AromaticContact CE2-NE2 3.61Å; N813-H1032 PolarHBondContact O-CD2 3.08Å; N813-H1032 PolarHBondContact O-NE2 2.8Å; S1028-H1032 WeakPolarHBondContact O-CB 3.36Å; S1028-H1032 PolarHBondContact O-N 3.27Å; R1029-H1032 PolarHBondContact O-N 3.06Å; T1030-H1032 VanDerWaalsContact C-N 3.33Å; T1030-H1032 PolarHBondContact O-N 3.24Å; H1032-G1036 PolarHBondContact O-N 3.04Å; H1032-S1037 PolarHBondContact CE1-OG 3.49Å; H1032-S1037 WeakPolarHBondContact O-CB 3.29Å; H1032-S1037 PolarHBondContact O-N 2.84Å; H1032-S1037 PolarHBondContact O-OG 2.88Å; H1032-L1073 HydrophobicContact CB-CD2 4.15Å
1033	N	90.8	Very high	88.1	Confident	80 Å²	80	56.1 Å²	56.1	43%	0.428	27%	0.266	S	S	.	.	I	π-helix	trans	-79.6	-39.8	-170.3	-67.2	-14.9	0	0	0	113.9	R1029 T1030	R1029-N1033 WeakPolarHBondContact O-CB 3.29Å; R1029-N1033 PolarHBondContact O-N 2.92Å; T1030-N1033 PolarHBondContact O-N 3.31Å
1034	L	91.7	Very high	88.8	Confident	91 Å²	91	51.6 Å²	51.6	48%	0.476	25%	0.251	S	S	.	.	I	π-helix	trans	-92.4	-20.2	-173.1	-57.3	-173.3	0	0	0	113.2	V1017 T1030 K1038	V1017-L1034 HydrophobicContact CG1-CB 4.36Å; V1017-L1034 HydrophobicContact CG2-CB 3.69Å; T1030-L1034 HydrophobicContact CG2-CD1 3.82Å; T1030-L1034 HydrophobicContact CG2-CG 4.38Å; T1030-L1034 VanDerWaalsContact O-CB 3.32Å; T1030-L1034 WeakPolarHBondContact O-CB 3.37Å; T1030-L1034 PolarHBondContact O-N 2.79Å; L1034-K1038 WeakPolarHBondContact O-CG 3.3Å
1035	F	93.6	Very high	88.6	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	28%	0.277	C	S	.	.	I	π-helix	trans	-119.5	-65.7	179.6	170.8	-103.9	0	0	0	112.4	Y810 G996 L997 D1008 F1009 T1010 V1017 I1031 S1037 K1038 W1039	Y810-F1035 HydrophobicContact CE1-CE1 4.35Å; Y810-F1035 HydrophobicContact CE2-CD1 4.38Å; Y810-F1035 HydrophobicContact CE2-CE1 4.08Å; Y810-F1035 AromaticContact CZ-CE1 3.77Å; G996-F1035 WeakPolarHBondContact O-CZ 3.29Å; L997-F1035 HydrophobicContact CD2-CE1 4.24Å; D1008-F1035 WeakPolarHBondContact O-CE2 3.44Å; D1008-F1035 WeakPolarHBondContact O-CZ 3.35Å; F1009-F1035 HydrophobicContact CB-CD2 4.11Å; F1009-F1035 HydrophobicContact CB-CE2 4.48Å; F1009-F1035 HydrophobicContact CB-CG 4.2Å; F1009-F1035 AromaticContact CD1-CD1 3.66Å; F1009-F1035 HydrophobicContact CD1-CD1 3.66Å; F1009-F1035 HydrophobicContact CD1-CD2 4.41Å; F1009-F1035 AromaticContact CD1-CE1 3.7Å; F1009-F1035 HydrophobicContact CD1-CE1 3.7Å; F1009-F1035 HydrophobicContact CD1-CE2 4.43Å; F1009-F1035 HydrophobicContact CD1-CG 4.03Å; F1009-F1035 HydrophobicContact CD1-CZ 4.09Å; F1009-F1035 HydrophobicContact CE1-CD1 4.32Å; F1009-F1035 HydrophobicContact CE1-CE1 4.24Å; T1010-F1035 VanDerWaalsContact O-CE2 3.29Å; T1010-F1035 WeakPolarHBondContact O-CE2 3.33Å; V1017-F1035 HydrophobicContact CG2-CB 4.07Å; I1031-F1035 HydrophobicContact CG2-CD1 4.16Å; I1031-F1035 WeakPolarHBondContact O-CB 3.33Å; I1031-F1035 PolarHBondContact O-N 2.84Å; F1035-S1037 PolarHBondContact O-N 3.14Å; F1035-K1038 WeakPolarHBondContact O-CB 3.48Å; F1035-K1038 PolarHBondContact O-N 2.95Å; F1035-K1038 VanDerWaalsContact O-N 3.17Å; F1035-W1039 AromaticContact CD2-CD1 3.98Å; F1035-W1039 AromaticContact CD2-NE1 3.57Å; F1035-W1039 AromaticContact CE2-CD1 3.73Å; F1035-W1039 AromaticContact CE2-NE1 3.11Å; F1035-W1039 AromaticContact CZ-CD1 3.97Å; F1035-W1039 AromaticContact CZ-NE1 3.66Å; F1035-W1039 VanDerWaalsContact O-CD1 3.29Å
1036	G	93	Very high	88.5	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	27%	0.274	C	S	.	.	I	π-helix	trans	-61.7	-47.9	-169.5	0	0	0	0	0	113.6	F812 I1031 H1032 K1038 W1039	F812-G1036 WeakPolarHBondContact CZ-O 3.49Å; I1031-G1036 PolarHBondContact O-N 3.38Å; H1032-G1036 PolarHBondContact O-N 3.04Å; G1036-K1038 PolarHBondContact O-N 2.8Å; G1036-W1039 PolarHBondContact O-N 3.19Å
1037	S	92.2	Very high	88.5	Confident	28 Å²	28	57.2 Å²	57.2	20%	0.196	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-61.6	-31.2	178.6	-64.3	0	0	0	0	112.8	F812 H1032 F1035 W1039 R1040	F812-S1037 VanDerWaalsContact CE2-N 3.32Å; H1032-S1037 PolarHBondContact CE1-OG 3.49Å; H1032-S1037 WeakPolarHBondContact O-CB 3.29Å; H1032-S1037 PolarHBondContact O-N 2.84Å; H1032-S1037 PolarHBondContact O-OG 2.88Å; F1035-S1037 PolarHBondContact O-N 3.14Å; S1037-W1039 VanDerWaalsContact C-N 3.26Å; S1037-W1039 PolarHBondContact O-N 3.27Å; S1037-R1040 WeakPolarHBondContact O-CB 3.08Å; S1037-R1040 PolarHBondContact O-N 3.36Å
1038	K	92.3	Very high	88.7	Confident	78 Å²	78	59.6 Å²	59.6	34%	0.339	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-67.3	-25.6	-179.9	-61.4	-62.1	-172.4	179.5	0	113.2	A1011 P1012 L1034 F1035 G1036 R1040 E1043	A1011-K1038 HydrophobicContact CB-CB 4.34Å; A1011-K1038 HydrophobicContact CB-CG 4.46Å; P1012-K1038 HydrophobicContact CG-CB 4.25Å; P1012-K1038 WeakPolarHBondContact CG-O 3.39Å; L1034-K1038 WeakPolarHBondContact O-CG 3.3Å; F1035-K1038 WeakPolarHBondContact O-CB 3.48Å; F1035-K1038 PolarHBondContact O-N 2.95Å; F1035-K1038 VanDerWaalsContact O-N 3.17Å; G1036-K1038 PolarHBondContact O-N 2.8Å; K1038-R1040 PolarHBondContact O-N 3.4Å; K1038-E1043 WeakPolarHBondContact CD-OE2 3.46Å
1039	W	94	Very high	88.9	Confident	6 Å²	6	59.4 Å²	59.4	2%	0.023	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-78.8	10.5	178.2	-74.8	107.1	0	0	0	114.3	F818 V819 M995 L997 T1010 P1012 F1035 G1036 S1037 T1041 V1044	F818-W1039 WeakPolarHBondContact CA-O 3.41Å; V819-W1039 HydrophobicContact CB-CE3 3.94Å; V819-W1039 HydrophobicContact CG1-CE3 4Å; V819-W1039 HydrophobicContact CG1-CZ3 4.19Å; V819-W1039 PolarHBondContact N-O 3.36Å; M995-W1039 HydrophobicContact CB-CH2 3.66Å; M995-W1039 HydrophobicContact CB-CZ2 4.02Å; L997-W1039 HydrophobicContact CD2-CB 3.97Å; L997-W1039 HydrophobicContact CD2-CG 4.23Å; L997-W1039 HydrophobicContact CG-CB 4.02Å; L997-W1039 HydrophobicContact CG-CG 4.37Å; T1010-W1039 VanDerWaalsContact O-CZ2 3.28Å; T1010-W1039 WeakPolarHBondContact O-CZ2 3.08Å; T1010-W1039 PolarHBondContact O-NE1 3.42Å; P1012-W1039 HydrophobicContact CB-CH2 4.48Å; P1012-W1039 HydrophobicContact CB-CZ3 4.36Å; P1012-W1039 HydrophobicContact CG-CD2 3.67Å; P1012-W1039 HydrophobicContact CG-CE3 3.7Å; P1012-W1039 HydrophobicContact CG-CG 4.19Å; P1012-W1039 HydrophobicContact CG-CH2 4.22Å; P1012-W1039 HydrophobicContact CG-CZ2 4.19Å; P1012-W1039 HydrophobicContact CG-CZ3 3.98Å; F1035-W1039 AromaticContact CD2-CD1 3.98Å; F1035-W1039 AromaticContact CD2-NE1 3.57Å; F1035-W1039 AromaticContact CE2-CD1 3.73Å; F1035-W1039 AromaticContact CE2-NE1 3.11Å; F1035-W1039 AromaticContact CZ-CD1 3.97Å; F1035-W1039 AromaticContact CZ-NE1 3.66Å; F1035-W1039 VanDerWaalsContact O-CD1 3.29Å; G1036-W1039 PolarHBondContact O-N 3.19Å; S1037-W1039 VanDerWaalsContact C-N 3.26Å; S1037-W1039 PolarHBondContact O-N 3.27Å; W1039-T1041 PolarHBondContact O-N 3.41Å; W1039-V1044 HydrophobicContact CE3-CG2 3.92Å; W1039-V1044 HydrophobicContact CZ3-CG1 4.44Å; W1039-V1044 HydrophobicContact CZ3-CG2 4.47Å
1040	R	92.8	Very high	89	Confident	84 Å²	84	54.8 Å²	54.8	32%	0.317	27%	0.266	S	S	.	.	B	Isolated β-bridge	trans	-60.3	134.4	170.9	-175.4	176	-76.6	177.6	-5.7	109.9	R815 H817 F818 S1037 K1038 E1042 E1043 V1044	R815-R1040 PolarHBondContact O-NH2 3.07Å; H817-R1040 WeakPolarHBondContact O-CA 3.31Å; F818-R1040 HydrophobicContact CD1-CB 4.13Å; F818-R1040 HydrophobicContact CE1-CB 3.86Å; F818-R1040 HydrophobicContact CE1-CG 4.47Å; S1037-R1040 WeakPolarHBondContact O-CB 3.08Å; S1037-R1040 PolarHBondContact O-N 3.36Å; K1038-R1040 PolarHBondContact O-N 3.4Å; R1040-E1042 HydrophobicContact CG-CB 4.4Å; R1040-E1042 PolarHBondContact O-N 3.31Å; R1040-E1042 VanDerWaalsContact O-N 3.11Å; R1040-E1043 HydrophobicContact CB-CG 4.32Å; R1040-E1043 PolarHBondContact O-N 3.49Å; R1040-V1044 WeakPolarHBondContact O-CG2 3.08Å; R1040-V1044 PolarHBondContact O-N 3.18Å
1041	T	90	Very high	88.5	Confident	4 Å²	4	54.7 Å²	54.7	3%	0.025	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-33.6	-173.1	50.5	0	0	0	0	113.5	H817 V819 Q833 W1039	H817-T1041 HydrophobicContact CB-CG2 3.94Å; H817-T1041 WeakPolarHBondContact CB-OG1 3.12Å; H817-T1041 PolarHBondContact O-N 3.02Å; H817-T1041 PolarHBondContact O-OG1 2.79Å; V819-T1041 HydrophobicContact CG2-CG2 3.93Å; Q833-T1041 HydrophobicContact CG-CG2 4.01Å; W1039-T1041 PolarHBondContact O-N 3.41Å
1042	E	84.8	Confident	87.6	Confident	133 Å²	133	61.9 Å²	61.9	62%	0.621	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-34.6	177.4	-64.2	167.4	179.1	0	0	112.6	R1040	R1040-E1042 HydrophobicContact CG-CB 4.4Å; R1040-E1042 PolarHBondContact O-N 3.31Å; R1040-E1042 VanDerWaalsContact O-N 3.11Å
1043	E	83.3	Confident	86.8	Confident	88 Å²	88	66.8 Å²	66.8	41%	0.411	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-36.3	-179.1	-64.5	-171.8	-157.7	0	0	112.1	K1038 R1040 R1045	K1038-E1043 WeakPolarHBondContact CD-OE2 3.46Å; R1040-E1043 HydrophobicContact CB-CG 4.32Å; R1040-E1043 PolarHBondContact O-N 3.49Å; E1043-R1045 PolarHBondContact O-N 3.39Å
1044	V	84.9	Confident	86.2	Confident	24 Å²	24	64.9 Å²	64.9	15%	0.145	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-11.1	-176.9	-178.7	0	0	0	0	112.6	V819 L822 P1012 W1039 R1040 T1046	V819-V1044 HydrophobicContact CG2-CB 4.39Å; V819-V1044 HydrophobicContact CG2-CG1 4.4Å; V819-V1044 HydrophobicContact CG2-CG2 4.19Å; L822-V1044 HydrophobicContact CD2-CG1 3.86Å; P1012-V1044 HydrophobicContact CB-CG2 4.06Å; P1012-V1044 HydrophobicContact CG-CG2 3.68Å; W1039-V1044 HydrophobicContact CE3-CG2 3.92Å; W1039-V1044 HydrophobicContact CZ3-CG1 4.44Å; W1039-V1044 HydrophobicContact CZ3-CG2 4.47Å; R1040-V1044 WeakPolarHBondContact O-CG2 3.08Å; R1040-V1044 PolarHBondContact O-N 3.18Å; V1044-T1046 HydrophobicContact CB-CG2 4.14Å; V1044-T1046 HydrophobicContact CG1-CG2 4.02Å; V1044-T1046 PolarHBondContact O-N 2.8Å
1045	R	74.6	Confident	85.7	Confident	237 Å²	237	65.4 Å²	65.4	89%	0.894	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	35.1	-174.8	-62.7	-176.7	-79.6	-169	-6.6	113	E1043	E1043-R1045 PolarHBondContact O-N 3.39Å
1046	T	79.3	Confident	85.2	Confident	32 Å²	32	65.6 Å²	65.6	20%	0.196	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-101.3	159.4	173.6	-171.8	0	0	0	0	110.7	V819 V1044 N1048	V819-T1046 HydrophobicContact CG2-CG2 3.83Å; V1044-T1046 HydrophobicContact CB-CG2 4.14Å; V1044-T1046 HydrophobicContact CG1-CG2 4.02Å; V1044-T1046 PolarHBondContact O-N 2.8Å; T1046-N1048 PolarHBondContact O-N 2.92Å
1047	T	85.1	Confident	84.7	Confident	100 Å²	100	66.5 Å²	66.5	61%	0.613	32%	0.32	S	S	*	.	P	Polyproline II helix	trans	-68.3	123.6	175.6	52.6	0	0	0	0	110	Q833 L1049	Q833-T1047 PolarHBondContact NE2-O 2.64Å; T1047-L1049 PolarHBondContact O-N 3.18Å
1048	N	89.4	Confident	84	Confident	67 Å²	67	67.2 Å²	67.2	36%	0.358	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-68.6	121.3	170.5	-166.9	-15.5	0	0	0	109	H817 Q833 T1046 F1050	H817-N1048 PolarHBondContact ND1-ND2 3.46Å; Q833-N1048 PolarHBondContact OE1-OD1 3.13Å; T1046-N1048 PolarHBondContact O-N 2.92Å; N1048-F1050 VanDerWaalsContact C-N 3.33Å; N1048-F1050 WeakPolarHBondContact OD1-CB 3.39Å; N1048-F1050 WeakPolarHBondContact OD1-CD2 3.36Å; N1048-F1050 PolarHBondContact OD1-N 2.87Å
1049	L	92.9	Very high	83.2	Confident	12 Å²	12	65.8 Å²	65.8	6%	0.063	31%	0.311	C	S	.	.			trans	-85.9	-9.7	179.2	-61.8	-179.8	0	0	0	112	T831 S865 R867 I873 Q875 T1047	T831-L1049 HydrophobicContact CG2-CD1 3.88Å; T831-L1049 HydrophobicContact CG2-CG 4.48Å; S865-L1049 WeakPolarHBondContact OG-CB 3.25Å; R867-L1049 HydrophobicContact CB-CD1 3.68Å; R867-L1049 HydrophobicContact CB-CD2 4.2Å; I873-L1049 HydrophobicContact CD1-CD2 4.04Å; I873-L1049 HydrophobicContact CG1-CD2 4.42Å; I873-L1049 HydrophobicContact CG2-CB 4.26Å; Q875-L1049 PolarHBondContact NE2-O 2.84Å; T1047-L1049 PolarHBondContact O-N 3.18Å
1050	F	91.4	Very high	82.3	Confident	17 Å²	17	66.4 Å²	66.4	8%	0.075	32%	0.316	C	S	.	.			trans	-76.4	130.6	170.7	-67.2	-73.4	0	0	0	110.7	H817 Q833 R835 S865 F877 N1048	H817-F1050 HydrophobicContact CB-CD2 4.27Å; H817-F1050 AromaticContact CD2-CD2 3.2Å; H817-F1050 WeakPolarHBondContact CD2-CD2 3.46Å; H817-F1050 AromaticContact CD2-CE2 3.64Å; H817-F1050 AromaticContact CD2-CG 3.72Å; H817-F1050 AromaticContact CG-CD2 3.87Å; H817-F1050 AromaticContact NE2-CD2 3.9Å; H817-F1050 AromaticContact NE2-CG 3.94Å; Q833-F1050 HydrophobicContact CB-CD2 4.38Å; Q833-F1050 HydrophobicContact CB-CE2 3.76Å; R835-F1050 HydrophobicContact CB-CE1 4.17Å; R835-F1050 HydrophobicContact CB-CE2 4.26Å; R835-F1050 HydrophobicContact CB-CZ 3.88Å; S865-F1050 WeakPolarHBondContact OG-CE2 3.04Å; S865-F1050 WeakPolarHBondContact OG-CZ 3.31Å; F877-F1050 AromaticContact CE1-CD1 3.86Å; F877-F1050 HydrophobicContact CE1-CD1 3.86Å; F877-F1050 AromaticContact CE1-CE1 3.8Å; F877-F1050 HydrophobicContact CE1-CE1 3.8Å; F877-F1050 AromaticContact CZ-CD1 3.79Å; F877-F1050 HydrophobicContact CZ-CD1 3.79Å; F877-F1050 HydrophobicContact CZ-CE1 4.01Å; N1048-F1050 VanDerWaalsContact C-N 3.33Å; N1048-F1050 WeakPolarHBondContact OD1-CB 3.39Å; N1048-F1050 WeakPolarHBondContact OD1-CD2 3.36Å; N1048-F1050 PolarHBondContact OD1-N 2.87Å
1051	S	79.5	Confident	81.3	Confident	47 Å²	47	65.8 Å²	65.8	33%	0.329	33%	0.325	S	S	.	.			trans	-78.4	164.3	168.9	39.8	0	0	0	0	110.8	Q875 F1053	Q875-S1051 VanDerWaalsContact NE2-N 3.19Å; Q875-S1051 PolarHBondContact NE2-OG 2.82Å; Q875-S1051 PolarHBondContact OE1-OG 2.78Å; S1051-F1053 WeakPolarHBondContact CB-O 3.45Å; S1051-F1053 PolarHBondContact O-N 2.91Å; S1051-F1053 PolarHBondContact OG-O 2.99Å
1052	Q	72.8	Confident	80.5	Confident	152 Å²	152	68.6 Å²	68.6	71%	0.71	34%	0.339	S	S	*	.	S	Bend	trans	-58.2	-34	175.9	-172.9	179.1	11.9	0	0	112.4
1053	F	74	Confident	80.3	Confident	122 Å²	122	62.9 Å²	62.9	54%	0.535	31%	0.312	S	S	.	.			trans	-114.5	144.1	174	-63.8	-80	0	0	0	110.6	S1051 Q1055	S1051-F1053 WeakPolarHBondContact CB-O 3.45Å; S1051-F1053 PolarHBondContact O-N 2.91Å; S1051-F1053 PolarHBondContact OG-O 2.99Å; F1053-Q1055 HydrophobicContact CD1-CG 4.1Å; F1053-Q1055 HydrophobicContact CE1-CG 4.1Å
1054	P	79.6	Confident	79.8	Confident	40 Å²	40	65 Å²	65	26%	0.26	32%	0.317	S	S	.	.	S	Bend	cis	-70.4	147.9	-2.9	29.6	-34.3	0	0	0	112.2	R835 F877	R835-P1054 VanDerWaalsContact CZ-O 3.32Å; R835-P1054 PolarHBondContact NH1-O 3.1Å; R835-P1054 PolarHBondContact NH2-O 3.13Å; F877-P1054 HydrophobicContact CD1-CG 3.96Å; F877-P1054 HydrophobicContact CD2-CG 3.51Å; F877-P1054 HydrophobicContact CE1-CG 3.96Å; F877-P1054 VanDerWaalsContact CE2-CD 3.44Å; F877-P1054 HydrophobicContact CE2-CG 3.48Å; F877-P1054 VanDerWaalsContact CE2-CG 3.48Å; F877-P1054 HydrophobicContact CG-CG 3.74Å; F877-P1054 HydrophobicContact CZ-CG 3.7Å
1055	Q	80.4	Confident	79.1	Confident	102 Å²	102	66.3 Å²	66.3	48%	0.477	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-65.7	163.3	173.5	-71.1	-174.4	-3	0	0	111.2	R835 F1053 P1060	R835-Q1055 VanDerWaalsContact NH1-C 3.32Å; R835-Q1055 PolarHBondContact NH1-O 3.25Å; R835-Q1055 VanDerWaalsContact NH1-O 3.16Å; F1053-Q1055 HydrophobicContact CD1-CG 4.1Å; F1053-Q1055 HydrophobicContact CE1-CG 4.1Å; Q1055-P1060 HydrophobicContact CB-CG 4.4Å
1056	P	83	Confident	78.6	Confident	5 Å²	5	64.2 Å²	64.2	3%	0.032	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-49.8	143.3	171.3	-27.2	35.8	0	0	0	112.3	E837 P1060 F1063 Y1064	E837-P1056 HydrophobicContact CG-CB 4.42Å; E837-P1056 WeakPolarHBondContact OE1-CA 3.48Å; E837-P1056 WeakPolarHBondContact OE2-CB 3.48Å; P1056-P1060 WeakPolarHBondContact O-CG 3.49Å; P1056-F1063 HydrophobicContact CB-CB 4Å; P1056-F1063 HydrophobicContact CB-CD1 4.49Å; P1056-F1063 HydrophobicContact CB-CD2 4.04Å; P1056-F1063 HydrophobicContact CB-CG 3.92Å; P1056-F1063 HydrophobicContact CG-CB 3.72Å; P1056-F1063 HydrophobicContact CG-CD1 3.59Å; P1056-F1063 HydrophobicContact CG-CD2 4.01Å; P1056-F1063 HydrophobicContact CG-CE1 4.18Å; P1056-F1063 HydrophobicContact CG-CG 3.49Å; P1056-F1063 VanDerWaalsContact CG-CG 3.49Å; P1056-Y1064 HydrophobicContact CG-CE2 4.22Å
1057	L	82	Confident	77.9	Confident	19 Å²	19	65.1 Å²	65.1	10%	0.099	34%	0.339	C	S	.	.	S	Bend	trans	-68.9	-41.3	-171.3	-171.3	66.6	0	0	0	113.5	E837 T862 K880	E837-L1057 PolarHBondContact OE1-N 3.48Å; E837-L1057 PolarHBondContact OE2-N 2.82Å; T862-L1057 HydrophobicContact CG2-CB 4.45Å; T862-L1057 HydrophobicContact CG2-CD2 4.34Å; K880-L1057 HydrophobicContact CB-CD1 4.27Å; K880-L1057 HydrophobicContact CD-CD1 4.4Å; K880-L1057 WeakPolarHBondContact CE-O 3.29Å; K880-L1057 HydrophobicContact CG-CD1 3.33Å; K880-L1057 HydrophobicContact CG-CG 4.28Å
1058	Y	77.9	Confident	77	Confident	43 Å²	43	66 Å²	66	17%	0.169	34%	0.344	C	S	.	.	S	Bend	trans	-103.4	-60.1	-169.3	-57.3	-60.5	0	0	0	113	E837 Q838 P839 P840 V860 T862	E837-Y1058 HydrophobicContact CB-CD2 4.04Å; E837-Y1058 PolarHBondContact OE2-N 2.71Å; E837-Y1058 VanDerWaalsContact OE2-N 3.08Å; Q838-Y1058 WeakPolarHBondContact O-CD2 3.3Å; P839-Y1058 HydrophobicContact CB-CD2 4.48Å; P839-Y1058 HydrophobicContact CB-CE2 3.97Å; P840-Y1058 HydrophobicContact CG-CD1 3.89Å; P840-Y1058 HydrophobicContact CG-CE1 4.13Å; P840-Y1058 HydrophobicContact CG-CG 4.49Å; V860-Y1058 HydrophobicContact CG2-CE2 4.26Å; T862-Y1058 HydrophobicContact CG2-CE2 3.95Å
1059	Y	75.5	Confident	76.4	Confident	48 Å²	48	64.5 Å²	64.5	19%	0.188	33%	0.334	C	S	.	.			trans	-133	78.4	-175	-57	-76.5	0	0	0	111.9	P143 P840 D855 S1061 L1062 F1063	P143-Y1059 HydrophobicContact CG-CD1 3.48Å; P143-Y1059 VanDerWaalsContact CG-CD1 3.48Å; P143-Y1059 HydrophobicContact CG-CE1 3.76Å; P840-Y1059 HydrophobicContact CB-CE2 4.4Å; D855-Y1059 VanDerWaalsContact CG-CE2 3.48Å; D855-Y1059 VanDerWaalsContact OD1-CE2 3.25Å; D855-Y1059 WeakPolarHBondContact OD1-CE2 3.39Å; D855-Y1059 VanDerWaalsContact OD1-CZ 3.25Å; D855-Y1059 PolarHBondContact OD1-OH 2.78Å; D855-Y1059 VanDerWaalsContact OD2-CE2 3.32Å; D855-Y1059 WeakPolarHBondContact OD2-CE2 3.35Å; Y1059-S1061 VanDerWaalsContact C-N 3.3Å; Y1059-S1061 PolarHBondContact O-N 2.84Å; Y1059-L1062 HydrophobicContact CD1-CD1 4.21Å; Y1059-L1062 HydrophobicContact CG-CD1 4.16Å; Y1059-L1062 PolarHBondContact O-N 3.26Å; Y1059-F1063 WeakPolarHBondContact O-CB 3.32Å; Y1059-F1063 PolarHBondContact O-N 3.45Å
1060	P	74.6	Confident	75.8	Confident	18 Å²	18	69.8 Å²	69.8	12%	0.117	36%	0.363	C	S	.	.	H	α-helix	trans	-53.7	-40.5	-178.9	-26.3	33	0	0	0	114.8	W142 Q1055 P1056 Y1064	W142-P1060 HydrophobicContact CZ3-CG 4.04Å; Q1055-P1060 HydrophobicContact CB-CG 4.4Å; P1056-P1060 WeakPolarHBondContact O-CG 3.49Å; P1060-Y1064 WeakPolarHBondContact O-CD2 3.28Å
1061	S	72.7	Confident	75.4	Confident	72 Å²	72	70.2 Å²	70.2	50%	0.503	37%	0.367	S	S	.	.	H	α-helix	trans	-69.1	-43	-179.3	51.5	0	0	0	0	112.4	Y1059	Y1059-S1061 VanDerWaalsContact C-N 3.3Å; Y1059-S1061 PolarHBondContact O-N 2.84Å
1062	L	72	Confident	75.6	Confident	62 Å²	62	68.5 Å²	68.5	33%	0.325	35%	0.354	S	S	.	.	H	α-helix	trans	-76.8	-24.9	178.4	-65.4	172.9	0	0	0	112.8	R815 Y1059 Y1064 S1065	R815-L1062 VanDerWaalsContact CZ-O 3.26Å; R815-L1062 PolarHBondContact NE-O 2.8Å; R815-L1062 PolarHBondContact NH2-O 3.23Å; R815-L1062 VanDerWaalsContact NH2-O 3.15Å; Y1059-L1062 HydrophobicContact CD1-CD1 4.21Å; Y1059-L1062 HydrophobicContact CG-CD1 4.16Å; Y1059-L1062 PolarHBondContact O-N 3.26Å; L1062-Y1064 VanDerWaalsContact C-N 3.28Å; L1062-Y1064 PolarHBondContact O-N 2.87Å; L1062-S1065 WeakPolarHBondContact O-CB 3.41Å; L1062-S1065 PolarHBondContact O-N 3.44Å; L1062-S1065 VanDerWaalsContact O-N 3.13Å
1063	F	80.9	Confident	76.1	Confident	14 Å²	14	62.4 Å²	62.4	6%	0.061	33%	0.327	C	S	.	.	H	α-helix	trans	-57.2	-42.2	-179.1	-176.5	-94.2	0	0	0	112.2	R815 G816 H817 R835 T836 E837 P1056 Y1059	R815-F1063 HydrophobicContact CG-CD2 4.07Å; R815-F1063 HydrophobicContact CG-CE2 4.44Å; G816-F1063 VanDerWaalsContact CA-CZ 3.44Å; H817-F1063 AromaticContact CE1-CE1 3.63Å; H817-F1063 AromaticContact NE2-CE1 4Å; H817-F1063 AromaticContact NE2-CZ 3.99Å; R835-F1063 HydrophobicContact CG-CE2 4.02Å; R835-F1063 HydrophobicContact CG-CZ 3.83Å; T836-F1063 WeakPolarHBondContact O-CE2 3.47Å; E837-F1063 HydrophobicContact CG-CD2 3.79Å; E837-F1063 HydrophobicContact CG-CE2 3.66Å; P1056-F1063 HydrophobicContact CB-CB 4Å; P1056-F1063 HydrophobicContact CB-CD1 4.49Å; P1056-F1063 HydrophobicContact CB-CD2 4.04Å; P1056-F1063 HydrophobicContact CB-CG 3.92Å; P1056-F1063 HydrophobicContact CG-CB 3.72Å; P1056-F1063 HydrophobicContact CG-CD1 3.59Å; P1056-F1063 HydrophobicContact CG-CD2 4.01Å; P1056-F1063 HydrophobicContact CG-CE1 4.18Å; P1056-F1063 HydrophobicContact CG-CG 3.49Å; P1056-F1063 VanDerWaalsContact CG-CG 3.49Å; Y1059-F1063 WeakPolarHBondContact O-CB 3.32Å; Y1059-F1063 PolarHBondContact O-N 3.45Å
1064	Y	74.1	Confident	76.4	Confident	131 Å²	131	58.4 Å²	58.4	51%	0.514	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-1.5	178	-58.7	-74.3	0	0	0	113.8	P1056 P1060 L1062	P1056-Y1064 HydrophobicContact CG-CE2 4.22Å; P1060-Y1064 WeakPolarHBondContact O-CD2 3.28Å; L1062-Y1064 VanDerWaalsContact C-N 3.28Å; L1062-Y1064 PolarHBondContact O-N 2.87Å
1065	S	70.4	Confident	76.2	Confident	52 Å²	52	56.6 Å²	56.6	36%	0.364	30%	0.299	S	S	.	.			trans	-72.7	142.1	-178.8	-178.6	0	0	0	0	111.6	L1062 A1067	L1062-S1065 WeakPolarHBondContact O-CB 3.41Å; L1062-S1065 PolarHBondContact O-N 3.44Å; L1062-S1065 VanDerWaalsContact O-N 3.13Å; S1065-A1067 PolarHBondContact O-N 3.37Å; S1065-A1067 VanDerWaalsContact OG-CB 3.32Å; S1065-A1067 WeakPolarHBondContact OG-CB 3.28Å; S1065-A1067 PolarHBondContact OG-N 3.19Å; S1065-A1067 VanDerWaalsContact OG-N 3.1Å
1066	E	63.4	Low	75.8	Confident	194 Å²	194	57.1 Å²	57.1	91%	0.907	30%	0.297	S	S	*	.			trans	-68.6	-6.6	168.5	-65.4	-169.7	172.5	0	0	113.3	V1068	E1066-V1068 PolarHBondContact O-N 2.83Å; E1066-V1068 VanDerWaalsContact O-N 3.08Å
1067	A	64	Low	75.2	Confident	51 Å²	51	62.6 Å²	62.6	42%	0.421	32%	0.32	S	S	.	.	S	Bend	trans	-49.8	120.2	174.5	0	0	0	0	0	110.2	R815 S1065 F1069	R815-A1067 PolarHBondContact NH2-O 2.62Å; S1065-A1067 PolarHBondContact O-N 3.37Å; S1065-A1067 VanDerWaalsContact OG-CB 3.32Å; S1065-A1067 WeakPolarHBondContact OG-CB 3.28Å; S1065-A1067 PolarHBondContact OG-N 3.19Å; S1065-A1067 VanDerWaalsContact OG-N 3.1Å; A1067-F1069 PolarHBondContact O-N 2.6Å
1068	V	66.4	Low	74.4	Confident	119 Å²	119	64.2 Å²	64.2	72%	0.721	33%	0.326	S	S	*	.			trans	-64.7	101.8	-168.3	-172.6	0	0	0	0	110	E1066 N1070	E1066-V1068 PolarHBondContact O-N 2.83Å; E1066-V1068 VanDerWaalsContact O-N 3.08Å; V1068-N1070 VanDerWaalsContact CG1-OD1 3.3Å; V1068-N1070 WeakPolarHBondContact CG1-OD1 3.01Å; V1068-N1070 PolarHBondContact O-N 3.02Å
1069	F	77.5	Confident	73.4	Confident	35 Å²	35	67.1 Å²	67.1	15%	0.154	35%	0.349	C	S	.	.			trans	-71.9	117.1	166.1	171.6	-112.5	0	0	0	108.7	N813 R815 Q838 T859 A1067 P1071	N813-F1069 WeakPolarHBondContact O-CE1 3.26Å; R815-F1069 HydrophobicContact CB-CD1 4.25Å; R815-F1069 HydrophobicContact CB-CG 4.48Å; Q838-F1069 VanDerWaalsContact CD-CE2 3.5Å; Q838-F1069 HydrophobicContact CG-CD2 4.49Å; Q838-F1069 HydrophobicContact CG-CE2 3.97Å; T859-F1069 HydrophobicContact CG2-CE1 3.7Å; T859-F1069 HydrophobicContact CG2-CZ 3.63Å; A1067-F1069 PolarHBondContact O-N 2.6Å; F1069-P1071 HydrophobicContact CE1-CB 3.73Å; F1069-P1071 HydrophobicContact CE1-CG 4.23Å; F1069-P1071 HydrophobicContact CZ-CB 3.97Å; F1069-P1071 VanDerWaalsContact O-CD 3.29Å; F1069-P1071 WeakPolarHBondContact O-CD 3.02Å
1070	N	79.2	Confident	72.5	Confident	123 Å²	123	70.3 Å²	70.3	66%	0.658	37%	0.369	S	S	*	.			trans	-104.7	97.6	178.8	-75.3	-33.2	0	0	0	109.9	V1068	V1068-N1070 VanDerWaalsContact CG1-OD1 3.3Å; V1068-N1070 WeakPolarHBondContact CG1-OD1 3.01Å; V1068-N1070 PolarHBondContact O-N 3.02Å
1071	P	84	Confident	71.6	Confident	25 Å²	25	71.3 Å²	71.3	16%	0.162	37%	0.372	C	S	.	.			trans	-72.3	151.2	-177.6	27.5	-33.4	0	0	0	112.8	N813 A857 F1069 L1073	N813-P1071 HydrophobicContact CB-CB 3.73Å; A857-P1071 WeakPolarHBondContact O-CA 3.45Å; F1069-P1071 HydrophobicContact CE1-CB 3.73Å; F1069-P1071 HydrophobicContact CE1-CG 4.23Å; F1069-P1071 HydrophobicContact CZ-CB 3.97Å; F1069-P1071 VanDerWaalsContact O-CD 3.29Å; F1069-P1071 WeakPolarHBondContact O-CD 3.02Å; P1071-L1073 HydrophobicContact CG-CD2 4.49Å; P1071-L1073 PolarHBondContact O-N 2.89Å
1072	V	83.2	Confident	70.8	Confident	11 Å²	11	69.9 Å²	69.9	7%	0.067	36%	0.36	C	S	.	.			trans	-69.2	124	167.6	178.9	0	0	0	0	109.5	A857 P1075 F1078 F1107 V1111	A857-V1072 HydrophobicContact CB-CG2 3.58Å; A857-V1072 PolarHBondContact O-N 2.85Å; V1072-P1075 HydrophobicContact CG1-CB 4.29Å; V1072-F1078 HydrophobicContact CG1-CB 4.36Å; V1072-F1078 HydrophobicContact CG1-CD2 4.46Å; V1072-F1078 HydrophobicContact CG2-CD2 3.52Å; V1072-F1078 HydrophobicContact CG2-CE2 3.67Å; V1072-F1078 HydrophobicContact CG2-CG 4.04Å; V1072-F1078 HydrophobicContact CG2-CZ 4.3Å; V1072-F1107 HydrophobicContact CB-CZ 4.36Å; V1072-F1107 HydrophobicContact CG1-CE2 4.19Å; V1072-F1107 HydrophobicContact CG1-CZ 4.46Å; V1072-V1111 HydrophobicContact CB-CG1 4.23Å; V1072-V1111 HydrophobicContact CG1-CG1 4.14Å; V1072-V1111 HydrophobicContact CG2-CG1 4.39Å
1073	L	83.8	Confident	70	Confident	25 Å²	25	71.8 Å²	71.8	13%	0.131	38%	0.379	C	S	.	.	S	Bend	trans	-102.6	-26.5	178.2	-60.4	176	0	0	0	112.7	E1025 S1028 R1029 H1032 P1071	E1025-L1073 HydrophobicContact CG-CB 4.13Å; S1028-L1073 WeakPolarHBondContact CB-O 3.45Å; S1028-L1073 PolarHBondContact OG-O 2.88Å; R1029-L1073 HydrophobicContact CB-CD1 3.7Å; R1029-L1073 HydrophobicContact CG-CD1 3.86Å; H1032-L1073 HydrophobicContact CB-CD2 4.15Å; P1071-L1073 HydrophobicContact CG-CD2 4.49Å; P1071-L1073 PolarHBondContact O-N 2.89Å
1074	D	79.6	Confident	68.5	Low	38 Å²	38	75.2 Å²	75.2	20%	0.203	40%	0.397	C	S	.	.			trans	-141.7	112.1	173.7	-176.1	-16.3	0	0	0	108.5	E1025 W1076 K1077 F1078	E1025-D1074 HydrophobicContact CB-CB 4.2Å; E1025-D1074 HydrophobicContact CG-CB 4.18Å; D1074-W1076 VanDerWaalsContact C-N 3.3Å; D1074-W1076 PolarHBondContact O-N 2.93Å; D1074-W1076 PolarHBondContact OD1-N 3.11Å; D1074-K1077 HydrophobicContact CB-CB 4.25Å; D1074-K1077 HydrophobicContact CB-CD 4.31Å; D1074-K1077 HydrophobicContact CB-CG 4.35Å; D1074-K1077 PolarHBondContact O-N 2.95Å; D1074-K1077 WeakPolarHBondContact OD2-CD 3.34Å; D1074-K1077 VanDerWaalsContact OD2-CE 3.26Å; D1074-K1077 WeakPolarHBondContact OD2-CE 3.17Å; D1074-K1077 WeakPolarHBondContact OD2-CG 3.39Å; D1074-F1078 PolarHBondContact O-N 3.3Å
1075	P	75.8	Confident	67.5	Low	1 Å²	1	70.3 Å²	70.3	1%	0.006	38%	0.379	C	S	.	.	S	Bend	trans	-70.5	-25.2	-174.7	30.4	-36.1	0	0	0	112.9	V1072 F1078 F1107 L1110 V1111	V1072-P1075 HydrophobicContact CG1-CB 4.29Å; P1075-F1078 PolarHBondContact O-N 2.84Å; P1075-F1107 HydrophobicContact CB-CD2 4.21Å; P1075-F1107 HydrophobicContact CG-CB 4.48Å; P1075-F1107 HydrophobicContact CG-CD2 3.78Å; P1075-F1107 HydrophobicContact CG-CE2 4.47Å; P1075-F1107 HydrophobicContact CG-CG 4.47Å; P1075-L1110 HydrophobicContact CB-CB 3.98Å; P1075-L1110 HydrophobicContact CB-CD1 3.76Å; P1075-L1110 HydrophobicContact CG-CD1 3.95Å; P1075-V1111 HydrophobicContact CB-CG1 4.28Å
1076	W	72.7	Confident	66.8	Low	113 Å²	113	75.7 Å²	75.7	43%	0.428	39%	0.391	S	S	.	.	S	Bend	trans	-76	-28.9	179.5	-72.3	105.1	0	0	0	112.6	D1074 E1092 T1106 L1110	D1074-W1076 VanDerWaalsContact C-N 3.3Å; D1074-W1076 PolarHBondContact O-N 2.93Å; D1074-W1076 PolarHBondContact OD1-N 3.11Å; W1076-E1092 HydrophobicContact CH2-CB 4.18Å; W1076-E1092 HydrophobicContact CH2-CG 3.87Å; W1076-E1092 HydrophobicContact CZ3-CG 3.7Å; W1076-T1106 HydrophobicContact CZ2-CG2 4.05Å; W1076-L1110 HydrophobicContact CD2-CD1 4.11Å; W1076-L1110 HydrophobicContact CG-CD1 4.49Å; W1076-L1110 HydrophobicContact CZ2-CD1 4.09Å
1077	K	69.9	Low	66.4	Low	120 Å²	120	72.2 Å²	72.2	52%	0.522	38%	0.378	S	S	.	.	S	Bend	trans	-89.4	-4.7	176.1	-64.7	-175.3	-169.8	-178.3	0	113.6	E1025 D1074 T1079	E1025-K1077 VanDerWaalsContact OE2-CD 3.26Å; E1025-K1077 WeakPolarHBondContact OE2-CD 3.29Å; E1025-K1077 IonicContact OE2-NZ 3.94Å; E1025-K1077 PolarHBondContact OE2-NZ 3.37Å; D1074-K1077 HydrophobicContact CB-CB 4.25Å; D1074-K1077 HydrophobicContact CB-CD 4.31Å; D1074-K1077 HydrophobicContact CB-CG 4.35Å; D1074-K1077 PolarHBondContact O-N 2.95Å; D1074-K1077 WeakPolarHBondContact OD2-CD 3.34Å; D1074-K1077 VanDerWaalsContact OD2-CE 3.26Å; D1074-K1077 WeakPolarHBondContact OD2-CE 3.17Å; D1074-K1077 WeakPolarHBondContact OD2-CG 3.39Å; K1077-T1079 PolarHBondContact O-N 2.82Å
1078	F	65.6	Low	65.7	Low	53 Å²	53	71.9 Å²	71.9	23%	0.232	37%	0.368	C	S	.	.			trans	-67.3	108.9	-179.7	-171.8	-105.5	0	0	0	109.6	A857 V1072 D1074 P1075 N1080 F1081	A857-F1078 HydrophobicContact CB-CE2 4.36Å; A857-F1078 HydrophobicContact CB-CZ 4.33Å; V1072-F1078 HydrophobicContact CG1-CB 4.36Å; V1072-F1078 HydrophobicContact CG1-CD2 4.46Å; V1072-F1078 HydrophobicContact CG2-CD2 3.52Å; V1072-F1078 HydrophobicContact CG2-CE2 3.67Å; V1072-F1078 HydrophobicContact CG2-CG 4.04Å; V1072-F1078 HydrophobicContact CG2-CZ 4.3Å; D1074-F1078 PolarHBondContact O-N 3.3Å; P1075-F1078 PolarHBondContact O-N 2.84Å; F1078-N1080 HydrophobicContact CE1-CB 3.86Å; F1078-N1080 HydrophobicContact CE2-CB 4.27Å; F1078-N1080 HydrophobicContact CZ-CB 3.7Å; F1078-F1081 HydrophobicContact CB-CE2 4.21Å; F1078-F1081 HydrophobicContact CB-CZ 4.05Å; F1078-F1081 AromaticContact CD1-CD1 3.88Å; F1078-F1081 HydrophobicContact CD1-CD1 3.88Å; F1078-F1081 HydrophobicContact CD1-CD2 4.48Å; F1078-F1081 AromaticContact CD1-CE1 3.59Å; F1078-F1081 HydrophobicContact CD1-CE1 3.59Å; F1078-F1081 HydrophobicContact CD1-CE2 4.22Å; F1078-F1081 HydrophobicContact CD1-CG 4.34Å; F1078-F1081 AromaticContact CD1-CZ 3.77Å; F1078-F1081 HydrophobicContact CD1-CZ 3.77Å; F1078-F1081 HydrophobicContact CE1-CD1 4.28Å; F1078-F1081 HydrophobicContact CE1-CE1 4.25Å; F1078-F1081 HydrophobicContact CG-CZ 4.41Å; F1078-F1081 WeakPolarHBondContact O-CD2 3.23Å; F1078-F1081 WeakPolarHBondContact O-CE2 3.46Å
1079	T	55.3	Low	65	Low	104 Å²	104	68.1 Å²	68.1	64%	0.638	34%	0.342	S	S	*	.			trans	-90.5	-14.2	-173.4	52.5	0	0	0	0	114.1	K1077 F1081	K1077-T1079 PolarHBondContact O-N 2.82Å; T1079-F1081 PolarHBondContact O-N 3.47Å
1080	N	56.7	Low	63.8	Low	116 Å²	116	71.9 Å²	71.9	62%	0.62	37%	0.369	S	S	*	.			trans	-81.5	36.2	-177	-78	0.4	0	0	0	112.9	F1078	F1078-N1080 HydrophobicContact CE1-CB 3.86Å; F1078-N1080 HydrophobicContact CE2-CB 4.27Å; F1078-N1080 HydrophobicContact CZ-CB 3.7Å
1081	F	57.1	Low	62.9	Low	39 Å²	39	71.2 Å²	71.2	17%	0.171	36%	0.357	C	S	.	.			trans	-76.4	135.8	166.7	-66.6	-51.9	0	0	0	109.5	F1078 T1079 E1085 R1086 F1089	F1078-F1081 HydrophobicContact CB-CE2 4.21Å; F1078-F1081 HydrophobicContact CB-CZ 4.05Å; F1078-F1081 AromaticContact CD1-CD1 3.88Å; F1078-F1081 HydrophobicContact CD1-CD1 3.88Å; F1078-F1081 HydrophobicContact CD1-CD2 4.48Å; F1078-F1081 AromaticContact CD1-CE1 3.59Å; F1078-F1081 HydrophobicContact CD1-CE1 3.59Å; F1078-F1081 HydrophobicContact CD1-CE2 4.22Å; F1078-F1081 HydrophobicContact CD1-CG 4.34Å; F1078-F1081 AromaticContact CD1-CZ 3.77Å; F1078-F1081 HydrophobicContact CD1-CZ 3.77Å; F1078-F1081 HydrophobicContact CE1-CD1 4.28Å; F1078-F1081 HydrophobicContact CE1-CE1 4.25Å; F1078-F1081 HydrophobicContact CG-CZ 4.41Å; F1078-F1081 WeakPolarHBondContact O-CD2 3.23Å; F1078-F1081 WeakPolarHBondContact O-CE2 3.46Å; T1079-F1081 PolarHBondContact O-N 3.47Å; F1081-E1085 VanDerWaalsContact CA-OE2 3.23Å; F1081-E1085 WeakPolarHBondContact CA-OE2 3.39Å; F1081-E1085 HydrophobicContact CB-CB 3.77Å; F1081-E1085 HydrophobicContact CD1-CB 4.22Å; F1081-E1085 HydrophobicContact CG-CB 4.33Å; F1081-R1086 HydrophobicContact CB-CG 4.35Å; F1081-F1089 HydrophobicContact CB-CD2 4.18Å; F1081-F1089 HydrophobicContact CB-CE2 4.2Å; F1081-F1089 AromaticContact CD1-CD2 3.77Å; F1081-F1089 HydrophobicContact CD1-CD2 3.77Å; F1081-F1089 AromaticContact CD1-CE2 3.06Å; F1081-F1089 HydrophobicContact CD1-CE2 3.06Å; F1081-F1089 AromaticContact CD1-CZ 3.64Å; F1081-F1089 HydrophobicContact CD1-CZ 3.64Å; F1081-F1089 AromaticContact CD2-CD2 3.74Å; F1081-F1089 HydrophobicContact CD2-CD2 3.74Å; F1081-F1089 AromaticContact CD2-CE2 3.88Å; F1081-F1089 HydrophobicContact CD2-CE2 3.88Å; F1081-F1089 HydrophobicContact CD2-CG 4.42Å; F1081-F1089 HydrophobicContact CE1-CD2 4Å; F1081-F1089 HydrophobicContact CE1-CE1 4.04Å; F1081-F1089 AromaticContact CE1-CE2 3.15Å; F1081-F1089 HydrophobicContact CE1-CE2 3.15Å; F1081-F1089 AromaticContact CE1-CZ 3.17Å; F1081-F1089 HydrophobicContact CE1-CZ 3.17Å; F1081-F1089 AromaticContact CE2-CD2 3.98Å; F1081-F1089 HydrophobicContact CE2-CD2 3.98Å; F1081-F1089 HydrophobicContact CE2-CE1 4.46Å; F1081-F1089 AromaticContact CE2-CE2 3.95Å; F1081-F1089 HydrophobicContact CE2-CE2 3.95Å; F1081-F1089 HydrophobicContact CE2-CG 4.35Å; F1081-F1089 HydrophobicContact CE2-CZ 4.2Å; F1081-F1089 AromaticContact CG-CD2 3.62Å; F1081-F1089 HydrophobicContact CG-CD2 3.62Å; F1081-F1089 AromaticContact CG-CE2 3.44Å; F1081-F1089 HydrophobicContact CG-CE2 3.44Å; F1081-F1089 VanDerWaalsContact CG-CE2 3.44Å; F1081-F1089 HydrophobicContact CG-CZ 4.31Å; F1081-F1089 HydrophobicContact CZ-CD1 4.43Å; F1081-F1089 HydrophobicContact CZ-CD2 4.1Å; F1081-F1089 AromaticContact CZ-CE1 3.91Å; F1081-F1089 HydrophobicContact CZ-CE1 3.91Å; F1081-F1089 AromaticContact CZ-CE2 3.62Å; F1081-F1089 HydrophobicContact CZ-CE2 3.62Å; F1081-F1089 AromaticContact CZ-CZ 3.5Å; F1081-F1089 HydrophobicContact CZ-CZ 3.5Å
1082	T	55.4	Low	62.3	Low	41 Å²	41	75.3 Å²	75.3	25%	0.252	37%	0.374	S	S	.	.			trans	-62.2	162.6	169.1	67.7	0	0	0	0	110.8	I1084 E1085 R1086	T1082-I1084 PolarHBondContact O-N 3.49Å; T1082-E1085 PolarHBondContact N-OE2 2.58Å; T1082-E1085 WeakPolarHBondContact O-CB 3.32Å; T1082-E1085 PolarHBondContact O-N 2.92Å; T1082-E1085 VanDerWaalsContact O-N 3.08Å; T1082-E1085 WeakPolarHBondContact OG1-CB 3.41Å; T1082-E1085 WeakPolarHBondContact OG1-CG 3.38Å; T1082-E1085 PolarHBondContact OG1-N 3.25Å; T1082-E1085 PolarHBondContact OG1-OE2 3.16Å; T1082-R1086 PolarHBondContact O-N 2.91Å
1083	S	54.4	Low	62	Low	103 Å²	103	81.4 Å²	81.4	72%	0.72	40%	0.401	S	S	*	.	H	α-helix	trans	-57.2	-31.8	177	-54.7	0	0	0	0	113	L1087	S1083-L1087 PolarHBondContact O-N 3.16Å
1084	I	50.1	Low	61.8	Low	85 Å²	85	83.2 Å²	83.2	44%	0.436	41%	0.409	S	S	.	.	H	α-helix	trans	-74.8	-41.6	175.6	-67.9	169.1	0	0	0	110.9	T1082 R1086 L1087 I1088	T1082-I1084 PolarHBondContact O-N 3.49Å; I1084-R1086 VanDerWaalsContact C-N 3.27Å; I1084-R1086 PolarHBondContact O-N 2.57Å; I1084-L1087 WeakPolarHBondContact O-CA 3.3Å; I1084-L1087 VanDerWaalsContact O-CB 3.31Å; I1084-L1087 WeakPolarHBondContact O-CB 3.5Å; I1084-L1087 PolarHBondContact O-N 3.3Å; I1084-I1088 PolarHBondContact O-N 3.32Å; I1084-I1088 VanDerWaalsContact O-N 3.13Å
1085	E	53.1	Low	62	Low	29 Å²	29	81.6 Å²	81.6	14%	0.136	40%	0.401	C	S	.	.	H	α-helix	trans	-56.9	-43.1	172.9	-87.6	167.8	-178.9	0	0	110.9	R841 F1081 T1082 L1087 I1088 F1089	R841-E1085 IonicContact CZ-OE1 2.78Å; R841-E1085 IonicContact CZ-OE2 3.48Å; R841-E1085 IonicContact NH1-OE1 3.14Å; R841-E1085 PolarHBondContact NH1-OE1 2.91Å; R841-E1085 IonicContact NH1-OE2 3.97Å; R841-E1085 PolarHBondContact NH1-OE2 2.77Å; R841-E1085 IonicContact NH2-OE2 3.83Å; F1081-E1085 VanDerWaalsContact CA-OE2 3.23Å; F1081-E1085 WeakPolarHBondContact CA-OE2 3.39Å; F1081-E1085 HydrophobicContact CB-CB 3.77Å; F1081-E1085 HydrophobicContact CD1-CB 4.22Å; F1081-E1085 HydrophobicContact CG-CB 4.33Å; T1082-E1085 PolarHBondContact N-OE2 2.58Å; T1082-E1085 WeakPolarHBondContact O-CB 3.32Å; T1082-E1085 PolarHBondContact O-N 2.92Å; T1082-E1085 VanDerWaalsContact O-N 3.08Å; T1082-E1085 WeakPolarHBondContact OG1-CB 3.41Å; T1082-E1085 WeakPolarHBondContact OG1-CG 3.38Å; T1082-E1085 PolarHBondContact OG1-N 3.25Å; T1082-E1085 PolarHBondContact OG1-OE2 3.16Å; E1085-L1087 PolarHBondContact O-N 3.25Å; E1085-I1088 CarbonylContact O-C 3.54Å; E1085-I1088 WeakPolarHBondContact O-CA 3.43Å; E1085-I1088 WeakPolarHBondContact O-CB 3.48Å; E1085-I1088 PolarHBondContact O-N 2.83Å; E1085-F1089 HydrophobicContact CB-CD2 4.05Å; E1085-F1089 HydrophobicContact CB-CE2 3.71Å; E1085-F1089 HydrophobicContact CG-CE2 4.15Å; E1085-F1089 WeakPolarHBondContact O-CD2 3.17Å; E1085-F1089 PolarHBondContact O-N 2.98Å
1086	R	56.1	Low	62.4	Low	165 Å²	165	86.8 Å²	86.8	62%	0.623	43%	0.425	S	S	*	.	H	α-helix	trans	-57	-34.7	172.8	-76.7	-175.2	179.6	-177.1	0.3	113.6	F1081 T1082 I1084 I1088 F1089 T1090	F1081-R1086 HydrophobicContact CB-CG 4.35Å; T1082-R1086 PolarHBondContact O-N 2.91Å; I1084-R1086 VanDerWaalsContact C-N 3.27Å; I1084-R1086 PolarHBondContact O-N 2.57Å; R1086-I1088 VanDerWaalsContact C-N 3.34Å; R1086-F1089 PolarHBondContact O-N 3.02Å; R1086-T1090 PolarHBondContact O-N 3.21Å
1087	L	54.7	Low	63.1	Low	121 Å²	121	85.7 Å²	85.7	63%	0.634	43%	0.43	S	S	*	.	H	α-helix	trans	-66.3	-37.7	173.8	-69.3	164.8	0	0	0	111.1	S1083 I1084 E1085 T1090	S1083-L1087 PolarHBondContact O-N 3.16Å; I1084-L1087 WeakPolarHBondContact O-CA 3.3Å; I1084-L1087 VanDerWaalsContact O-CB 3.31Å; I1084-L1087 WeakPolarHBondContact O-CB 3.5Å; I1084-L1087 PolarHBondContact O-N 3.3Å; E1085-L1087 PolarHBondContact O-N 3.25Å; L1087-T1090 PolarHBondContact O-OG1 2.93Å
1088	I	50.2	Low	64	Low	43 Å²	43	80.6 Å²	80.6	22%	0.221	41%	0.411	C	S	.	.	H	α-helix	trans	-69.3	-38.2	172.4	-56.7	171.5	0	0	0	110.5	I1084 E1085 R1086 T1090 R1091	I1084-I1088 PolarHBondContact O-N 3.32Å; I1084-I1088 VanDerWaalsContact O-N 3.13Å; E1085-I1088 CarbonylContact O-C 3.54Å; E1085-I1088 WeakPolarHBondContact O-CA 3.43Å; E1085-I1088 WeakPolarHBondContact O-CB 3.48Å; E1085-I1088 PolarHBondContact O-N 2.83Å; R1086-I1088 VanDerWaalsContact C-N 3.34Å; I1088-T1090 VanDerWaalsContact C-N 3.25Å; I1088-T1090 PolarHBondContact O-N 3.07Å; I1088-R1091 WeakPolarHBondContact O-CB 3.17Å; I1088-R1091 WeakPolarHBondContact O-CD 3.3Å; I1088-R1091 WeakPolarHBondContact O-CG 3.42Å; I1088-R1091 PolarHBondContact O-N 3.19Å
1089	F	50.5	Low	65.3	Low	40 Å²	40	78.1 Å²	78.1	18%	0.175	40%	0.4	C	S	.	.	H	α-helix	trans	-75.6	-4.1	-179.3	-67.9	-65.1	0	0	0	115.1	F1081 E1085 R1086 R1091 L1110	F1081-F1089 HydrophobicContact CB-CD2 4.18Å; F1081-F1089 HydrophobicContact CB-CE2 4.2Å; F1081-F1089 AromaticContact CD1-CD2 3.77Å; F1081-F1089 HydrophobicContact CD1-CD2 3.77Å; F1081-F1089 AromaticContact CD1-CE2 3.06Å; F1081-F1089 HydrophobicContact CD1-CE2 3.06Å; F1081-F1089 AromaticContact CD1-CZ 3.64Å; F1081-F1089 HydrophobicContact CD1-CZ 3.64Å; F1081-F1089 AromaticContact CD2-CD2 3.74Å; F1081-F1089 HydrophobicContact CD2-CD2 3.74Å; F1081-F1089 AromaticContact CD2-CE2 3.88Å; F1081-F1089 HydrophobicContact CD2-CE2 3.88Å; F1081-F1089 HydrophobicContact CD2-CG 4.42Å; F1081-F1089 HydrophobicContact CE1-CD2 4Å; F1081-F1089 HydrophobicContact CE1-CE1 4.04Å; F1081-F1089 AromaticContact CE1-CE2 3.15Å; F1081-F1089 HydrophobicContact CE1-CE2 3.15Å; F1081-F1089 AromaticContact CE1-CZ 3.17Å; F1081-F1089 HydrophobicContact CE1-CZ 3.17Å; F1081-F1089 AromaticContact CE2-CD2 3.98Å; F1081-F1089 HydrophobicContact CE2-CD2 3.98Å; F1081-F1089 HydrophobicContact CE2-CE1 4.46Å; F1081-F1089 AromaticContact CE2-CE2 3.95Å; F1081-F1089 HydrophobicContact CE2-CE2 3.95Å; F1081-F1089 HydrophobicContact CE2-CG 4.35Å; F1081-F1089 HydrophobicContact CE2-CZ 4.2Å; F1081-F1089 AromaticContact CG-CD2 3.62Å; F1081-F1089 HydrophobicContact CG-CD2 3.62Å; F1081-F1089 AromaticContact CG-CE2 3.44Å; F1081-F1089 HydrophobicContact CG-CE2 3.44Å; F1081-F1089 VanDerWaalsContact CG-CE2 3.44Å; F1081-F1089 HydrophobicContact CG-CZ 4.31Å; F1081-F1089 HydrophobicContact CZ-CD1 4.43Å; F1081-F1089 HydrophobicContact CZ-CD2 4.1Å; F1081-F1089 AromaticContact CZ-CE1 3.91Å; F1081-F1089 HydrophobicContact CZ-CE1 3.91Å; F1081-F1089 AromaticContact CZ-CE2 3.62Å; F1081-F1089 HydrophobicContact CZ-CE2 3.62Å; F1081-F1089 AromaticContact CZ-CZ 3.5Å; F1081-F1089 HydrophobicContact CZ-CZ 3.5Å; E1085-F1089 HydrophobicContact CB-CD2 4.05Å; E1085-F1089 HydrophobicContact CB-CE2 3.71Å; E1085-F1089 HydrophobicContact CG-CE2 4.15Å; E1085-F1089 WeakPolarHBondContact O-CD2 3.17Å; E1085-F1089 PolarHBondContact O-N 2.98Å; R1086-F1089 PolarHBondContact O-N 3.02Å; F1089-R1091 PolarHBondContact O-N 2.74Å; F1089-L1110 HydrophobicContact CD1-CD2 3.51Å; F1089-L1110 HydrophobicContact CE1-CB 3.93Å; F1089-L1110 HydrophobicContact CE1-CD2 3.3Å; F1089-L1110 HydrophobicContact CE1-CG 4.17Å; F1089-L1110 WeakPolarHBondContact CZ-O 3.41Å
1090	T	52.7	Low	67.1	Low	115 Å²	115	79 Å²	79	71%	0.706	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-2.7	162.5	62.5	0	0	0	0	113.1	R1086 L1087 I1088	R1086-T1090 PolarHBondContact O-N 3.21Å; L1087-T1090 PolarHBondContact O-OG1 2.93Å; I1088-T1090 VanDerWaalsContact C-N 3.25Å; I1088-T1090 PolarHBondContact O-N 3.07Å
1091	R	61.1	Low	68.5	Low	109 Å²	109	76.8 Å²	76.8	41%	0.411	40%	0.401	S	S	.	.			trans	-97.2	36.6	-175.6	-62	168.8	167	-149.3	10.5	114.4	I1088 F1089 H1093 E1094 V1095	I1088-R1091 WeakPolarHBondContact O-CB 3.17Å; I1088-R1091 WeakPolarHBondContact O-CD 3.3Å; I1088-R1091 WeakPolarHBondContact O-CG 3.42Å; I1088-R1091 PolarHBondContact O-N 3.19Å; F1089-R1091 PolarHBondContact O-N 2.74Å; R1091-H1093 PolarHBondContact O-N 3.22Å; R1091-H1093 VanDerWaalsContact O-N 3.09Å; R1091-E1094 HydrophobicContact CB-CB 3.78Å; R1091-E1094 WeakPolarHBondContact CD-OE2 3.45Å; R1091-E1094 HydrophobicContact CG-CB 4.41Å; R1091-E1094 WeakPolarHBondContact CG-OE2 3.28Å; R1091-E1094 IonicContact CZ-OE2 3.44Å; R1091-E1094 IonicContact NE-OE2 3.4Å; R1091-E1094 PolarHBondContact NE-OE2 3.45Å; R1091-E1094 VanDerWaalsContact NH1-CD 3.28Å; R1091-E1094 IonicContact NH1-OE1 2.94Å; R1091-E1094 PolarHBondContact NH1-OE1 2.91Å; R1091-E1094 IonicContact NH1-OE2 2.7Å; R1091-E1094 PolarHBondContact NH1-OE2 3.29Å; R1091-E1094 PolarHBondContact O-N 3.15Å; R1091-V1095 PolarHBondContact O-N 3.44Å
1092	E	70.4	Confident	70.2	Confident	110 Å²	110	76.1 Å²	76.1	51%	0.514	40%	0.401	S	S	.	.	H	α-helix	trans	-47.6	-41.8	172.3	-62.9	-164	162.9	0	0	111.4	W1076 Q1096	W1076-E1092 HydrophobicContact CH2-CB 4.18Å; W1076-E1092 HydrophobicContact CH2-CG 3.87Å; W1076-E1092 HydrophobicContact CZ3-CG 3.7Å; E1092-Q1096 WeakPolarHBondContact O-CB 3.28Å; E1092-Q1096 WeakPolarHBondContact O-CG 3.5Å; E1092-Q1096 PolarHBondContact O-N 2.99Å
1093	H	76.1	Confident	71.8	Confident	139 Å²	139	77 Å²	77	64%	0.644	40%	0.4	S	S	*	.	H	α-helix	trans	-64.2	-41.6	177	-167	61.5	0	0	0	113.5	R1091 Q1096 V1097	R1091-H1093 PolarHBondContact O-N 3.22Å; R1091-H1093 VanDerWaalsContact O-N 3.09Å; H1093-Q1096 PolarHBondContact O-N 3.35Å; H1093-V1097 WeakPolarHBondContact O-CB 3.18Å; H1093-V1097 WeakPolarHBondContact O-CG2 3.44Å; H1093-V1097 PolarHBondContact O-N 3.29Å
1094	E	81	Confident	73.7	Confident	63 Å²	63	72.3 Å²	72.3	29%	0.294	37%	0.367	S	S	.	.	H	α-helix	trans	-67	-42.3	179.3	-166.7	180	155.2	0	0	111.4	R1091 V1097 A1098 Y1109	R1091-E1094 HydrophobicContact CB-CB 3.78Å; R1091-E1094 WeakPolarHBondContact CD-OE2 3.45Å; R1091-E1094 HydrophobicContact CG-CB 4.41Å; R1091-E1094 WeakPolarHBondContact CG-OE2 3.28Å; R1091-E1094 IonicContact CZ-OE2 3.44Å; R1091-E1094 IonicContact NE-OE2 3.4Å; R1091-E1094 PolarHBondContact NE-OE2 3.45Å; R1091-E1094 VanDerWaalsContact NH1-CD 3.28Å; R1091-E1094 IonicContact NH1-OE1 2.94Å; R1091-E1094 PolarHBondContact NH1-OE1 2.91Å; R1091-E1094 IonicContact NH1-OE2 2.7Å; R1091-E1094 PolarHBondContact NH1-OE2 3.29Å; R1091-E1094 PolarHBondContact O-N 3.15Å; E1094-V1097 PolarHBondContact O-N 2.96Å; E1094-A1098 VanDerWaalsContact O-CB 3.25Å; E1094-A1098 WeakPolarHBondContact O-CB 3.46Å; E1094-A1098 PolarHBondContact O-N 3.36Å; E1094-Y1109 PolarHBondContact OE1-OH 3.08Å; E1094-Y1109 VanDerWaalsContact OE1-OH 3.05Å
1095	V	83.4	Confident	75.8	Confident	5 Å²	5	68.2 Å²	68.2	3%	0.03	35%	0.346	C	S	.	.	H	α-helix	trans	-64.4	-44.7	177.9	-180	0	0	0	0	109.9	R1091 V1097 A1098 C1099 T1106 Y1109 L1110	R1091-V1095 PolarHBondContact O-N 3.44Å; V1095-V1097 PolarHBondContact O-N 2.86Å; V1095-A1098 PolarHBondContact O-N 3.24Å; V1095-C1099 VanDerWaalsContact O-CB 3.22Å; V1095-C1099 WeakPolarHBondContact O-CB 3.39Å; V1095-C1099 PolarHBondContact O-N 3.34Å; V1095-T1106 HydrophobicContact CG1-CG2 3.83Å; V1095-Y1109 HydrophobicContact CG1-CD2 4.45Å; V1095-Y1109 HydrophobicContact CG1-CG 4.4Å; V1095-Y1109 HydrophobicContact CG2-CD1 3.95Å; V1095-Y1109 HydrophobicContact CG2-CD2 4.31Å; V1095-Y1109 HydrophobicContact CG2-CE1 3.99Å; V1095-Y1109 HydrophobicContact CG2-CE2 4.29Å; V1095-Y1109 HydrophobicContact CG2-CG 4.16Å; V1095-L1110 HydrophobicContact CG1-CD2 4.41Å; V1095-L1110 HydrophobicContact CG2-CD2 4.04Å
1096	Q	83.8	Confident	77.6	Confident	109 Å²	109	67.6 Å²	67.6	51%	0.509	34%	0.344	S	S	.	.	H	α-helix	trans	-59.5	-43.5	175.9	-75	173.6	5.8	0	0	112.3	E1092 H1093 Q1100	E1092-Q1096 WeakPolarHBondContact O-CB 3.28Å; E1092-Q1096 WeakPolarHBondContact O-CG 3.5Å; E1092-Q1096 PolarHBondContact O-N 2.99Å; H1093-Q1096 PolarHBondContact O-N 3.35Å; Q1096-Q1100 WeakPolarHBondContact O-CA 3.42Å; Q1096-Q1100 PolarHBondContact O-N 3.06Å
1097	V	88.1	Confident	79.2	Confident	91 Å²	91	59.8 Å²	59.8	55%	0.552	32%	0.315	S	S	*	.	H	α-helix	trans	-67.7	-45.8	178.1	170.8	0	0	0	0	111.4	H1093 E1094 V1095 Q1100	H1093-V1097 WeakPolarHBondContact O-CB 3.18Å; H1093-V1097 WeakPolarHBondContact O-CG2 3.44Å; H1093-V1097 PolarHBondContact O-N 3.29Å; E1094-V1097 PolarHBondContact O-N 2.96Å; V1095-V1097 PolarHBondContact O-N 2.86Å; V1097-Q1100 WeakPolarHBondContact O-CG 3.12Å
1098	A	88.4	Confident	80.8	Confident	13 Å²	13	54 Å²	54	11%	0.107	28%	0.284	C	S	.	.	H	α-helix	trans	-67.5	-41.3	-178.7	0	0	0	0	0	112.2	E1094 V1095 Y1109 L1122	E1094-A1098 VanDerWaalsContact O-CB 3.25Å; E1094-A1098 WeakPolarHBondContact O-CB 3.46Å; E1094-A1098 PolarHBondContact O-N 3.36Å; V1095-A1098 PolarHBondContact O-N 3.24Å; A1098-Y1109 HydrophobicContact CB-CD2 4.49Å; A1098-Y1109 HydrophobicContact CB-CE2 4.07Å; A1098-L1122 WeakPolarHBondContact O-CD2 3.41Å
1099	C	92.6	Very high	82.5	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-92.1	-12.7	-175.4	-68.2	0	0	0	0	114.8	V1095 G1101 V1102 C1105 T1106	V1095-C1099 VanDerWaalsContact O-CB 3.22Å; V1095-C1099 WeakPolarHBondContact O-CB 3.39Å; V1095-C1099 PolarHBondContact O-N 3.34Å; C1099-G1101 PolarHBondContact O-N 2.81Å; C1099-G1101 VanDerWaalsContact O-N 3.14Å; C1099-V1102 WeakPolarHBondContact O-CB 3.36Å; C1099-V1102 PolarHBondContact O-N 2.8Å; C1099-C1105 WeakPolarHBondContact CA-SG 3.48Å; C1099-C1105 HydrophobicContact CB-CB 3.58Å; C1099-C1105 WeakPolarHBondContact CB-SG 3.4Å; C1099-C1105 WeakPolarHBondContact SG-CB 3.47Å; C1099-C1105 PolarHBondContact SG-O 2.91Å; C1099-C1105 VanDerWaalsContact SG-O 3.41Å; C1099-C1105 CovalentContact SG-SG 2.04Å; C1099-C1105 PolarHBondContact SG-SG 3.39Å; C1099-T1106 PolarHBondContact SG-N 3.08Å
1100	Q	92.6	Very high	84	Confident	123 Å²	123	50.8 Å²	50.8	58%	0.575	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	37.1	174.5	-53.7	176.8	-0.4	0	0	112.9	Q1096 V1097 V1102	Q1096-Q1100 WeakPolarHBondContact O-CA 3.42Å; Q1096-Q1100 PolarHBondContact O-N 3.06Å; V1097-Q1100 WeakPolarHBondContact O-CG 3.12Å; Q1100-V1102 VanDerWaalsContact C-N 3.29Å; Q1100-V1102 PolarHBondContact O-N 2.86Å
1101	G	86.8	Confident	85.4	Confident	70 Å²	70	46.4 Å²	46.4	72%	0.722	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.8	1.4	-178.3	0	0	0	0	0	115.7	C1099 Y1103	C1099-G1101 PolarHBondContact O-N 2.81Å; C1099-G1101 VanDerWaalsContact O-N 3.14Å; G1101-Y1103 PolarHBondContact O-N 3.33Å
1102	V	92	Very high	86.3	Confident	25 Å²	25	41.5 Å²	41.5	15%	0.152	22%	0.224	C	C	.	.			trans	-75.9	120.8	175.7	178.7	0	0	0	0	110.2	C1099 Q1100 S1104 C1105 T1106 L1122 E1125	C1099-V1102 WeakPolarHBondContact O-CB 3.36Å; C1099-V1102 PolarHBondContact O-N 2.8Å; Q1100-V1102 VanDerWaalsContact C-N 3.29Å; Q1100-V1102 PolarHBondContact O-N 2.86Å; V1102-S1104 VanDerWaalsContact CG1-OG 3.24Å; V1102-S1104 WeakPolarHBondContact CG1-OG 3.49Å; V1102-C1105 HydrophobicContact CB-CB 4.34Å; V1102-C1105 HydrophobicContact CG1-CB 4.37Å; V1102-T1106 PolarHBondContact O-N 3Å; V1102-T1106 VanDerWaalsContact O-N 3.11Å; V1102-T1106 PolarHBondContact O-OG1 2.75Å; V1102-L1122 HydrophobicContact CB-CD1 3.63Å; V1102-L1122 HydrophobicContact CG1-CD1 4.08Å; V1102-L1122 HydrophobicContact CG2-CD1 3.37Å; V1102-E1125 WeakPolarHBondContact CG1-OE2 3.36Å
1103	Y	90.4	Very high	86.6	Confident	59 Å²	59	37.3 Å²	37.3	23%	0.231	21%	0.21	C	C	.	.	H	α-helix	trans	-64.6	-44	-175.1	175.5	-96.2	0	0	0	113.1	G1101 C1105 T1106 F1107	G1101-Y1103 PolarHBondContact O-N 3.33Å; Y1103-C1105 PolarHBondContact O-N 3.47Å; Y1103-T1106 WeakPolarHBondContact O-CB 3.3Å; Y1103-T1106 PolarHBondContact O-N 3.47Å; Y1103-T1106 VanDerWaalsContact O-N 3.11Å; Y1103-F1107 HydrophobicContact CE1-CB 4.34Å; Y1103-F1107 HydrophobicContact CE1-CD2 4.36Å; Y1103-F1107 WeakPolarHBondContact O-CB 3.24Å; Y1103-F1107 PolarHBondContact O-N 3.36Å
1104	S	93.6	Very high	86.8	Confident	4 Å²	4	34.2 Å²	34.2	3%	0.028	19%	0.193	C	C	.	.	H	α-helix	trans	-59.3	-46.9	-179.4	57.3	0	0	0	0	111.5	H801 V1102 T1106 F1107 D1108 E1125	H801-S1104 VanDerWaalsContact CD2-CB 3.46Å; H801-S1104 WeakPolarHBondContact CD2-CB 3.28Å; H801-S1104 WeakPolarHBondContact NE2-CA 3.43Å; H801-S1104 PolarHBondContact NE2-O 3.1Å; V1102-S1104 VanDerWaalsContact CG1-OG 3.24Å; V1102-S1104 WeakPolarHBondContact CG1-OG 3.49Å; S1104-T1106 VanDerWaalsContact C-N 3.34Å; S1104-T1106 PolarHBondContact O-N 2.78Å; S1104-F1107 PolarHBondContact O-N 3.15Å; S1104-D1108 WeakPolarHBondContact O-CB 3.25Å; S1104-D1108 PolarHBondContact O-N 3.06Å; S1104-E1125 WeakPolarHBondContact CB-OE2 3.46Å; S1104-E1125 PolarHBondContact OG-OE2 3.08Å
1105	C	94.2	Very high	87	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-57	-46.8	171.9	174.5	0	0	0	0	112.1	C1099 V1102 Y1103 F1107 D1108 Y1109 G1118 L1122	C1099-C1105 WeakPolarHBondContact CA-SG 3.48Å; C1099-C1105 HydrophobicContact CB-CB 3.58Å; C1099-C1105 WeakPolarHBondContact CB-SG 3.4Å; C1099-C1105 WeakPolarHBondContact SG-CB 3.47Å; C1099-C1105 PolarHBondContact SG-O 2.91Å; C1099-C1105 VanDerWaalsContact SG-O 3.41Å; C1099-C1105 CovalentContact SG-SG 2.04Å; C1099-C1105 PolarHBondContact SG-SG 3.39Å; V1102-C1105 HydrophobicContact CB-CB 4.34Å; V1102-C1105 HydrophobicContact CG1-CB 4.37Å; Y1103-C1105 PolarHBondContact O-N 3.47Å; C1105-F1107 VanDerWaalsContact C-N 3.34Å; C1105-F1107 PolarHBondContact O-N 2.94Å; C1105-D1108 PolarHBondContact O-N 2.84Å; C1105-Y1109 VanDerWaalsContact O-CB 3.25Å; C1105-Y1109 WeakPolarHBondContact O-CB 3.48Å; C1105-Y1109 PolarHBondContact O-N 3.26Å; C1105-G1118 WeakPolarHBondContact CB-O 3.34Å; C1105-G1118 PolarHBondContact SG-O 2.88Å; C1105-L1122 HydrophobicContact CB-CB 3.92Å
1106	T	90.3	Very high	87.3	Confident	16 Å²	16	40.1 Å²	40.1	10%	0.098	22%	0.215	C	C	.	.	H	α-helix	trans	-61.5	-46.3	-179.3	-58.1	0	0	0	0	110.2	W1076 V1095 C1099 V1102 Y1103 S1104 L1110	W1076-T1106 HydrophobicContact CZ2-CG2 4.05Å; V1095-T1106 HydrophobicContact CG1-CG2 3.83Å; C1099-T1106 PolarHBondContact SG-N 3.08Å; V1102-T1106 PolarHBondContact O-N 3Å; V1102-T1106 VanDerWaalsContact O-N 3.11Å; V1102-T1106 PolarHBondContact O-OG1 2.75Å; Y1103-T1106 WeakPolarHBondContact O-CB 3.3Å; Y1103-T1106 PolarHBondContact O-N 3.47Å; Y1103-T1106 VanDerWaalsContact O-N 3.11Å; S1104-T1106 VanDerWaalsContact C-N 3.34Å; S1104-T1106 PolarHBondContact O-N 2.78Å; T1106-L1110 HydrophobicContact CG2-CD1 3.77Å; T1106-L1110 HydrophobicContact CG2-CG 4.38Å; T1106-L1110 WeakPolarHBondContact O-CB 3.28Å; T1106-L1110 WeakPolarHBondContact O-CG 3.18Å; T1106-L1110 PolarHBondContact O-N 3.15Å
1107	F	89.6	Confident	87.6	Confident	1 Å²	1	36.4 Å²	36.4	0%	0.004	20%	0.197	C	C	.	.	H	α-helix	trans	-56.9	-56.2	176	-174.6	-84.5	0	0	0	111	H799 H801 T811 N813 A858 V1072 P1075 Y1103 S1104 C1105 Y1109 L1110 V1111	H799-F1107 HydrophobicContact CB-CD1 4.48Å; H799-F1107 HydrophobicContact CB-CE1 4.24Å; H801-F1107 AromaticContact CE1-CD1 3.52Å; H801-F1107 AromaticContact CE1-CG 3.66Å; H801-F1107 AromaticContact NE2-CD1 3.65Å; T811-F1107 HydrophobicContact CG2-CE1 4.32Å; T811-F1107 HydrophobicContact CG2-CE2 4.36Å; T811-F1107 HydrophobicContact CG2-CZ 4.21Å; N813-F1107 VanDerWaalsContact ND2-CZ 3.34Å; N813-F1107 WeakPolarHBondContact ND2-CZ 3.33Å; A858-F1107 HydrophobicContact CB-CE1 4.14Å; V1072-F1107 HydrophobicContact CB-CZ 4.36Å; V1072-F1107 HydrophobicContact CG1-CE2 4.19Å; V1072-F1107 HydrophobicContact CG1-CZ 4.46Å; P1075-F1107 HydrophobicContact CB-CD2 4.21Å; P1075-F1107 HydrophobicContact CG-CB 4.48Å; P1075-F1107 HydrophobicContact CG-CD2 3.78Å; P1075-F1107 HydrophobicContact CG-CE2 4.47Å; P1075-F1107 HydrophobicContact CG-CG 4.47Å; Y1103-F1107 HydrophobicContact CE1-CB 4.34Å; Y1103-F1107 HydrophobicContact CE1-CD2 4.36Å; Y1103-F1107 WeakPolarHBondContact O-CB 3.24Å; Y1103-F1107 PolarHBondContact O-N 3.36Å; S1104-F1107 PolarHBondContact O-N 3.15Å; C1105-F1107 VanDerWaalsContact C-N 3.34Å; C1105-F1107 PolarHBondContact O-N 2.94Å; F1107-Y1109 PolarHBondContact O-N 2.9Å; F1107-L1110 PolarHBondContact O-N 2.84Å; F1107-L1110 VanDerWaalsContact O-N 3.17Å; F1107-V1111 HydrophobicContact CD1-CG1 4.11Å; F1107-V1111 HydrophobicContact CD1-CG2 4.05Å; F1107-V1111 HydrophobicContact CE1-CB 4.47Å; F1107-V1111 HydrophobicContact CE1-CG1 3.79Å; F1107-V1111 HydrophobicContact CE1-CG2 3.93Å; F1107-V1111 HydrophobicContact CE2-CG1 4.26Å; F1107-V1111 HydrophobicContact CG-CG1 4.46Å; F1107-V1111 HydrophobicContact CZ-CG1 3.86Å; F1107-V1111 WeakPolarHBondContact O-CG1 3.44Å; F1107-V1111 VanDerWaalsContact O-CG2 3.32Å; F1107-V1111 WeakPolarHBondContact O-CG2 3.09Å; F1107-V1111 PolarHBondContact O-N 3.39Å
1108	D	90	Very high	87.7	Confident	0 Å²	0	32 Å²	32	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-60.2	-41.8	-178.2	-83.1	12.8	0	0	0	112.9	G798 H799 H801 S1104 C1105 S1112 T1121	G798-D1108 WeakPolarHBondContact CA-OD2 3.36Å; H799-D1108 WeakPolarHBondContact CB-OD1 3.4Å; H799-D1108 IonicContact CE1-OD2 2.67Å; H799-D1108 IonicContact CG-OD1 3.12Å; H799-D1108 IonicContact CG-OD2 3.17Å; H799-D1108 PolarHBondContact N-OD1 3.32Å; H799-D1108 PolarHBondContact N-OD2 2.93Å; H799-D1108 VanDerWaalsContact N-OD2 3.07Å; H799-D1108 IonicContact ND1-OD1 3.94Å; H799-D1108 PolarHBondContact ND1-OD1 3.41Å; H799-D1108 VanDerWaalsContact ND1-OD1 3.08Å; H799-D1108 IonicContact ND1-OD2 3.81Å; H799-D1108 PolarHBondContact ND1-OD2 2.88Å; H801-D1108 IonicContact CD2-OD1 2.74Å; H801-D1108 PolarHBondContact CD2-OD1 2.94Å; H801-D1108 IonicContact NE2-OD1 2.89Å; H801-D1108 PolarHBondContact NE2-OD1 3.03Å; S1104-D1108 WeakPolarHBondContact O-CB 3.25Å; S1104-D1108 PolarHBondContact O-N 3.06Å; C1105-D1108 PolarHBondContact O-N 2.84Å; D1108-S1112 WeakPolarHBondContact O-CB 3.44Å; D1108-S1112 PolarHBondContact O-N 2.82Å; D1108-S1112 VanDerWaalsContact O-N 3.1Å; D1108-S1112 PolarHBondContact O-OG 2.62Å; D1108-T1121 WeakPolarHBondContact OD2-CB 3.48Å; D1108-T1121 PolarHBondContact OD2-OG1 3.36Å
1109	Y	85.9	Confident	88	Confident	10 Å²	10	33.3 Å²	33.3	4%	0.039	18%	0.177	C	C	.	.	H	α-helix	trans	-58.3	-52.1	175.3	-164.5	-48	0	0	0	109.8	E1094 V1095 A1098 C1105 F1107 G1113 R1114 R1115	E1094-Y1109 PolarHBondContact OE1-OH 3.08Å; E1094-Y1109 VanDerWaalsContact OE1-OH 3.05Å; V1095-Y1109 HydrophobicContact CG1-CD2 4.45Å; V1095-Y1109 HydrophobicContact CG1-CG 4.4Å; V1095-Y1109 HydrophobicContact CG2-CD1 3.95Å; V1095-Y1109 HydrophobicContact CG2-CD2 4.31Å; V1095-Y1109 HydrophobicContact CG2-CE1 3.99Å; V1095-Y1109 HydrophobicContact CG2-CE2 4.29Å; V1095-Y1109 HydrophobicContact CG2-CG 4.16Å; A1098-Y1109 HydrophobicContact CB-CD2 4.49Å; A1098-Y1109 HydrophobicContact CB-CE2 4.07Å; C1105-Y1109 VanDerWaalsContact O-CB 3.25Å; C1105-Y1109 WeakPolarHBondContact O-CB 3.48Å; C1105-Y1109 PolarHBondContact O-N 3.26Å; F1107-Y1109 PolarHBondContact O-N 2.9Å; Y1109-G1113 WeakPolarHBondContact O-CA 3.39Å; Y1109-G1113 PolarHBondContact O-N 2.67Å; Y1109-R1114 PolarHBondContact O-N 3.27Å; Y1109-R1115 HydrophobicContact CD2-CB 4.4Å; Y1109-R1115 HydrophobicContact CD2-CG 4.45Å; Y1109-R1115 HydrophobicContact CE1-CB 4.46Å; Y1109-R1115 HydrophobicContact CE2-CB 3.65Å; Y1109-R1115 HydrophobicContact CE2-CG 3.65Å
1110	L	81.9	Confident	88.1	Confident	4 Å²	4	34.8 Å²	34.8	2%	0.021	19%	0.185	C	C	.	.	H	α-helix	trans	-69.8	-43.9	-173.5	-61.7	170.9	0	0	0	111.8	P1075 W1076 F1089 V1095 T1106 F1107	P1075-L1110 HydrophobicContact CB-CB 3.98Å; P1075-L1110 HydrophobicContact CB-CD1 3.76Å; P1075-L1110 HydrophobicContact CG-CD1 3.95Å; W1076-L1110 HydrophobicContact CD2-CD1 4.11Å; W1076-L1110 HydrophobicContact CG-CD1 4.49Å; W1076-L1110 HydrophobicContact CZ2-CD1 4.09Å; F1089-L1110 HydrophobicContact CD1-CD2 3.51Å; F1089-L1110 HydrophobicContact CE1-CB 3.93Å; F1089-L1110 HydrophobicContact CE1-CD2 3.3Å; F1089-L1110 HydrophobicContact CE1-CG 4.17Å; F1089-L1110 WeakPolarHBondContact CZ-O 3.41Å; V1095-L1110 HydrophobicContact CG1-CD2 4.41Å; V1095-L1110 HydrophobicContact CG2-CD2 4.04Å; T1106-L1110 HydrophobicContact CG2-CD1 3.77Å; T1106-L1110 HydrophobicContact CG2-CG 4.38Å; T1106-L1110 WeakPolarHBondContact O-CB 3.28Å; T1106-L1110 WeakPolarHBondContact O-CG 3.18Å; T1106-L1110 PolarHBondContact O-N 3.15Å; F1107-L1110 PolarHBondContact O-N 2.84Å; F1107-L1110 VanDerWaalsContact O-N 3.17Å
1111	V	80.8	Confident	88.3	Confident	23 Å²	23	29.2 Å²	29.2	14%	0.139	16%	0.159	C	C	.	.	H	α-helix	trans	-73.5	-33.4	-177	-58.9	0	0	0	0	113.1	H799 V856 A858 V1072 P1075 F1107	H799-V1111 HydrophobicContact CB-CG2 4.34Å; V856-V1111 HydrophobicContact CG1-CB 4.39Å; V856-V1111 HydrophobicContact CG1-CG2 4.35Å; A858-V1111 HydrophobicContact CB-CB 4.37Å; A858-V1111 HydrophobicContact CB-CG2 4Å; V1072-V1111 HydrophobicContact CB-CG1 4.23Å; V1072-V1111 HydrophobicContact CG1-CG1 4.14Å; V1072-V1111 HydrophobicContact CG2-CG1 4.39Å; P1075-V1111 HydrophobicContact CB-CG1 4.28Å; F1107-V1111 HydrophobicContact CD1-CG1 4.11Å; F1107-V1111 HydrophobicContact CD1-CG2 4.05Å; F1107-V1111 HydrophobicContact CE1-CB 4.47Å; F1107-V1111 HydrophobicContact CE1-CG1 3.79Å; F1107-V1111 HydrophobicContact CE1-CG2 3.93Å; F1107-V1111 HydrophobicContact CE2-CG1 4.26Å; F1107-V1111 HydrophobicContact CG-CG1 4.46Å; F1107-V1111 HydrophobicContact CZ-CG1 3.86Å; F1107-V1111 WeakPolarHBondContact O-CG1 3.44Å; F1107-V1111 VanDerWaalsContact O-CG2 3.32Å; F1107-V1111 WeakPolarHBondContact O-CG2 3.09Å; F1107-V1111 PolarHBondContact O-N 3.39Å
1112	S	80.4	Confident	88.8	Confident	6 Å²	6	26.5 Å²	26.5	4%	0.042	13%	0.128	C	C	.	.	H	α-helix	trans	-86.7	-18.1	179.4	72.3	0	0	0	0	113.5	T842 D1108 R1114	T842-S1112 PolarHBondContact OG1-O 3.41Å; D1108-S1112 WeakPolarHBondContact O-CB 3.44Å; D1108-S1112 PolarHBondContact O-N 2.82Å; D1108-S1112 VanDerWaalsContact O-N 3.1Å; D1108-S1112 PolarHBondContact O-OG 2.62Å; S1112-R1114 PolarHBondContact O-N 3.02Å; S1112-R1114 PolarHBondContact OG-N 3.12Å; S1112-R1114 PolarHBondContact OG-O 3.28Å
1113	G	76.7	Confident	89	Confident	22 Å²	22	30.1 Å²	30.1	23%	0.227	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.9	14.4	-171.1	0	0	0	0	0	113.7	Y1109	Y1109-G1113 WeakPolarHBondContact O-CA 3.39Å; Y1109-G1113 PolarHBondContact O-N 2.67Å
1114	R	80.5	Confident	89.3	Confident	74 Å²	74	27.9 Å²	27.9	28%	0.279	14%	0.137	S	C	.	.			trans	-126.9	128.3	-175.6	-70.6	-167.8	175.6	-158.4	6.8	113.1	T842 Y1109 S1112 E1116 F1117	T842-R1114 HydrophobicContact CG2-CG 3.87Å; Y1109-R1114 PolarHBondContact O-N 3.27Å; S1112-R1114 PolarHBondContact O-N 3.02Å; S1112-R1114 PolarHBondContact OG-N 3.12Å; S1112-R1114 PolarHBondContact OG-O 3.28Å; R1114-E1116 VanDerWaalsContact C-N 3.3Å; R1114-E1116 IonicContact NH1-OE2 2.77Å; R1114-E1116 PolarHBondContact O-N 2.94Å; R1114-F1117 HydrophobicContact CB-CD2 3.82Å; R1114-F1117 HydrophobicContact CB-CE2 4.44Å; R1114-F1117 HydrophobicContact CG-CD2 4.4Å; R1114-F1117 PolarHBondContact O-N 3.01Å
1115	R	85	Confident	89.4	Confident	125 Å²	125	28.8 Å²	28.8	47%	0.472	14%	0.141	S	C	.	.	H	α-helix	trans	-58	-41.2	173	-177.9	175.5	178	-72.8	-3.2	112.4	Y1109 F1117 G1118 V1119	Y1109-R1115 HydrophobicContact CD2-CB 4.4Å; Y1109-R1115 HydrophobicContact CD2-CG 4.45Å; Y1109-R1115 HydrophobicContact CE1-CB 4.46Å; Y1109-R1115 HydrophobicContact CE2-CB 3.65Å; Y1109-R1115 HydrophobicContact CE2-CG 3.65Å; R1115-F1117 PolarHBondContact O-N 3.06Å; R1115-G1118 PolarHBondContact O-N 2.87Å; R1115-V1119 HydrophobicContact CG-CG2 4.1Å; R1115-V1119 WeakPolarHBondContact O-CG2 3.46Å; R1115-V1119 PolarHBondContact O-N 2.98Å
1116	E	89.1	Confident	89.4	Confident	68 Å²	68	33.4 Å²	33.4	32%	0.318	16%	0.161	S	C	.	.	H	α-helix	trans	-60.6	-42.9	-174.3	-47.2	96.8	-119.6	0	0	112.6	R1114 V1119 D1120	R1114-E1116 VanDerWaalsContact C-N 3.3Å; R1114-E1116 IonicContact NH1-OE2 2.77Å; R1114-E1116 PolarHBondContact O-N 2.94Å; E1116-V1119 PolarHBondContact O-N 2.84Å; E1116-D1120 WeakPolarHBondContact O-CB 3.35Å; E1116-D1120 PolarHBondContact O-N 3.11Å
1117	F	89.9	Confident	89.5	Confident	30 Å²	30	37.7 Å²	37.7	13%	0.132	18%	0.179	C	C	.	.	H	α-helix	trans	-67	-41.6	-179.6	-70.5	-53.6	0	0	0	112.2	T842 R941 I943 R1114 R1115 V1119 D1120 T1121	T842-F1117 HydrophobicContact CG2-CE2 4.32Å; R941-F1117 HydrophobicContact CB-CD1 4.39Å; R941-F1117 HydrophobicContact CB-CE1 3.64Å; R941-F1117 HydrophobicContact CB-CZ 4.44Å; I943-F1117 HydrophobicContact CD1-CD1 3.65Å; I943-F1117 HydrophobicContact CD1-CE1 3.78Å; I943-F1117 HydrophobicContact CD1-CG 4.43Å; I943-F1117 HydrophobicContact CG1-CE1 4.34Å; R1114-F1117 HydrophobicContact CB-CD2 3.82Å; R1114-F1117 HydrophobicContact CB-CE2 4.44Å; R1114-F1117 HydrophobicContact CG-CD2 4.4Å; R1114-F1117 PolarHBondContact O-N 3.01Å; R1115-F1117 PolarHBondContact O-N 3.06Å; F1117-V1119 PolarHBondContact O-N 2.9Å; F1117-D1120 PolarHBondContact O-N 2.87Å; F1117-T1121 WeakPolarHBondContact O-CB 3.36Å; F1117-T1121 PolarHBondContact O-N 3.02Å; F1117-T1121 PolarHBondContact O-OG1 3.08Å
1118	G	90.9	Very high	89.7	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-59.1	-46.4	174.1	0	0	0	0	0	112	C1105 R1115 T1121 L1122	C1105-G1118 WeakPolarHBondContact CB-O 3.34Å; C1105-G1118 PolarHBondContact SG-O 2.88Å; R1115-G1118 PolarHBondContact O-N 2.87Å; G1118-T1121 PolarHBondContact O-N 2.78Å; G1118-L1122 PolarHBondContact O-N 3.3Å
1119	V	94.6	Very high	89.7	Confident	39 Å²	39	40.5 Å²	40.5	24%	0.236	19%	0.191	C	C	.	.	H	α-helix	trans	-66.8	-40	179.6	174.9	0	0	0	0	112.1	R1115 E1116 F1117 T1121 L1122 E1123	R1115-V1119 HydrophobicContact CG-CG2 4.1Å; R1115-V1119 WeakPolarHBondContact O-CG2 3.46Å; R1115-V1119 PolarHBondContact O-N 2.98Å; E1116-V1119 PolarHBondContact O-N 2.84Å; F1117-V1119 PolarHBondContact O-N 2.9Å; V1119-T1121 VanDerWaalsContact C-N 3.29Å; V1119-T1121 PolarHBondContact O-N 3.02Å; V1119-L1122 WeakPolarHBondContact O-CB 3.28Å; V1119-L1122 PolarHBondContact O-N 2.62Å; V1119-E1123 PolarHBondContact O-N 3.13Å
1120	D	95.4	Very high	89.9	Confident	32 Å²	32	44.6 Å²	44.6	17%	0.171	21%	0.213	C	C	.	.	H	α-helix	trans	-60.8	-41	175.1	-71.1	-13.2	0	0	0	110.6	R941 E1116 F1117 E1123 A1124	R941-D1120 WeakPolarHBondContact CD-OD2 2.9Å; R941-D1120 IonicContact NE-OD2 2.87Å; R941-D1120 PolarHBondContact NE-OD2 3Å; E1116-D1120 WeakPolarHBondContact O-CB 3.35Å; E1116-D1120 PolarHBondContact O-N 3.11Å; F1117-D1120 PolarHBondContact O-N 2.87Å; D1120-E1123 PolarHBondContact O-N 3.46Å; D1120-A1124 WeakPolarHBondContact O-CB 3.45Å; D1120-A1124 PolarHBondContact O-N 3.44Å
1121	T	96.7	Very high	90.2	Very high	6 Å²	6	47.2 Å²	47.2	4%	0.037	23%	0.227	C	C	.	.	H	α-helix	trans	-67.2	-39	175.8	-70.7	0	0	0	0	112.5	Y797 G798 D1108 F1117 G1118 V1119 A1124 E1125	Y797-T1121 HydrophobicContact CD2-CG2 3.88Å; Y797-T1121 HydrophobicContact CE2-CG2 3.8Å; G798-T1121 WeakPolarHBondContact CA-OG1 3.1Å; D1108-T1121 WeakPolarHBondContact OD2-CB 3.48Å; D1108-T1121 PolarHBondContact OD2-OG1 3.36Å; F1117-T1121 WeakPolarHBondContact O-CB 3.36Å; F1117-T1121 PolarHBondContact O-N 3.02Å; F1117-T1121 PolarHBondContact O-OG1 3.08Å; G1118-T1121 PolarHBondContact O-N 2.78Å; V1119-T1121 VanDerWaalsContact C-N 3.29Å; V1119-T1121 PolarHBondContact O-N 3.02Å; T1121-A1124 PolarHBondContact O-N 3.49Å; T1121-E1125 PolarHBondContact O-N 2.93Å
1122	L	97.2	Very high	90.4	Very high	13 Å²	13	46.2 Å²	46.2	7%	0.068	22%	0.221	C	C	.	.	H	α-helix	trans	-59.4	-48.5	173.2	177	64.2	0	0	0	111.7	A1098 V1102 C1105 G1118 V1119 A1124 E1125 K1126	A1098-L1122 WeakPolarHBondContact O-CD2 3.41Å; V1102-L1122 HydrophobicContact CB-CD1 3.63Å; V1102-L1122 HydrophobicContact CG1-CD1 4.08Å; V1102-L1122 HydrophobicContact CG2-CD1 3.37Å; C1105-L1122 HydrophobicContact CB-CB 3.92Å; G1118-L1122 PolarHBondContact O-N 3.3Å; V1119-L1122 WeakPolarHBondContact O-CB 3.28Å; V1119-L1122 PolarHBondContact O-N 2.62Å; L1122-A1124 VanDerWaalsContact C-N 3.35Å; L1122-E1125 PolarHBondContact O-N 2.9Å; L1122-K1126 HydrophobicContact CD1-CD 4.07Å; L1122-K1126 HydrophobicContact CD1-CG 4.28Å; L1122-K1126 HydrophobicContact CG-CD 4.31Å; L1122-K1126 WeakPolarHBondContact O-CB 3.29Å; L1122-K1126 WeakPolarHBondContact O-CG 3.47Å; L1122-K1126 PolarHBondContact O-N 3.01Å
1123	E	96.3	Very high	90.6	Very high	100 Å²	100	50.4 Å²	50.4	47%	0.467	25%	0.247	S	C	.	.	H	α-helix	trans	-63	-43.8	179.5	-170	-173.2	152.3	0	0	110.7	R940 V1119 D1120 K1127	R940-E1123 IonicContact NH2-OE1 3.42Å; V1119-E1123 PolarHBondContact O-N 3.13Å; D1120-E1123 PolarHBondContact O-N 3.46Å; E1123-K1127 WeakPolarHBondContact O-CB 3.17Å; E1123-K1127 PolarHBondContact O-N 2.95Å
1124	A	95.8	Very high	90.9	Very high	13 Å²	13	53.2 Å²	53.2	11%	0.107	25%	0.253	C	S	.	.	H	α-helix	trans	-59.9	-47.4	177.8	0	0	0	0	0	112.5	Y797 D1120 T1121 L1122 F1128	Y797-A1124 HydrophobicContact CD2-CB 4.28Å; D1120-A1124 WeakPolarHBondContact O-CB 3.45Å; D1120-A1124 PolarHBondContact O-N 3.44Å; T1121-A1124 PolarHBondContact O-N 3.49Å; L1122-A1124 VanDerWaalsContact C-N 3.35Å; A1124-F1128 VanDerWaalsContact O-CB 3.26Å; A1124-F1128 WeakPolarHBondContact O-CB 3.46Å; A1124-F1128 PolarHBondContact O-N 3.02Å
1125	E	95.7	Very high	90.9	Very high	23 Å²	23	49.8 Å²	49.8	11%	0.107	24%	0.24	C	C	.	.	H	α-helix	trans	-65	-49.3	178.9	-176.5	172.4	159.4	0	0	111.4	Y797 I803 K809 V1102 S1104 T1121 L1122 K1127 F1128 E1129	Y797-E1125 HydrophobicContact CE2-CB 3.83Å; Y797-E1125 PolarHBondContact OH-OE2 3.01Å; I803-E1125 HydrophobicContact CD1-CG 4.24Å; K809-E1125 IonicContact NZ-OE1 2.76Å; K809-E1125 PolarHBondContact NZ-OE1 2.86Å; V1102-E1125 WeakPolarHBondContact CG1-OE2 3.36Å; S1104-E1125 WeakPolarHBondContact CB-OE2 3.46Å; S1104-E1125 PolarHBondContact OG-OE2 3.08Å; T1121-E1125 PolarHBondContact O-N 2.93Å; L1122-E1125 PolarHBondContact O-N 2.9Å; E1125-K1127 PolarHBondContact O-N 3.06Å; E1125-F1128 PolarHBondContact O-N 2.81Å; E1125-E1129 HydrophobicContact CG-CG 4.49Å; E1125-E1129 WeakPolarHBondContact O-CG 3.45Å; E1125-E1129 PolarHBondContact O-N 3.3Å
1126	K	94.8	Very high	90.5	Very high	96 Å²	96	44.3 Å²	44.3	42%	0.417	22%	0.22	S	C	.	.	H	α-helix	trans	-62.8	-43.4	-178.6	-78.3	-174.5	170.1	-175.3	0	112.5	L1122 E1129 L1130	L1122-K1126 HydrophobicContact CD1-CD 4.07Å; L1122-K1126 HydrophobicContact CD1-CG 4.28Å; L1122-K1126 HydrophobicContact CG-CD 4.31Å; L1122-K1126 WeakPolarHBondContact O-CB 3.29Å; L1122-K1126 WeakPolarHBondContact O-CG 3.47Å; L1122-K1126 PolarHBondContact O-N 3.01Å; K1126-E1129 PolarHBondContact O-N 2.93Å; K1126-L1130 WeakPolarHBondContact O-CB 3.45Å; K1126-L1130 PolarHBondContact O-N 2.84Å
1127	K	93	Very high	90	Very high	107 Å²	107	47.1 Å²	47.1	47%	0.465	23%	0.233	S	C	.	.	H	α-helix	trans	-62.5	-46.8	177.1	-179.2	172.4	-179	172.7	0	110.6	E1123 E1125 E1129 L1130 D1131	E1123-K1127 WeakPolarHBondContact O-CB 3.17Å; E1123-K1127 PolarHBondContact O-N 2.95Å; E1125-K1127 PolarHBondContact O-N 3.06Å; K1127-E1129 PolarHBondContact O-N 2.89Å; K1127-L1130 PolarHBondContact O-N 3.46Å; K1127-D1131 WeakPolarHBondContact O-CB 3.24Å; K1127-D1131 PolarHBondContact O-N 2.84Å
1128	F	93.3	Very high	89.2	Confident	9 Å²	9	52.2 Å²	52.2	4%	0.039	26%	0.255	C	S	.	.	H	α-helix	trans	-58.9	-47	177.9	176.4	-96.7	0	0	0	112.2	L793 T795 I803 T947 A1124 E1125 L1130 D1131 K1132	L793-F1128 HydrophobicContact CB-CE2 3.84Å; L793-F1128 HydrophobicContact CB-CZ 3.86Å; L793-F1128 HydrophobicContact CD1-CE2 4.22Å; T795-F1128 HydrophobicContact CG2-CB 4.44Å; T795-F1128 HydrophobicContact CG2-CD1 3.65Å; T795-F1128 HydrophobicContact CG2-CD2 3.62Å; T795-F1128 HydrophobicContact CG2-CE1 3.66Å; T795-F1128 HydrophobicContact CG2-CE2 3.63Å; T795-F1128 HydrophobicContact CG2-CG 3.62Å; T795-F1128 HydrophobicContact CG2-CZ 3.64Å; I803-F1128 HydrophobicContact CB-CE1 3.95Å; I803-F1128 HydrophobicContact CD1-CD1 3.54Å; I803-F1128 HydrophobicContact CD1-CE1 3.79Å; I803-F1128 HydrophobicContact CG1-CE1 4.47Å; I803-F1128 HydrophobicContact CG2-CE1 3.8Å; T947-F1128 HydrophobicContact CG2-CD2 4.18Å; T947-F1128 HydrophobicContact CG2-CE2 3.82Å; A1124-F1128 VanDerWaalsContact O-CB 3.26Å; A1124-F1128 WeakPolarHBondContact O-CB 3.46Å; A1124-F1128 PolarHBondContact O-N 3.02Å; E1125-F1128 PolarHBondContact O-N 2.81Å; F1128-L1130 PolarHBondContact O-N 3.5Å; F1128-D1131 PolarHBondContact O-N 3.46Å; F1128-K1132 HydrophobicContact CD1-CD 4.46Å; F1128-K1132 HydrophobicContact CE1-CD 3.63Å; F1128-K1132 HydrophobicContact CZ-CD 3.8Å; F1128-K1132 WeakPolarHBondContact O-CB 3.44Å; F1128-K1132 PolarHBondContact O-N 2.87Å
1129	E	89.9	Confident	88.5	Confident	50 Å²	50	53.6 Å²	53.6	23%	0.234	26%	0.264	C	S	.	.	H	α-helix	trans	-62.4	-41.5	178	-70.3	-71.2	174.7	0	0	112.4	K809 E1125 K1126 K1127 K1132 V1133	K809-E1129 WeakPolarHBondContact CE-OE1 3.41Å; K809-E1129 IonicContact NZ-OE1 3.51Å; K809-E1129 PolarHBondContact NZ-OE1 3.41Å; E1125-E1129 HydrophobicContact CG-CG 4.49Å; E1125-E1129 WeakPolarHBondContact O-CG 3.45Å; E1125-E1129 PolarHBondContact O-N 3.3Å; K1126-E1129 PolarHBondContact O-N 2.93Å; K1127-E1129 PolarHBondContact O-N 2.89Å; E1129-K1132 PolarHBondContact O-N 3.45Å; E1129-V1133 VanDerWaalsContact O-CG2 3.3Å; E1129-V1133 WeakPolarHBondContact O-CG2 3.27Å; E1129-V1133 PolarHBondContact O-N 3.13Å
1130	L	90.1	Very high	87.7	Confident	96 Å²	96	55.8 Å²	55.8	50%	0.503	27%	0.273	S	S	.	.	H	α-helix	trans	-65.1	-50.2	177.9	-178.5	66.7	0	0	0	111.6	K1126 K1127 F1128 K1132 V1133 K1134	K1126-L1130 WeakPolarHBondContact O-CB 3.45Å; K1126-L1130 PolarHBondContact O-N 2.84Å; K1127-L1130 PolarHBondContact O-N 3.46Å; F1128-L1130 PolarHBondContact O-N 3.5Å; L1130-K1132 VanDerWaalsContact C-N 3.27Å; L1130-K1132 PolarHBondContact O-N 2.89Å; L1130-V1133 PolarHBondContact O-N 2.99Å; L1130-K1134 HydrophobicContact CD1-CD 4.31Å; L1130-K1134 HydrophobicContact CG-CD 4.25Å; L1130-K1134 WeakPolarHBondContact O-CG 3.37Å; L1130-K1134 PolarHBondContact O-N 3.02Å; L1130-K1134 VanDerWaalsContact O-N 3.09Å
1131	D	88.4	Confident	87	Confident	59 Å²	59	54.8 Å²	54.8	32%	0.316	27%	0.268	S	S	.	.	H	α-helix	trans	-58.8	-44.8	178	-69	-10.3	0	0	0	109.2	V639 K1127 F1128 K1134 G1135	V639-D1131 HydrophobicContact CG2-CB 4.12Å; V639-D1131 WeakPolarHBondContact CG2-O 3.47Å; K1127-D1131 WeakPolarHBondContact O-CB 3.24Å; K1127-D1131 PolarHBondContact O-N 2.84Å; F1128-D1131 PolarHBondContact O-N 3.46Å; D1131-K1134 PolarHBondContact O-N 2.83Å; D1131-G1135 PolarHBondContact O-N 2.76Å
1132	K	85.4	Confident	85.9	Confident	2 Å²	2	56.6 Å²	56.6	1%	0.009	28%	0.281	C	S	.	.	H	α-helix	trans	-57.8	-53.1	177.2	-169	167.1	-164.7	-179.8	0	111.5	K791 L793 T804 F805 F1128 E1129 L1130 K1134 G1135 E1136	K791-K1132 HydrophobicContact CD-CD 4.2Å; L793-K1132 HydrophobicContact CB-CD 4.43Å; L793-K1132 HydrophobicContact CD1-CB 4.34Å; L793-K1132 HydrophobicContact CD1-CG 4.44Å; L793-K1132 WeakPolarHBondContact O-CE 3.41Å; L793-K1132 PolarHBondContact O-NZ 2.84Å; T804-K1132 PolarHBondContact O-NZ 3.03Å; F805-K1132 PolarHBondContact O-NZ 2.79Å; F1128-K1132 HydrophobicContact CD1-CD 4.46Å; F1128-K1132 HydrophobicContact CE1-CD 3.63Å; F1128-K1132 HydrophobicContact CZ-CD 3.8Å; F1128-K1132 WeakPolarHBondContact O-CB 3.44Å; F1128-K1132 PolarHBondContact O-N 2.87Å; E1129-K1132 PolarHBondContact O-N 3.45Å; L1130-K1132 VanDerWaalsContact C-N 3.27Å; L1130-K1132 PolarHBondContact O-N 2.89Å; K1132-K1134 VanDerWaalsContact C-N 3.34Å; K1132-K1134 PolarHBondContact O-N 2.92Å; K1132-G1135 PolarHBondContact O-N 2.84Å; K1132-E1136 WeakPolarHBondContact CE-OE1 3.27Å; K1132-E1136 WeakPolarHBondContact CE-OE2 3.37Å; K1132-E1136 HydrophobicContact CG-CG 4.26Å; K1132-E1136 WeakPolarHBondContact CG-OE2 3.23Å; K1132-E1136 WeakPolarHBondContact O-CB 3.48Å; K1132-E1136 WeakPolarHBondContact O-CG 3.44Å; K1132-E1136 PolarHBondContact O-N 2.88Å
1133	V	83.5	Confident	84.6	Confident	95 Å²	95	56 Å²	56	58%	0.576	28%	0.278	S	S	*	.	H	α-helix	trans	-57.5	-45.1	179.1	168.9	0	0	0	0	112.2	E1129 L1130 Q1137	E1129-V1133 VanDerWaalsContact O-CG2 3.3Å; E1129-V1133 WeakPolarHBondContact O-CG2 3.27Å; E1129-V1133 PolarHBondContact O-N 3.13Å; L1130-V1133 PolarHBondContact O-N 2.99Å; V1133-Q1137 PolarHBondContact O-N 2.98Å
1134	K	83.5	Confident	83.4	Confident	81 Å²	81	53.2 Å²	53.2	35%	0.352	27%	0.269	S	S	.	.	H	α-helix	trans	-71.1	-43.9	-178	-68.7	174.6	158.2	-152.7	0	112.9	D635 L1130 D1131 K1132 E1136	D635-K1134 HydrophobicContact CB-CB 3.83Å; D635-K1134 WeakPolarHBondContact OD2-CD 3.24Å; D635-K1134 IonicContact OD2-NZ 3.15Å; L1130-K1134 HydrophobicContact CD1-CD 4.31Å; L1130-K1134 HydrophobicContact CG-CD 4.25Å; L1130-K1134 WeakPolarHBondContact O-CG 3.37Å; L1130-K1134 PolarHBondContact O-N 3.02Å; L1130-K1134 VanDerWaalsContact O-N 3.09Å; D1131-K1134 PolarHBondContact O-N 2.83Å; K1132-K1134 VanDerWaalsContact C-N 3.34Å; K1132-K1134 PolarHBondContact O-N 2.92Å; K1134-E1136 VanDerWaalsContact C-N 3.33Å
1135	G	81	Confident	82.1	Confident	2 Å²	2	56.1 Å²	56.1	2%	0.021	28%	0.282	C	S	.	.	H	α-helix	trans	-76.5	-19.7	-178.2	0	0	0	0	0	114.2	Q636 D1131 K1132	Q636-G1135 WeakPolarHBondContact CG-O 3.36Å; D1131-G1135 PolarHBondContact O-N 2.76Å; K1132-G1135 PolarHBondContact O-N 2.84Å
1136	E	77	Confident	80.8	Confident	9 Å²	9	62 Å²	62	4%	0.042	31%	0.309	C	S	.	.	H	α-helix	trans	-97.4	-9.9	180	-67.9	-172.7	164.2	0	0	112.6	A769 V770 K791 N792 K1132 K1134 K1138	A769-E1136 HydrophobicContact CB-CG 3.82Å; V770-E1136 HydrophobicContact CG2-CB 3.62Å; V770-E1136 HydrophobicContact CG2-CG 4.49Å; V770-E1136 WeakPolarHBondContact CG2-O 3.34Å; K791-E1136 WeakPolarHBondContact CA-OE1 3.38Å; K791-E1136 VanDerWaalsContact CB-CD 3.48Å; K791-E1136 VanDerWaalsContact CB-OE1 3.23Å; K791-E1136 WeakPolarHBondContact CB-OE1 3.49Å; K791-E1136 WeakPolarHBondContact CB-OE2 3.43Å; K791-E1136 WeakPolarHBondContact CD-OE2 3.32Å; K791-E1136 WeakPolarHBondContact CG-OE2 3.3Å; N792-E1136 PolarHBondContact N-OE1 3.48Å; N792-E1136 VanDerWaalsContact N-OE1 3.07Å; K1132-E1136 WeakPolarHBondContact CE-OE1 3.27Å; K1132-E1136 WeakPolarHBondContact CE-OE2 3.37Å; K1132-E1136 HydrophobicContact CG-CG 4.26Å; K1132-E1136 WeakPolarHBondContact CG-OE2 3.23Å; K1132-E1136 WeakPolarHBondContact O-CB 3.48Å; K1132-E1136 WeakPolarHBondContact O-CG 3.44Å; K1132-E1136 PolarHBondContact O-N 2.88Å; K1134-E1136 VanDerWaalsContact C-N 3.33Å; E1136-K1138 PolarHBondContact O-N 3.42Å; E1136-K1138 VanDerWaalsContact O-N 3.13Å
1137	Q	77	Confident	79.5	Confident	127 Å²	127	59.2 Å²	59.2	59%	0.593	30%	0.297	S	S	*	.			trans	-58.3	121.1	176.6	-174.3	173.5	-0	0	0	110.8	Q636 V1133 T1139	Q636-Q1137 PolarHBondContact NE2-O 3.08Å; V1133-Q1137 PolarHBondContact O-N 2.98Å; Q1137-T1139 PolarHBondContact O-N 2.9Å
1138	K	73.9	Confident	78.1	Confident	137 Å²	137	58.1 Å²	58.1	60%	0.596	30%	0.297	S	S	*	.			trans	-71	113.1	175.3	-173.4	179	178.6	-176.5	0	109.6	P768 E1136	P768-K1138 HydrophobicContact CG-CB 4.21Å; P768-K1138 HydrophobicContact CG-CG 4.2Å; E1136-K1138 PolarHBondContact O-N 3.42Å; E1136-K1138 VanDerWaalsContact O-N 3.13Å
1139	T	76.9	Confident	76.7	Confident	29 Å²	29	66 Å²	66	18%	0.178	33%	0.327	C	S	.	.			trans	-101.6	121.4	173.6	-43.2	0	0	0	0	108.6	C632 Q636 Q1137 L1161	C632-T1139 HydrophobicContact CB-CG2 4.09Å; Q636-T1139 PolarHBondContact NE2-OG1 2.8Å; Q1137-T1139 PolarHBondContact O-N 2.9Å; T1139-L1161 HydrophobicContact CG2-CB 4.36Å; T1139-L1161 HydrophobicContact CG2-CD1 3.84Å; T1139-L1161 HydrophobicContact CG2-CD2 3.63Å; T1139-L1161 HydrophobicContact CG2-CG 4.14Å
1140	I	77.6	Confident	75.6	Confident	86 Å²	86	64.5 Å²	64.5	44%	0.441	33%	0.325	S	S	.	.			trans	-87.8	134.7	171.7	-61.6	172.7	0	0	0	107.3	D1162	I1140-D1162 HydrophobicContact CB-CB 3.76Å; I1140-D1162 HydrophobicContact CG2-CB 4.08Å; I1140-D1162 PolarHBondContact O-N 2.61Å
1141	S	80	Confident	74.6	Confident	10 Å²	10	60.5 Å²	60.5	7%	0.07	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-128.4	140.1	174.5	178.3	0	0	0	0	110.3	C763 Q764 G1143 Y1160	C763-S1141 WeakPolarHBondContact SG-CB 3.23Å; Q764-S1141 WeakPolarHBondContact CG-O 3.31Å; S1141-G1143 PolarHBondContact OG-N 2.83Å; S1141-Y1160 CarbonylContact C-O 3.53Å; S1141-Y1160 WeakPolarHBondContact CA-O 3.49Å; S1141-Y1160 VanDerWaalsContact CB-O 3.29Å; S1141-Y1160 WeakPolarHBondContact CB-O 3.46Å; S1141-Y1160 PolarHBondContact OG-O 3.02Å
1142	C	73.4	Confident	73.7	Confident	44 Å²	44	60 Å²	60	30%	0.297	30%	0.302	S	S	.	.			trans	-77.7	-10.4	170.1	59.6	0	0	0	0	112.3	Y1160 C1196	C1142-Y1160 PolarHBondContact N-O 3.46Å; C1142-C1196 HydrophobicContact CB-CB 4.49Å
1143	G	71	Confident	73.1	Confident	1 Å²	1	60.2 Å²	60.2	1%	0.01	30%	0.302	C	S	.	.			trans	78.5	-176.1	-172.5	0	0	0	0	0	114.1	S1141 L1145 Y1160	S1141-G1143 PolarHBondContact OG-N 2.83Å; G1143-L1145 PolarHBondContact O-N 2.79Å; G1143-Y1160 WeakPolarHBondContact O-CD1 3.35Å
1144	P	71.4	Confident	72.5	Confident	41 Å²	41	61 Å²	61	27%	0.266	30%	0.296	S	S	.	.			trans	-64.1	111.5	-177.3	25.7	-31.9	0	0	0	111.1	F692 Q694 Y1160	F692-P1144 HydrophobicContact CD1-CB 3.9Å; F692-P1144 HydrophobicContact CD1-CG 4.23Å; F692-P1144 HydrophobicContact CE1-CB 4.32Å; F692-P1144 HydrophobicContact CE1-CG 4.34Å; Q694-P1144 HydrophobicContact CB-CB 4.12Å; Q694-P1144 HydrophobicContact CG-CB 3.93Å; P1144-Y1160 VanDerWaalsContact CA-CE1 3.44Å; P1144-Y1160 HydrophobicContact CB-CE1 4.44Å
1145	L	68.4	Low	72.2	Confident	75 Å²	75	59.6 Å²	59.6	39%	0.393	30%	0.295	S	S	.	.			trans	-69.2	121.5	163.5	-59.5	170.3	0	0	0	110.2	G1143 K1153 Y1160	G1143-L1145 PolarHBondContact O-N 2.79Å; L1145-K1153 PolarHBondContact O-NZ 2.99Å; L1145-Y1160 HydrophobicContact CB-CD1 4.34Å; L1145-Y1160 HydrophobicContact CB-CE1 3.88Å; L1145-Y1160 HydrophobicContact CD1-CD1 4.37Å; L1145-Y1160 HydrophobicContact CG-CD1 4.04Å; L1145-Y1160 HydrophobicContact CG-CE1 4.1Å
1146	E	66.6	Low	71.7	Confident	145 Å²	145	64.5 Å²	64.5	68%	0.678	32%	0.32	S	S	*	.			trans	-64	140.6	168.9	-69.9	-171.4	179.3	0	0	110.7	Y1201	E1146-Y1201 HydrophobicContact CB-CE1 4.15Å; E1146-Y1201 PolarHBondContact OE2-OH 3.08Å
1147	K	68.9	Low	71.4	Confident	38 Å²	38	64.7 Å²	64.7	17%	0.165	33%	0.325	C	S	.	.			trans	-131.4	150.1	175.7	71.3	-167.2	-175.8	69.2	0	109.5	E697 V1151 K1153	E697-K1147 IonicContact OE2-NZ 3.84Å; E697-K1147 PolarHBondContact OE2-NZ 3.32Å; K1147-V1151 HydrophobicContact CB-CB 4.31Å; K1147-V1151 VanDerWaalsContact CD-O 3.27Å; K1147-V1151 WeakPolarHBondContact CD-O 3.1Å; K1147-V1151 WeakPolarHBondContact CE-O 3.42Å; K1147-V1151 PolarHBondContact NZ-O 2.92Å; K1147-K1153 HydrophobicContact CD-CD 4.25Å; K1147-K1153 HydrophobicContact CD-CG 4.18Å
1148	N	62.8	Low	71.3	Confident	85 Å²	85	60.4 Å²	60.4	46%	0.455	31%	0.306	S	S	.	.			trans	-69.1	156.8	169.4	-76	-45.2	0	0	0	110.5	V1151	N1148-V1151 HydrophobicContact CB-CG2 4.04Å; N1148-V1151 WeakPolarHBondContact O-CB 3.07Å; N1148-V1151 WeakPolarHBondContact O-CG2 3.26Å; N1148-V1151 PolarHBondContact O-N 2.84Å
1149	Y	65	Low	71.1	Confident	174 Å²	174	54 Å²	54	68%	0.682	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	137.4	171.7	-167.9	-90.3	0	0	0	111.1	F698 V1151	F698-Y1149 HydrophobicContact CB-CE2 3.68Å; F698-Y1149 VanDerWaalsContact CB-OH 3.24Å; F698-Y1149 WeakPolarHBondContact CB-OH 3.47Å; F698-Y1149 WeakPolarHBondContact CD1-OH 3.4Å; F698-Y1149 WeakPolarHBondContact CG-OH 3.4Å; Y1149-V1151 VanDerWaalsContact C-N 3.33Å
1150	G	66.1	Low	71.1	Confident	18 Å²	18	52.7 Å²	52.7	19%	0.186	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.7	-1.8	-177.1	0	0	0	0	0	115.4	E697 I1171	E697-G1150 WeakPolarHBondContact OE1-CA 3.43Å; E697-G1150 PolarHBondContact OE1-N 3.17Å; G1150-I1171 PolarHBondContact O-N 3.21Å
1151	V	69.8	Low	71.2	Confident	12 Å²	12	49.8 Å²	49.8	7%	0.073	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	127.5	178.2	-175.1	0	0	0	0	109.9	K1147 N1148 Y1149 L1168 N1169 I1170	K1147-V1151 HydrophobicContact CB-CB 4.31Å; K1147-V1151 VanDerWaalsContact CD-O 3.27Å; K1147-V1151 WeakPolarHBondContact CD-O 3.1Å; K1147-V1151 WeakPolarHBondContact CE-O 3.42Å; K1147-V1151 PolarHBondContact NZ-O 2.92Å; N1148-V1151 HydrophobicContact CB-CG2 4.04Å; N1148-V1151 WeakPolarHBondContact O-CB 3.07Å; N1148-V1151 WeakPolarHBondContact O-CG2 3.26Å; N1148-V1151 PolarHBondContact O-N 2.84Å; Y1149-V1151 VanDerWaalsContact C-N 3.33Å; V1151-L1168 HydrophobicContact CG1-CB 3.89Å; V1151-L1168 HydrophobicContact CG1-CD2 4.29Å; V1151-N1169 WeakPolarHBondContact CA-O 3.5Å; V1151-I1170 HydrophobicContact CG1-CG1 4.33Å; V1151-I1170 HydrophobicContact CG2-CG1 4.02Å; V1151-I1170 HydrophobicContact CG2-CG2 4.42Å
1152	I	68.9	Low	71.1	Confident	50 Å²	50	53.1 Å²	53.1	26%	0.256	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	135.8	177	-55.3	177.7	0	0	0	109.1	Y1154 L1156 N1169 I1171	I1152-Y1154 HydrophobicContact CB-CE2 4.47Å; I1152-Y1154 HydrophobicContact CG2-CD2 3.93Å; I1152-Y1154 HydrophobicContact CG2-CE2 3.57Å; I1152-L1156 HydrophobicContact CG2-CD2 4.42Å; I1152-N1169 PolarHBondContact N-O 3.18Å; I1152-N1169 PolarHBondContact O-N 3.01Å; I1152-I1171 HydrophobicContact CD1-CD1 3.68Å; I1152-I1171 HydrophobicContact CG1-CD1 4.49Å
1153	K	73.1	Confident	71	Confident	5 Å²	5	54.3 Å²	54.3	2%	0.022	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	134.4	177.6	-66	-174.2	-66.9	-167.1	0	110.6	D695 L1145 K1147 L1156 N1159 Y1160 V1166 L1168	D695-K1153 WeakPolarHBondContact OD1-CE 3.47Å; D695-K1153 IonicContact OD1-NZ 2.71Å; D695-K1153 PolarHBondContact OD1-NZ 3.22Å; L1145-K1153 PolarHBondContact O-NZ 2.99Å; K1147-K1153 HydrophobicContact CD-CD 4.25Å; K1147-K1153 HydrophobicContact CD-CG 4.18Å; K1153-L1156 WeakPolarHBondContact O-CD2 3.21Å; K1153-N1159 WeakPolarHBondContact CB-ND2 3.47Å; K1153-Y1160 VanDerWaalsContact NZ-CE1 3.29Å; K1153-Y1160 PolarHBondContact NZ-OH 3.03Å; K1153-V1166 HydrophobicContact CB-CG1 4.14Å; K1153-V1166 HydrophobicContact CD-CG1 4.46Å; K1153-V1166 HydrophobicContact CG-CG1 4.34Å; K1153-L1168 HydrophobicContact CD-CD2 4.11Å; K1153-L1168 HydrophobicContact CG-CD2 3.57Å
1154	Y	71.2	Confident	71.4	Confident	111 Å²	111	56.2 Å²	56.2	44%	0.435	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	141.9	173.5	-88.4	-86.7	0	0	0	111.3	I1152 L1156 V1166 T1167	I1152-Y1154 HydrophobicContact CB-CE2 4.47Å; I1152-Y1154 HydrophobicContact CG2-CD2 3.93Å; I1152-Y1154 HydrophobicContact CG2-CE2 3.57Å; Y1154-L1156 HydrophobicContact CE1-CD1 4.41Å; Y1154-L1156 HydrophobicContact CE1-CG 4.35Å; Y1154-V1166 CarbonylContact O-C 3.44Å; Y1154-V1166 WeakPolarHBondContact O-CA 3.41Å; Y1154-T1167 PolarHBondContact N-O 3.23Å; Y1154-T1167 PolarHBondContact O-N 3.2Å
1155	P	75.7	Confident	71.6	Confident	52 Å²	52	58 Å²	58	34%	0.338	32%	0.322	S	S	.	.	S	Bend	cis	-64.3	157	-8.2	29.6	-37.7	0	0	0	112.8	N1158 N1159 V1164	P1155-N1158 WeakPolarHBondContact CG-OD1 3.37Å; P1155-N1159 WeakPolarHBondContact O-CB 3.28Å; P1155-V1164 HydrophobicContact CG-CG1 3.96Å
1156	L	70.6	Confident	71.8	Confident	105 Å²	105	56.7 Å²	56.7	55%	0.55	32%	0.317	S	S	.	.	S	Bend	trans	-74.8	134.4	172.4	-66	167.8	0	0	0	108.9	I1152 K1153 Y1154	I1152-L1156 HydrophobicContact CG2-CD2 4.42Å; K1153-L1156 WeakPolarHBondContact O-CD2 3.21Å; Y1154-L1156 HydrophobicContact CE1-CD1 4.41Å; Y1154-L1156 HydrophobicContact CE1-CG 4.35Å
1157	G	70.8	Confident	72.1	Confident	14 Å²	14	51.3 Å²	51.3	14%	0.144	29%	0.294	C	S	.	.	S	Bend	trans	103.3	-74.2	174.8	0	0	0	0	0	114.7	N1159	G1157-N1159 VanDerWaalsContact C-N 3.28Å; G1157-N1159 PolarHBondContact O-N 3.24Å
1158	N	75.5	Confident	72.2	Confident	36 Å²	36	52.7 Å²	52.7	19%	0.193	30%	0.303	C	S	.	.			trans	-85.2	11.7	-173.3	70.1	-19.5	0	0	0	115.2	W689 P1155 Y1160 L1161 V1164	W689-N1158 HydrophobicContact CD2-CB 3.62Å; W689-N1158 HydrophobicContact CE3-CB 4Å; W689-N1158 HydrophobicContact CG-CB 3.97Å; W689-N1158 HydrophobicContact CH2-CB 4.35Å; W689-N1158 HydrophobicContact CZ2-CB 4Å; W689-N1158 HydrophobicContact CZ3-CB 4.35Å; P1155-N1158 WeakPolarHBondContact CG-OD1 3.37Å; N1158-Y1160 PolarHBondContact O-N 2.83Å; N1158-L1161 HydrophobicContact CB-CD1 4.11Å; N1158-L1161 HydrophobicContact CB-CG 4.38Å; N1158-L1161 PolarHBondContact O-N 3.43Å; N1158-L1161 VanDerWaalsContact O-N 3.09Å; N1158-V1164 WeakPolarHBondContact O-CG2 3.26Å
1159	N	70.1	Confident	72.5	Confident	2 Å²	2	49.7 Å²	49.7	1%	0.011	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	4.7	-176.6	58.3	12.3	0	0	0	115.5	K1153 P1155 G1157 V1166	K1153-N1159 WeakPolarHBondContact CB-ND2 3.47Å; P1155-N1159 WeakPolarHBondContact O-CB 3.28Å; G1157-N1159 VanDerWaalsContact C-N 3.28Å; G1157-N1159 PolarHBondContact O-N 3.24Å; N1159-V1166 HydrophobicContact CB-CG1 4.07Å; N1159-V1166 HydrophobicContact CB-CG2 3.79Å; N1159-V1166 WeakPolarHBondContact O-CG2 3.41Å
1160	Y	76	Confident	72.3	Confident	2 Å²	2	43.5 Å²	43.5	1%	0.008	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.4	3.4	176.6	-53.8	-62.2	0	0	0	113.4	F692 D695 S1141 C1142 G1143 P1144 L1145 K1153 N1158	F692-Y1160 HydrophobicContact CB-CE2 3.78Å; F692-Y1160 HydrophobicContact CD1-CE2 4.19Å; F692-Y1160 AromaticContact CD2-CD2 3.3Å; F692-Y1160 HydrophobicContact CD2-CD2 3.3Å; F692-Y1160 AromaticContact CD2-CE2 3.17Å; F692-Y1160 HydrophobicContact CD2-CE2 3.17Å; F692-Y1160 HydrophobicContact CD2-CG 4.5Å; F692-Y1160 AromaticContact CE2-CD2 3.29Å; F692-Y1160 HydrophobicContact CE2-CD2 3.29Å; F692-Y1160 AromaticContact CE2-CE2 3.71Å; F692-Y1160 HydrophobicContact CE2-CE2 3.71Å; F692-Y1160 HydrophobicContact CE2-CG 4.22Å; F692-Y1160 AromaticContact CG-CD2 3.95Å; F692-Y1160 HydrophobicContact CG-CD2 3.95Å; F692-Y1160 AromaticContact CG-CE2 3.44Å; F692-Y1160 HydrophobicContact CG-CE2 3.44Å; F692-Y1160 VanDerWaalsContact CG-CE2 3.44Å; F692-Y1160 AromaticContact CZ-CD2 3.93Å; F692-Y1160 HydrophobicContact CZ-CD2 3.93Å; F692-Y1160 HydrophobicContact CZ-CE2 4.38Å; D695-Y1160 PolarHBondContact OD1-OH 3.37Å; S1141-Y1160 CarbonylContact C-O 3.53Å; S1141-Y1160 WeakPolarHBondContact CA-O 3.49Å; S1141-Y1160 VanDerWaalsContact CB-O 3.29Å; S1141-Y1160 WeakPolarHBondContact CB-O 3.46Å; S1141-Y1160 PolarHBondContact OG-O 3.02Å; C1142-Y1160 PolarHBondContact N-O 3.46Å; G1143-Y1160 WeakPolarHBondContact O-CD1 3.35Å; P1144-Y1160 VanDerWaalsContact CA-CE1 3.44Å; P1144-Y1160 HydrophobicContact CB-CE1 4.44Å; L1145-Y1160 HydrophobicContact CB-CD1 4.34Å; L1145-Y1160 HydrophobicContact CB-CE1 3.88Å; L1145-Y1160 HydrophobicContact CD1-CD1 4.37Å; L1145-Y1160 HydrophobicContact CG-CD1 4.04Å; L1145-Y1160 HydrophobicContact CG-CE1 4.1Å; K1153-Y1160 VanDerWaalsContact NZ-CE1 3.29Å; K1153-Y1160 PolarHBondContact NZ-OH 3.03Å; N1158-Y1160 PolarHBondContact O-N 2.83Å
1161	L	81	Confident	71.7	Confident	26 Å²	26	46.1 Å²	46.1	14%	0.136	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-92.7	147.6	-179	-54.6	-171.3	0	0	0	110.7	C632 W689 T1139 N1158 V1164	C632-L1161 HydrophobicContact CB-CD2 4.37Å; W689-L1161 HydrophobicContact CE3-CD1 3.63Å; W689-L1161 HydrophobicContact CH2-CD1 4.15Å; W689-L1161 HydrophobicContact CZ3-CD1 3.32Å; T1139-L1161 HydrophobicContact CG2-CB 4.36Å; T1139-L1161 HydrophobicContact CG2-CD1 3.84Å; T1139-L1161 HydrophobicContact CG2-CD2 3.63Å; T1139-L1161 HydrophobicContact CG2-CG 4.14Å; N1158-L1161 HydrophobicContact CB-CD1 4.11Å; N1158-L1161 HydrophobicContact CB-CG 4.38Å; N1158-L1161 PolarHBondContact O-N 3.43Å; N1158-L1161 VanDerWaalsContact O-N 3.09Å; L1161-V1164 HydrophobicContact CB-CG2 4.12Å; L1161-V1164 WeakPolarHBondContact O-CB 3.47Å; L1161-V1164 PolarHBondContact O-N 2.77Å
1162	D	76.1	Confident	70.7	Confident	79 Å²	79	51.1 Å²	51.1	42%	0.422	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	142.2	176.5	-175.4	34.4	0	0	0	112.1	I1140 V1164	I1140-D1162 HydrophobicContact CB-CB 3.76Å; I1140-D1162 HydrophobicContact CG2-CB 4.08Å; I1140-D1162 PolarHBondContact O-N 2.61Å; D1162-V1164 VanDerWaalsContact C-N 3.26Å; D1162-V1164 PolarHBondContact O-N 3.26Å
1163	G	72.8	Confident	69.4	Low	70 Å²	70	54 Å²	54	72%	0.722	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.4	-6.6	-175.4	0	0	0	0	0	116.3
1164	V	79.1	Confident	67.7	Low	41 Å²	41	57.7 Å²	57.7	25%	0.248	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-85.4	121.1	178	-178.1	0	0	0	0	110.6	P1155 N1158 L1161 D1162 V1166	P1155-V1164 HydrophobicContact CG-CG1 3.96Å; N1158-V1164 WeakPolarHBondContact O-CG2 3.26Å; L1161-V1164 HydrophobicContact CB-CG2 4.12Å; L1161-V1164 WeakPolarHBondContact O-CB 3.47Å; L1161-V1164 PolarHBondContact O-N 2.77Å; D1162-V1164 VanDerWaalsContact C-N 3.26Å; D1162-V1164 PolarHBondContact O-N 3.26Å; V1164-V1166 PolarHBondContact O-N 2.79Å
1165	A	76.2	Confident	65.8	Low	79 Å²	79	62 Å²	62	65%	0.653	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-79.1	119	171.9	0	0	0	0	0	110.1
1166	V	71.9	Confident	63.9	Low	46 Å²	46	66.9 Å²	66.9	28%	0.279	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-101.4	123.4	-178.2	-173.7	0	0	0	0	110.1	K1153 Y1154 N1159 V1164 L1168	K1153-V1166 HydrophobicContact CB-CG1 4.14Å; K1153-V1166 HydrophobicContact CD-CG1 4.46Å; K1153-V1166 HydrophobicContact CG-CG1 4.34Å; Y1154-V1166 CarbonylContact O-C 3.44Å; Y1154-V1166 WeakPolarHBondContact O-CA 3.41Å; N1159-V1166 HydrophobicContact CB-CG1 4.07Å; N1159-V1166 HydrophobicContact CB-CG2 3.79Å; N1159-V1166 WeakPolarHBondContact O-CG2 3.41Å; V1164-V1166 PolarHBondContact O-N 2.79Å; V1166-L1168 HydrophobicContact CG1-CD2 4.26Å
1167	T	73.1	Confident	62.7	Low	33 Å²	33	69.5 Å²	69.5	20%	0.202	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	128.5	171.6	-52.3	0	0	0	0	109.6	Y1154 N1169	Y1154-T1167 PolarHBondContact N-O 3.23Å; Y1154-T1167 PolarHBondContact O-N 3.2Å; T1167-N1169 WeakPolarHBondContact CG2-OD1 3.32Å
1168	L	70.8	Confident	61.2	Low	67 Å²	67	77.1 Å²	77.1	35%	0.351	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	99.7	174	-59.2	-175.7	0	0	0	108.9	V1151 K1153 V1166	V1151-L1168 HydrophobicContact CG1-CB 3.89Å; V1151-L1168 HydrophobicContact CG1-CD2 4.29Å; K1153-L1168 HydrophobicContact CD-CD2 4.11Å; K1153-L1168 HydrophobicContact CG-CD2 3.57Å; V1166-L1168 HydrophobicContact CG1-CD2 4.26Å
1169	N	68.1	Low	59.1	Low	22 Å²	22	81.1 Å²	81.1	12%	0.118	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	122.5	175.4	-71.3	-22.2	0	0	0	109	V1151 I1152 T1167	V1151-N1169 WeakPolarHBondContact CA-O 3.5Å; I1152-N1169 PolarHBondContact N-O 3.18Å; I1152-N1169 PolarHBondContact O-N 3.01Å; T1167-N1169 WeakPolarHBondContact CG2-OD1 3.32Å
1170	I	62.5	Low	57.2	Low	44 Å²	44	86.5 Å²	86.5	23%	0.226	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	119.2	178.9	-51.4	167.8	0	0	0	107.6	V1151 F1172 I1208	V1151-I1170 HydrophobicContact CG1-CG1 4.33Å; V1151-I1170 HydrophobicContact CG2-CG1 4.02Å; V1151-I1170 HydrophobicContact CG2-CG2 4.42Å; I1170-F1172 HydrophobicContact CB-CD2 4.3Å; I1170-F1172 HydrophobicContact CB-CE2 3.76Å; I1170-F1172 HydrophobicContact CB-CZ 4.16Å; I1170-F1172 HydrophobicContact CD1-CE2 4.38Å; I1170-F1172 HydrophobicContact CD1-CZ 4.31Å; I1170-F1172 HydrophobicContact CG2-CD1 4.3Å; I1170-F1172 HydrophobicContact CG2-CD2 3.86Å; I1170-F1172 HydrophobicContact CG2-CE1 3.88Å; I1170-F1172 HydrophobicContact CG2-CE2 3.4Å; I1170-F1172 VanDerWaalsContact CG2-CE2 3.4Å; I1170-F1172 HydrophobicContact CG2-CG 4.3Å; I1170-F1172 HydrophobicContact CG2-CZ 3.42Å; I1170-F1172 VanDerWaalsContact CG2-CZ 3.42Å; I1170-I1208 HydrophobicContact CD1-CD1 3.16Å
1171	I	53.6	Low	54.9	Low	73 Å²	73	93.1 Å²	93.1	37%	0.374	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	111.2	172.6	-58.4	173.4	0	0	0	107.1	G1150 I1152 T1182	G1150-I1171 PolarHBondContact O-N 3.21Å; I1152-I1171 HydrophobicContact CD1-CD1 3.68Å; I1152-I1171 HydrophobicContact CG1-CD1 4.49Å; I1171-T1182 HydrophobicContact CG2-CG2 4.05Å
1172	F	48.5	Very low	52.5	Low	117 Å²	117	96.4 Å²	96.4	51%	0.513	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	119.7	167.8	-63.5	-81.9	0	0	0	108.9	I1170 V1174 I1208	I1170-F1172 HydrophobicContact CB-CD2 4.3Å; I1170-F1172 HydrophobicContact CB-CE2 3.76Å; I1170-F1172 HydrophobicContact CB-CZ 4.16Å; I1170-F1172 HydrophobicContact CD1-CE2 4.38Å; I1170-F1172 HydrophobicContact CD1-CZ 4.31Å; I1170-F1172 HydrophobicContact CG2-CD1 4.3Å; I1170-F1172 HydrophobicContact CG2-CD2 3.86Å; I1170-F1172 HydrophobicContact CG2-CE1 3.88Å; I1170-F1172 HydrophobicContact CG2-CE2 3.4Å; I1170-F1172 VanDerWaalsContact CG2-CE2 3.4Å; I1170-F1172 HydrophobicContact CG2-CG 4.3Å; I1170-F1172 HydrophobicContact CG2-CZ 3.42Å; I1170-F1172 VanDerWaalsContact CG2-CZ 3.42Å; F1172-V1174 PolarHBondContact O-N 2.93Å; F1172-I1208 HydrophobicContact CZ-CD1 4.44Å
1173	T	40.5	Very low	50.4	Low	111 Å²	111	100.2 Å²	100.2	68%	0.681	55%	0.55	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-81.7	102.7	160.2	18.3	0	0	0	0	108	Q1175	T1173-Q1175 PolarHBondContact O-N 3.06Å
1174	V	36.9	Very low	48.3	Very low	82 Å²	82	103.2 Å²	103.2	50%	0.497	55%	0.549	S	S	.	.			trans	-81.8	106.7	169.5	-177.2	0	0	0	0	107	F1172 K1176	F1172-V1174 PolarHBondContact O-N 2.93Å; V1174-K1176 HydrophobicContact CG1-CB 4.24Å; V1174-K1176 HydrophobicContact CG1-CD 4.39Å; V1174-K1176 HydrophobicContact CG1-CG 4.07Å; V1174-K1176 PolarHBondContact O-N 3.39Å
1175	Q	32.2	Very low	46.2	Very low	201 Å²	201	103.6 Å²	103.6	94%	0.939	56%	0.561	S	S	*	*			trans	-71.9	84.2	167	-163.9	175.4	9.3	0	0	107.4	T1173	T1173-Q1175 PolarHBondContact O-N 3.06Å
1176	K	36.4	Very low	44.1	Very low	155 Å²	155	106.8 Å²	106.8	67%	0.674	56%	0.563	S	S	*	*	B	Isolated β-bridge	trans	-100.1	132.3	166.4	-110.8	-180	177.5	176.9	0	107.3	V1174 D1178 I1179	V1174-K1176 HydrophobicContact CG1-CB 4.24Å; V1174-K1176 HydrophobicContact CG1-CD 4.39Å; V1174-K1176 HydrophobicContact CG1-CG 4.07Å; V1174-K1176 PolarHBondContact O-N 3.39Å; K1176-D1178 PolarHBondContact O-N 3.42Å; K1176-I1179 PolarHBondContact O-N 3.41Å
1177	D	43.9	Very low	42.3	Very low	159 Å²	159	109.8 Å²	109.8	85%	0.85	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-23	105.7	178.3	-56.4	-45.7	0	0	0	112.8	I1179	D1177-I1179 VanDerWaalsContact C-N 3.32Å; D1177-I1179 PolarHBondContact O-N 3.15Å; D1177-I1179 VanDerWaalsContact O-N 3.11Å
1178	D	40.3	Very low	40.3	Very low	175 Å²	175	114.8 Å²	114.8	94%	0.936	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	58.9	9.8	172	-63.1	-26.8	0	0	0	120.2	K1176	K1176-D1178 PolarHBondContact O-N 3.42Å
1179	I	32.1	Very low	38.5	Very low	119 Å²	119	114 Å²	114	61%	0.61	61%	0.611	S	S	*	*	B	Isolated β-bridge	trans	-137.3	111.5	174.7	-49.8	177.1	0	0	0	110.7	K1176 D1177 E1181	K1176-I1179 PolarHBondContact O-N 3.41Å; D1177-I1179 VanDerWaalsContact C-N 3.32Å; D1177-I1179 PolarHBondContact O-N 3.15Å; D1177-I1179 VanDerWaalsContact O-N 3.11Å; I1179-E1181 HydrophobicContact CG2-CG 4.29Å; I1179-E1181 PolarHBondContact O-N 3.17Å
1180	V	29.7	Very low	36.5	Very low	115 Å²	115	116.7 Å²	116.7	70%	0.697	64%	0.644	S	S	*	*			trans	-79.1	95.3	173.6	-178	0	0	0	0	108.5
1181	E	27.8	Very low	34.9	Very low	141 Å²	141	124.7 Å²	124.7	66%	0.659	67%	0.672	S	S	*	*			trans	-97.4	122.8	164.9	-82.2	-177	162.1	0	0	109.9	I1179	I1179-E1181 HydrophobicContact CG2-CG 4.29Å; I1179-E1181 PolarHBondContact O-N 3.17Å
1182	T	29.7	Very low	33.7	Very low	95 Å²	95	124.3 Å²	124.3	58%	0.583	69%	0.686	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-94.4	102.2	173.6	-1.7	0	0	0	0	108.8	I1171	I1171-T1182 HydrophobicContact CG2-CG2 4.05Å
1183	E	31.5	Very low	32.8	Very low	160 Å²	160	122.7 Å²	122.7	75%	0.748	69%	0.694	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-90.5	129	170.4	-84.6	-172.8	154	0	0	110.9
1184	L	29.7	Very low	32.1	Very low	132 Å²	132	125.1 Å²	125.1	69%	0.691	70%	0.703	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-93.3	107.1	175	-136.9	94	0	0	0	108.8
1185	G	35.2	Very low	31.8	Very low	49 Å²	49	126.4 Å²	126.4	51%	0.505	71%	0.711	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-88.4	120.7	172.9	0	0	0	0	0	111.4
1186	Q	31.8	Very low	31.6	Very low	146 Å²	146	120.4 Å²	120.4	68%	0.682	69%	0.69	S	S	*	*			trans	-97.4	132	176.4	-164.3	174.7	-7.4	0	0	109.8
1187	L	34.1	Very low	31.3	Very low	110 Å²	110	115.5 Å²	115.5	58%	0.576	68%	0.679	S	S	*	*			trans	-118.3	104	175.4	-122.9	107.4	0	0	0	109.7	G1189 F1210	L1187-G1189 PolarHBondContact O-N 2.79Å; L1187-G1189 VanDerWaalsContact O-N 3.16Å; L1187-F1210 HydrophobicContact CD2-CE2 3.87Å; L1187-F1210 HydrophobicContact CD2-CZ 4.37Å
1188	D	30.7	Very low	30.6	Very low	137 Å²	137	110.5 Å²	110.5	73%	0.733	65%	0.652	S	S	*	*			trans	-80.1	89.2	175.7	-76.4	-23.5	0	0	0	110.4	G1190	D1188-G1190 PolarHBondContact O-N 2.82Å
1189	G	33.3	Very low	30.1	Very low	52 Å²	52	108.2 Å²	108.2	54%	0.536	64%	0.639	S	S	.	*			trans	-93	81.6	174	0	0	0	0	0	112.1	L1187 Y1191	L1187-G1189 PolarHBondContact O-N 2.79Å; L1187-G1189 VanDerWaalsContact O-N 3.16Å; G1189-Y1191 PolarHBondContact O-N 3.24Å; G1189-Y1191 VanDerWaalsContact O-N 3.1Å
1190	G	26	Very low	29.8	Very low	78 Å²	78	105.7 Å²	105.7	80%	0.804	63%	0.631	S	S	*	*			trans	-74.1	90.7	172.3	0	0	0	0	0	111.8	D1188	D1188-G1190 PolarHBondContact O-N 2.82Å
1191	Y	29.9	Very low	30.1	Very low	212 Å²	212	105.9 Å²	105.9	83%	0.831	62%	0.62	S	S	*	*			trans	-116.7	125.4	170.6	-73	-79.2	0	0	0	110.6	G1189	G1189-Y1191 PolarHBondContact O-N 3.24Å; G1189-Y1191 VanDerWaalsContact O-N 3.1Å
1192	G	27.7	Very low	30.1	Very low	64 Å²	64	104.6 Å²	104.6	66%	0.66	62%	0.622	S	S	*	*			trans	-63.5	160.3	-175.8	0	0	0	0	0	114	D1194	G1192-D1194 PolarHBondContact O-N 3.05Å
1193	A	29.2	Very low	29.9	Very low	83 Å²	83	109.8 Å²	109.8	69%	0.686	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.6	17	-163.2	0	0	0	0	0	118.9
1194	D	26.1	Very low	29.7	Very low	163 Å²	163	107.4 Å²	107.4	87%	0.872	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.5	11.4	-175.6	-98.7	-21.8	0	0	0	114.9	G1192	G1192-D1194 PolarHBondContact O-N 3.05Å
1195	V	30.4	Very low	30	Very low	108 Å²	108	108 Å²	108	66%	0.655	63%	0.632	S	S	*	*			trans	-128.9	60.4	-174.4	-163.6	0	0	0	0	111.6	A1197	V1195-A1197 WeakPolarHBondContact CG1-O 2.95Å; V1195-A1197 PolarHBondContact O-N 3.39Å
1196	C	28.5	Very low	29.9	Very low	75 Å²	75	116.1 Å²	116.1	51%	0.507	65%	0.653	S	S	.	*			trans	-75.5	14.9	166.4	-105.8	0	0	0	0	113.3	C1142	C1142-C1196 HydrophobicContact CB-CB 4.49Å
1197	A	29.5	Very low	29.8	Very low	52 Å²	52	112.9 Å²	112.9	43%	0.43	64%	0.643	S	S	.	*	S	Bend	trans	-135.3	142.6	-178.3	0	0	0	0	0	108.6	V1195	V1195-A1197 WeakPolarHBondContact CG1-O 2.95Å; V1195-A1197 PolarHBondContact O-N 3.39Å
1198	L	29.5	Very low	29.5	Very low	54 Å²	54	112 Å²	112	28%	0.283	64%	0.638	S	S	.	*			trans	90.3	69.1	164.6	-58.1	64.5	0	0	0	118.7	R1213 T1214	L1198-R1213 HydrophobicContact CB-CB 3.78Å; L1198-R1213 HydrophobicContact CB-CG 3.64Å; L1198-R1213 HydrophobicContact CD2-CB 3.49Å; L1198-R1213 VanDerWaalsContact CD2-CB 3.49Å; L1198-R1213 HydrophobicContact CD2-CG 4.26Å; L1198-R1213 HydrophobicContact CG-CB 3.42Å; L1198-R1213 VanDerWaalsContact CG-CB 3.42Å; L1198-R1213 VanDerWaalsContact CG-CD 3.49Å; L1198-R1213 HydrophobicContact CG-CG 3.63Å; L1198-T1214 HydrophobicContact CD2-CG2 4.31Å
1199	L	29.4	Very low	29.5	Very low	128 Å²	128	113 Å²	113	67%	0.67	63%	0.633	S	S	*	*			trans	-136.6	107.1	153.5	-75.9	168.1	0	0	0	110.6	F1210	L1199-F1210 HydrophobicContact CD2-CB 4.29Å; L1199-F1210 HydrophobicContact CD2-CD1 4.28Å
1200	C	26.5	Very low	29.4	Very low	65 Å²	65	116.2 Å²	116.2	44%	0.439	63%	0.632	S	S	.	*	B	Isolated β-bridge	trans	-114.5	146.9	167.3	-82	0	0	0	0	109.2	E1216	C1200-E1216 WeakPolarHBondContact CB-OE2 3.38Å
1201	Y	35.4	Very low	29.8	Very low	119 Å²	119	116.6 Å²	116.6	47%	0.467	62%	0.615	S	S	.	*			trans	-114.2	142.4	-166.8	53.5	-85.9	0	0	0	113.3	E1146	E1146-Y1201 HydrophobicContact CB-CE1 4.15Å; E1146-Y1201 PolarHBondContact OE2-OH 3.08Å
1202	V	27.9	Very low	30.1	Very low	115 Å²	115	109 Å²	109	70%	0.697	60%	0.596	S	S	*	*			trans	-127.5	130.3	170.6	179.4	0	0	0	0	109.7	L1204	V1202-L1204 HydrophobicContact CG1-CD1 4.18Å; V1202-L1204 PolarHBondContact O-N 3.44Å
1203	K	25.8	Very low	30.7	Very low	204 Å²	204	110.7 Å²	110.7	89%	0.887	58%	0.582	S	S	*	*			trans	-83.4	106.9	178.8	-165.6	177.5	-172.7	175.5	0	109.7
1204	L	26.2	Very low	31.5	Very low	109 Å²	109	111.2 Å²	111.2	57%	0.571	58%	0.577	S	S	*	*	B	Isolated β-bridge	trans	-128.9	118.3	170.9	-96.5	150.1	0	0	0	110.3	V1202 K1206 V1207	V1202-L1204 HydrophobicContact CG1-CD1 4.18Å; V1202-L1204 PolarHBondContact O-N 3.44Å; L1204-K1206 PolarHBondContact O-N 2.99Å; L1204-V1207 PolarHBondContact O-N 2.79Å; L1204-V1207 VanDerWaalsContact O-O 3.06Å
1205	N	36.2	Very low	32.6	Very low	145 Å²	145	109.1 Å²	109.1	78%	0.775	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	46.9	53.8	160.1	-69.2	-12.5	0	0	0	117.6	V1207	N1205-V1207 PolarHBondContact O-N 2.76Å
1206	K	34	Very low	33.4	Very low	219 Å²	219	106.9 Å²	106.9	95%	0.952	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.4	10.8	171.6	-66.9	-175.4	173.4	-177.1	0	115.6	L1204	L1204-K1206 PolarHBondContact O-N 2.99Å
1207	V	29.1	Very low	34.8	Very low	78 Å²	78	106.3 Å²	106.3	47%	0.473	54%	0.536	S	S	.	.	B	Isolated β-bridge	trans	-124.6	126.7	176	-177.2	0	0	0	0	108.3	L1204 N1205 Y1209	L1204-V1207 PolarHBondContact O-N 2.79Å; L1204-V1207 VanDerWaalsContact O-O 3.06Å; N1205-V1207 PolarHBondContact O-N 2.76Å; V1207-Y1209 HydrophobicContact CB-CE2 3.96Å; V1207-Y1209 HydrophobicContact CG1-CD2 4.33Å; V1207-Y1209 HydrophobicContact CG1-CE1 4.45Å; V1207-Y1209 HydrophobicContact CG1-CE2 3.66Å
1208	I	28.2	Very low	36.6	Very low	91 Å²	91	106.6 Å²	106.6	47%	0.467	54%	0.539	S	S	.	.			trans	-91.1	125	-176.8	-63	169.9	0	0	0	108.4	I1170 F1172 F1210	I1170-I1208 HydrophobicContact CD1-CD1 3.16Å; F1172-I1208 HydrophobicContact CZ-CD1 4.44Å; I1208-F1210 HydrophobicContact CG2-CE2 4.11Å; I1208-F1210 HydrophobicContact CG2-CZ 4.17Å
1209	Y	30	Very low	38.4	Very low	159 Å²	159	109.5 Å²	109.5	62%	0.624	55%	0.554	S	S	*	*			trans	-115	135.2	172.4	-64.3	-86.7	0	0	0	109.4	V1207	V1207-Y1209 HydrophobicContact CB-CE2 3.96Å; V1207-Y1209 HydrophobicContact CG1-CD2 4.33Å; V1207-Y1209 HydrophobicContact CG1-CE1 4.45Å; V1207-Y1209 HydrophobicContact CG1-CE2 3.66Å
1210	F	32.8	Very low	40.3	Very low	120 Å²	120	108.2 Å²	108.2	53%	0.526	54%	0.543	S	S	.	.			trans	-97.5	115.2	172.7	-61	-90.1	0	0	0	108.2	L1187 L1199 I1208	L1187-F1210 HydrophobicContact CD2-CE2 3.87Å; L1187-F1210 HydrophobicContact CD2-CZ 4.37Å; L1199-F1210 HydrophobicContact CD2-CB 4.29Å; L1199-F1210 HydrophobicContact CD2-CD1 4.28Å; I1208-F1210 HydrophobicContact CG2-CE2 4.11Å; I1208-F1210 HydrophobicContact CG2-CZ 4.17Å
1211	L	33.6	Very low	42.7	Very low	86 Å²	86	114.1 Å²	114.1	45%	0.45	56%	0.557	S	S	.	*	B	Isolated β-bridge	trans	-108.8	135.2	173.3	-104.3	80.9	0	0	0	109.8	E1215	L1211-E1215 HydrophobicContact CD2-CB 4Å; L1211-E1215 WeakPolarHBondContact CD2-OE2 3.4Å
1212	A	35.4	Very low	44.9	Very low	51 Å²	51	113.4 Å²	113.4	42%	0.421	56%	0.56	S	S	.	*			trans	-66.9	137.9	167.4	0	0	0	0	0	109.9	T1214 E1215	A1212-T1214 PolarHBondContact O-N 3.03Å; A1212-E1215 PolarHBondContact O-N 3.09Å; A1212-E1215 VanDerWaalsContact O-N 3.09Å
1213	R	40.1	Very low	47.3	Very low	100 Å²	100	111.7 Å²	111.7	38%	0.377	55%	0.55	S	S	.	*	H	α-helix	trans	-56.3	-8.7	172.7	-61.3	168.5	141.4	165.4	-2.4	113.2	L1198 E1215 E1216 D1217	L1198-R1213 HydrophobicContact CB-CB 3.78Å; L1198-R1213 HydrophobicContact CB-CG 3.64Å; L1198-R1213 HydrophobicContact CD2-CB 3.49Å; L1198-R1213 VanDerWaalsContact CD2-CB 3.49Å; L1198-R1213 HydrophobicContact CD2-CG 4.26Å; L1198-R1213 HydrophobicContact CG-CB 3.42Å; L1198-R1213 VanDerWaalsContact CG-CB 3.42Å; L1198-R1213 VanDerWaalsContact CG-CD 3.49Å; L1198-R1213 HydrophobicContact CG-CG 3.63Å; R1213-E1215 PolarHBondContact O-N 2.81Å; R1213-E1215 VanDerWaalsContact O-N 3.16Å; R1213-E1216 HydrophobicContact CB-CB 4.35Å; R1213-E1216 PolarHBondContact O-N 2.84Å; R1213-E1216 VanDerWaalsContact O-N 3.13Å; R1213-D1217 VanDerWaalsContact O-CB 3.22Å; R1213-D1217 WeakPolarHBondContact O-CB 3.37Å; R1213-D1217 PolarHBondContact O-N 3.08Å
1214	T	47	Very low	50.1	Low	95 Å²	95	103.8 Å²	103.8	58%	0.583	53%	0.526	S	S	*	.	H	α-helix	trans	-53.8	-36.4	171.1	48.6	0	0	0	0	111.2	L1198 A1212 A1218	L1198-T1214 HydrophobicContact CD2-CG2 4.31Å; A1212-T1214 PolarHBondContact O-N 3.03Å; T1214-A1218 VanDerWaalsContact O-CB 3.23Å; T1214-A1218 WeakPolarHBondContact O-CB 3.19Å; T1214-A1218 PolarHBondContact O-N 2.84Å; T1214-A1218 VanDerWaalsContact O-N 3.15Å
1215	E	49.7	Very low	53	Low	118 Å²	118	102.9 Å²	102.9	55%	0.551	52%	0.521	S	S	*	.	H	α-helix	trans	-80.5	-36.5	175.4	-68.9	-173.6	-173	0	0	112.8	L1211 A1212 R1213 A1218 L1219	L1211-E1215 HydrophobicContact CD2-CB 4Å; L1211-E1215 WeakPolarHBondContact CD2-OE2 3.4Å; A1212-E1215 PolarHBondContact O-N 3.09Å; A1212-E1215 VanDerWaalsContact O-N 3.09Å; R1213-E1215 PolarHBondContact O-N 2.81Å; R1213-E1215 VanDerWaalsContact O-N 3.16Å; E1215-A1218 CarbonylContact O-C 3.59Å; E1215-A1218 WeakPolarHBondContact O-CB 3.43Å; E1215-A1218 PolarHBondContact O-N 2.71Å; E1215-L1219 WeakPolarHBondContact O-CB 3.22Å; E1215-L1219 PolarHBondContact O-N 2.74Å
1216	E	47.6	Very low	55.6	Low	62 Å²	62	99.1 Å²	99.1	29%	0.29	50%	0.503	S	S	.	.	H	α-helix	trans	-69.9	-41.3	177.6	-159.9	-160.8	157.7	0	0	112	C1200 R1213 A1218 L1219 K1220	C1200-E1216 WeakPolarHBondContact CB-OE2 3.38Å; R1213-E1216 HydrophobicContact CB-CB 4.35Å; R1213-E1216 PolarHBondContact O-N 2.84Å; R1213-E1216 VanDerWaalsContact O-N 3.13Å; E1216-A1218 VanDerWaalsContact C-N 3.33Å; E1216-L1219 CarbonylContact O-C 3.11Å; E1216-L1219 WeakPolarHBondContact O-CA 3.34Å; E1216-L1219 WeakPolarHBondContact O-CB 3.4Å; E1216-L1219 PolarHBondContact O-N 3.12Å; E1216-L1219 VanDerWaalsContact O-N 3.13Å; E1216-K1220 WeakPolarHBondContact O-CB 3.38Å; E1216-K1220 WeakPolarHBondContact O-CG 3.32Å; E1216-K1220 PolarHBondContact O-N 3.46Å; E1216-K1220 WeakPolarHBondContact OE1-CE 3.28Å; E1216-K1220 IonicContact OE1-NZ 3.98Å; E1216-K1220 PolarHBondContact OE1-NZ 3.01Å; E1216-K1220 IonicContact OE2-NZ 3.87Å
1217	D	56.2	Low	58.3	Low	62 Å²	62	92.5 Å²	92.5	33%	0.332	48%	0.481	S	S	.	.	H	α-helix	trans	-64.4	-41.8	172.9	-70.7	-22.1	0	0	0	109.3	R1213 L1219 K1220 W1221	R1213-D1217 VanDerWaalsContact O-CB 3.22Å; R1213-D1217 WeakPolarHBondContact O-CB 3.37Å; R1213-D1217 PolarHBondContact O-N 3.08Å; D1217-L1219 VanDerWaalsContact C-N 3.28Å; D1217-L1219 PolarHBondContact O-N 2.95Å; D1217-K1220 PolarHBondContact O-N 3.2Å; D1217-W1221 VanDerWaalsContact O-CB 3.29Å; D1217-W1221 WeakPolarHBondContact O-CB 3.4Å; D1217-W1221 PolarHBondContact O-N 2.61Å
1218	A	67.4	Low	61.2	Low	59 Å²	59	92 Å²	92	49%	0.488	48%	0.481	S	S	.	.	H	α-helix	trans	-59.8	-39.6	170.7	0	0	0	0	0	111.7	T1214 E1215 E1216 L1222	T1214-A1218 VanDerWaalsContact O-CB 3.23Å; T1214-A1218 WeakPolarHBondContact O-CB 3.19Å; T1214-A1218 PolarHBondContact O-N 2.84Å; T1214-A1218 VanDerWaalsContact O-N 3.15Å; E1215-A1218 CarbonylContact O-C 3.59Å; E1215-A1218 WeakPolarHBondContact O-CB 3.43Å; E1215-A1218 PolarHBondContact O-N 2.71Å; E1216-A1218 VanDerWaalsContact C-N 3.33Å; A1218-L1222 WeakPolarHBondContact O-CB 3.21Å; A1218-L1222 PolarHBondContact O-N 3.45Å
1219	L	68.3	Low	64.1	Low	115 Å²	115	91.5 Å²	91.5	60%	0.602	48%	0.482	S	S	*	.	H	α-helix	trans	-69	-38.8	177.3	-138.6	87.5	0	0	0	112.1	E1215 E1216 D1217 L1222 T1223	E1215-L1219 WeakPolarHBondContact O-CB 3.22Å; E1215-L1219 PolarHBondContact O-N 2.74Å; E1216-L1219 CarbonylContact O-C 3.11Å; E1216-L1219 WeakPolarHBondContact O-CA 3.34Å; E1216-L1219 WeakPolarHBondContact O-CB 3.4Å; E1216-L1219 PolarHBondContact O-N 3.12Å; E1216-L1219 VanDerWaalsContact O-N 3.13Å; D1217-L1219 VanDerWaalsContact C-N 3.28Å; D1217-L1219 PolarHBondContact O-N 2.95Å; L1219-L1222 PolarHBondContact O-N 2.97Å; L1219-T1223 PolarHBondContact O-N 2.66Å; L1219-T1223 PolarHBondContact O-OG1 2.91Å
1220	K	69.7	Low	67	Low	101 Å²	101	88.3 Å²	88.3	44%	0.439	48%	0.475	S	S	.	.	H	α-helix	trans	-67.5	-42.5	175.2	-78.6	174.2	-176.5	157.2	0	111.3	E1216 D1217 T1223 G1224	E1216-K1220 WeakPolarHBondContact O-CB 3.38Å; E1216-K1220 WeakPolarHBondContact O-CG 3.32Å; E1216-K1220 PolarHBondContact O-N 3.46Å; E1216-K1220 WeakPolarHBondContact OE1-CE 3.28Å; E1216-K1220 IonicContact OE1-NZ 3.98Å; E1216-K1220 PolarHBondContact OE1-NZ 3.01Å; E1216-K1220 IonicContact OE2-NZ 3.87Å; D1217-K1220 PolarHBondContact O-N 3.2Å; K1220-T1223 WeakPolarHBondContact CA-OG1 3.47Å; K1220-T1223 PolarHBondContact O-N 3.2Å; K1220-T1223 PolarHBondContact O-OG1 3.08Å; K1220-G1224 PolarHBondContact O-N 2.91Å
1221	W	75.3	Confident	69.8	Low	189 Å²	189	86.9 Å²	86.9	72%	0.716	47%	0.472	S	S	*	.	H	α-helix	trans	-61.5	-47.2	171.1	-84	109.8	0	0	0	110.1	D1217 T1223 G1224 I1225	D1217-W1221 VanDerWaalsContact O-CB 3.29Å; D1217-W1221 WeakPolarHBondContact O-CB 3.4Å; D1217-W1221 PolarHBondContact O-N 2.61Å; W1221-T1223 PolarHBondContact O-N 3.05Å; W1221-G1224 PolarHBondContact O-N 2.95Å; W1221-I1225 WeakPolarHBondContact O-CB 3.18Å; W1221-I1225 WeakPolarHBondContact O-CD1 3.33Å; W1221-I1225 WeakPolarHBondContact O-CG1 3.48Å; W1221-I1225 PolarHBondContact O-N 2.82Å
1222	L	81.5	Confident	72.6	Confident	104 Å²	104	86.9 Å²	86.9	55%	0.545	48%	0.475	S	S	.	.	H	α-helix	trans	-60.4	-46.6	177.2	-167.7	86.3	0	0	0	111.3	A1218 L1219 I1225 V1226	A1218-L1222 WeakPolarHBondContact O-CB 3.21Å; A1218-L1222 PolarHBondContact O-N 3.45Å; L1219-L1222 PolarHBondContact O-N 2.97Å; L1222-I1225 PolarHBondContact O-N 3.08Å; L1222-V1226 HydrophobicContact CG-CG2 4.42Å; L1222-V1226 VanDerWaalsContact O-CB 3.32Å; L1222-V1226 WeakPolarHBondContact O-CB 3.21Å; L1222-V1226 WeakPolarHBondContact O-CG2 3.1Å; L1222-V1226 PolarHBondContact O-N 3.2Å
1223	T	80.1	Confident	75.2	Confident	79 Å²	79	87 Å²	87	49%	0.485	48%	0.476	S	S	.	.	H	α-helix	trans	-65.4	-42.1	176.5	23.8	0	0	0	0	111.5	L1219 K1220 W1221 I1225 V1226 V1227	L1219-T1223 PolarHBondContact O-N 2.66Å; L1219-T1223 PolarHBondContact O-OG1 2.91Å; K1220-T1223 WeakPolarHBondContact CA-OG1 3.47Å; K1220-T1223 PolarHBondContact O-N 3.2Å; K1220-T1223 PolarHBondContact O-OG1 3.08Å; W1221-T1223 PolarHBondContact O-N 3.05Å; T1223-I1225 VanDerWaalsContact C-N 3.33Å; T1223-I1225 PolarHBondContact O-N 3.12Å; T1223-V1226 PolarHBondContact O-N 3.01Å; T1223-V1227 WeakPolarHBondContact O-CB 3.37Å; T1223-V1227 VanDerWaalsContact O-CG2 3.23Å; T1223-V1227 WeakPolarHBondContact O-CG2 3.22Å; T1223-V1227 PolarHBondContact O-N 3.01Å
1224	G	83.7	Confident	77.6	Confident	37 Å²	37	87.2 Å²	87.2	38%	0.381	48%	0.484	S	S	.	.	H	α-helix	trans	-60.9	-41.1	174.6	0	0	0	0	0	112.2	K1220 W1221 S1228	K1220-G1224 PolarHBondContact O-N 2.91Å; W1221-G1224 PolarHBondContact O-N 2.95Å; G1224-S1228 WeakPolarHBondContact O-CB 3.38Å; G1224-S1228 PolarHBondContact O-N 3.08Å; G1224-S1228 PolarHBondContact O-OG 2.89Å
1225	I	87.8	Confident	79.7	Confident	91 Å²	91	87.6 Å²	87.6	47%	0.467	48%	0.481	S	S	.	.	H	α-helix	trans	-68.1	-45.2	175.4	-68.4	162.8	0	0	0	110.6	W1221 L1222 T1223 S1228 T1229	W1221-I1225 WeakPolarHBondContact O-CB 3.18Å; W1221-I1225 WeakPolarHBondContact O-CD1 3.33Å; W1221-I1225 WeakPolarHBondContact O-CG1 3.48Å; W1221-I1225 PolarHBondContact O-N 2.82Å; L1222-I1225 PolarHBondContact O-N 3.08Å; T1223-I1225 VanDerWaalsContact C-N 3.33Å; T1223-I1225 PolarHBondContact O-N 3.12Å; I1225-S1228 PolarHBondContact O-N 3.34Å; I1225-T1229 HydrophobicContact CG2-CG2 4.32Å; I1225-T1229 WeakPolarHBondContact O-CB 3.44Å; I1225-T1229 VanDerWaalsContact O-CG2 3.25Å; I1225-T1229 WeakPolarHBondContact O-CG2 3.3Å; I1225-T1229 PolarHBondContact O-N 2.93Å; I1225-T1229 PolarHBondContact O-OG1 2.94Å
1226	V	90.1	Very high	81.7	Confident	66 Å²	66	85.5 Å²	85.5	40%	0.4	48%	0.477	S	S	.	.	H	α-helix	trans	-65.1	-45.4	179.9	169.8	0	0	0	0	111.1	L1222 T1223 T1229 I1230	L1222-V1226 HydrophobicContact CG-CG2 4.42Å; L1222-V1226 VanDerWaalsContact O-CB 3.32Å; L1222-V1226 WeakPolarHBondContact O-CB 3.21Å; L1222-V1226 WeakPolarHBondContact O-CG2 3.1Å; L1222-V1226 PolarHBondContact O-N 3.2Å; T1223-V1226 PolarHBondContact O-N 3.01Å; V1226-T1229 VanDerWaalsContact CA-OG1 3.3Å; V1226-T1229 WeakPolarHBondContact CA-OG1 3.35Å; V1226-T1229 PolarHBondContact O-N 3.2Å; V1226-T1229 PolarHBondContact O-OG1 3.24Å; V1226-I1230 HydrophobicContact CG1-CD1 3.73Å; V1226-I1230 HydrophobicContact CG1-CG1 4.45Å; V1226-I1230 WeakPolarHBondContact O-CB 3.33Å; V1226-I1230 WeakPolarHBondContact O-CD1 3.48Å; V1226-I1230 WeakPolarHBondContact O-CG1 3.42Å; V1226-I1230 PolarHBondContact O-N 2.86Å
1227	V	90.5	Very high	83.5	Confident	80 Å²	80	86.2 Å²	86.2	49%	0.485	49%	0.485	S	S	.	.	H	α-helix	trans	-64.1	-44.6	176.9	170.7	0	0	0	0	110.2	T1223 T1229 I1230 I1231	T1223-V1227 WeakPolarHBondContact O-CB 3.37Å; T1223-V1227 VanDerWaalsContact O-CG2 3.23Å; T1223-V1227 WeakPolarHBondContact O-CG2 3.22Å; T1223-V1227 PolarHBondContact O-N 3.01Å; V1227-T1229 PolarHBondContact O-N 2.81Å; V1227-I1230 PolarHBondContact O-N 2.85Å; V1227-I1231 HydrophobicContact CG1-CD1 3.81Å; V1227-I1231 HydrophobicContact CG1-CG1 4.47Å; V1227-I1231 VanDerWaalsContact O-CG1 3.27Å; V1227-I1231 WeakPolarHBondContact O-CG1 3.4Å; V1227-I1231 PolarHBondContact O-N 3.13Å
1228	S	89.8	Confident	85	Confident	67 Å²	67	87.2 Å²	87.2	47%	0.469	49%	0.494	S	S	.	.	H	α-helix	trans	-63.1	-42.1	178.4	-60.2	0	0	0	0	112	G1224 I1225 I1231 V1232	G1224-S1228 WeakPolarHBondContact O-CB 3.38Å; G1224-S1228 PolarHBondContact O-N 3.08Å; G1224-S1228 PolarHBondContact O-OG 2.89Å; I1225-S1228 PolarHBondContact O-N 3.34Å; S1228-I1231 PolarHBondContact O-N 3.07Å; S1228-V1232 VanDerWaalsContact O-CG2 3.3Å; S1228-V1232 WeakPolarHBondContact O-CG2 3.34Å; S1228-V1232 PolarHBondContact O-N 2.9Å
1229	T	89.3	Confident	85.9	Confident	81 Å²	81	91.4 Å²	91.4	50%	0.497	50%	0.502	S	S	.	.	H	α-helix	trans	-68	-37.5	177.1	49.3	0	0	0	0	112.2	I1225 V1226 V1227 V1232 A1233	I1225-T1229 HydrophobicContact CG2-CG2 4.32Å; I1225-T1229 WeakPolarHBondContact O-CB 3.44Å; I1225-T1229 VanDerWaalsContact O-CG2 3.25Å; I1225-T1229 WeakPolarHBondContact O-CG2 3.3Å; I1225-T1229 PolarHBondContact O-N 2.93Å; I1225-T1229 PolarHBondContact O-OG1 2.94Å; V1226-T1229 VanDerWaalsContact CA-OG1 3.3Å; V1226-T1229 WeakPolarHBondContact CA-OG1 3.35Å; V1226-T1229 PolarHBondContact O-N 3.2Å; V1226-T1229 PolarHBondContact O-OG1 3.24Å; V1227-T1229 PolarHBondContact O-N 2.81Å; T1229-V1232 PolarHBondContact O-N 3.35Å; T1229-A1233 VanDerWaalsContact O-CB 3.29Å; T1229-A1233 WeakPolarHBondContact O-CB 3.26Å; T1229-A1233 PolarHBondContact O-N 2.76Å
1230	I	91.8	Very high	86.7	Confident	91 Å²	91	90.8 Å²	90.8	47%	0.467	50%	0.498	S	S	.	.	H	α-helix	trans	-63.9	-44	172.8	-70.6	167.2	0	0	0	111.1	V1226 V1227 A1233 L1234	V1226-I1230 HydrophobicContact CG1-CD1 3.73Å; V1226-I1230 HydrophobicContact CG1-CG1 4.45Å; V1226-I1230 WeakPolarHBondContact O-CB 3.33Å; V1226-I1230 WeakPolarHBondContact O-CD1 3.48Å; V1226-I1230 WeakPolarHBondContact O-CG1 3.42Å; V1226-I1230 PolarHBondContact O-N 2.86Å; V1227-I1230 PolarHBondContact O-N 2.85Å; I1230-A1233 PolarHBondContact O-N 2.87Å; I1230-L1234 HydrophobicContact CG2-CD1 4.05Å; I1230-L1234 WeakPolarHBondContact O-CB 3.26Å; I1230-L1234 PolarHBondContact O-N 3.32Å
1231	I	91.2	Very high	87.2	Confident	90 Å²	90	89.7 Å²	89.7	46%	0.462	50%	0.502	S	S	.	.	H	α-helix	trans	-61.4	-46.5	177	-69.8	167.4	0	0	0	110.3	V1227 S1228 A1233 L1234 I1235	V1227-I1231 HydrophobicContact CG1-CD1 3.81Å; V1227-I1231 HydrophobicContact CG1-CG1 4.47Å; V1227-I1231 VanDerWaalsContact O-CG1 3.27Å; V1227-I1231 WeakPolarHBondContact O-CG1 3.4Å; V1227-I1231 PolarHBondContact O-N 3.13Å; S1228-I1231 PolarHBondContact O-N 3.07Å; I1231-A1233 PolarHBondContact O-N 3Å; I1231-L1234 PolarHBondContact O-N 3.24Å; I1231-I1235 HydrophobicContact CG2-CD1 3.96Å; I1231-I1235 WeakPolarHBondContact O-CG1 3.34Å; I1231-I1235 PolarHBondContact O-N 3.29Å
1232	V	92.1	Very high	87.4	Confident	87 Å²	87	84.7 Å²	84.7	53%	0.527	50%	0.495	S	S	.	.	H	α-helix	trans	-62.2	-43.4	176.8	172.4	0	0	0	0	111	S1228 T1229 L1234 I1235 V1236	S1228-V1232 VanDerWaalsContact O-CG2 3.3Å; S1228-V1232 WeakPolarHBondContact O-CG2 3.34Å; S1228-V1232 PolarHBondContact O-N 2.9Å; T1229-V1232 PolarHBondContact O-N 3.35Å; V1232-L1234 PolarHBondContact O-N 3.11Å; V1232-I1235 PolarHBondContact O-N 2.95Å; V1232-V1236 HydrophobicContact CG1-CG2 4.35Å; V1232-V1236 WeakPolarHBondContact O-CG2 3.17Å; V1232-V1236 PolarHBondContact O-N 3.2Å
1233	A	90.1	Very high	87.3	Confident	53 Å²	53	83.1 Å²	83.1	44%	0.438	49%	0.487	S	S	.	.	H	α-helix	trans	-63.1	-39.2	177.3	0	0	0	0	0	112.6	T1229 I1230 I1231 V1236 T1237	T1229-A1233 VanDerWaalsContact O-CB 3.29Å; T1229-A1233 WeakPolarHBondContact O-CB 3.26Å; T1229-A1233 PolarHBondContact O-N 2.76Å; I1230-A1233 PolarHBondContact O-N 2.87Å; I1231-A1233 PolarHBondContact O-N 3Å; A1233-V1236 PolarHBondContact O-N 3.43Å; A1233-T1237 WeakPolarHBondContact O-CB 3.16Å; A1233-T1237 WeakPolarHBondContact O-CG2 3.48Å; A1233-T1237 PolarHBondContact O-N 2.98Å; A1233-T1237 PolarHBondContact O-OG1 2.87Å
1234	L	91.2	Very high	87.2	Confident	105 Å²	105	89 Å²	89	55%	0.55	50%	0.501	S	S	.	.	H	α-helix	trans	-63	-42.4	173.6	-86.9	165.3	0	0	0	111.9	I1230 I1231 V1232 T1237 T1238	I1230-L1234 HydrophobicContact CG2-CD1 4.05Å; I1230-L1234 WeakPolarHBondContact O-CB 3.26Å; I1230-L1234 PolarHBondContact O-N 3.32Å; I1231-L1234 PolarHBondContact O-N 3.24Å; V1232-L1234 PolarHBondContact O-N 3.11Å; L1234-T1237 WeakPolarHBondContact CA-OG1 3.06Å; L1234-T1237 PolarHBondContact O-OG1 3.17Å; L1234-T1237 VanDerWaalsContact O-OG1 3.06Å; L1234-T1238 WeakPolarHBondContact O-CB 3.44Å; L1234-T1238 PolarHBondContact O-N 2.86Å; L1234-T1238 PolarHBondContact O-OG1 3.01Å
1235	I	90.9	Very high	86.9	Confident	102 Å²	102	91.6 Å²	91.6	52%	0.523	51%	0.505	S	S	.	.	H	α-helix	trans	-65	-45.4	176.6	-67.3	166.7	0	0	0	110.6	I1231 V1232 T1238 F1239	I1231-I1235 HydrophobicContact CG2-CD1 3.96Å; I1231-I1235 WeakPolarHBondContact O-CG1 3.34Å; I1231-I1235 PolarHBondContact O-N 3.29Å; V1232-I1235 PolarHBondContact O-N 2.95Å; I1235-T1238 WeakPolarHBondContact CA-OG1 3.43Å; I1235-T1238 PolarHBondContact O-N 2.72Å; I1235-T1238 PolarHBondContact O-OG1 2.88Å; I1235-F1239 WeakPolarHBondContact O-CB 3.38Å; I1235-F1239 PolarHBondContact O-N 3.1Å
1236	V	91	Very high	86.4	Confident	75 Å²	75	93.2 Å²	93.2	46%	0.455	51%	0.509	S	S	.	.	H	α-helix	trans	-65.2	-43.8	179	171.7	0	0	0	0	111.1	V1232 A1233 F1239 L1240	V1232-V1236 HydrophobicContact CG1-CG2 4.35Å; V1232-V1236 WeakPolarHBondContact O-CG2 3.17Å; V1232-V1236 PolarHBondContact O-N 3.2Å; A1233-V1236 PolarHBondContact O-N 3.43Å; V1236-F1239 PolarHBondContact O-N 3.37Å; V1236-L1240 HydrophobicContact CG1-CD1 3.93Å; V1236-L1240 HydrophobicContact CG1-CG 4.38Å; V1236-L1240 WeakPolarHBondContact O-CB 3.26Å; V1236-L1240 WeakPolarHBondContact O-CG 3.48Å; V1236-L1240 PolarHBondContact O-N 3.31Å
1237	T	86.3	Confident	85.7	Confident	76 Å²	76	94.3 Å²	94.3	47%	0.466	51%	0.512	S	S	.	.	H	α-helix	trans	-66.9	-39.5	178.5	44.3	0	0	0	0	112.3	A1233 L1234 F1239 L1240 C1241	A1233-T1237 WeakPolarHBondContact O-CB 3.16Å; A1233-T1237 WeakPolarHBondContact O-CG2 3.48Å; A1233-T1237 PolarHBondContact O-N 2.98Å; A1233-T1237 PolarHBondContact O-OG1 2.87Å; L1234-T1237 WeakPolarHBondContact CA-OG1 3.06Å; L1234-T1237 PolarHBondContact O-OG1 3.17Å; L1234-T1237 VanDerWaalsContact O-OG1 3.06Å; T1237-F1239 VanDerWaalsContact C-N 3.34Å; T1237-L1240 PolarHBondContact O-N 3.19Å; T1237-C1241 WeakPolarHBondContact O-CB 3.17Å; T1237-C1241 PolarHBondContact O-N 2.72Å
1238	T	86.7	Confident	84.9	Confident	84 Å²	84	99 Å²	99	52%	0.515	52%	0.521	S	S	.	.	H	α-helix	trans	-62.5	-41.6	172	33.5	0	0	0	0	111.4	L1234 I1235 C1241 C1242	L1234-T1238 WeakPolarHBondContact O-CB 3.44Å; L1234-T1238 PolarHBondContact O-N 2.86Å; L1234-T1238 PolarHBondContact O-OG1 3.01Å; I1235-T1238 WeakPolarHBondContact CA-OG1 3.43Å; I1235-T1238 PolarHBondContact O-N 2.72Å; I1235-T1238 PolarHBondContact O-OG1 2.88Å; T1238-C1241 PolarHBondContact O-N 2.98Å; T1238-C1242 WeakPolarHBondContact O-CB 3.32Å; T1238-C1242 PolarHBondContact O-N 3.49Å; T1238-C1242 PolarHBondContact O-SG 2.82Å
1239	F	86.6	Confident	84	Confident	147 Å²	147	104 Å²	104	65%	0.645	53%	0.53	S	S	*	.	H	α-helix	trans	-62.9	-43.9	176.5	-150.4	-87.9	0	0	0	112.2	I1235 V1236 T1237 C1242 N1243	I1235-F1239 WeakPolarHBondContact O-CB 3.38Å; I1235-F1239 PolarHBondContact O-N 3.1Å; V1236-F1239 PolarHBondContact O-N 3.37Å; T1237-F1239 VanDerWaalsContact C-N 3.34Å; F1239-C1242 PolarHBondContact O-N 2.7Å; F1239-N1243 PolarHBondContact O-N 3.4Å
1240	L	84.4	Confident	83.1	Confident	102 Å²	102	104.8 Å²	104.8	53%	0.534	53%	0.53	S	S	.	.	H	α-helix	trans	-65.5	-40.3	176.4	-72.2	172.2	0	0	0	112.5	V1236 T1237 N1243 R1244	V1236-L1240 HydrophobicContact CG1-CD1 3.93Å; V1236-L1240 HydrophobicContact CG1-CG 4.38Å; V1236-L1240 WeakPolarHBondContact O-CB 3.26Å; V1236-L1240 WeakPolarHBondContact O-CG 3.48Å; V1236-L1240 PolarHBondContact O-N 3.31Å; T1237-L1240 PolarHBondContact O-N 3.19Å; L1240-N1243 PolarHBondContact O-N 2.92Å; L1240-R1244 PolarHBondContact O-N 3.02Å
1241	C	80.4	Confident	82	Confident	77 Å²	77	106 Å²	106	52%	0.52	54%	0.537	S	S	.	.	H	α-helix	trans	-63.2	-45.7	173.6	-95.5	0	0	0	0	111.4	T1237 T1238 N1243 R1244 I1245	T1237-C1241 WeakPolarHBondContact O-CB 3.17Å; T1237-C1241 PolarHBondContact O-N 2.72Å; T1238-C1241 PolarHBondContact O-N 2.98Å; C1241-N1243 VanDerWaalsContact C-N 3.31Å; C1241-N1243 PolarHBondContact O-N 2.88Å; C1241-R1244 PolarHBondContact O-N 3.39Å; C1241-I1245 WeakPolarHBondContact O-CB 3.49Å; C1241-I1245 VanDerWaalsContact O-CG1 3.26Å; C1241-I1245 WeakPolarHBondContact O-CG1 3.35Å; C1241-I1245 PolarHBondContact O-N 2.94Å
1242	C	80	Confident	80.9	Confident	84 Å²	84	106.9 Å²	106.9	57%	0.568	54%	0.539	S	S	*	.	H	α-helix	trans	-59.3	-41.7	174.9	-75	0	0	0	0	111.8	T1238 F1239 I1245 K1246	T1238-C1242 WeakPolarHBondContact O-CB 3.32Å; T1238-C1242 PolarHBondContact O-N 3.49Å; T1238-C1242 PolarHBondContact O-SG 2.82Å; F1239-C1242 PolarHBondContact O-N 2.7Å; C1242-I1245 PolarHBondContact O-N 3Å; C1242-K1246 WeakPolarHBondContact O-CB 3.15Å; C1242-K1246 PolarHBondContact O-N 3.03Å
1243	N	79.4	Confident	79.6	Confident	72 Å²	72	111.3 Å²	111.3	39%	0.385	55%	0.547	S	S	.	.	H	α-helix	trans	-67.1	-43.1	176.7	-118.8	3.8	0	0	0	112.2	F1239 L1240 C1241 I1245 K1246 D1247	F1239-N1243 PolarHBondContact O-N 3.4Å; L1240-N1243 PolarHBondContact O-N 2.92Å; C1241-N1243 VanDerWaalsContact C-N 3.31Å; C1241-N1243 PolarHBondContact O-N 2.88Å; N1243-I1245 VanDerWaalsContact C-N 3.34Å; N1243-I1245 PolarHBondContact O-N 2.83Å; N1243-K1246 WeakPolarHBondContact O-CB 3.08Å; N1243-K1246 PolarHBondContact O-N 3.41Å; N1243-K1246 VanDerWaalsContact O-N 3.16Å; N1243-D1247 PolarHBondContact O-N 3.29Å
1244	R	78.7	Confident	78.3	Confident	201 Å²	201	112.1 Å²	112.1	76%	0.758	55%	0.549	S	S	*	.	H	α-helix	trans	-62.3	-39.8	174.9	-81.8	-174.4	169.6	170.4	-1	112.7	L1240 C1241 K1246 D1247 R1248	L1240-R1244 PolarHBondContact O-N 3.02Å; C1241-R1244 PolarHBondContact O-N 3.39Å; R1244-K1246 VanDerWaalsContact C-N 3.32Å; R1244-D1247 PolarHBondContact O-N 3.36Å; R1244-R1248 VanDerWaalsContact O-CB 3.32Å; R1244-R1248 WeakPolarHBondContact O-CB 3.4Å; R1244-R1248 PolarHBondContact O-N 3.37Å
1245	I	76.9	Confident	76.9	Confident	92 Å²	92	117 Å²	117	47%	0.472	56%	0.56	S	S	.	*	H	α-helix	trans	-65.1	-39.8	175.2	-68.3	165.7	0	0	0	110.2	C1241 C1242 N1243 R1248 R1249	C1241-I1245 WeakPolarHBondContact O-CB 3.49Å; C1241-I1245 VanDerWaalsContact O-CG1 3.26Å; C1241-I1245 WeakPolarHBondContact O-CG1 3.35Å; C1241-I1245 PolarHBondContact O-N 2.94Å; C1242-I1245 PolarHBondContact O-N 3Å; N1243-I1245 VanDerWaalsContact C-N 3.34Å; N1243-I1245 PolarHBondContact O-N 2.83Å; I1245-R1248 PolarHBondContact O-N 2.6Å; I1245-R1249 WeakPolarHBondContact O-CB 2.94Å; I1245-R1249 WeakPolarHBondContact O-CG 3.31Å; I1245-R1249 PolarHBondContact O-N 3.48Å
1246	K	76.3	Confident	75.4	Confident	126 Å²	126	119 Å²	119	55%	0.548	57%	0.569	S	S	.	*	H	α-helix	trans	-62.4	-46.9	175.4	-173.3	-176.5	176.1	-174.5	0	111.7	C1242 N1243 R1244 R1248 R1249 L1250	C1242-K1246 WeakPolarHBondContact O-CB 3.15Å; C1242-K1246 PolarHBondContact O-N 3.03Å; N1243-K1246 WeakPolarHBondContact O-CB 3.08Å; N1243-K1246 PolarHBondContact O-N 3.41Å; N1243-K1246 VanDerWaalsContact O-N 3.16Å; R1244-K1246 VanDerWaalsContact C-N 3.32Å; K1246-R1248 PolarHBondContact O-N 3.42Å; K1246-R1249 PolarHBondContact O-N 3.22Å; K1246-L1250 HydrophobicContact CG-CD1 4.28Å; K1246-L1250 WeakPolarHBondContact O-CG 3.45Å; K1246-L1250 PolarHBondContact O-N 3.47Å
1247	D	76.8	Confident	73.8	Confident	89 Å²	89	123 Å²	123	48%	0.476	58%	0.58	S	S	.	*	H	α-helix	trans	-63.4	-41.5	177.2	-73.6	-18.2	0	0	0	111.7	N1243 R1244 R1249 L1250 L1251	N1243-D1247 PolarHBondContact O-N 3.29Å; R1244-D1247 PolarHBondContact O-N 3.36Å; D1247-R1249 PolarHBondContact O-N 3.16Å; D1247-L1250 PolarHBondContact O-N 2.82Å; D1247-L1251 PolarHBondContact O-N 3.18Å
1248	R	73	Confident	72.5	Confident	179 Å²	179	121.4 Å²	121.4	68%	0.675	58%	0.579	S	S	*	*	H	α-helix	trans	-64.2	-41.7	177.2	-159.3	174.7	177.3	178.8	0.3	111.6	R1244 I1245 K1246 L1250 L1251 E1252	R1244-R1248 VanDerWaalsContact O-CB 3.32Å; R1244-R1248 WeakPolarHBondContact O-CB 3.4Å; R1244-R1248 PolarHBondContact O-N 3.37Å; I1245-R1248 PolarHBondContact O-N 2.6Å; K1246-R1248 PolarHBondContact O-N 3.42Å; R1248-L1250 VanDerWaalsContact C-N 3.34Å; R1248-L1250 PolarHBondContact O-N 2.98Å; R1248-L1251 PolarHBondContact O-N 3.02Å; R1248-E1252 WeakPolarHBondContact O-CG 3.49Å; R1248-E1252 PolarHBondContact O-N 2.83Å
1249	R	70.1	Confident	71	Confident	172 Å²	172	120.4 Å²	120.4	65%	0.649	58%	0.579	S	S	*	*	H	α-helix	trans	-66	-33.6	173.4	-76.6	-178.3	176.9	-178.2	0.6	112.7	I1245 K1246 D1247 R1253	I1245-R1249 WeakPolarHBondContact O-CB 2.94Å; I1245-R1249 WeakPolarHBondContact O-CG 3.31Å; I1245-R1249 PolarHBondContact O-N 3.48Å; K1246-R1249 PolarHBondContact O-N 3.22Å; D1247-R1249 PolarHBondContact O-N 3.16Å; R1249-R1253 WeakPolarHBondContact O-CB 3.47Å; R1249-R1253 WeakPolarHBondContact O-CG 3.25Å; R1249-R1253 PolarHBondContact O-N 3.2Å
1250	L	70.4	Confident	69.4	Low	96 Å²	96	116.3 Å²	116.3	50%	0.503	57%	0.572	S	S	.	*	H	α-helix	trans	-68.9	-41.3	174.7	-79.6	165.7	0	0	0	111.7	K1246 D1247 R1248 R1253 S1254	K1246-L1250 HydrophobicContact CG-CD1 4.28Å; K1246-L1250 WeakPolarHBondContact O-CG 3.45Å; K1246-L1250 PolarHBondContact O-N 3.47Å; D1247-L1250 PolarHBondContact O-N 2.82Å; R1248-L1250 VanDerWaalsContact C-N 3.34Å; R1248-L1250 PolarHBondContact O-N 2.98Å; L1250-R1253 PolarHBondContact O-N 3.38Å; L1250-S1254 PolarHBondContact O-N 2.88Å
1251	L	70.3	Confident	67.9	Low	116 Å²	116	118.7 Å²	118.7	61%	0.607	58%	0.581	S	S	*	*	H	α-helix	trans	-64.6	-40.6	173.5	-91.6	154.6	0	0	0	112.5	D1247 R1248 S1254 R1255	D1247-L1251 PolarHBondContact O-N 3.18Å; R1248-L1251 PolarHBondContact O-N 3.02Å; L1251-S1254 PolarHBondContact O-N 3.09Å; L1251-S1254 PolarHBondContact O-OG 2.92Å; L1251-R1255 WeakPolarHBondContact O-CB 3.35Å; L1251-R1255 PolarHBondContact O-N 3.35Å
1252	E	68.2	Low	66.7	Low	109 Å²	109	116.9 Å²	116.9	51%	0.509	58%	0.575	S	S	.	*	H	α-helix	trans	-66.1	-39.3	174.4	-77.3	174	179.7	0	0	111.7	R1248 R1255 M1256	R1248-E1252 WeakPolarHBondContact O-CG 3.49Å; R1248-E1252 PolarHBondContact O-N 2.83Å; E1252-R1255 PolarHBondContact O-N 2.77Å; E1252-M1256 WeakPolarHBondContact O-CG 3.37Å; E1252-M1256 PolarHBondContact O-N 3.04Å
1253	R	64.4	Low	65.3	Low	181 Å²	181	117.9 Å²	117.9	68%	0.683	58%	0.579	S	S	*	*	H	α-helix	trans	-65.5	-37.9	173.8	-81.7	-180	172.7	-177.8	-1.9	112.8	R1249 L1250 M1256 K1257	R1249-R1253 WeakPolarHBondContact O-CB 3.47Å; R1249-R1253 WeakPolarHBondContact O-CG 3.25Å; R1249-R1253 PolarHBondContact O-N 3.2Å; L1250-R1253 PolarHBondContact O-N 3.38Å; R1253-M1256 PolarHBondContact O-N 3.07Å; R1253-K1257 PolarHBondContact O-N 3.45Å
1254	S	62.9	Low	63.8	Low	70 Å²	70	120.2 Å²	120.2	49%	0.49	59%	0.59	S	S	.	*	H	α-helix	trans	-69.7	-38.4	176	69.2	0	0	0	0	111.5	L1250 L1251 K1257 G1258	L1250-S1254 PolarHBondContact O-N 2.88Å; L1251-S1254 PolarHBondContact O-N 3.09Å; L1251-S1254 PolarHBondContact O-OG 2.92Å; S1254-K1257 PolarHBondContact O-N 3.49Å; S1254-G1258 PolarHBondContact O-N 3.32Å
1255	R	61.7	Low	62.3	Low	208 Å²	208	120.6 Å²	120.6	79%	0.785	59%	0.592	S	S	*	*	H	α-helix	trans	-62.1	-43.3	171.7	-111.4	177.9	131.7	171.8	-3	112.5	L1251 E1252 G1258 A1259	L1251-R1255 WeakPolarHBondContact O-CB 3.35Å; L1251-R1255 PolarHBondContact O-N 3.35Å; E1252-R1255 PolarHBondContact O-N 2.77Å; R1255-G1258 PolarHBondContact O-N 3.03Å; R1255-A1259 WeakPolarHBondContact O-CB 3.45Å; R1255-A1259 PolarHBondContact O-N 2.76Å
1256	M	59.5	Low	61.1	Low	142 Å²	142	122 Å²	122	70%	0.7	60%	0.6	S	S	*	*	H	α-helix	trans	-66.5	-37.9	176.6	-74.5	-136.6	-92.4	0	0	112.3	E1252 R1253 A1259 A1260	E1252-M1256 WeakPolarHBondContact O-CG 3.37Å; E1252-M1256 PolarHBondContact O-N 3.04Å; R1253-M1256 PolarHBondContact O-N 3.07Å; M1256-A1259 PolarHBondContact O-N 3.08Å; M1256-A1260 WeakPolarHBondContact O-CB 2.94Å; M1256-A1260 PolarHBondContact O-N 2.77Å
1257	K	57.5	Low	59.8	Low	160 Å²	160	119.2 Å²	119.2	70%	0.696	60%	0.597	S	S	*	*	H	α-helix	trans	-64.9	-40.5	172.5	-80.7	-173.4	174.7	-174.3	0	112.4	R1253 S1254 A1260 Q1261	R1253-K1257 PolarHBondContact O-N 3.45Å; S1254-K1257 PolarHBondContact O-N 3.49Å; K1257-A1260 PolarHBondContact O-N 3.07Å; K1257-Q1261 PolarHBondContact O-N 3.11Å; K1257-Q1261 VanDerWaalsContact O-N 3.16Å
1258	G	57.4	Low	58.4	Low	43 Å²	43	122.9 Å²	122.9	44%	0.443	61%	0.609	S	S	.	*	H	α-helix	trans	-65.4	-40.9	175.3	0	0	0	0	0	112.8	S1254 R1255 Q1261 G1262	S1254-G1258 PolarHBondContact O-N 3.32Å; R1255-G1258 PolarHBondContact O-N 3.03Å; G1258-Q1261 PolarHBondContact O-N 3.14Å; G1258-G1262 PolarHBondContact O-N 3.22Å
1259	A	55.9	Low	57.1	Low	63 Å²	63	123.3 Å²	123.3	52%	0.521	62%	0.616	S	S	.	*	H	α-helix	trans	-66.1	-41.7	176.6	0	0	0	0	0	111.9	R1255 M1256 Q1261 G1262 T1263	R1255-A1259 WeakPolarHBondContact O-CB 3.45Å; R1255-A1259 PolarHBondContact O-N 2.76Å; M1256-A1259 PolarHBondContact O-N 3.08Å; A1259-Q1261 VanDerWaalsContact C-N 3.32Å; A1259-Q1261 PolarHBondContact O-N 3.18Å; A1259-G1262 PolarHBondContact O-N 2.98Å; A1259-G1262 VanDerWaalsContact O-N 3.15Å; A1259-T1263 PolarHBondContact O-N 3.09Å; A1259-T1263 PolarHBondContact O-OG1 3.37Å
1260	A	53.2	Low	55.8	Low	60 Å²	60	123.2 Å²	123.2	50%	0.496	63%	0.627	S	S	.	*	H	α-helix	trans	-65.2	-33	177.4	0	0	0	0	0	113.2	M1256 K1257	M1256-A1260 WeakPolarHBondContact O-CB 2.94Å; M1256-A1260 PolarHBondContact O-N 2.77Å; K1257-A1260 PolarHBondContact O-N 3.07Å
1261	Q	53	Low	54.2	Low	153 Å²	153	125 Å²	125	72%	0.715	66%	0.656	S	S	*	*	H	α-helix	trans	-76.9	-27.7	172.9	-76.8	-177.1	-24.6	0	0	112.9	K1257 G1258 A1259	K1257-Q1261 PolarHBondContact O-N 3.11Å; K1257-Q1261 VanDerWaalsContact O-N 3.16Å; G1258-Q1261 PolarHBondContact O-N 3.14Å; A1259-Q1261 VanDerWaalsContact C-N 3.32Å; A1259-Q1261 PolarHBondContact O-N 3.18Å
1262	G	54.7	Low	53.4	Low	39 Å²	39	125.5 Å²	125.5	40%	0.402	66%	0.658	S	S	.	*	H	α-helix	trans	-67.5	-39.4	175.8	0	0	0	0	0	113.4	G1258 A1259 L1264 R1265	G1258-G1262 PolarHBondContact O-N 3.22Å; A1259-G1262 PolarHBondContact O-N 2.98Å; A1259-G1262 VanDerWaalsContact O-N 3.15Å; G1262-L1264 VanDerWaalsContact C-N 3.35Å; G1262-L1264 PolarHBondContact O-N 3.22Å; G1262-R1265 PolarHBondContact O-N 3.39Å
1263	T	51	Low	52.6	Low	104 Å²	104	126.3 Å²	126.3	64%	0.638	67%	0.666	S	S	*	*	H	α-helix	trans	-72.3	-27.2	-179.6	1.5	0	0	0	0	113.4	A1259 R1265 S1267	A1259-T1263 PolarHBondContact O-N 3.09Å; A1259-T1263 PolarHBondContact O-OG1 3.37Å; T1263-R1265 VanDerWaalsContact C-N 3.34Å; T1263-S1267 PolarHBondContact O-OG 3.22Å
1264	L	47.2	Very low	52	Low	121 Å²	121	123.3 Å²	123.3	63%	0.634	67%	0.665	S	S	*	*	H	α-helix	trans	-75.5	-21	176.3	-107.2	142.5	0	0	0	113.5	G1262 S1267	G1262-L1264 VanDerWaalsContact C-N 3.35Å; G1262-L1264 PolarHBondContact O-N 3.22Å; L1264-S1267 PolarHBondContact O-OG 2.85Å
1265	R	48.3	Very low	51.3	Low	209 Å²	209	126.4 Å²	126.4	79%	0.789	68%	0.675	S	S	*	*	H	α-helix	trans	-87.4	-20	179.9	-144	176.2	-172.2	-170.8	2	113.7	G1262 T1263	G1262-R1265 PolarHBondContact O-N 3.39Å; T1263-R1265 VanDerWaalsContact C-N 3.34Å
1266	N	50.8	Low	50.7	Low	122 Å²	122	121.3 Å²	121.3	65%	0.652	67%	0.669	S	S	*	*	H	α-helix	trans	-90.4	-19	177.5	-79.4	-8	0	0	0	113.8	F1268	N1266-F1268 VanDerWaalsContact C-N 3.33Å
1267	S	48.6	Very low	50.1	Low	68 Å²	68	119.9 Å²	119.9	48%	0.476	67%	0.667	S	S	.	*	G	3₁₀ helix	trans	-75.2	-20.2	172.5	47.4	0	0	0	0	113.5	T1263 L1264	T1263-S1267 PolarHBondContact O-OG 3.22Å; L1264-S1267 PolarHBondContact O-OG 2.85Å
1268	F	47.3	Very low	49.6	Very low	165 Å²	165	117.1 Å²	117.1	72%	0.724	66%	0.664	S	S	*	*	G	3₁₀ helix	trans	-88.5	1.6	177.6	-99.1	-80.1	0	0	0	115.3	N1266	N1266-F1268 VanDerWaalsContact C-N 3.33Å
1269	K	46.9	Very low	49	Very low	189 Å²	189	122.8 Å²	122.8	82%	0.822	68%	0.681	S	S	*	*	G	3₁₀ helix	trans	-108	-4.7	171.9	-93.9	-171.8	174.6	-174.4	0	113.9
1270	L	42	Very low	48.4	Very low	169 Å²	169	127.8 Å²	127.8	89%	0.885	70%	0.695	S	S	*	*			trans	-109.8	-1.9	176.9	-109.6	127.4	0	0	0	113.2
1271	A	37.5	Very low	47.9	Very low	134 Å²	134	133.9 Å²	133.9	100%	1.107	71%	0.713	S	S	*	*			trans	-105.6	0	159.4	0	0	0	0	0	107.7

Retrieved 1,271 of 1,271 residues in 4787.2 ms (Link to these results)

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