A0A087YNA4_POEFO Loading...

Discs large MAGUK scaffold protein 4

AlphaFold DB , UniProt , Accession A0A087YNA4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 799 aa.

						>A0A087YNA4_POEFO|A0A087YNA4
MSLPVRNLKCLSPVMCQCKVICSNRTLSLMFGCKKYRYQDEETPPLEHSPAHLAPGKSAEMLHMSDKNLAAMEAIHGYTPHTHISPVKPVLMSTGHTPMYTSAVSTLGNTPPVVVNTDTLDGSPYVNGTEGEIEYEEITLERGNSGLGFSIAGGTDNPHVGDDPSIFITKIIPGGAAAQDGRLSVNDCILFVNDVDVREVTHSQAVEALKEAGAIVRLYVLRRKPAAEKVTEIKLIKGPKGLGFSIAGGVGNQHIPGDNSIYVTKIIEGGAAHKDGRLQIGDKILAVNNVCLEDVMHEDAVGALKNTAEVVYLRVAKPNNLFLTNSYNPPDLTSTYSHMDTELSHPNYLGSDYPQALTPTSPSRFSPVLHGLMGDDDIPREPRRVLIHRGSTGLGFNIVGGEDGEGIFISFILAGGPADLSGELHKGDQILSVNGVDLRMATHEQAAAALKNAGQTVTIIAQYRPEEYSRFEAKIHDLREQLMNSSMGSGTTTLRSNPKRGFYIRALFDYDKTADCGFLSQALGFKFGDVLHVLDCGDEEWWQARKVSPQNEAEEVGFIPSKHRVERKEWSRVNTKERDHGRDSVGTQGRDKTPHSYETVTQVEVHYARPIIILGPVKDRINDDLLSEFPDKFGSCVPHTTRPKRDYEVDGRDYHFVSSREQMEKDIQSHRFIEAGQYNSHLYGTSVQSVREVAEQQGKHCILDVSANAVRRLQAAQLHPIAIFVRPKSLENVLEINTRLTEEQARKAMDRALKLEQDFIECFSAVVEGESFEEVYHKVKTVIEEQSGPYIWIPTRERL
					

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Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.8	Very low	33.7	Very low	245 Å²	245	157.5 Å²	157.5	100%	1.207	83%	0.832	S	S	*	*				0	115.6	0	-76.9	174.5	179.6	0	0	107.9
2	S	33.3	Very low	33.2	Very low	116 Å²	116	152.7 Å²	152.7	81%	0.811	82%	0.82	S	S	*	*			trans	-33.1	126.3	178.7	38.5	0	0	0	0	118.9
3	L	34.6	Very low	33.9	Very low	156 Å²	156	149.3 Å²	149.3	82%	0.817	81%	0.811	S	S	*	*				-85.4	159.5	129.2	-82.3	156.6	0	0	0	108.5
4	P	51.1	Low	33.4	Very low	125 Å²	125	149.1 Å²	149.1	81%	0.812	82%	0.817	S	S	*	*				-150.1	172.9	103.4	36.8	-17.8	0	0	0	116.8
5	V	34.6	Very low	32.8	Very low	112 Å²	112	150.1 Å²	150.1	68%	0.679	82%	0.817	S	S	*	*			trans	-118.5	145.9	-175.9	163.7	0	0	0	0	109.2
6	R	36.1	Very low	32.3	Very low	218 Å²	218	149.2 Å²	149.2	82%	0.823	82%	0.823	S	S	*	*			trans	77.2	124.9	152.5	-81.6	169.3	-171.5	-172.3	1.2	124.2
7	N	31.6	Very low	31.8	Very low	134 Å²	134	149.9 Å²	149.9	72%	0.717	82%	0.818	S	S	*	*				76.1	123.9	126.3	-73.5	-22.8	0	0	0	123.2
8	L	28.1	Very low	31.4	Very low	160 Å²	160	149.3 Å²	149.3	84%	0.838	83%	0.825	S	S	*	*				177	108.7	113.8	-92.7	140.5	0	0	0	108.6
9	K	30	Very low	31	Very low	188 Å²	188	151.3 Å²	151.3	82%	0.817	82%	0.824	S	S	*	*				47.8	122.2	100.5	-74.8	-173	179.7	-177.3	0	113.1
10	C	26	Very low	30.7	Very low	111 Å²	111	150.4 Å²	150.4	75%	0.75	82%	0.824	S	S	*	*				-179.3	161.6	61.7	-109.2	0	0	0	0	112.4
11	L	26.9	Very low	30.4	Very low	168 Å²	168	150.7 Å²	150.7	88%	0.88	82%	0.823	S	S	*	*			trans	89.2	94.9	152.6	-68.7	145.8	0	0	0	120.5
12	S	26.9	Very low	29.7	Very low	99 Å²	99	144.7 Å²	144.7	69%	0.692	80%	0.804	S	S	*	*			trans	-79.6	-169.6	131.7	70.2	0	0	0	0	109.3
13	P	42.3	Very low	29.4	Very low	109 Å²	109	144.9 Å²	144.9	71%	0.708	81%	0.805	S	S	*	*			cis	-132.7	157.9	-24.1	34.1	-17.8	0	0	0	112
14	V	26.9	Very low	29.1	Very low	147 Å²	147	145.1 Å²	145.1	89%	0.891	81%	0.807	S	S	*	*			trans	-143.6	116.8	154.4	-176.7	0	0	0	0	111.1
15	M	25.1	Very low	27.9	Very low	164 Å²	164	150.3 Å²	150.3	81%	0.808	81%	0.811	S	S	*	*			trans	-51	146.4	162.2	-71.3	175.8	-92.5	0	0	112.1
16	C	24.4	Very low	27.4	Very low	135 Å²	135	151 Å²	151	91%	0.912	82%	0.815	S	S	*	*			trans	-137	113.2	145	-129.5	0	0	0	0	110.7
17	Q	24.7	Very low	26.8	Very low	161 Å²	161	148.8 Å²	148.8	75%	0.752	82%	0.819	S	S	*	*			trans	-57.6	149.4	161.6	-63.7	174	-14.9	0	0	109.5
18	C	24.4	Very low	26.4	Very low	139 Å²	139	146.6 Å²	146.6	94%	0.939	81%	0.814	S	S	*	*			trans	-146.5	119.2	140.9	-114.9	0	0	0	0	112.1
19	K	24.1	Very low	26.2	Very low	187 Å²	187	147 Å²	147	81%	0.813	82%	0.816	S	S	*	*			trans	-63.6	146.8	175	-101.7	164.4	165.1	169.6	0	112.2
20	V	24.5	Very low	25.8	Very low	134 Å²	134	145.3 Å²	145.3	81%	0.812	81%	0.813	S	S	*	*			trans	-56.9	127.4	154.3	174.3	0	0	0	0	110.6
21	I	23.6	Very low	25.7	Very low	156 Å²	156	150 Å²	150	80%	0.8	82%	0.821	S	S	*	*			trans	-146.3	127.2	149	-63.2	-172.5	0	0	0	109
22	C	25.1	Very low	25.6	Very low	119 Å²	119	145.8 Å²	145.8	80%	0.804	82%	0.818	S	S	*	*			trans	-66.7	144.1	170.2	-75.4	0	0	0	0	113
23	S	26.5	Very low	25.3	Very low	121 Å²	121	147 Å²	147	85%	0.846	83%	0.825	S	S	*	*			trans	-157.1	129.6	147	57.2	0	0	0	0	112.7
24	N	27.5	Very low	24.4	Very low	161 Å²	161	151.6 Å²	151.6	86%	0.861	83%	0.834	S	S	*	*			trans	-54.1	137.7	171.2	-83.7	-40.7	0	0	0	114.4
25	R	25.8	Very low	24.3	Very low	233 Å²	233	153.7 Å²	153.7	88%	0.879	83%	0.831	S	S	*	*				157.5	120.4	116.6	-88.8	-172.4	177	-166.2	-0.4	112.7
26	T	24.7	Very low	24.2	Very low	127 Å²	127	157 Å²	157	78%	0.779	84%	0.837	S	S	*	*			trans	34.8	120.2	134	-32.6	0	0	0	0	120.5
27	L	24.1	Very low	24.1	Very low	172 Å²	172	160.5 Å²	160.5	90%	0.901	83%	0.831	S	S	*	*			trans	-156.2	125.8	130.1	-110.9	148.9	0	0	0	111.4
28	S	22.5	Very low	24	Very low	88 Å²	88	163.7 Å²	163.7	62%	0.615	84%	0.837	S	S	*	*			trans	-88	151.5	178.5	172.4	0	0	0	0	110.2
29	L	23.5	Very low	24	Very low	168 Å²	168	163.5 Å²	163.5	88%	0.88	82%	0.822	S	S	*	*			trans	-162	132.6	141.6	-102.1	152.8	0	0	0	111.4
30	M	22.1	Very low	24.1	Very low	153 Å²	153	161.2 Å²	161.2	75%	0.754	82%	0.819	S	S	*	*			trans	-84.3	165.8	-170.5	-59.8	-155.8	-72.6	0	0	114.4
31	F	24.3	Very low	24.2	Very low	209 Å²	209	163 Å²	163	92%	0.917	82%	0.819	S	S	*	*				172.7	137.2	128.9	-80.1	-65.2	0	0	0	106.7
32	G	23.6	Very low	24.2	Very low	80 Å²	80	164.4 Å²	164.4	83%	0.825	82%	0.822	S	S	*	*			cis	178.9	127.8	-2.2	0	0	0	0	0	106.8
33	C	21.9	Very low	24.4	Very low	124 Å²	124	164.9 Å²	164.9	84%	0.838	82%	0.821	S	S	*	*			trans	-105.4	134.7	-178.8	-171.5	0	0	0	0	109.4
34	K	23.9	Very low	25.6	Very low	205 Å²	205	164.2 Å²	164.2	89%	0.891	81%	0.814	S	S	*	*			trans	-111.3	113.4	169.8	-81.7	-173.2	177.5	179.5	0	109.9
35	K	23.9	Very low	26	Very low	191 Å²	191	162.6 Å²	162.6	83%	0.83	81%	0.813	S	S	*	*			trans	-84.3	147.7	163.4	-81.3	177.6	172	175.1	0	109.8
36	Y	22.8	Very low	26.1	Very low	235 Å²	235	159.1 Å²	159.1	92%	0.922	81%	0.81	S	S	*	*			trans	-122.6	138.6	147.4	-99.3	-87.8	0	0	0	109
37	R	21.8	Very low	26.1	Very low	208 Å²	208	160 Å²	160	79%	0.785	81%	0.806	S	S	*	*			trans	-126.9	142.9	178.7	178.2	-176.8	-172	159.6	3.5	106.6
38	Y	23	Very low	26.2	Very low	227 Å²	227	159.8 Å²	159.8	89%	0.89	80%	0.8	S	S	*	*			trans	-148.2	154.1	149.9	-124	-87.4	0	0	0	111.2
39	Q	24.1	Very low	26.5	Very low	135 Å²	135	161 Å²	161	63%	0.631	81%	0.808	S	S	*	*			trans	-95.7	154.4	-160.9	-82.9	171.5	-69.7	0	0	115.9
40	D	26.5	Very low	27.3	Very low	140 Å²	140	159 Å²	159	75%	0.749	81%	0.805	S	S	*	*			trans	42.2	139.1	133.1	-64.1	-28	0	0	0	126
41	E	26.4	Very low	27.6	Very low	171 Å²	171	155.3 Å²	155.3	80%	0.799	80%	0.799	S	S	*	*			trans	73.3	117.4	141.2	-72.7	-90	128.2	0	0	122
42	E	24.5	Very low	27.7	Very low	186 Å²	186	153.3 Å²	153.3	87%	0.869	79%	0.792	S	S	*	*				177.6	144.9	116.4	-101.3	-172.2	148.5	0	0	112.5
43	T	28.1	Very low	27.7	Very low	128 Å²	128	156.7 Å²	156.7	79%	0.785	79%	0.791	S	S	*	*			trans	-134.2	174.1	172.6	-19.5	0	0	0	0	108
44	P	53	Low	27.7	Very low	107 Å²	107	155 Å²	155	70%	0.695	79%	0.786	S	S	*	*				-111.3	-159.1	-64.3	27.1	-4.6	0	0	0	112
45	P	35.4	Very low	28.3	Very low	128 Å²	128	151.5 Å²	151.5	83%	0.831	78%	0.784	S	S	*	*				-147.2	-175.7	105.6	37.6	-18.8	0	0	0	117.3
46	L	27.7	Very low	28.3	Very low	159 Å²	159	145.9 Å²	145.9	83%	0.832	78%	0.78	S	S	*	*			trans	-91.3	172.5	-155.2	-79.8	141.8	0	0	0	118.5
47	E	25.9	Very low	28.5	Very low	147 Å²	147	144.7 Å²	144.7	69%	0.687	78%	0.779	S	S	*	*			trans	92.6	112.1	147.4	-59.9	-139.3	151.3	0	0	120.8
48	H	25.7	Very low	28.6	Very low	166 Å²	166	139.7 Å²	139.7	77%	0.769	78%	0.776	S	S	*	*				179.9	129.9	94.3	-96.2	-71.8	0	0	0	112
49	S	29.1	Very low	28.5	Very low	113 Å²	113	133.3 Å²	133.3	79%	0.79	77%	0.77	S	S	*	*			trans	-121	154.4	152.7	-74.3	0	0	0	0	107
50	P	39.3	Very low	28.5	Very low	127 Å²	127	136.4 Å²	136.4	83%	0.825	79%	0.785	S	S	*	*				-153.1	173.6	99.2	28.9	-5.5	0	0	0	112.6
51	A	28.1	Very low	28.4	Very low	75 Å²	75	138 Å²	138	62%	0.62	79%	0.79	S	S	*	*			cis	-173.6	172.7	-0.7	0	0	0	0	0	110.5
52	H	26.6	Very low	28.2	Very low	168 Å²	168	138.3 Å²	138.3	78%	0.778	80%	0.796	S	S	*	*			trans	115.9	81.1	146.6	-68.8	-70.6	0	0	0	120.5
53	L	24.3	Very low	28.4	Very low	151 Å²	151	137.3 Å²	137.3	79%	0.791	79%	0.791	S	S	*	*				50.5	103.6	111.2	-68.5	164.5	0	0	0	122
54	A	21.5	Very low	28.2	Very low	89 Å²	89	140 Å²	140	74%	0.736	80%	0.797	S	S	*	*				45.4	174.3	109.9	0	0	0	0	0	122.1
55	P	36.9	Very low	27	Very low	131 Å²	131	139.5 Å²	139.5	85%	0.851	80%	0.796	S	S	*	*			cis	-139.6	175.6	-11.9	30.9	-8.5	0	0	0	115.9
56	G	24	Very low	26.9	Very low	72 Å²	72	141 Å²	141	74%	0.742	80%	0.797	S	S	*	*			trans	176.4	71.3	159.7	0	0	0	0	0	119.7
57	K	25.7	Very low	27.2	Very low	210 Å²	210	142.3 Å²	142.3	91%	0.913	80%	0.796	S	S	*	*			trans	45.3	141.5	141.4	-59.9	-179.7	178.2	-179.6	0	120.5
58	S	24.3	Very low	27.3	Very low	103 Å²	103	143.1 Å²	143.1	72%	0.72	81%	0.805	S	S	*	*			cis	-175.7	126.1	-5.1	41.3	0	0	0	0	105.6
59	A	22.2	Very low	27.5	Very low	93 Å²	93	143.9 Å²	143.9	77%	0.769	81%	0.814	S	S	*	*				40.7	119.2	114.5	0	0	0	0	0	117
60	E	23.4	Very low	27.6	Very low	200 Å²	200	143.4 Å²	143.4	94%	0.935	82%	0.817	S	S	*	*				-167.1	139.4	89.4	-101.2	180	174.7	0	0	112.9
61	M	24.6	Very low	27.1	Very low	173 Å²	173	142 Å²	142	85%	0.852	82%	0.816	S	S	*	*			trans	-79.8	151.3	171.4	-63.9	171.4	-66.7	0	0	110.4
62	L	22.6	Very low	27.3	Very low	179 Å²	179	145.8 Å²	145.8	94%	0.937	82%	0.823	S	S	*	*			trans	-133	117.6	142.4	-90.5	172.6	0	0	0	110.5
63	H	28.3	Very low	27.3	Very low	165 Å²	165	147.6 Å²	147.6	76%	0.764	83%	0.831	S	S	*	*			trans	-59.5	138.2	167.4	-110.8	-39.1	0	0	0	111.5
64	M	23.2	Very low	27.6	Very low	185 Å²	185	144.2 Å²	144.2	91%	0.911	83%	0.825	S	S	*	*			trans	-139.5	103.7	140.4	-81.4	-159.2	173.7	0	0	110.9
65	S	28.2	Very low	28.1	Very low	96 Å²	96	147.7 Å²	147.7	67%	0.671	83%	0.83	S	S	*	*			trans	47.5	103.7	139.9	57.3	0	0	0	0	120.6	K67	S65-K67 PolarHBondContact O-N 2.66Å
66	D	34.4	Very low	28	Very low	158 Å²	158	148.6 Å²	148.6	85%	0.845	82%	0.822	S	S	*	*			trans	-53.3	107.1	143	-68.1	-55.3	0	0	0	110.5
67	K	33.8	Very low	28.2	Very low	187 Å²	187	149.1 Å²	149.1	81%	0.813	83%	0.828	S	S	*	*			trans	-177.5	84.4	157.6	-103.3	163.6	-173.9	-176.2	0	109.1	S65	S65-K67 PolarHBondContact O-N 2.66Å
68	N	27.9	Very low	28.2	Very low	164 Å²	164	149.6 Å²	149.6	88%	0.877	83%	0.826	S	S	*	*			trans	175.1	52.6	142.5	-88.2	-9.7	0	0	0	111.1
69	L	30	Very low	28.4	Very low	183 Å²	183	150.2 Å²	150.2	96%	0.958	83%	0.825	S	S	*	*			trans	-113.9	33.7	170.9	-135.7	82.7	0	0	0	111.8
70	A	29.4	Very low	28.6	Very low	103 Å²	103	151.1 Å²	151.1	85%	0.851	82%	0.823	S	S	*	*	S	Bend	trans	-138.3	60	-179.8	0	0	0	0	0	110.7
71	A	30.7	Very low	28.9	Very low	97 Å²	97	150.2 Å²	150.2	80%	0.802	82%	0.819	S	S	*	*	S	Bend	trans	-157.9	28.4	167.1	0	0	0	0	0	113
72	M	30.5	Very low	28.9	Very low	154 Å²	154	147 Å²	147	76%	0.759	81%	0.809	S	S	*	*			trans	-136.8	35.9	-179.9	-68.9	-165	74.9	0	0	113.4
73	E	27.1	Very low	29.1	Very low	206 Å²	206	146.8 Å²	146.8	96%	0.963	80%	0.803	S	S	*	*			trans	-103.6	12.2	175.3	-77.6	-168.2	149.3	0	0	114.4
74	A	31	Very low	29.2	Very low	80 Å²	80	143.3 Å²	143.3	66%	0.661	79%	0.789	S	S	*	*	S	Bend	trans	-123	125.3	167.1	0	0	0	0	0	108.6
75	I	32.9	Very low	29.4	Very low	163 Å²	163	137.9 Å²	137.9	84%	0.836	77%	0.769	S	S	*	*	S	Bend	trans	109.1	-7.5	170.1	-52.4	160.2	0	0	0	116.8
76	H	33.2	Very low	29.4	Very low	149 Å²	149	138 Å²	138	69%	0.69	77%	0.767	S	S	*	*			trans	-112.6	101.7	168.7	-69.8	103	0	0	0	111.9	Y78	H76-Y78 PolarHBondContact O-N 3.27Å
77	G	29.7	Very low	29.2	Very low	84 Å²	84	137.6 Å²	137.6	87%	0.866	77%	0.771	S	S	*	*			trans	-70.2	92.9	175.6	0	0	0	0	0	111.6
78	Y	24.8	Very low	28.9	Very low	220 Å²	220	137.1 Å²	137.1	86%	0.863	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-71.5	118.1	158	-107.7	-94.5	0	0	0	108.9	H76	H76-Y78 PolarHBondContact O-N 3.27Å
79	T	28.4	Very low	28.9	Very low	115 Å²	115	135.7 Å²	135.7	71%	0.706	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-87.3	125	163.9	25.3	0	0	0	0	109.9
80	P	27	Very low	28.8	Very low	112 Å²	112	133 Å²	133	73%	0.727	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-80.8	124.4	164.8	31	-26.5	0	0	0	109.4
81	H	28.5	Very low	28.8	Very low	182 Å²	182	135.5 Å²	135.5	84%	0.843	76%	0.757	S	S	*	*			trans	55.2	81.9	165	-57.8	-64.2	0	0	0	118.7
82	T	25	Very low	28.6	Very low	106 Å²	106	139.1 Å²	139.1	65%	0.65	76%	0.76	S	S	*	*			trans	-106.7	125.6	140.9	33	0	0	0	0	108.6	I84	T82-I84 PolarHBondContact O-N 2.9Å; T82-I84 VanDerWaalsContact O-N 3.1Å
83	H	27.9	Very low	28.5	Very low	173 Å²	173	136.6 Å²	136.6	80%	0.801	76%	0.757	S	S	*	*			trans	-65.6	105.7	177.7	-101.8	-101.3	0	0	0	109.9	S85	H83-S85 PolarHBondContact ND1-OG 2.57Å; H83-S85 VanDerWaalsContact ND1-OG 3.17Å
84	I	30.3	Very low	28.5	Very low	92 Å²	92	133.9 Å²	133.9	47%	0.472	76%	0.755	S	S	.	*			trans	-81.2	108.9	152.7	-62.6	171.7	0	0	0	104.7	T82	T82-I84 PolarHBondContact O-N 2.9Å; T82-I84 VanDerWaalsContact O-N 3.1Å
85	S	26.1	Very low	28.3	Very low	71 Å²	71	132.9 Å²	132.9	50%	0.497	75%	0.752	S	S	.	*			trans	-128.9	141.8	175.3	-72.7	0	0	0	0	110.6	H83	H83-S85 PolarHBondContact ND1-OG 2.57Å; H83-S85 VanDerWaalsContact ND1-OG 3.17Å
86	P	29	Very low	28.2	Very low	98 Å²	98	134.5 Å²	134.5	64%	0.636	76%	0.756	S	S	*	*			trans	-73.3	139.8	-172.6	28.6	-32.5	0	0	0	111.2	K88	P86-K88 PolarHBondContact O-N 3.15Å
87	V	29.5	Very low	28	Very low	151 Å²	151	133.7 Å²	133.7	92%	0.915	76%	0.761	S	S	*	*			trans	-61.6	121.3	170.3	-178.2	0	0	0	0	108.8
88	K	27.4	Very low	28.5	Very low	177 Å²	177	134.8 Å²	134.8	77%	0.77	75%	0.754	S	S	*	*			trans	-125.8	133.1	170.8	-100.1	-174.5	176.3	-178.3	0	109	P86	P86-K88 PolarHBondContact O-N 3.15Å
89	P	29.3	Very low	28.5	Very low	133 Å²	133	131.8 Å²	131.8	86%	0.864	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-74.9	131.2	173.1	28.3	-30.6	0	0	0	111
90	V	27.9	Very low	28.4	Very low	127 Å²	127	136.6 Å²	136.6	77%	0.77	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-100.5	123.9	177.1	173.4	0	0	0	0	110.2	M92	V90-M92 HydrophobicContact CG1-CG 4.36Å
91	L	29.1	Very low	28.3	Very low	155 Å²	155	136.5 Å²	136.5	81%	0.812	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-83.4	133.4	166.7	-166	82.5	0	0	0	108.9
92	M	26.5	Very low	28.2	Very low	174 Å²	174	133.1 Å²	133.1	86%	0.857	75%	0.75	S	S	*	*			trans	-126.1	126.8	163.4	-79.2	-83.9	96.9	0	0	109.6	V90	V90-M92 HydrophobicContact CG1-CG 4.36Å
93	S	27.3	Very low	28.3	Very low	101 Å²	101	132.2 Å²	132.2	71%	0.706	75%	0.753	S	S	*	*			trans	-109.4	130.3	176.6	153.7	0	0	0	0	108.4
94	T	28.5	Very low	28.2	Very low	148 Å²	148	130.4 Å²	130.4	91%	0.908	75%	0.754	S	S	*	*			trans	-140	121.7	150.2	42.4	0	0	0	0	108.1
95	G	27.1	Very low	28	Very low	59 Å²	59	130.2 Å²	130.2	61%	0.608	76%	0.761	S	S	*	*			trans	-92	161.2	178	0	0	0	0	0	112.6
96	H	29.1	Very low	28	Very low	198 Å²	198	132.4 Å²	132.4	92%	0.917	77%	0.772	S	S	*	*			trans	-164.3	120.1	140.1	-83.8	-56.8	0	0	0	109
97	T	29.7	Very low	27.9	Very low	131 Å²	131	136 Å²	136	80%	0.804	79%	0.785	S	S	*	*			trans	-73.7	169.7	159.6	44.3	0	0	0	0	110.3
98	P	39.9	Very low	27.6	Very low	108 Å²	108	132.4 Å²	132.4	70%	0.701	78%	0.778	S	S	*	*			cis	-155.4	-177.6	31.8	44	-21.2	0	0	0	120.1
99	M	25.6	Very low	27.5	Very low	156 Å²	156	131.4 Å²	131.4	77%	0.768	78%	0.781	S	S	*	*			trans	76.2	117.4	153.4	-59	-53.5	-153.4	0	0	120.3
100	Y	26.3	Very low	27.2	Very low	217 Å²	217	131.3 Å²	131.3	85%	0.851	78%	0.778	S	S	*	*				-166	141.4	86.9	-109.7	-93.6	0	0	0	112.3
101	T	24	Very low	27.3	Very low	110 Å²	110	130.6 Å²	130.6	68%	0.675	78%	0.776	S	S	*	*			trans	-32.7	148.4	166.8	51.7	0	0	0	0	116.5
102	S	27.1	Very low	27.6	Very low	110 Å²	110	128.4 Å²	128.4	77%	0.769	77%	0.771	S	S	*	*				177.4	127.6	60.2	27.9	0	0	0	0	109.1
103	A	26.6	Very low	27.3	Very low	87 Å²	87	126.5 Å²	126.5	72%	0.719	77%	0.769	S	S	*	*				81.3	113.5	102.8	0	0	0	0	0	116.1
104	V	25.4	Very low	27.2	Very low	136 Å²	136	127.4 Å²	127.4	82%	0.824	77%	0.77	S	S	*	*				86.4	123.9	110.3	164.6	0	0	0	0	111.8
105	S	26.3	Very low	26.9	Very low	88 Å²	88	125.6 Å²	125.6	62%	0.615	76%	0.758	S	S	*	*			cis	-174.6	157	13.6	-81.9	0	0	0	0	112.3
106	T	27.6	Very low	26.7	Very low	117 Å²	117	129.4 Å²	129.4	72%	0.718	77%	0.765	S	S	*	*			trans	66.5	119	135.3	56.3	0	0	0	0	124.8
107	L	26.1	Very low	26.4	Very low	173 Å²	173	125.1 Å²	125.1	91%	0.906	75%	0.753	S	S	*	*				69.2	124.1	123.8	-73.2	158.4	0	0	0	121.7
108	G	24.1	Very low	26.2	Very low	75 Å²	75	125.3 Å²	125.3	77%	0.773	75%	0.749	S	S	*	*				133.9	101.7	127.9	0	0	0	0	0	117.8
109	N	24.2	Very low	25.5	Very low	156 Å²	156	125.9 Å²	125.9	83%	0.834	75%	0.751	S	S	*	*			trans	-65.1	142.4	164.2	-71.1	-21.5	0	0	0	111.8
110	T	22.3	Very low	25.6	Very low	131 Å²	131	125.6 Å²	125.6	80%	0.804	75%	0.751	S	S	*	*				157.5	-178.2	90.7	45.8	0	0	0	0	107.6
111	P	30.9	Very low	25.6	Very low	112 Å²	112	122.4 Å²	122.4	73%	0.727	75%	0.749	S	S	*	*				-125.1	-142.8	-66.4	36.8	-15.4	0	0	0	108.9
112	P	34.5	Very low	25.6	Very low	110 Å²	110	120.8 Å²	120.8	71%	0.714	76%	0.755	S	S	*	*			cis	-128.5	-169.6	-43	25.3	-0.5	0	0	0	113.7
113	V	21.3	Very low	25.5	Very low	133 Å²	133	120.9 Å²	120.9	81%	0.806	76%	0.755	S	S	*	*			trans	103.6	124.9	143.8	-166.9	0	0	0	0	120.8
114	V	24.6	Very low	26.3	Very low	120 Å²	120	121.4 Å²	121.4	73%	0.727	75%	0.751	S	S	*	*			trans	-70.1	152.4	173.3	-158.6	0	0	0	0	110
115	V	22.7	Very low	26.3	Very low	110 Å²	110	125.4 Å²	125.4	67%	0.667	75%	0.753	S	S	*	*				173.8	134.6	73.5	-175.3	0	0	0	0	109.7
116	N	22.1	Very low	26.3	Very low	139 Å²	139	127.2 Å²	127.2	74%	0.743	76%	0.76	S	S	*	*			trans	50.8	155	148.4	-57.5	-2.2	0	0	0	121.5
117	T	23.9	Very low	26.4	Very low	109 Å²	109	129.5 Å²	129.5	67%	0.669	77%	0.768	S	S	*	*			cis	-169.7	147.9	29.9	5.5	0	0	0	0	109.6
118	D	23.8	Very low	26.5	Very low	134 Å²	134	124.3 Å²	124.3	72%	0.717	76%	0.756	S	S	*	*			trans	37.6	131.5	138.3	-48	-30.1	0	0	0	122.8
119	T	26.1	Very low	27	Very low	120 Å²	120	127.9 Å²	127.9	74%	0.736	76%	0.763	S	S	*	*				160.6	135.8	97.6	35.6	0	0	0	0	116.1
120	L	28.3	Very low	27.9	Very low	150 Å²	150	128.4 Å²	128.4	79%	0.785	76%	0.761	S	S	*	*			trans	79.4	141	139.5	-68.5	161.8	0	0	0	120.1
121	D	25.8	Very low	29.2	Very low	151 Å²	151	124.1 Å²	124.1	81%	0.807	74%	0.742	S	S	*	*			cis	-177	159.6	-7.9	-154.5	-7.7	0	0	0	108.6
122	G	24.5	Very low	30.5	Very low	76 Å²	76	125.4 Å²	125.4	78%	0.784	74%	0.739	S	S	*	*			trans	158.3	81.9	166.6	0	0	0	0	0	119.1
123	S	23.7	Very low	32.3	Very low	112 Å²	112	123.3 Å²	123.3	78%	0.783	72%	0.721	S	S	*	*			trans	-83.8	-178.1	171.9	-149.5	0	0	0	0	113.2
124	P	44.4	Very low	35.1	Very low	97 Å²	97	121.3 Å²	121.3	63%	0.63	70%	0.703	S	S	*	*			cis	-144.4	-176.2	4.2	36.4	-11.9	0	0	0	118.9
125	Y	24.8	Very low	38	Very low	220 Å²	220	122.6 Å²	122.6	86%	0.863	70%	0.695	S	S	*	*			trans	96.6	125	171.4	-68.3	-79.5	0	0	0	115.8
126	V	25.8	Very low	41.1	Very low	126 Å²	126	120 Å²	120	76%	0.764	68%	0.676	S	S	*	*			cis	-152.9	142.1	12.2	-177.1	0	0	0	0	110.2
127	N	29.6	Very low	44.5	Very low	165 Å²	165	117.4 Å²	117.4	88%	0.882	66%	0.659	S	S	*	*			trans	9.6	121	164.9	-76.3	-12.2	0	0	0	122.4
128	G	28.2	Very low	47.9	Very low	64 Å²	64	112.2 Å²	112.2	66%	0.66	63%	0.628	S	S	*	*			trans	-173.6	126.5	145.4	0	0	0	0	0	108.1	E130	G128-E130 PolarHBondContact O-N 2.98Å
129	T	35.8	Very low	51.2	Low	150 Å²	150	108.5 Å²	108.5	92%	0.92	61%	0.61	S	S	*	*			trans	-52.1	103.2	-177.9	42.5	0	0	0	0	111.5	G131	T129-G131 PolarHBondContact O-N 2.89Å; T129-G131 VanDerWaalsContact O-N 3.09Å
130	E	42.5	Very low	54.5	Low	168 Å²	168	103 Å²	103	79%	0.785	58%	0.576	S	S	*	*			trans	-64.1	107.7	176.1	-70.8	-179.5	163	0	0	108.8	G128	G128-E130 PolarHBondContact O-N 2.98Å
131	G	50.7	Low	57.4	Low	41 Å²	41	102.7 Å²	102.7	42%	0.423	57%	0.571	S	S	.	*			trans	-60.6	135.2	155.9	0	0	0	0	0	107.5	T129 I133	T129-G131 PolarHBondContact O-N 2.89Å; T129-G131 VanDerWaalsContact O-N 3.09Å; G131-I133 WeakPolarHBondContact O-CG1 3.36Å; G131-I133 PolarHBondContact O-N 2.91Å
132	E	58	Low	60.5	Low	138 Å²	138	99.4 Å²	99.4	65%	0.645	55%	0.547	S	S	*	.			trans	-42.8	111.7	-178.3	-73.7	-178.6	170.4	0	0	110.8	K224	E132-K224 HydrophobicContact CB-CD 4.38Å; E132-K224 PolarHBondContact O-N 2.95Å; E132-K224 IonicContact OE2-NZ 3.73Å; E132-K224 PolarHBondContact OE2-NZ 3.35Å
133	I	70.9	Confident	63.1	Low	66 Å²	66	97.4 Å²	97.4	34%	0.338	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	125.8	178.4	-60.3	-178.6	0	0	0	107.4	G131 Y135 L221	G131-I133 WeakPolarHBondContact O-CG1 3.36Å; G131-I133 PolarHBondContact O-N 2.91Å; I133-Y135 HydrophobicContact CG2-CE2 3.89Å; I133-L221 HydrophobicContact CG2-CD1 3.39Å; I133-L221 HydrophobicContact CG2-CD2 4.07Å; I133-L221 HydrophobicContact CG2-CG 3.48Å; I133-L221 VanDerWaalsContact CG2-CG 3.48Å
134	E	80.3	Confident	65.4	Low	91 Å²	91	101 Å²	101	43%	0.425	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	135.1	178.3	-171.1	166.9	-167.9	0	0	110	L221 R222 K224	E134-L221 WeakPolarHBondContact O-CA 3.42Å; E134-R222 PolarHBondContact N-O 3.4Å; E134-R222 PolarHBondContact O-N 2.9Å; E134-K224 VanDerWaalsContact OE2-CE 3.31Å; E134-K224 WeakPolarHBondContact OE2-CE 3.18Å; E134-K224 IonicContact OE2-NZ 3.21Å
135	Y	86.3	Confident	66.7	Low	147 Å²	147	101 Å²	101	58%	0.576	54%	0.538	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.1	136.8	178	-62.5	-93	0	0	0	109.7	I133 L190 V220 L221	I133-Y135 HydrophobicContact CG2-CE2 3.89Å; Y135-L190 HydrophobicContact CD1-CD1 3.8Å; Y135-L190 HydrophobicContact CE1-CD1 3.61Å; Y135-V220 WeakPolarHBondContact CA-O 3.48Å; Y135-L221 HydrophobicContact CD1-CB 4.3Å; Y135-L221 HydrophobicContact CD1-CD1 4.4Å; Y135-L221 HydrophobicContact CE1-CB 4.31Å; Y135-L221 HydrophobicContact CE1-CD1 3.65Å; Y135-L221 HydrophobicContact CE1-CG 4.35Å
136	E	88.1	Confident	69.6	Low	56 Å²	56	91.3 Å²	91.3	26%	0.262	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	135.9	179.3	-162.5	172.4	174.1	0	0	111	I138 V220	E136-I138 HydrophobicContact CG-CD1 4.46Å; E136-I138 HydrophobicContact CG-CG1 4.02Å; E136-V220 HydrophobicContact CB-CG2 4.06Å; E136-V220 PolarHBondContact N-O 3.11Å; E136-V220 WeakPolarHBondContact O-CG2 3.29Å; E136-V220 PolarHBondContact O-N 2.64Å
137	E	92.9	Very high	72.6	Confident	84 Å²	84	85.9 Å²	85.9	39%	0.393	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	118.7	170.2	-173.4	-171	119.5	0	0	109.2	L218 Y219	E137-L218 CarbonylContact C-O 3.41Å; E137-L218 WeakPolarHBondContact CA-O 3.41Å; E137-Y219 HydrophobicContact CB-CD2 4.39Å; E137-Y219 HydrophobicContact CB-CE1 4.31Å; E137-Y219 HydrophobicContact CB-CE2 3.98Å; E137-Y219 HydrophobicContact CG-CD2 3.98Å; E137-Y219 HydrophobicContact CG-CE2 3.52Å; E137-Y219 WeakPolarHBondContact OE2-CE2 3.38Å; E137-Y219 PolarHBondContact OE2-OH 2.79Å
138	I	94.5	Very high	75.4	Confident	0 Å²	0	78.2 Å²	78.2	0%	0	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	116.9	-177.5	-56.1	175.6	0	0	0	108.8	E136 L140 R182 L183 R217 L218 V220	E136-I138 HydrophobicContact CG-CD1 4.46Å; E136-I138 HydrophobicContact CG-CG1 4.02Å; I138-L140 HydrophobicContact CG2-CD2 3.85Å; I138-L140 HydrophobicContact CG2-CG 3.97Å; I138-R182 HydrophobicContact CD1-CB 3.96Å; I138-R182 HydrophobicContact CG1-CB 4.26Å; I138-L183 HydrophobicContact CD1-CB 3.98Å; I138-L183 HydrophobicContact CD1-CD1 3.8Å; I138-R217 CarbonylContact O-C 3.45Å; I138-L218 PolarHBondContact N-O 3.01Å; I138-L218 PolarHBondContact O-N 3Å; I138-V220 HydrophobicContact CD1-CG2 3.85Å; I138-V220 HydrophobicContact CG1-CG2 4.42Å
139	T	94.7	Very high	78.5	Confident	56 Å²	56	76.2 Å²	76.2	34%	0.344	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	119.6	172.8	-57.8	0	0	0	0	109.6	I215 V216 R217	T139-I215 HydrophobicContact CG2-CG2 3.47Å; T139-I215 VanDerWaalsContact CG2-CG2 3.47Å; T139-V216 WeakPolarHBondContact CA-O 3.38Å; T139-R217 HydrophobicContact CG2-CG 4.06Å
140	L	93.9	Very high	80.9	Confident	4 Å²	4	71.3 Å²	71.3	2%	0.021	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	138.3	177.6	-61.9	177	0	0	0	110.4	I138 L147 F149 A177 D180 L183 V216 L218	I138-L140 HydrophobicContact CG2-CD2 3.85Å; I138-L140 HydrophobicContact CG2-CG 3.97Å; L140-L147 HydrophobicContact CB-CD2 4.07Å; L140-F149 HydrophobicContact CD1-CD1 4.17Å; L140-F149 HydrophobicContact CD1-CE1 3.82Å; L140-A177 HydrophobicContact CD1-CB 3.85Å; L140-D180 HydrophobicContact CD2-CB 3.51Å; L140-L183 HydrophobicContact CD1-CD2 4.35Å; L140-V216 PolarHBondContact N-O 3.33Å; L140-V216 PolarHBondContact O-N 2.84Å; L140-L218 HydrophobicContact CD1-CD1 4.04Å
141	E	90.6	Very high	83.2	Confident	145 Å²	145	64.5 Å²	64.5	68%	0.678	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.9	129.9	167.3	-168.4	176.4	179.8	0	0	109.5	G143 A176 A214	E141-G143 PolarHBondContact O-N 2.93Å; E141-A176 WeakPolarHBondContact O-CB 3.31Å; E141-A214 CarbonylContact C-O 2.92Å; E141-A214 WeakPolarHBondContact CA-O 3.49Å
142	R	90	Very high	84.6	Confident	82 Å²	82	63.3 Å²	63.3	31%	0.309	33%	0.332	S	S	.	.			trans	-68.5	113.5	-178.8	-170.7	-176.3	-62.6	-91.4	-6.8	109.6	L147 L209 G213 A214	R142-L147 HydrophobicContact CB-CD2 4.21Å; R142-L209 PolarHBondContact NH2-O 3.11Å; R142-G213 PolarHBondContact NE-O 2.8Å; R142-G213 PolarHBondContact NH2-O 3.42Å; R142-G213 VanDerWaalsContact NH2-O 3.15Å; R142-A214 WeakPolarHBondContact CB-O 3.27Å; R142-A214 PolarHBondContact N-O 3.35Å
143	G	78.4	Confident	86	Confident	34 Å²	34	56.8 Å²	56.8	35%	0.351	30%	0.302	S	S	.	.	B	Isolated β-bridge	trans	-77.5	179.8	172.9	0	0	0	0	0	112.7	E141 S145 G146	E141-G143 PolarHBondContact O-N 2.93Å; G143-S145 PolarHBondContact O-N 3.27Å; G143-G146 PolarHBondContact N-O 3.07Å; G143-G146 PolarHBondContact O-N 3Å
144	N	73.2	Confident	86.8	Confident	188 Å²	188	53.6 Å²	53.6	100%	1.005	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-18.5	179	-74.2	-7.7	0	0	0	114.2
145	S	70.7	Confident	86.9	Confident	95 Å²	95	52.7 Å²	52.7	66%	0.664	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.9	13.8	177.2	53.8	0	0	0	0	113.5	G143	G143-S145 PolarHBondContact O-N 3.27Å
146	G	86.4	Confident	86.8	Confident	17 Å²	17	50.1 Å²	50.1	18%	0.175	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	93	-152.9	-176.1	0	0	0	0	0	113.1	G143	G143-G146 PolarHBondContact N-O 3.07Å; G143-G146 PolarHBondContact O-N 3Å
147	L	88.4	Confident	86.2	Confident	13 Å²	13	52.1 Å²	52.1	7%	0.068	30%	0.295	C	S	.	.	S	Bend	trans	-81.7	-13.1	-177.6	-63	169.6	0	0	0	113.6	L140 R142 F149 A177 L209 V216	L140-L147 HydrophobicContact CB-CD2 4.07Å; R142-L147 HydrophobicContact CB-CD2 4.21Å; L147-F149 HydrophobicContact CB-CD1 3.81Å; L147-F149 HydrophobicContact CB-CE1 3.44Å; L147-F149 VanDerWaalsContact CB-CE1 3.44Å; L147-F149 HydrophobicContact CB-CZ 4.21Å; L147-F149 HydrophobicContact CD1-CE1 3.87Å; L147-F149 HydrophobicContact CD1-CZ 3.92Å; L147-F149 HydrophobicContact CG-CE1 4.25Å; L147-A177 VanDerWaalsContact O-CB 3.31Å; L147-A177 WeakPolarHBondContact O-CB 3.46Å; L147-A177 PolarHBondContact O-N 3.1Å; L147-L209 HydrophobicContact CD1-CD2 3.92Å; L147-V216 HydrophobicContact CD1-CB 4.11Å; L147-V216 HydrophobicContact CD1-CG1 3.98Å; L147-V216 HydrophobicContact CD1-CG2 4Å; L147-V216 HydrophobicContact CD2-CB 3.79Å; L147-V216 HydrophobicContact CD2-CG2 3.65Å; L147-V216 HydrophobicContact CG-CG2 4.35Å
148	G	88.8	Confident	85.5	Confident	3 Å²	3	50.7 Å²	50.7	3%	0.031	29%	0.293	C	S	.	.	S	Bend	trans	78.3	28.8	174.1	0	0	0	0	0	115	I172	G148-I172 WeakPolarHBondContact O-CB 3.48Å; G148-I172 PolarHBondContact O-N 3.05Å
149	F	92.9	Very high	84.5	Confident	23 Å²	23	54.9 Å²	54.9	10%	0.101	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	164.4	170.6	63.7	-96.5	0	0	0	111.6	L140 L147 I151 I168 K170 I171 A177 L183 I189 L209 L218	L140-F149 HydrophobicContact CD1-CD1 4.17Å; L140-F149 HydrophobicContact CD1-CE1 3.82Å; L147-F149 HydrophobicContact CB-CD1 3.81Å; L147-F149 HydrophobicContact CB-CE1 3.44Å; L147-F149 VanDerWaalsContact CB-CE1 3.44Å; L147-F149 HydrophobicContact CB-CZ 4.21Å; L147-F149 HydrophobicContact CD1-CE1 3.87Å; L147-F149 HydrophobicContact CD1-CZ 3.92Å; L147-F149 HydrophobicContact CG-CE1 4.25Å; F149-I151 HydrophobicContact CD2-CG2 3.82Å; F149-I151 HydrophobicContact CE2-CG2 3.6Å; F149-I168 HydrophobicContact CB-CG2 4.24Å; F149-I168 HydrophobicContact CD2-CD1 3.39Å; F149-I168 HydrophobicContact CE2-CD1 3.58Å; F149-I168 HydrophobicContact CG-CD1 4.09Å; F149-I168 HydrophobicContact CZ-CD1 4.4Å; F149-K170 CarbonylContact C-O 3.58Å; F149-K170 WeakPolarHBondContact CA-O 3.36Å; F149-K170 WeakPolarHBondContact CB-O 3.47Å; F149-I171 HydrophobicContact CB-CD1 4.11Å; F149-A177 HydrophobicContact CB-CB 4.32Å; F149-A177 HydrophobicContact CD1-CB 3.84Å; F149-L183 HydrophobicContact CB-CD2 4.09Å; F149-L183 HydrophobicContact CD1-CD2 3.46Å; F149-L183 VanDerWaalsContact CD1-CD2 3.46Å; F149-L183 HydrophobicContact CD2-CD2 4.37Å; F149-L183 HydrophobicContact CE1-CD2 3.85Å; F149-L183 HydrophobicContact CG-CD2 3.73Å; F149-L183 HydrophobicContact CZ-CD2 4.46Å; F149-I189 HydrophobicContact CE2-CD1 3.96Å; F149-I189 HydrophobicContact CZ-CD1 4.43Å; F149-L209 HydrophobicContact CE2-CD1 4.21Å; F149-L209 HydrophobicContact CE2-CD2 4.36Å; F149-L209 HydrophobicContact CZ-CD2 3.89Å; F149-L218 HydrophobicContact CE1-CD1 3.67Å; F149-L218 HydrophobicContact CZ-CD1 3.58Å
150	S	86.1	Confident	83.5	Confident	46 Å²	46	55.8 Å²	55.8	32%	0.322	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	147	175.1	-57.6	0	0	0	0	110.5	I168 T169 K170	S150-I168 CarbonylContact O-C 3.54Å; S150-I168 WeakPolarHBondContact O-CA 3.43Å; S150-T169 PolarHBondContact O-N 2.79Å; S150-T169 PolarHBondContact O-OG1 3.37Å; S150-K170 PolarHBondContact N-O 3.12Å
151	I	91.7	Very high	82.7	Confident	25 Å²	25	58.6 Å²	58.6	13%	0.128	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	153.4	177.1	62.9	161.6	0	0	0	111.4	F149 I166 F167 I168 I189 A205 V206 L209	F149-I151 HydrophobicContact CD2-CG2 3.82Å; F149-I151 HydrophobicContact CE2-CG2 3.6Å; I151-I166 HydrophobicContact CB-CG2 3.81Å; I151-I166 HydrophobicContact CD1-CG2 3.65Å; I151-I166 HydrophobicContact CG1-CG2 4.31Å; I151-I166 HydrophobicContact CG2-CG2 4.13Å; I151-F167 CarbonylContact C-O 3.55Å; I151-F167 WeakPolarHBondContact CA-O 3.49Å; I151-I168 HydrophobicContact CG2-CD1 3.92Å; I151-I189 HydrophobicContact CG2-CD1 3.64Å; I151-A205 HydrophobicContact CD1-CB 4.03Å; I151-V206 HydrophobicContact CD1-CG2 3.96Å; I151-V206 HydrophobicContact CG1-CG2 4.45Å; I151-L209 HydrophobicContact CD1-CD1 3.64Å; I151-L209 HydrophobicContact CG1-CD1 4.27Å; I151-L209 HydrophobicContact CG2-CD1 4.09Å
152	A	80.1	Confident	81.8	Confident	17 Å²	17	59.5 Å²	59.5	14%	0.14	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	165.7	166.8	0	0	0	0	0	109.6	H159 I166 F167 T169	A152-H159 HydrophobicContact CB-CB 4.1Å; A152-I166 CarbonylContact O-C 3.55Å; A152-I166 WeakPolarHBondContact O-CA 3.4Å; A152-F167 PolarHBondContact N-O 2.85Å; A152-F167 PolarHBondContact O-N 2.96Å; A152-T169 HydrophobicContact CB-CG2 3.37Å
153	G	87.6	Confident	81.3	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	35%	0.351	C	S	.	.			trans	102.9	-179.2	-175.8	0	0	0	0	0	112.4	N157 S165 I166 H202	G153-N157 CarbonylContact C-O 3.45Å; G153-N157 WeakPolarHBondContact CA-O 3.22Å; G153-S165 WeakPolarHBondContact CA-O 3.36Å; G153-I166 VanDerWaalsContact C-CD1 3.47Å; G153-I166 WeakPolarHBondContact O-CD1 3.49Å; G153-H202 VanDerWaalsContact O-CB 3.3Å; G153-H202 WeakPolarHBondContact O-CB 3.16Å; G153-H202 PolarHBondContact O-ND1 2.84Å
154	G	86.6	Confident	81.5	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	34%	0.342	C	S	.	.			trans	123.4	156.9	-170.9	0	0	0	0	0	110.6	D156 N157 P158 P164 V200	G154-D156 PolarHBondContact O-N 3.13Å; G154-D156 VanDerWaalsContact O-N 3.12Å; G154-N157 CarbonylContact O-C 3.59Å; G154-N157 PolarHBondContact O-N 2.94Å; G154-P158 VanDerWaalsContact O-N 3.17Å; G154-P164 CarbonylContact C-O 3.5Å; G154-P164 WeakPolarHBondContact CA-O 3.3Å; G154-P164 PolarHBondContact N-O 3.42Å; G154-P164 VanDerWaalsContact N-O 3.07Å; G154-V200 CarbonylContact C-O 3.55Å; G154-V200 WeakPolarHBondContact CA-O 3.17Å
155	T	82.6	Confident	82.2	Confident	72 Å²	72	48.9 Å²	48.9	44%	0.442	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-23.1	-175.7	57.1	0	0	0	0	113.9	P164 V200	T155-P164 HydrophobicContact CG2-CB 3.76Å; T155-V200 PolarHBondContact N-O 2.76Å
156	D	84.1	Confident	83.3	Confident	93 Å²	93	44.4 Å²	44.4	50%	0.497	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-17.3	178.1	60.4	-29.1	0	0	0	113.5	G154 T201 H202	G154-D156 PolarHBondContact O-N 3.13Å; G154-D156 VanDerWaalsContact O-N 3.12Å; D156-T201 HydrophobicContact CB-CG2 4.3Å; D156-T201 VanDerWaalsContact OD1-CA 3.3Å; D156-T201 WeakPolarHBondContact OD1-CA 3.17Å; D156-H202 PolarHBondContact OD1-N 3.38Å
157	N	76.8	Confident	83.5	Confident	97 Å²	97	44.3 Å²	44.3	52%	0.519	27%	0.265	S	S	.	.	S	Bend	trans	-149.4	69.2	-178	-168.5	34.9	0	0	0	111.1	G153 G154 H159	G153-N157 CarbonylContact C-O 3.45Å; G153-N157 WeakPolarHBondContact CA-O 3.22Å; G154-N157 CarbonylContact O-C 3.59Å; G154-N157 PolarHBondContact O-N 2.94Å; N157-H159 PolarHBondContact O-N 2.88Å
158	P	77.5	Confident	83.5	Confident	54 Å²	54	43.7 Å²	43.7	35%	0.351	26%	0.261	S	S	.	.			trans	-64.2	128.2	-176.2	27.6	-34.7	0	0	0	110.1	G154 G161 D163	G154-P158 VanDerWaalsContact O-N 3.17Å; P158-G161 WeakPolarHBondContact CB-O 3.18Å; P158-G161 WeakPolarHBondContact CG-O 3.5Å; P158-D163 VanDerWaalsContact CB-O 3.31Å; P158-D163 WeakPolarHBondContact CB-O 3.16Å
159	H	74.1	Confident	83.1	Confident	89 Å²	89	46 Å²	46	41%	0.412	28%	0.275	S	S	.	.	S	Bend	trans	-82.3	-27.7	-174.6	-177.8	53.3	0	0	0	112.4	A152 N157 F167	A152-H159 HydrophobicContact CB-CB 4.1Å; N157-H159 PolarHBondContact O-N 2.88Å; H159-F167 HydrophobicContact CB-CD2 4.03Å
160	V	73.6	Confident	82.3	Confident	74 Å²	74	50.7 Å²	50.7	45%	0.448	30%	0.295	S	S	.	.	B	Isolated β-bridge	trans	-129.5	97	-176.6	-176.6	0	0	0	0	109.3	D162 D163 F167	V160-D162 PolarHBondContact O-N 3.03Å; V160-D163 HydrophobicContact CB-CB 4.47Å; V160-D163 WeakPolarHBondContact O-CB 3.31Å; V160-D163 PolarHBondContact O-N 2.73Å; V160-F167 HydrophobicContact CB-CE2 4.38Å; V160-F167 HydrophobicContact CB-CZ 4.33Å; V160-F167 HydrophobicContact CG2-CD2 4.42Å; V160-F167 HydrophobicContact CG2-CE1 4.4Å; V160-F167 HydrophobicContact CG2-CE2 4.06Å; V160-F167 HydrophobicContact CG2-CZ 4.04Å
161	G	75.5	Confident	82	Confident	63 Å²	63	50.2 Å²	50.2	65%	0.649	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.7	-128.6	-178	0	0	0	0	0	111.6	P158	P158-G161 WeakPolarHBondContact CB-O 3.18Å; P158-G161 WeakPolarHBondContact CG-O 3.5Å
162	D	72.3	Confident	81.5	Confident	164 Å²	164	52.4 Å²	52.4	88%	0.877	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	16.8	175.1	-65	-33.1	0	0	0	112.9	V160 P164	V160-D162 PolarHBondContact O-N 3.03Å; D162-P164 WeakPolarHBondContact O-CD 2.99Å
163	D	80	Confident	81.1	Confident	35 Å²	35	57.1 Å²	57.1	19%	0.187	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-79.6	115.6	179.3	-167.6	-26.9	0	0	0	110.8	P158 V160 S165 R223	P158-D163 VanDerWaalsContact CB-O 3.31Å; P158-D163 WeakPolarHBondContact CB-O 3.16Å; V160-D163 HydrophobicContact CB-CB 4.47Å; V160-D163 WeakPolarHBondContact O-CB 3.31Å; V160-D163 PolarHBondContact O-N 2.73Å; D163-S165 PolarHBondContact O-N 3Å; D163-S165 WeakPolarHBondContact OD1-CB 3.36Å; D163-S165 PolarHBondContact OD1-N 2.79Å; D163-S165 PolarHBondContact OD1-OG 2.95Å; D163-R223 IonicContact OD2-NH2 3.13Å
164	P	82.1	Confident	80.6	Confident	25 Å²	25	59.8 Å²	59.8	16%	0.162	36%	0.357	C	S	.	.			trans	-78.5	-3.7	-177.3	33.2	-36	0	0	0	113.8	G154 T155 D162 E199	G154-P164 CarbonylContact C-O 3.5Å; G154-P164 WeakPolarHBondContact CA-O 3.3Å; G154-P164 PolarHBondContact N-O 3.42Å; G154-P164 VanDerWaalsContact N-O 3.07Å; T155-P164 HydrophobicContact CG2-CB 3.76Å; D162-P164 WeakPolarHBondContact O-CD 2.99Å; P164-E199 WeakPolarHBondContact CG-OE1 3.4Å; P164-E199 WeakPolarHBondContact CG-OE2 3.36Å
165	S	88.9	Confident	80.4	Confident	22 Å²	22	60 Å²	60	15%	0.154	36%	0.358	C	S	.	.			trans	-59.9	152.1	-175.1	-57.1	0	0	0	0	113.2	G153 D163 F167	G153-S165 WeakPolarHBondContact CA-O 3.36Å; D163-S165 PolarHBondContact O-N 3Å; D163-S165 WeakPolarHBondContact OD1-CB 3.36Å; D163-S165 PolarHBondContact OD1-N 2.79Å; D163-S165 PolarHBondContact OD1-OG 2.95Å; S165-F167 WeakPolarHBondContact O-CD2 3.38Å; S165-F167 WeakPolarHBondContact O-CE2 3.37Å
166	I	92.3	Very high	80.6	Confident	1 Å²	1	57.3 Å²	57.3	1%	0.005	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	115.6	175.1	-55.9	-62.9	0	0	0	109.7	I151 A152 G153 C188 I189 V197 A205	I151-I166 HydrophobicContact CB-CG2 3.81Å; I151-I166 HydrophobicContact CD1-CG2 3.65Å; I151-I166 HydrophobicContact CG1-CG2 4.31Å; I151-I166 HydrophobicContact CG2-CG2 4.13Å; A152-I166 CarbonylContact O-C 3.55Å; A152-I166 WeakPolarHBondContact O-CA 3.4Å; G153-I166 VanDerWaalsContact C-CD1 3.47Å; G153-I166 WeakPolarHBondContact O-CD1 3.49Å; I166-C188 CarbonylContact O-C 3.58Å; I166-C188 VanDerWaalsContact O-CA 3.3Å; I166-C188 WeakPolarHBondContact O-CA 3.34Å; I166-I189 HydrophobicContact CG2-CD1 4.24Å; I166-I189 PolarHBondContact O-N 3.02Å; I166-V197 HydrophobicContact CG1-CB 4.44Å; I166-V197 WeakPolarHBondContact CG1-O 3.42Å; I166-A205 HydrophobicContact CD1-CB 3.56Å; I166-A205 HydrophobicContact CG1-CB 3.67Å; I166-A205 HydrophobicContact CG2-CB 4.28Å
167	F	90.6	Very high	80.8	Confident	14 Å²	14	52.9 Å²	52.9	6%	0.061	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	142.3	-176.3	-62.7	-92.3	0	0	0	112.3	I151 A152 H159 V160 S165 T169 D187 C188	I151-F167 CarbonylContact C-O 3.55Å; I151-F167 WeakPolarHBondContact CA-O 3.49Å; A152-F167 PolarHBondContact N-O 2.85Å; A152-F167 PolarHBondContact O-N 2.96Å; H159-F167 HydrophobicContact CB-CD2 4.03Å; V160-F167 HydrophobicContact CB-CE2 4.38Å; V160-F167 HydrophobicContact CB-CZ 4.33Å; V160-F167 HydrophobicContact CG2-CD2 4.42Å; V160-F167 HydrophobicContact CG2-CE1 4.4Å; V160-F167 HydrophobicContact CG2-CE2 4.06Å; V160-F167 HydrophobicContact CG2-CZ 4.04Å; S165-F167 WeakPolarHBondContact O-CD2 3.38Å; S165-F167 WeakPolarHBondContact O-CE2 3.37Å; F167-T169 PolarHBondContact O-N 2.79Å; F167-D187 CarbonylContact C-O 3.46Å; F167-D187 WeakPolarHBondContact CA-O 3.11Å; F167-C188 WeakPolarHBondContact CD1-SG 3.49Å; F167-C188 WeakPolarHBondContact CE1-SG 3.38Å
168	I	88.6	Confident	81.1	Confident	0 Å²	0	50 Å²	50	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	115	165.9	-54.9	-57.6	0	0	0	109.3	F149 S150 I151 I171 L183 S184 N186 D187 I189	F149-I168 HydrophobicContact CB-CG2 4.24Å; F149-I168 HydrophobicContact CD2-CD1 3.39Å; F149-I168 HydrophobicContact CE2-CD1 3.58Å; F149-I168 HydrophobicContact CG-CD1 4.09Å; F149-I168 HydrophobicContact CZ-CD1 4.4Å; S150-I168 CarbonylContact O-C 3.54Å; S150-I168 WeakPolarHBondContact O-CA 3.43Å; I151-I168 HydrophobicContact CG2-CD1 3.92Å; I168-I171 HydrophobicContact CG2-CD1 4.01Å; I168-I171 HydrophobicContact CG2-CG1 4.44Å; I168-L183 HydrophobicContact CD1-CD1 4.44Å; I168-L183 HydrophobicContact CD1-CD2 4.02Å; I168-L183 HydrophobicContact CG1-CD1 4.08Å; I168-L183 HydrophobicContact CG1-CD2 4.21Å; I168-L183 HydrophobicContact CG1-CG 4.19Å; I168-S184 WeakPolarHBondContact CB-O 3.5Å; I168-N186 PolarHBondContact O-N 3.15Å; I168-D187 HydrophobicContact CB-CB 4.48Å; I168-D187 HydrophobicContact CG1-CB 3.98Å; I168-D187 WeakPolarHBondContact CG1-O 3.43Å; I168-D187 PolarHBondContact N-O 3.33Å; I168-I189 HydrophobicContact CD1-CD1 3.53Å; I168-I189 HydrophobicContact CD1-CG1 3.76Å; I168-I189 HydrophobicContact CG1-CG1 4.37Å
169	T	80.2	Confident	81.5	Confident	51 Å²	51	54.6 Å²	54.6	31%	0.313	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	-21.8	179.7	53.1	0	0	0	0	113.4	S150 A152 F167	S150-T169 PolarHBondContact O-N 2.79Å; S150-T169 PolarHBondContact O-OG1 3.37Å; A152-T169 HydrophobicContact CB-CG2 3.37Å; F167-T169 PolarHBondContact O-N 2.79Å
170	K	76.1	Confident	82.3	Confident	122 Å²	122	53 Å²	53	53%	0.53	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	136.5	-177.6	-168.4	173.2	-177.5	174.7	0	111.3	F149 S150	F149-K170 CarbonylContact C-O 3.58Å; F149-K170 WeakPolarHBondContact CA-O 3.36Å; F149-K170 WeakPolarHBondContact CB-O 3.47Å; S150-K170 PolarHBondContact N-O 3.12Å
171	I	80.9	Confident	82.8	Confident	37 Å²	37	52 Å²	52	19%	0.19	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	128.4	164.1	-59.6	-73.6	0	0	0	107.3	F149 I168 P173 A177 A178 L183 V185	F149-I171 HydrophobicContact CB-CD1 4.11Å; I168-I171 HydrophobicContact CG2-CD1 4.01Å; I168-I171 HydrophobicContact CG2-CG1 4.44Å; I171-P173 WeakPolarHBondContact O-CD 3.16Å; I171-A177 HydrophobicContact CD1-CB 4.16Å; I171-A178 HydrophobicContact CG2-CB 3.6Å; I171-L183 HydrophobicContact CD1-CB 3.91Å; I171-L183 HydrophobicContact CD1-CD2 3.8Å; I171-L183 HydrophobicContact CD1-CG 3.8Å; I171-L183 VanDerWaalsContact CD1-O 3.24Å; I171-L183 WeakPolarHBondContact CD1-O 3.5Å; I171-V185 HydrophobicContact CG1-CG2 4.14Å
172	I	80.6	Confident	83.3	Confident	71 Å²	71	53.7 Å²	53.7	36%	0.364	31%	0.312	S	S	.	.			trans	-85.8	114.8	-177	-58.8	177.1	0	0	0	108.8	G148 G174 G175 A178	G148-I172 WeakPolarHBondContact O-CB 3.48Å; G148-I172 PolarHBondContact O-N 3.05Å; I172-G174 PolarHBondContact O-N 3.45Å; I172-G175 PolarHBondContact O-N 3.09Å; I172-A178 WeakPolarHBondContact O-CB 3.49Å
173	P	72.1	Confident	84.2	Confident	116 Å²	116	46.2 Å²	46.2	75%	0.753	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	131.7	-179.5	-25.8	35.5	0	0	0	112.2	I171 G175	I171-P173 WeakPolarHBondContact O-CD 3.16Å; P173-G175 PolarHBondContact O-N 2.81Å
174	G	76.7	Confident	84.5	Confident	56 Å²	56	46.6 Å²	46.6	58%	0.577	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.3	-1.9	-175.9	0	0	0	0	0	115.2	I172 Q179	I172-G174 PolarHBondContact O-N 3.45Å; G174-Q179 PolarHBondContact O-NE2 3.3Å
175	G	82.4	Confident	84.5	Confident	3 Å²	3	48.7 Å²	48.7	3%	0.031	29%	0.29	C	S	.	.	S	Bend	trans	-80.4	169.8	169.8	0	0	0	0	0	112.8	I172 P173 A177 A178 Q179	I172-G175 PolarHBondContact O-N 3.09Å; P173-G175 PolarHBondContact O-N 2.81Å; G175-A177 PolarHBondContact O-N 3.4Å; G175-A178 PolarHBondContact O-N 3.26Å; G175-Q179 WeakPolarHBondContact O-CG 3.15Å; G175-Q179 PolarHBondContact O-N 3.48Å
176	A	86.4	Confident	84.2	Confident	17 Å²	17	52.7 Å²	52.7	14%	0.14	31%	0.31	C	S	.	.	H	α-helix	trans	-55.8	-46.3	-173.5	0	0	0	0	0	113.6	E141 A178 Q179 D180	E141-A176 WeakPolarHBondContact O-CB 3.31Å; A176-A178 PolarHBondContact O-N 2.77Å; A176-Q179 PolarHBondContact O-N 2.95Å; A176-D180 WeakPolarHBondContact O-CB 3.49Å; A176-D180 PolarHBondContact O-N 2.94Å
177	A	90.1	Very high	84	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-63	-36.3	175.9	0	0	0	0	0	114	L140 L147 F149 I171 G175 G181 L183	L140-A177 HydrophobicContact CD1-CB 3.85Å; L147-A177 VanDerWaalsContact O-CB 3.31Å; L147-A177 WeakPolarHBondContact O-CB 3.46Å; L147-A177 PolarHBondContact O-N 3.1Å; F149-A177 HydrophobicContact CB-CB 4.32Å; F149-A177 HydrophobicContact CD1-CB 3.84Å; I171-A177 HydrophobicContact CD1-CB 4.16Å; G175-A177 PolarHBondContact O-N 3.4Å; A177-G181 PolarHBondContact O-N 2.96Å; A177-L183 HydrophobicContact CB-CB 4.4Å; A177-L183 HydrophobicContact CB-CD2 3.94Å
178	A	82.6	Confident	84.1	Confident	35 Å²	35	52.3 Å²	52.3	29%	0.289	31%	0.308	S	S	.	.	H	α-helix	trans	-72.2	-34.2	176.9	0	0	0	0	0	112.5	I171 I172 G175 A176	I171-A178 HydrophobicContact CG2-CB 3.6Å; I172-A178 WeakPolarHBondContact O-CB 3.49Å; G175-A178 PolarHBondContact O-N 3.26Å; A176-A178 PolarHBondContact O-N 2.77Å
179	Q	84.4	Confident	84.5	Confident	151 Å²	151	52.3 Å²	52.3	71%	0.706	31%	0.309	S	S	*	.	H	α-helix	trans	-71.5	-38.1	176.3	-69.3	178.3	18.6	0	0	111.7	G174 G175 A176	G174-Q179 PolarHBondContact O-NE2 3.3Å; G175-Q179 WeakPolarHBondContact O-CG 3.15Å; G175-Q179 PolarHBondContact O-N 3.48Å; A176-Q179 PolarHBondContact O-N 2.95Å
180	D	91.3	Very high	85.1	Confident	57 Å²	57	50.9 Å²	50.9	31%	0.305	30%	0.299	S	S	.	.	H	α-helix	trans	-67.7	-42	172.3	-177.6	-84.5	0	0	0	111.4	L140 A176 R182	L140-D180 HydrophobicContact CD2-CB 3.51Å; A176-D180 WeakPolarHBondContact O-CB 3.49Å; A176-D180 PolarHBondContact O-N 2.94Å; D180-R182 VanDerWaalsContact C-N 3.28Å; D180-R182 PolarHBondContact O-N 3.12Å; D180-R182 WeakPolarHBondContact OD1-CB 3.3Å; D180-R182 WeakPolarHBondContact OD1-CG 3.45Å; D180-R182 IonicContact OD1-CZ 2.74Å; D180-R182 PolarHBondContact OD1-N 3.31Å; D180-R182 IonicContact OD1-NE 3.38Å; D180-R182 PolarHBondContact OD1-NE 3.19Å; D180-R182 IonicContact OD1-NH2 2.76Å; D180-R182 PolarHBondContact OD1-NH2 3.02Å; D180-R182 IonicContact OD2-CZ 3.64Å; D180-R182 IonicContact OD2-NE 3.37Å; D180-R182 PolarHBondContact OD2-NE 3.48Å; D180-R182 IonicContact OD2-NH2 3.49Å; D180-R182 PolarHBondContact OD2-NH2 3.45Å
181	G	84.9	Confident	86.1	Confident	53 Å²	53	47.9 Å²	47.9	55%	0.546	29%	0.286	S	S	.	.			trans	79	-3.2	169.1	0	0	0	0	0	115.8	A177	A177-G181 PolarHBondContact O-N 2.96Å
182	R	86.8	Confident	86.8	Confident	98 Å²	98	46.2 Å²	46.2	37%	0.37	28%	0.278	S	S	.	.			trans	-84.6	-32	178.7	-64.9	178.2	-73	167.2	-4.4	113.8	I138 D180 R222	I138-R182 HydrophobicContact CD1-CB 3.96Å; I138-R182 HydrophobicContact CG1-CB 4.26Å; D180-R182 VanDerWaalsContact C-N 3.28Å; D180-R182 PolarHBondContact O-N 3.12Å; D180-R182 WeakPolarHBondContact OD1-CB 3.3Å; D180-R182 WeakPolarHBondContact OD1-CG 3.45Å; D180-R182 IonicContact OD1-CZ 2.74Å; D180-R182 PolarHBondContact OD1-N 3.31Å; D180-R182 IonicContact OD1-NE 3.38Å; D180-R182 PolarHBondContact OD1-NE 3.19Å; D180-R182 IonicContact OD1-NH2 2.76Å; D180-R182 PolarHBondContact OD1-NH2 3.02Å; D180-R182 IonicContact OD2-CZ 3.64Å; D180-R182 IonicContact OD2-NE 3.37Å; D180-R182 PolarHBondContact OD2-NE 3.48Å; D180-R182 IonicContact OD2-NH2 3.49Å; D180-R182 PolarHBondContact OD2-NH2 3.45Å; R182-R222 PolarHBondContact O-NH2 3.38Å
183	L	89.8	Confident	87.5	Confident	6 Å²	6	44.7 Å²	44.7	3%	0.031	27%	0.27	C	S	.	.			trans	-75.7	131	179.5	-167.6	71.6	0	0	0	110.3	I138 L140 F149 I168 I171 A177 D187 L218 V220	I138-L183 HydrophobicContact CD1-CB 3.98Å; I138-L183 HydrophobicContact CD1-CD1 3.8Å; L140-L183 HydrophobicContact CD1-CD2 4.35Å; F149-L183 HydrophobicContact CB-CD2 4.09Å; F149-L183 HydrophobicContact CD1-CD2 3.46Å; F149-L183 VanDerWaalsContact CD1-CD2 3.46Å; F149-L183 HydrophobicContact CD2-CD2 4.37Å; F149-L183 HydrophobicContact CE1-CD2 3.85Å; F149-L183 HydrophobicContact CG-CD2 3.73Å; F149-L183 HydrophobicContact CZ-CD2 4.46Å; I168-L183 HydrophobicContact CD1-CD1 4.44Å; I168-L183 HydrophobicContact CD1-CD2 4.02Å; I168-L183 HydrophobicContact CG1-CD1 4.08Å; I168-L183 HydrophobicContact CG1-CD2 4.21Å; I168-L183 HydrophobicContact CG1-CG 4.19Å; I171-L183 HydrophobicContact CD1-CB 3.91Å; I171-L183 HydrophobicContact CD1-CD2 3.8Å; I171-L183 HydrophobicContact CD1-CG 3.8Å; I171-L183 VanDerWaalsContact CD1-O 3.24Å; I171-L183 WeakPolarHBondContact CD1-O 3.5Å; A177-L183 HydrophobicContact CB-CB 4.4Å; A177-L183 HydrophobicContact CB-CD2 3.94Å; L183-D187 HydrophobicContact CD1-CB 4.43Å; L183-L218 HydrophobicContact CD1-CD1 4.48Å; L183-L218 HydrophobicContact CD2-CD1 4.32Å; L183-V220 HydrophobicContact CD1-CG1 3.77Å; L183-V220 HydrophobicContact CD1-CG2 4.41Å
184	S	86.3	Confident	88.4	Confident	44 Å²	44	45.8 Å²	45.8	31%	0.308	27%	0.27	S	S	.	.			trans	-119.8	158.9	-177.5	-63.8	0	0	0	0	112.5	I168 D187 R222	I168-S184 WeakPolarHBondContact CB-O 3.5Å; S184-D187 PolarHBondContact N-OD2 2.8Å; S184-D187 WeakPolarHBondContact O-CB 3.21Å; S184-D187 VanDerWaalsContact O-CG 3.24Å; S184-D187 PolarHBondContact O-N 3.33Å; S184-R222 VanDerWaalsContact CB-NH2 3.28Å; S184-R222 PolarHBondContact OG-NH2 2.74Å
185	V	81.9	Confident	89.2	Confident	69 Å²	69	46.6 Å²	46.6	42%	0.418	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	141.3	169.8	179	0	0	0	0	109.1	I171 D187	I171-V185 HydrophobicContact CG1-CG2 4.14Å; V185-D187 VanDerWaalsContact C-N 3.31Å
186	N	82.7	Confident	89.8	Confident	106 Å²	106	49.5 Å²	49.5	57%	0.567	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.1	7.2	-172.5	-52.1	-41.4	0	0	0	116	I168	I168-N186 PolarHBondContact O-N 3.15Å
187	D	89.2	Confident	90.2	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.005	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-66.8	133.1	167.2	-70.8	-7.2	0	0	0	109.7	F167 I168 L183 S184 V185 V220 R222	F167-D187 CarbonylContact C-O 3.46Å; F167-D187 WeakPolarHBondContact CA-O 3.11Å; I168-D187 HydrophobicContact CB-CB 4.48Å; I168-D187 HydrophobicContact CG1-CB 3.98Å; I168-D187 WeakPolarHBondContact CG1-O 3.43Å; I168-D187 PolarHBondContact N-O 3.33Å; L183-D187 HydrophobicContact CD1-CB 4.43Å; S184-D187 PolarHBondContact N-OD2 2.8Å; S184-D187 WeakPolarHBondContact O-CB 3.21Å; S184-D187 VanDerWaalsContact O-CG 3.24Å; S184-D187 PolarHBondContact O-N 3.33Å; V185-D187 VanDerWaalsContact C-N 3.31Å; D187-V220 HydrophobicContact CB-CB 4.18Å; D187-V220 HydrophobicContact CB-CG2 4.46Å; D187-R222 WeakPolarHBondContact OD1-CG 3.23Å; D187-R222 IonicContact OD1-CZ 3.18Å; D187-R222 IonicContact OD1-NE 3.67Å; D187-R222 PolarHBondContact OD1-NE 3.1Å; D187-R222 IonicContact OD1-NH2 2.76Å; D187-R222 PolarHBondContact OD1-NH2 3.03Å; D187-R222 IonicContact OD2-CZ 3.97Å; D187-R222 IonicContact OD2-NE 3.95Å; D187-R222 IonicContact OD2-NH2 3.86Å; D187-R222 PolarHBondContact OD2-NH2 2.76Å
188	C	93.1	Very high	90.3	Very high	5 Å²	5	53.9 Å²	53.9	3%	0.034	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	122.6	172.5	-54.6	0	0	0	0	109.2	I166 F167 V220 L221	I166-C188 CarbonylContact O-C 3.58Å; I166-C188 VanDerWaalsContact O-CA 3.3Å; I166-C188 WeakPolarHBondContact O-CA 3.34Å; F167-C188 WeakPolarHBondContact CD1-SG 3.49Å; F167-C188 WeakPolarHBondContact CE1-SG 3.38Å; C188-V220 CarbonylContact O-C 3.57Å; C188-V220 WeakPolarHBondContact O-CA 3.36Å; C188-L221 HydrophobicContact CB-CB 4.17Å; C188-L221 HydrophobicContact CB-CD2 4.22Å; C188-L221 PolarHBondContact N-O 3.46Å; C188-L221 PolarHBondContact O-N 2.84Å
189	I	95.1	Very high	90.6	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.005	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	123.6	170.9	-54.7	168.8	0	0	0	108.5	F149 I151 I166 I168 F191 V192 V197 L218 V220	F149-I189 HydrophobicContact CE2-CD1 3.96Å; F149-I189 HydrophobicContact CZ-CD1 4.43Å; I151-I189 HydrophobicContact CG2-CD1 3.64Å; I166-I189 HydrophobicContact CG2-CD1 4.24Å; I166-I189 PolarHBondContact O-N 3.02Å; I168-I189 HydrophobicContact CD1-CD1 3.53Å; I168-I189 HydrophobicContact CD1-CG1 3.76Å; I168-I189 HydrophobicContact CG1-CG1 4.37Å; I189-F191 WeakPolarHBondContact CG2-O 3.17Å; I189-V192 HydrophobicContact CG2-CG2 3.8Å; I189-V197 HydrophobicContact CB-CG2 4.24Å; I189-V197 HydrophobicContact CG2-CG2 3.71Å; I189-V197 WeakPolarHBondContact O-CG2 3.31Å; I189-L218 HydrophobicContact CG2-CD2 4.29Å; I189-V220 HydrophobicContact CG1-CG1 4.25Å
190	L	94.4	Very high	90.9	Very high	21 Å²	21	52.5 Å²	52.5	11%	0.11	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	-41.2	175.1	-54.5	-178.4	0	0	0	111.4	Y135 V197 R198 Y219 L221	Y135-L190 HydrophobicContact CD1-CD1 3.8Å; Y135-L190 HydrophobicContact CE1-CD1 3.61Å; L190-V197 WeakPolarHBondContact O-CG2 3.34Å; L190-V197 PolarHBondContact O-N 3.22Å; L190-R198 HydrophobicContact CB-CG 4.1Å; L190-R198 HydrophobicContact CD2-CG 3.77Å; L190-Y219 PolarHBondContact N-O 3.32Å; L190-L221 HydrophobicContact CD1-CB 3.96Å; L190-L221 HydrophobicContact CD1-CD1 4.42Å; L190-L221 HydrophobicContact CD2-CB 4.28Å; L190-L221 HydrophobicContact CG-CB 4.15Å
191	F	95.6	Very high	90.9	Very high	59 Å²	59	51.5 Å²	51.5	26%	0.259	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	145.7	177.6	-59.5	-96.6	0	0	0	112	I189 V195 D196 L218 Y219	I189-F191 WeakPolarHBondContact CG2-O 3.17Å; F191-V195 CarbonylContact C-O 3.59Å; F191-V195 VanDerWaalsContact CA-O 3.29Å; F191-V195 WeakPolarHBondContact CA-O 3.39Å; F191-D196 HydrophobicContact CD1-CB 3.87Å; F191-D196 HydrophobicContact CE1-CB 3.54Å; F191-D196 HydrophobicContact CZ-CB 4.4Å; F191-L218 WeakPolarHBondContact O-CA 3.09Å; F191-Y219 HydrophobicContact CD2-CG 4.46Å; F191-Y219 PolarHBondContact N-O 3.43Å; F191-Y219 PolarHBondContact O-N 3.11Å
192	V	96.4	Very high	91	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.012	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	110	169.2	-177.4	0	0	0	0	107.9	I189 D194 V195 V197 A208 L209 A212 V216 L218	I189-V192 HydrophobicContact CG2-CG2 3.8Å; V192-D194 PolarHBondContact O-N 2.76Å; V192-D194 VanDerWaalsContact O-N 3.15Å; V192-V195 PolarHBondContact N-O 2.82Å; V192-V195 WeakPolarHBondContact O-CB 3.31Å; V192-V195 PolarHBondContact O-N 2.82Å; V192-V197 HydrophobicContact CG2-CG1 4.07Å; V192-V197 HydrophobicContact CG2-CG2 4.2Å; V192-A208 HydrophobicContact CB-CB 4.25Å; V192-L209 HydrophobicContact CB-CD2 4.41Å; V192-L209 HydrophobicContact CG1-CD2 3.73Å; V192-L209 HydrophobicContact CG1-CG 4.23Å; V192-L209 HydrophobicContact CG2-CD2 3.71Å; V192-L209 HydrophobicContact CG2-CG 3.96Å; V192-A212 HydrophobicContact CG1-CB 3.78Å; V192-V216 HydrophobicContact CG1-CG1 3.86Å; V192-L218 HydrophobicContact CB-CD2 4.36Å; V192-L218 HydrophobicContact CG1-CD2 4.18Å; V192-L218 HydrophobicContact CG2-CD2 3.93Å
193	N	94.6	Very high	91.2	Very high	39 Å²	39	50.2 Å²	50.2	21%	0.209	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	50	-114.6	-162.9	-68.5	-17.5	0	0	0	110.4	A212 V216 R217	N193-A212 WeakPolarHBondContact ND2-CA 3.3Å; N193-A212 WeakPolarHBondContact ND2-CB 3.46Å; N193-A212 PolarHBondContact ND2-O 3.21Å; N193-V216 WeakPolarHBondContact OD1-CA 3.48Å; N193-R217 PolarHBondContact N-O 3.29Å; N193-R217 PolarHBondContact OD1-N 2.82Å
194	D	91.7	Very high	91.4	Very high	138 Å²	138	54.6 Å²	54.6	74%	0.738	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.1	9.6	-179.6	-48.4	-56.8	0	0	0	111.8	V192 R217	V192-D194 PolarHBondContact O-N 2.76Å; V192-D194 VanDerWaalsContact O-N 3.15Å; D194-R217 IonicContact OD1-NH2 3.58Å; D194-R217 PolarHBondContact OD1-NH2 2.75Å; D194-R217 VanDerWaalsContact OD1-NH2 3.13Å; D194-R217 IonicContact OD2-NH2 2.9Å
195	V	93.8	Very high	91.7	Very high	74 Å²	74	52.5 Å²	52.5	45%	0.448	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	123.3	179.5	-175.4	0	0	0	0	110.5	F191 V192 V197 A208	F191-V195 CarbonylContact C-O 3.59Å; F191-V195 VanDerWaalsContact CA-O 3.29Å; F191-V195 WeakPolarHBondContact CA-O 3.39Å; V192-V195 PolarHBondContact N-O 2.82Å; V192-V195 WeakPolarHBondContact O-CB 3.31Å; V192-V195 PolarHBondContact O-N 2.82Å; V195-V197 HydrophobicContact CG1-CG1 4.38Å; V195-A208 HydrophobicContact CB-CB 4.21Å; V195-A208 HydrophobicContact CG1-CB 3.87Å
196	D	95.4	Very high	92.1	Very high	63 Å²	63	51.1 Å²	51.1	34%	0.337	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	128.1	174.2	-168.3	-16.6	0	0	0	110.9	F191 R198	F191-D196 HydrophobicContact CD1-CB 3.87Å; F191-D196 HydrophobicContact CE1-CB 3.54Å; F191-D196 HydrophobicContact CZ-CB 4.4Å; D196-R198 WeakPolarHBondContact OD1-CB 3.41Å; D196-R198 WeakPolarHBondContact OD1-CG 3.37Å; D196-R198 IonicContact OD1-CZ 3.77Å; D196-R198 PolarHBondContact OD1-N 3.15Å; D196-R198 VanDerWaalsContact OD1-N 3.11Å; D196-R198 IonicContact OD1-NE 3.27Å; D196-R198 PolarHBondContact OD1-NE 2.89Å; D196-R198 IonicContact OD1-NH2 3.81Å; D196-R198 IonicContact OD2-CZ 3.37Å; D196-R198 IonicContact OD2-NE 2.76Å; D196-R198 PolarHBondContact OD2-NE 2.92Å; D196-R198 IonicContact OD2-NH2 2.66Å; D196-R198 PolarHBondContact OD2-NH2 2.74Å
197	V	95.1	Very high	92.7	Very high	2 Å²	2	51.2 Å²	51.2	1%	0.012	26%	0.263	C	S	.	.			trans	-123	18.6	-176.7	-60.8	0	0	0	0	113.3	I166 I189 L190 V192 V195 V200 A205 A208	I166-V197 HydrophobicContact CG1-CB 4.44Å; I166-V197 WeakPolarHBondContact CG1-O 3.42Å; I189-V197 HydrophobicContact CB-CG2 4.24Å; I189-V197 HydrophobicContact CG2-CG2 3.71Å; I189-V197 WeakPolarHBondContact O-CG2 3.31Å; L190-V197 WeakPolarHBondContact O-CG2 3.34Å; L190-V197 PolarHBondContact O-N 3.22Å; V192-V197 HydrophobicContact CG2-CG1 4.07Å; V192-V197 HydrophobicContact CG2-CG2 4.2Å; V195-V197 HydrophobicContact CG1-CG1 4.38Å; V197-V200 HydrophobicContact CB-CG2 3.93Å; V197-V200 HydrophobicContact CG1-CG2 4.42Å; V197-V200 WeakPolarHBondContact O-CG2 3.49Å; V197-A205 HydrophobicContact CB-CB 4.39Å; V197-A205 HydrophobicContact CG1-CB 4.46Å; V197-A208 HydrophobicContact CG1-CB 3.99Å
198	R	90.6	Very high	93	Very high	107 Å²	107	51.6 Å²	51.6	40%	0.404	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-39.2	-176.8	-68.5	174.9	-71.4	176.4	1.2	114.2	L190 D196	L190-R198 HydrophobicContact CB-CG 4.1Å; L190-R198 HydrophobicContact CD2-CG 3.77Å; D196-R198 WeakPolarHBondContact OD1-CB 3.41Å; D196-R198 WeakPolarHBondContact OD1-CG 3.37Å; D196-R198 IonicContact OD1-CZ 3.77Å; D196-R198 PolarHBondContact OD1-N 3.15Å; D196-R198 VanDerWaalsContact OD1-N 3.11Å; D196-R198 IonicContact OD1-NE 3.27Å; D196-R198 PolarHBondContact OD1-NE 2.89Å; D196-R198 IonicContact OD1-NH2 3.81Å; D196-R198 IonicContact OD2-CZ 3.37Å; D196-R198 IonicContact OD2-NE 2.76Å; D196-R198 PolarHBondContact OD2-NE 2.92Å; D196-R198 IonicContact OD2-NH2 2.66Å; D196-R198 PolarHBondContact OD2-NH2 2.74Å
199	E	89.4	Confident	93	Very high	135 Å²	135	52.2 Å²	52.2	63%	0.631	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.1	53.6	-173.6	-65.8	-65.7	151.2	0	0	110.1	P164	P164-E199 WeakPolarHBondContact CG-OE1 3.4Å; P164-E199 WeakPolarHBondContact CG-OE2 3.36Å
200	V	91.1	Very high	92.8	Very high	23 Å²	23	59.3 Å²	59.3	14%	0.139	30%	0.299	C	S	.	.	S	Bend	trans	-122.5	161.1	-177.5	-56.1	0	0	0	0	110.4	G154 T155 V197 Q204 A205	G154-V200 CarbonylContact C-O 3.55Å; G154-V200 WeakPolarHBondContact CA-O 3.17Å; T155-V200 PolarHBondContact N-O 2.76Å; V197-V200 HydrophobicContact CB-CG2 3.93Å; V197-V200 HydrophobicContact CG1-CG2 4.42Å; V197-V200 WeakPolarHBondContact O-CG2 3.49Å; V200-Q204 HydrophobicContact CB-CB 3.91Å; V200-Q204 HydrophobicContact CG2-CB 4.23Å; V200-A205 HydrophobicContact CG2-CB 3.93Å
201	T	90.1	Very high	92.8	Very high	36 Å²	36	65.2 Å²	65.2	22%	0.221	33%	0.327	C	S	.	.			trans	-68.1	155.5	169.8	64.5	0	0	0	0	110.2	D156 S203 Q204 A205	D156-T201 HydrophobicContact CB-CG2 4.3Å; D156-T201 VanDerWaalsContact OD1-CA 3.3Å; D156-T201 WeakPolarHBondContact OD1-CA 3.17Å; T201-S203 PolarHBondContact O-N 2.89Å; T201-S203 VanDerWaalsContact O-N 3.15Å; T201-S203 PolarHBondContact OG1-OG 2.81Å; T201-Q204 WeakPolarHBondContact O-CB 3.33Å; T201-Q204 PolarHBondContact O-N 2.69Å; T201-Q204 VanDerWaalsContact OG1-CG 3.31Å; T201-Q204 WeakPolarHBondContact OG1-CG 3.47Å; T201-Q204 PolarHBondContact OG1-N 3.44Å; T201-Q204 PolarHBondContact OG1-OE1 3.37Å; T201-A205 PolarHBondContact O-N 2.9Å
202	H	88.3	Confident	92.5	Very high	51 Å²	51	63.1 Å²	63.1	24%	0.236	32%	0.32	C	S	.	.	H	α-helix	trans	-52.5	-41.3	177.7	-173.6	74.2	0	0	0	111.7	G153 D156 Q204 A205 V206	G153-H202 VanDerWaalsContact O-CB 3.3Å; G153-H202 WeakPolarHBondContact O-CB 3.16Å; G153-H202 PolarHBondContact O-ND1 2.84Å; D156-H202 PolarHBondContact OD1-N 3.38Å; H202-Q204 PolarHBondContact O-N 3.45Å; H202-A205 PolarHBondContact O-N 2.76Å; H202-V206 WeakPolarHBondContact O-CG2 3.45Å; H202-V206 PolarHBondContact O-N 3.35Å; H202-V206 VanDerWaalsContact O-N 3.12Å
203	S	91.4	Very high	92.1	Very high	73 Å²	73	64.7 Å²	64.7	51%	0.51	34%	0.337	S	S	.	.	H	α-helix	trans	-61.3	-41.2	177.7	53.1	0	0	0	0	113.5	T201 V206 E207	T201-S203 PolarHBondContact O-N 2.89Å; T201-S203 VanDerWaalsContact O-N 3.15Å; T201-S203 PolarHBondContact OG1-OG 2.81Å; S203-V206 PolarHBondContact O-N 2.94Å; S203-E207 PolarHBondContact O-N 3.45Å
204	Q	92.3	Very high	91.7	Very high	97 Å²	97	66 Å²	66	45%	0.453	35%	0.353	S	S	.	.	H	α-helix	trans	-67.7	-38.7	178.9	-73.8	173.1	-41.5	0	0	111.8	V200 T201 H202 V206 E207 A208	V200-Q204 HydrophobicContact CB-CB 3.91Å; V200-Q204 HydrophobicContact CG2-CB 4.23Å; T201-Q204 WeakPolarHBondContact O-CB 3.33Å; T201-Q204 PolarHBondContact O-N 2.69Å; T201-Q204 VanDerWaalsContact OG1-CG 3.31Å; T201-Q204 WeakPolarHBondContact OG1-CG 3.47Å; T201-Q204 PolarHBondContact OG1-N 3.44Å; T201-Q204 PolarHBondContact OG1-OE1 3.37Å; H202-Q204 PolarHBondContact O-N 3.45Å; Q204-V206 VanDerWaalsContact C-N 3.33Å; Q204-V206 PolarHBondContact O-N 3.36Å; Q204-E207 PolarHBondContact O-N 2.82Å; Q204-A208 PolarHBondContact O-N 3.02Å
205	A	92.6	Very high	91.7	Very high	1 Å²	1	64.3 Å²	64.3	1%	0.008	34%	0.343	C	S	.	.	H	α-helix	trans	-63.4	-39.6	173.8	0	0	0	0	0	112.1	I151 I166 V197 V200 T201 H202 L209	I151-A205 HydrophobicContact CD1-CB 4.03Å; I166-A205 HydrophobicContact CD1-CB 3.56Å; I166-A205 HydrophobicContact CG1-CB 3.67Å; I166-A205 HydrophobicContact CG2-CB 4.28Å; V197-A205 HydrophobicContact CB-CB 4.39Å; V197-A205 HydrophobicContact CG1-CB 4.46Å; V200-A205 HydrophobicContact CG2-CB 3.93Å; T201-A205 PolarHBondContact O-N 2.9Å; H202-A205 PolarHBondContact O-N 2.76Å; A205-L209 WeakPolarHBondContact O-CG 3.42Å; A205-L209 PolarHBondContact O-N 2.99Å; A205-L209 VanDerWaalsContact O-N 3.1Å
206	V	91.4	Very high	91.8	Very high	39 Å²	39	60.8 Å²	60.8	24%	0.236	32%	0.321	C	S	.	.	H	α-helix	trans	-65.8	-39.9	175.1	171.7	0	0	0	0	111.6	I151 H202 S203 Q204 L209 K210	I151-V206 HydrophobicContact CD1-CG2 3.96Å; I151-V206 HydrophobicContact CG1-CG2 4.45Å; H202-V206 WeakPolarHBondContact O-CG2 3.45Å; H202-V206 PolarHBondContact O-N 3.35Å; H202-V206 VanDerWaalsContact O-N 3.12Å; S203-V206 PolarHBondContact O-N 2.94Å; Q204-V206 VanDerWaalsContact C-N 3.33Å; Q204-V206 PolarHBondContact O-N 3.36Å; V206-L209 PolarHBondContact O-N 2.63Å; V206-K210 HydrophobicContact CG1-CD 4.1Å; V206-K210 WeakPolarHBondContact O-CG 3.13Å; V206-K210 PolarHBondContact O-N 3.12Å
207	E	94.5	Very high	91.8	Very high	109 Å²	109	62.5 Å²	62.5	51%	0.509	32%	0.323	S	S	.	.	H	α-helix	trans	-63.4	-48.1	176.4	-170.8	167	-144.9	0	0	111.1	S203 Q204 L209 K210 E211	S203-E207 PolarHBondContact O-N 3.45Å; Q204-E207 PolarHBondContact O-N 2.82Å; E207-L209 VanDerWaalsContact C-N 3.28Å; E207-L209 PolarHBondContact O-N 3.01Å; E207-K210 WeakPolarHBondContact O-CA 3.24Å; E207-K210 WeakPolarHBondContact O-CB 3.44Å; E207-K210 PolarHBondContact O-N 3.28Å; E207-E211 HydrophobicContact CG-CG 4.32Å; E207-E211 WeakPolarHBondContact O-CG 3.43Å; E207-E211 PolarHBondContact O-N 3.48Å
208	A	95.1	Very high	91.9	Very high	9 Å²	9	62.4 Å²	62.4	7%	0.074	32%	0.322	C	S	.	.	H	α-helix	trans	-54.4	-43.8	174.5	0	0	0	0	0	112.1	V192 V195 V197 Q204 K210 A212	V192-A208 HydrophobicContact CB-CB 4.25Å; V195-A208 HydrophobicContact CB-CB 4.21Å; V195-A208 HydrophobicContact CG1-CB 3.87Å; V197-A208 HydrophobicContact CG1-CB 3.99Å; Q204-A208 PolarHBondContact O-N 3.02Å; A208-K210 VanDerWaalsContact C-N 3.34Å; A208-K210 PolarHBondContact O-N 3.35Å; A208-A212 VanDerWaalsContact O-CB 3.31Å; A208-A212 WeakPolarHBondContact O-CB 3.32Å; A208-A212 PolarHBondContact O-N 3.16Å
209	L	94.7	Very high	92.1	Very high	17 Å²	17	62.1 Å²	62.1	9%	0.089	32%	0.322	C	S	.	.	H	α-helix	trans	-67.7	-28.3	175.6	-74.2	168.1	0	0	0	113.9	R142 L147 F149 I151 V192 A205 V206 E207 V216 L218	R142-L209 PolarHBondContact NH2-O 3.11Å; L147-L209 HydrophobicContact CD1-CD2 3.92Å; F149-L209 HydrophobicContact CE2-CD1 4.21Å; F149-L209 HydrophobicContact CE2-CD2 4.36Å; F149-L209 HydrophobicContact CZ-CD2 3.89Å; I151-L209 HydrophobicContact CD1-CD1 3.64Å; I151-L209 HydrophobicContact CG1-CD1 4.27Å; I151-L209 HydrophobicContact CG2-CD1 4.09Å; V192-L209 HydrophobicContact CB-CD2 4.41Å; V192-L209 HydrophobicContact CG1-CD2 3.73Å; V192-L209 HydrophobicContact CG1-CG 4.23Å; V192-L209 HydrophobicContact CG2-CD2 3.71Å; V192-L209 HydrophobicContact CG2-CG 3.96Å; A205-L209 WeakPolarHBondContact O-CG 3.42Å; A205-L209 PolarHBondContact O-N 2.99Å; A205-L209 VanDerWaalsContact O-N 3.1Å; V206-L209 PolarHBondContact O-N 2.63Å; E207-L209 VanDerWaalsContact C-N 3.28Å; E207-L209 PolarHBondContact O-N 3.01Å; L209-V216 HydrophobicContact CD2-CG1 4.47Å; L209-L218 HydrophobicContact CD2-CD2 3.86Å
210	K	90.6	Very high	92.3	Very high	150 Å²	150	55.9 Å²	55.9	65%	0.652	29%	0.293	S	S	*	.	H	α-helix	trans	-78.5	-40.2	176.4	-76.2	172.4	179	173.9	0	111.6	V206 E207 A208	V206-K210 HydrophobicContact CG1-CD 4.1Å; V206-K210 WeakPolarHBondContact O-CG 3.13Å; V206-K210 PolarHBondContact O-N 3.12Å; E207-K210 WeakPolarHBondContact O-CA 3.24Å; E207-K210 WeakPolarHBondContact O-CB 3.44Å; E207-K210 PolarHBondContact O-N 3.28Å; A208-K210 VanDerWaalsContact C-N 3.34Å; A208-K210 PolarHBondContact O-N 3.35Å
211	E	93	Very high	92.1	Very high	146 Å²	146	55.8 Å²	55.8	68%	0.682	29%	0.292	S	S	*	.	H	α-helix	trans	-79.7	-18.5	-177.3	-66.2	-168.4	154.8	0	0	113.7	E207 G213	E207-E211 HydrophobicContact CG-CG 4.32Å; E207-E211 WeakPolarHBondContact O-CG 3.43Å; E207-E211 PolarHBondContact O-N 3.48Å; E211-G213 PolarHBondContact O-N 2.76Å
212	A	89.3	Confident	91.8	Very high	14 Å²	14	57.1 Å²	57.1	12%	0.116	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-10.5	179.1	0	0	0	0	0	115.3	V192 N193 A208 I215 V216	V192-A212 HydrophobicContact CG1-CB 3.78Å; N193-A212 WeakPolarHBondContact ND2-CA 3.3Å; N193-A212 WeakPolarHBondContact ND2-CB 3.46Å; N193-A212 PolarHBondContact ND2-O 3.21Å; A208-A212 VanDerWaalsContact O-CB 3.31Å; A208-A212 WeakPolarHBondContact O-CB 3.32Å; A208-A212 PolarHBondContact O-N 3.16Å; A212-I215 VanDerWaalsContact O-O 3.11Å; A212-V216 HydrophobicContact CB-CB 4.22Å; A212-V216 HydrophobicContact CB-CG1 3.83Å; A212-V216 HydrophobicContact CB-CG2 3.58Å
213	G	88.1	Confident	90.7	Very high	35 Å²	35	62.1 Å²	62.1	36%	0.361	31%	0.309	S	S	.	.			trans	81	-155.5	173.2	0	0	0	0	0	113.7	R142 E211	R142-G213 PolarHBondContact NE-O 2.8Å; R142-G213 PolarHBondContact NH2-O 3.42Å; R142-G213 VanDerWaalsContact NH2-O 3.15Å; E211-G213 PolarHBondContact O-N 2.76Å
214	A	86.8	Confident	88.8	Confident	66 Å²	66	63.2 Å²	63.2	55%	0.545	31%	0.305	S	S	.	.	S	Bend	trans	-77.6	-29	-175.6	0	0	0	0	0	113.2	E141 R142	E141-A214 CarbonylContact C-O 2.92Å; E141-A214 WeakPolarHBondContact CA-O 3.49Å; R142-A214 WeakPolarHBondContact CB-O 3.27Å; R142-A214 PolarHBondContact N-O 3.35Å
215	I	91.8	Very high	86.6	Confident	103 Å²	103	64.6 Å²	64.6	53%	0.528	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	121.2	175.9	-58.9	175.5	0	0	0	107.2	T139 A212	T139-I215 HydrophobicContact CG2-CG2 3.47Å; T139-I215 VanDerWaalsContact CG2-CG2 3.47Å; A212-I215 VanDerWaalsContact O-O 3.11Å
216	V	95.8	Very high	84.4	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	117.4	-174.9	-176.8	0	0	0	0	109	T139 L140 L147 V192 N193 L209 A212 L218	T139-V216 WeakPolarHBondContact CA-O 3.38Å; L140-V216 PolarHBondContact N-O 3.33Å; L140-V216 PolarHBondContact O-N 2.84Å; L147-V216 HydrophobicContact CD1-CB 4.11Å; L147-V216 HydrophobicContact CD1-CG1 3.98Å; L147-V216 HydrophobicContact CD1-CG2 4Å; L147-V216 HydrophobicContact CD2-CB 3.79Å; L147-V216 HydrophobicContact CD2-CG2 3.65Å; L147-V216 HydrophobicContact CG-CG2 4.35Å; V192-V216 HydrophobicContact CG1-CG1 3.86Å; N193-V216 WeakPolarHBondContact OD1-CA 3.48Å; L209-V216 HydrophobicContact CD2-CG1 4.47Å; A212-V216 HydrophobicContact CB-CB 4.22Å; A212-V216 HydrophobicContact CB-CG1 3.83Å; A212-V216 HydrophobicContact CB-CG2 3.58Å; V216-L218 HydrophobicContact CG1-CD2 3.76Å; V216-L218 HydrophobicContact CG1-CG 4.23Å
217	R	95.8	Very high	82.5	Confident	99 Å²	99	71 Å²	71	37%	0.374	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	122.3	174.1	-60.5	-178.6	-70.6	162.9	6.1	108.4	I138 T139 N193 D194	I138-R217 CarbonylContact O-C 3.45Å; T139-R217 HydrophobicContact CG2-CG 4.06Å; N193-R217 PolarHBondContact N-O 3.29Å; N193-R217 PolarHBondContact OD1-N 2.82Å; D194-R217 IonicContact OD1-NH2 3.58Å; D194-R217 PolarHBondContact OD1-NH2 2.75Å; D194-R217 VanDerWaalsContact OD1-NH2 3.13Å; D194-R217 IonicContact OD2-NH2 2.9Å
218	L	97.1	Very high	80.9	Confident	0 Å²	0	71.6 Å²	71.6	0%	0	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	128.4	178.1	-58.3	175.8	0	0	0	108.6	E137 I138 L140 F149 L183 I189 F191 V192 L209 V216 V220	E137-L218 CarbonylContact C-O 3.41Å; E137-L218 WeakPolarHBondContact CA-O 3.41Å; I138-L218 PolarHBondContact N-O 3.01Å; I138-L218 PolarHBondContact O-N 3Å; L140-L218 HydrophobicContact CD1-CD1 4.04Å; F149-L218 HydrophobicContact CE1-CD1 3.67Å; F149-L218 HydrophobicContact CZ-CD1 3.58Å; L183-L218 HydrophobicContact CD1-CD1 4.48Å; L183-L218 HydrophobicContact CD2-CD1 4.32Å; I189-L218 HydrophobicContact CG2-CD2 4.29Å; F191-L218 WeakPolarHBondContact O-CA 3.09Å; V192-L218 HydrophobicContact CB-CD2 4.36Å; V192-L218 HydrophobicContact CG1-CD2 4.18Å; V192-L218 HydrophobicContact CG2-CD2 3.93Å; L209-L218 HydrophobicContact CD2-CD2 3.86Å; V216-L218 HydrophobicContact CG1-CD2 3.76Å; V216-L218 HydrophobicContact CG1-CG 4.23Å; L218-V220 HydrophobicContact CB-CG1 4.06Å
219	Y	94.4	Very high	79.5	Confident	102 Å²	102	79.1 Å²	79.1	40%	0.4	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	117.8	161.9	-92.8	-103.1	0	0	0	108.1	E137 L190 F191	E137-Y219 HydrophobicContact CB-CD2 4.39Å; E137-Y219 HydrophobicContact CB-CE1 4.31Å; E137-Y219 HydrophobicContact CB-CE2 3.98Å; E137-Y219 HydrophobicContact CG-CD2 3.98Å; E137-Y219 HydrophobicContact CG-CE2 3.52Å; E137-Y219 WeakPolarHBondContact OE2-CE2 3.38Å; E137-Y219 PolarHBondContact OE2-OH 2.79Å; L190-Y219 PolarHBondContact N-O 3.32Å; F191-Y219 HydrophobicContact CD2-CG 4.46Å; F191-Y219 PolarHBondContact N-O 3.43Å; F191-Y219 PolarHBondContact O-N 3.11Å
220	V	93.4	Very high	79	Confident	3 Å²	3	81.2 Å²	81.2	2%	0.018	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	150.5	-177.6	-57.4	0	0	0	0	112.4	Y135 E136 I138 L183 D187 C188 I189 L218	Y135-V220 WeakPolarHBondContact CA-O 3.48Å; E136-V220 HydrophobicContact CB-CG2 4.06Å; E136-V220 PolarHBondContact N-O 3.11Å; E136-V220 WeakPolarHBondContact O-CG2 3.29Å; E136-V220 PolarHBondContact O-N 2.64Å; I138-V220 HydrophobicContact CD1-CG2 3.85Å; I138-V220 HydrophobicContact CG1-CG2 4.42Å; L183-V220 HydrophobicContact CD1-CG1 3.77Å; L183-V220 HydrophobicContact CD1-CG2 4.41Å; D187-V220 HydrophobicContact CB-CB 4.18Å; D187-V220 HydrophobicContact CB-CG2 4.46Å; C188-V220 CarbonylContact O-C 3.57Å; C188-V220 WeakPolarHBondContact O-CA 3.36Å; I189-V220 HydrophobicContact CG1-CG1 4.25Å; L218-V220 HydrophobicContact CB-CG1 4.06Å
221	L	87.8	Confident	78.7	Confident	21 Å²	21	76.9 Å²	76.9	11%	0.11	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	126.9	175.4	172.8	153.8	0	0	0	109.1	I133 E134 Y135 C188 L190 R223	I133-L221 HydrophobicContact CG2-CD1 3.39Å; I133-L221 HydrophobicContact CG2-CD2 4.07Å; I133-L221 HydrophobicContact CG2-CG 3.48Å; I133-L221 VanDerWaalsContact CG2-CG 3.48Å; E134-L221 WeakPolarHBondContact O-CA 3.42Å; Y135-L221 HydrophobicContact CD1-CB 4.3Å; Y135-L221 HydrophobicContact CD1-CD1 4.4Å; Y135-L221 HydrophobicContact CE1-CB 4.31Å; Y135-L221 HydrophobicContact CE1-CD1 3.65Å; Y135-L221 HydrophobicContact CE1-CG 4.35Å; C188-L221 HydrophobicContact CB-CB 4.17Å; C188-L221 HydrophobicContact CB-CD2 4.22Å; C188-L221 PolarHBondContact N-O 3.46Å; C188-L221 PolarHBondContact O-N 2.84Å; L190-L221 HydrophobicContact CD1-CB 3.96Å; L190-L221 HydrophobicContact CD1-CD1 4.42Å; L190-L221 HydrophobicContact CD2-CB 4.28Å; L190-L221 HydrophobicContact CG-CB 4.15Å; L221-R223 HydrophobicContact CD2-CG 4.29Å
222	R	83.7	Confident	78.7	Confident	64 Å²	64	76.1 Å²	76.1	24%	0.242	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	133.8	177.7	-173.8	178.2	-67.4	151.7	6.6	110.2	E134 R182 S184 D187	E134-R222 PolarHBondContact N-O 3.4Å; E134-R222 PolarHBondContact O-N 2.9Å; R182-R222 PolarHBondContact O-NH2 3.38Å; S184-R222 VanDerWaalsContact CB-NH2 3.28Å; S184-R222 PolarHBondContact OG-NH2 2.74Å; D187-R222 WeakPolarHBondContact OD1-CG 3.23Å; D187-R222 IonicContact OD1-CZ 3.18Å; D187-R222 IonicContact OD1-NE 3.67Å; D187-R222 PolarHBondContact OD1-NE 3.1Å; D187-R222 IonicContact OD1-NH2 2.76Å; D187-R222 PolarHBondContact OD1-NH2 3.03Å; D187-R222 IonicContact OD2-CZ 3.97Å; D187-R222 IonicContact OD2-NE 3.95Å; D187-R222 IonicContact OD2-NH2 3.86Å; D187-R222 PolarHBondContact OD2-NH2 2.76Å
223	R	66.1	Low	78.9	Confident	156 Å²	156	75.4 Å²	75.4	59%	0.589	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.3	118.5	170.1	-65.1	-175.3	-177.5	167.6	7.3	109.1	D163 L221	D163-R223 IonicContact OD2-NH2 3.13Å; L221-R223 HydrophobicContact CD2-CG 4.29Å
224	K	50.7	Low	79.2	Confident	97 Å²	97	78.4 Å²	78.4	42%	0.422	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-67.1	129.4	174.8	-78.4	-178.4	-173.7	164.3	0	110.8	E132 E134 A226	E132-K224 HydrophobicContact CB-CD 4.38Å; E132-K224 PolarHBondContact O-N 2.95Å; E132-K224 IonicContact OE2-NZ 3.73Å; E132-K224 PolarHBondContact OE2-NZ 3.35Å; E134-K224 VanDerWaalsContact OE2-CE 3.31Å; E134-K224 WeakPolarHBondContact OE2-CE 3.18Å; E134-K224 IonicContact OE2-NZ 3.21Å; K224-A226 PolarHBondContact O-N 2.66Å
225	P	45.9	Very low	79.4	Confident	125 Å²	125	75.4 Å²	75.4	81%	0.812	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-66.2	132.3	168.9	25	-29.2	0	0	0	109.7	A227	P225-A227 PolarHBondContact O-N 2.96Å
226	A	47.3	Very low	79.4	Confident	79 Å²	79	75.3 Å²	75.3	65%	0.653	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-66.1	130.3	177.3	0	0	0	0	0	110.1	K224 E228	K224-A226 PolarHBondContact O-N 2.66Å; A226-E228 PolarHBondContact O-N 3.02Å
227	A	49.9	Very low	79.1	Confident	97 Å²	97	77.6 Å²	77.6	80%	0.802	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-55.1	127.8	179.6	0	0	0	0	0	111.7	P225 K229	P225-A227 PolarHBondContact O-N 2.96Å; A227-K229 PolarHBondContact O-N 3.44Å
228	E	62	Low	78.5	Confident	121 Å²	121	74.2 Å²	74.2	57%	0.565	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-59.6	131.5	176.8	-67	-176.6	173.7	0	0	110.7	A226 V230	A226-E228 PolarHBondContact O-N 3.02Å; E228-V230 PolarHBondContact O-N 3.12Å; E228-V230 VanDerWaalsContact O-N 3.11Å
229	K	66	Low	77.5	Confident	167 Å²	167	81.3 Å²	81.3	73%	0.726	43%	0.433	S	S	*	.			trans	-76.7	102	177.7	-75.4	-177.1	-179.4	174.6	0	110.1	A227 K317	A227-K229 PolarHBondContact O-N 3.44Å; K229-K317 PolarHBondContact O-N 3.34Å
230	V	82.9	Confident	76.7	Confident	61 Å²	61	85.9 Å²	85.9	37%	0.37	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	130.2	174.1	-176.1	0	0	0	0	110.5	E228 L285 R314 V315	E228-V230 PolarHBondContact O-N 3.12Å; E228-V230 VanDerWaalsContact O-N 3.11Å; V230-L285 HydrophobicContact CG1-CD1 3.89Å; V230-L285 HydrophobicContact CG2-CD1 3.84Å; V230-R314 HydrophobicContact CG1-CG 3.45Å; V230-R314 VanDerWaalsContact CG1-CG 3.45Å; V230-V315 WeakPolarHBondContact CA-O 3.48Å
231	T	85.9	Confident	76.4	Confident	58 Å²	58	87 Å²	87	36%	0.356	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	142.7	178.9	-52	0	0	0	0	110.2	I233 V315	T231-I233 HydrophobicContact CG2-CG1 4.43Å; T231-V315 PolarHBondContact N-O 3.41Å; T231-V315 PolarHBondContact O-N 3.44Å
232	E	91.4	Very high	76.6	Confident	130 Å²	130	86.8 Å²	86.8	61%	0.607	47%	0.466	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.9	127.7	170.8	-168.4	177.3	-101.6	0	0	110.7	L313	E232-L313 CarbonylContact C-O 3.13Å; E232-L313 WeakPolarHBondContact CA-O 3.48Å
233	I	93.8	Very high	76.9	Confident	0 Å²	0	84 Å²	84	0%	0	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	117.2	-177.5	-55.4	178.9	0	0	0	108.9	T231 L235 R277 L278 Y312 L313 V315	T231-I233 HydrophobicContact CG2-CG1 4.43Å; I233-L235 HydrophobicContact CG2-CD2 3.88Å; I233-L235 HydrophobicContact CG2-CG 3.97Å; I233-R277 HydrophobicContact CD1-CB 3.96Å; I233-R277 HydrophobicContact CG1-CB 4.31Å; I233-R277 HydrophobicContact CG2-CB 4.44Å; I233-L278 HydrophobicContact CD1-CB 4.16Å; I233-L278 HydrophobicContact CD1-CD1 3.98Å; I233-Y312 CarbonylContact O-C 3.36Å; I233-Y312 WeakPolarHBondContact O-CA 3.4Å; I233-L313 HydrophobicContact CB-CB 4.44Å; I233-L313 PolarHBondContact N-O 3.16Å; I233-L313 PolarHBondContact O-N 3.43Å; I233-V315 HydrophobicContact CD1-CB 4.36Å; I233-V315 HydrophobicContact CD1-CG2 4.09Å
234	K	93.9	Very high	78.3	Confident	98 Å²	98	77.9 Å²	77.9	43%	0.426	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	114.1	171.9	-177.6	-175	-177.7	172.7	0	109.8	R277 V310 V311 Y312	K234-R277 PolarHBondContact O-NH2 2.92Å; K234-V310 HydrophobicContact CD-CG1 4.25Å; K234-V310 HydrophobicContact CG-CG1 3.92Å; K234-V311 CarbonylContact C-O 3.47Å; K234-V311 WeakPolarHBondContact CA-O 3.32Å; K234-Y312 HydrophobicContact CB-CD1 3.92Å; K234-Y312 HydrophobicContact CB-CE1 3.85Å; K234-Y312 HydrophobicContact CD-CE1 3.64Å; K234-Y312 WeakPolarHBondContact CE-OH 3.47Å; K234-Y312 HydrophobicContact CG-CD1 4.05Å; K234-Y312 HydrophobicContact CG-CE1 3.63Å; K234-Y312 PolarHBondContact NZ-OH 2.98Å
235	L	92.9	Very high	80.2	Confident	2 Å²	2	75.5 Å²	75.5	1%	0.01	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	147.3	174.5	-63.8	179.6	0	0	0	111.1	I233 L242 F244 A272 D275 V311 L313	I233-L235 HydrophobicContact CG2-CD2 3.88Å; I233-L235 HydrophobicContact CG2-CG 3.97Å; L235-L242 HydrophobicContact CB-CD2 3.99Å; L235-L242 HydrophobicContact CD1-CD2 4.32Å; L235-F244 HydrophobicContact CD1-CD1 4.47Å; L235-F244 HydrophobicContact CD1-CE1 3.94Å; L235-A272 HydrophobicContact CD1-CB 4.13Å; L235-D275 HydrophobicContact CD2-CB 3.46Å; L235-D275 VanDerWaalsContact CD2-CB 3.46Å; L235-V311 PolarHBondContact N-O 3.03Å; L235-V311 PolarHBondContact O-N 2.73Å; L235-L313 HydrophobicContact CD1-CD1 3.72Å
236	I	90.7	Very high	82.6	Confident	101 Å²	101	70.8 Å²	70.8	52%	0.518	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	124.1	171	-56.1	178.4	0	0	0	107.4	G238 A271 E309 V310	I236-G238 PolarHBondContact O-N 3.18Å; I236-A271 WeakPolarHBondContact O-CB 3.37Å; I236-E309 CarbonylContact C-O 3.55Å; I236-E309 WeakPolarHBondContact CA-O 3.34Å; I236-E309 HydrophobicContact CG2-CG 4.03Å; I236-V310 HydrophobicContact CG1-CG2 4.48Å
237	K	89.1	Confident	84.3	Confident	48 Å²	48	68 Å²	68	21%	0.209	38%	0.376	C	S	.	.			trans	-59.5	126.1	-178.9	-74.2	-173.4	178.3	-178.3	0	110.3	L242 K305 T307 A308 E309 V311	K237-L242 HydrophobicContact CG-CD2 3.74Å; K237-L242 HydrophobicContact CG-CG 4.1Å; K237-K305 PolarHBondContact NZ-O 3.48Å; K237-K305 VanDerWaalsContact NZ-O 3.09Å; K237-T307 WeakPolarHBondContact CE-OG1 3.43Å; K237-T307 PolarHBondContact NZ-O 2.85Å; K237-T307 PolarHBondContact NZ-OG1 3.32Å; K237-A308 WeakPolarHBondContact CD-O 3.43Å; K237-A308 WeakPolarHBondContact CE-O 3.3Å; K237-E309 PolarHBondContact N-O 2.76Å; K237-V311 HydrophobicContact CG-CG2 4.3Å
238	G	83.5	Confident	86.1	Confident	29 Å²	29	63.4 Å²	63.4	30%	0.299	34%	0.338	S	S	.	.	B	Isolated β-bridge	trans	-82	-178.6	170.2	0	0	0	0	0	112	I236 K240 G241	I236-G238 PolarHBondContact O-N 3.18Å; G238-K240 PolarHBondContact O-N 3.25Å; G238-G241 PolarHBondContact N-O 3Å; G238-G241 PolarHBondContact O-N 3.48Å
239	P	76.6	Confident	87.1	Confident	148 Å²	148	57.7 Å²	57.7	96%	0.961	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-17.3	178	23.1	-33.1	0	0	0	113.9
240	K	76.8	Confident	87.5	Confident	199 Å²	199	51.6 Å²	51.6	87%	0.865	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.5	21.1	174.8	-60.8	-174.6	179.3	-179.3	0	112.9	G238	G238-K240 PolarHBondContact O-N 3.25Å
241	G	88.1	Confident	86.8	Confident	26 Å²	26	52.5 Å²	52.5	27%	0.268	31%	0.31	S	S	.	.	B	Isolated β-bridge	trans	84.3	-147.4	-179	0	0	0	0	0	114.1	G238	G238-G241 PolarHBondContact N-O 3Å; G238-G241 PolarHBondContact O-N 3.48Å
242	L	91	Very high	86.3	Confident	17 Å²	17	53.9 Å²	53.9	9%	0.089	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-17.8	-172.8	-67.6	171	0	0	0	114.3	L235 K237 F244 A272 L304 V311	L235-L242 HydrophobicContact CB-CD2 3.99Å; L235-L242 HydrophobicContact CD1-CD2 4.32Å; K237-L242 HydrophobicContact CG-CD2 3.74Å; K237-L242 HydrophobicContact CG-CG 4.1Å; L242-F244 HydrophobicContact CB-CD1 3.86Å; L242-F244 HydrophobicContact CB-CE1 3.54Å; L242-F244 HydrophobicContact CB-CZ 4.41Å; L242-F244 HydrophobicContact CD1-CE1 4.05Å; L242-F244 HydrophobicContact CD1-CZ 4.24Å; L242-F244 HydrophobicContact CG-CE1 4.34Å; L242-A272 WeakPolarHBondContact O-CB 3.34Å; L242-A272 PolarHBondContact O-N 3.31Å; L242-L304 HydrophobicContact CD1-CD2 3.91Å; L242-V311 HydrophobicContact CD1-CG1 4.39Å; L242-V311 HydrophobicContact CD1-CG2 4.38Å; L242-V311 HydrophobicContact CD2-CB 3.98Å; L242-V311 HydrophobicContact CD2-CG2 3.76Å
243	G	91.4	Very high	85.4	Confident	6 Å²	6	51.7 Å²	51.7	6%	0.062	30%	0.304	C	S	.	.			trans	77.7	30.4	171.8	0	0	0	0	0	115.4	I267	G243-I267 WeakPolarHBondContact O-CB 3.46Å; G243-I267 PolarHBondContact O-N 2.8Å
244	F	94.4	Very high	84.5	Confident	26 Å²	26	56.3 Å²	56.3	11%	0.114	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	161.7	170.9	64.7	-89.6	0	0	0	111.4	L235 L242 I246 V263 K265 I266 A272 L278 I284 L304 L313	L235-F244 HydrophobicContact CD1-CD1 4.47Å; L235-F244 HydrophobicContact CD1-CE1 3.94Å; L242-F244 HydrophobicContact CB-CD1 3.86Å; L242-F244 HydrophobicContact CB-CE1 3.54Å; L242-F244 HydrophobicContact CB-CZ 4.41Å; L242-F244 HydrophobicContact CD1-CE1 4.05Å; L242-F244 HydrophobicContact CD1-CZ 4.24Å; L242-F244 HydrophobicContact CG-CE1 4.34Å; F244-I246 HydrophobicContact CD2-CG2 3.83Å; F244-I246 HydrophobicContact CE2-CG2 3.58Å; F244-V263 HydrophobicContact CB-CG1 4.28Å; F244-V263 HydrophobicContact CD2-CG1 4.39Å; F244-V263 HydrophobicContact CD2-CG2 4.27Å; F244-K265 CarbonylContact C-O 3.44Å; F244-K265 WeakPolarHBondContact CA-O 3.35Å; F244-K265 VanDerWaalsContact CB-O 3.27Å; F244-K265 WeakPolarHBondContact CB-O 3.27Å; F244-I266 HydrophobicContact CB-CD1 3.71Å; F244-A272 HydrophobicContact CB-CB 4.26Å; F244-A272 HydrophobicContact CD1-CB 3.73Å; F244-A272 HydrophobicContact CG-CB 4.43Å; F244-L278 HydrophobicContact CB-CD2 4.17Å; F244-L278 HydrophobicContact CD1-CD2 3.5Å; F244-L278 HydrophobicContact CD2-CD2 4.01Å; F244-L278 HydrophobicContact CE1-CD2 3.71Å; F244-L278 HydrophobicContact CE2-CD2 4.23Å; F244-L278 HydrophobicContact CG-CD2 3.64Å; F244-L278 HydrophobicContact CZ-CD2 4.08Å; F244-I284 HydrophobicContact CE2-CD1 3.62Å; F244-I284 HydrophobicContact CZ-CD1 4.15Å; F244-L304 HydrophobicContact CE2-CD1 4.26Å; F244-L304 HydrophobicContact CE2-CD2 4.34Å; F244-L304 HydrophobicContact CZ-CD2 3.83Å; F244-L313 HydrophobicContact CE1-CD1 3.89Å; F244-L313 HydrophobicContact CZ-CD1 3.75Å
245	S	91.8	Very high	83.6	Confident	47 Å²	47	55.2 Å²	55.2	33%	0.329	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	148.5	174.9	-58.2	0	0	0	0	110.2	V263 T264 K265	S245-V263 WeakPolarHBondContact O-CA 3.46Å; S245-T264 PolarHBondContact O-N 2.94Å; S245-T264 PolarHBondContact O-OG1 3.29Å; S245-K265 PolarHBondContact N-O 2.72Å
246	I	94.3	Very high	81.5	Confident	26 Å²	26	60.9 Å²	60.9	13%	0.133	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	155.7	176.6	59.9	156.9	0	0	0	111.3	F244 I261 Y262 I284 A300 V301 L304	F244-I246 HydrophobicContact CD2-CG2 3.83Å; F244-I246 HydrophobicContact CE2-CG2 3.58Å; I246-I261 HydrophobicContact CB-CG2 3.9Å; I246-I261 HydrophobicContact CD1-CG2 3.68Å; I246-I261 HydrophobicContact CG1-CG2 4.4Å; I246-I261 HydrophobicContact CG2-CG2 4.1Å; I246-Y262 CarbonylContact C-O 3.57Å; I246-Y262 WeakPolarHBondContact CA-O 3.46Å; I246-I284 HydrophobicContact CG2-CD1 3.72Å; I246-A300 HydrophobicContact CD1-CB 3.99Å; I246-V301 HydrophobicContact CD1-CG2 4.03Å; I246-V301 HydrophobicContact CG1-CG2 4.47Å; I246-L304 HydrophobicContact CD1-CD1 3.54Å; I246-L304 HydrophobicContact CG1-CD1 4.07Å; I246-L304 HydrophobicContact CG2-CD1 3.88Å
247	A	84.2	Confident	80.1	Confident	22 Å²	22	59.4 Å²	59.4	18%	0.182	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	164.8	164.9	0	0	0	0	0	109.3	H254 Y262 T264	A247-H254 HydrophobicContact CB-CB 3.87Å; A247-Y262 PolarHBondContact N-O 2.75Å; A247-Y262 PolarHBondContact O-N 2.67Å; A247-T264 HydrophobicContact CB-CG2 3.37Å
248	G	86.7	Confident	79.5	Confident	0 Å²	0	59 Å²	59	0%	0	37%	0.37	C	S	.	.			trans	103.9	174.4	-177	0	0	0	0	0	112.7	N252 S260 I261 H297	G248-N252 CarbonylContact C-O 3.55Å; G248-N252 WeakPolarHBondContact CA-O 3.24Å; G248-N252 PolarHBondContact N-O 3.47Å; G248-S260 WeakPolarHBondContact CA-O 3.44Å; G248-I261 VanDerWaalsContact O-CD1 3.26Å; G248-I261 WeakPolarHBondContact O-CD1 3.27Å; G248-H297 WeakPolarHBondContact O-CB 3.41Å; G248-H297 PolarHBondContact O-ND1 3.02Å
249	G	83.6	Confident	79.2	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	37%	0.366	C	S	.	.			trans	120.1	158.4	-172.9	0	0	0	0	0	111.4	G251 N252 Q253 N259 V295	G249-G251 PolarHBondContact O-N 3.42Å; G249-N252 PolarHBondContact N-O 3.45Å; G249-N252 CarbonylContact O-C 3.56Å; G249-N252 PolarHBondContact O-N 3.15Å; G249-Q253 PolarHBondContact O-N 2.95Å; G249-N259 VanDerWaalsContact CA-O 3.31Å; G249-N259 WeakPolarHBondContact CA-O 3.46Å; G249-N259 PolarHBondContact N-O 3.27Å; G249-V295 CarbonylContact C-O 3.56Å; G249-V295 WeakPolarHBondContact CA-O 3.39Å
250	V	74.4	Confident	79.8	Confident	39 Å²	39	52.9 Å²	52.9	24%	0.236	32%	0.324	C	S	.	.	B	Isolated β-bridge	trans	-59.7	131.8	176.9	-176.9	0	0	0	0	109.1	N252 N259 D294 V295 M296	V250-N252 PolarHBondContact O-N 3.16Å; V250-N259 HydrophobicContact CG2-CB 3.84Å; V250-D294 HydrophobicContact CG2-CB 4.22Å; V250-D294 WeakPolarHBondContact CG2-O 3.41Å; V250-V295 PolarHBondContact N-O 3.49Å; V250-M296 HydrophobicContact CB-CE 3.45Å; V250-M296 VanDerWaalsContact CB-CE 3.45Å; V250-M296 HydrophobicContact CB-SD 3.81Å; V250-M296 HydrophobicContact CG1-CE 3.28Å; V250-M296 HydrophobicContact CG1-SD 4.04Å; V250-M296 HydrophobicContact CG2-CE 4.37Å
251	G	68.1	Low	80.5	Confident	81 Å²	81	43.4 Å²	43.4	84%	0.835	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	76	-2.6	-175	0	0	0	0	0	115.3	G249	G249-G251 PolarHBondContact O-N 3.42Å
252	N	75.9	Confident	80.8	Confident	86 Å²	86	43.5 Å²	43.5	46%	0.46	28%	0.275	S	S	.	.	S	Bend	trans	-148.8	59.7	175.8	-169.6	10.6	0	0	0	111	G248 G249 V250 H297	G248-N252 CarbonylContact C-O 3.55Å; G248-N252 WeakPolarHBondContact CA-O 3.24Å; G248-N252 PolarHBondContact N-O 3.47Å; G249-N252 PolarHBondContact N-O 3.45Å; G249-N252 CarbonylContact O-C 3.56Å; G249-N252 PolarHBondContact O-N 3.15Å; V250-N252 PolarHBondContact O-N 3.16Å; N252-H297 HydrophobicContact CB-CB 3.96Å
253	Q	73.2	Confident	80.9	Confident	85 Å²	85	42.7 Å²	42.7	40%	0.397	27%	0.271	S	S	.	.			trans	-66.1	132.6	-175	-68.4	179.9	-17.5	0	0	111.6	G249 N259	G249-Q253 PolarHBondContact O-N 2.95Å; Q253-N259 PolarHBondContact NE2-OD1 3.32Å
254	H	74.8	Confident	80.7	Confident	96 Å²	96	44.8 Å²	44.8	44%	0.444	28%	0.282	S	S	.	.	S	Bend	trans	-85.4	-36.1	172.6	-177.2	51.7	0	0	0	111.6	A247 Y262	A247-H254 HydrophobicContact CB-CB 3.87Å; H254-Y262 HydrophobicContact CB-CD2 4.26Å
255	I	74	Confident	80.5	Confident	75 Å²	75	49.7 Å²	49.7	39%	0.385	30%	0.303	S	S	.	.	B	Isolated β-bridge	trans	-114.3	124.6	172.2	-59.4	179.9	0	0	0	106.8	G257 D258 Y262	I255-G257 PolarHBondContact O-N 3.44Å; I255-D258 HydrophobicContact CB-CB 4.13Å; I255-D258 HydrophobicContact CG2-CB 4.28Å; I255-D258 PolarHBondContact O-N 3.25Å; I255-D258 VanDerWaalsContact O-O 3.13Å; I255-Y262 HydrophobicContact CB-CE2 4.5Å; I255-Y262 HydrophobicContact CD1-CD1 4.49Å; I255-Y262 HydrophobicContact CD1-CD2 4.24Å; I255-Y262 HydrophobicContact CD1-CE1 3.95Å; I255-Y262 HydrophobicContact CD1-CE2 3.65Å; I255-Y262 HydrophobicContact CG1-CD2 4.37Å; I255-Y262 HydrophobicContact CG1-CE2 4.03Å
256	P	49.8	Very low	80.4	Confident	121 Å²	121	49 Å²	49	79%	0.786	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	129.7	-178.5	-25.9	34.5	0	0	0	112.3	D258	P256-D258 VanDerWaalsContact C-N 3.25Å; P256-D258 PolarHBondContact O-N 3.47Å
257	G	60.6	Low	80.2	Confident	70 Å²	70	51.4 Å²	51.4	72%	0.722	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	81	-1.1	-178.1	0	0	0	0	0	114.9	I255	I255-G257 PolarHBondContact O-N 3.44Å
258	D	75.6	Confident	80.4	Confident	39 Å²	39	58.5 Å²	58.5	21%	0.209	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-120.5	117.3	176.6	-176.2	5.5	0	0	0	111	I255 P256 S260 Y262	I255-D258 HydrophobicContact CB-CB 4.13Å; I255-D258 HydrophobicContact CG2-CB 4.28Å; I255-D258 PolarHBondContact O-N 3.25Å; I255-D258 VanDerWaalsContact O-O 3.13Å; P256-D258 VanDerWaalsContact C-N 3.25Å; P256-D258 PolarHBondContact O-N 3.47Å; D258-S260 PolarHBondContact O-N 3.23Å; D258-S260 WeakPolarHBondContact OD1-CB 3.39Å; D258-S260 PolarHBondContact OD1-N 2.92Å; D258-S260 PolarHBondContact OD1-OG 2.93Å; D258-S260 PolarHBondContact OD2-OG 3.41Å; D258-Y262 WeakPolarHBondContact OD2-CE2 3.06Å; D258-Y262 VanDerWaalsContact OD2-CZ 3.31Å; D258-Y262 PolarHBondContact OD2-OH 2.78Å
259	N	78.1	Confident	80.3	Confident	39 Å²	39	60.8 Å²	60.8	21%	0.209	36%	0.361	C	S	.	.			trans	-82.5	4.4	179.7	-61.8	-35.3	0	0	0	113.5	G249 V250 Q253 D294	G249-N259 VanDerWaalsContact CA-O 3.31Å; G249-N259 WeakPolarHBondContact CA-O 3.46Å; G249-N259 PolarHBondContact N-O 3.27Å; V250-N259 HydrophobicContact CG2-CB 3.84Å; Q253-N259 PolarHBondContact NE2-OD1 3.32Å; N259-D294 VanDerWaalsContact CB-OD1 3.24Å; N259-D294 WeakPolarHBondContact CB-OD1 3.2Å; N259-D294 PolarHBondContact ND2-OD1 2.77Å
260	S	88.4	Confident	80.5	Confident	10 Å²	10	61.4 Å²	61.4	7%	0.07	37%	0.368	C	S	.	.			trans	-70.1	156.5	-175.1	-56.4	0	0	0	0	113.5	G248 D258 Y262 K283	G248-S260 WeakPolarHBondContact CA-O 3.44Å; D258-S260 PolarHBondContact O-N 3.23Å; D258-S260 WeakPolarHBondContact OD1-CB 3.39Å; D258-S260 PolarHBondContact OD1-N 2.92Å; D258-S260 PolarHBondContact OD1-OG 2.93Å; D258-S260 PolarHBondContact OD2-OG 3.41Å; S260-Y262 WeakPolarHBondContact O-CD2 3.47Å; S260-K283 VanDerWaalsContact CB-CE 3.43Å; S260-K283 WeakPolarHBondContact OG-CE 3.44Å; S260-K283 PolarHBondContact OG-NZ 3.07Å
261	I	93	Very high	81.3	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	125.8	177.4	-53.6	-57.6	0	0	0	110.3	I246 G248 K283 I284 L292 V295 A300	I246-I261 HydrophobicContact CB-CG2 3.9Å; I246-I261 HydrophobicContact CD1-CG2 3.68Å; I246-I261 HydrophobicContact CG1-CG2 4.4Å; I246-I261 HydrophobicContact CG2-CG2 4.1Å; G248-I261 VanDerWaalsContact O-CD1 3.26Å; G248-I261 WeakPolarHBondContact O-CD1 3.27Å; I261-K283 WeakPolarHBondContact O-CA 3.29Å; I261-I284 HydrophobicContact CG2-CB 4.47Å; I261-I284 PolarHBondContact O-N 3.33Å; I261-L292 HydrophobicContact CG1-CB 4.17Å; I261-L292 HydrophobicContact CG1-CD1 4.41Å; I261-V295 HydrophobicContact CD1-CG2 4.21Å; I261-V295 HydrophobicContact CG1-CG2 4.16Å; I261-A300 HydrophobicContact CD1-CB 3.62Å; I261-A300 HydrophobicContact CG1-CB 3.77Å; I261-A300 HydrophobicContact CG2-CB 4.42Å
262	Y	93.3	Very high	82.4	Confident	28 Å²	28	56.4 Å²	56.4	11%	0.11	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	145.8	-175.8	-71.5	-81.6	0	0	0	112.6	I246 A247 H254 I255 D258 S260 D282 K283	I246-Y262 CarbonylContact C-O 3.57Å; I246-Y262 WeakPolarHBondContact CA-O 3.46Å; A247-Y262 PolarHBondContact N-O 2.75Å; A247-Y262 PolarHBondContact O-N 2.67Å; H254-Y262 HydrophobicContact CB-CD2 4.26Å; I255-Y262 HydrophobicContact CB-CE2 4.5Å; I255-Y262 HydrophobicContact CD1-CD1 4.49Å; I255-Y262 HydrophobicContact CD1-CD2 4.24Å; I255-Y262 HydrophobicContact CD1-CE1 3.95Å; I255-Y262 HydrophobicContact CD1-CE2 3.65Å; I255-Y262 HydrophobicContact CG1-CD2 4.37Å; I255-Y262 HydrophobicContact CG1-CE2 4.03Å; D258-Y262 WeakPolarHBondContact OD2-CE2 3.06Å; D258-Y262 VanDerWaalsContact OD2-CZ 3.31Å; D258-Y262 PolarHBondContact OD2-OH 2.78Å; S260-Y262 WeakPolarHBondContact O-CD2 3.47Å; Y262-D282 WeakPolarHBondContact CA-O 3.5Å; Y262-K283 HydrophobicContact CD1-CB 4.13Å; Y262-K283 HydrophobicContact CE1-CB 3.73Å; Y262-K283 HydrophobicContact CE1-CD 4.36Å; Y262-K283 HydrophobicContact CE1-CG 4.25Å
263	V	93.6	Very high	83.2	Confident	1 Å²	1	56.6 Å²	56.6	1%	0.006	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	118.1	171.5	-179.3	0	0	0	0	110	F244 S245 I266 L278 Q279 G281 D282 I284	F244-V263 HydrophobicContact CB-CG1 4.28Å; F244-V263 HydrophobicContact CD2-CG1 4.39Å; F244-V263 HydrophobicContact CD2-CG2 4.27Å; S245-V263 WeakPolarHBondContact O-CA 3.46Å; V263-I266 HydrophobicContact CG1-CD1 3.73Å; V263-I266 HydrophobicContact CG1-CG1 4.45Å; V263-L278 HydrophobicContact CG2-CD1 3.98Å; V263-L278 HydrophobicContact CG2-CD2 4.02Å; V263-L278 HydrophobicContact CG2-CG 4.04Å; V263-Q279 WeakPolarHBondContact CB-O 3.32Å; V263-G281 PolarHBondContact O-N 3.42Å; V263-D282 HydrophobicContact CB-CB 4.42Å; V263-D282 HydrophobicContact CG2-CB 4.1Å; V263-D282 PolarHBondContact N-O 3.18Å; V263-I284 HydrophobicContact CG2-CD1 3.88Å; V263-I284 HydrophobicContact CG2-CG1 3.99Å
264	T	87.4	Confident	84	Confident	49 Å²	49	60.4 Å²	60.4	30%	0.301	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	-22.9	-178.5	52.6	0	0	0	0	113.9	S245 A247	S245-T264 PolarHBondContact O-N 2.94Å; S245-T264 PolarHBondContact O-OG1 3.29Å; A247-T264 HydrophobicContact CB-CG2 3.37Å
265	K	88.9	Confident	84.7	Confident	129 Å²	129	58.4 Å²	58.4	56%	0.561	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-153.4	139.9	-179.3	-168.1	171.5	-177.6	171.2	0	110.9	F244 S245	F244-K265 CarbonylContact C-O 3.44Å; F244-K265 WeakPolarHBondContact CA-O 3.35Å; F244-K265 VanDerWaalsContact CB-O 3.27Å; F244-K265 WeakPolarHBondContact CB-O 3.27Å; S245-K265 PolarHBondContact N-O 2.72Å
266	I	91.3	Very high	85.4	Confident	34 Å²	34	57 Å²	57	17%	0.174	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	131.5	165.4	-60.2	-60.7	0	0	0	108	F244 V263 A272 H273 L278 I280	F244-I266 HydrophobicContact CB-CD1 3.71Å; V263-I266 HydrophobicContact CG1-CD1 3.73Å; V263-I266 HydrophobicContact CG1-CG1 4.45Å; I266-A272 HydrophobicContact CD1-CB 4.22Å; I266-H273 HydrophobicContact CG2-CB 3.65Å; I266-L278 HydrophobicContact CD1-CB 4.4Å; I266-L278 HydrophobicContact CD1-CD2 4.05Å; I266-L278 HydrophobicContact CD1-CG 4.17Å; I266-I280 HydrophobicContact CG1-CG1 4.05Å
267	I	89.9	Confident	87.3	Confident	76 Å²	76	56.4 Å²	56.4	39%	0.39	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-88.6	117.7	-178.6	-57.3	177.3	0	0	0	108.7	G243 G269 G270 H273	G243-I267 WeakPolarHBondContact O-CB 3.46Å; G243-I267 PolarHBondContact O-N 2.8Å; I267-G269 PolarHBondContact O-N 2.93Å; I267-G270 WeakPolarHBondContact O-CA 3.5Å; I267-G270 PolarHBondContact O-N 2.85Å; I267-H273 WeakPolarHBondContact O-CB 3.12Å
268	E	87.6	Confident	88.8	Confident	171 Å²	171	53.3 Å²	53.3	80%	0.799	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	131.7	178.6	-165.6	176.5	177.6	0	0	111.6	G270	E268-G270 PolarHBondContact O-N 2.78Å
269	G	84.4	Confident	89.5	Confident	47 Å²	47	57 Å²	57	49%	0.485	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.9	-2.5	-174.4	0	0	0	0	0	115.7	I267 H273 K274	I267-G269 PolarHBondContact O-N 2.93Å; G269-H273 PolarHBondContact N-ND1 2.96Å; G269-H273 VanDerWaalsContact N-ND1 3.17Å; G269-K274 VanDerWaalsContact O-CE 3.31Å; G269-K274 WeakPolarHBondContact O-CE 3.47Å
270	G	88.4	Confident	90	Very high	14 Å²	14	60.4 Å²	60.4	14%	0.144	31%	0.314	C	S	.	.	S	Bend	trans	-75.8	173.2	174.3	0	0	0	0	0	114.1	I267 E268 H273 K274	I267-G270 WeakPolarHBondContact O-CA 3.5Å; I267-G270 PolarHBondContact O-N 2.85Å; E268-G270 PolarHBondContact O-N 2.78Å; G270-H273 PolarHBondContact O-N 3.1Å; G270-K274 WeakPolarHBondContact O-CG 3.31Å; G270-K274 PolarHBondContact O-N 2.88Å
271	A	90.7	Very high	89.6	Confident	14 Å²	14	61.4 Å²	61.4	12%	0.116	33%	0.326	C	S	.	.	H	α-helix	trans	-61.7	-46.3	-176.6	0	0	0	0	0	113.2	I236 H273 K274 D275	I236-A271 WeakPolarHBondContact O-CB 3.37Å; A271-H273 PolarHBondContact O-N 2.86Å; A271-K274 PolarHBondContact O-N 3.45Å; A271-D275 PolarHBondContact O-N 3.07Å
272	A	92.6	Very high	89.5	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-64.4	-36.9	175.5	0	0	0	0	0	113.2	L235 L242 F244 I266 D275 G276 L278	L235-A272 HydrophobicContact CD1-CB 4.13Å; L242-A272 WeakPolarHBondContact O-CB 3.34Å; L242-A272 PolarHBondContact O-N 3.31Å; F244-A272 HydrophobicContact CB-CB 4.26Å; F244-A272 HydrophobicContact CD1-CB 3.73Å; F244-A272 HydrophobicContact CG-CB 4.43Å; I266-A272 HydrophobicContact CD1-CB 4.22Å; A272-D275 PolarHBondContact O-N 2.89Å; A272-G276 PolarHBondContact O-N 2.88Å; A272-L278 HydrophobicContact CB-CB 4.41Å; A272-L278 HydrophobicContact CB-CD2 3.99Å
273	H	91.7	Very high	89.5	Confident	90 Å²	90	62.2 Å²	62.2	42%	0.417	33%	0.33	S	S	.	.	H	α-helix	trans	-64.9	-41	174.8	-177.8	-102.4	0	0	0	112.4	I266 I267 G269 G270 A271	I266-H273 HydrophobicContact CG2-CB 3.65Å; I267-H273 WeakPolarHBondContact O-CB 3.12Å; G269-H273 PolarHBondContact N-ND1 2.96Å; G269-H273 VanDerWaalsContact N-ND1 3.17Å; G270-H273 PolarHBondContact O-N 3.1Å; A271-H273 PolarHBondContact O-N 2.86Å
274	K	89.3	Confident	89.5	Confident	166 Å²	166	62.3 Å²	62.3	72%	0.722	33%	0.33	S	S	*	.	H	α-helix	trans	-69.4	-33.4	177.4	-72.8	-179.9	179.5	-179.4	0	112.9	G269 G270 A271	G269-K274 VanDerWaalsContact O-CE 3.31Å; G269-K274 WeakPolarHBondContact O-CE 3.47Å; G270-K274 WeakPolarHBondContact O-CG 3.31Å; G270-K274 PolarHBondContact O-N 2.88Å; A271-K274 PolarHBondContact O-N 3.45Å
275	D	91	Very high	89.7	Confident	53 Å²	53	60.9 Å²	60.9	28%	0.283	32%	0.321	S	S	.	.	H	α-helix	trans	-74.7	-37	175.7	-176.9	-88.2	0	0	0	112	L235 A271 A272 R277	L235-D275 HydrophobicContact CD2-CB 3.46Å; L235-D275 VanDerWaalsContact CD2-CB 3.46Å; A271-D275 PolarHBondContact O-N 3.07Å; A272-D275 PolarHBondContact O-N 2.89Å; D275-R277 PolarHBondContact O-N 2.88Å; D275-R277 VanDerWaalsContact O-N 3.1Å; D275-R277 VanDerWaalsContact OD1-CB 3.27Å; D275-R277 WeakPolarHBondContact OD1-CB 3.36Å; D275-R277 WeakPolarHBondContact OD1-CG 3.34Å; D275-R277 IonicContact OD1-CZ 3.01Å; D275-R277 PolarHBondContact OD1-N 3.12Å; D275-R277 IonicContact OD1-NE 2.76Å; D275-R277 PolarHBondContact OD1-NE 3.5Å; D275-R277 IonicContact OD1-NH2 3.52Å; D275-R277 PolarHBondContact OD1-NH2 2.96Å; D275-R277 IonicContact OD2-CZ 3.62Å; D275-R277 IonicContact OD2-NE 3.48Å; D275-R277 PolarHBondContact OD2-NE 3.16Å; D275-R277 IonicContact OD2-NH2 3.56Å; D275-R277 PolarHBondContact OD2-NH2 3.29Å
276	G	87.4	Confident	89.8	Confident	46 Å²	46	55.4 Å²	55.4	47%	0.474	30%	0.299	S	S	.	.			trans	74.1	-7.5	171.1	0	0	0	0	0	115.9	A272	A272-G276 PolarHBondContact O-N 2.88Å
277	R	90.4	Very high	90	Very high	109 Å²	109	53.9 Å²	53.9	41%	0.411	29%	0.292	S	S	.	.			trans	-82	-26.5	178.6	-62.5	178.8	-70.2	173.3	-7.1	113.4	I233 K234 D275 K317	I233-R277 HydrophobicContact CD1-CB 3.96Å; I233-R277 HydrophobicContact CG1-CB 4.31Å; I233-R277 HydrophobicContact CG2-CB 4.44Å; K234-R277 PolarHBondContact O-NH2 2.92Å; D275-R277 PolarHBondContact O-N 2.88Å; D275-R277 VanDerWaalsContact O-N 3.1Å; D275-R277 VanDerWaalsContact OD1-CB 3.27Å; D275-R277 WeakPolarHBondContact OD1-CB 3.36Å; D275-R277 WeakPolarHBondContact OD1-CG 3.34Å; D275-R277 IonicContact OD1-CZ 3.01Å; D275-R277 PolarHBondContact OD1-N 3.12Å; D275-R277 IonicContact OD1-NE 2.76Å; D275-R277 PolarHBondContact OD1-NE 3.5Å; D275-R277 IonicContact OD1-NH2 3.52Å; D275-R277 PolarHBondContact OD1-NH2 2.96Å; D275-R277 IonicContact OD2-CZ 3.62Å; D275-R277 IonicContact OD2-NE 3.48Å; D275-R277 PolarHBondContact OD2-NE 3.16Å; D275-R277 IonicContact OD2-NH2 3.56Å; D275-R277 PolarHBondContact OD2-NH2 3.29Å; R277-K317 PolarHBondContact O-NZ 3.03Å
278	L	92.9	Very high	90	Very high	5 Å²	5	53.1 Å²	53.1	3%	0.026	29%	0.288	C	S	.	.			trans	-85.9	130	175.7	-166.3	74.1	0	0	0	109.6	I233 F244 V263 I266 A272 D282 L313 V315	I233-L278 HydrophobicContact CD1-CB 4.16Å; I233-L278 HydrophobicContact CD1-CD1 3.98Å; F244-L278 HydrophobicContact CB-CD2 4.17Å; F244-L278 HydrophobicContact CD1-CD2 3.5Å; F244-L278 HydrophobicContact CD2-CD2 4.01Å; F244-L278 HydrophobicContact CE1-CD2 3.71Å; F244-L278 HydrophobicContact CE2-CD2 4.23Å; F244-L278 HydrophobicContact CG-CD2 3.64Å; F244-L278 HydrophobicContact CZ-CD2 4.08Å; V263-L278 HydrophobicContact CG2-CD1 3.98Å; V263-L278 HydrophobicContact CG2-CD2 4.02Å; V263-L278 HydrophobicContact CG2-CG 4.04Å; I266-L278 HydrophobicContact CD1-CB 4.4Å; I266-L278 HydrophobicContact CD1-CD2 4.05Å; I266-L278 HydrophobicContact CD1-CG 4.17Å; A272-L278 HydrophobicContact CB-CB 4.41Å; A272-L278 HydrophobicContact CB-CD2 3.99Å; L278-D282 WeakPolarHBondContact CA-OD2 3.49Å; L278-D282 HydrophobicContact CD1-CB 4.24Å; L278-L313 HydrophobicContact CD2-CD1 4.35Å; L278-V315 HydrophobicContact CD1-CG1 4.18Å; L278-V315 HydrophobicContact CD1-CG2 3.89Å
279	Q	89.4	Confident	89.8	Confident	117 Å²	117	53 Å²	53	55%	0.547	29%	0.294	S	S	.	.			trans	-124.8	160.6	-176.9	-66.8	-179.3	-10.1	0	0	111	V263 D282	V263-Q279 WeakPolarHBondContact CB-O 3.32Å; Q279-D282 PolarHBondContact N-OD2 3Å; Q279-D282 VanDerWaalsContact O-CB 3.29Å; Q279-D282 WeakPolarHBondContact O-CB 3.28Å; Q279-D282 VanDerWaalsContact O-CG 3.29Å; Q279-D282 PolarHBondContact O-N 2.94Å
280	I	87.4	Confident	89.9	Confident	109 Å²	109	54.6 Å²	54.6	56%	0.559	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	135.6	171.9	-60	176.5	0	0	0	108.3	I266	I266-I280 HydrophobicContact CG1-CG1 4.05Å
281	G	82	Confident	89.9	Confident	31 Å²	31	57.3 Å²	57.3	32%	0.32	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.8	-6.1	-176	0	0	0	0	0	114.8	V263	V263-G281 PolarHBondContact O-N 3.42Å
282	D	90.2	Very high	89.8	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	31%	0.305	C	S	.	.			trans	-64.7	137.6	172.8	-79.4	-8.1	0	0	0	111.7	Y262 V263 L278 Q279 V315 K317	Y262-D282 WeakPolarHBondContact CA-O 3.5Å; V263-D282 HydrophobicContact CB-CB 4.42Å; V263-D282 HydrophobicContact CG2-CB 4.1Å; V263-D282 PolarHBondContact N-O 3.18Å; L278-D282 WeakPolarHBondContact CA-OD2 3.49Å; L278-D282 HydrophobicContact CD1-CB 4.24Å; Q279-D282 PolarHBondContact N-OD2 3Å; Q279-D282 VanDerWaalsContact O-CB 3.29Å; Q279-D282 WeakPolarHBondContact O-CB 3.28Å; Q279-D282 VanDerWaalsContact O-CG 3.29Å; Q279-D282 PolarHBondContact O-N 2.94Å; D282-V315 HydrophobicContact CB-CG1 3.55Å; D282-K317 WeakPolarHBondContact OD1-CD 3.32Å; D282-K317 IonicContact OD1-NZ 3.16Å; D282-K317 PolarHBondContact OD1-NZ 3.3Å; D282-K317 IonicContact OD2-NZ 3.67Å; D282-K317 PolarHBondContact OD2-NZ 2.83Å
283	K	92.6	Very high	89.4	Confident	46 Å²	46	62.3 Å²	62.3	20%	0.2	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	121.1	175.4	176	170.6	166.6	166.7	0	110.5	S260 I261 Y262 L285 V315 A316	S260-K283 VanDerWaalsContact CB-CE 3.43Å; S260-K283 WeakPolarHBondContact OG-CE 3.44Å; S260-K283 PolarHBondContact OG-NZ 3.07Å; I261-K283 WeakPolarHBondContact O-CA 3.29Å; Y262-K283 HydrophobicContact CD1-CB 4.13Å; Y262-K283 HydrophobicContact CE1-CB 3.73Å; Y262-K283 HydrophobicContact CE1-CD 4.36Å; Y262-K283 HydrophobicContact CE1-CG 4.25Å; K283-L285 HydrophobicContact CD-CD2 4.11Å; K283-L285 HydrophobicContact CG-CD2 3.97Å; K283-V315 CarbonylContact O-C 3.59Å; K283-V315 VanDerWaalsContact O-CA 3.28Å; K283-V315 WeakPolarHBondContact O-CA 3.16Å; K283-V315 WeakPolarHBondContact O-CG1 3.36Å; K283-A316 HydrophobicContact CB-CB 4.26Å; K283-A316 PolarHBondContact N-O 2.9Å; K283-A316 VanDerWaalsContact N-O 3.08Å; K283-A316 PolarHBondContact O-N 3.46Å
284	I	93.9	Very high	88.9	Confident	2 Å²	2	63.3 Å²	63.3	1%	0.01	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	110.5	178.4	-51.5	179	0	0	0	108.8	F244 I246 I261 V263 V287 L292	F244-I284 HydrophobicContact CE2-CD1 3.62Å; F244-I284 HydrophobicContact CZ-CD1 4.15Å; I246-I284 HydrophobicContact CG2-CD1 3.72Å; I261-I284 HydrophobicContact CG2-CB 4.47Å; I261-I284 PolarHBondContact O-N 3.33Å; V263-I284 HydrophobicContact CG2-CD1 3.88Å; V263-I284 HydrophobicContact CG2-CG1 3.99Å; I284-V287 HydrophobicContact CG2-CG2 4.21Å; I284-L292 HydrophobicContact CG2-CD1 3.97Å
285	L	91.1	Very high	88.6	Confident	20 Å²	20	56.7 Å²	56.7	11%	0.105	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	-33.7	179.3	-57.6	177.9	0	0	0	112.2	V230 K283 L292 R314 A316	V230-L285 HydrophobicContact CG1-CD1 3.89Å; V230-L285 HydrophobicContact CG2-CD1 3.84Å; K283-L285 HydrophobicContact CD-CD2 4.11Å; K283-L285 HydrophobicContact CG-CD2 3.97Å; L285-L292 PolarHBondContact O-N 2.78Å; L285-R314 HydrophobicContact CB-CB 4.44Å; L285-R314 HydrophobicContact CB-CG 4.49Å; L285-R314 WeakPolarHBondContact CB-O 3.21Å; L285-R314 PolarHBondContact N-O 3.44Å; L285-A316 HydrophobicContact CD1-CB 4.06Å; L285-A316 HydrophobicContact CD2-CB 4.45Å; L285-A316 HydrophobicContact CG-CB 4.27Å
286	A	91.8	Very high	88.5	Confident	13 Å²	13	58.4 Å²	58.4	11%	0.107	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	154.7	-179.8	0	0	0	0	0	113	V290 L313 R314	A286-V290 CarbonylContact C-O 3.5Å; A286-V290 WeakPolarHBondContact CA-O 3.31Å; A286-V290 VanDerWaalsContact CB-O 3.31Å; A286-V290 WeakPolarHBondContact CB-O 3.44Å; A286-L313 WeakPolarHBondContact O-CA 3.28Å; A286-R314 HydrophobicContact CB-CB 3.91Å; A286-R314 PolarHBondContact N-O 2.92Å; A286-R314 PolarHBondContact O-N 3.05Å
287	V	94.2	Very high	88.5	Confident	2 Å²	2	58.5 Å²	58.5	1%	0.012	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	113.1	171	-178.5	0	0	0	0	108.5	I284 N289 V290 L292 L304 T307 V311 Y312 L313	I284-V287 HydrophobicContact CG2-CG2 4.21Å; V287-N289 PolarHBondContact O-N 2.9Å; V287-V290 PolarHBondContact N-O 3.01Å; V287-V290 WeakPolarHBondContact O-CB 3.32Å; V287-V290 PolarHBondContact O-N 2.93Å; V287-L292 HydrophobicContact CG2-CD1 3.53Å; V287-L292 HydrophobicContact CG2-CG 4.24Å; V287-L304 HydrophobicContact CB-CD2 4.48Å; V287-L304 HydrophobicContact CG1-CD2 4.13Å; V287-L304 HydrophobicContact CG2-CD2 3.47Å; V287-L304 VanDerWaalsContact CG2-CD2 3.47Å; V287-L304 HydrophobicContact CG2-CG 3.91Å; V287-T307 HydrophobicContact CG1-CG2 3.81Å; V287-V311 HydrophobicContact CG1-CG1 3.72Å; V287-Y312 CarbonylContact C-O 3.57Å; V287-L313 HydrophobicContact CB-CD2 4.27Å; V287-L313 HydrophobicContact CG1-CD2 4.12Å; V287-L313 HydrophobicContact CG2-CD2 3.74Å
288	N	90.7	Very high	88.5	Confident	60 Å²	60	61 Å²	61	32%	0.321	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.3	-116.1	-165.6	-60.4	-40.1	0	0	0	110.1	T307 Y312	N288-T307 WeakPolarHBondContact ND2-CG2 3.35Å; N288-Y312 PolarHBondContact N-O 3.48Å; N288-Y312 PolarHBondContact OD1-N 2.86Å
289	N	83.1	Confident	88.4	Confident	170 Å²	170	65.4 Å²	65.4	91%	0.909	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	5.1	178.8	-62.3	-9.9	0	0	0	112.9	V287	V287-N289 PolarHBondContact O-N 2.9Å
290	V	87	Confident	88.3	Confident	79 Å²	79	59.9 Å²	59.9	48%	0.479	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	116.8	-178.5	-176.3	0	0	0	0	109.3	A286 V287 L292 A303	A286-V290 CarbonylContact C-O 3.5Å; A286-V290 WeakPolarHBondContact CA-O 3.31Å; A286-V290 VanDerWaalsContact CB-O 3.31Å; A286-V290 WeakPolarHBondContact CB-O 3.44Å; V287-V290 PolarHBondContact N-O 3.01Å; V287-V290 WeakPolarHBondContact O-CB 3.32Å; V287-V290 PolarHBondContact O-N 2.93Å; V290-L292 HydrophobicContact CG1-CD2 4.31Å; V290-A303 HydrophobicContact CG1-CB 4.26Å
291	C	87.8	Confident	88.5	Confident	71 Å²	71	56.4 Å²	56.4	48%	0.48	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	138.6	173.6	-168.4	0	0	0	0	110.4
292	L	90	Very high	88.8	Confident	3 Å²	3	56.6 Å²	56.6	2%	0.016	31%	0.308	C	S	.	.			trans	-114.1	21.8	179	-61.9	-168.9	0	0	0	113.1	I261 I284 L285 V287 V290 V295 A300 A303	I261-L292 HydrophobicContact CG1-CB 4.17Å; I261-L292 HydrophobicContact CG1-CD1 4.41Å; I284-L292 HydrophobicContact CG2-CD1 3.97Å; L285-L292 PolarHBondContact O-N 2.78Å; V287-L292 HydrophobicContact CG2-CD1 3.53Å; V287-L292 HydrophobicContact CG2-CG 4.24Å; V290-L292 HydrophobicContact CG1-CD2 4.31Å; L292-V295 HydrophobicContact CB-CG2 4.14Å; L292-V295 HydrophobicContact CD2-CG2 4.16Å; L292-A300 HydrophobicContact CD1-CB 4.27Å; L292-A300 HydrophobicContact CD2-CB 4.32Å; L292-A303 HydrophobicContact CD2-CB 3.96Å
293	E	84.3	Confident	88.9	Confident	117 Å²	117	57.3 Å²	57.3	55%	0.547	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	131.4	170.8	-69	176.3	175.4	0	0	110.3	V295	E293-V295 PolarHBondContact O-N 3.3Å; E293-V295 VanDerWaalsContact O-N 3.11Å
294	D	81	Confident	88.9	Confident	111 Å²	111	56 Å²	56	59%	0.594	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	34.4	178.3	-64.1	-53.5	0	0	0	114.9	V250 N259	V250-D294 HydrophobicContact CG2-CB 4.22Å; V250-D294 WeakPolarHBondContact CG2-O 3.41Å; N259-D294 VanDerWaalsContact CB-OD1 3.24Å; N259-D294 WeakPolarHBondContact CB-OD1 3.2Å; N259-D294 PolarHBondContact ND2-OD1 2.77Å
295	V	82.7	Confident	88.6	Confident	26 Å²	26	63.7 Å²	63.7	16%	0.158	34%	0.342	C	S	.	.			trans	-91.9	155.9	175.8	-59.4	0	0	0	0	111.7	G249 V250 I261 L292 E293 D299 A300	G249-V295 CarbonylContact C-O 3.56Å; G249-V295 WeakPolarHBondContact CA-O 3.39Å; V250-V295 PolarHBondContact N-O 3.49Å; I261-V295 HydrophobicContact CD1-CG2 4.21Å; I261-V295 HydrophobicContact CG1-CG2 4.16Å; L292-V295 HydrophobicContact CB-CG2 4.14Å; L292-V295 HydrophobicContact CD2-CG2 4.16Å; E293-V295 PolarHBondContact O-N 3.3Å; E293-V295 VanDerWaalsContact O-N 3.11Å; V295-D299 HydrophobicContact CB-CB 4.34Å; V295-A300 HydrophobicContact CG2-CB 3.99Å
296	M	87.6	Confident	88.4	Confident	90 Å²	90	69.7 Å²	69.7	44%	0.443	37%	0.374	S	S	.	.	B	Isolated β-bridge	trans	-66.2	152	169.6	-60.5	-67.5	143.3	0	0	110.3	V250 E298 D299 A300	V250-M296 HydrophobicContact CB-CE 3.45Å; V250-M296 VanDerWaalsContact CB-CE 3.45Å; V250-M296 HydrophobicContact CB-SD 3.81Å; V250-M296 HydrophobicContact CG1-CE 3.28Å; V250-M296 HydrophobicContact CG1-SD 4.04Å; V250-M296 HydrophobicContact CG2-CE 4.37Å; M296-E298 PolarHBondContact O-N 2.78Å; M296-D299 HydrophobicContact CB-CB 4.49Å; M296-D299 WeakPolarHBondContact CB-OD2 3.44Å; M296-D299 PolarHBondContact O-N 2.81Å; M296-D299 VanDerWaalsContact O-N 3.09Å; M296-A300 PolarHBondContact O-N 3.38Å; M296-A300 VanDerWaalsContact O-N 3.15Å
297	H	88.6	Confident	88.3	Confident	47 Å²	47	70.3 Å²	70.3	22%	0.218	38%	0.377	C	S	.	.	H	α-helix	trans	-55.7	-41	177.3	-176.9	77.2	0	0	0	112.3	G248 N252 D299 A300 V301	G248-H297 WeakPolarHBondContact O-CB 3.41Å; G248-H297 PolarHBondContact O-ND1 3.02Å; N252-H297 HydrophobicContact CB-CB 3.96Å; H297-D299 VanDerWaalsContact C-N 3.33Å; H297-D299 PolarHBondContact O-N 2.83Å; H297-A300 PolarHBondContact O-N 2.81Å; H297-V301 WeakPolarHBondContact O-CG2 3.39Å; H297-V301 PolarHBondContact O-N 2.78Å
298	E	90.7	Very high	87.9	Confident	161 Å²	161	73.8 Å²	73.8	75%	0.752	41%	0.406	S	S	*	.	H	α-helix	trans	-63.5	-37.7	178.7	-63.7	-171.2	170.4	0	0	112.6	M296 V301 G302	M296-E298 PolarHBondContact O-N 2.78Å; E298-V301 PolarHBondContact O-N 3.08Å; E298-G302 PolarHBondContact O-N 2.96Å
299	D	89.3	Confident	87.7	Confident	99 Å²	99	77.4 Å²	77.4	53%	0.529	42%	0.421	S	S	.	.	H	α-helix	trans	-67.9	-40	178.1	-65.7	-36.9	0	0	0	111.3	V295 M296 H297 G302 A303	V295-D299 HydrophobicContact CB-CB 4.34Å; M296-D299 HydrophobicContact CB-CB 4.49Å; M296-D299 WeakPolarHBondContact CB-OD2 3.44Å; M296-D299 PolarHBondContact O-N 2.81Å; M296-D299 VanDerWaalsContact O-N 3.09Å; H297-D299 VanDerWaalsContact C-N 3.33Å; H297-D299 PolarHBondContact O-N 2.83Å; D299-G302 PolarHBondContact O-N 2.84Å; D299-A303 WeakPolarHBondContact O-CB 3.36Å; D299-A303 PolarHBondContact O-N 2.48Å
300	A	89.2	Confident	88	Confident	0 Å²	0	71.7 Å²	71.7	0%	0	39%	0.392	C	S	.	.	H	α-helix	trans	-63.9	-42.4	173.7	0	0	0	0	0	112	I246 I261 L292 V295 M296 H297 G302 A303 L304	I246-A300 HydrophobicContact CD1-CB 3.99Å; I261-A300 HydrophobicContact CD1-CB 3.62Å; I261-A300 HydrophobicContact CG1-CB 3.77Å; I261-A300 HydrophobicContact CG2-CB 4.42Å; L292-A300 HydrophobicContact CD1-CB 4.27Å; L292-A300 HydrophobicContact CD2-CB 4.32Å; V295-A300 HydrophobicContact CG2-CB 3.99Å; M296-A300 PolarHBondContact O-N 3.38Å; M296-A300 VanDerWaalsContact O-N 3.15Å; H297-A300 PolarHBondContact O-N 2.81Å; A300-G302 VanDerWaalsContact C-N 3.34Å; A300-A303 PolarHBondContact O-N 2.95Å; A300-L304 WeakPolarHBondContact O-CG 3.31Å; A300-L304 PolarHBondContact O-N 3.43Å
301	V	90.1	Very high	88.3	Confident	36 Å²	36	67.9 Å²	67.9	22%	0.218	37%	0.369	C	S	.	.	H	α-helix	trans	-64.4	-40.9	174.4	172.2	0	0	0	0	110.9	I246 H297 E298 L304 K305	I246-V301 HydrophobicContact CD1-CG2 4.03Å; I246-V301 HydrophobicContact CG1-CG2 4.47Å; H297-V301 WeakPolarHBondContact O-CG2 3.39Å; H297-V301 PolarHBondContact O-N 2.78Å; E298-V301 PolarHBondContact O-N 3.08Å; V301-L304 PolarHBondContact O-N 3.03Å; V301-K305 HydrophobicContact CG1-CD 3.8Å; V301-K305 HydrophobicContact CG1-CG 4.33Å; V301-K305 WeakPolarHBondContact O-CB 3.48Å; V301-K305 WeakPolarHBondContact O-CG 3.5Å; V301-K305 PolarHBondContact O-N 2.97Å
302	G	89.4	Confident	88.6	Confident	35 Å²	35	68.7 Å²	68.7	36%	0.361	36%	0.362	S	S	.	.	H	α-helix	trans	-59.4	-48.7	174.2	0	0	0	0	0	111.7	E298 D299 A300 L304 K305 N306	E298-G302 PolarHBondContact O-N 2.96Å; D299-G302 PolarHBondContact O-N 2.84Å; A300-G302 VanDerWaalsContact C-N 3.34Å; G302-L304 VanDerWaalsContact C-N 3.34Å; G302-L304 PolarHBondContact O-N 3.33Å; G302-K305 PolarHBondContact O-N 3.49Å; G302-N306 WeakPolarHBondContact O-CB 3.44Å; G302-N306 PolarHBondContact O-N 3.3Å
303	A	91.6	Very high	88.8	Confident	16 Å²	16	68.6 Å²	68.6	13%	0.132	36%	0.362	C	S	.	.	H	α-helix	trans	-62.3	-36.7	177.8	0	0	0	0	0	112.7	V290 L292 D299 A300 T307	V290-A303 HydrophobicContact CG1-CB 4.26Å; L292-A303 HydrophobicContact CD2-CB 3.96Å; D299-A303 WeakPolarHBondContact O-CB 3.36Å; D299-A303 PolarHBondContact O-N 2.48Å; A300-A303 PolarHBondContact O-N 2.95Å; A303-T307 WeakPolarHBondContact O-CG2 3.25Å
304	L	92	Very high	89.2	Confident	19 Å²	19	69.7 Å²	69.7	10%	0.099	36%	0.361	C	S	.	.	H	α-helix	trans	-76.2	-36.3	176.8	-74.3	165.6	0	0	0	113.1	L242 F244 I246 V287 A300 V301 G302 T307 L313	L242-L304 HydrophobicContact CD1-CD2 3.91Å; F244-L304 HydrophobicContact CE2-CD1 4.26Å; F244-L304 HydrophobicContact CE2-CD2 4.34Å; F244-L304 HydrophobicContact CZ-CD2 3.83Å; I246-L304 HydrophobicContact CD1-CD1 3.54Å; I246-L304 HydrophobicContact CG1-CD1 4.07Å; I246-L304 HydrophobicContact CG2-CD1 3.88Å; V287-L304 HydrophobicContact CB-CD2 4.48Å; V287-L304 HydrophobicContact CG1-CD2 4.13Å; V287-L304 HydrophobicContact CG2-CD2 3.47Å; V287-L304 VanDerWaalsContact CG2-CD2 3.47Å; V287-L304 HydrophobicContact CG2-CG 3.91Å; A300-L304 WeakPolarHBondContact O-CG 3.31Å; A300-L304 PolarHBondContact O-N 3.43Å; V301-L304 PolarHBondContact O-N 3.03Å; G302-L304 VanDerWaalsContact C-N 3.34Å; G302-L304 PolarHBondContact O-N 3.33Å; L304-T307 PolarHBondContact O-OG1 3.31Å; L304-L313 HydrophobicContact CD2-CD2 3.99Å
305	K	88.1	Confident	89.8	Confident	163 Å²	163	64.4 Å²	64.4	71%	0.709	33%	0.333	S	S	*	.	H	α-helix	trans	-74.6	-42.8	178.9	-75	179.5	178.9	173.6	0	111.8	K237 V301 G302 T307	K237-K305 PolarHBondContact NZ-O 3.48Å; K237-K305 VanDerWaalsContact NZ-O 3.09Å; V301-K305 HydrophobicContact CG1-CD 3.8Å; V301-K305 HydrophobicContact CG1-CG 4.33Å; V301-K305 WeakPolarHBondContact O-CB 3.48Å; V301-K305 WeakPolarHBondContact O-CG 3.5Å; V301-K305 PolarHBondContact O-N 2.97Å; G302-K305 PolarHBondContact O-N 3.49Å; K305-T307 VanDerWaalsContact C-N 3.25Å; K305-T307 PolarHBondContact O-N 3.33Å
306	N	87.1	Confident	90	Very high	146 Å²	146	63.3 Å²	63.3	78%	0.781	33%	0.326	S	S	*	.	S	Bend	trans	-86.9	56.1	-175.5	-166.4	23.2	0	0	0	112.8	G302	G302-N306 WeakPolarHBondContact O-CB 3.44Å; G302-N306 PolarHBondContact O-N 3.3Å
307	T	89.4	Confident	89.7	Confident	26 Å²	26	61.6 Å²	61.6	16%	0.16	32%	0.316	C	S	.	.			trans	-127.1	154.4	178.1	44.8	0	0	0	0	111	K237 V287 N288 A303 L304 K305 V311	K237-T307 WeakPolarHBondContact CE-OG1 3.43Å; K237-T307 PolarHBondContact NZ-O 2.85Å; K237-T307 PolarHBondContact NZ-OG1 3.32Å; V287-T307 HydrophobicContact CG1-CG2 3.81Å; N288-T307 WeakPolarHBondContact ND2-CG2 3.35Å; A303-T307 WeakPolarHBondContact O-CG2 3.25Å; L304-T307 PolarHBondContact O-OG1 3.31Å; K305-T307 VanDerWaalsContact C-N 3.25Å; K305-T307 PolarHBondContact O-N 3.33Å; T307-V311 HydrophobicContact CG2-CG1 4.3Å; T307-V311 HydrophobicContact CG2-CG2 4.32Å; T307-V311 WeakPolarHBondContact OG1-CG2 3.31Å
308	A	85.8	Confident	88.6	Confident	74 Å²	74	63.1 Å²	63.1	61%	0.612	33%	0.331	S	S	*	.			trans	-66.5	-177.7	174	0	0	0	0	0	111.6	K237 V310	K237-A308 WeakPolarHBondContact CD-O 3.43Å; K237-A308 WeakPolarHBondContact CE-O 3.3Å; A308-V310 PolarHBondContact O-N 3.17Å
309	E	86.4	Confident	86.8	Confident	137 Å²	137	61.1 Å²	61.1	64%	0.64	33%	0.325	S	S	*	.	S	Bend	trans	-57.7	-32.1	178.1	-168.2	178.9	-172.2	0	0	112.4	I236 K237	I236-E309 CarbonylContact C-O 3.55Å; I236-E309 WeakPolarHBondContact CA-O 3.34Å; I236-E309 HydrophobicContact CG2-CG 4.03Å; K237-E309 PolarHBondContact N-O 2.76Å
310	V	90.6	Very high	84.4	Confident	49 Å²	49	63.2 Å²	63.2	30%	0.297	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	131.2	176.1	-178.6	0	0	0	0	109.9	K234 I236 A308 Y312	K234-V310 HydrophobicContact CD-CG1 4.25Å; K234-V310 HydrophobicContact CG-CG1 3.92Å; I236-V310 HydrophobicContact CG1-CG2 4.48Å; A308-V310 PolarHBondContact O-N 3.17Å; V310-Y312 HydrophobicContact CG1-CD2 4.45Å; V310-Y312 HydrophobicContact CG1-CE2 3.77Å
311	V	93.4	Very high	82	Confident	0 Å²	0	70.4 Å²	70.4	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	130.6	-179.3	-172.7	0	0	0	0	109.9	K234 L235 K237 L242 V287 T307 L313	K234-V311 CarbonylContact C-O 3.47Å; K234-V311 WeakPolarHBondContact CA-O 3.32Å; L235-V311 PolarHBondContact N-O 3.03Å; L235-V311 PolarHBondContact O-N 2.73Å; K237-V311 HydrophobicContact CG-CG2 4.3Å; L242-V311 HydrophobicContact CD1-CG1 4.39Å; L242-V311 HydrophobicContact CD1-CG2 4.38Å; L242-V311 HydrophobicContact CD2-CB 3.98Å; L242-V311 HydrophobicContact CD2-CG2 3.76Å; V287-V311 HydrophobicContact CG1-CG1 3.72Å; T307-V311 HydrophobicContact CG2-CG1 4.3Å; T307-V311 HydrophobicContact CG2-CG2 4.32Å; T307-V311 WeakPolarHBondContact OG1-CG2 3.31Å; V311-L313 HydrophobicContact CG1-CD2 3.89Å; V311-L313 HydrophobicContact CG1-CG 4.43Å
312	Y	92.9	Very high	79.3	Confident	88 Å²	88	78.2 Å²	78.2	35%	0.345	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	126.7	172.3	-62	-93.1	0	0	0	108.5	I233 K234 V287 N288 V310	I233-Y312 CarbonylContact O-C 3.36Å; I233-Y312 WeakPolarHBondContact O-CA 3.4Å; K234-Y312 HydrophobicContact CB-CD1 3.92Å; K234-Y312 HydrophobicContact CB-CE1 3.85Å; K234-Y312 HydrophobicContact CD-CE1 3.64Å; K234-Y312 WeakPolarHBondContact CE-OH 3.47Å; K234-Y312 HydrophobicContact CG-CD1 4.05Å; K234-Y312 HydrophobicContact CG-CE1 3.63Å; K234-Y312 PolarHBondContact NZ-OH 2.98Å; V287-Y312 CarbonylContact C-O 3.57Å; N288-Y312 PolarHBondContact N-O 3.48Å; N288-Y312 PolarHBondContact OD1-N 2.86Å; V310-Y312 HydrophobicContact CG1-CD2 4.45Å; V310-Y312 HydrophobicContact CG1-CE2 3.77Å
313	L	95.4	Very high	76.7	Confident	0 Å²	0	84.1 Å²	84.1	0%	0	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	131.3	176.4	-58.7	179.4	0	0	0	108.7	E232 I233 L235 F244 L278 A286 V287 L304 V311 V315	E232-L313 CarbonylContact C-O 3.13Å; E232-L313 WeakPolarHBondContact CA-O 3.48Å; I233-L313 HydrophobicContact CB-CB 4.44Å; I233-L313 PolarHBondContact N-O 3.16Å; I233-L313 PolarHBondContact O-N 3.43Å; L235-L313 HydrophobicContact CD1-CD1 3.72Å; F244-L313 HydrophobicContact CE1-CD1 3.89Å; F244-L313 HydrophobicContact CZ-CD1 3.75Å; L278-L313 HydrophobicContact CD2-CD1 4.35Å; A286-L313 WeakPolarHBondContact O-CA 3.28Å; V287-L313 HydrophobicContact CB-CD2 4.27Å; V287-L313 HydrophobicContact CG1-CD2 4.12Å; V287-L313 HydrophobicContact CG2-CD2 3.74Å; L304-L313 HydrophobicContact CD2-CD2 3.99Å; V311-L313 HydrophobicContact CG1-CD2 3.89Å; V311-L313 HydrophobicContact CG1-CG 4.43Å; L313-V315 HydrophobicContact CB-CG2 3.82Å
314	R	92.9	Very high	73.5	Confident	141 Å²	141	89.6 Å²	89.6	53%	0.532	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	117.9	168.7	-165.4	172.3	171.7	-179.4	-7	107.9	V230 L285 A286	V230-R314 HydrophobicContact CG1-CG 3.45Å; V230-R314 VanDerWaalsContact CG1-CG 3.45Å; L285-R314 HydrophobicContact CB-CB 4.44Å; L285-R314 HydrophobicContact CB-CG 4.49Å; L285-R314 WeakPolarHBondContact CB-O 3.21Å; L285-R314 PolarHBondContact N-O 3.44Å; A286-R314 HydrophobicContact CB-CB 3.91Å; A286-R314 PolarHBondContact N-O 2.92Å; A286-R314 PolarHBondContact O-N 3.05Å
315	V	91.8	Very high	70.3	Confident	0 Å²	0	96.5 Å²	96.5	0%	0	50%	0.496	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	129.9	-166.3	-178.2	0	0	0	0	110.4	V230 T231 I233 L278 D282 K283 L313	V230-V315 WeakPolarHBondContact CA-O 3.48Å; T231-V315 PolarHBondContact N-O 3.41Å; T231-V315 PolarHBondContact O-N 3.44Å; I233-V315 HydrophobicContact CD1-CB 4.36Å; I233-V315 HydrophobicContact CD1-CG2 4.09Å; L278-V315 HydrophobicContact CD1-CG1 4.18Å; L278-V315 HydrophobicContact CD1-CG2 3.89Å; D282-V315 HydrophobicContact CB-CG1 3.55Å; K283-V315 CarbonylContact O-C 3.59Å; K283-V315 VanDerWaalsContact O-CA 3.28Å; K283-V315 WeakPolarHBondContact O-CA 3.16Å; K283-V315 WeakPolarHBondContact O-CG1 3.36Å; L313-V315 HydrophobicContact CB-CG2 3.82Å
316	A	87.5	Confident	67.5	Low	3 Å²	3	93.7 Å²	93.7	3%	0.025	50%	0.498	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	131.6	169.1	0	0	0	0	0	110	K283 L285	K283-A316 HydrophobicContact CB-CB 4.26Å; K283-A316 PolarHBondContact N-O 2.9Å; K283-A316 VanDerWaalsContact N-O 3.08Å; K283-A316 PolarHBondContact O-N 3.46Å; L285-A316 HydrophobicContact CD1-CB 4.06Å; L285-A316 HydrophobicContact CD2-CB 4.45Å; L285-A316 HydrophobicContact CG-CB 4.27Å
317	K	82.3	Confident	64.7	Low	53 Å²	53	97.5 Å²	97.5	23%	0.23	50%	0.503	C	S	.	.	P	Polyproline II helix	trans	-87.8	129.8	177.5	-66.2	-58.1	-165.7	168.4	0	110.1	K229 R277 D282 N319	K229-K317 PolarHBondContact O-N 3.34Å; R277-K317 PolarHBondContact O-NZ 3.03Å; D282-K317 WeakPolarHBondContact OD1-CD 3.32Å; D282-K317 IonicContact OD1-NZ 3.16Å; D282-K317 PolarHBondContact OD1-NZ 3.3Å; D282-K317 IonicContact OD2-NZ 3.67Å; D282-K317 PolarHBondContact OD2-NZ 2.83Å; K317-N319 PolarHBondContact O-N 3.03Å
318	P	64.5	Low	61.7	Low	80 Å²	80	103.7 Å²	103.7	52%	0.519	54%	0.535	S	S	.	.	P	Polyproline II helix	trans	-62.5	134.1	175.9	24.3	-31.5	0	0	0	110.4	N320	P318-N320 PolarHBondContact O-N 3.24Å
319	N	53.4	Low	58.8	Low	119 Å²	119	105.8 Å²	105.8	64%	0.636	54%	0.542	S	S	*	.	P	Polyproline II helix	trans	-71.5	119.9	174	-100.7	-11.9	0	0	0	109.4	K317 L321	K317-N319 PolarHBondContact O-N 3.03Å; N319-L321 VanDerWaalsContact C-N 3.34Å; N319-L321 PolarHBondContact O-N 3.46Å
320	N	39.6	Very low	56.2	Low	142 Å²	142	105.2 Å²	105.2	76%	0.759	55%	0.55	S	S	*	*	S	Bend	trans	-82.6	69.1	-166.7	-153.9	16.8	0	0	0	112.5	P318	P318-N320 PolarHBondContact O-N 3.24Å
321	L	37.2	Very low	53	Low	151 Å²	151	110.1 Å²	110.1	79%	0.791	58%	0.575	S	S	*	*	S	Bend	trans	-128.9	0.5	174.9	-80.1	172.5	0	0	0	116.2	N319	N319-L321 VanDerWaalsContact C-N 3.34Å; N319-L321 PolarHBondContact O-N 3.46Å
322	F	35.1	Very low	49.8	Very low	201 Å²	201	118 Å²	118	88%	0.882	62%	0.616	S	S	*	*	S	Bend	trans	-139.1	20.7	179.3	-78.2	-76.5	0	0	0	116.6
323	L	33.6	Very low	46.7	Very low	158 Å²	158	119.3 Å²	119.3	83%	0.827	63%	0.633	S	S	*	*			trans	-124	74.5	175.1	-125.4	87.4	0	0	0	112.7
324	T	25.3	Very low	43.3	Very low	132 Å²	132	124.9 Å²	124.9	81%	0.81	67%	0.672	S	S	*	*			trans	-135.2	87.9	159.1	60.2	0	0	0	0	110.1
325	N	24.6	Very low	39.9	Very low	163 Å²	163	124 Å²	124	87%	0.872	68%	0.683	S	S	*	*				-164.6	128.2	127	-118.9	-2.4	0	0	0	112
326	S	28.4	Very low	36.7	Very low	105 Å²	105	133.9 Å²	133.9	73%	0.734	72%	0.722	S	S	*	*			trans	-78.8	137.2	-172.4	-48.7	0	0	0	0	112.7
327	Y	28	Very low	33.8	Very low	226 Å²	226	137.9 Å²	137.9	89%	0.886	75%	0.749	S	S	*	*			trans	-133.4	91.6	150.1	-87.4	-83	0	0	0	109
328	N	27.3	Very low	31.2	Very low	156 Å²	156	143.2 Å²	143.2	83%	0.834	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-89.8	132	155.7	-80.3	-18.5	0	0	0	107.6
329	P	25.6	Very low	29.3	Very low	118 Å²	118	146.6 Å²	146.6	77%	0.766	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-78	156.1	161.9	-0.9	18.8	0	0	0	110.8
330	P	30.7	Very low	28	Very low	125 Å²	125	147.3 Å²	147.3	81%	0.812	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-79.2	139.9	-168.3	31.4	-32.6	0	0	0	112.8
331	D	24.3	Very low	27.4	Very low	152 Å²	152	146.5 Å²	146.5	81%	0.813	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-101.9	121.5	164.7	-147.7	-0	0	0	0	107.2
332	L	26.4	Very low	26.8	Very low	164 Å²	164	146.9 Å²	146.9	86%	0.859	79%	0.788	S	S	*	*			trans	-124.5	110.9	169.8	-82.3	175.8	0	0	0	109.9
333	T	27.1	Very low	26.5	Very low	116 Å²	116	144 Å²	144	71%	0.712	78%	0.78	S	S	*	*			trans	-66.4	151.2	178.2	48.7	0	0	0	0	114.6
334	S	24.5	Very low	26.1	Very low	117 Å²	117	141 Å²	141	82%	0.818	77%	0.773	S	S	*	*			trans	-5.6	145.7	150.2	-50	0	0	0	0	120.3
335	T	20.8	Very low	26.1	Very low	123 Å²	123	143.5 Å²	143.5	76%	0.755	78%	0.775	S	S	*	*			trans	-145.1	146.1	148.9	-38.4	0	0	0	0	111
336	Y	24	Very low	27.1	Very low	208 Å²	208	140.3 Å²	140.3	82%	0.816	76%	0.763	S	S	*	*			trans	103.7	79.2	171.2	-69.9	-84	0	0	0	119.1
337	S	26.8	Very low	27	Very low	87 Å²	87	141.9 Å²	141.9	61%	0.608	76%	0.763	S	S	*	*				35.3	126.5	118.6	55.9	0	0	0	0	123.1
338	H	27.7	Very low	27	Very low	165 Å²	165	142.1 Å²	142.1	76%	0.764	76%	0.764	S	S	*	*			trans	63.3	137.2	138.9	-73.3	-79.7	0	0	0	118.5
339	M	25.9	Very low	27	Very low	150 Å²	150	142.1 Å²	142.1	74%	0.739	76%	0.763	S	S	*	*			cis	-159.2	151.2	49.4	-69.7	-75.8	166.3	0	0	112.2
340	D	25.6	Very low	27	Very low	135 Å²	135	139.5 Å²	139.5	72%	0.722	76%	0.757	S	S	*	*			trans	30.2	134.6	141.9	-51.2	-28.6	0	0	0	120.5
341	T	26.3	Very low	26.8	Very low	125 Å²	125	138.6 Å²	138.6	77%	0.767	75%	0.754	S	S	*	*				175.2	110.8	74.2	-58.5	0	0	0	0	106.3
342	E	25.6	Very low	26.8	Very low	159 Å²	159	138.4 Å²	138.4	74%	0.743	75%	0.753	S	S	*	*				67.5	126.4	103.3	-79.5	-92.1	140.1	0	0	117.4
343	L	28.1	Very low	26.8	Very low	140 Å²	140	140.8 Å²	140.8	73%	0.733	75%	0.752	S	S	*	*			trans	100.9	105	143.3	-61.5	156.6	0	0	0	122
344	S	24.6	Very low	27.4	Very low	95 Å²	95	140.2 Å²	140.2	66%	0.664	75%	0.75	S	S	*	*				69	107.9	113.2	-52.8	0	0	0	0	122.1
345	H	26.1	Very low	27.4	Very low	184 Å²	184	143.1 Å²	143.1	85%	0.852	75%	0.751	S	S	*	*				23.3	165.2	122	-76.3	-47.2	0	0	0	121.8
346	P	46.4	Very low	27.7	Very low	96 Å²	96	141.5 Å²	141.5	62%	0.623	75%	0.75	S	S	*	*			cis	-146	-175.6	-32.1	39.5	-20.2	0	0	0	114.7
347	N	26.3	Very low	27.8	Very low	139 Å²	139	139.9 Å²	139.9	74%	0.743	75%	0.754	S	S	*	*			trans	61	127.8	147.2	-76.9	-4.7	0	0	0	122
348	Y	27.7	Very low	27.7	Very low	230 Å²	230	142.1 Å²	142.1	90%	0.902	77%	0.765	S	S	*	*				-158	152.2	111.7	-133.5	-99.9	0	0	0	114.1
349	L	27.4	Very low	27.9	Very low	157 Å²	157	140 Å²	140	82%	0.822	77%	0.766	S	S	*	*			trans	-96.5	163.4	-165.7	-135.2	86	0	0	0	113
350	G	24.9	Very low	27.8	Very low	62 Å²	62	139.6 Å²	139.6	64%	0.639	77%	0.772	S	S	*	*			trans	117	103.6	146.7	0	0	0	0	0	115.3
351	S	26	Very low	27.8	Very low	106 Å²	106	138.4 Å²	138.4	74%	0.741	77%	0.774	S	S	*	*				88.2	141.2	89.4	87.4	0	0	0	0	110.8
352	D	25.7	Very low	27.9	Very low	148 Å²	148	139 Å²	139	79%	0.791	78%	0.78	S	S	*	*			cis	-158.1	165	24	-84.1	-58.8	0	0	0	111.5
353	Y	25.6	Very low	27.9	Very low	214 Å²	214	136.4 Å²	136.4	84%	0.839	78%	0.78	S	S	*	*			trans	-63.3	180	-179.5	-95.5	-103.8	0	0	0	116
354	P	38.9	Very low	27.9	Very low	104 Å²	104	141 Å²	141	68%	0.675	79%	0.787	S	S	*	*			cis	-146.9	166.1	22.9	37.5	-13.9	0	0	0	121.2
355	Q	25.7	Very low	28	Very low	179 Å²	179	146.5 Å²	146.5	84%	0.836	80%	0.799	S	S	*	*			trans	46.4	124.2	142.9	-75.6	169	-71.4	0	0	122.5
356	A	25.9	Very low	27.9	Very low	88 Å²	88	143.1 Å²	143.1	73%	0.727	80%	0.797	S	S	*	*				-175.8	123.4	111.8	0	0	0	0	0	114.4
357	L	26.6	Very low	27.6	Very low	174 Å²	174	144.2 Å²	144.2	91%	0.911	80%	0.804	S	S	*	*			trans	76.9	119.3	141.6	-56.9	169.1	0	0	0	122.1
358	T	24.7	Very low	27.5	Very low	134 Å²	134	143.2 Å²	143.2	82%	0.822	80%	0.803	S	S	*	*			trans	-88.2	-175	159.9	57.2	0	0	0	0	110.8
359	P	32.2	Very low	27.7	Very low	121 Å²	121	140.1 Å²	140.1	79%	0.786	80%	0.801	S	S	*	*				-110.2	149.3	-101.4	31	-11	0	0	0	112.8
360	T	23.7	Very low	28	Very low	141 Å²	141	139.9 Å²	139.9	87%	0.865	80%	0.795	S	S	*	*			trans	-115	120.5	163.8	48.7	0	0	0	0	110.2
361	S	25.6	Very low	28.4	Very low	110 Å²	110	139.2 Å²	139.2	77%	0.769	79%	0.788	S	S	*	*			trans	-37.5	144.1	172.1	37.8	0	0	0	0	116.1
362	P	28.1	Very low	29	Very low	137 Å²	137	142.4 Å²	142.4	89%	0.89	80%	0.796	S	S	*	*			trans	-85.8	125.2	170.9	32.9	-27.5	0	0	0	110.3
363	S	24.8	Very low	29.5	Very low	106 Å²	106	140.6 Å²	140.6	74%	0.741	78%	0.784	S	S	*	*			trans	-111.3	117.8	163.2	59.9	0	0	0	0	110.1
364	R	29.3	Very low	30.4	Very low	235 Å²	235	132.5 Å²	132.5	89%	0.887	77%	0.765	S	S	*	*			trans	53.4	97.2	149.2	-95.5	-177.8	-87.4	-142.2	-5.3	117.8
365	F	26.4	Very low	30.8	Very low	211 Å²	211	132.1 Å²	132.1	93%	0.925	76%	0.758	S	S	*	*			trans	-145	110.1	133.6	-88.1	-82.1	0	0	0	108.8
366	S	25	Very low	31.8	Very low	113 Å²	113	130.8 Å²	130.8	79%	0.79	76%	0.757	S	S	*	*			trans	-98.2	161.6	136.4	-71.5	0	0	0	0	105.8
367	P	38.5	Very low	33.1	Very low	119 Å²	119	131.6 Å²	131.6	77%	0.773	75%	0.748	S	S	*	*			cis	-128.7	174.8	17.8	29.8	-5.5	0	0	0	112.1
368	V	25.6	Very low	34.9	Very low	119 Å²	119	124.7 Å²	124.7	72%	0.721	71%	0.712	S	S	*	*				-167.2	138.8	89.2	162.8	0	0	0	0	109.8
369	L	31.2	Very low	36.9	Very low	164 Å²	164	122.6 Å²	122.6	86%	0.859	70%	0.701	S	S	*	*			trans	-74.3	120.7	167.6	-158	110.4	0	0	0	108.5
370	H	33.9	Very low	39.2	Very low	152 Å²	152	122.9 Å²	122.9	70%	0.704	69%	0.686	S	S	*	*			trans	-111.2	86.1	164.3	-116	-83.4	0	0	0	109.1
371	G	34.1	Very low	42.1	Very low	48 Å²	48	123.3 Å²	123.3	50%	0.495	68%	0.679	S	S	.	*			trans	-95.8	148.3	150.3	0	0	0	0	0	108.4
372	L	37.8	Very low	45.2	Very low	174 Å²	174	121.6 Å²	121.6	91%	0.911	67%	0.665	S	S	*	*			trans	72.1	82	166.1	-47.3	174	0	0	0	115.1
373	M	36.5	Very low	48.3	Very low	110 Å²	110	117.2 Å²	117.2	54%	0.542	63%	0.631	S	S	.	*			trans	-112.9	128.6	142.7	-60.1	-155.5	94.8	0	0	106.5	D377	M373-D377 HydrophobicContact CB-CB 4.24Å; M373-D377 HydrophobicContact CE-CB 3.68Å
374	G	43.6	Very low	51.5	Low	43 Å²	43	121.7 Å²	121.7	44%	0.443	63%	0.631	S	S	.	*			trans	-65.1	157.3	168.3	0	0	0	0	0	109.4	D376 D377	G374-D376 PolarHBondContact O-N 3.44Å; G374-D377 PolarHBondContact O-N 2.8Å
375	D	47.4	Very low	54.6	Low	96 Å²	96	110.5 Å²	110.5	51%	0.513	59%	0.589	S	S	.	*	T	Hydrogen-bonded Turn	trans	-56.2	-17.1	177.4	-155.8	26.3	0	0	0	112.7	Y463	D375-Y463 VanDerWaalsContact OD1-CE1 3.3Å; D375-Y463 WeakPolarHBondContact OD1-CE1 3.29Å; D375-Y463 PolarHBondContact OD1-OH 2.97Å
376	D	46.8	Very low	57.7	Low	152 Å²	152	104.8 Å²	104.8	81%	0.813	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.2	-11.9	177	-73.8	-44.4	0	0	0	115.5	G374	G374-D376 PolarHBondContact O-N 3.44Å
377	D	52.4	Low	61	Low	104 Å²	104	99.5 Å²	99.5	56%	0.556	53%	0.531	S	S	*	.	S	Bend	trans	-98.7	-2.4	-177.5	-79.3	-37.6	0	0	0	114.2	M373 G374 P379	M373-D377 HydrophobicContact CB-CB 4.24Å; M373-D377 HydrophobicContact CE-CB 3.68Å; G374-D377 PolarHBondContact O-N 2.8Å; D377-P379 WeakPolarHBondContact O-CD 3.42Å
378	I	65.9	Low	63.4	Low	29 Å²	29	99.5 Å²	99.5	15%	0.149	52%	0.52	C	S	.	.	S	Bend	trans	-81	121.7	178.7	-59.8	169.9	0	0	0	109.1	R380 Y463	I378-R380 PolarHBondContact O-N 3.42Å; I378-R380 VanDerWaalsContact O-N 3.11Å; I378-Y463 HydrophobicContact CB-CD1 3.8Å; I378-Y463 HydrophobicContact CB-CE1 4.17Å; I378-Y463 HydrophobicContact CD1-CD1 4.07Å; I378-Y463 HydrophobicContact CD1-CE1 3.7Å; I378-Y463 HydrophobicContact CG2-CD1 3.59Å; I378-Y463 HydrophobicContact CG2-CE1 4.33Å; I378-Y463 HydrophobicContact CG2-CG 3.8Å
379	P	66.7	Low	66.4	Low	90 Å²	90	97.2 Å²	97.2	58%	0.584	50%	0.498	S	S	*	.			trans	-58	121.1	177.9	-21.9	31.5	0	0	0	110.6	D377 E381 R383	D377-P379 WeakPolarHBondContact O-CD 3.42Å; P379-E381 PolarHBondContact O-N 3.1Å; P379-R383 PolarHBondContact O-NH1 2.56Å
380	R	80.6	Confident	68.9	Low	127 Å²	127	90.8 Å²	90.8	48%	0.479	47%	0.472	S	S	.	.			trans	-74.6	0.9	175	-64.5	-171.3	179.3	-125.2	0.7	112.8	I378 Q462 E466	I378-R380 PolarHBondContact O-N 3.42Å; I378-R380 VanDerWaalsContact O-N 3.11Å; R380-Q462 VanDerWaalsContact O-CG 3.26Å; R380-Q462 WeakPolarHBondContact O-CG 3.36Å; R380-Q462 PolarHBondContact O-NE2 3.01Å; R380-E466 IonicContact CZ-OE1 3.63Å; R380-E466 VanDerWaalsContact CZ-OE1 3.27Å; R380-E466 IonicContact CZ-OE2 3.71Å; R380-E466 IonicContact NH1-OE1 3.65Å; R380-E466 PolarHBondContact NH1-OE1 3.34Å; R380-E466 IonicContact NH1-OE2 2.84Å; R380-E466 PolarHBondContact NH1-OE2 3.26Å; R380-E466 IonicContact NH2-OE1 3.9Å; R380-E466 PolarHBondContact NH2-OE1 2.78Å; R380-E466 IonicContact NH2-OE2 3.85Å
381	E	84.3	Confident	70.9	Confident	151 Å²	151	89.9 Å²	89.9	71%	0.706	48%	0.483	S	S	*	.	S	Bend	trans	-79.7	147.5	176.3	-64	-173.9	177.6	0	0	111.4	P379 R383	P379-E381 PolarHBondContact O-N 3.1Å; E381-R383 PolarHBondContact O-N 3.08Å
382	P	90.6	Very high	72.9	Confident	74 Å²	74	92.7 Å²	92.7	48%	0.481	49%	0.49	S	S	.	.			trans	-56.7	124.8	172.7	-27.4	36.8	0	0	0	112.7	L431 I460 A461 Q462	P382-L431 HydrophobicContact CB-CD1 3.86Å; P382-L431 HydrophobicContact CG-CD1 3.81Å; P382-I460 HydrophobicContact CB-CG2 3.91Å; P382-A461 CarbonylContact C-O 3.59Å; P382-A461 WeakPolarHBondContact CA-O 3.44Å; P382-Q462 HydrophobicContact CG-CB 4.46Å; P382-Q462 HydrophobicContact CG-CG 4.37Å
383	R	92.7	Very high	75.2	Confident	45 Å²	45	85.4 Å²	85.4	17%	0.17	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	139	179.4	53.3	178.3	174.5	-95.5	4.1	111.9	P379 E381 V385 E423 H425 D428 I460 A461	P379-R383 PolarHBondContact O-NH1 2.56Å; E381-R383 PolarHBondContact O-N 3.08Å; R383-V385 HydrophobicContact CG-CG2 4.17Å; R383-E423 PolarHBondContact NE-O 2.82Å; R383-H425 PolarHBondContact NH2-ND1 2.84Å; R383-D428 IonicContact CZ-OD1 2.64Å; R383-D428 IonicContact CZ-OD2 3.11Å; R383-D428 IonicContact NE-OD2 2.62Å; R383-D428 IonicContact NH2-OD1 3.17Å; R383-D428 PolarHBondContact NH2-OD1 2.8Å; R383-D428 IonicContact NH2-OD2 2.84Å; R383-D428 PolarHBondContact NH2-OD2 3.5Å; R383-I460 CarbonylContact O-C 3.52Å; R383-I460 VanDerWaalsContact O-CA 3.27Å; R383-I460 WeakPolarHBondContact O-CA 3.4Å; R383-A461 VanDerWaalsContact CG-O 3.26Å; R383-A461 WeakPolarHBondContact CG-O 3.43Å; R383-A461 PolarHBondContact N-O 3.32Å; R383-A461 PolarHBondContact O-N 2.91Å
384	R	92.9	Very high	77.7	Confident	199 Å²	199	80.9 Å²	80.9	75%	0.751	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.9	105.4	177	-169	-178.1	86.4	169.4	5.1	110	T458 I459 I460	R384-T458 HydrophobicContact CG-CG2 3.47Å; R384-T458 VanDerWaalsContact CG-CG2 3.47Å; R384-I459 CarbonylContact C-O 3.53Å; R384-I459 WeakPolarHBondContact CA-O 3.35Å; R384-I460 HydrophobicContact CB-CG1 4.47Å; R384-I460 HydrophobicContact CG-CG1 4.29Å
385	V	93.3	Very high	79.6	Confident	0 Å²	0	79.3 Å²	79.3	0%	0	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	135.1	-176.9	-178.1	0	0	0	0	110.2	R383 I387 E423 L424 T458 I459	R383-V385 HydrophobicContact CG-CG2 4.17Å; V385-I387 HydrophobicContact CG1-CD1 4.06Å; V385-I387 HydrophobicContact CG1-CG1 3.8Å; V385-E423 WeakPolarHBondContact CA-OE2 3.3Å; V385-E423 HydrophobicContact CB-CB 4.37Å; V385-E423 HydrophobicContact CG1-CB 3.78Å; V385-E423 WeakPolarHBondContact CG1-OE2 3.43Å; V385-E423 HydrophobicContact CG2-CB 3.75Å; V385-L424 HydrophobicContact CB-CD2 4.28Å; V385-L424 HydrophobicContact CG1-CD2 4.32Å; V385-L424 HydrophobicContact CG1-CG 4.15Å; V385-L424 HydrophobicContact CG2-CD2 3.95Å; V385-T458 CarbonylContact O-C 3.57Å; V385-T458 WeakPolarHBondContact O-CA 3.48Å; V385-I459 PolarHBondContact N-O 3.07Å; V385-I459 PolarHBondContact O-N 2.98Å
386	L	92.7	Very high	81.7	Confident	92 Å²	92	75.9 Å²	75.9	48%	0.482	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	118.9	176.2	-168.1	76.3	0	0	0	109.9	T456 T458	L386-T456 HydrophobicContact CD1-CG2 3.55Å; L386-T456 HydrophobicContact CD2-CG2 4.24Å; L386-T456 HydrophobicContact CG-CG2 3.93Å; L386-T458 WeakPolarHBondContact CD1-OG1 3.25Å
387	I	93.3	Very high	83.7	Confident	2 Å²	2	73 Å²	73	1%	0.01	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	131.2	-178.8	-56	-172.4	0	0	0	110.1	V385 L394 F396 P417 A418 L424 V457 I459	V385-I387 HydrophobicContact CG1-CD1 4.06Å; V385-I387 HydrophobicContact CG1-CG1 3.8Å; I387-L394 HydrophobicContact CB-CD2 4.29Å; I387-L394 HydrophobicContact CG2-CD2 3.77Å; I387-F396 HydrophobicContact CD1-CE1 4.39Å; I387-P417 HydrophobicContact CG2-CB 3.84Å; I387-A418 HydrophobicContact CD1-CB 3.98Å; I387-L424 HydrophobicContact CD1-CD1 3.29Å; I387-L424 HydrophobicContact CD1-CG 4.03Å; I387-V457 PolarHBondContact N-O 3.08Å; I387-V457 PolarHBondContact O-N 2.82Å; I387-I459 HydrophobicContact CD1-CD1 4.17Å
388	H	89.4	Confident	85.5	Confident	119 Å²	119	69.4 Å²	69.4	55%	0.551	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.1	127.9	169.7	-70.3	-79.5	0	0	0	110.1	G390 P417 Q455 T456	H388-G390 PolarHBondContact O-N 3.39Å; H388-P417 VanDerWaalsContact O-CB 3.23Å; H388-P417 WeakPolarHBondContact O-CB 3.34Å; H388-Q455 WeakPolarHBondContact CA-O 3.22Å; H388-T456 PolarHBondContact CE1-OG1 3.3Å; H388-T456 PolarHBondContact ND1-OG1 2.97Å
389	R	89.2	Confident	86.4	Confident	70 Å²	70	70.1 Å²	70.1	26%	0.264	37%	0.37	S	S	.	.			trans	-67.8	127	-178.6	-174.3	178.9	-73.4	-159.8	2.5	110.6	L394 L450 K451 G454 Q455	R389-L394 HydrophobicContact CB-CD2 4.13Å; R389-L394 HydrophobicContact CG-CD2 4.47Å; R389-L450 PolarHBondContact NH2-O 2.89Å; R389-K451 PolarHBondContact NH1-O 3.39Å; R389-K451 VanDerWaalsContact NH1-O 3.17Å; R389-K451 VanDerWaalsContact NH2-C 3.35Å; R389-K451 PolarHBondContact NH2-O 3.13Å; R389-G454 PolarHBondContact NE-O 3.31Å; R389-Q455 PolarHBondContact N-O 3.32Å
390	G	81.8	Confident	87.4	Confident	30 Å²	30	66.3 Å²	66.3	31%	0.309	35%	0.347	S	S	.	.	B	Isolated β-bridge	trans	-88.5	179.5	173.5	0	0	0	0	0	113	H388 T392 G393	H388-G390 PolarHBondContact O-N 3.39Å; G390-T392 PolarHBondContact O-N 3.34Å; G390-G393 PolarHBondContact N-O 2.81Å; G390-G393 PolarHBondContact O-N 2.98Å
391	S	77.7	Confident	87.6	Confident	133 Å²	133	60.8 Å²	60.8	93%	0.93	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-24.8	178.1	54.6	0	0	0	0	113.6
392	T	74.5	Confident	87.4	Confident	106 Å²	106	59.4 Å²	59.4	65%	0.65	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.6	7.6	177.9	55.2	0	0	0	0	113.6	G390	G390-T392 PolarHBondContact O-N 3.34Å
393	G	87.1	Confident	86.7	Confident	21 Å²	21	63 Å²	63	22%	0.216	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	101.9	-148	-177	0	0	0	0	0	113.1	G390	G390-G393 PolarHBondContact N-O 2.81Å; G390-G393 PolarHBondContact O-N 2.98Å
394	L	88.1	Confident	85.7	Confident	16 Å²	16	63 Å²	63	8%	0.084	35%	0.352	C	S	.	.	S	Bend	trans	-88.4	-13.1	-177	-63.2	170.8	0	0	0	113.6	I387 R389 F396 A418 L450 V457	I387-L394 HydrophobicContact CB-CD2 4.29Å; I387-L394 HydrophobicContact CG2-CD2 3.77Å; R389-L394 HydrophobicContact CB-CD2 4.13Å; R389-L394 HydrophobicContact CG-CD2 4.47Å; L394-F396 HydrophobicContact CB-CD1 3.88Å; L394-F396 HydrophobicContact CB-CE1 3.51Å; L394-F396 HydrophobicContact CB-CZ 4.34Å; L394-F396 HydrophobicContact CD1-CE1 3.99Å; L394-F396 HydrophobicContact CD1-CZ 4.11Å; L394-F396 HydrophobicContact CG-CE1 4.36Å; L394-A418 VanDerWaalsContact O-CB 3.23Å; L394-A418 WeakPolarHBondContact O-CB 3.29Å; L394-A418 PolarHBondContact O-N 3.17Å; L394-L450 HydrophobicContact CD1-CD2 3.86Å; L394-V457 HydrophobicContact CD1-CB 4.46Å; L394-V457 HydrophobicContact CD1-CG1 4.23Å; L394-V457 HydrophobicContact CD1-CG2 4.23Å; L394-V457 HydrophobicContact CD2-CB 4.07Å; L394-V457 HydrophobicContact CD2-CG2 3.72Å
395	G	85.1	Confident	85.3	Confident	9 Å²	9	56.5 Å²	56.5	9%	0.093	33%	0.33	C	S	.	.	S	Bend	trans	80.5	28.5	174.8	0	0	0	0	0	115.4	L413	G395-L413 WeakPolarHBondContact O-CB 3.43Å; G395-L413 PolarHBondContact O-N 3.08Å
396	F	90.9	Very high	85.1	Confident	25 Å²	25	56.9 Å²	56.9	11%	0.11	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	158	171.7	65.4	-92.5	0	0	0	111.8	I387 L394 I398 I409 F411 I412 A418 L424 I430 L450 I459	I387-F396 HydrophobicContact CD1-CE1 4.39Å; L394-F396 HydrophobicContact CB-CD1 3.88Å; L394-F396 HydrophobicContact CB-CE1 3.51Å; L394-F396 HydrophobicContact CB-CZ 4.34Å; L394-F396 HydrophobicContact CD1-CE1 3.99Å; L394-F396 HydrophobicContact CD1-CZ 4.11Å; L394-F396 HydrophobicContact CG-CE1 4.36Å; F396-I398 HydrophobicContact CD2-CG2 3.91Å; F396-I398 HydrophobicContact CE2-CG2 3.62Å; F396-I409 HydrophobicContact CB-CG2 4.1Å; F396-I409 HydrophobicContact CD2-CD1 4.1Å; F396-I409 HydrophobicContact CD2-CG1 4.03Å; F396-I409 HydrophobicContact CD2-CG2 4.36Å; F396-I409 HydrophobicContact CE2-CD1 4.35Å; F396-I409 HydrophobicContact CE2-CG1 4.35Å; F396-I409 HydrophobicContact CG-CD1 4.44Å; F396-F411 CarbonylContact C-O 3.53Å; F396-F411 WeakPolarHBondContact CA-O 3.48Å; F396-F411 VanDerWaalsContact CB-O 3.27Å; F396-F411 WeakPolarHBondContact CB-O 3.39Å; F396-I412 HydrophobicContact CB-CG1 4.18Å; F396-A418 HydrophobicContact CB-CB 4.3Å; F396-A418 HydrophobicContact CD1-CB 3.68Å; F396-A418 HydrophobicContact CG-CB 4.45Å; F396-L424 HydrophobicContact CD1-CD1 3.99Å; F396-L424 HydrophobicContact CE1-CD1 3.89Å; F396-L424 HydrophobicContact CZ-CD1 4.47Å; F396-I430 HydrophobicContact CE2-CD1 3.84Å; F396-I430 HydrophobicContact CZ-CD1 4.38Å; F396-L450 HydrophobicContact CE2-CD1 4.16Å; F396-L450 HydrophobicContact CE2-CD2 4.46Å; F396-L450 HydrophobicContact CZ-CD1 4.35Å; F396-L450 HydrophobicContact CZ-CD2 3.86Å; F396-I459 HydrophobicContact CE1-CD1 3.85Å; F396-I459 HydrophobicContact CZ-CD1 3.66Å
397	N	88.3	Confident	85.1	Confident	92 Å²	92	52.5 Å²	52.5	49%	0.492	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	145.1	176.5	-65.7	-7.5	0	0	0	111	I409 S410 F411	N397-I409 WeakPolarHBondContact O-CA 3.35Å; N397-S410 PolarHBondContact O-N 2.8Å; N397-S410 PolarHBondContact O-OG 2.88Å; N397-F411 HydrophobicContact CB-CB 4.12Å; N397-F411 PolarHBondContact N-O 3.08Å
398	I	90.7	Very high	85.2	Confident	28 Å²	28	52.5 Å²	52.5	14%	0.144	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	149.1	175.9	61	160.2	0	0	0	112.1	F396 I407 F408 I430 A446 A447 L450	F396-I398 HydrophobicContact CD2-CG2 3.91Å; F396-I398 HydrophobicContact CE2-CG2 3.62Å; I398-I407 HydrophobicContact CB-CG2 4.04Å; I398-I407 HydrophobicContact CD1-CG2 4.04Å; I398-I407 HydrophobicContact CG2-CG2 4.26Å; I398-F408 CarbonylContact C-O 3.58Å; I398-F408 WeakPolarHBondContact CA-O 3.43Å; I398-I430 HydrophobicContact CG2-CD1 3.64Å; I398-A446 HydrophobicContact CD1-CB 4Å; I398-A447 HydrophobicContact CD1-CB 4.45Å; I398-L450 HydrophobicContact CD1-CD1 3.93Å; I398-L450 HydrophobicContact CG2-CD1 3.96Å
399	V	85.1	Confident	85.3	Confident	43 Å²	43	46.9 Å²	46.9	26%	0.261	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	165.8	175.3	-66.4	0	0	0	0	109.7	F408 Y468 F471	V399-F408 HydrophobicContact CG2-CB 4.21Å; V399-F408 PolarHBondContact N-O 2.85Å; V399-F408 PolarHBondContact O-N 2.86Å; V399-Y468 HydrophobicContact CG2-CE2 3.93Å; V399-F471 HydrophobicContact CB-CE1 3.85Å; V399-F471 HydrophobicContact CB-CZ 4.24Å; V399-F471 HydrophobicContact CG2-CD1 4.23Å; V399-F471 HydrophobicContact CG2-CE1 3.56Å; V399-F471 HydrophobicContact CG2-CZ 4.34Å
400	G	86.9	Confident	85.1	Confident	11 Å²	11	44.7 Å²	44.7	11%	0.113	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	90.3	-169	-178.7	0	0	0	0	0	113.7	G406 H443	G400-G406 WeakPolarHBondContact CA-O 3.34Å; G400-H443 WeakPolarHBondContact O-CB 3.48Å; G400-H443 PolarHBondContact O-ND1 3.24Å
401	G	84.5	Confident	85.2	Confident	11 Å²	11	48 Å²	48	11%	0.113	29%	0.287	C	S	.	.			trans	87.8	12.7	-173.6	0	0	0	0	0	115	E405 G406 T442	G401-E405 VanDerWaalsContact CA-O 3.31Å; G401-E405 WeakPolarHBondContact CA-O 3.45Å; G401-E405 PolarHBondContact N-O 2.79Å; G401-G406 PolarHBondContact N-O 3.47Å; G401-T442 WeakPolarHBondContact O-CA 3.45Å
402	E	79.9	Confident	85.4	Confident	122 Å²	122	43.2 Å²	43.2	57%	0.57	25%	0.251	S	S	*	.	S	Bend	trans	-102.4	140.1	172.9	-170.6	170.8	-155.7	0	0	109	G404 E405	E402-G404 PolarHBondContact O-N 3.35Å; E402-E405 VanDerWaalsContact O-CB 3.27Å; E402-E405 WeakPolarHBondContact O-CB 3.19Å; E402-E405 WeakPolarHBondContact O-CG 3.35Å; E402-E405 PolarHBondContact O-N 3.07Å
403	D	76.3	Confident	85.4	Confident	149 Å²	149	41.7 Å²	41.7	80%	0.797	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.5	26.2	-179.8	-61.3	-31.2	0	0	0	116.7
404	G	71.9	Confident	84.8	Confident	44 Å²	44	44.7 Å²	44.7	45%	0.454	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	82	10.6	-178.9	0	0	0	0	0	114.6	E402	E402-G404 PolarHBondContact O-N 3.35Å
405	E	84.3	Confident	84.2	Confident	63 Å²	63	46.5 Å²	46.5	29%	0.294	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-66.8	146.1	168.5	-62.7	-74.2	175.4	0	0	110.9	G401 E402 F471 K474	G401-E405 VanDerWaalsContact CA-O 3.31Å; G401-E405 WeakPolarHBondContact CA-O 3.45Å; G401-E405 PolarHBondContact N-O 2.79Å; E402-E405 VanDerWaalsContact O-CB 3.27Å; E402-E405 WeakPolarHBondContact O-CB 3.19Å; E402-E405 WeakPolarHBondContact O-CG 3.35Å; E402-E405 PolarHBondContact O-N 3.07Å; E405-F471 HydrophobicContact CB-CD2 4.43Å; E405-F471 HydrophobicContact CB-CE2 4.5Å; E405-F471 HydrophobicContact CG-CD2 4.46Å; E405-K474 IonicContact OE1-NZ 2.78Å; E405-K474 PolarHBondContact OE1-NZ 2.73Å
406	G	88.6	Confident	84.1	Confident	8 Å²	8	46.2 Å²	46.2	8%	0.082	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-63.1	162.5	177.8	0	0	0	0	0	113.8	G400 G401 F408	G400-G406 WeakPolarHBondContact CA-O 3.34Å; G401-G406 PolarHBondContact N-O 3.47Å; G406-F408 WeakPolarHBondContact O-CD2 3.28Å; G406-F408 WeakPolarHBondContact O-CE2 3.17Å
407	I	94.6	Very high	84	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	119.8	171.3	-56.8	-67.5	0	0	0	108.8	I398 Q429 I430 A446	I398-I407 HydrophobicContact CB-CG2 4.04Å; I398-I407 HydrophobicContact CD1-CG2 4.04Å; I398-I407 HydrophobicContact CG2-CG2 4.26Å; I407-Q429 CarbonylContact O-C 3.54Å; I407-Q429 VanDerWaalsContact O-CA 3.31Å; I407-Q429 WeakPolarHBondContact O-CA 3.5Å; I407-I430 HydrophobicContact CG2-CB 4.37Å; I407-I430 HydrophobicContact CG2-CD1 4.35Å; I407-I430 PolarHBondContact O-N 2.85Å; I407-A446 HydrophobicContact CB-CB 4.43Å; I407-A446 HydrophobicContact CD1-CB 3.68Å; I407-A446 HydrophobicContact CG1-CB 3.71Å; I407-A446 HydrophobicContact CG2-CB 3.99Å
408	F	94.4	Very high	84	Confident	3 Å²	3	41.9 Å²	41.9	1%	0.013	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	150.9	-176.4	-62.1	-88.8	0	0	0	113.2	I398 V399 G406 D428 Q429 R464 E467 Y468	I398-F408 CarbonylContact C-O 3.58Å; I398-F408 WeakPolarHBondContact CA-O 3.43Å; V399-F408 HydrophobicContact CG2-CB 4.21Å; V399-F408 PolarHBondContact N-O 2.85Å; V399-F408 PolarHBondContact O-N 2.86Å; G406-F408 WeakPolarHBondContact O-CD2 3.28Å; G406-F408 WeakPolarHBondContact O-CE2 3.17Å; F408-D428 CarbonylContact C-O 3.55Å; F408-D428 VanDerWaalsContact CA-O 3.24Å; F408-D428 WeakPolarHBondContact CA-O 3.49Å; F408-Q429 HydrophobicContact CD1-CB 3.83Å; F408-Q429 HydrophobicContact CD1-CG 4.27Å; F408-Q429 HydrophobicContact CE1-CB 3.66Å; F408-Q429 HydrophobicContact CE1-CG 3.98Å; F408-Q429 HydrophobicContact CZ-CB 4.41Å; F408-Q429 HydrophobicContact CZ-CG 4.25Å; F408-R464 HydrophobicContact CE1-CB 4.34Å; F408-E467 HydrophobicContact CE1-CB 4.19Å; F408-E467 HydrophobicContact CZ-CB 4.05Å; F408-Y468 HydrophobicContact CB-CD2 3.46Å; F408-Y468 VanDerWaalsContact CB-CD2 3.46Å; F408-Y468 HydrophobicContact CB-CE2 3.85Å; F408-Y468 HydrophobicContact CD1-CD2 4.01Å; F408-Y468 HydrophobicContact CD2-CD2 4.48Å; F408-Y468 AromaticContact CG-CD2 3.76Å; F408-Y468 HydrophobicContact CG-CD2 3.76Å
409	I	92	Very high	83.7	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	118.8	169.8	-59.7	-177	0	0	0	109.4	F396 N397 I412 L424 G427 D428 I430	F396-I409 HydrophobicContact CB-CG2 4.1Å; F396-I409 HydrophobicContact CD2-CD1 4.1Å; F396-I409 HydrophobicContact CD2-CG1 4.03Å; F396-I409 HydrophobicContact CD2-CG2 4.36Å; F396-I409 HydrophobicContact CE2-CD1 4.35Å; F396-I409 HydrophobicContact CE2-CG1 4.35Å; F396-I409 HydrophobicContact CG-CD1 4.44Å; N397-I409 WeakPolarHBondContact O-CA 3.35Å; I409-I412 HydrophobicContact CG2-CD1 4.45Å; I409-I412 HydrophobicContact CG2-CG1 3.94Å; I409-L424 HydrophobicContact CD1-CB 4.07Å; I409-L424 HydrophobicContact CD1-CD1 3.79Å; I409-L424 HydrophobicContact CD1-CD2 3.95Å; I409-L424 HydrophobicContact CD1-CG 4.16Å; I409-G427 PolarHBondContact O-N 2.93Å; I409-D428 HydrophobicContact CB-CB 4.42Å; I409-D428 HydrophobicContact CD1-CB 4.01Å; I409-D428 HydrophobicContact CG1-CB 4.25Å; I409-D428 PolarHBondContact N-O 2.78Å; I409-I430 HydrophobicContact CD1-CD1 4.42Å; I409-I430 HydrophobicContact CD1-CG1 4.41Å; I409-I430 HydrophobicContact CG1-CD1 4Å; I409-I430 HydrophobicContact CG1-CG1 4.06Å
410	S	84.9	Confident	83.7	Confident	24 Å²	24	48.6 Å²	48.6	17%	0.168	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	-24.7	-179.9	54.4	0	0	0	0	114	N397 K426 Y468	N397-S410 PolarHBondContact O-N 2.8Å; N397-S410 PolarHBondContact O-OG 2.88Å; S410-K426 WeakPolarHBondContact O-CD 3.38Å; S410-K426 VanDerWaalsContact O-CE 3.22Å; S410-K426 WeakPolarHBondContact O-CE 3.44Å; S410-K426 WeakPolarHBondContact O-CG 3.31Å; S410-Y468 WeakPolarHBondContact CA-OH 3.24Å; S410-Y468 WeakPolarHBondContact CB-OH 3.03Å
411	F	82.9	Confident	83.6	Confident	101 Å²	101	49.9 Å²	49.9	44%	0.443	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	144.9	-175.5	176.9	-100.4	0	0	0	110.6	F396 N397 L413	F396-F411 CarbonylContact C-O 3.53Å; F396-F411 WeakPolarHBondContact CA-O 3.48Å; F396-F411 VanDerWaalsContact CB-O 3.27Å; F396-F411 WeakPolarHBondContact CB-O 3.39Å; N397-F411 HydrophobicContact CB-CB 4.12Å; N397-F411 PolarHBondContact N-O 3.08Å; F411-L413 HydrophobicContact CE1-CB 4.05Å; F411-L413 HydrophobicContact CE1-CD1 4.18Å
412	I	81.5	Confident	83.7	Confident	32 Å²	32	51.8 Å²	51.8	16%	0.164	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	128.5	172.5	-64.2	176	0	0	0	107.7	F396 I409 A414 A418 D419 L424	F396-I412 HydrophobicContact CB-CG1 4.18Å; I409-I412 HydrophobicContact CG2-CD1 4.45Å; I409-I412 HydrophobicContact CG2-CG1 3.94Å; I412-A414 PolarHBondContact O-N 3.02Å; I412-A418 HydrophobicContact CG2-CB 4.36Å; I412-D419 HydrophobicContact CG2-CB 3.79Å; I412-L424 VanDerWaalsContact CD1-C 3.41Å; I412-L424 HydrophobicContact CD1-CB 4.1Å; I412-L424 WeakPolarHBondContact CD1-O 3.41Å
413	L	75.8	Confident	84	Confident	73 Å²	73	50.4 Å²	50.4	38%	0.382	31%	0.314	S	S	.	.			trans	-77.7	115.5	-179.3	-179.5	67.9	0	0	0	109.8	G395 F411 G415 G416 D419	G395-L413 WeakPolarHBondContact O-CB 3.43Å; G395-L413 PolarHBondContact O-N 3.08Å; F411-L413 HydrophobicContact CE1-CB 4.05Å; F411-L413 HydrophobicContact CE1-CD1 4.18Å; L413-G415 PolarHBondContact O-N 2.8Å; L413-G416 WeakPolarHBondContact O-CA 3.37Å; L413-G416 PolarHBondContact O-N 3.49Å; L413-D419 WeakPolarHBondContact O-CB 3.21Å
414	A	74.5	Confident	84.7	Confident	84 Å²	84	43.6 Å²	43.6	69%	0.694	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	130.4	176.2	0	0	0	0	0	111.6	I412 G416 D419	I412-A414 PolarHBondContact O-N 3.02Å; A414-G416 PolarHBondContact O-N 2.95Å; A414-D419 WeakPolarHBondContact CA-OD2 3.19Å
415	G	75.8	Confident	85.6	Confident	54 Å²	54	44.7 Å²	44.7	56%	0.557	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.2	1.9	-173.8	0	0	0	0	0	115.1	L413 D419	L413-G415 PolarHBondContact O-N 2.8Å; G415-D419 PolarHBondContact N-OD2 3.23Å
416	G	81.9	Confident	85.9	Confident	4 Å²	4	46.6 Å²	46.6	4%	0.041	28%	0.278	C	S	.	.	S	Bend	trans	-83.5	168.7	175.5	0	0	0	0	0	113.1	L413 A414 A418 D419 L420	L413-G416 WeakPolarHBondContact O-CA 3.37Å; L413-G416 PolarHBondContact O-N 3.49Å; A414-G416 PolarHBondContact O-N 2.95Å; G416-A418 VanDerWaalsContact C-N 3.3Å; G416-A418 PolarHBondContact O-N 3.06Å; G416-D419 WeakPolarHBondContact O-CB 3.39Å; G416-D419 PolarHBondContact O-N 3.25Å; G416-L420 WeakPolarHBondContact O-CG 3.32Å; G416-L420 PolarHBondContact O-N 2.83Å
417	P	88	Confident	85.8	Confident	25 Å²	25	46.2 Å²	46.2	16%	0.162	28%	0.275	C	S	.	.	H	α-helix	trans	-59.3	-32.3	-174	-28	36.6	0	0	0	116.1	I387 H388 S421	I387-P417 HydrophobicContact CG2-CB 3.84Å; H388-P417 VanDerWaalsContact O-CB 3.23Å; H388-P417 WeakPolarHBondContact O-CB 3.34Å; P417-S421 PolarHBondContact O-N 2.86Å; P417-S421 VanDerWaalsContact O-N 3.13Å
418	A	88.8	Confident	85.8	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-76.8	-28.4	174.7	0	0	0	0	0	114.2	I387 L394 F396 I412 G416 S421 L424	I387-A418 HydrophobicContact CD1-CB 3.98Å; L394-A418 VanDerWaalsContact O-CB 3.23Å; L394-A418 WeakPolarHBondContact O-CB 3.29Å; L394-A418 PolarHBondContact O-N 3.17Å; F396-A418 HydrophobicContact CB-CB 4.3Å; F396-A418 HydrophobicContact CD1-CB 3.68Å; F396-A418 HydrophobicContact CG-CB 4.45Å; I412-A418 HydrophobicContact CG2-CB 4.36Å; G416-A418 VanDerWaalsContact C-N 3.3Å; G416-A418 PolarHBondContact O-N 3.06Å; A418-S421 PolarHBondContact O-OG 3.29Å; A418-L424 HydrophobicContact CB-CD1 4.1Å
419	D	85.8	Confident	85.8	Confident	77 Å²	77	46.8 Å²	46.8	41%	0.412	28%	0.277	S	S	.	.	H	α-helix	trans	-72.3	-43.6	171.8	-174.3	46.5	0	0	0	110.1	I412 L413 A414 G415 G416 S421 G422	I412-D419 HydrophobicContact CG2-CB 3.79Å; L413-D419 WeakPolarHBondContact O-CB 3.21Å; A414-D419 WeakPolarHBondContact CA-OD2 3.19Å; G415-D419 PolarHBondContact N-OD2 3.23Å; G416-D419 WeakPolarHBondContact O-CB 3.39Å; G416-D419 PolarHBondContact O-N 3.25Å; D419-S421 PolarHBondContact O-N 3.18Å; D419-G422 PolarHBondContact O-N 2.81Å
420	L	83.7	Confident	86	Confident	135 Å²	135	46.8 Å²	46.8	71%	0.707	28%	0.277	S	S	*	.	H	α-helix	trans	-65.8	-24.3	177.1	-66.1	174.4	0	0	0	113.5	G416	G416-L420 WeakPolarHBondContact O-CG 3.32Å; G416-L420 PolarHBondContact O-N 2.83Å
421	S	86.2	Confident	86.5	Confident	38 Å²	38	46.6 Å²	46.6	27%	0.266	27%	0.274	S	S	.	.	H	α-helix	trans	-75.5	-27.8	172.9	74.2	0	0	0	0	112.2	P417 A418 D419 E423	P417-S421 PolarHBondContact O-N 2.86Å; P417-S421 VanDerWaalsContact O-N 3.13Å; A418-S421 PolarHBondContact O-OG 3.29Å; D419-S421 PolarHBondContact O-N 3.18Å; S421-E423 PolarHBondContact O-N 3.41Å
422	G	85.1	Confident	87.2	Confident	51 Å²	51	42.5 Å²	42.5	53%	0.526	26%	0.258	S	S	.	.			trans	65	4	179.6	0	0	0	0	0	115.3	D419	D419-G422 PolarHBondContact O-N 2.81Å
423	E	87.3	Confident	87.8	Confident	94 Å²	94	41 Å²	41	44%	0.439	25%	0.251	S	S	.	.			trans	-103.2	-16	-173.8	-68.6	-172.7	159.2	0	0	113.5	R383 V385 S421	R383-E423 PolarHBondContact NE-O 2.82Å; V385-E423 WeakPolarHBondContact CA-OE2 3.3Å; V385-E423 HydrophobicContact CB-CB 4.37Å; V385-E423 HydrophobicContact CG1-CB 3.78Å; V385-E423 WeakPolarHBondContact CG1-OE2 3.43Å; V385-E423 HydrophobicContact CG2-CB 3.75Å; S421-E423 PolarHBondContact O-N 3.41Å
424	L	91.6	Very high	88.6	Confident	5 Å²	5	41 Å²	41	3%	0.026	25%	0.251	C	S	.	.			trans	-99.7	144.7	175	-68.2	-176.3	0	0	0	110.7	V385 I387 F396 I409 I412 A418 D428 I459 A461	V385-L424 HydrophobicContact CB-CD2 4.28Å; V385-L424 HydrophobicContact CG1-CD2 4.32Å; V385-L424 HydrophobicContact CG1-CG 4.15Å; V385-L424 HydrophobicContact CG2-CD2 3.95Å; I387-L424 HydrophobicContact CD1-CD1 3.29Å; I387-L424 HydrophobicContact CD1-CG 4.03Å; F396-L424 HydrophobicContact CD1-CD1 3.99Å; F396-L424 HydrophobicContact CE1-CD1 3.89Å; F396-L424 HydrophobicContact CZ-CD1 4.47Å; I409-L424 HydrophobicContact CD1-CB 4.07Å; I409-L424 HydrophobicContact CD1-CD1 3.79Å; I409-L424 HydrophobicContact CD1-CD2 3.95Å; I409-L424 HydrophobicContact CD1-CG 4.16Å; I412-L424 VanDerWaalsContact CD1-C 3.41Å; I412-L424 HydrophobicContact CD1-CB 4.1Å; I412-L424 WeakPolarHBondContact CD1-O 3.41Å; A418-L424 HydrophobicContact CB-CD1 4.1Å; L424-D428 WeakPolarHBondContact CA-OD2 3.44Å; L424-I459 HydrophobicContact CD1-CD1 4.24Å; L424-A461 HydrophobicContact CD2-CB 3.74Å
425	H	90.9	Very high	89.2	Confident	67 Å²	67	40.4 Å²	40.4	31%	0.31	25%	0.253	S	S	.	.			trans	-132.8	152.7	-179.5	-60.3	92.3	0	0	0	111.2	R383 G427 D428 Y463	R383-H425 PolarHBondContact NH2-ND1 2.84Å; H425-G427 PolarHBondContact O-N 3.02Å; H425-D428 PolarHBondContact N-OD2 2.61Å; H425-D428 WeakPolarHBondContact O-CB 3.44Å; H425-D428 PolarHBondContact O-N 2.74Å; H425-D428 VanDerWaalsContact O-N 3.15Å; H425-Y463 HydrophobicContact CB-CD2 4.23Å; H425-Y463 HydrophobicContact CB-CE2 4.24Å
426	K	90.4	Very high	90	Very high	103 Å²	103	41.5 Å²	41.5	45%	0.448	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	130.4	166.6	179.5	-178.8	-179.4	-163.6	0	108.3	S410 Y463 Y468 E472	S410-K426 WeakPolarHBondContact O-CD 3.38Å; S410-K426 VanDerWaalsContact O-CE 3.22Å; S410-K426 WeakPolarHBondContact O-CE 3.44Å; S410-K426 WeakPolarHBondContact O-CG 3.31Å; K426-Y463 WeakPolarHBondContact O-CE2 3.47Å; K426-Y468 HydrophobicContact CD-CE1 4.45Å; K426-Y468 VanDerWaalsContact CE-CE1 3.43Å; K426-Y468 VanDerWaalsContact CE-OH 3.24Å; K426-Y468 WeakPolarHBondContact CE-OH 3.46Å; K426-Y468 HydrophobicContact CG-CE1 4.17Å; K426-E472 VanDerWaalsContact CE-OE1 3.28Å; K426-E472 WeakPolarHBondContact CE-OE1 2.97Å; K426-E472 IonicContact NZ-OE1 2.86Å; K426-E472 PolarHBondContact NZ-OE1 2.79Å; K426-E472 IonicContact NZ-OE2 3.83Å
427	G	85.8	Confident	90.6	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.01	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	93.5	1.1	-175.3	0	0	0	0	0	114.9	I409 H425 Q429 R464	I409-G427 PolarHBondContact O-N 2.93Å; H425-G427 PolarHBondContact O-N 3.02Å; G427-Q429 PolarHBondContact O-N 3.32Å; G427-R464 CarbonylContact O-C 3.57Å; G427-R464 PolarHBondContact O-N 2.93Å; G427-R464 VanDerWaalsContact O-N 3.15Å
428	D	94.3	Very high	90.9	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	128	168.4	-81.9	-17.8	0	0	0	111.7	R383 F408 I409 L424 H425 A461 Q462 Y463	R383-D428 IonicContact CZ-OD1 2.64Å; R383-D428 IonicContact CZ-OD2 3.11Å; R383-D428 IonicContact NE-OD2 2.62Å; R383-D428 IonicContact NH2-OD1 3.17Å; R383-D428 PolarHBondContact NH2-OD1 2.8Å; R383-D428 IonicContact NH2-OD2 2.84Å; R383-D428 PolarHBondContact NH2-OD2 3.5Å; F408-D428 CarbonylContact C-O 3.55Å; F408-D428 VanDerWaalsContact CA-O 3.24Å; F408-D428 WeakPolarHBondContact CA-O 3.49Å; I409-D428 HydrophobicContact CB-CB 4.42Å; I409-D428 HydrophobicContact CD1-CB 4.01Å; I409-D428 HydrophobicContact CG1-CB 4.25Å; I409-D428 PolarHBondContact N-O 2.78Å; L424-D428 WeakPolarHBondContact CA-OD2 3.44Å; H425-D428 PolarHBondContact N-OD2 2.61Å; H425-D428 WeakPolarHBondContact O-CB 3.44Å; H425-D428 PolarHBondContact O-N 2.74Å; H425-D428 VanDerWaalsContact O-N 3.15Å; D428-A461 HydrophobicContact CB-CB 4.2Å; D428-Q462 CarbonylContact C-O 3.6Å; D428-Q462 WeakPolarHBondContact CA-O 3.35Å; D428-Y463 WeakPolarHBondContact OD1-CA 3.4Å; D428-Y463 WeakPolarHBondContact OD1-CB 3.13Å; D428-Y463 WeakPolarHBondContact OD1-CD2 3.11Å; D428-Y463 PolarHBondContact OD1-N 3.35Å
429	Q	95.1	Very high	91	Very high	14 Å²	14	51.1 Å²	51.1	7%	0.065	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	126	164.8	-168	-177	5	0	0	109.6	I407 F408 G427 L431 A461 Q462	I407-Q429 CarbonylContact O-C 3.54Å; I407-Q429 VanDerWaalsContact O-CA 3.31Å; I407-Q429 WeakPolarHBondContact O-CA 3.5Å; F408-Q429 HydrophobicContact CD1-CB 3.83Å; F408-Q429 HydrophobicContact CD1-CG 4.27Å; F408-Q429 HydrophobicContact CE1-CB 3.66Å; F408-Q429 HydrophobicContact CE1-CG 3.98Å; F408-Q429 HydrophobicContact CZ-CB 4.41Å; F408-Q429 HydrophobicContact CZ-CG 4.25Å; G427-Q429 PolarHBondContact O-N 3.32Å; Q429-L431 HydrophobicContact CG-CD2 4.13Å; Q429-L431 PolarHBondContact O-N 3.36Å; Q429-A461 CarbonylContact O-C 3.5Å; Q429-A461 VanDerWaalsContact O-CA 3.3Å; Q429-A461 WeakPolarHBondContact O-CA 3.4Å; Q429-Q462 PolarHBondContact N-O 3.14Å; Q429-Q462 PolarHBondContact O-N 3.12Å
430	I	95.9	Very high	91.1	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	112.9	174.6	-55.4	179	0	0	0	108.8	F396 I398 I407 I409 V433 L438 L450 I459	F396-I430 HydrophobicContact CE2-CD1 3.84Å; F396-I430 HydrophobicContact CZ-CD1 4.38Å; I398-I430 HydrophobicContact CG2-CD1 3.64Å; I407-I430 HydrophobicContact CG2-CB 4.37Å; I407-I430 HydrophobicContact CG2-CD1 4.35Å; I407-I430 PolarHBondContact O-N 2.85Å; I409-I430 HydrophobicContact CD1-CD1 4.42Å; I409-I430 HydrophobicContact CD1-CG1 4.41Å; I409-I430 HydrophobicContact CG1-CD1 4Å; I409-I430 HydrophobicContact CG1-CG1 4.06Å; I430-V433 HydrophobicContact CG2-CG2 3.8Å; I430-L438 HydrophobicContact CG2-CD1 3.86Å; I430-L450 HydrophobicContact CD1-CD1 4.39Å; I430-I459 HydrophobicContact CG1-CG2 4.49Å; I430-I459 HydrophobicContact CG2-CG2 3.85Å
431	L	95.7	Very high	91.3	Very high	21 Å²	21	48.3 Å²	48.3	11%	0.11	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	-34.5	-179.6	-54.9	179.9	0	0	0	112	P382 Q429 L438 R439 I460 Q462	P382-L431 HydrophobicContact CB-CD1 3.86Å; P382-L431 HydrophobicContact CG-CD1 3.81Å; Q429-L431 HydrophobicContact CG-CD2 4.13Å; Q429-L431 PolarHBondContact O-N 3.36Å; L431-L438 PolarHBondContact O-N 2.77Å; L431-R439 HydrophobicContact CB-CG 4.19Å; L431-R439 HydrophobicContact CD2-CG 3.85Å; L431-I460 WeakPolarHBondContact CA-O 3.22Å; L431-I460 HydrophobicContact CB-CB 4.49Å; L431-I460 HydrophobicContact CB-CG2 4.25Å; L431-I460 WeakPolarHBondContact CB-O 3.42Å; L431-I460 HydrophobicContact CD1-CG2 4.27Å; L431-I460 PolarHBondContact N-O 2.79Å; L431-Q462 HydrophobicContact CD1-CB 3.95Å; L431-Q462 HydrophobicContact CG-CB 4.35Å
432	S	96.2	Very high	91.5	Very high	15 Å²	15	49.5 Å²	49.5	11%	0.105	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	157.8	173.5	67.7	0	0	0	0	113.2	V436 I459 I460	S432-V436 CarbonylContact C-O 3.43Å; S432-V436 WeakPolarHBondContact CA-O 3.44Å; S432-V436 WeakPolarHBondContact CB-O 3.4Å; S432-I459 WeakPolarHBondContact O-CA 3.12Å; S432-I460 PolarHBondContact N-O 3.4Å; S432-I460 PolarHBondContact O-N 3.21Å; S432-I460 WeakPolarHBondContact OG-CB 3.35Å; S432-I460 VanDerWaalsContact OG-CD1 3.31Å; S432-I460 WeakPolarHBondContact OG-CD1 3.47Å; S432-I460 VanDerWaalsContact OG-CG1 3.24Å; S432-I460 WeakPolarHBondContact OG-CG1 3.27Å
433	V	96	Very high	91.6	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.006	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	120.7	175.3	175.3	0	0	0	0	109	I430 G435 V436 L438 L450 A453 V457 T458 I459	I430-V433 HydrophobicContact CG2-CG2 3.8Å; V433-G435 PolarHBondContact O-N 2.95Å; V433-G435 VanDerWaalsContact O-N 3.11Å; V433-V436 PolarHBondContact N-O 3.5Å; V433-V436 VanDerWaalsContact O-CB 3.29Å; V433-V436 WeakPolarHBondContact O-CB 3.15Å; V433-V436 PolarHBondContact O-N 2.76Å; V433-L438 HydrophobicContact CB-CD1 4.13Å; V433-L438 HydrophobicContact CG2-CD1 3.54Å; V433-L450 HydrophobicContact CB-CD2 4.45Å; V433-L450 HydrophobicContact CG1-CD2 4.02Å; V433-L450 HydrophobicContact CG2-CD2 3.57Å; V433-L450 HydrophobicContact CG2-CG 4.05Å; V433-A453 HydrophobicContact CG1-CB 3.82Å; V433-V457 HydrophobicContact CG1-CG1 3.68Å; V433-T458 CarbonylContact C-O 3.15Å; V433-T458 WeakPolarHBondContact CA-O 3.31Å; V433-I459 HydrophobicContact CG2-CG1 4.4Å
434	N	92.4	Very high	91.8	Very high	72 Å²	72	54.3 Å²	54.3	39%	0.385	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.7	35.7	-176.3	-74.2	-3.6	0	0	0	113.9	V436 A453 T458	N434-V436 VanDerWaalsContact C-N 3.31Å; N434-V436 PolarHBondContact O-N 2.84Å; N434-A453 WeakPolarHBondContact ND2-CA 3.4Å; N434-A453 WeakPolarHBondContact ND2-CB 3.45Å; N434-A453 PolarHBondContact ND2-O 2.75Å; N434-T458 PolarHBondContact N-O 3.29Å; N434-T458 PolarHBondContact OD1-N 2.77Å
435	G	87.1	Confident	91.8	Very high	72 Å²	72	59.4 Å²	59.4	74%	0.742	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.4	-2.6	-178.1	0	0	0	0	0	115.2	V433	V433-G435 PolarHBondContact O-N 2.95Å; V433-G435 VanDerWaalsContact O-N 3.11Å
436	V	92.6	Very high	91.8	Very high	77 Å²	77	56.2 Å²	56.2	47%	0.467	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	118.3	169.5	-177.6	0	0	0	0	108.8	S432 V433 N434 L438 A449	S432-V436 CarbonylContact C-O 3.43Å; S432-V436 WeakPolarHBondContact CA-O 3.44Å; S432-V436 WeakPolarHBondContact CB-O 3.4Å; V433-V436 PolarHBondContact N-O 3.5Å; V433-V436 VanDerWaalsContact O-CB 3.29Å; V433-V436 WeakPolarHBondContact O-CB 3.15Å; V433-V436 PolarHBondContact O-N 2.76Å; N434-V436 VanDerWaalsContact C-N 3.31Å; N434-V436 PolarHBondContact O-N 2.84Å; V436-L438 HydrophobicContact CG1-CD2 4.21Å; V436-A449 HydrophobicContact CG1-CB 4.28Å
437	D	93.3	Very high	91.8	Very high	84 Å²	84	52.2 Å²	52.2	45%	0.449	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	128.6	178.3	-171.5	2.2	0	0	0	111.2	R439	D437-R439 WeakPolarHBondContact OD1-CB 3.14Å; D437-R439 WeakPolarHBondContact OD1-CG 3.43Å; D437-R439 IonicContact OD1-CZ 3.8Å; D437-R439 PolarHBondContact OD1-N 3.01Å; D437-R439 VanDerWaalsContact OD1-N 3.08Å; D437-R439 IonicContact OD1-NE 3.75Å; D437-R439 PolarHBondContact OD1-NE 3.44Å; D437-R439 IonicContact OD1-NH2 3.82Å; D437-R439 IonicContact OD2-CZ 3.8Å; D437-R439 IonicContact OD2-NE 2.91Å; D437-R439 PolarHBondContact OD2-NE 2.54Å; D437-R439 IonicContact OD2-NH2 3.18Å; D437-R439 PolarHBondContact OD2-NH2 2.9Å
438	L	94.4	Very high	92	Very high	2 Å²	2	54.1 Å²	54.1	1%	0.01	30%	0.296	C	S	.	.			trans	-118.3	4.7	-177.4	-62.1	-175.3	0	0	0	113.7	I430 L431 V433 V436 M440 A441 A446 A449	I430-L438 HydrophobicContact CG2-CD1 3.86Å; L431-L438 PolarHBondContact O-N 2.77Å; V433-L438 HydrophobicContact CB-CD1 4.13Å; V433-L438 HydrophobicContact CG2-CD1 3.54Å; V436-L438 HydrophobicContact CG1-CD2 4.21Å; L438-M440 PolarHBondContact O-N 3.3Å; L438-M440 VanDerWaalsContact O-N 3.16Å; L438-A441 HydrophobicContact CB-CB 4.12Å; L438-A441 HydrophobicContact CD2-CB 3.58Å; L438-A441 HydrophobicContact CG-CB 4.46Å; L438-A441 PolarHBondContact O-N 2.9Å; L438-A441 VanDerWaalsContact O-N 3.16Å; L438-A446 HydrophobicContact CD1-CB 4.07Å; L438-A446 HydrophobicContact CD2-CB 4.2Å; L438-A449 HydrophobicContact CD2-CB 4.12Å
439	R	90.8	Very high	92	Very high	145 Å²	145	54.9 Å²	54.9	55%	0.547	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-33.4	-176.7	-72.3	176.6	-70.3	177.8	1.8	114.3	L431 D437	L431-R439 HydrophobicContact CB-CG 4.19Å; L431-R439 HydrophobicContact CD2-CG 3.85Å; D437-R439 WeakPolarHBondContact OD1-CB 3.14Å; D437-R439 WeakPolarHBondContact OD1-CG 3.43Å; D437-R439 IonicContact OD1-CZ 3.8Å; D437-R439 PolarHBondContact OD1-N 3.01Å; D437-R439 VanDerWaalsContact OD1-N 3.08Å; D437-R439 IonicContact OD1-NE 3.75Å; D437-R439 PolarHBondContact OD1-NE 3.44Å; D437-R439 IonicContact OD1-NH2 3.82Å; D437-R439 IonicContact OD2-CZ 3.8Å; D437-R439 IonicContact OD2-NE 2.91Å; D437-R439 PolarHBondContact OD2-NE 2.54Å; D437-R439 IonicContact OD2-NH2 3.18Å; D437-R439 PolarHBondContact OD2-NH2 2.9Å
440	M	87.4	Confident	91.8	Very high	143 Å²	143	55 Å²	55	70%	0.704	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.6	19.2	178.1	-59.7	-60	-59.3	0	0	111.6	L438	L438-M440 PolarHBondContact O-N 3.3Å; L438-M440 VanDerWaalsContact O-N 3.16Å
441	A	88.3	Confident	91.5	Very high	10 Å²	10	62 Å²	62	8%	0.083	33%	0.334	C	S	.	.			trans	-77.4	146.9	-178	0	0	0	0	0	110.9	L438 Q445	L438-A441 HydrophobicContact CB-CB 4.12Å; L438-A441 HydrophobicContact CD2-CB 3.58Å; L438-A441 HydrophobicContact CG-CB 4.46Å; L438-A441 PolarHBondContact O-N 2.9Å; L438-A441 VanDerWaalsContact O-N 3.16Å; A441-Q445 HydrophobicContact CB-CB 4.15Å
442	T	91.3	Very high	91.1	Very high	62 Å²	62	67.4 Å²	67.4	38%	0.38	36%	0.363	S	S	.	.			trans	-68.5	159.6	169.2	60.4	0	0	0	0	111	G401 E444 Q445 A446	G401-T442 WeakPolarHBondContact O-CA 3.45Å; T442-E444 PolarHBondContact O-N 3.4Å; T442-Q445 PolarHBondContact O-N 2.91Å; T442-Q445 VanDerWaalsContact O-N 3.15Å; T442-Q445 WeakPolarHBondContact OG1-CB 3.36Å; T442-Q445 WeakPolarHBondContact OG1-CG 3.35Å; T442-Q445 PolarHBondContact OG1-N 2.92Å; T442-Q445 PolarHBondContact OG1-OE1 2.84Å; T442-A446 PolarHBondContact O-N 2.84Å
443	H	87.9	Confident	90.6	Very high	87 Å²	87	67.3 Å²	67.3	40%	0.403	36%	0.363	S	S	.	.	H	α-helix	trans	-51	-45.3	175.1	-174.7	78.5	0	0	0	112.3	G400 A446 A447	G400-H443 WeakPolarHBondContact O-CB 3.48Å; G400-H443 PolarHBondContact O-ND1 3.24Å; H443-A446 PolarHBondContact O-N 3.33Å; H443-A447 WeakPolarHBondContact O-CB 3.5Å; H443-A447 PolarHBondContact O-N 2.92Å
444	E	91.1	Very high	90.1	Very high	159 Å²	159	69 Å²	69	74%	0.743	38%	0.381	S	S	*	.	H	α-helix	trans	-65.6	-42.3	-178.6	-172	175.5	-170.3	0	0	111.9	T442 A446 A447 A448	T442-E444 PolarHBondContact O-N 3.4Å; E444-A446 PolarHBondContact O-N 2.82Å; E444-A447 PolarHBondContact O-N 2.82Å; E444-A448 VanDerWaalsContact O-CB 3.29Å; E444-A448 WeakPolarHBondContact O-CB 3.4Å; E444-A448 PolarHBondContact O-N 3.36Å
445	Q	91.1	Very high	89.9	Confident	112 Å²	112	72.1 Å²	72.1	52%	0.523	39%	0.393	S	S	.	.	H	α-helix	trans	-63.7	-41.2	176	-73.6	165.9	-28.1	0	0	111.9	A441 T442 A448 A449	A441-Q445 HydrophobicContact CB-CB 4.15Å; T442-Q445 PolarHBondContact O-N 2.91Å; T442-Q445 VanDerWaalsContact O-N 3.15Å; T442-Q445 WeakPolarHBondContact OG1-CB 3.36Å; T442-Q445 WeakPolarHBondContact OG1-CG 3.35Å; T442-Q445 PolarHBondContact OG1-N 2.92Å; T442-Q445 PolarHBondContact OG1-OE1 2.84Å; Q445-A448 PolarHBondContact O-N 3.04Å; Q445-A449 WeakPolarHBondContact O-CB 3.24Å; Q445-A449 PolarHBondContact O-N 2.96Å
446	A	91.3	Very high	90.1	Very high	0 Å²	0	71.6 Å²	71.6	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-66.4	-43.1	176.1	0	0	0	0	0	112.2	I398 I407 L438 T442 H443 E444 A448 A449 L450	I398-A446 HydrophobicContact CD1-CB 4Å; I407-A446 HydrophobicContact CB-CB 4.43Å; I407-A446 HydrophobicContact CD1-CB 3.68Å; I407-A446 HydrophobicContact CG1-CB 3.71Å; I407-A446 HydrophobicContact CG2-CB 3.99Å; L438-A446 HydrophobicContact CD1-CB 4.07Å; L438-A446 HydrophobicContact CD2-CB 4.2Å; T442-A446 PolarHBondContact O-N 2.84Å; H443-A446 PolarHBondContact O-N 3.33Å; E444-A446 PolarHBondContact O-N 2.82Å; A446-A448 PolarHBondContact O-N 3.42Å; A446-A449 PolarHBondContact O-N 3.49Å; A446-L450 WeakPolarHBondContact O-CB 3.45Å; A446-L450 WeakPolarHBondContact O-CG 3.25Å; A446-L450 PolarHBondContact O-N 3.21Å
447	A	90	Very high	90.2	Very high	20 Å²	20	68 Å²	68	17%	0.165	35%	0.354	C	S	.	.	H	α-helix	trans	-63.1	-40.9	175	0	0	0	0	0	111.7	I398 H443 E444 K451	I398-A447 HydrophobicContact CD1-CB 4.45Å; H443-A447 WeakPolarHBondContact O-CB 3.5Å; H443-A447 PolarHBondContact O-N 2.92Å; E444-A447 PolarHBondContact O-N 2.82Å; A447-K451 VanDerWaalsContact O-CB 3.29Å; A447-K451 WeakPolarHBondContact O-CB 3.41Å; A447-K451 WeakPolarHBondContact O-CG 3.43Å; A447-K451 PolarHBondContact O-N 3.28Å
448	A	90.8	Very high	90.2	Very high	40 Å²	40	65.8 Å²	65.8	33%	0.331	34%	0.344	S	S	.	.	H	α-helix	trans	-64.9	-44.8	175.5	0	0	0	0	0	111.6	E444 Q445 A446 L450 K451 N452	E444-A448 VanDerWaalsContact O-CB 3.29Å; E444-A448 WeakPolarHBondContact O-CB 3.4Å; E444-A448 PolarHBondContact O-N 3.36Å; Q445-A448 PolarHBondContact O-N 3.04Å; A446-A448 PolarHBondContact O-N 3.42Å; A448-L450 PolarHBondContact O-N 3.47Å; A448-K451 PolarHBondContact O-N 3.35Å; A448-N452 VanDerWaalsContact O-CB 3.23Å; A448-N452 WeakPolarHBondContact O-CB 3.44Å; A448-N452 VanDerWaalsContact O-CG 3.24Å; A448-N452 PolarHBondContact O-N 2.99Å; A448-N452 PolarHBondContact O-ND2 3.04Å
449	A	92.6	Very high	90.3	Very high	17 Å²	17	65.7 Å²	65.7	14%	0.14	34%	0.343	C	S	.	.	H	α-helix	trans	-59.7	-46.3	176.1	0	0	0	0	0	111.5	V436 L438 Q445 A446 N452 A453	V436-A449 HydrophobicContact CG1-CB 4.28Å; L438-A449 HydrophobicContact CD2-CB 4.12Å; Q445-A449 WeakPolarHBondContact O-CB 3.24Å; Q445-A449 PolarHBondContact O-N 2.96Å; A446-A449 PolarHBondContact O-N 3.49Å; A449-N452 PolarHBondContact O-N 3.25Å; A449-A453 VanDerWaalsContact O-CB 3.3Å; A449-A453 WeakPolarHBondContact O-CB 3.44Å; A449-A453 PolarHBondContact O-N 3.18Å
450	L	92.1	Very high	90.5	Very high	15 Å²	15	61.5 Å²	61.5	8%	0.079	33%	0.331	C	S	.	.	H	α-helix	trans	-64.8	-41.4	176.6	-74	165.8	0	0	0	112.5	R389 L394 F396 I398 I430 V433 A446 A448 I459	R389-L450 PolarHBondContact NH2-O 2.89Å; L394-L450 HydrophobicContact CD1-CD2 3.86Å; F396-L450 HydrophobicContact CE2-CD1 4.16Å; F396-L450 HydrophobicContact CE2-CD2 4.46Å; F396-L450 HydrophobicContact CZ-CD1 4.35Å; F396-L450 HydrophobicContact CZ-CD2 3.86Å; I398-L450 HydrophobicContact CD1-CD1 3.93Å; I398-L450 HydrophobicContact CG2-CD1 3.96Å; I430-L450 HydrophobicContact CD1-CD1 4.39Å; V433-L450 HydrophobicContact CB-CD2 4.45Å; V433-L450 HydrophobicContact CG1-CD2 4.02Å; V433-L450 HydrophobicContact CG2-CD2 3.57Å; V433-L450 HydrophobicContact CG2-CG 4.05Å; A446-L450 WeakPolarHBondContact O-CB 3.45Å; A446-L450 WeakPolarHBondContact O-CG 3.25Å; A446-L450 PolarHBondContact O-N 3.21Å; A448-L450 PolarHBondContact O-N 3.47Å; L450-I459 HydrophobicContact CD2-CD1 4.18Å
451	K	88.9	Confident	90.9	Very high	147 Å²	147	54.7 Å²	54.7	64%	0.639	30%	0.297	S	S	*	.	H	α-helix	trans	-66.8	-38.6	178	-77.7	173.9	-177.8	176.8	0	112.3	R389 A447 A448	R389-K451 PolarHBondContact NH1-O 3.39Å; R389-K451 VanDerWaalsContact NH1-O 3.17Å; R389-K451 VanDerWaalsContact NH2-C 3.35Å; R389-K451 PolarHBondContact NH2-O 3.13Å; A447-K451 VanDerWaalsContact O-CB 3.29Å; A447-K451 WeakPolarHBondContact O-CB 3.41Å; A447-K451 WeakPolarHBondContact O-CG 3.43Å; A447-K451 PolarHBondContact O-N 3.28Å; A448-K451 PolarHBondContact O-N 3.35Å
452	N	88	Confident	91.2	Very high	136 Å²	136	55.7 Å²	55.7	73%	0.727	30%	0.301	S	S	*	.	H	α-helix	trans	-89.8	-3.8	-176.6	-63.9	-26.1	0	0	0	114.1	A448 A449 G454	A448-N452 VanDerWaalsContact O-CB 3.23Å; A448-N452 WeakPolarHBondContact O-CB 3.44Å; A448-N452 VanDerWaalsContact O-CG 3.24Å; A448-N452 PolarHBondContact O-N 2.99Å; A448-N452 PolarHBondContact O-ND2 3.04Å; A449-N452 PolarHBondContact O-N 3.25Å; N452-G454 PolarHBondContact O-N 3.27Å
453	A	85.8	Confident	91.3	Very high	12 Å²	12	54 Å²	54	10%	0.099	29%	0.287	C	S	.	.	S	Bend	trans	-65.9	-3.5	179.7	0	0	0	0	0	115.3	V433 N434 A449 V457	V433-A453 HydrophobicContact CG1-CB 3.82Å; N434-A453 WeakPolarHBondContact ND2-CA 3.4Å; N434-A453 WeakPolarHBondContact ND2-CB 3.45Å; N434-A453 PolarHBondContact ND2-O 2.75Å; A449-A453 VanDerWaalsContact O-CB 3.3Å; A449-A453 WeakPolarHBondContact O-CB 3.44Å; A449-A453 PolarHBondContact O-N 3.18Å; A453-V457 HydrophobicContact CB-CB 4.16Å; A453-V457 HydrophobicContact CB-CG1 3.69Å; A453-V457 HydrophobicContact CB-CG2 3.57Å
454	G	85.8	Confident	91.4	Very high	38 Å²	38	53 Å²	53	39%	0.392	28%	0.28	S	S	.	.			trans	76.4	-156.5	176.9	0	0	0	0	0	113.9	R389 N452	R389-G454 PolarHBondContact NE-O 3.31Å; N452-G454 PolarHBondContact O-N 3.27Å
455	Q	88.3	Confident	91.1	Very high	136 Å²	136	46.1 Å²	46.1	64%	0.636	25%	0.249	S	C	*	.	S	Bend	trans	-76.5	-33.5	-176	-77.2	-63.5	-30.8	0	0	113.6	H388 R389	H388-Q455 WeakPolarHBondContact CA-O 3.22Å; R389-Q455 PolarHBondContact N-O 3.32Å
456	T	90	Very high	90.8	Very high	62 Å²	62	45.1 Å²	45.1	38%	0.38	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	119.2	178.4	-54.2	0	0	0	0	108.4	L386 H388	L386-T456 HydrophobicContact CD1-CG2 3.55Å; L386-T456 HydrophobicContact CD2-CG2 4.24Å; L386-T456 HydrophobicContact CG-CG2 3.93Å; H388-T456 PolarHBondContact CE1-OG1 3.3Å; H388-T456 PolarHBondContact ND1-OG1 2.97Å
457	V	94.1	Very high	90.5	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	120.3	-172.6	-174.8	0	0	0	0	109.2	I387 L394 V433 A453 I459	I387-V457 PolarHBondContact N-O 3.08Å; I387-V457 PolarHBondContact O-N 2.82Å; L394-V457 HydrophobicContact CD1-CB 4.46Å; L394-V457 HydrophobicContact CD1-CG1 4.23Å; L394-V457 HydrophobicContact CD1-CG2 4.23Å; L394-V457 HydrophobicContact CD2-CB 4.07Å; L394-V457 HydrophobicContact CD2-CG2 3.72Å; V433-V457 HydrophobicContact CG1-CG1 3.68Å; A453-V457 HydrophobicContact CB-CB 4.16Å; A453-V457 HydrophobicContact CB-CG1 3.69Å; A453-V457 HydrophobicContact CB-CG2 3.57Å; V457-I459 HydrophobicContact CG1-CD1 4.18Å; V457-I459 HydrophobicContact CG1-CG1 3.79Å
458	T	94.8	Very high	90.3	Very high	38 Å²	38	47.8 Å²	47.8	23%	0.233	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	117.2	173.7	-54.7	0	0	0	0	108.7	R384 V385 L386 V433 N434	R384-T458 HydrophobicContact CG-CG2 3.47Å; R384-T458 VanDerWaalsContact CG-CG2 3.47Å; V385-T458 CarbonylContact O-C 3.57Å; V385-T458 WeakPolarHBondContact O-CA 3.48Å; L386-T458 WeakPolarHBondContact CD1-OG1 3.25Å; V433-T458 CarbonylContact C-O 3.15Å; V433-T458 WeakPolarHBondContact CA-O 3.31Å; N434-T458 PolarHBondContact N-O 3.29Å; N434-T458 PolarHBondContact OD1-N 2.77Å
459	I	96.3	Very high	89.9	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	128.6	-177.6	-55.7	-175.4	0	0	0	108.4	R384 V385 I387 F396 L424 I430 S432 V433 L450 V457 A461	R384-I459 CarbonylContact C-O 3.53Å; R384-I459 WeakPolarHBondContact CA-O 3.35Å; V385-I459 PolarHBondContact N-O 3.07Å; V385-I459 PolarHBondContact O-N 2.98Å; I387-I459 HydrophobicContact CD1-CD1 4.17Å; F396-I459 HydrophobicContact CE1-CD1 3.85Å; F396-I459 HydrophobicContact CZ-CD1 3.66Å; L424-I459 HydrophobicContact CD1-CD1 4.24Å; I430-I459 HydrophobicContact CG1-CG2 4.49Å; I430-I459 HydrophobicContact CG2-CG2 3.85Å; S432-I459 WeakPolarHBondContact O-CA 3.12Å; V433-I459 HydrophobicContact CG2-CG1 4.4Å; L450-I459 HydrophobicContact CD2-CD1 4.18Å; V457-I459 HydrophobicContact CG1-CD1 4.18Å; V457-I459 HydrophobicContact CG1-CG1 3.79Å; I459-A461 HydrophobicContact CG2-CB 4.24Å
460	I	95.7	Very high	89.4	Confident	57 Å²	57	56.2 Å²	56.2	29%	0.292	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	111.3	164.4	-56.2	-176	0	0	0	107.2	P382 R383 R384 L431 S432	P382-I460 HydrophobicContact CB-CG2 3.91Å; R383-I460 CarbonylContact O-C 3.52Å; R383-I460 VanDerWaalsContact O-CA 3.27Å; R383-I460 WeakPolarHBondContact O-CA 3.4Å; R384-I460 HydrophobicContact CB-CG1 4.47Å; R384-I460 HydrophobicContact CG-CG1 4.29Å; L431-I460 WeakPolarHBondContact CA-O 3.22Å; L431-I460 HydrophobicContact CB-CB 4.49Å; L431-I460 HydrophobicContact CB-CG2 4.25Å; L431-I460 WeakPolarHBondContact CB-O 3.42Å; L431-I460 HydrophobicContact CD1-CG2 4.27Å; L431-I460 PolarHBondContact N-O 2.79Å; S432-I460 PolarHBondContact N-O 3.4Å; S432-I460 PolarHBondContact O-N 3.21Å; S432-I460 WeakPolarHBondContact OG-CB 3.35Å; S432-I460 VanDerWaalsContact OG-CD1 3.31Å; S432-I460 WeakPolarHBondContact OG-CD1 3.47Å; S432-I460 VanDerWaalsContact OG-CG1 3.24Å; S432-I460 WeakPolarHBondContact OG-CG1 3.27Å
461	A	95.2	Very high	88.8	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	149.5	-178.2	0	0	0	0	0	110.7	P382 R383 L424 D428 Q429 I459	P382-A461 CarbonylContact C-O 3.59Å; P382-A461 WeakPolarHBondContact CA-O 3.44Å; R383-A461 VanDerWaalsContact CG-O 3.26Å; R383-A461 WeakPolarHBondContact CG-O 3.43Å; R383-A461 PolarHBondContact N-O 3.32Å; R383-A461 PolarHBondContact O-N 2.91Å; L424-A461 HydrophobicContact CD2-CB 3.74Å; D428-A461 HydrophobicContact CB-CB 4.2Å; Q429-A461 CarbonylContact O-C 3.5Å; Q429-A461 VanDerWaalsContact O-CA 3.3Å; Q429-A461 WeakPolarHBondContact O-CA 3.4Å; I459-A461 HydrophobicContact CG2-CB 4.24Å
462	Q	94.4	Very high	88.3	Confident	32 Å²	32	53 Å²	53	15%	0.15	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	126.6	176.2	-173.6	-178.8	18.4	0	0	109.6	R380 P382 D428 Q429 L431 R464	R380-Q462 VanDerWaalsContact O-CG 3.26Å; R380-Q462 WeakPolarHBondContact O-CG 3.36Å; R380-Q462 PolarHBondContact O-NE2 3.01Å; P382-Q462 HydrophobicContact CG-CB 4.46Å; P382-Q462 HydrophobicContact CG-CG 4.37Å; D428-Q462 CarbonylContact C-O 3.6Å; D428-Q462 WeakPolarHBondContact CA-O 3.35Å; Q429-Q462 PolarHBondContact N-O 3.14Å; Q429-Q462 PolarHBondContact O-N 3.12Å; L431-Q462 HydrophobicContact CD1-CB 3.95Å; L431-Q462 HydrophobicContact CG-CB 4.35Å; Q462-R464 HydrophobicContact CG-CG 4.16Å; Q462-R464 PolarHBondContact O-N 3.43Å; Q462-R464 VanDerWaalsContact OE1-CZ 3.3Å
463	Y	93.4	Very high	87.6	Confident	25 Å²	25	48.7 Å²	48.7	10%	0.098	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	117.2	179	-171	-125.2	0	0	0	110.8	D375 I378 H425 K426 D428 P465	D375-Y463 VanDerWaalsContact OD1-CE1 3.3Å; D375-Y463 WeakPolarHBondContact OD1-CE1 3.29Å; D375-Y463 PolarHBondContact OD1-OH 2.97Å; I378-Y463 HydrophobicContact CB-CD1 3.8Å; I378-Y463 HydrophobicContact CB-CE1 4.17Å; I378-Y463 HydrophobicContact CD1-CD1 4.07Å; I378-Y463 HydrophobicContact CD1-CE1 3.7Å; I378-Y463 HydrophobicContact CG2-CD1 3.59Å; I378-Y463 HydrophobicContact CG2-CE1 4.33Å; I378-Y463 HydrophobicContact CG2-CG 3.8Å; H425-Y463 HydrophobicContact CB-CD2 4.23Å; H425-Y463 HydrophobicContact CB-CE2 4.24Å; K426-Y463 WeakPolarHBondContact O-CE2 3.47Å; D428-Y463 WeakPolarHBondContact OD1-CA 3.4Å; D428-Y463 WeakPolarHBondContact OD1-CB 3.13Å; D428-Y463 WeakPolarHBondContact OD1-CD2 3.11Å; D428-Y463 PolarHBondContact OD1-N 3.35Å; Y463-P465 HydrophobicContact CD1-CG 4.08Å; Y463-P465 HydrophobicContact CE1-CB 4.13Å; Y463-P465 HydrophobicContact CE1-CG 3.56Å; Y463-P465 HydrophobicContact CE2-CB 4.29Å; Y463-P465 HydrophobicContact CE2-CG 4.46Å
464	R	90.4	Very high	87.1	Confident	68 Å²	68	52.7 Å²	52.7	26%	0.257	27%	0.268	S	S	.	.			trans	-136	67.2	-177.5	-63.2	-162	179.2	-168.6	-0.9	111.5	F408 G427 Q462 E466 E467 Y468	F408-R464 HydrophobicContact CE1-CB 4.34Å; G427-R464 CarbonylContact O-C 3.57Å; G427-R464 PolarHBondContact O-N 2.93Å; G427-R464 VanDerWaalsContact O-N 3.15Å; Q462-R464 HydrophobicContact CG-CG 4.16Å; Q462-R464 PolarHBondContact O-N 3.43Å; Q462-R464 VanDerWaalsContact OE1-CZ 3.3Å; R464-E466 VanDerWaalsContact C-N 3.29Å; R464-E466 PolarHBondContact O-N 2.93Å; R464-E467 HydrophobicContact CB-CB 4.13Å; R464-E467 VanDerWaalsContact CD-CD 3.42Å; R464-E467 WeakPolarHBondContact CD-OE1 3.31Å; R464-E467 WeakPolarHBondContact CD-OE2 3.44Å; R464-E467 IonicContact CZ-OE1 2.69Å; R464-E467 IonicContact CZ-OE2 2.72Å; R464-E467 IonicContact NE-OE1 3.35Å; R464-E467 IonicContact NE-OE2 2.64Å; R464-E467 IonicContact NH1-OE1 3.9Å; R464-E467 PolarHBondContact NH1-OE1 3.46Å; R464-E467 IonicContact NH1-OE2 3.55Å; R464-E467 PolarHBondContact NH1-OE2 3.5Å; R464-E467 PolarHBondContact O-N 3.21Å; R464-Y468 WeakPolarHBondContact O-CB 3.22Å; R464-Y468 PolarHBondContact O-N 3.35Å
465	P	82.9	Confident	86.1	Confident	14 Å²	14	52.9 Å²	52.9	9%	0.091	26%	0.26	C	S	.	.	H	α-helix	trans	-62.7	-33.1	-174	25.4	-33.9	0	0	0	112.9	Y463 S469	Y463-P465 HydrophobicContact CD1-CG 4.08Å; Y463-P465 HydrophobicContact CE1-CB 4.13Å; Y463-P465 HydrophobicContact CE1-CG 3.56Å; Y463-P465 HydrophobicContact CE2-CB 4.29Å; Y463-P465 HydrophobicContact CE2-CG 4.46Å; P465-S469 VanDerWaalsContact O-CB 3.24Å; P465-S469 WeakPolarHBondContact O-CB 3.36Å; P465-S469 PolarHBondContact O-N 2.99Å; P465-S469 PolarHBondContact O-OG 3.05Å
466	E	86.3	Confident	85.1	Confident	91 Å²	91	52.1 Å²	52.1	43%	0.425	26%	0.256	S	S	.	.	H	α-helix	trans	-74.7	-34	179.8	-56.2	82.4	-179.1	0	0	113.1	R380 R464 R470	R380-E466 IonicContact CZ-OE1 3.63Å; R380-E466 VanDerWaalsContact CZ-OE1 3.27Å; R380-E466 IonicContact CZ-OE2 3.71Å; R380-E466 IonicContact NH1-OE1 3.65Å; R380-E466 PolarHBondContact NH1-OE1 3.34Å; R380-E466 IonicContact NH1-OE2 2.84Å; R380-E466 PolarHBondContact NH1-OE2 3.26Å; R380-E466 IonicContact NH2-OE1 3.9Å; R380-E466 PolarHBondContact NH2-OE1 2.78Å; R380-E466 IonicContact NH2-OE2 3.85Å; R464-E466 VanDerWaalsContact C-N 3.29Å; R464-E466 PolarHBondContact O-N 2.93Å; E466-R470 WeakPolarHBondContact O-CG 3.48Å; E466-R470 PolarHBondContact O-N 2.99Å; E466-R470 PolarHBondContact O-NE 2.86Å
467	E	84.7	Confident	84.1	Confident	65 Å²	65	53 Å²	53	30%	0.304	26%	0.258	S	S	.	.	H	α-helix	trans	-71.1	-44.9	173	-77.1	176	-150.1	0	0	110.4	F408 R464 S469 R470 F471	F408-E467 HydrophobicContact CE1-CB 4.19Å; F408-E467 HydrophobicContact CZ-CB 4.05Å; R464-E467 HydrophobicContact CB-CB 4.13Å; R464-E467 VanDerWaalsContact CD-CD 3.42Å; R464-E467 WeakPolarHBondContact CD-OE1 3.31Å; R464-E467 WeakPolarHBondContact CD-OE2 3.44Å; R464-E467 IonicContact CZ-OE1 2.69Å; R464-E467 IonicContact CZ-OE2 2.72Å; R464-E467 IonicContact NE-OE1 3.35Å; R464-E467 IonicContact NE-OE2 2.64Å; R464-E467 IonicContact NH1-OE1 3.9Å; R464-E467 PolarHBondContact NH1-OE1 3.46Å; R464-E467 IonicContact NH1-OE2 3.55Å; R464-E467 PolarHBondContact NH1-OE2 3.5Å; R464-E467 PolarHBondContact O-N 3.21Å; E467-S469 PolarHBondContact O-N 3.33Å; E467-R470 PolarHBondContact O-N 3.09Å; E467-F471 PolarHBondContact O-N 2.95Å
468	Y	86.6	Confident	82.5	Confident	10 Å²	10	56.5 Å²	56.5	4%	0.039	28%	0.277	C	S	.	.	H	α-helix	trans	-62.4	-40.5	176.9	-179.4	-101	0	0	0	112.5	V399 F408 S410 K426 R464 R470 F471 E472	V399-Y468 HydrophobicContact CG2-CE2 3.93Å; F408-Y468 HydrophobicContact CB-CD2 3.46Å; F408-Y468 VanDerWaalsContact CB-CD2 3.46Å; F408-Y468 HydrophobicContact CB-CE2 3.85Å; F408-Y468 HydrophobicContact CD1-CD2 4.01Å; F408-Y468 HydrophobicContact CD2-CD2 4.48Å; F408-Y468 AromaticContact CG-CD2 3.76Å; F408-Y468 HydrophobicContact CG-CD2 3.76Å; S410-Y468 WeakPolarHBondContact CA-OH 3.24Å; S410-Y468 WeakPolarHBondContact CB-OH 3.03Å; K426-Y468 HydrophobicContact CD-CE1 4.45Å; K426-Y468 VanDerWaalsContact CE-CE1 3.43Å; K426-Y468 VanDerWaalsContact CE-OH 3.24Å; K426-Y468 WeakPolarHBondContact CE-OH 3.46Å; K426-Y468 HydrophobicContact CG-CE1 4.17Å; R464-Y468 WeakPolarHBondContact O-CB 3.22Å; R464-Y468 PolarHBondContact O-N 3.35Å; Y468-R470 PolarHBondContact O-N 3.19Å; Y468-F471 CarbonylContact O-C 3.54Å; Y468-F471 WeakPolarHBondContact O-CB 3.19Å; Y468-F471 PolarHBondContact O-N 3.04Å; Y468-E472 HydrophobicContact CD1-CG 4.39Å; Y468-E472 HydrophobicContact CE1-CG 3.66Å; Y468-E472 VanDerWaalsContact CE1-OE1 3.22Å; Y468-E472 WeakPolarHBondContact CE1-OE1 3.31Å; Y468-E472 WeakPolarHBondContact CE1-OE2 3.22Å; Y468-E472 HydrophobicContact CE2-CG 4.35Å; Y468-E472 VanDerWaalsContact CZ-OE1 3.23Å; Y468-E472 PolarHBondContact O-N 2.82Å; Y468-E472 VanDerWaalsContact OH-CD 3.28Å; Y468-E472 PolarHBondContact OH-OE1 2.84Å
469	S	81.2	Confident	80.7	Confident	68 Å²	68	62.9 Å²	62.9	48%	0.476	30%	0.296	S	S	.	.	H	α-helix	trans	-65.1	-38.4	176.6	-61.5	0	0	0	0	112.2	P465 E467 F471 E472 A473	P465-S469 VanDerWaalsContact O-CB 3.24Å; P465-S469 WeakPolarHBondContact O-CB 3.36Å; P465-S469 PolarHBondContact O-N 2.99Å; P465-S469 PolarHBondContact O-OG 3.05Å; E467-S469 PolarHBondContact O-N 3.33Å; S469-F471 VanDerWaalsContact C-N 3.33Å; S469-E472 PolarHBondContact O-N 3.46Å; S469-A473 WeakPolarHBondContact O-CB 3.13Å; S469-A473 PolarHBondContact O-N 2.97Å
470	R	81.4	Confident	78.8	Confident	166 Å²	166	67.4 Å²	67.4	63%	0.626	32%	0.318	S	S	*	.	H	α-helix	trans	-65	-38.3	172.4	-77.7	-175.2	-70.7	148.9	-8	111.8	E466 E467 Y468 K474	E466-R470 WeakPolarHBondContact O-CG 3.48Å; E466-R470 PolarHBondContact O-N 2.99Å; E466-R470 PolarHBondContact O-NE 2.86Å; E467-R470 PolarHBondContact O-N 3.09Å; Y468-R470 PolarHBondContact O-N 3.19Å; R470-K474 WeakPolarHBondContact O-CB 3.43Å; R470-K474 PolarHBondContact O-N 3.15Å
471	F	79.6	Confident	76.6	Confident	18 Å²	18	68.8 Å²	68.8	8%	0.079	32%	0.323	C	S	.	.	H	α-helix	trans	-65.6	-46.9	174.6	175	-92.6	0	0	0	111.9	V399 E405 E467 Y468 S469 A473 K474 I475	V399-F471 HydrophobicContact CB-CE1 3.85Å; V399-F471 HydrophobicContact CB-CZ 4.24Å; V399-F471 HydrophobicContact CG2-CD1 4.23Å; V399-F471 HydrophobicContact CG2-CE1 3.56Å; V399-F471 HydrophobicContact CG2-CZ 4.34Å; E405-F471 HydrophobicContact CB-CD2 4.43Å; E405-F471 HydrophobicContact CB-CE2 4.5Å; E405-F471 HydrophobicContact CG-CD2 4.46Å; E467-F471 PolarHBondContact O-N 2.95Å; Y468-F471 CarbonylContact O-C 3.54Å; Y468-F471 WeakPolarHBondContact O-CB 3.19Å; Y468-F471 PolarHBondContact O-N 3.04Å; S469-F471 VanDerWaalsContact C-N 3.33Å; F471-A473 VanDerWaalsContact C-N 3.32Å; F471-A473 PolarHBondContact O-N 2.81Å; F471-K474 PolarHBondContact O-N 3.35Å; F471-I475 HydrophobicContact CD1-CG1 4.29Å; F471-I475 HydrophobicContact CD2-CG1 4.41Å; F471-I475 HydrophobicContact CE1-CG1 3.78Å; F471-I475 HydrophobicContact CE2-CD1 4.12Å; F471-I475 HydrophobicContact CE2-CG1 3.91Å; F471-I475 HydrophobicContact CZ-CD1 3.94Å; F471-I475 HydrophobicContact CZ-CG1 3.57Å; F471-I475 WeakPolarHBondContact O-CG1 3.23Å; F471-I475 PolarHBondContact O-N 2.75Å
472	E	79.3	Confident	74.4	Confident	77 Å²	77	74.5 Å²	74.5	36%	0.36	35%	0.353	S	S	.	.	H	α-helix	trans	-59.9	-41.9	175	-87	-170.2	160	0	0	111.5	K426 Y468 S469 I475 H476	K426-E472 VanDerWaalsContact CE-OE1 3.28Å; K426-E472 WeakPolarHBondContact CE-OE1 2.97Å; K426-E472 IonicContact NZ-OE1 2.86Å; K426-E472 PolarHBondContact NZ-OE1 2.79Å; K426-E472 IonicContact NZ-OE2 3.83Å; Y468-E472 HydrophobicContact CD1-CG 4.39Å; Y468-E472 HydrophobicContact CE1-CG 3.66Å; Y468-E472 VanDerWaalsContact CE1-OE1 3.22Å; Y468-E472 WeakPolarHBondContact CE1-OE1 3.31Å; Y468-E472 WeakPolarHBondContact CE1-OE2 3.22Å; Y468-E472 HydrophobicContact CE2-CG 4.35Å; Y468-E472 VanDerWaalsContact CZ-OE1 3.23Å; Y468-E472 PolarHBondContact O-N 2.82Å; Y468-E472 VanDerWaalsContact OH-CD 3.28Å; Y468-E472 PolarHBondContact OH-OE1 2.84Å; S469-E472 PolarHBondContact O-N 3.46Å; E472-I475 PolarHBondContact O-N 3.03Å; E472-H476 VanDerWaalsContact O-CB 3.25Å; E472-H476 WeakPolarHBondContact O-CB 3.48Å; E472-H476 PolarHBondContact O-N 2.83Å
473	A	73.3	Confident	72.2	Confident	46 Å²	46	80.4 Å²	80.4	38%	0.38	38%	0.382	S	S	.	.	H	α-helix	trans	-62.4	-46	174.3	0	0	0	0	0	111.9	S469 F471 I475 H476 D477	S469-A473 WeakPolarHBondContact O-CB 3.13Å; S469-A473 PolarHBondContact O-N 2.97Å; F471-A473 VanDerWaalsContact C-N 3.32Å; F471-A473 PolarHBondContact O-N 2.81Å; A473-I475 PolarHBondContact O-N 2.9Å; A473-H476 WeakPolarHBondContact O-CB 3.26Å; A473-H476 PolarHBondContact O-N 2.84Å; A473-D477 WeakPolarHBondContact O-CB 3.34Å; A473-D477 PolarHBondContact O-N 2.72Å
474	K	74.3	Confident	70	Confident	95 Å²	95	83.8 Å²	83.8	41%	0.413	40%	0.402	S	S	.	.	H	α-helix	trans	-61.8	-40.7	177.4	-179.1	177.3	170.3	-176.7	0	112.6	E405 R470 F471 L478	E405-K474 IonicContact OE1-NZ 2.78Å; E405-K474 PolarHBondContact OE1-NZ 2.73Å; R470-K474 WeakPolarHBondContact O-CB 3.43Å; R470-K474 PolarHBondContact O-N 3.15Å; F471-K474 PolarHBondContact O-N 3.35Å; K474-L478 VanDerWaalsContact O-CB 3.26Å; K474-L478 WeakPolarHBondContact O-CB 3.5Å; K474-L478 PolarHBondContact O-N 2.86Å
475	I	66.7	Low	67.6	Low	43 Å²	43	84 Å²	84	22%	0.221	41%	0.414	C	S	.	.	H	α-helix	trans	-70.8	-36.9	175.9	-66.6	-63.7	0	0	0	111.3	F471 E472 A473 L478 R479	F471-I475 HydrophobicContact CD1-CG1 4.29Å; F471-I475 HydrophobicContact CD2-CG1 4.41Å; F471-I475 HydrophobicContact CE1-CG1 3.78Å; F471-I475 HydrophobicContact CE2-CD1 4.12Å; F471-I475 HydrophobicContact CE2-CG1 3.91Å; F471-I475 HydrophobicContact CZ-CD1 3.94Å; F471-I475 HydrophobicContact CZ-CG1 3.57Å; F471-I475 WeakPolarHBondContact O-CG1 3.23Å; F471-I475 PolarHBondContact O-N 2.75Å; E472-I475 PolarHBondContact O-N 3.03Å; A473-I475 PolarHBondContact O-N 2.9Å; I475-L478 PolarHBondContact O-N 2.9Å; I475-R479 HydrophobicContact CG2-CG 4.47Å; I475-R479 WeakPolarHBondContact O-CB 3.33Å; I475-R479 WeakPolarHBondContact O-CG 3.44Å; I475-R479 PolarHBondContact O-N 2.96Å
476	H	67.4	Low	65.3	Low	119 Å²	119	88.8 Å²	88.8	55%	0.551	45%	0.448	S	S	*	.	H	α-helix	trans	-62.4	-49	173.3	-171.9	-77.9	0	0	0	110.5	E472 A473 L478 R479 E480	E472-H476 VanDerWaalsContact O-CB 3.25Å; E472-H476 WeakPolarHBondContact O-CB 3.48Å; E472-H476 PolarHBondContact O-N 2.83Å; A473-H476 WeakPolarHBondContact O-CB 3.26Å; A473-H476 PolarHBondContact O-N 2.84Å; H476-L478 VanDerWaalsContact C-N 3.33Å; H476-L478 PolarHBondContact O-N 3.47Å; H476-R479 PolarHBondContact O-N 2.96Å; H476-E480 IonicContact CE1-OE2 2.85Å; H476-E480 IonicContact ND1-OE2 2.74Å; H476-E480 VanDerWaalsContact O-CB 3.27Å; H476-E480 WeakPolarHBondContact O-CB 3.31Å; H476-E480 PolarHBondContact O-N 3.39Å
477	D	68.4	Low	63.1	Low	80 Å²	80	90.8 Å²	90.8	43%	0.428	46%	0.459	S	S	.	.	H	α-helix	trans	-60.7	-40.2	175.9	-66.6	-12	0	0	0	111.6	A473 E480 Q481	A473-D477 WeakPolarHBondContact O-CB 3.34Å; A473-D477 PolarHBondContact O-N 2.72Å; D477-E480 PolarHBondContact O-N 2.81Å; D477-Q481 VanDerWaalsContact O-CB 3.29Å; D477-Q481 WeakPolarHBondContact O-CB 3.2Å; D477-Q481 WeakPolarHBondContact O-CG 3.11Å; D477-Q481 PolarHBondContact O-N 2.84Å
478	L	60.8	Low	60.5	Low	74 Å²	74	91.1 Å²	91.1	39%	0.387	48%	0.479	S	S	.	.	H	α-helix	trans	-70.7	-38.4	178	-167.9	70.6	0	0	0	112.1	K474 I475 H476 E480 Q481 L482	K474-L478 VanDerWaalsContact O-CB 3.26Å; K474-L478 WeakPolarHBondContact O-CB 3.5Å; K474-L478 PolarHBondContact O-N 2.86Å; I475-L478 PolarHBondContact O-N 2.9Å; H476-L478 VanDerWaalsContact C-N 3.33Å; H476-L478 PolarHBondContact O-N 3.47Å; L478-E480 VanDerWaalsContact C-N 3.35Å; L478-Q481 CarbonylContact O-C 3.5Å; L478-Q481 PolarHBondContact O-N 3.31Å; L478-L482 HydrophobicContact CG-CD1 4.33Å; L478-L482 WeakPolarHBondContact O-CB 3.35Å; L478-L482 WeakPolarHBondContact O-CG 3.46Å; L478-L482 PolarHBondContact O-N 2.77Å
479	R	55.4	Low	58.2	Low	172 Å²	172	95.5 Å²	95.5	65%	0.649	51%	0.512	S	S	*	.	H	α-helix	trans	-65.3	-40.7	172.9	-80.7	178.5	178.4	175.3	1	111.2	I475 H476 Q481 L482 M483	I475-R479 HydrophobicContact CG2-CG 4.47Å; I475-R479 WeakPolarHBondContact O-CB 3.33Å; I475-R479 WeakPolarHBondContact O-CG 3.44Å; I475-R479 PolarHBondContact O-N 2.96Å; H476-R479 PolarHBondContact O-N 2.96Å; R479-Q481 VanDerWaalsContact C-N 3.35Å; R479-L482 PolarHBondContact O-N 3.13Å; R479-M483 WeakPolarHBondContact O-CB 3.26Å; R479-M483 WeakPolarHBondContact O-CG 3.45Å; R479-M483 PolarHBondContact O-N 3.01Å
480	E	56.9	Low	55.7	Low	95 Å²	95	95.7 Å²	95.7	44%	0.444	53%	0.525	S	S	.	.	H	α-helix	trans	-66.1	-38.5	174.8	-167.6	169	-171.7	0	0	110.9	H476 D477 L478 M483 N484	H476-E480 IonicContact CE1-OE2 2.85Å; H476-E480 IonicContact ND1-OE2 2.74Å; H476-E480 VanDerWaalsContact O-CB 3.27Å; H476-E480 WeakPolarHBondContact O-CB 3.31Å; H476-E480 PolarHBondContact O-N 3.39Å; D477-E480 PolarHBondContact O-N 2.81Å; L478-E480 VanDerWaalsContact C-N 3.35Å; E480-M483 PolarHBondContact O-N 2.88Å; E480-N484 WeakPolarHBondContact O-CB 3.35Å; E480-N484 PolarHBondContact O-N 3.47Å; E480-N484 PolarHBondContact O-ND2 3.41Å
481	Q	50.1	Low	53.4	Low	86 Å²	86	93.4 Å²	93.4	40%	0.402	53%	0.529	S	S	.	.	H	α-helix	trans	-68.1	-33.5	171.5	-74.8	169.9	31.7	0	0	113.4	D477 L478 R479 N484 S485	D477-Q481 VanDerWaalsContact O-CB 3.29Å; D477-Q481 WeakPolarHBondContact O-CB 3.2Å; D477-Q481 WeakPolarHBondContact O-CG 3.11Å; D477-Q481 PolarHBondContact O-N 2.84Å; L478-Q481 CarbonylContact O-C 3.5Å; L478-Q481 PolarHBondContact O-N 3.31Å; R479-Q481 VanDerWaalsContact C-N 3.35Å; Q481-N484 CarbonylContact O-C 3.58Å; Q481-N484 PolarHBondContact O-N 2.86Å; Q481-S485 WeakPolarHBondContact O-CB 3.43Å; Q481-S485 PolarHBondContact O-N 3.27Å; Q481-S485 PolarHBondContact O-OG 2.64Å
482	L	48.8	Very low	51.4	Low	120 Å²	120	98.4 Å²	98.4	63%	0.628	56%	0.562	S	S	*	*	H	α-helix	trans	-75.5	-32.7	175.9	-79.4	165.4	0	0	0	112.3	L478 R479 S485	L478-L482 HydrophobicContact CG-CD1 4.33Å; L478-L482 WeakPolarHBondContact O-CB 3.35Å; L478-L482 WeakPolarHBondContact O-CG 3.46Å; L478-L482 PolarHBondContact O-N 2.77Å; R479-L482 PolarHBondContact O-N 3.13Å; L482-S485 VanDerWaalsContact CA-OG 3.26Å; L482-S485 WeakPolarHBondContact CA-OG 3.24Å; L482-S485 PolarHBondContact O-OG 3.4Å
483	M	49.4	Very low	49.4	Very low	157 Å²	157	100.5 Å²	100.5	77%	0.773	58%	0.579	S	S	*	*	H	α-helix	trans	-71.8	-32.8	168.5	-73.3	176.1	165.7	0	0	111.6	R479 E480	R479-M483 WeakPolarHBondContact O-CB 3.26Å; R479-M483 WeakPolarHBondContact O-CG 3.45Å; R479-M483 PolarHBondContact O-N 3.01Å; E480-M483 PolarHBondContact O-N 2.88Å
484	N	46.9	Very low	47.9	Very low	96 Å²	96	104.6 Å²	104.6	51%	0.513	59%	0.594	S	S	.	*	H	α-helix	trans	-89.1	-5.3	177.8	-70.6	-21.8	0	0	0	114.5	E480 Q481 S486 M487	E480-N484 WeakPolarHBondContact O-CB 3.35Å; E480-N484 PolarHBondContact O-N 3.47Å; E480-N484 PolarHBondContact O-ND2 3.41Å; Q481-N484 CarbonylContact O-C 3.58Å; Q481-N484 PolarHBondContact O-N 2.86Å; N484-S486 VanDerWaalsContact C-N 3.3Å; N484-S486 PolarHBondContact O-N 3.46Å; N484-M487 CarbonylContact O-C 3.59Å; N484-M487 VanDerWaalsContact O-CA 3.26Å; N484-M487 WeakPolarHBondContact O-CA 3.31Å; N484-M487 PolarHBondContact O-N 3.37Å
485	S	39.6	Very low	46	Very low	72 Å²	72	110.3 Å²	110.3	50%	0.503	61%	0.613	S	S	.	*	T	Hydrogen-bonded Turn	trans	-88.2	12.5	180	39.1	0	0	0	0	114.7	Q481 L482	Q481-S485 WeakPolarHBondContact O-CB 3.43Å; Q481-S485 PolarHBondContact O-N 3.27Å; Q481-S485 PolarHBondContact O-OG 2.64Å; L482-S485 VanDerWaalsContact CA-OG 3.26Å; L482-S485 WeakPolarHBondContact CA-OG 3.24Å; L482-S485 PolarHBondContact O-OG 3.4Å
486	S	34.2	Very low	44.6	Very low	114 Å²	114	113.1 Å²	113.1	80%	0.797	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73	-8.7	144.7	103.9	0	0	0	0	112.3	N484	N484-S486 VanDerWaalsContact C-N 3.3Å; N484-S486 PolarHBondContact O-N 3.46Å
487	M	39.5	Very low	43	Very low	133 Å²	133	113.3 Å²	113.3	66%	0.655	64%	0.642	S	S	*	*	S	Bend	trans	-149.2	77.4	168.8	-64.7	-160.3	86.9	0	0	113.2	N484	N484-M487 CarbonylContact O-C 3.59Å; N484-M487 VanDerWaalsContact O-CA 3.26Å; N484-M487 WeakPolarHBondContact O-CA 3.31Å; N484-M487 PolarHBondContact O-N 3.37Å
488	G	31.1	Very low	41.6	Very low	72 Å²	72	115 Å²	115	74%	0.742	66%	0.657	S	S	*	*			trans	49.7	113.1	145.7	0	0	0	0	0	121.3
489	S	37.3	Very low	40.9	Very low	102 Å²	102	120.5 Å²	120.5	71%	0.713	68%	0.678	S	S	*	*			trans	-73	154.9	178.8	-167.7	0	0	0	0	116.3
490	G	29.9	Very low	41.1	Very low	73 Å²	73	121.4 Å²	121.4	75%	0.753	68%	0.682	S	S	*	*			trans	163.4	105.7	160.4	0	0	0	0	0	116
491	T	32.2	Very low	42.1	Very low	118 Å²	118	118.2 Å²	118.2	72%	0.724	67%	0.674	S	S	*	*			trans	-63.8	144.2	179.3	34.3	0	0	0	0	116.8
492	T	38.8	Very low	44	Very low	123 Å²	123	116.6 Å²	116.6	76%	0.755	67%	0.666	S	S	*	*	S	Bend	trans	72	131.3	148.3	57.9	0	0	0	0	120.3
493	T	36	Very low	46.1	Very low	120 Å²	120	114.4 Å²	114.4	74%	0.736	65%	0.649	S	S	*	*			trans	82.1	118.3	-172.8	72.1	0	0	0	0	113.9	R495	T493-R495 PolarHBondContact O-N 2.9Å
494	L	41.7	Very low	48.2	Very low	132 Å²	132	107 Å²	107	69%	0.691	61%	0.613	S	S	*	*			trans	-61.8	73.3	165	-72.5	163.4	0	0	0	108.7
495	R	34.7	Very low	50.4	Low	216 Å²	216	103.3 Å²	103.3	82%	0.815	59%	0.592	S	S	*	*			trans	-108.2	98.6	160.6	-78.2	-170.5	178.2	-131.1	-0.9	106.6	T493 N497	T493-R495 PolarHBondContact O-N 2.9Å; R495-N497 PolarHBondContact O-N 2.78Å
496	S	36.6	Very low	53	Low	101 Å²	101	99.9 Å²	99.9	71%	0.706	57%	0.568	S	S	*	*			trans	10.8	96.6	156.1	48.6	0	0	0	0	115	P498	S496-P498 WeakPolarHBondContact O-CD 3.17Å
497	N	34.2	Very low	55.8	Low	123 Å²	123	95.1 Å²	95.1	66%	0.658	53%	0.533	S	S	*	.			trans	-84.2	103.4	144.9	-161.9	-3.7	0	0	0	105.8	R495 K499 R500	R495-N497 PolarHBondContact O-N 2.78Å; N497-K499 PolarHBondContact O-N 2.78Å; N497-R500 PolarHBondContact O-N 3.2Å
498	P	39.1	Very low	58.4	Low	117 Å²	117	90.9 Å²	90.9	76%	0.76	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	13.9	-170.7	26	-34.8	0	0	0	114.8	S496	S496-P498 WeakPolarHBondContact O-CD 3.17Å
499	K	45.6	Very low	61.2	Low	189 Å²	189	91.2 Å²	91.2	82%	0.822	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.9	-8	-179.9	-73.5	-172.2	176.1	-178.6	0	115.2	N497	N497-K499 PolarHBondContact O-N 2.78Å
500	R	61.3	Low	63.8	Low	191 Å²	191	87.1 Å²	87.1	72%	0.721	47%	0.465	S	S	*	.			trans	-138.1	99.7	171.2	-79.3	-171.9	178.9	178.9	1.4	108.6	N497	N497-R500 PolarHBondContact O-N 3.2Å
501	G	76.8	Confident	66.6	Low	27 Å²	27	88 Å²	88	28%	0.278	45%	0.452	S	S	.	.			trans	-61.5	174.4	164.5	0	0	0	0	0	111.3	H532 V533	G501-H532 WeakPolarHBondContact CA-NE2 3.39Å; G501-V533 CarbonylContact C-O 3.58Å; G501-V533 WeakPolarHBondContact CA-O 3.38Å
502	F	89.5	Confident	69.1	Low	53 Å²	53	87 Å²	87	23%	0.232	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	162.3	176.3	59.1	-89.9	0	0	0	110.4	I504 V533 C536 L799	F502-I504 HydrophobicContact CD2-CG2 3.67Å; F502-I504 HydrophobicContact CE2-CG2 3.53Å; F502-V533 HydrophobicContact CD1-CB 4.39Å; F502-V533 HydrophobicContact CD2-CB 4.16Å; F502-V533 HydrophobicContact CD2-CG2 4.18Å; F502-V533 HydrophobicContact CE1-CB 4.05Å; F502-V533 HydrophobicContact CE1-CG1 3.92Å; F502-V533 HydrophobicContact CE2-CB 3.77Å; F502-V533 HydrophobicContact CE2-CG1 4.16Å; F502-V533 HydrophobicContact CE2-CG2 3.65Å; F502-V533 HydrophobicContact CG-CB 4.45Å; F502-V533 HydrophobicContact CZ-CB 3.72Å; F502-V533 HydrophobicContact CZ-CG1 3.63Å; F502-V533 HydrophobicContact CZ-CG2 3.99Å; F502-V533 PolarHBondContact N-O 3.22Å; F502-V533 PolarHBondContact O-N 2.84Å; F502-C536 HydrophobicContact CE1-CB 4.36Å; F502-C536 HydrophobicContact CZ-CB 4.29Å; F502-L799 HydrophobicContact CD2-CD2 4Å; F502-L799 HydrophobicContact CE2-CD2 3.35Å; F502-L799 HydrophobicContact CZ-CD2 3.98Å
503	Y	92.8	Very high	71.3	Confident	74 Å²	74	85.7 Å²	85.7	29%	0.29	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	138.4	-178	-61.6	-93.4	0	0	0	110.7	V530 L531 H532 V547 V600 W792	Y503-V530 HydrophobicContact CD1-CG1 4.32Å; Y503-L531 CarbonylContact C-O 3.57Å; Y503-L531 WeakPolarHBondContact CA-O 3.31Å; Y503-H532 HydrophobicContact CD1-CB 3.73Å; Y503-H532 HydrophobicContact CE1-CB 3.5Å; Y503-H532 AromaticContact CE1-CD2 3.78Å; Y503-H532 AromaticContact CE1-CG 3.67Å; Y503-H532 AromaticContact CE2-CD2 3.99Å; Y503-H532 AromaticContact CZ-CD2 3.68Å; Y503-H532 AromaticContact CZ-CG 3.93Å; Y503-V547 HydrophobicContact CD1-CG2 3.88Å; Y503-V547 HydrophobicContact CE1-CG2 3.82Å; Y503-V600 PolarHBondContact O-N 2.9Å; Y503-W792 AromaticContact CD1-CH2 3.4Å; Y503-W792 HydrophobicContact CD1-CH2 3.4Å; Y503-W792 HydrophobicContact CD1-CZ2 4.3Å; Y503-W792 AromaticContact CD1-CZ3 3.73Å; Y503-W792 HydrophobicContact CD1-CZ3 3.73Å; Y503-W792 HydrophobicContact CD2-CH2 4.09Å; Y503-W792 AromaticContact CD2-CZ3 3.92Å; Y503-W792 HydrophobicContact CD2-CZ3 3.92Å; Y503-W792 AromaticContact CE1-CH2 3.65Å; Y503-W792 HydrophobicContact CE1-CH2 3.65Å; Y503-W792 HydrophobicContact CE1-CZ2 4.47Å; Y503-W792 HydrophobicContact CE1-CZ3 4.36Å; Y503-W792 HydrophobicContact CE2-CH2 4.33Å; Y503-W792 AromaticContact CG-CH2 3.63Å; Y503-W792 HydrophobicContact CG-CH2 3.63Å; Y503-W792 AromaticContact CG-CZ3 3.47Å; Y503-W792 HydrophobicContact CG-CZ3 3.47Å; Y503-W792 VanDerWaalsContact CG-CZ3 3.47Å
504	I	94	Very high	73.2	Confident	0 Å²	0	83 Å²	83	0%	0	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	150.2	176	63.5	179.6	0	0	0	110.5	F502 V530 L531 V533 W542 I559 Y597 E598 T599 L799	F502-I504 HydrophobicContact CD2-CG2 3.67Å; F502-I504 HydrophobicContact CE2-CG2 3.53Å; I504-V530 CarbonylContact O-C 3.44Å; I504-V530 WeakPolarHBondContact O-CA 3.35Å; I504-L531 HydrophobicContact CD1-CB 4.43Å; I504-L531 HydrophobicContact CD1-CD1 4.43Å; I504-L531 HydrophobicContact CG1-CB 3.85Å; I504-L531 HydrophobicContact CG1-CD1 4.46Å; I504-L531 PolarHBondContact N-O 2.7Å; I504-L531 PolarHBondContact O-N 3.3Å; I504-V533 HydrophobicContact CD1-CG2 3.49Å; I504-V533 VanDerWaalsContact CD1-CG2 3.49Å; I504-V533 HydrophobicContact CG1-CG2 3.8Å; I504-V533 HydrophobicContact CG2-CG2 4.17Å; I504-W542 HydrophobicContact CD1-CE3 4.37Å; I504-W542 HydrophobicContact CD1-CZ3 4.28Å; I504-I559 HydrophobicContact CD1-CD1 3.92Å; I504-Y597 HydrophobicContact CD1-CD1 3.58Å; I504-Y597 HydrophobicContact CD1-CD2 4.28Å; I504-Y597 HydrophobicContact CD1-CE1 4Å; I504-Y597 HydrophobicContact CD1-CG 3.73Å; I504-Y597 HydrophobicContact CG1-CD1 4.29Å; I504-E598 CarbonylContact C-O 3.49Å; I504-E598 WeakPolarHBondContact CA-O 3.08Å; I504-T599 HydrophobicContact CG2-CG2 4.44Å; I504-L799 HydrophobicContact CG2-CD1 3.9Å; I504-L799 HydrophobicContact CG2-CD2 3.92Å; I504-L799 HydrophobicContact CG2-CG 4.46Å
505	R	93.6	Very high	74.6	Confident	20 Å²	20	78 Å²	78	8%	0.075	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	130.9	169.8	-179.8	165.5	66.5	145.6	6.4	109.3	D529 Y597 E598 V600 E761 F763	R505-D529 WeakPolarHBondContact CA-O 3.43Å; R505-Y597 WeakPolarHBondContact O-CA 3.43Å; R505-E598 IonicContact CZ-OE2 3.89Å; R505-E598 PolarHBondContact N-O 2.82Å; R505-E598 IonicContact NE-OE2 2.96Å; R505-E598 PolarHBondContact NE-OE2 2.86Å; R505-E598 IonicContact NH2-OE1 3.11Å; R505-E598 IonicContact NH2-OE2 3.43Å; R505-E598 PolarHBondContact NH2-OE2 2.85Å; R505-E598 PolarHBondContact O-N 2.89Å; R505-V600 HydrophobicContact CB-CG1 3.68Å; R505-V600 HydrophobicContact CB-CG2 4.41Å; R505-E761 PolarHBondContact NH2-O 3.13Å; R505-F763 PolarHBondContact NH1-O 3.11Å; R505-F763 VanDerWaalsContact NH1-O 3.15Å
506	A	94.4	Very high	75.8	Confident	0 Å²	0	73.8 Å²	73.8	0%	0	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	127.8	177.3	0	0	0	0	0	111.1	F525 G528 D529	A506-F525 HydrophobicContact CB-CD2 3.43Å; A506-F525 VanDerWaalsContact CB-CD2 3.43Å; A506-F525 HydrophobicContact CB-CE2 3.54Å; A506-F525 HydrophobicContact CB-CG 4.45Å; A506-G528 PolarHBondContact O-N 3.02Å; A506-D529 PolarHBondContact N-O 2.79Å
507	L	93.5	Very high	76.8	Confident	14 Å²	14	71.5 Å²	71.5	7%	0.073	39%	0.388	C	S	.	.	S	Bend	trans	-101	17.7	175.5	-58.6	-178.6	0	0	0	112.6	F527 H595 S596 E598	L507-F527 HydrophobicContact CB-CE2 4.2Å; L507-F527 HydrophobicContact CD2-CE2 4.17Å; L507-F527 HydrophobicContact CD2-CZ 4.25Å; L507-F527 WeakPolarHBondContact O-CD2 3.15Å; L507-H595 HydrophobicContact CB-CB 4.25Å; L507-S596 PolarHBondContact N-O 2.88Å; L507-S596 VanDerWaalsContact N-O 3.13Å; L507-E598 HydrophobicContact CD1-CB 4.24Å; L507-E598 HydrophobicContact CG-CB 4.46Å
508	F	92.2	Very high	77.9	Confident	43 Å²	43	73.1 Å²	73.1	19%	0.189	39%	0.39	C	S	.	.	S	Bend	trans	-156.8	165.4	178.3	67.4	-78.9	0	0	0	111	F525 F527 V565 S596 Y597	F508-F525 HydrophobicContact CD2-CE2 4.33Å; F508-F525 HydrophobicContact CE1-CE2 4.19Å; F508-F525 HydrophobicContact CE1-CZ 4.29Å; F508-F525 AromaticContact CE2-CE2 3.88Å; F508-F525 HydrophobicContact CE2-CE2 3.88Å; F508-F525 AromaticContact CE2-CZ 3.82Å; F508-F525 HydrophobicContact CE2-CZ 3.82Å; F508-F525 AromaticContact CZ-CE2 3.8Å; F508-F525 HydrophobicContact CZ-CE2 3.8Å; F508-F525 AromaticContact CZ-CZ 3.58Å; F508-F525 HydrophobicContact CZ-CZ 3.58Å; F508-F527 PolarHBondContact O-N 2.96Å; F508-V565 HydrophobicContact CD1-CG1 4.32Å; F508-V565 HydrophobicContact CE1-CG1 3.91Å; F508-V565 HydrophobicContact CE1-CG2 4.07Å; F508-V565 HydrophobicContact CE2-CG1 4.44Å; F508-V565 HydrophobicContact CE2-CG2 4.21Å; F508-V565 HydrophobicContact CZ-CB 4.41Å; F508-V565 HydrophobicContact CZ-CG1 3.98Å; F508-V565 HydrophobicContact CZ-CG2 3.52Å; F508-S596 VanDerWaalsContact CD1-O 3.22Å; F508-S596 WeakPolarHBondContact CD1-O 3.4Å; F508-S596 VanDerWaalsContact CE1-O 3.31Å; F508-S596 WeakPolarHBondContact CE1-O 3.47Å; F508-Y597 HydrophobicContact CE1-CD1 4.16Å; F508-Y597 AromaticContact CE1-CE1 3.7Å; F508-Y597 HydrophobicContact CE1-CE1 3.7Å; F508-Y597 HydrophobicContact CE1-CE2 4.29Å; F508-Y597 AromaticContact CE1-CZ 3.78Å; F508-Y597 AromaticContact CZ-CE1 3.97Å; F508-Y597 HydrophobicContact CZ-CE1 3.97Å; F508-Y597 HydrophobicContact CZ-CE2 4.43Å; F508-Y597 AromaticContact CZ-CZ 3.75Å
509	D	91.7	Very high	79.1	Confident	79 Å²	79	69.5 Å²	69.5	42%	0.422	36%	0.364	S	S	.	.			trans	-87.7	134.3	173	-84.1	18.3	0	0	0	111.2	K526 F527	D509-K526 HydrophobicContact CB-CD 4.44Å; D509-K526 WeakPolarHBondContact OD1-CA 3.42Å; D509-K526 VanDerWaalsContact OD2-CD 3.29Å; D509-K526 WeakPolarHBondContact OD2-CD 3.23Å; D509-K526 IonicContact OD2-NZ 2.66Å; D509-K526 PolarHBondContact OD2-NZ 3.37Å; D509-F527 PolarHBondContact OD1-N 2.97Å
510	Y	91.6	Very high	80.2	Confident	17 Å²	17	66.3 Å²	66.3	7%	0.067	37%	0.365	C	S	.	.	B	Isolated β-bridge	trans	-122.4	112.1	172.3	-179.4	-116.8	0	0	0	111.7	D515 L523 G524 F525 W541 P560	Y510-D515 VanDerWaalsContact CE2-OD2 3.24Å; Y510-D515 WeakPolarHBondContact CE2-OD2 3.17Å; Y510-D515 PolarHBondContact OH-OD2 3.46Å; Y510-L523 VanDerWaalsContact CD1-O 3.28Å; Y510-L523 WeakPolarHBondContact CD1-O 3.37Å; Y510-L523 WeakPolarHBondContact CE1-O 3.45Å; Y510-G524 WeakPolarHBondContact O-CA 3.35Å; Y510-F525 VanDerWaalsContact CB-CE1 3.5Å; Y510-F525 HydrophobicContact CD1-CD1 4.03Å; Y510-F525 AromaticContact CD1-CE1 3.63Å; Y510-F525 HydrophobicContact CD1-CE1 3.63Å; Y510-F525 HydrophobicContact CD1-CZ 4.25Å; Y510-F525 HydrophobicContact CG-CD1 4.44Å; Y510-F525 AromaticContact CG-CE1 3.86Å; Y510-F525 HydrophobicContact CG-CE1 3.86Å; Y510-F525 HydrophobicContact CG-CZ 4.01Å; Y510-F525 PolarHBondContact N-O 3.23Å; Y510-F525 PolarHBondContact O-N 3.25Å; Y510-F525 VanDerWaalsContact O-N 3.08Å; Y510-W541 WeakPolarHBondContact OH-CH2 3.31Å; Y510-W541 WeakPolarHBondContact OH-CZ3 3.38Å; Y510-P560 HydrophobicContact CD1-CG 4.21Å; Y510-P560 HydrophobicContact CD2-CG 3.67Å; Y510-P560 HydrophobicContact CE1-CG 4.02Å; Y510-P560 HydrophobicContact CE2-CG 3.45Å; Y510-P560 VanDerWaalsContact CE2-CG 3.45Å; Y510-P560 HydrophobicContact CG-CG 4.06Å
511	D	89	Confident	81.2	Confident	91 Å²	91	62.7 Å²	62.7	49%	0.487	36%	0.356	S	S	.	.			trans	-88.1	114.8	170.1	-175.8	-12.3	0	0	0	109.8	T513 A514	D511-T513 PolarHBondContact O-N 3.01Å; D511-T513 WeakPolarHBondContact OD1-CB 3.5Å; D511-T513 WeakPolarHBondContact OD1-CG2 3.34Å; D511-T513 PolarHBondContact OD1-N 3.38Å; D511-T513 PolarHBondContact OD1-OG1 3.35Å; D511-T513 PolarHBondContact OD2-OG1 2.79Å; D511-A514 HydrophobicContact CB-CB 4.47Å; D511-A514 WeakPolarHBondContact O-CB 3.5Å; D511-A514 PolarHBondContact O-N 2.77Å
512	K	84.7	Confident	81.6	Confident	98 Å²	98	61.7 Å²	61.7	43%	0.426	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-19.2	178.3	63.8	178.7	178.9	-176.3	0	114	A514 A522	K512-A514 VanDerWaalsContact C-N 3.35Å; K512-A522 HydrophobicContact CB-CB 3.86Å; K512-A522 VanDerWaalsContact CD-O 3.27Å; K512-A522 WeakPolarHBondContact CD-O 3.49Å
513	T	83.8	Confident	81.6	Confident	95 Å²	95	59.6 Å²	59.6	58%	0.583	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-17.4	176.1	71.5	0	0	0	0	113.2	D511 D515 C516	D511-T513 PolarHBondContact O-N 3.01Å; D511-T513 WeakPolarHBondContact OD1-CB 3.5Å; D511-T513 WeakPolarHBondContact OD1-CG2 3.34Å; D511-T513 PolarHBondContact OD1-N 3.38Å; D511-T513 PolarHBondContact OD1-OG1 3.35Å; D511-T513 PolarHBondContact OD2-OG1 2.79Å; T513-D515 PolarHBondContact O-N 2.9Å; T513-C516 PolarHBondContact O-N 2.92Å
514	A	75.9	Confident	81.5	Confident	62 Å²	62	57.4 Å²	57.4	51%	0.512	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-23.8	-175.7	0	0	0	0	0	113.8	D511 K512 C516	D511-A514 HydrophobicContact CB-CB 4.47Å; D511-A514 WeakPolarHBondContact O-CB 3.5Å; D511-A514 PolarHBondContact O-N 2.77Å; K512-A514 VanDerWaalsContact C-N 3.35Å; A514-C516 VanDerWaalsContact C-N 3.3Å
515	D	70.7	Confident	81.4	Confident	28 Å²	28	57.8 Å²	57.8	15%	0.15	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	26	174.7	-65.8	-73.7	0	0	0	112.4	Y510 T513 G517 F518 W541 R564	Y510-D515 VanDerWaalsContact CE2-OD2 3.24Å; Y510-D515 WeakPolarHBondContact CE2-OD2 3.17Å; Y510-D515 PolarHBondContact OH-OD2 3.46Å; T513-D515 PolarHBondContact O-N 2.9Å; D515-G517 PolarHBondContact O-N 3.33Å; D515-F518 WeakPolarHBondContact O-CB 3.45Å; D515-F518 PolarHBondContact O-N 3.5Å; D515-W541 HydrophobicContact CB-CH2 4.14Å; D515-W541 HydrophobicContact CB-CZ2 4.49Å; D515-W541 WeakPolarHBondContact OD2-CH2 3.33Å; D515-R564 IonicContact OD1-CZ 3.59Å; D515-R564 IonicContact OD1-NH2 2.72Å; D515-R564 PolarHBondContact OD1-NH2 3.12Å
516	C	61	Low	81.4	Confident	127 Å²	127	62.5 Å²	62.5	86%	0.858	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	25.5	171.7	-60.1	0	0	0	0	114.9	T513 A514 F518	T513-C516 PolarHBondContact O-N 2.92Å; A514-C516 VanDerWaalsContact C-N 3.3Å; C516-F518 VanDerWaalsContact C-N 3.33Å; C516-F518 PolarHBondContact O-N 2.82Å
517	G	56.8	Low	81.4	Confident	53 Å²	53	63.5 Å²	63.5	55%	0.546	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.7	19.9	-178.2	0	0	0	0	0	114.7	D515 L519	D515-G517 PolarHBondContact O-N 3.33Å; G517-L519 PolarHBondContact O-N 3.18Å; G517-L519 VanDerWaalsContact O-N 3.16Å
518	F	58.7	Low	81.3	Confident	157 Å²	157	63.4 Å²	63.4	69%	0.689	37%	0.366	S	S	*	.	S	Bend	trans	-53.2	-33.2	176.8	-178.9	-103.8	0	0	0	112.7	D515 C516	D515-F518 WeakPolarHBondContact O-CB 3.45Å; D515-F518 PolarHBondContact O-N 3.5Å; C516-F518 VanDerWaalsContact C-N 3.33Å; C516-F518 PolarHBondContact O-N 2.82Å
519	L	63.8	Low	81.3	Confident	41 Å²	41	62.8 Å²	62.8	22%	0.215	37%	0.365	C	S	.	.			trans	-118.1	113.1	169.8	-65.4	168	0	0	0	108.6	G517 Q521 A522 W541 F558	G517-L519 PolarHBondContact O-N 3.18Å; G517-L519 VanDerWaalsContact O-N 3.16Å; L519-Q521 PolarHBondContact O-N 3.44Å; L519-Q521 VanDerWaalsContact O-N 3.12Å; L519-A522 HydrophobicContact CB-CB 4.18Å; L519-A522 WeakPolarHBondContact O-CB 3.41Å; L519-A522 PolarHBondContact O-N 2.92Å; L519-A522 VanDerWaalsContact O-N 3.12Å; L519-W541 HydrophobicContact CD1-CB 4.48Å; L519-W541 HydrophobicContact CD1-CD2 3.37Å; L519-W541 HydrophobicContact CD1-CE3 3.53Å; L519-W541 HydrophobicContact CD1-CG 3.81Å; L519-W541 HydrophobicContact CD1-CH2 4.1Å; L519-W541 HydrophobicContact CD1-CZ2 3.99Å; L519-W541 HydrophobicContact CD1-CZ3 3.9Å; L519-F558 HydrophobicContact CD1-CB 3.66Å; L519-F558 HydrophobicContact CD1-CD2 4.35Å; L519-F558 HydrophobicContact CD1-CG 4.01Å; L519-F558 HydrophobicContact CD2-CD2 4.47Å
520	S	69.1	Low	81.4	Confident	123 Å²	123	59.7 Å²	59.7	86%	0.86	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-17	173.1	55	0	0	0	0	113
521	Q	81.3	Confident	81.4	Confident	114 Å²	114	58.9 Å²	58.9	53%	0.533	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	20.9	179.2	-63.5	177.6	-15.6	0	0	112.6	L519 L523 G557 F558	L519-Q521 PolarHBondContact O-N 3.44Å; L519-Q521 VanDerWaalsContact O-N 3.12Å; Q521-L523 PolarHBondContact O-N 3.08Å; Q521-G557 CarbonylContact O-C 3.14Å; Q521-G557 WeakPolarHBondContact O-CA 3.37Å; Q521-F558 HydrophobicContact CB-CD2 4.08Å; Q521-F558 HydrophobicContact CB-CE2 4.36Å; Q521-F558 PolarHBondContact O-N 3.1Å
522	A	86	Confident	81.6	Confident	7 Å²	7	55.5 Å²	55.5	6%	0.058	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-64.3	132.8	175	0	0	0	0	0	111.1	K512 L519 F558	K512-A522 HydrophobicContact CB-CB 3.86Å; K512-A522 VanDerWaalsContact CD-O 3.27Å; K512-A522 WeakPolarHBondContact CD-O 3.49Å; L519-A522 HydrophobicContact CB-CB 4.18Å; L519-A522 WeakPolarHBondContact O-CB 3.41Å; L519-A522 PolarHBondContact O-N 2.92Å; L519-A522 VanDerWaalsContact O-N 3.12Å; A522-F558 WeakPolarHBondContact CA-O 3.5Å
523	L	89.4	Confident	82	Confident	9 Å²	9	50.9 Å²	50.9	5%	0.047	31%	0.307	C	S	.	.			trans	-99.3	114.7	-179.7	-174.8	68.7	0	0	0	109.5	Y510 Q521 L531 K546 E555 F558 I559	Y510-L523 VanDerWaalsContact CD1-O 3.28Å; Y510-L523 WeakPolarHBondContact CD1-O 3.37Å; Y510-L523 WeakPolarHBondContact CE1-O 3.45Å; Q521-L523 PolarHBondContact O-N 3.08Å; L523-L531 HydrophobicContact CD2-CD2 4.48Å; L523-K546 HydrophobicContact CD2-CB 4.32Å; L523-E555 HydrophobicContact CD1-CB 4.29Å; L523-E555 HydrophobicContact CD1-CG 4.34Å; L523-F558 PolarHBondContact N-O 3.02Å; L523-I559 HydrophobicContact CB-CG2 4Å; L523-I559 HydrophobicContact CD2-CG2 4.2Å; L523-I559 HydrophobicContact CG-CG2 4.48Å
524	G	90.5	Very high	82.2	Confident	28 Å²	28	49.7 Å²	49.7	29%	0.289	30%	0.297	S	S	.	.			trans	-81.7	145.8	175.1	0	0	0	0	0	111.5	Y510	Y510-G524 WeakPolarHBondContact O-CA 3.35Å
525	F	92.6	Very high	82.7	Confident	7 Å²	7	50.9 Å²	50.9	3%	0.031	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-149.9	164.4	179.4	57.3	-97.5	0	0	0	111.7	A506 F508 Y510 D529 L531 I559 Y597	A506-F525 HydrophobicContact CB-CD2 3.43Å; A506-F525 VanDerWaalsContact CB-CD2 3.43Å; A506-F525 HydrophobicContact CB-CE2 3.54Å; A506-F525 HydrophobicContact CB-CG 4.45Å; F508-F525 HydrophobicContact CD2-CE2 4.33Å; F508-F525 HydrophobicContact CE1-CE2 4.19Å; F508-F525 HydrophobicContact CE1-CZ 4.29Å; F508-F525 AromaticContact CE2-CE2 3.88Å; F508-F525 HydrophobicContact CE2-CE2 3.88Å; F508-F525 AromaticContact CE2-CZ 3.82Å; F508-F525 HydrophobicContact CE2-CZ 3.82Å; F508-F525 AromaticContact CZ-CE2 3.8Å; F508-F525 HydrophobicContact CZ-CE2 3.8Å; F508-F525 AromaticContact CZ-CZ 3.58Å; F508-F525 HydrophobicContact CZ-CZ 3.58Å; Y510-F525 VanDerWaalsContact CB-CE1 3.5Å; Y510-F525 HydrophobicContact CD1-CD1 4.03Å; Y510-F525 AromaticContact CD1-CE1 3.63Å; Y510-F525 HydrophobicContact CD1-CE1 3.63Å; Y510-F525 HydrophobicContact CD1-CZ 4.25Å; Y510-F525 HydrophobicContact CG-CD1 4.44Å; Y510-F525 AromaticContact CG-CE1 3.86Å; Y510-F525 HydrophobicContact CG-CE1 3.86Å; Y510-F525 HydrophobicContact CG-CZ 4.01Å; Y510-F525 PolarHBondContact N-O 3.23Å; Y510-F525 PolarHBondContact O-N 3.25Å; Y510-F525 VanDerWaalsContact O-N 3.08Å; F525-D529 WeakPolarHBondContact CA-OD2 3.42Å; F525-D529 HydrophobicContact CB-CB 4.18Å; F525-D529 WeakPolarHBondContact CB-OD2 3.43Å; F525-L531 HydrophobicContact CB-CD2 4.27Å; F525-L531 HydrophobicContact CD1-CD1 3.88Å; F525-L531 HydrophobicContact CD2-CD1 4.49Å; F525-L531 HydrophobicContact CE1-CD1 4.1Å; F525-L531 HydrophobicContact CG-CD1 4.09Å; F525-L531 HydrophobicContact CZ-CD1 4.49Å; F525-I559 HydrophobicContact CD1-CG2 3.91Å; F525-I559 HydrophobicContact CE1-CB 3.87Å; F525-I559 HydrophobicContact CE1-CG2 3.71Å; F525-Y597 HydrophobicContact CE2-CE1 4.18Å; F525-Y597 AromaticContact CZ-CE1 3.81Å; F525-Y597 HydrophobicContact CZ-CE1 3.81Å; F525-Y597 WeakPolarHBondContact CZ-OH 3.29Å
526	K	92.3	Very high	83.5	Confident	120 Å²	120	52.2 Å²	52.2	52%	0.522	31%	0.306	S	S	.	.			trans	-112.9	160.3	178.8	-64.5	-56.2	-167.6	177.7	0	111.4	D509 G528 D529	D509-K526 HydrophobicContact CB-CD 4.44Å; D509-K526 WeakPolarHBondContact OD1-CA 3.42Å; D509-K526 VanDerWaalsContact OD2-CD 3.29Å; D509-K526 WeakPolarHBondContact OD2-CD 3.23Å; D509-K526 IonicContact OD2-NZ 2.66Å; D509-K526 PolarHBondContact OD2-NZ 3.37Å; K526-G528 PolarHBondContact O-N 3.42Å; K526-D529 PolarHBondContact N-OD2 3.24Å; K526-D529 VanDerWaalsContact O-CB 3.25Å; K526-D529 WeakPolarHBondContact O-CB 3.33Å; K526-D529 PolarHBondContact O-N 2.85Å; K526-D529 VanDerWaalsContact O-N 3.07Å
527	F	94.3	Very high	84.6	Confident	20 Å²	20	49.4 Å²	49.4	9%	0.088	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.4	132.4	169.1	-178.1	-80	0	0	0	110.9	L507 F508 D509 D529 I760 F763 V766	L507-F527 HydrophobicContact CB-CE2 4.2Å; L507-F527 HydrophobicContact CD2-CE2 4.17Å; L507-F527 HydrophobicContact CD2-CZ 4.25Å; L507-F527 WeakPolarHBondContact O-CD2 3.15Å; F508-F527 PolarHBondContact O-N 2.96Å; D509-F527 PolarHBondContact OD1-N 2.97Å; F527-D529 VanDerWaalsContact C-N 3.29Å; F527-D529 PolarHBondContact O-N 2.86Å; F527-I760 HydrophobicContact CD2-CD1 4.48Å; F527-I760 HydrophobicContact CD2-CG1 4.44Å; F527-I760 HydrophobicContact CE2-CD1 3.99Å; F527-I760 HydrophobicContact CE2-CG1 3.51Å; F527-I760 HydrophobicContact CZ-CG1 4.04Å; F527-I760 WeakPolarHBondContact CZ-O 3.3Å; F527-F763 HydrophobicContact CE1-CB 4.07Å; F527-F763 HydrophobicContact CZ-CB 4.09Å; F527-V766 HydrophobicContact CD1-CB 4.24Å; F527-V766 HydrophobicContact CD1-CG2 3.68Å; F527-V766 HydrophobicContact CD2-CG2 4.38Å; F527-V766 HydrophobicContact CE1-CG2 3.8Å; F527-V766 HydrophobicContact CE2-CG2 4.5Å; F527-V766 HydrophobicContact CG-CG2 4.01Å; F527-V766 HydrophobicContact CZ-CG2 4.23Å
528	G	92.2	Very high	85.9	Confident	12 Å²	12	51 Å²	51	12%	0.124	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.5	-12.8	179.5	0	0	0	0	0	114.6	A506 K526	A506-G528 PolarHBondContact O-N 3.02Å; K526-G528 PolarHBondContact O-N 3.42Å
529	D	92.2	Very high	87.1	Confident	30 Å²	30	50.4 Å²	50.4	16%	0.16	29%	0.293	C	S	.	.			trans	-60.6	139.1	174.7	-79.4	-24.7	0	0	0	110.9	R505 A506 F525 K526 F527 K546	R505-D529 WeakPolarHBondContact CA-O 3.43Å; A506-D529 PolarHBondContact N-O 2.79Å; F525-D529 WeakPolarHBondContact CA-OD2 3.42Å; F525-D529 HydrophobicContact CB-CB 4.18Å; F525-D529 WeakPolarHBondContact CB-OD2 3.43Å; K526-D529 PolarHBondContact N-OD2 3.24Å; K526-D529 VanDerWaalsContact O-CB 3.25Å; K526-D529 WeakPolarHBondContact O-CB 3.33Å; K526-D529 PolarHBondContact O-N 2.85Å; K526-D529 VanDerWaalsContact O-N 3.07Å; F527-D529 VanDerWaalsContact C-N 3.29Å; F527-D529 PolarHBondContact O-N 2.86Å; D529-K546 VanDerWaalsContact CG-CE 3.44Å; D529-K546 VanDerWaalsContact OD1-CE 3.24Å; D529-K546 WeakPolarHBondContact OD1-CE 3.17Å; D529-K546 IonicContact OD1-NZ 2.83Å; D529-K546 PolarHBondContact OD1-NZ 3.12Å; D529-K546 WeakPolarHBondContact OD2-CE 3.29Å; D529-K546 IonicContact OD2-NZ 2.63Å; D529-K546 PolarHBondContact OD2-NZ 2.76Å
530	V	92.6	Very high	88.1	Confident	15 Å²	15	50.6 Å²	50.6	9%	0.091	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	130.9	173.9	-179.5	0	0	0	0	109.9	Y503 I504 V547 V600 W792	Y503-V530 HydrophobicContact CD1-CG1 4.32Å; I504-V530 CarbonylContact O-C 3.44Å; I504-V530 WeakPolarHBondContact O-CA 3.35Å; V530-V547 HydrophobicContact CB-CB 4.38Å; V530-V547 HydrophobicContact CG1-CB 4.35Å; V530-V547 HydrophobicContact CG1-CG2 4.09Å; V530-V547 PolarHBondContact O-N 3.49Å; V530-V600 HydrophobicContact CG1-CG2 3.99Å; V530-W792 HydrophobicContact CB-CD2 4.47Å; V530-W792 HydrophobicContact CG1-CD2 3.82Å; V530-W792 HydrophobicContact CG1-CE3 4.02Å; V530-W792 HydrophobicContact CG1-CG 4.33Å; V530-W792 HydrophobicContact CG1-CH2 4.29Å; V530-W792 HydrophobicContact CG1-CZ2 4.11Å; V530-W792 HydrophobicContact CG1-CZ3 4.24Å; V530-W792 HydrophobicContact CG2-CB 4.14Å; V530-W792 HydrophobicContact CG2-CD2 4.13Å; V530-W792 HydrophobicContact CG2-CG 3.74Å
531	L	93.4	Very high	89	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	133.4	-176.3	-51.7	173.1	0	0	0	109.2	Y503 I504 L523 F525 A544 R545 K546 I559 Y597	Y503-L531 CarbonylContact C-O 3.57Å; Y503-L531 WeakPolarHBondContact CA-O 3.31Å; I504-L531 HydrophobicContact CD1-CB 4.43Å; I504-L531 HydrophobicContact CD1-CD1 4.43Å; I504-L531 HydrophobicContact CG1-CB 3.85Å; I504-L531 HydrophobicContact CG1-CD1 4.46Å; I504-L531 PolarHBondContact N-O 2.7Å; I504-L531 PolarHBondContact O-N 3.3Å; L523-L531 HydrophobicContact CD2-CD2 4.48Å; F525-L531 HydrophobicContact CB-CD2 4.27Å; F525-L531 HydrophobicContact CD1-CD1 3.88Å; F525-L531 HydrophobicContact CD2-CD1 4.49Å; F525-L531 HydrophobicContact CE1-CD1 4.1Å; F525-L531 HydrophobicContact CG-CD1 4.09Å; F525-L531 HydrophobicContact CZ-CD1 4.49Å; L531-A544 HydrophobicContact CB-CB 4.49Å; L531-R545 CarbonylContact C-O 3.33Å; L531-R545 WeakPolarHBondContact CA-O 3.38Å; L531-K546 HydrophobicContact CD2-CB 4.1Å; L531-K546 HydrophobicContact CD2-CG 4.32Å; L531-I559 HydrophobicContact CD1-CD1 3.76Å; L531-I559 HydrophobicContact CD1-CG2 4.3Å; L531-Y597 HydrophobicContact CD1-CE1 4.35Å
532	H	92.6	Very high	89.5	Confident	19 Å²	19	41.5 Å²	41.5	9%	0.088	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	110.2	170.7	178.7	-142.3	0	0	0	108.8	G501 Y503 L534 A544 R545 V547	G501-H532 WeakPolarHBondContact CA-NE2 3.39Å; Y503-H532 HydrophobicContact CD1-CB 3.73Å; Y503-H532 HydrophobicContact CE1-CB 3.5Å; Y503-H532 AromaticContact CE1-CD2 3.78Å; Y503-H532 AromaticContact CE1-CG 3.67Å; Y503-H532 AromaticContact CE2-CD2 3.99Å; Y503-H532 AromaticContact CZ-CD2 3.68Å; Y503-H532 AromaticContact CZ-CG 3.93Å; H532-L534 VanDerWaalsContact CE1-CD2 3.44Å; H532-L534 WeakPolarHBondContact CE1-CD2 3.35Å; H532-L534 WeakPolarHBondContact ND1-CD2 3.3Å; H532-L534 PolarHBondContact O-N 3.35Å; H532-A544 CarbonylContact O-C 3.51Å; H532-A544 WeakPolarHBondContact O-CA 3.46Å; H532-A544 WeakPolarHBondContact O-CB 3.26Å; H532-R545 HydrophobicContact CB-CG 3.81Å; H532-R545 PolarHBondContact N-O 3.45Å; H532-R545 PolarHBondContact ND1-NE 2.91Å; H532-R545 PolarHBondContact ND1-NH2 2.62Å; H532-R545 PolarHBondContact O-N 3.37Å; H532-V547 HydrophobicContact CB-CG2 4.15Å
533	V	92.1	Very high	89.7	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.006	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	116.6	179.2	-176.1	0	0	0	0	109.1	G501 F502 I504 C536 W542	G501-V533 CarbonylContact C-O 3.58Å; G501-V533 WeakPolarHBondContact CA-O 3.38Å; F502-V533 HydrophobicContact CD1-CB 4.39Å; F502-V533 HydrophobicContact CD2-CB 4.16Å; F502-V533 HydrophobicContact CD2-CG2 4.18Å; F502-V533 HydrophobicContact CE1-CB 4.05Å; F502-V533 HydrophobicContact CE1-CG1 3.92Å; F502-V533 HydrophobicContact CE2-CB 3.77Å; F502-V533 HydrophobicContact CE2-CG1 4.16Å; F502-V533 HydrophobicContact CE2-CG2 3.65Å; F502-V533 HydrophobicContact CG-CB 4.45Å; F502-V533 HydrophobicContact CZ-CB 3.72Å; F502-V533 HydrophobicContact CZ-CG1 3.63Å; F502-V533 HydrophobicContact CZ-CG2 3.99Å; F502-V533 PolarHBondContact N-O 3.22Å; F502-V533 PolarHBondContact O-N 2.84Å; I504-V533 HydrophobicContact CD1-CG2 3.49Å; I504-V533 VanDerWaalsContact CD1-CG2 3.49Å; I504-V533 HydrophobicContact CG1-CG2 3.8Å; I504-V533 HydrophobicContact CG2-CG2 4.17Å; V533-C536 HydrophobicContact CG1-CB 4.1Å; V533-W542 HydrophobicContact CG1-CB 4.37Å; V533-W542 HydrophobicContact CG1-CE3 4.48Å; V533-W542 HydrophobicContact CG2-CE3 4.42Å
534	L	89.2	Confident	89.9	Confident	71 Å²	71	44 Å²	44	37%	0.372	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	-39.2	-179.4	-57.8	176.9	0	0	0	111.5	H532 Q543 V556	H532-L534 VanDerWaalsContact CE1-CD2 3.44Å; H532-L534 WeakPolarHBondContact CE1-CD2 3.35Å; H532-L534 WeakPolarHBondContact ND1-CD2 3.3Å; H532-L534 PolarHBondContact O-N 3.35Å; L534-Q543 PolarHBondContact N-O 2.89Å; L534-V556 HydrophobicContact CD1-CG1 3.73Å; L534-V556 HydrophobicContact CD1-CG2 4.07Å
535	D	85.9	Confident	89.9	Confident	87 Å²	87	45.7 Å²	45.7	47%	0.465	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	129.2	178.6	-170.2	1.1	0	0	0	110.4	G537 W542 Q543	D535-G537 PolarHBondContact OD1-N 2.93Å; D535-W542 CarbonylContact O-C 3.58Å; D535-W542 WeakPolarHBondContact O-CA 3.39Å; D535-Q543 HydrophobicContact CB-CB 3.99Å; D535-Q543 PolarHBondContact N-O 3.28Å; D535-Q543 PolarHBondContact O-N 2.62Å
536	C	88.5	Confident	89.7	Confident	56 Å²	56	49.2 Å²	49.2	38%	0.378	26%	0.258	S	S	.	.			trans	-120.4	16.6	177.2	68	0	0	0	0	112.6	F502 V533 D538 W542	F502-C536 HydrophobicContact CE1-CB 4.36Å; F502-C536 HydrophobicContact CZ-CB 4.29Å; V533-C536 HydrophobicContact CG1-CB 4.1Å; C536-D538 VanDerWaalsContact C-N 3.33Å; C536-D538 PolarHBondContact O-N 3.2Å; C536-W542 HydrophobicContact CB-CD2 4.1Å; C536-W542 HydrophobicContact CB-CG 4.1Å; C536-W542 HydrophobicContact CB-CZ2 4.42Å
537	G	82.1	Confident	89.4	Confident	68 Å²	68	45 Å²	45	70%	0.701	24%	0.243	S	C	*	.			trans	-71.3	-21.4	-175	0	0	0	0	0	115.1	D535	D535-G537 PolarHBondContact OD1-N 2.93Å
538	D	84.2	Confident	88.4	Confident	85 Å²	85	46.2 Å²	46.2	46%	0.455	25%	0.253	S	S	.	.	S	Bend	trans	-92.4	133.2	175.7	179.9	-58.4	0	0	0	110.9	C536 E540 W541 W542	C536-D538 VanDerWaalsContact C-N 3.33Å; C536-D538 PolarHBondContact O-N 3.2Å; D538-E540 VanDerWaalsContact C-N 3.27Å; D538-E540 PolarHBondContact O-N 3.32Å; D538-E540 WeakPolarHBondContact OD1-CA 3.45Å; D538-E540 PolarHBondContact OD1-N 3.17Å; D538-W541 WeakPolarHBondContact CB-O 3.27Å; D538-W541 PolarHBondContact OD1-N 2.64Å; D538-W542 VanDerWaalsContact O-CD1 3.32Å; D538-W542 PolarHBondContact O-NE1 2.84Å
539	E	83.8	Confident	87.1	Confident	145 Å²	145	50.9 Å²	50.9	68%	0.678	28%	0.282	S	S	*	.	S	Bend	trans	-72.7	-16.1	-174.1	-67.9	-169.8	164	0	0	113.8	S561	E539-S561 WeakPolarHBondContact O-CB 3.1Å; E539-S561 PolarHBondContact O-OG 3.16Å
540	E	85.7	Confident	85.3	Confident	45 Å²	45	56 Å²	56	21%	0.21	31%	0.305	C	S	.	.	S	Bend	trans	-109.7	-32.7	-178.6	-68.2	-65.7	122.8	0	0	112.7	D538 S561 R564 R567	D538-E540 VanDerWaalsContact C-N 3.27Å; D538-E540 PolarHBondContact O-N 3.32Å; D538-E540 WeakPolarHBondContact OD1-CA 3.45Å; D538-E540 PolarHBondContact OD1-N 3.17Å; E540-S561 PolarHBondContact O-N 2.54Å; E540-S561 PolarHBondContact O-OG 3.27Å; E540-R564 WeakPolarHBondContact O-CD 3.32Å; E540-R564 WeakPolarHBondContact OE2-CD 3.41Å; E540-R564 IonicContact OE2-CZ 2.67Å; E540-R564 IonicContact OE2-NH1 2.8Å; E540-R564 PolarHBondContact OE2-NH1 2.95Å; E540-R567 IonicContact OE1-CZ 3.58Å; E540-R567 IonicContact OE1-NH1 3.42Å; E540-R567 PolarHBondContact OE1-NH1 3.12Å; E540-R567 IonicContact OE1-NH2 2.77Å; E540-R567 PolarHBondContact OE1-NH2 3.39Å; E540-R567 IonicContact OE2-NH1 3.49Å; E540-R567 PolarHBondContact OE2-NH1 3.42Å
541	W	88.8	Confident	83.3	Confident	25 Å²	25	62.1 Å²	62.1	10%	0.095	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	124.8	-171.9	-64.2	100.1	0	0	0	112.3	Y510 D515 L519 D538 F558 I559 P560	Y510-W541 WeakPolarHBondContact OH-CH2 3.31Å; Y510-W541 WeakPolarHBondContact OH-CZ3 3.38Å; D515-W541 HydrophobicContact CB-CH2 4.14Å; D515-W541 HydrophobicContact CB-CZ2 4.49Å; D515-W541 WeakPolarHBondContact OD2-CH2 3.33Å; L519-W541 HydrophobicContact CD1-CB 4.48Å; L519-W541 HydrophobicContact CD1-CD2 3.37Å; L519-W541 HydrophobicContact CD1-CE3 3.53Å; L519-W541 HydrophobicContact CD1-CG 3.81Å; L519-W541 HydrophobicContact CD1-CH2 4.1Å; L519-W541 HydrophobicContact CD1-CZ2 3.99Å; L519-W541 HydrophobicContact CD1-CZ3 3.9Å; D538-W541 WeakPolarHBondContact CB-O 3.27Å; D538-W541 PolarHBondContact OD1-N 2.64Å; W541-F558 HydrophobicContact CB-CD1 4.21Å; W541-F558 HydrophobicContact CE3-CB 4.17Å; W541-I559 CarbonylContact C-O 3.55Å; W541-I559 WeakPolarHBondContact CA-O 3.41Å; W541-P560 HydrophobicContact CZ3-CG 4.11Å
542	W	91.8	Very high	81.2	Confident	22 Å²	22	69.2 Å²	69.2	8%	0.083	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	143.1	173.3	-65	-12.4	0	0	0	110.6	I504 V533 D535 C536 D538 F558 I559 K562 Y597	I504-W542 HydrophobicContact CD1-CE3 4.37Å; I504-W542 HydrophobicContact CD1-CZ3 4.28Å; V533-W542 HydrophobicContact CG1-CB 4.37Å; V533-W542 HydrophobicContact CG1-CE3 4.48Å; V533-W542 HydrophobicContact CG2-CE3 4.42Å; D535-W542 CarbonylContact O-C 3.58Å; D535-W542 WeakPolarHBondContact O-CA 3.39Å; C536-W542 HydrophobicContact CB-CD2 4.1Å; C536-W542 HydrophobicContact CB-CG 4.1Å; C536-W542 HydrophobicContact CB-CZ2 4.42Å; D538-W542 VanDerWaalsContact O-CD1 3.32Å; D538-W542 PolarHBondContact O-NE1 2.84Å; W542-F558 CarbonylContact O-C 3.59Å; W542-F558 VanDerWaalsContact O-CA 3.31Å; W542-F558 WeakPolarHBondContact O-CA 3.31Å; W542-I559 HydrophobicContact CB-CD1 4.42Å; W542-I559 HydrophobicContact CB-CG1 3.89Å; W542-I559 PolarHBondContact N-O 3Å; W542-I559 PolarHBondContact O-N 3.38Å; W542-K562 HydrophobicContact CH2-CB 3.36Å; W542-K562 HydrophobicContact CZ2-CB 3.82Å; W542-K562 HydrophobicContact CZ3-CB 4.07Å; W542-Y597 HydrophobicContact CZ3-CD2 4.04Å; W542-Y597 HydrophobicContact CZ3-CE2 4.32Å
543	Q	90.3	Very high	79.1	Confident	68 Å²	68	73.5 Å²	73.5	32%	0.318	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	123.7	170.4	-165.5	177.4	25.6	0	0	108.8	L534 D535 V556 G557 F558	L534-Q543 PolarHBondContact N-O 2.89Å; D535-Q543 HydrophobicContact CB-CB 3.99Å; D535-Q543 PolarHBondContact N-O 3.28Å; D535-Q543 PolarHBondContact O-N 2.62Å; Q543-V556 HydrophobicContact CG-CG1 3.8Å; Q543-G557 WeakPolarHBondContact CA-O 3.48Å; Q543-F558 HydrophobicContact CB-CE1 4.35Å
544	A	92.6	Very high	77.7	Confident	0 Å²	0	76.3 Å²	76.3	0%	0	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	166.7	-178.1	0	0	0	0	0	111.2	L531 H532 G557 I559	L531-A544 HydrophobicContact CB-CB 4.49Å; H532-A544 CarbonylContact O-C 3.51Å; H532-A544 WeakPolarHBondContact O-CA 3.46Å; H532-A544 WeakPolarHBondContact O-CB 3.26Å; A544-G557 PolarHBondContact N-O 3.23Å; A544-G557 PolarHBondContact O-N 3.3Å; A544-I559 HydrophobicContact CB-CD1 3.62Å; A544-I559 HydrophobicContact CB-CG1 3.93Å; A544-I559 HydrophobicContact CB-CG2 4.27Å
545	R	90.3	Very high	77	Confident	64 Å²	64	78.5 Å²	78.5	24%	0.242	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	146.1	169.1	65.4	-176.9	-166.7	-172.2	-3.6	109.7	L531 H532 E554 V556	L531-R545 CarbonylContact C-O 3.33Å; L531-R545 WeakPolarHBondContact CA-O 3.38Å; H532-R545 HydrophobicContact CB-CG 3.81Å; H532-R545 PolarHBondContact N-O 3.45Å; H532-R545 PolarHBondContact ND1-NE 2.91Å; H532-R545 PolarHBondContact ND1-NH2 2.62Å; H532-R545 PolarHBondContact O-N 3.37Å; R545-E554 HydrophobicContact CB-CB 4.23Å; R545-E554 WeakPolarHBondContact CD-OE2 3.39Å; R545-E554 HydrophobicContact CG-CB 4.46Å; R545-E554 VanDerWaalsContact CZ-CD 3.47Å; R545-E554 IonicContact CZ-OE1 2.68Å; R545-E554 IonicContact CZ-OE2 3.71Å; R545-E554 VanDerWaalsContact NE-CD 3.33Å; R545-E554 IonicContact NE-OE1 3.75Å; R545-E554 PolarHBondContact NE-OE1 3.42Å; R545-E554 VanDerWaalsContact NE-OE1 3.16Å; R545-E554 IonicContact NE-OE2 3.29Å; R545-E554 PolarHBondContact NE-OE2 2.99Å; R545-E554 IonicContact NH1-OE1 2.58Å; R545-E554 IonicContact NH1-OE2 2.91Å; R545-E554 PolarHBondContact NH1-OE2 3.2Å; R545-E554 IonicContact NH2-OE1 3.5Å; R545-E554 IonicContact NH2-OE2 3.62Å; R545-V556 HydrophobicContact CB-CG2 4.08Å
546	K	89.7	Confident	77.1	Confident	80 Å²	80	77.3 Å²	77.3	35%	0.348	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	131.8	174.8	-177.5	170.5	174.4	163.9	0	109.4	L523 D529 L531	L523-K546 HydrophobicContact CD2-CB 4.32Å; D529-K546 VanDerWaalsContact CG-CE 3.44Å; D529-K546 VanDerWaalsContact OD1-CE 3.24Å; D529-K546 WeakPolarHBondContact OD1-CE 3.17Å; D529-K546 IonicContact OD1-NZ 2.83Å; D529-K546 PolarHBondContact OD1-NZ 3.12Å; D529-K546 WeakPolarHBondContact OD2-CE 3.29Å; D529-K546 IonicContact OD2-NZ 2.63Å; D529-K546 PolarHBondContact OD2-NZ 2.76Å; L531-K546 HydrophobicContact CD2-CB 4.1Å; L531-K546 HydrophobicContact CD2-CG 4.32Å
547	V	86.1	Confident	77.1	Confident	32 Å²	32	74.7 Å²	74.7	19%	0.194	41%	0.408	C	S	.	.			trans	-82.5	123	175.8	-177.9	0	0	0	0	108.5	Y503 V530 H532 W792	Y503-V547 HydrophobicContact CD1-CG2 3.88Å; Y503-V547 HydrophobicContact CE1-CG2 3.82Å; V530-V547 HydrophobicContact CB-CB 4.38Å; V530-V547 HydrophobicContact CG1-CB 4.35Å; V530-V547 HydrophobicContact CG1-CG2 4.09Å; V530-V547 PolarHBondContact O-N 3.49Å; H532-V547 HydrophobicContact CB-CG2 4.15Å; V547-W792 HydrophobicContact CG1-CZ2 4Å
548	S	72.6	Confident	77.5	Confident	45 Å²	45	74.1 Å²	74.1	32%	0.315	39%	0.387	S	S	.	.			trans	-108.1	140.3	174.8	176.5	0	0	0	0	110.7	Q550	S548-Q550 PolarHBondContact O-N 2.81Å; S548-Q550 PolarHBondContact OG-N 2.66Å; S548-Q550 PolarHBondContact OG-OE1 2.8Å
549	P	63.7	Low	77.9	Confident	110 Å²	110	70 Å²	70	71%	0.714	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-27.5	173.3	-19.9	30.9	0	0	0	113.8
550	Q	55.7	Low	78.3	Confident	138 Å²	138	63.4 Å²	63.4	65%	0.645	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	6	-173	-68.3	85.4	11.7	0	0	115.4	S548 E552	S548-Q550 PolarHBondContact O-N 2.81Å; S548-Q550 PolarHBondContact OG-N 2.66Å; S548-Q550 PolarHBondContact OG-OE1 2.8Å; Q550-E552 PolarHBondContact O-N 3.35Å
551	N	51	Low	78.6	Confident	143 Å²	143	61.3 Å²	61.3	77%	0.765	33%	0.325	S	S	*	.			trans	55.4	22.9	177	-144.8	23.7	0	0	0	114.5
552	E	48.9	Very low	78.7	Confident	150 Å²	150	62.1 Å²	62.1	70%	0.701	33%	0.329	S	S	*	.			trans	-72.3	149.6	171	-73.4	-172.3	162.5	0	0	110.5	Q550 E554	Q550-E552 PolarHBondContact O-N 3.35Å; E552-E554 PolarHBondContact O-N 3.25Å
553	A	48.3	Very low	78.5	Confident	108 Å²	108	65.6 Å²	65.6	89%	0.893	35%	0.346	S	S	*	.			trans	-41.4	107.3	-169.5	0	0	0	0	0	113.2	E555	A553-E555 PolarHBondContact O-N 3.13Å
554	E	63.2	Low	78.4	Confident	61 Å²	61	65.5 Å²	65.5	29%	0.285	34%	0.343	S	S	.	.			trans	-70	113.1	-174.7	-62.1	169.4	130.2	0	0	110.2	R545 E552 V556	R545-E554 HydrophobicContact CB-CB 4.23Å; R545-E554 WeakPolarHBondContact CD-OE2 3.39Å; R545-E554 HydrophobicContact CG-CB 4.46Å; R545-E554 VanDerWaalsContact CZ-CD 3.47Å; R545-E554 IonicContact CZ-OE1 2.68Å; R545-E554 IonicContact CZ-OE2 3.71Å; R545-E554 VanDerWaalsContact NE-CD 3.33Å; R545-E554 IonicContact NE-OE1 3.75Å; R545-E554 PolarHBondContact NE-OE1 3.42Å; R545-E554 VanDerWaalsContact NE-OE1 3.16Å; R545-E554 IonicContact NE-OE2 3.29Å; R545-E554 PolarHBondContact NE-OE2 2.99Å; R545-E554 IonicContact NH1-OE1 2.58Å; R545-E554 IonicContact NH1-OE2 2.91Å; R545-E554 PolarHBondContact NH1-OE2 3.2Å; R545-E554 IonicContact NH2-OE1 3.5Å; R545-E554 IonicContact NH2-OE2 3.62Å; E552-E554 PolarHBondContact O-N 3.25Å; E554-V556 PolarHBondContact O-N 2.96Å; E554-V556 VanDerWaalsContact O-N 3.11Å
555	E	73.9	Confident	78.2	Confident	116 Å²	116	66.1 Å²	66.1	54%	0.542	35%	0.347	S	S	.	.			trans	-66.5	110.2	172.3	-169.1	177.7	-174.8	0	0	108.8	L523 A553	L523-E555 HydrophobicContact CD1-CB 4.29Å; L523-E555 HydrophobicContact CD1-CG 4.34Å; A553-E555 PolarHBondContact O-N 3.13Å
556	V	87	Confident	78	Confident	62 Å²	62	65 Å²	65	38%	0.376	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	129.4	170.1	179.9	0	0	0	0	108.1	L534 Q543 R545 E554	L534-V556 HydrophobicContact CD1-CG1 3.73Å; L534-V556 HydrophobicContact CD1-CG2 4.07Å; Q543-V556 HydrophobicContact CG-CG1 3.8Å; R545-V556 HydrophobicContact CB-CG2 4.08Å; E554-V556 PolarHBondContact O-N 2.96Å; E554-V556 VanDerWaalsContact O-N 3.11Å
557	G	89	Confident	77.8	Confident	2 Å²	2	66.3 Å²	66.3	2%	0.021	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	-170.1	178	0	0	0	0	0	112.7	Q521 Q543 A544	Q521-G557 CarbonylContact O-C 3.14Å; Q521-G557 WeakPolarHBondContact O-CA 3.37Å; Q543-G557 WeakPolarHBondContact CA-O 3.48Å; A544-G557 PolarHBondContact N-O 3.23Å; A544-G557 PolarHBondContact O-N 3.3Å
558	F	91.3	Very high	77.7	Confident	55 Å²	55	70.6 Å²	70.6	24%	0.241	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	133.6	179.5	-66.8	-83.9	0	0	0	111.2	L519 Q521 A522 L523 W541 W542 Q543	L519-F558 HydrophobicContact CD1-CB 3.66Å; L519-F558 HydrophobicContact CD1-CD2 4.35Å; L519-F558 HydrophobicContact CD1-CG 4.01Å; L519-F558 HydrophobicContact CD2-CD2 4.47Å; Q521-F558 HydrophobicContact CB-CD2 4.08Å; Q521-F558 HydrophobicContact CB-CE2 4.36Å; Q521-F558 PolarHBondContact O-N 3.1Å; A522-F558 WeakPolarHBondContact CA-O 3.5Å; L523-F558 PolarHBondContact N-O 3.02Å; W541-F558 HydrophobicContact CB-CD1 4.21Å; W541-F558 HydrophobicContact CE3-CB 4.17Å; W542-F558 CarbonylContact O-C 3.59Å; W542-F558 VanDerWaalsContact O-CA 3.31Å; W542-F558 WeakPolarHBondContact O-CA 3.31Å; Q543-F558 HydrophobicContact CB-CE1 4.35Å
559	I	92.7	Very high	77.8	Confident	0 Å²	0	71.2 Å²	71.2	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	152.6	172.6	64	172.1	0	0	0	109.5	I504 L523 F525 L531 W541 W542 A544 S561 Y597	I504-I559 HydrophobicContact CD1-CD1 3.92Å; L523-I559 HydrophobicContact CB-CG2 4Å; L523-I559 HydrophobicContact CD2-CG2 4.2Å; L523-I559 HydrophobicContact CG-CG2 4.48Å; F525-I559 HydrophobicContact CD1-CG2 3.91Å; F525-I559 HydrophobicContact CE1-CB 3.87Å; F525-I559 HydrophobicContact CE1-CG2 3.71Å; L531-I559 HydrophobicContact CD1-CD1 3.76Å; L531-I559 HydrophobicContact CD1-CG2 4.3Å; W541-I559 CarbonylContact C-O 3.55Å; W541-I559 WeakPolarHBondContact CA-O 3.41Å; W542-I559 HydrophobicContact CB-CD1 4.42Å; W542-I559 HydrophobicContact CB-CG1 3.89Å; W542-I559 PolarHBondContact N-O 3Å; W542-I559 PolarHBondContact O-N 3.38Å; A544-I559 HydrophobicContact CB-CD1 3.62Å; A544-I559 HydrophobicContact CB-CG1 3.93Å; A544-I559 HydrophobicContact CB-CG2 4.27Å; I559-S561 PolarHBondContact O-N 3.19Å; I559-Y597 HydrophobicContact CD1-CE1 4.49Å
560	P	92.5	Very high	78.3	Confident	6 Å²	6	74 Å²	74	4%	0.039	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	135	173.9	-24.6	35.2	0	0	0	110.9	Y510 W541 V565 Y597	Y510-P560 HydrophobicContact CD1-CG 4.21Å; Y510-P560 HydrophobicContact CD2-CG 3.67Å; Y510-P560 HydrophobicContact CE1-CG 4.02Å; Y510-P560 HydrophobicContact CE2-CG 3.45Å; Y510-P560 VanDerWaalsContact CE2-CG 3.45Å; Y510-P560 HydrophobicContact CG-CG 4.06Å; W541-P560 HydrophobicContact CZ3-CG 4.11Å; P560-V565 HydrophobicContact CB-CG2 3.7Å; P560-Y597 VanDerWaalsContact O-CE2 3.23Å; P560-Y597 WeakPolarHBondContact O-CE2 3.4Å; P560-Y597 PolarHBondContact O-OH 3.33Å
561	S	91.2	Very high	78.9	Confident	1 Å²	1	70.7 Å²	70.7	1%	0.007	35%	0.349	C	S	.	.			trans	-62.8	156.6	173.4	75.6	0	0	0	0	111	E539 E540 I559 H563 R564 V565	E539-S561 WeakPolarHBondContact O-CB 3.1Å; E539-S561 PolarHBondContact O-OG 3.16Å; E540-S561 PolarHBondContact O-N 2.54Å; E540-S561 PolarHBondContact O-OG 3.27Å; I559-S561 PolarHBondContact O-N 3.19Å; S561-H563 VanDerWaalsContact C-N 3.25Å; S561-H563 PolarHBondContact O-N 2.76Å; S561-R564 PolarHBondContact O-N 2.96Å; S561-R564 VanDerWaalsContact OG-CB 3.31Å; S561-R564 WeakPolarHBondContact OG-CB 3.5Å; S561-R564 PolarHBondContact OG-N 2.93Å; S561-V565 WeakPolarHBondContact O-CG2 3.45Å; S561-V565 PolarHBondContact O-N 2.75Å; S561-V565 VanDerWaalsContact O-N 3.1Å
562	K	90.1	Very high	79.8	Confident	42 Å²	42	70.8 Å²	70.8	18%	0.183	34%	0.339	C	S	.	.	H	α-helix	trans	-51.1	-48	171.6	176	173.7	175	-176.5	0	111.5	W542 R564 V565 E566 Y597 L799	W542-K562 HydrophobicContact CH2-CB 3.36Å; W542-K562 HydrophobicContact CZ2-CB 3.82Å; W542-K562 HydrophobicContact CZ3-CB 4.07Å; K562-R564 VanDerWaalsContact C-N 3.34Å; K562-R564 PolarHBondContact O-N 2.68Å; K562-V565 PolarHBondContact O-N 2.86Å; K562-E566 WeakPolarHBondContact CE-OE1 3.34Å; K562-E566 HydrophobicContact CG-CG 4.27Å; K562-E566 WeakPolarHBondContact CG-OE1 3.22Å; K562-E566 WeakPolarHBondContact O-CB 2.97Å; K562-E566 VanDerWaalsContact O-CG 3.29Å; K562-E566 WeakPolarHBondContact O-CG 3.44Å; K562-E566 PolarHBondContact O-N 3.09Å; K562-Y597 HydrophobicContact CB-CD2 4.1Å; K562-L799 HydrophobicContact CD-CB 3.69Å; K562-L799 HydrophobicContact CD-CD1 4.38Å; K562-L799 PolarHBondContact NZ-O 2.72Å
563	H	87.6	Confident	80.4	Confident	95 Å²	95	66.8 Å²	66.8	44%	0.44	33%	0.325	S	S	.	.	H	α-helix	trans	-61.9	-39.7	-178.2	-174	65	0	0	0	112.7	S561 R567	S561-H563 VanDerWaalsContact C-N 3.25Å; S561-H563 PolarHBondContact O-N 2.76Å; H563-R567 PolarHBondContact CD2-NH2 3.39Å; H563-R567 PolarHBondContact NE2-NH2 2.82Å; H563-R567 VanDerWaalsContact O-CB 3.3Å; H563-R567 WeakPolarHBondContact O-CB 3.29Å; H563-R567 PolarHBondContact O-N 2.94Å
564	R	88.6	Confident	80.9	Confident	65 Å²	65	65.1 Å²	65.1	25%	0.245	30%	0.301	C	S	.	.	H	α-helix	trans	-62.8	-45.5	175.6	177.5	176.6	175.2	78.9	-1.6	111.9	D515 E540 S561 K562 K568	D515-R564 IonicContact OD1-CZ 3.59Å; D515-R564 IonicContact OD1-NH2 2.72Å; D515-R564 PolarHBondContact OD1-NH2 3.12Å; E540-R564 WeakPolarHBondContact O-CD 3.32Å; E540-R564 WeakPolarHBondContact OE2-CD 3.41Å; E540-R564 IonicContact OE2-CZ 2.67Å; E540-R564 IonicContact OE2-NH1 2.8Å; E540-R564 PolarHBondContact OE2-NH1 2.95Å; S561-R564 PolarHBondContact O-N 2.96Å; S561-R564 VanDerWaalsContact OG-CB 3.31Å; S561-R564 WeakPolarHBondContact OG-CB 3.5Å; S561-R564 PolarHBondContact OG-N 2.93Å; K562-R564 VanDerWaalsContact C-N 3.34Å; K562-R564 PolarHBondContact O-N 2.68Å; R564-K568 WeakPolarHBondContact O-CB 3.34Å; R564-K568 PolarHBondContact O-N 3.5Å; R564-K568 VanDerWaalsContact O-N 3.16Å
565	V	87.9	Confident	80.6	Confident	14 Å²	14	66.9 Å²	66.9	9%	0.085	32%	0.316	C	S	.	.	H	α-helix	trans	-63.3	-49.8	179.7	177.1	0	0	0	0	110.4	F508 P560 S561 K562 R567 K568 E569 Y597	F508-V565 HydrophobicContact CD1-CG1 4.32Å; F508-V565 HydrophobicContact CE1-CG1 3.91Å; F508-V565 HydrophobicContact CE1-CG2 4.07Å; F508-V565 HydrophobicContact CE2-CG1 4.44Å; F508-V565 HydrophobicContact CE2-CG2 4.21Å; F508-V565 HydrophobicContact CZ-CB 4.41Å; F508-V565 HydrophobicContact CZ-CG1 3.98Å; F508-V565 HydrophobicContact CZ-CG2 3.52Å; P560-V565 HydrophobicContact CB-CG2 3.7Å; S561-V565 WeakPolarHBondContact O-CG2 3.45Å; S561-V565 PolarHBondContact O-N 2.75Å; S561-V565 VanDerWaalsContact O-N 3.1Å; K562-V565 PolarHBondContact O-N 2.86Å; V565-R567 PolarHBondContact O-N 2.93Å; V565-K568 PolarHBondContact O-N 2.73Å; V565-E569 PolarHBondContact O-N 2.76Å; V565-Y597 HydrophobicContact CG2-CE2 4.28Å
566	E	87.1	Confident	79.7	Confident	41 Å²	41	68.4 Å²	68.4	19%	0.192	32%	0.321	C	S	.	.	H	α-helix	trans	-62.8	-41.4	-178.2	-69.7	-178.5	170.6	0	0	112.3	K562 K568 E569 W570 P594 S596	K562-E566 WeakPolarHBondContact CE-OE1 3.34Å; K562-E566 HydrophobicContact CG-CG 4.27Å; K562-E566 WeakPolarHBondContact CG-OE1 3.22Å; K562-E566 WeakPolarHBondContact O-CB 2.97Å; K562-E566 VanDerWaalsContact O-CG 3.29Å; K562-E566 WeakPolarHBondContact O-CG 3.44Å; K562-E566 PolarHBondContact O-N 3.09Å; E566-K568 VanDerWaalsContact C-N 3.34Å; E566-K568 PolarHBondContact O-N 2.93Å; E566-E569 PolarHBondContact O-N 3.04Å; E566-W570 WeakPolarHBondContact O-CB 3.37Å; E566-W570 PolarHBondContact O-N 3.34Å; E566-P594 HydrophobicContact CB-CB 4.45Å; E566-P594 HydrophobicContact CB-CG 3.8Å; E566-P594 HydrophobicContact CG-CB 4.24Å; E566-P594 HydrophobicContact CG-CG 3.84Å; E566-S596 PolarHBondContact OE1-OG 3.36Å; E566-S596 VanDerWaalsContact OE1-OG 3.13Å
567	R	85.6	Confident	78.2	Confident	107 Å²	107	71.8 Å²	71.8	40%	0.404	33%	0.332	S	S	.	.	H	α-helix	trans	-63	-39.5	176.2	-162.8	-165.6	-54.1	132.8	-8.7	112.2	E540 H563 V565 S571	E540-R567 IonicContact OE1-CZ 3.58Å; E540-R567 IonicContact OE1-NH1 3.42Å; E540-R567 PolarHBondContact OE1-NH1 3.12Å; E540-R567 IonicContact OE1-NH2 2.77Å; E540-R567 PolarHBondContact OE1-NH2 3.39Å; E540-R567 IonicContact OE2-NH1 3.49Å; E540-R567 PolarHBondContact OE2-NH1 3.42Å; H563-R567 PolarHBondContact CD2-NH2 3.39Å; H563-R567 PolarHBondContact NE2-NH2 2.82Å; H563-R567 VanDerWaalsContact O-CB 3.3Å; H563-R567 WeakPolarHBondContact O-CB 3.29Å; H563-R567 PolarHBondContact O-N 2.94Å; V565-R567 PolarHBondContact O-N 2.93Å; R567-S571 PolarHBondContact O-N 3.09Å; R567-S571 PolarHBondContact O-OG 3.01Å
568	K	83.1	Confident	76.3	Confident	122 Å²	122	81.6 Å²	81.6	53%	0.53	37%	0.369	S	S	.	.	H	α-helix	trans	-67.2	-44.7	178	-171.8	176.1	-178.7	179	0	111	R564 V565 E566 S571 R572	R564-K568 WeakPolarHBondContact O-CB 3.34Å; R564-K568 PolarHBondContact O-N 3.5Å; R564-K568 VanDerWaalsContact O-N 3.16Å; V565-K568 PolarHBondContact O-N 2.73Å; E566-K568 VanDerWaalsContact C-N 3.34Å; E566-K568 PolarHBondContact O-N 2.93Å; K568-S571 WeakPolarHBondContact O-CB 3.35Å; K568-S571 PolarHBondContact O-N 3.25Å; K568-R572 WeakPolarHBondContact O-CG 3.18Å; K568-R572 PolarHBondContact O-N 3.34Å
569	E	76	Confident	74.3	Confident	58 Å²	58	85.5 Å²	85.5	27%	0.271	39%	0.392	S	S	.	.	H	α-helix	trans	-66.6	-41.5	178.2	-75.9	-56.7	127	0	0	112.5	V565 E566 S571 R572 V573 P594	V565-E569 PolarHBondContact O-N 2.76Å; E566-E569 PolarHBondContact O-N 3.04Å; E569-S571 PolarHBondContact O-N 2.79Å; E569-R572 WeakPolarHBondContact O-CB 3.49Å; E569-R572 PolarHBondContact O-N 3.01Å; E569-R572 WeakPolarHBondContact OE1-CD 3.45Å; E569-R572 IonicContact OE1-CZ 3.68Å; E569-R572 IonicContact OE1-NE 3.12Å; E569-R572 IonicContact OE1-NH1 2.56Å; E569-R572 PolarHBondContact OE1-NH1 3.15Å; E569-R572 IonicContact OE2-NH1 3.5Å; E569-V573 WeakPolarHBondContact O-CG2 3.33Å; E569-V573 PolarHBondContact O-N 3.31Å; E569-P594 HydrophobicContact CB-CB 3.7Å; E569-P594 HydrophobicContact CG-CB 4.39Å
570	W	73.8	Confident	72.1	Confident	168 Å²	168	92.6 Å²	92.6	64%	0.636	43%	0.425	S	S	*	.	H	α-helix	trans	-57.6	-37.5	175.3	-158.2	-82.2	0	0	0	112.4	E566 N574 P594	E566-W570 WeakPolarHBondContact O-CB 3.37Å; E566-W570 PolarHBondContact O-N 3.34Å; W570-N574 WeakPolarHBondContact O-CB 3.31Å; W570-N574 PolarHBondContact O-N 3.35Å; W570-N574 VanDerWaalsContact O-N 3.09Å; W570-P594 HydrophobicContact CE3-CG 4.4Å
571	S	68	Low	69.6	Low	69 Å²	69	95.6 Å²	95.6	48%	0.483	46%	0.457	S	S	.	.	H	α-helix	trans	-65.8	-38.6	176.3	-57.7	0	0	0	0	111.8	R567 K568 E569 T575	R567-S571 PolarHBondContact O-N 3.09Å; R567-S571 PolarHBondContact O-OG 3.01Å; K568-S571 WeakPolarHBondContact O-CB 3.35Å; K568-S571 PolarHBondContact O-N 3.25Å; E569-S571 PolarHBondContact O-N 2.79Å; S571-T575 PolarHBondContact O-N 3Å; S571-T575 PolarHBondContact O-OG1 3.29Å
572	R	69.7	Low	67.3	Low	144 Å²	144	107.1 Å²	107.1	54%	0.543	50%	0.5	S	S	.	.	H	α-helix	trans	-68.7	-40.5	177.7	-63.8	172.8	86.3	-173.1	4.3	112.2	K568 E569 T575 K576	K568-R572 WeakPolarHBondContact O-CG 3.18Å; K568-R572 PolarHBondContact O-N 3.34Å; E569-R572 WeakPolarHBondContact O-CB 3.49Å; E569-R572 PolarHBondContact O-N 3.01Å; E569-R572 WeakPolarHBondContact OE1-CD 3.45Å; E569-R572 IonicContact OE1-CZ 3.68Å; E569-R572 IonicContact OE1-NE 3.12Å; E569-R572 IonicContact OE1-NH1 2.56Å; E569-R572 PolarHBondContact OE1-NH1 3.15Å; E569-R572 IonicContact OE2-NH1 3.5Å; R572-T575 PolarHBondContact O-N 3.25Å; R572-K576 PolarHBondContact O-N 3.37Å
573	V	61.2	Low	64.8	Low	67 Å²	67	112.5 Å²	112.5	41%	0.406	53%	0.531	S	S	.	.	H	α-helix	trans	-64.3	-47	177.8	176.6	0	0	0	0	110.5	E569 T575 K576 E577	E569-V573 WeakPolarHBondContact O-CG2 3.33Å; E569-V573 PolarHBondContact O-N 3.31Å; V573-T575 VanDerWaalsContact C-N 3.28Å; V573-T575 PolarHBondContact O-N 3.35Å; V573-K576 PolarHBondContact O-N 3.26Å; V573-K576 VanDerWaalsContact O-N 3.15Å; V573-E577 PolarHBondContact O-N 2.9Å; V573-E577 VanDerWaalsContact O-N 3.09Å
574	N	59.2	Low	62.4	Low	73 Å²	73	113.9 Å²	113.9	39%	0.39	55%	0.551	S	S	.	*	H	α-helix	trans	-65.7	-27.9	179.9	-166	29.3	0	0	0	113.2	W570 R578	W570-N574 WeakPolarHBondContact O-CB 3.31Å; W570-N574 PolarHBondContact O-N 3.35Å; W570-N574 VanDerWaalsContact O-N 3.09Å; N574-R578 WeakPolarHBondContact O-CG 3.44Å
575	T	58.1	Low	60.1	Low	98 Å²	98	118.4 Å²	118.4	60%	0.601	59%	0.586	S	S	*	*	H	α-helix	trans	-72.7	-40.9	172.3	-57.9	0	0	0	0	112.1	S571 R572 V573 R578	S571-T575 PolarHBondContact O-N 3Å; S571-T575 PolarHBondContact O-OG1 3.29Å; R572-T575 PolarHBondContact O-N 3.25Å; V573-T575 VanDerWaalsContact C-N 3.28Å; V573-T575 PolarHBondContact O-N 3.35Å; T575-R578 PolarHBondContact O-N 2.96Å
576	K	54.7	Low	57.7	Low	148 Å²	148	120.9 Å²	120.9	64%	0.643	61%	0.614	S	S	*	*	H	α-helix	trans	-67.9	-37.1	179.3	-77.3	-177.5	176	-179.3	0	113.1	R572 V573 R578 D579 H580	R572-K576 PolarHBondContact O-N 3.37Å; V573-K576 PolarHBondContact O-N 3.26Å; V573-K576 VanDerWaalsContact O-N 3.15Å; K576-R578 PolarHBondContact O-N 3.41Å; K576-D579 PolarHBondContact O-N 3.46Å; K576-H580 PolarHBondContact O-N 2.8Å
577	E	54.7	Low	55.2	Low	132 Å²	132	125.8 Å²	125.8	62%	0.617	65%	0.647	S	S	*	*	H	α-helix	trans	-67.6	-22.9	176.8	-71.5	-172.4	166.2	0	0	113.4	V573	V573-E577 PolarHBondContact O-N 2.9Å; V573-E577 VanDerWaalsContact O-N 3.09Å
578	R	49.5	Very low	52.9	Low	208 Å²	208	129.7 Å²	129.7	79%	0.785	67%	0.67	S	S	*	*	H	α-helix	trans	-81.4	-20.2	174.7	-73.8	-179.6	178.7	-164.7	-1.3	113.7	N574 T575 K576	N574-R578 WeakPolarHBondContact O-CG 3.44Å; T575-R578 PolarHBondContact O-N 2.96Å; K576-R578 PolarHBondContact O-N 3.41Å
579	D	49.3	Very low	50.6	Low	137 Å²	137	127.7 Å²	127.7	73%	0.733	68%	0.684	S	S	*	*	H	α-helix	trans	-96.7	-26.6	-174	-144.9	27.3	0	0	0	112.6	K576	K576-D579 PolarHBondContact O-N 3.46Å
580	H	46.5	Very low	48.8	Very low	150 Å²	150	135.1 Å²	135.1	69%	0.694	71%	0.71	S	S	*	*	S	Bend	trans	-99.1	98.7	176.1	-70.5	68.2	0	0	0	110.6	K576	K576-H580 PolarHBondContact O-N 2.8Å
581	G	40.2	Very low	47.3	Very low	68 Å²	68	134.7 Å²	134.7	70%	0.701	72%	0.72	S	S	*	*			trans	-48.7	139.2	178.7	0	0	0	0	0	114.1	D583	G581-D583 PolarHBondContact O-N 3.29Å
582	R	43.3	Very low	46.6	Very low	243 Å²	243	138.4 Å²	138.4	92%	0.917	73%	0.727	S	S	*	*	S	Bend	trans	-33.9	79.1	171.8	-168.7	-171	-164.9	-177.7	3.9	115.6
583	D	37.5	Very low	46.1	Very low	156 Å²	156	136.1 Å²	136.1	83%	0.834	73%	0.73	S	S	*	*			trans	-149.9	69	163	-84	-36.7	0	0	0	110.5	G581	G581-D583 PolarHBondContact O-N 3.29Å
584	S	37	Very low	46.5	Very low	123 Å²	123	134 Å²	134	86%	0.86	72%	0.718	S	S	*	*			trans	-155.9	81.7	166	-60.9	0	0	0	0	109	G586	S584-G586 PolarHBondContact O-N 2.8Å
585	V	39.4	Very low	47.6	Very low	160 Å²	160	134.2 Å²	134.2	97%	0.97	72%	0.716	S	S	*	*			trans	-79.1	115.4	169.7	174.1	0	0	0	0	108.1
586	G	38.1	Very low	49	Very low	67 Å²	67	129.9 Å²	129.9	69%	0.691	69%	0.689	S	S	*	*			trans	112.8	77.1	156.3	0	0	0	0	0	116.8	S584	S584-G586 PolarHBondContact O-N 2.8Å
587	T	34.5	Very low	50.8	Low	143 Å²	143	123.4 Å²	123.4	88%	0.877	66%	0.661	S	S	*	*			trans	-147.5	113.5	137.8	-45.7	0	0	0	0	107.9
588	Q	36.5	Very low	52.6	Low	189 Å²	189	119 Å²	119	88%	0.883	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-59.5	145.1	179.8	-75.3	176.1	-14.5	0	0	111.2	R590	Q588-R590 PolarHBondContact O-N 3.12Å
589	G	35.9	Very low	54.6	Low	81 Å²	81	109.7 Å²	109.7	84%	0.835	61%	0.607	S	S	*	*	P	Polyproline II helix	trans	-50.2	124.1	-173.1	0	0	0	0	0	115.1
590	R	38.1	Very low	56.6	Low	213 Å²	213	103.5 Å²	103.5	80%	0.804	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-102.1	134	141.1	-81.5	-178.5	173.5	171.4	-0.7	106.7	Q588 K592	Q588-R590 PolarHBondContact O-N 3.12Å; R590-K592 PolarHBondContact O-N 3.38Å
591	D	41.1	Very low	58.8	Low	159 Å²	159	99.4 Å²	99.4	85%	0.85	56%	0.56	S	S	*	*			trans	-47	103	168.7	-75.1	-42.4	0	0	0	109.1	T593	D591-T593 PolarHBondContact O-N 3.26Å
592	K	54	Low	61.2	Low	147 Å²	147	100.9 Å²	100.9	64%	0.639	55%	0.548	S	S	*	.			trans	-76.5	78.7	173.5	-71.6	-176	-178.9	175.4	0	107.3	R590 P594	R590-K592 PolarHBondContact O-N 3.38Å; K592-P594 WeakPolarHBondContact O-CD 3.47Å
593	T	58.7	Low	63.5	Low	96 Å²	96	91.4 Å²	91.4	59%	0.589	52%	0.517	S	S	*	.			trans	-66.3	122.1	170.3	-32	0	0	0	0	107.3	D591 H595	D591-T593 PolarHBondContact O-N 3.26Å; T593-H595 PolarHBondContact O-N 2.94Å
594	P	69.8	Low	66.2	Low	24 Å²	24	88.8 Å²	88.8	16%	0.156	50%	0.5	C	S	.	.			trans	-60.2	136.2	179.9	3.3	-3.4	0	0	0	110.6	E566 E569 W570 K592 S596	E566-P594 HydrophobicContact CB-CB 4.45Å; E566-P594 HydrophobicContact CB-CG 3.8Å; E566-P594 HydrophobicContact CG-CB 4.24Å; E566-P594 HydrophobicContact CG-CG 3.84Å; E569-P594 HydrophobicContact CB-CB 3.7Å; E569-P594 HydrophobicContact CG-CB 4.39Å; W570-P594 HydrophobicContact CE3-CG 4.4Å; K592-P594 WeakPolarHBondContact O-CD 3.47Å; P594-S596 PolarHBondContact O-N 3.38Å; P594-S596 VanDerWaalsContact O-N 3.12Å
595	H	81.8	Confident	68.9	Low	77 Å²	77	83.8 Å²	83.8	36%	0.356	46%	0.464	S	S	.	.			trans	-67.1	111.6	179.2	-51	-58.9	0	0	0	109.3	L507 T593 I760	L507-H595 HydrophobicContact CB-CB 4.25Å; T593-H595 PolarHBondContact O-N 2.94Å; H595-I760 WeakPolarHBondContact CE1-CG2 3.4Å; H595-I760 VanDerWaalsContact ND1-CG2 3.32Å; H595-I760 WeakPolarHBondContact ND1-CG2 3.3Å; H595-I760 WeakPolarHBondContact NE2-CG2 3.45Å
596	S	89.3	Confident	71.5	Confident	6 Å²	6	83.6 Å²	83.6	4%	0.042	45%	0.453	C	S	.	.			trans	-122.8	-94.6	-179	57.4	0	0	0	0	109.7	L507 F508 E566 P594	L507-S596 PolarHBondContact N-O 2.88Å; L507-S596 VanDerWaalsContact N-O 3.13Å; F508-S596 VanDerWaalsContact CD1-O 3.22Å; F508-S596 WeakPolarHBondContact CD1-O 3.4Å; F508-S596 VanDerWaalsContact CE1-O 3.31Å; F508-S596 WeakPolarHBondContact CE1-O 3.47Å; E566-S596 PolarHBondContact OE1-OG 3.36Å; E566-S596 VanDerWaalsContact OE1-OG 3.13Å; P594-S596 PolarHBondContact O-N 3.38Å; P594-S596 VanDerWaalsContact O-N 3.12Å
597	Y	92.1	Very high	74.3	Confident	12 Å²	12	82.2 Å²	82.2	5%	0.047	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	150.6	-178.3	-58.6	-71.3	0	0	0	110.3	I504 R505 F508 F525 L531 W542 I559 P560 K562 V565	I504-Y597 HydrophobicContact CD1-CD1 3.58Å; I504-Y597 HydrophobicContact CD1-CD2 4.28Å; I504-Y597 HydrophobicContact CD1-CE1 4Å; I504-Y597 HydrophobicContact CD1-CG 3.73Å; I504-Y597 HydrophobicContact CG1-CD1 4.29Å; R505-Y597 WeakPolarHBondContact O-CA 3.43Å; F508-Y597 HydrophobicContact CE1-CD1 4.16Å; F508-Y597 AromaticContact CE1-CE1 3.7Å; F508-Y597 HydrophobicContact CE1-CE1 3.7Å; F508-Y597 HydrophobicContact CE1-CE2 4.29Å; F508-Y597 AromaticContact CE1-CZ 3.78Å; F508-Y597 AromaticContact CZ-CE1 3.97Å; F508-Y597 HydrophobicContact CZ-CE1 3.97Å; F508-Y597 HydrophobicContact CZ-CE2 4.43Å; F508-Y597 AromaticContact CZ-CZ 3.75Å; F525-Y597 HydrophobicContact CE2-CE1 4.18Å; F525-Y597 AromaticContact CZ-CE1 3.81Å; F525-Y597 HydrophobicContact CZ-CE1 3.81Å; F525-Y597 WeakPolarHBondContact CZ-OH 3.29Å; L531-Y597 HydrophobicContact CD1-CE1 4.35Å; W542-Y597 HydrophobicContact CZ3-CD2 4.04Å; W542-Y597 HydrophobicContact CZ3-CE2 4.32Å; I559-Y597 HydrophobicContact CD1-CE1 4.49Å; P560-Y597 VanDerWaalsContact O-CE2 3.23Å; P560-Y597 WeakPolarHBondContact O-CE2 3.4Å; P560-Y597 PolarHBondContact O-OH 3.33Å; K562-Y597 HydrophobicContact CB-CD2 4.1Å; V565-Y597 HydrophobicContact CG2-CE2 4.28Å
598	E	91.1	Very high	77.3	Confident	39 Å²	39	76.1 Å²	76.1	18%	0.182	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	130.5	173	-176	-172.7	-131.3	0	0	109.3	I504 R505 L507 P794	I504-E598 CarbonylContact C-O 3.49Å; I504-E598 WeakPolarHBondContact CA-O 3.08Å; R505-E598 IonicContact CZ-OE2 3.89Å; R505-E598 PolarHBondContact N-O 2.82Å; R505-E598 IonicContact NE-OE2 2.96Å; R505-E598 PolarHBondContact NE-OE2 2.86Å; R505-E598 IonicContact NH2-OE1 3.11Å; R505-E598 IonicContact NH2-OE2 3.43Å; R505-E598 PolarHBondContact NH2-OE2 2.85Å; R505-E598 PolarHBondContact O-N 2.89Å; L507-E598 HydrophobicContact CD1-CB 4.24Å; L507-E598 HydrophobicContact CG-CB 4.46Å; E598-P794 HydrophobicContact CG-CB 4.23Å; E598-P794 WeakPolarHBondContact OE1-CB 3.32Å; E598-P794 VanDerWaalsContact OE1-CG 3.3Å; E598-P794 WeakPolarHBondContact OE1-CG 3.36Å
599	T	92	Very high	80.2	Confident	14 Å²	14	67.7 Å²	67.7	9%	0.086	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	132.1	173.2	26.2	0	0	0	0	110.9	I504 P794 T795 E797 L799	I504-T599 HydrophobicContact CG2-CG2 4.44Å; T599-P794 WeakPolarHBondContact O-CA 3.26Å; T599-T795 VanDerWaalsContact CB-OG1 3.31Å; T599-T795 WeakPolarHBondContact CB-OG1 3.42Å; T599-T795 PolarHBondContact O-N 2.91Å; T599-T795 PolarHBondContact OG1-OG1 2.74Å; T599-E797 PolarHBondContact OG1-O 2.58Å; T599-L799 HydrophobicContact CG2-CD1 4.23Å; T599-L799 HydrophobicContact CG2-CD2 3.5Å; T599-L799 HydrophobicContact CG2-CG 3.5Å; T599-L799 VanDerWaalsContact CG2-CG 3.5Å
600	V	92	Very high	83.1	Confident	7 Å²	7	63.8 Å²	63.8	4%	0.042	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	154.3	-179.2	-65.2	0	0	0	0	111.6	Y503 R505 V530 W792 I793	Y503-V600 PolarHBondContact O-N 2.9Å; R505-V600 HydrophobicContact CB-CG1 3.68Å; R505-V600 HydrophobicContact CB-CG2 4.41Å; V530-V600 HydrophobicContact CG1-CG2 3.99Å; V600-W792 HydrophobicContact CB-CB 4.35Å; V600-W792 HydrophobicContact CB-CE3 4.19Å; V600-W792 HydrophobicContact CG2-CB 4.44Å; V600-W792 HydrophobicContact CG2-CD2 4.35Å; V600-W792 HydrophobicContact CG2-CE3 3.67Å; V600-W792 HydrophobicContact CG2-CZ3 4.34Å; V600-I793 CarbonylContact C-O 3.52Å; V600-I793 WeakPolarHBondContact CA-O 3.49Å; V600-I793 WeakPolarHBondContact CB-O 3.5Å
601	T	91.5	Very high	86	Confident	64 Å²	64	53.7 Å²	53.7	39%	0.393	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	150.7	169.7	-169.4	0	0	0	0	109.7	V603 W792 I793 T795	T601-V603 HydrophobicContact CG2-CG1 4.2Å; T601-W792 WeakPolarHBondContact O-CA 3.42Å; T601-I793 HydrophobicContact CG2-CD1 4.33Å; T601-I793 HydrophobicContact CG2-CG1 3.79Å; T601-I793 PolarHBondContact N-O 3.18Å; T601-I793 PolarHBondContact O-N 3.4Å; T601-T795 HydrophobicContact CG2-CG2 3.79Å
602	Q	91.4	Very high	88.8	Confident	98 Å²	98	46.1 Å²	46.1	46%	0.458	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	131.7	176.6	-164.2	175.1	40.7	0	0	109.5	I791 W792	Q602-I791 CarbonylContact C-O 3.2Å; Q602-I791 VanDerWaalsContact CA-O 3.3Å; Q602-I791 WeakPolarHBondContact CA-O 3.32Å; Q602-W792 HydrophobicContact CB-CD2 4.22Å; Q602-W792 HydrophobicContact CB-CE3 3.92Å; Q602-W792 HydrophobicContact CB-CH2 3.84Å; Q602-W792 HydrophobicContact CB-CZ2 4.11Å; Q602-W792 HydrophobicContact CB-CZ3 3.74Å; Q602-W792 HydrophobicContact CG-CD2 4.47Å; Q602-W792 HydrophobicContact CG-CH2 4.49Å; Q602-W792 HydrophobicContact CG-CZ2 4.28Å
603	V	91.9	Very high	90.9	Very high	44 Å²	44	39.2 Å²	39.2	27%	0.267	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	152.5	174.6	-60.8	0	0	0	0	110.2	T601 V605 Y790 I791 I793	T601-V603 HydrophobicContact CG2-CG1 4.2Å; V603-V605 HydrophobicContact CG2-CG1 4.46Å; V603-Y790 WeakPolarHBondContact O-CA 3.24Å; V603-I791 HydrophobicContact CG2-CD1 4Å; V603-I791 HydrophobicContact CG2-CG1 3.5Å; V603-I791 PolarHBondContact N-O 2.69Å; V603-I791 PolarHBondContact O-N 2.76Å; V603-I793 HydrophobicContact CB-CD1 4.43Å; V603-I793 HydrophobicContact CG1-CD1 3.66Å; V603-I793 HydrophobicContact CG1-CG1 3.95Å; V603-I793 HydrophobicContact CG2-CD1 3.88Å; V603-I793 HydrophobicContact CG2-CG1 3.98Å; V603-I793 HydrophobicContact CG2-CG2 3.8Å
604	E	93.8	Very high	92.7	Very high	102 Å²	102	35 Å²	35	48%	0.477	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	135.5	172.7	-169.3	172.6	174.5	0	0	110.1	H606 P789 Y790	E604-H606 IonicContact OE1-CE1 2.8Å; E604-H606 PolarHBondContact OE1-CE1 2.87Å; E604-P789 CarbonylContact C-O 3.45Å; E604-P789 VanDerWaalsContact CA-O 3.29Å; E604-P789 WeakPolarHBondContact CA-O 3.45Å; E604-Y790 HydrophobicContact CB-CD1 4.02Å; E604-Y790 HydrophobicContact CB-CE1 3.88Å; E604-Y790 HydrophobicContact CG-CD1 4.2Å; E604-Y790 HydrophobicContact CG-CE1 3.83Å
605	V	93.6	Very high	94	Very high	17 Å²	17	34.9 Å²	34.9	10%	0.103	18%	0.179	C	C	.	.			trans	-124.5	146.9	177.2	-65	0	0	0	0	111.1	V603 Y607 P789 I791	V603-V605 HydrophobicContact CG2-CG1 4.46Å; V605-Y607 HydrophobicContact CB-CD1 4.15Å; V605-Y607 HydrophobicContact CB-CE1 3.75Å; V605-Y607 HydrophobicContact CG1-CE1 3.83Å; V605-P789 WeakPolarHBondContact CG2-O 3.39Å; V605-P789 PolarHBondContact N-O 3.33Å; V605-I791 HydrophobicContact CG1-CD1 3.5Å; V605-I791 HydrophobicContact CG1-CG1 3.87Å; V605-I791 HydrophobicContact CG2-CD1 4.26Å; V605-I791 HydrophobicContact CG2-CG1 4.3Å; V605-I791 HydrophobicContact CG2-CG2 3.85Å
606	H	94.8	Very high	94.5	Very high	157 Å²	157	31.9 Å²	31.9	73%	0.727	17%	0.167	S	C	*	.			trans	-117.2	42.4	-178.1	-56.8	-61	0	0	0	111.8	E604	E604-H606 IonicContact OE1-CE1 2.8Å; E604-H606 PolarHBondContact OE1-CE1 2.87Å
607	Y	95.8	Very high	94.6	Very high	37 Å²	37	32.4 Å²	32.4	15%	0.145	17%	0.17	C	C	.	.	S	Bend	trans	-150.4	155.9	177.1	61.4	-99.4	0	0	0	110.3	V605 R609 A694 E695 L718 H719	V605-Y607 HydrophobicContact CB-CD1 4.15Å; V605-Y607 HydrophobicContact CB-CE1 3.75Å; V605-Y607 HydrophobicContact CG1-CE1 3.83Å; Y607-R609 HydrophobicContact CE2-CG 4.14Å; Y607-R609 PolarHBondContact O-N 3.01Å; Y607-A694 HydrophobicContact CD2-CB 4.43Å; Y607-E695 HydrophobicContact CG-CG 4.46Å; Y607-L718 HydrophobicContact CD1-CD2 4.36Å; Y607-L718 HydrophobicContact CD2-CD2 4.17Å; Y607-L718 HydrophobicContact CE1-CD2 4.2Å; Y607-L718 HydrophobicContact CE2-CD2 4.05Å; Y607-L718 HydrophobicContact CG-CD2 4.37Å; Y607-H719 PolarHBondContact OH-N 3.22Å
608	A	97.5	Very high	94.8	Very high	16 Å²	16	34 Å²	34	13%	0.132	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-76.6	119.2	172.2	0	0	0	0	0	109.8	A694 G698 K699	A608-A694 PolarHBondContact N-O 2.92Å; A608-A694 VanDerWaalsContact O-CB 3.22Å; A608-A694 WeakPolarHBondContact O-CB 3.31Å; A608-G698 WeakPolarHBondContact CB-O 3.3Å; A608-K699 WeakPolarHBondContact CB-O 3.2Å
609	R	97.6	Very high	94.9	Very high	11 Å²	11	36.4 Å²	36.4	4%	0.042	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-61.3	133.2	-172.4	-62.6	172.4	71.8	-174.3	-6.5	111.7	Y607 H700 H719 P720 I721 Q786	Y607-R609 HydrophobicContact CE2-CG 4.14Å; Y607-R609 PolarHBondContact O-N 3.01Å; R609-H700 PolarHBondContact O-ND1 3.2Å; R609-H719 PolarHBondContact NE-O 2.8Å; R609-P720 PolarHBondContact NH2-O 2.92Å; R609-I721 HydrophobicContact CB-CD1 4.03Å; R609-I721 HydrophobicContact CB-CG1 3.9Å; R609-I721 VanDerWaalsContact CZ-CG1 3.48Å; R609-Q786 VanDerWaalsContact CD-O 3.28Å; R609-Q786 WeakPolarHBondContact CD-O 3.07Å; R609-Q786 PolarHBondContact NH1-O 3.5Å
610	P	98.4	Very high	95.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-60.9	148	173.6	-21.1	32.1	0	0	0	111.8	V690 C701 L703 P720 I721	P610-V690 HydrophobicContact CB-CG1 3.99Å; P610-V690 HydrophobicContact CG-CG1 3.55Å; P610-C701 CarbonylContact C-O 3.59Å; P610-C701 WeakPolarHBondContact CA-O 3.4Å; P610-C701 HydrophobicContact CB-CB 4.31Å; P610-L703 HydrophobicContact CB-CD1 3.87Å; P610-P720 HydrophobicContact CB-CB 4.26Å; P610-P720 CarbonylContact O-C 3.55Å; P610-P720 WeakPolarHBondContact O-CA 3.42Å; P610-P720 VanDerWaalsContact O-CB 3.31Å; P610-P720 WeakPolarHBondContact O-CB 3.34Å; P610-I721 PolarHBondContact O-N 3.05Å
611	I	98.6	Very high	95.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	131.1	-179.4	-48.7	-59.9	0	0	0	109.5	I613 F633 H700 C701 I702 L703 I721 I783	I611-I613 HydrophobicContact CG2-CD1 3.62Å; I611-I613 HydrophobicContact CG2-CG1 4.1Å; I611-F633 HydrophobicContact CG1-CE1 4.33Å; I611-H700 HydrophobicContact CD1-CB 4.28Å; I611-H700 HydrophobicContact CG1-CB 3.86Å; I611-C701 PolarHBondContact N-O 2.86Å; I611-I702 HydrophobicContact CB-CD1 3.66Å; I611-I702 HydrophobicContact CG1-CD1 3.86Å; I611-I702 HydrophobicContact CG2-CD1 4.09Å; I611-L703 PolarHBondContact O-N 2.85Å; I611-I721 HydrophobicContact CD1-CB 3.71Å; I611-I721 HydrophobicContact CD1-CD1 3.59Å; I611-I721 HydrophobicContact CD1-CG1 4.01Å; I611-I721 HydrophobicContact CD1-CG2 4.48Å; I611-I783 HydrophobicContact CD1-CD1 4.48Å; I611-I783 HydrophobicContact CD1-CG1 4.15Å; I611-I783 HydrophobicContact CD1-CG2 4.1Å; I611-I783 HydrophobicContact CG2-CD1 4.08Å; I611-I783 HydrophobicContact CG2-CG1 4.43Å
612	I	98.5	Very high	95.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	112.6	172.8	-58.4	172.5	0	0	0	107.8	L614 L703 V705 A709 V710 L713 P720 I721 A722 I723	I612-L614 HydrophobicContact CG2-CD1 4.41Å; I612-L614 HydrophobicContact CG2-CD2 3.89Å; I612-L614 HydrophobicContact CG2-CG 3.92Å; I612-L703 HydrophobicContact CD1-CD1 4.38Å; I612-L703 HydrophobicContact CG1-CB 4.05Å; I612-L703 HydrophobicContact CG1-CD1 4.15Å; I612-V705 HydrophobicContact CD1-CG2 3.96Å; I612-V705 HydrophobicContact CG1-CG2 4.13Å; I612-V705 HydrophobicContact CG2-CG2 4.24Å; I612-A709 HydrophobicContact CD1-CB 4.45Å; I612-V710 HydrophobicContact CD1-CG2 3.78Å; I612-L713 HydrophobicContact CD1-CD1 3.75Å; I612-P720 HydrophobicContact CD1-CB 4.15Å; I612-P720 HydrophobicContact CD1-CG 4.25Å; I612-P720 HydrophobicContact CG1-CB 4.42Å; I612-I721 PolarHBondContact N-O 2.98Å; I612-A722 CarbonylContact O-C 3.6Å; I612-A722 WeakPolarHBondContact O-CA 3.43Å; I612-I723 PolarHBondContact O-N 2.89Å
613	I	98.5	Very high	95.8	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.01	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	127.1	174	-50.9	-57.9	0	0	0	109.2	I611 K618 I621 N622 I723 V725 V779	I611-I613 HydrophobicContact CG2-CD1 3.62Å; I611-I613 HydrophobicContact CG2-CG1 4.1Å; I613-K618 HydrophobicContact CB-CB 4.15Å; I613-K618 HydrophobicContact CG2-CB 3.81Å; I613-K618 WeakPolarHBondContact O-CB 3.29Å; I613-K618 WeakPolarHBondContact O-CD 3.45Å; I613-I621 HydrophobicContact CG1-CG2 4.07Å; I613-I621 HydrophobicContact CG2-CB 4.45Å; I613-I621 HydrophobicContact CG2-CD1 4.04Å; I613-I621 HydrophobicContact CG2-CG2 4.31Å; I613-N622 WeakPolarHBondContact CG1-OD1 3.49Å; I613-I723 HydrophobicContact CD1-CB 3.85Å; I613-I723 HydrophobicContact CD1-CD1 3.85Å; I613-I723 HydrophobicContact CD1-CG1 4.15Å; I613-V725 HydrophobicContact CG2-CG2 4.2Å; I613-V779 HydrophobicContact CD1-CG1 3.81Å
614	L	97.8	Very high	96.1	Very high	8 Å²	8	38.1 Å²	38.1	4%	0.042	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	147.4	-174.8	-68	175.8	0	0	0	110.2	I612 A707 I723 F724 V725 L755 F763	I612-L614 HydrophobicContact CG2-CD1 4.41Å; I612-L614 HydrophobicContact CG2-CD2 3.89Å; I612-L614 HydrophobicContact CG2-CG 3.92Å; L614-A707 HydrophobicContact CD1-CB 3.79Å; L614-A707 HydrophobicContact CD2-CB 4.42Å; L614-I723 PolarHBondContact N-O 3.43Å; L614-F724 HydrophobicContact CB-CD2 4.12Å; L614-V725 PolarHBondContact O-N 2.94Å; L614-L755 HydrophobicContact CB-CD2 3.73Å; L614-L755 HydrophobicContact CD1-CD2 4.44Å; L614-L755 HydrophobicContact CD2-CD2 4.26Å; L614-L755 HydrophobicContact CG-CD2 4.35Å; L614-F763 HydrophobicContact CD1-CD1 3.95Å; L614-F763 HydrophobicContact CD1-CE1 3.45Å; L614-F763 VanDerWaalsContact CD1-CE1 3.45Å; L614-F763 HydrophobicContact CD1-CZ 4.41Å
615	G	95.3	Very high	96.3	Very high	21 Å²	21	33.3 Å²	33.3	22%	0.216	17%	0.167	C	C	.	.	S	Bend	trans	100	-167.3	180	0	0	0	0	0	113.9
616	P	93.5	Very high	96.4	Very high	15 Å²	15	34.8 Å²	34.8	10%	0.097	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	153.7	178.1	-23	35.4	0	0	0	112	K618 V725 P727 V733	P616-K618 PolarHBondContact O-N 2.86Å; P616-V725 VanDerWaalsContact CD-O 3.23Å; P616-V725 WeakPolarHBondContact CD-O 3.45Å; P616-P727 HydrophobicContact CG-CB 4.21Å; P616-P727 HydrophobicContact CG-CG 4.12Å; P616-V733 HydrophobicContact CG-CG2 4.47Å
617	V	91.9	Very high	96.5	Very high	16 Å²	16	31.3 Å²	31.3	10%	0.097	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	11.1	177.1	-62.2	0	0	0	0	117.5	D619 R620 I621 I736 N737 F772	V617-D619 PolarHBondContact O-N 3.19Å; V617-D619 VanDerWaalsContact O-N 3.14Å; V617-R620 PolarHBondContact O-N 2.91Å; V617-I621 HydrophobicContact CG2-CD1 3.95Å; V617-I621 HydrophobicContact CG2-CG1 4.49Å; V617-I621 WeakPolarHBondContact O-CG1 3.36Å; V617-I621 PolarHBondContact O-N 3.43Å; V617-I621 VanDerWaalsContact O-N 3.12Å; V617-I736 HydrophobicContact CB-CG2 4.31Å; V617-I736 HydrophobicContact CG1-CG2 3.7Å; V617-I736 HydrophobicContact CG2-CG2 3.68Å; V617-N737 HydrophobicContact CG1-CB 3.72Å; V617-F772 HydrophobicContact CB-CD2 4.15Å; V617-F772 HydrophobicContact CB-CE2 4.22Å; V617-F772 HydrophobicContact CG1-CD2 4.4Å; V617-F772 HydrophobicContact CG2-CD2 4.08Å; V617-F772 HydrophobicContact CG2-CE2 4.3Å
618	K	95	Very high	96.6	Very high	47 Å²	47	34.6 Å²	34.6	20%	0.204	19%	0.185	C	C	.	.	H	α-helix	trans	-51.2	-39.4	177.6	72.5	170.6	-173.9	67.1	0	113.8	I613 P616 I621 N622 D704	I613-K618 HydrophobicContact CB-CB 4.15Å; I613-K618 HydrophobicContact CG2-CB 3.81Å; I613-K618 WeakPolarHBondContact O-CB 3.29Å; I613-K618 WeakPolarHBondContact O-CD 3.45Å; P616-K618 PolarHBondContact O-N 2.86Å; K618-I621 PolarHBondContact O-N 3.23Å; K618-N622 WeakPolarHBondContact O-CB 3.28Å; K618-N622 PolarHBondContact O-N 3.03Å; K618-N622 PolarHBondContact O-OD1 2.94Å; K618-D704 IonicContact NZ-OD1 3.67Å; K618-D704 PolarHBondContact NZ-OD1 3.35Å; K618-D704 IonicContact NZ-OD2 3.95Å
619	D	94	Very high	96.5	Very high	88 Å²	88	37 Å²	37	47%	0.471	19%	0.192	S	C	.	.	H	α-helix	trans	-66.1	-46.1	-174.9	-56.7	-39.8	0	0	0	110.6	V617 I621 N622 D623	V617-D619 PolarHBondContact O-N 3.19Å; V617-D619 VanDerWaalsContact O-N 3.14Å; D619-I621 PolarHBondContact O-N 3.36Å; D619-N622 PolarHBondContact O-N 3.14Å; D619-D623 VanDerWaalsContact O-CG 3.3Å; D619-D623 PolarHBondContact O-N 3.13Å
620	R	95.3	Very high	96.4	Very high	115 Å²	115	39.6 Å²	39.6	43%	0.434	21%	0.211	S	C	.	.	H	α-helix	trans	-63.7	-41.9	176.8	-174.4	179.7	171.8	-167.3	-2.6	111.4	V617 N622 D623 D624 F772	V617-R620 PolarHBondContact O-N 2.91Å; R620-N622 VanDerWaalsContact C-N 3.34Å; R620-N622 PolarHBondContact O-N 2.91Å; R620-D623 PolarHBondContact O-N 3.32Å; R620-D624 IonicContact NE-OD2 2.82Å; R620-D624 VanDerWaalsContact O-CB 3.31Å; R620-D624 WeakPolarHBondContact O-CB 3.48Å; R620-D624 PolarHBondContact O-N 3.36Å; R620-F772 HydrophobicContact CB-CE2 4.04Å; R620-F772 HydrophobicContact CB-CZ 4.27Å; R620-F772 VanDerWaalsContact CD-CE2 3.48Å; R620-F772 VanDerWaalsContact CD-CZ 3.45Å; R620-F772 HydrophobicContact CG-CE1 4.35Å; R620-F772 HydrophobicContact CG-CE2 3.76Å; R620-F772 HydrophobicContact CG-CZ 3.56Å; R620-F772 VanDerWaalsContact NE-CE1 3.3Å; R620-F772 VanDerWaalsContact NH1-CD1 3.35Å
621	I	97.6	Very high	96.2	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-61.1	-45.6	176.8	-65.2	167.8	0	0	0	110.4	I613 V617 K618 D619 D624 L625 V725 F772 V775 Y776 V779	I613-I621 HydrophobicContact CG1-CG2 4.07Å; I613-I621 HydrophobicContact CG2-CB 4.45Å; I613-I621 HydrophobicContact CG2-CD1 4.04Å; I613-I621 HydrophobicContact CG2-CG2 4.31Å; V617-I621 HydrophobicContact CG2-CD1 3.95Å; V617-I621 HydrophobicContact CG2-CG1 4.49Å; V617-I621 WeakPolarHBondContact O-CG1 3.36Å; V617-I621 PolarHBondContact O-N 3.43Å; V617-I621 VanDerWaalsContact O-N 3.12Å; K618-I621 PolarHBondContact O-N 3.23Å; D619-I621 PolarHBondContact O-N 3.36Å; I621-D624 PolarHBondContact O-N 3.46Å; I621-L625 HydrophobicContact CG2-CD1 3.92Å; I621-L625 HydrophobicContact CG2-CG 4.33Å; I621-L625 WeakPolarHBondContact O-CB 3.24Å; I621-L625 VanDerWaalsContact O-CG 3.25Å; I621-L625 WeakPolarHBondContact O-CG 3.38Å; I621-L625 PolarHBondContact O-N 3.47Å; I621-V725 HydrophobicContact CD1-CG2 4.02Å; I621-F772 HydrophobicContact CG1-CE2 3.85Å; I621-F772 HydrophobicContact CG1-CZ 4.29Å; I621-V775 HydrophobicContact CD1-CG1 4.1Å; I621-Y776 HydrophobicContact CB-CD2 4.48Å; I621-Y776 HydrophobicContact CG1-CD2 4.27Å; I621-Y776 HydrophobicContact CG2-CD2 4.14Å; I621-Y776 HydrophobicContact CG2-CE2 4.29Å; I621-V779 HydrophobicContact CD1-CG2 4.35Å; I621-V779 HydrophobicContact CG2-CG1 3.96Å
622	N	97.6	Very high	96.1	Very high	8 Å²	8	52.2 Å²	52.2	4%	0.043	27%	0.272	C	S	.	.	H	α-helix	trans	-60.6	-48	178.6	-71.7	-8.6	0	0	0	111.5	I613 K618 D619 R620 L625 L626 I702	I613-N622 WeakPolarHBondContact CG1-OD1 3.49Å; K618-N622 WeakPolarHBondContact O-CB 3.28Å; K618-N622 PolarHBondContact O-N 3.03Å; K618-N622 PolarHBondContact O-OD1 2.94Å; D619-N622 PolarHBondContact O-N 3.14Å; R620-N622 VanDerWaalsContact C-N 3.34Å; R620-N622 PolarHBondContact O-N 2.91Å; N622-L625 PolarHBondContact O-N 2.97Å; N622-L626 WeakPolarHBondContact O-CB 3.23Å; N622-L626 WeakPolarHBondContact O-CG 3.41Å; N622-L626 PolarHBondContact O-N 2.85Å; N622-I702 HydrophobicContact CB-CG2 3.74Å
623	D	95.9	Very high	96	Very high	103 Å²	103	52.9 Å²	52.9	55%	0.551	28%	0.275	S	S	*	.	H	α-helix	trans	-62.6	-45.1	178.9	-69.7	-20.4	0	0	0	111.7	D619 R620 L626 S627	D619-D623 VanDerWaalsContact O-CG 3.3Å; D619-D623 PolarHBondContact O-N 3.13Å; R620-D623 PolarHBondContact O-N 3.32Å; D623-L626 PolarHBondContact O-N 3.46Å; D623-S627 VanDerWaalsContact O-CB 3.32Å; D623-S627 WeakPolarHBondContact O-CB 3.48Å; D623-S627 PolarHBondContact O-N 3.22Å; D623-S627 PolarHBondContact O-OG 3.44Å
624	D	97.8	Very high	95.9	Very high	38 Å²	38	53.1 Å²	53.1	20%	0.203	28%	0.278	C	S	.	.	H	α-helix	trans	-66.1	-41	179.6	-68.8	-6.8	0	0	0	110.5	R620 I621 S627 E628 F772 Y776	R620-D624 IonicContact NE-OD2 2.82Å; R620-D624 VanDerWaalsContact O-CB 3.31Å; R620-D624 WeakPolarHBondContact O-CB 3.48Å; R620-D624 PolarHBondContact O-N 3.36Å; I621-D624 PolarHBondContact O-N 3.46Å; D624-S627 PolarHBondContact O-N 3.42Å; D624-S627 PolarHBondContact O-OG 3.32Å; D624-E628 VanDerWaalsContact O-CB 3.23Å; D624-E628 WeakPolarHBondContact O-CB 3.2Å; D624-E628 WeakPolarHBondContact O-CG 3.32Å; D624-E628 PolarHBondContact O-N 3.17Å; D624-F772 WeakPolarHBondContact OD2-CZ 3.44Å; D624-Y776 HydrophobicContact CB-CE2 3.77Å; D624-Y776 PolarHBondContact O-OH 2.98Å
625	L	97.8	Very high	95.9	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-62.8	-45.1	175.1	-72.9	172.7	0	0	0	112.8	I621 N622 S627 F629 F633 I702 Y776 K780 I783	I621-L625 HydrophobicContact CG2-CD1 3.92Å; I621-L625 HydrophobicContact CG2-CG 4.33Å; I621-L625 WeakPolarHBondContact O-CB 3.24Å; I621-L625 VanDerWaalsContact O-CG 3.25Å; I621-L625 WeakPolarHBondContact O-CG 3.38Å; I621-L625 PolarHBondContact O-N 3.47Å; N622-L625 PolarHBondContact O-N 2.97Å; L625-S627 VanDerWaalsContact C-N 3.34Å; L625-F629 PolarHBondContact O-N 3.28Å; L625-F629 VanDerWaalsContact O-N 3.16Å; L625-F633 HydrophobicContact CB-CD2 4.16Å; L625-F633 HydrophobicContact CB-CE2 4.36Å; L625-F633 HydrophobicContact CB-CG 4.35Å; L625-F633 HydrophobicContact CD2-CD2 4.49Å; L625-F633 HydrophobicContact CD2-CE2 3.86Å; L625-F633 HydrophobicContact CD2-CZ 3.92Å; L625-F633 WeakPolarHBondContact O-CD2 3.47Å; L625-I702 HydrophobicContact CB-CD1 4.49Å; L625-I702 HydrophobicContact CD1-CD1 4.03Å; L625-Y776 HydrophobicContact CD2-CE2 4.03Å; L625-Y776 HydrophobicContact CG-CE2 4.01Å; L625-Y776 PolarHBondContact N-OH 3.35Å; L625-K780 HydrophobicContact CD2-CD 4.38Å; L625-K780 HydrophobicContact CD2-CG 3.96Å; L625-I783 HydrophobicContact CD1-CD1 3.86Å; L625-I783 HydrophobicContact CD2-CD1 4.41Å
626	L	95.9	Very high	95.9	Very high	49 Å²	49	56 Å²	56	26%	0.257	30%	0.296	S	S	.	.	H	α-helix	trans	-67.7	-34.4	-179.7	-74.1	167.4	0	0	0	112.3	N622 D623 F633 I702	N622-L626 WeakPolarHBondContact O-CB 3.23Å; N622-L626 WeakPolarHBondContact O-CG 3.41Å; N622-L626 PolarHBondContact O-N 2.85Å; D623-L626 PolarHBondContact O-N 3.46Å; L626-F633 HydrophobicContact CD2-CB 4.11Å; L626-I702 HydrophobicContact CD1-CB 4.39Å; L626-I702 HydrophobicContact CD1-CG2 4.42Å; L626-I702 HydrophobicContact CD2-CB 4.2Å; L626-I702 HydrophobicContact CD2-CG1 3.91Å; L626-I702 HydrophobicContact CG-CB 4.3Å; L626-I702 HydrophobicContact CG-CG1 4.04Å
627	S	96.2	Very high	96	Very high	83 Å²	83	56.8 Å²	56.8	58%	0.58	30%	0.3	S	S	*	.	H	α-helix	trans	-86.1	-40.2	-178	59.6	0	0	0	0	113.6	D623 D624 L625	D623-S627 VanDerWaalsContact O-CB 3.32Å; D623-S627 WeakPolarHBondContact O-CB 3.48Å; D623-S627 PolarHBondContact O-N 3.22Å; D623-S627 PolarHBondContact O-OG 3.44Å; D624-S627 PolarHBondContact O-N 3.42Å; D624-S627 PolarHBondContact O-OG 3.32Å; L625-S627 VanDerWaalsContact C-N 3.34Å
628	E	96.9	Very high	96.2	Very high	106 Å²	106	57.7 Å²	57.7	50%	0.495	31%	0.306	S	S	.	.	H	α-helix	trans	-74.4	-32.8	178.4	-72.8	-171	174.9	0	0	112.6	D624 Y776 K780	D624-E628 VanDerWaalsContact O-CB 3.23Å; D624-E628 WeakPolarHBondContact O-CB 3.2Å; D624-E628 WeakPolarHBondContact O-CG 3.32Å; D624-E628 PolarHBondContact O-N 3.17Å; E628-Y776 PolarHBondContact OE2-OH 3.3Å; E628-K780 IonicContact OE2-NZ 2.86Å
629	F	96.5	Very high	96.4	Very high	67 Å²	67	57 Å²	57	29%	0.294	30%	0.304	S	S	.	.			trans	-133.4	60.1	-172.4	-51.8	-78.7	0	0	0	113	L625 D631 K632 F633 K780	L625-F629 PolarHBondContact O-N 3.28Å; L625-F629 VanDerWaalsContact O-N 3.16Å; F629-D631 PolarHBondContact O-N 2.92Å; F629-D631 VanDerWaalsContact O-N 3.12Å; F629-K632 HydrophobicContact CB-CB 4.31Å; F629-K632 PolarHBondContact O-N 2.91Å; F629-F633 HydrophobicContact CB-CD2 3.63Å; F629-F633 HydrophobicContact CB-CE2 3.74Å; F629-F633 HydrophobicContact CD2-CE2 4.13Å; F629-F633 HydrophobicContact CG-CE2 4.21Å; F629-F633 WeakPolarHBondContact O-CD2 3.33Å; F629-F633 PolarHBondContact O-N 3.21Å; F629-K780 HydrophobicContact CE2-CD 3.77Å; F629-K780 HydrophobicContact CZ-CD 4.21Å
630	P	94.8	Very high	96.5	Very high	66 Å²	66	52.9 Å²	52.9	43%	0.429	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-20	-175.5	27.8	-36.8	0	0	0	113.9	F633 K699	P630-F633 VanDerWaalsContact O-O 3.11Å; P630-K699 WeakPolarHBondContact O-CE 3.44Å; P630-K699 PolarHBondContact O-NZ 3.26Å
631	D	94.7	Very high	96.6	Very high	135 Å²	135	48.3 Å²	48.3	72%	0.722	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-23.8	176.7	-61.6	-38.6	0	0	0	112.8	F629 K699	F629-D631 PolarHBondContact O-N 2.92Å; F629-D631 VanDerWaalsContact O-N 3.12Å; D631-K699 WeakPolarHBondContact O-CE 3.33Å
632	K	95.9	Very high	96.6	Very high	129 Å²	129	49.4 Å²	49.4	56%	0.561	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	-32.7	-179.4	-65	-172.9	178.1	-174.8	0	112.7	F629 K699 H700	F629-K632 HydrophobicContact CB-CB 4.31Å; F629-K632 PolarHBondContact O-N 2.91Å; K632-K699 CarbonylContact O-C 2.93Å; K632-K699 WeakPolarHBondContact O-CA 3.42Å; K632-H700 PolarHBondContact O-N 3.47Å
633	F	98.1	Very high	96.4	Very high	14 Å²	14	53.5 Å²	53.5	6%	0.061	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	145.9	-175.7	-57.3	-77.8	0	0	0	111.8	I611 L625 L626 F629 P630 H700 I702 I783	I611-F633 HydrophobicContact CG1-CE1 4.33Å; L625-F633 HydrophobicContact CB-CD2 4.16Å; L625-F633 HydrophobicContact CB-CE2 4.36Å; L625-F633 HydrophobicContact CB-CG 4.35Å; L625-F633 HydrophobicContact CD2-CD2 4.49Å; L625-F633 HydrophobicContact CD2-CE2 3.86Å; L625-F633 HydrophobicContact CD2-CZ 3.92Å; L625-F633 WeakPolarHBondContact O-CD2 3.47Å; L626-F633 HydrophobicContact CD2-CB 4.11Å; F629-F633 HydrophobicContact CB-CD2 3.63Å; F629-F633 HydrophobicContact CB-CE2 3.74Å; F629-F633 HydrophobicContact CD2-CE2 4.13Å; F629-F633 HydrophobicContact CG-CE2 4.21Å; F629-F633 WeakPolarHBondContact O-CD2 3.33Å; F629-F633 PolarHBondContact O-N 3.21Å; P630-F633 VanDerWaalsContact O-O 3.11Å; F633-H700 WeakPolarHBondContact CA-O 3.26Å; F633-H700 HydrophobicContact CD1-CB 3.46Å; F633-H700 VanDerWaalsContact CD1-CB 3.46Å; F633-H700 HydrophobicContact CE1-CB 3.73Å; F633-H700 HydrophobicContact CG-CB 4.48Å; F633-I702 HydrophobicContact CB-CD1 4.33Å; F633-I702 HydrophobicContact CB-CG1 3.94Å; F633-I702 HydrophobicContact CD1-CD1 3.44Å; F633-I702 VanDerWaalsContact CD1-CD1 3.44Å; F633-I702 HydrophobicContact CD1-CG1 4.02Å; F633-I702 HydrophobicContact CE1-CD1 4.11Å; F633-I702 HydrophobicContact CG-CD1 4.11Å; F633-I702 HydrophobicContact CG-CG1 4.26Å; F633-I783 HydrophobicContact CE1-CD1 4.13Å; F633-I783 HydrophobicContact CE1-CG2 4.05Å; F633-I783 HydrophobicContact CZ-CD1 4.26Å; F633-I783 HydrophobicContact CZ-CG2 4.13Å
634	G	96.4	Very high	96.5	Very high	8 Å²	8	53.7 Å²	53.7	8%	0.082	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	157.1	175.2	0	0	0	0	0	111.2	H700 C701 I702	G634-H700 PolarHBondContact N-O 3.43Å; G634-C701 CarbonylContact O-C 3.58Å; G634-C701 WeakPolarHBondContact O-CA 3.12Å; G634-I702 PolarHBondContact O-N 2.91Å
635	S	96.5	Very high	96.2	Very high	80 Å²	80	57.6 Å²	57.6	56%	0.559	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.2	136.6	168.4	-167.6	0	0	0	0	108.8
636	C	95.8	Very high	95.9	Very high	10 Å²	10	65.7 Å²	65.7	7%	0.068	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-83	151	175.7	62.6	0	0	0	0	111.2	P638 T685 S689 V693	C636-P638 WeakPolarHBondContact O-CD 2.86Å; C636-T685 WeakPolarHBondContact SG-CG2 3.29Å; C636-S689 WeakPolarHBondContact CB-O 3.4Å; C636-V693 HydrophobicContact CB-CG2 3.89Å
637	V	95.8	Very high	95.8	Very high	31 Å²	31	70.7 Å²	70.7	19%	0.188	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-81.3	119.1	178.1	-177.2	0	0	0	0	110	H655 S689	V637-H655 PolarHBondContact O-CD2 3.45Å; V637-S689 WeakPolarHBondContact O-CB 3.39Å; V637-S689 PolarHBondContact O-OG 3.35Å; V637-S689 VanDerWaalsContact O-OG 3.12Å
638	P	96.1	Very high	95.6	Very high	34 Å²	34	67.4 Å²	67.4	22%	0.221	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-76.6	165.9	178.5	30.6	-33.3	0	0	0	111.7	C636 Y654 H655	C636-P638 WeakPolarHBondContact O-CD 2.86Å; P638-Y654 HydrophobicContact CB-CD1 4.15Å; P638-Y654 HydrophobicContact CB-CE1 4.2Å; P638-Y654 HydrophobicContact CG-CD1 3.62Å; P638-Y654 HydrophobicContact CG-CE1 3.55Å; P638-Y654 CarbonylContact O-C 3.6Å; P638-Y654 WeakPolarHBondContact O-CA 3.46Å; P638-H655 PolarHBondContact O-N 2.88Å
639	H	97.8	Very high	95.5	Very high	34 Å²	34	65.4 Å²	65.4	16%	0.157	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	150.1	175.8	-65.3	52.9	0	0	0	111	H655 V657 M663 F672 Y683 G684 S686 S689	H639-H655 CarbonylContact C-O 3.58Å; H639-H655 VanDerWaalsContact CA-O 3.32Å; H639-H655 WeakPolarHBondContact CA-O 3.23Å; H639-H655 HydrophobicContact CB-CB 4.37Å; H639-H655 AromaticContact CE1-CD2 3.41Å; H639-H655 PolarHBondContact CE1-CD2 2.93Å; H639-H655 VanDerWaalsContact CE1-CD2 3.41Å; H639-H655 AromaticContact CE1-CG 3.85Å; H639-H655 AromaticContact ND1-CD2 3.74Å; H639-H655 AromaticContact NE2-CD2 3.94Å; H639-H655 AromaticContact NE2-CG 3.94Å; H639-V657 HydrophobicContact CB-CG2 4.13Å; H639-M663 HydrophobicContact CB-CE 3.85Å; H639-M663 HydrophobicContact CB-SD 4.45Å; H639-F672 HydrophobicContact CB-CE1 3.86Å; H639-F672 HydrophobicContact CB-CZ 3.96Å; H639-F672 AromaticContact CG-CE1 3.94Å; H639-F672 AromaticContact CG-CZ 3.86Å; H639-Y683 VanDerWaalsContact O-CA 3.3Å; H639-Y683 WeakPolarHBondContact O-CA 3.42Å; H639-G684 PolarHBondContact N-O 3.37Å; H639-G684 PolarHBondContact O-N 3.22Å; H639-S686 PolarHBondContact CE1-OG 3.09Å; H639-S689 PolarHBondContact CE1-OG 3.45Å; H639-S689 VanDerWaalsContact CE1-OG 3.29Å
640	T	97.9	Very high	95.4	Very high	0 Å²	0	66.5 Å²	66.5	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	146.6	169	-171.7	0	0	0	0	113	R642 Y654 H655 F656 V657 L682 Y683	T640-R642 VanDerWaalsContact C-N 3.27Å; T640-R642 HydrophobicContact CG2-CB 4.1Å; T640-R642 WeakPolarHBondContact OG1-CB 3.44Å; T640-R642 PolarHBondContact OG1-N 3.35Å; T640-R642 VanDerWaalsContact OG1-N 3.09Å; T640-Y654 HydrophobicContact CG2-CD1 3.77Å; T640-Y654 HydrophobicContact CG2-CD2 4.22Å; T640-Y654 HydrophobicContact CG2-CG 3.6Å; T640-H655 PolarHBondContact N-O 2.8Å; T640-F656 HydrophobicContact CG2-CD1 3.57Å; T640-F656 HydrophobicContact CG2-CE1 3.74Å; T640-F656 CarbonylContact O-C 3.5Å; T640-F656 WeakPolarHBondContact O-CA 3.5Å; T640-V657 PolarHBondContact O-N 3.39Å; T640-L682 CarbonylContact C-O 3.56Å; T640-L682 WeakPolarHBondContact CA-O 3.29Å; T640-L682 PolarHBondContact OG1-O 3.09Å; T640-Y683 HydrophobicContact CG2-CE1 4.33Å; T640-Y683 WeakPolarHBondContact OG1-CD1 3.48Å; T640-Y683 WeakPolarHBondContact OG1-CE1 3.38Å
641	T	97.3	Very high	95.1	Very high	19 Å²	19	65.2 Å²	65.2	12%	0.117	34%	0.343	C	S	.	.	S	Bend	trans	-85.2	-1.3	168.6	68.1	0	0	0	0	112.8	V657 R660 M663 H681 L682	T641-V657 WeakPolarHBondContact CA-O 3.09Å; T641-R660 HydrophobicContact CG2-CB 4.07Å; T641-R660 HydrophobicContact CG2-CG 4.26Å; T641-M663 HydrophobicContact CG2-CB 3.99Å; T641-M663 HydrophobicContact CG2-CG 4.38Å; T641-M663 HydrophobicContact CG2-SD 3.58Å; T641-M663 VanDerWaalsContact CG2-SD 3.58Å; T641-H681 WeakPolarHBondContact OG1-CA 3.48Å; T641-L682 HydrophobicContact CG2-CB 3.87Å; T641-L682 HydrophobicContact CG2-CD1 4.28Å; T641-L682 HydrophobicContact CG2-CG 4.31Å; T641-L682 PolarHBondContact N-O 3.31Å; T641-L682 PolarHBondContact OG1-N 3.48Å
642	R	96.9	Very high	94.9	Very high	23 Å²	23	65.5 Å²	65.5	9%	0.087	33%	0.334	C	S	.	.	S	Bend	trans	-68.2	136.2	176.3	-175.2	-174.1	53.7	86.4	-9.1	109.5	T640 K644 R645 E648 F656 H681 Y683	T640-R642 VanDerWaalsContact C-N 3.27Å; T640-R642 HydrophobicContact CG2-CB 4.1Å; T640-R642 WeakPolarHBondContact OG1-CB 3.44Å; T640-R642 PolarHBondContact OG1-N 3.35Å; T640-R642 VanDerWaalsContact OG1-N 3.09Å; R642-K644 PolarHBondContact O-N 3.04Å; R642-R645 VanDerWaalsContact NH1-NE 3.18Å; R642-E648 IonicContact CZ-OE1 3.77Å; R642-E648 IonicContact CZ-OE2 3.25Å; R642-E648 VanDerWaalsContact CZ-OE2 3.29Å; R642-E648 IonicContact NH1-OE1 2.83Å; R642-E648 IonicContact NH1-OE2 2.8Å; R642-E648 PolarHBondContact NH1-OE2 2.85Å; R642-E648 IonicContact NH2-OE1 3.91Å; R642-E648 PolarHBondContact NH2-OE1 3.49Å; R642-E648 IonicContact NH2-OE2 2.85Å; R642-E648 PolarHBondContact NH2-OE2 3.46Å; R642-F656 VanDerWaalsContact O-CD1 3.23Å; R642-F656 WeakPolarHBondContact O-CD1 3.32Å; R642-H681 WeakPolarHBondContact CA-CD2 3.47Å; R642-H681 HydrophobicContact CB-CB 3.93Å; R642-Y683 VanDerWaalsContact CD-OH 3.31Å; R642-Y683 WeakPolarHBondContact CD-OH 3.48Å; R642-Y683 PolarHBondContact NE-OH 2.84Å
643	P	93.9	Very high	94.7	Very high	95 Å²	95	61.9 Å²	61.9	62%	0.617	32%	0.32	S	S	*	.	P	Polyproline II helix	trans	-55.8	138.5	170.6	-25.1	34.1	0	0	0	112.1
644	K	96.5	Very high	94.6	Very high	106 Å²	106	64.3 Å²	64.3	46%	0.461	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-60.7	135.7	174.9	-171.6	176.7	85.7	111.9	0	110.7	R642 E648 D650 F656	R642-K644 PolarHBondContact O-N 3.04Å; K644-E648 VanDerWaalsContact CD-O 3.29Å; K644-E648 WeakPolarHBondContact CD-O 3.44Å; K644-E648 HydrophobicContact CG-CB 3.89Å; K644-E648 PolarHBondContact NZ-O 3.3Å; K644-D650 HydrophobicContact CD-CB 4.32Å; K644-F656 HydrophobicContact CB-CD1 3.85Å; K644-F656 HydrophobicContact CB-CD2 3.81Å; K644-F656 HydrophobicContact CB-CE1 3.94Å; K644-F656 HydrophobicContact CB-CE2 3.93Å; K644-F656 HydrophobicContact CB-CG 3.78Å; K644-F656 HydrophobicContact CB-CZ 3.97Å; K644-F656 HydrophobicContact CD-CD2 3.76Å; K644-F656 HydrophobicContact CD-CE2 3.76Å; K644-F656 HydrophobicContact CD-CZ 4.48Å; K644-F656 HydrophobicContact CG-CD1 4.44Å; K644-F656 HydrophobicContact CG-CD2 3.73Å; K644-F656 HydrophobicContact CG-CE1 4.19Å; K644-F656 HydrophobicContact CG-CE2 3.46Å; K644-F656 VanDerWaalsContact CG-CE2 3.46Å; K644-F656 HydrophobicContact CG-CG 4.23Å; K644-F656 HydrophobicContact CG-CZ 3.69Å
645	R	93	Very high	94.6	Very high	120 Å²	120	66.2 Å²	66.2	45%	0.453	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-86.1	160.3	170.9	-66	162.7	-171	175.9	7	110.7	R642 Y647 E648	R642-R645 VanDerWaalsContact NH1-NE 3.18Å; R645-Y647 HydrophobicContact CB-CD1 4.11Å; R645-Y647 HydrophobicContact CB-CE1 3.77Å; R645-Y647 WeakPolarHBondContact CD-OH 3.15Å; R645-Y647 HydrophobicContact CG-CE1 4.33Å; R645-Y647 PolarHBondContact NH1-OH 3.31Å; R645-Y647 PolarHBondContact O-N 3Å; R645-Y647 VanDerWaalsContact O-N 3.12Å; R645-E648 HydrophobicContact CB-CG 4.06Å; R645-E648 WeakPolarHBondContact CB-OE2 3.3Å; R645-E648 PolarHBondContact N-OE2 3.1Å; R645-E648 WeakPolarHBondContact O-CB 3.2Å; R645-E648 PolarHBondContact O-N 3Å
646	D	91.8	Very high	94.6	Very high	170 Å²	170	64.2 Å²	64.2	91%	0.909	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-32.3	-174.3	-58.2	-21.8	0	0	0	114
647	Y	92.2	Very high	94.6	Very high	154 Å²	154	65.5 Å²	65.5	60%	0.604	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-4.6	179.1	63.3	-97	0	0	0	114	R645	R645-Y647 HydrophobicContact CB-CD1 4.11Å; R645-Y647 HydrophobicContact CB-CE1 3.77Å; R645-Y647 WeakPolarHBondContact CD-OH 3.15Å; R645-Y647 HydrophobicContact CG-CE1 4.33Å; R645-Y647 PolarHBondContact NH1-OH 3.31Å; R645-Y647 PolarHBondContact O-N 3Å; R645-Y647 VanDerWaalsContact O-N 3.12Å
648	E	93.8	Very high	94.4	Very high	15 Å²	15	70.3 Å²	70.3	7%	0.07	36%	0.36	C	S	.	.			trans	-95	144.3	-178.6	-64.4	175.3	147.9	0	0	111.2	R642 K644 R645 D653 F656	R642-E648 IonicContact CZ-OE1 3.77Å; R642-E648 IonicContact CZ-OE2 3.25Å; R642-E648 VanDerWaalsContact CZ-OE2 3.29Å; R642-E648 IonicContact NH1-OE1 2.83Å; R642-E648 IonicContact NH1-OE2 2.8Å; R642-E648 PolarHBondContact NH1-OE2 2.85Å; R642-E648 IonicContact NH2-OE1 3.91Å; R642-E648 PolarHBondContact NH2-OE1 3.49Å; R642-E648 IonicContact NH2-OE2 2.85Å; R642-E648 PolarHBondContact NH2-OE2 3.46Å; K644-E648 VanDerWaalsContact CD-O 3.29Å; K644-E648 WeakPolarHBondContact CD-O 3.44Å; K644-E648 HydrophobicContact CG-CB 3.89Å; K644-E648 PolarHBondContact NZ-O 3.3Å; R645-E648 HydrophobicContact CB-CG 4.06Å; R645-E648 WeakPolarHBondContact CB-OE2 3.3Å; R645-E648 PolarHBondContact N-OE2 3.1Å; R645-E648 WeakPolarHBondContact O-CB 3.2Å; R645-E648 PolarHBondContact O-N 3Å; E648-D653 VanDerWaalsContact CA-OD2 3.32Å; E648-D653 WeakPolarHBondContact CA-OD2 3.36Å; E648-D653 HydrophobicContact CB-CB 4.4Å; E648-F656 HydrophobicContact CB-CE2 4.22Å; E648-F656 HydrophobicContact CB-CZ 3.81Å; E648-F656 HydrophobicContact CG-CZ 4.46Å
649	V	93.9	Very high	94.4	Very high	64 Å²	64	70.6 Å²	70.6	39%	0.388	36%	0.363	S	S	.	.			trans	-114.5	125.9	-179.5	179.3	0	0	0	0	108.9	R652 D653	V649-R652 HydrophobicContact CB-CB 4.13Å; V649-R652 HydrophobicContact CG1-CB 4.16Å; V649-R652 PolarHBondContact O-N 3.4Å; V649-D653 PolarHBondContact N-OD2 3.27Å; V649-D653 PolarHBondContact O-N 3.41Å
650	D	93.3	Very high	94.2	Very high	90 Å²	90	72 Å²	72	48%	0.481	37%	0.367	S	S	.	.	B	Isolated β-bridge	trans	-66.5	136.8	175.7	-172.8	48.5	0	0	0	110.4	K644 R652 Y654 H655 F656	K644-D650 HydrophobicContact CD-CB 4.32Å; D650-R652 PolarHBondContact O-N 3.42Å; D650-Y654 WeakPolarHBondContact CA-O 3.33Å; D650-H655 WeakPolarHBondContact OD1-CA 3.43Å; D650-F656 HydrophobicContact CB-CD2 3.83Å; D650-F656 HydrophobicContact CB-CE2 4.47Å; D650-F656 WeakPolarHBondContact OD1-CD2 3.08Å; D650-F656 PolarHBondContact OD1-N 2.86Å
651	G	89.4	Confident	94.2	Very high	38 Å²	38	78.3 Å²	78.3	39%	0.392	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.9	4.3	-174.4	0	0	0	0	0	115	Y654	G651-Y654 PolarHBondContact N-O 3.44Å
652	R	90.7	Very high	94.1	Very high	141 Å²	141	81.4 Å²	81.4	53%	0.532	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.3	-54.8	169.2	-174	-169.1	71.2	-161.8	-4.1	111.8	V649 D650	V649-R652 HydrophobicContact CB-CB 4.13Å; V649-R652 HydrophobicContact CG1-CB 4.16Å; V649-R652 PolarHBondContact O-N 3.4Å; D650-R652 PolarHBondContact O-N 3.42Å
653	D	91.4	Very high	94.1	Very high	53 Å²	53	80.3 Å²	80.3	28%	0.283	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-47.5	-176.9	-58.7	-52.8	0	0	0	110	E648 V649	E648-D653 VanDerWaalsContact CA-OD2 3.32Å; E648-D653 WeakPolarHBondContact CA-OD2 3.36Å; E648-D653 HydrophobicContact CB-CB 4.4Å; V649-D653 PolarHBondContact N-OD2 3.27Å; V649-D653 PolarHBondContact O-N 3.41Å
654	Y	96.4	Very high	94.2	Very high	65 Å²	65	79.1 Å²	79.1	26%	0.255	39%	0.392	S	S	.	.	B	Isolated β-bridge	trans	-147.4	159.9	168.5	-68.1	-90	0	0	0	109.6	P638 T640 D650 G651 F656 Y683	P638-Y654 HydrophobicContact CB-CD1 4.15Å; P638-Y654 HydrophobicContact CB-CE1 4.2Å; P638-Y654 HydrophobicContact CG-CD1 3.62Å; P638-Y654 HydrophobicContact CG-CE1 3.55Å; P638-Y654 CarbonylContact O-C 3.6Å; P638-Y654 WeakPolarHBondContact O-CA 3.46Å; T640-Y654 HydrophobicContact CG2-CD1 3.77Å; T640-Y654 HydrophobicContact CG2-CD2 4.22Å; T640-Y654 HydrophobicContact CG2-CG 3.6Å; D650-Y654 WeakPolarHBondContact CA-O 3.33Å; G651-Y654 PolarHBondContact N-O 3.44Å; Y654-F656 HydrophobicContact CD2-CE1 4.19Å; Y654-F656 HydrophobicContact CD2-CZ 4.04Å; Y654-F656 HydrophobicContact CG-CE1 4.38Å; Y654-F656 HydrophobicContact CG-CZ 4.38Å; Y654-F656 WeakPolarHBondContact O-CD2 3.33Å; Y654-Y683 HydrophobicContact CD1-CD1 4.35Å; Y654-Y683 AromaticContact CE1-CD1 3.71Å; Y654-Y683 HydrophobicContact CE1-CD1 3.71Å; Y654-Y683 AromaticContact CE1-CE1 3.99Å; Y654-Y683 HydrophobicContact CE1-CE1 3.99Å
655	H	96.6	Very high	94.2	Very high	48 Å²	48	80.3 Å²	80.3	22%	0.222	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	107.6	152.3	-65.8	-70.9	0	0	0	108.5	V637 P638 H639 T640 D650 V657	V637-H655 PolarHBondContact O-CD2 3.45Å; P638-H655 PolarHBondContact O-N 2.88Å; H639-H655 CarbonylContact C-O 3.58Å; H639-H655 VanDerWaalsContact CA-O 3.32Å; H639-H655 WeakPolarHBondContact CA-O 3.23Å; H639-H655 HydrophobicContact CB-CB 4.37Å; H639-H655 AromaticContact CE1-CD2 3.41Å; H639-H655 PolarHBondContact CE1-CD2 2.93Å; H639-H655 VanDerWaalsContact CE1-CD2 3.41Å; H639-H655 AromaticContact CE1-CG 3.85Å; H639-H655 AromaticContact ND1-CD2 3.74Å; H639-H655 AromaticContact NE2-CD2 3.94Å; H639-H655 AromaticContact NE2-CG 3.94Å; T640-H655 PolarHBondContact N-O 2.8Å; D650-H655 WeakPolarHBondContact OD1-CA 3.43Å; H655-V657 PolarHBondContact O-N 2.68Å
656	F	96.8	Very high	94.3	Very high	38 Å²	38	75.9 Å²	75.9	17%	0.167	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	102	-177.9	-65.2	-77.1	0	0	0	110	T640 R642 K644 E648 D650 Y654	T640-F656 HydrophobicContact CG2-CD1 3.57Å; T640-F656 HydrophobicContact CG2-CE1 3.74Å; T640-F656 CarbonylContact O-C 3.5Å; T640-F656 WeakPolarHBondContact O-CA 3.5Å; R642-F656 VanDerWaalsContact O-CD1 3.23Å; R642-F656 WeakPolarHBondContact O-CD1 3.32Å; K644-F656 HydrophobicContact CB-CD1 3.85Å; K644-F656 HydrophobicContact CB-CD2 3.81Å; K644-F656 HydrophobicContact CB-CE1 3.94Å; K644-F656 HydrophobicContact CB-CE2 3.93Å; K644-F656 HydrophobicContact CB-CG 3.78Å; K644-F656 HydrophobicContact CB-CZ 3.97Å; K644-F656 HydrophobicContact CD-CD2 3.76Å; K644-F656 HydrophobicContact CD-CE2 3.76Å; K644-F656 HydrophobicContact CD-CZ 4.48Å; K644-F656 HydrophobicContact CG-CD1 4.44Å; K644-F656 HydrophobicContact CG-CD2 3.73Å; K644-F656 HydrophobicContact CG-CE1 4.19Å; K644-F656 HydrophobicContact CG-CE2 3.46Å; K644-F656 VanDerWaalsContact CG-CE2 3.46Å; K644-F656 HydrophobicContact CG-CG 4.23Å; K644-F656 HydrophobicContact CG-CZ 3.69Å; E648-F656 HydrophobicContact CB-CE2 4.22Å; E648-F656 HydrophobicContact CB-CZ 3.81Å; E648-F656 HydrophobicContact CG-CZ 4.46Å; D650-F656 HydrophobicContact CB-CD2 3.83Å; D650-F656 HydrophobicContact CB-CE2 4.47Å; D650-F656 WeakPolarHBondContact OD1-CD2 3.08Å; D650-F656 PolarHBondContact OD1-N 2.86Å; Y654-F656 HydrophobicContact CD2-CE1 4.19Å; Y654-F656 HydrophobicContact CD2-CZ 4.04Å; Y654-F656 HydrophobicContact CG-CE1 4.38Å; Y654-F656 HydrophobicContact CG-CZ 4.38Å; Y654-F656 WeakPolarHBondContact O-CD2 3.33Å
657	V	95.6	Very high	94.5	Very high	37 Å²	37	70.3 Å²	70.3	22%	0.224	35%	0.352	C	S	.	.			trans	-85.7	123.3	-177.7	-171.6	0	0	0	0	109.8	H639 T640 T641 H655 S659 M663	H639-V657 HydrophobicContact CB-CG2 4.13Å; T640-V657 PolarHBondContact O-N 3.39Å; T641-V657 WeakPolarHBondContact CA-O 3.09Å; H655-V657 PolarHBondContact O-N 2.68Å; V657-S659 WeakPolarHBondContact CG1-O 3.3Å; V657-M663 HydrophobicContact CG1-CB 4.26Å; V657-M663 HydrophobicContact CG2-SD 4.32Å
658	S	91.2	Very high	94.6	Very high	132 Å²	132	70 Å²	70	92%	0.923	36%	0.356	S	S	*	.	S	Bend	trans	-76.2	-34.4	-177.3	53.7	0	0	0	0	113.9
659	S	95.5	Very high	94.6	Very high	40 Å²	40	71.9 Å²	71.9	28%	0.28	37%	0.371	S	S	.	.			trans	-102.8	115.8	177.5	172.4	0	0	0	0	111.2	V657 E661 Q662 M663	V657-S659 WeakPolarHBondContact CG1-O 3.3Å; S659-E661 VanDerWaalsContact C-N 3.31Å; S659-E661 PolarHBondContact OG-N 3.22Å; S659-E661 PolarHBondContact OG-OE2 3.32Å; S659-Q662 PolarHBondContact O-N 3.26Å; S659-Q662 PolarHBondContact OG-N 3.26Å; S659-M663 PolarHBondContact O-N 2.79Å
660	R	94.8	Very high	94.5	Very high	65 Å²	65	76 Å²	76	25%	0.245	39%	0.385	C	S	.	.	H	α-helix	trans	-63.2	-41.8	172.4	178.3	-179.5	169.2	114.3	9.9	110.9	T641 Q662 M663 E664 S680 L682	T641-R660 HydrophobicContact CG2-CB 4.07Å; T641-R660 HydrophobicContact CG2-CG 4.26Å; R660-Q662 VanDerWaalsContact C-N 3.28Å; R660-Q662 PolarHBondContact O-N 3.02Å; R660-M663 PolarHBondContact O-N 3.45Å; R660-M663 VanDerWaalsContact O-N 3.13Å; R660-E664 HydrophobicContact CG-CG 4.41Å; R660-E664 IonicContact CZ-OE1 3.78Å; R660-E664 VanDerWaalsContact CZ-OE1 3.25Å; R660-E664 IonicContact NE-OE1 2.8Å; R660-E664 PolarHBondContact NE-OE1 2.71Å; R660-E664 IonicContact NH2-OE1 3.12Å; R660-E664 PolarHBondContact NH2-OE1 3Å; R660-E664 WeakPolarHBondContact O-CG 3.21Å; R660-E664 PolarHBondContact O-N 2.8Å; R660-S680 PolarHBondContact NH1-O 2.87Å; R660-L682 HydrophobicContact CG-CD1 3.84Å; R660-L682 HydrophobicContact CG-CG 4.35Å
661	E	96.3	Very high	94.7	Very high	131 Å²	131	77.3 Å²	77.3	61%	0.612	38%	0.384	S	S	*	.	H	α-helix	trans	-61.2	-40.2	-179.3	-57	74.7	-161.7	0	0	110.9	S659 E664 K665	S659-E661 VanDerWaalsContact C-N 3.31Å; S659-E661 PolarHBondContact OG-N 3.22Å; S659-E661 PolarHBondContact OG-OE2 3.32Å; E661-E664 PolarHBondContact O-N 2.86Å; E661-K665 WeakPolarHBondContact O-CB 3.49Å; E661-K665 PolarHBondContact O-N 2.99Å
662	Q	95	Very high	95.1	Very high	84 Å²	84	76 Å²	76	39%	0.393	37%	0.367	S	S	.	.	H	α-helix	trans	-63.7	-46.9	174.5	-172.9	60.4	55.8	0	0	110.9	S659 R660 E664 K665 D666	S659-Q662 PolarHBondContact O-N 3.26Å; S659-Q662 PolarHBondContact OG-N 3.26Å; R660-Q662 VanDerWaalsContact C-N 3.28Å; R660-Q662 PolarHBondContact O-N 3.02Å; Q662-E664 VanDerWaalsContact C-N 3.31Å; Q662-E664 PolarHBondContact O-N 2.91Å; Q662-K665 WeakPolarHBondContact O-CB 3.38Å; Q662-K665 PolarHBondContact O-N 2.92Å; Q662-D666 PolarHBondContact NE2-OD1 2.85Å; Q662-D666 PolarHBondContact O-N 2.87Å
663	M	97.1	Very high	95.4	Very high	1 Å²	1	69.2 Å²	69.2	1%	0.005	34%	0.342	C	S	.	.	H	α-helix	trans	-62	-37.6	177.1	-169.5	170.7	177.5	0	0	112.3	H639 T641 V657 S659 R660 D666 I667 F672 L682	H639-M663 HydrophobicContact CB-CE 3.85Å; H639-M663 HydrophobicContact CB-SD 4.45Å; T641-M663 HydrophobicContact CG2-CB 3.99Å; T641-M663 HydrophobicContact CG2-CG 4.38Å; T641-M663 HydrophobicContact CG2-SD 3.58Å; T641-M663 VanDerWaalsContact CG2-SD 3.58Å; V657-M663 HydrophobicContact CG1-CB 4.26Å; V657-M663 HydrophobicContact CG2-SD 4.32Å; S659-M663 PolarHBondContact O-N 2.79Å; R660-M663 PolarHBondContact O-N 3.45Å; R660-M663 VanDerWaalsContact O-N 3.13Å; M663-D666 PolarHBondContact O-N 3.44Å; M663-I667 HydrophobicContact CG-CD1 4.14Å; M663-I667 WeakPolarHBondContact O-CD1 3.37Å; M663-I667 WeakPolarHBondContact O-CG1 3.46Å; M663-I667 PolarHBondContact O-N 3.5Å; M663-F672 HydrophobicContact CE-CE1 3.76Å; M663-F672 HydrophobicContact CE-CZ 3.84Å; M663-F672 HydrophobicContact CG-CE2 4.36Å; M663-F672 HydrophobicContact CG-CZ 4.24Å; M663-L682 HydrophobicContact CB-CD1 4.36Å; M663-L682 HydrophobicContact CE-CB 4.13Å; M663-L682 HydrophobicContact CG-CD1 4.38Å; M663-L682 HydrophobicContact SD-CB 3.79Å
664	E	97.2	Very high	95.6	Very high	70 Å²	70	69.2 Å²	69.2	33%	0.327	34%	0.34	S	S	.	.	H	α-helix	trans	-63.4	-43	174.6	-70.9	177.3	169.4	0	0	111.8	R660 E661 Q662 D666 I667 Q668 L682	R660-E664 HydrophobicContact CG-CG 4.41Å; R660-E664 IonicContact CZ-OE1 3.78Å; R660-E664 VanDerWaalsContact CZ-OE1 3.25Å; R660-E664 IonicContact NE-OE1 2.8Å; R660-E664 PolarHBondContact NE-OE1 2.71Å; R660-E664 IonicContact NH2-OE1 3.12Å; R660-E664 PolarHBondContact NH2-OE1 3Å; R660-E664 WeakPolarHBondContact O-CG 3.21Å; R660-E664 PolarHBondContact O-N 2.8Å; E661-E664 PolarHBondContact O-N 2.86Å; Q662-E664 VanDerWaalsContact C-N 3.31Å; Q662-E664 PolarHBondContact O-N 2.91Å; E664-D666 VanDerWaalsContact C-N 3.31Å; E664-D666 PolarHBondContact O-N 2.76Å; E664-I667 PolarHBondContact O-N 2.63Å; E664-Q668 WeakPolarHBondContact O-CG 3.26Å; E664-Q668 PolarHBondContact O-N 2.82Å; E664-L682 HydrophobicContact CG-CD1 3.42Å; E664-L682 VanDerWaalsContact CG-CD1 3.42Å
665	K	96.6	Very high	95.6	Very high	130 Å²	130	68 Å²	68	57%	0.565	34%	0.343	S	S	*	.	H	α-helix	trans	-62.6	-39.7	173.6	-170.8	178.7	-178.5	-179.4	0	111.6	E661 Q662 Q668 S669	E661-K665 WeakPolarHBondContact O-CB 3.49Å; E661-K665 PolarHBondContact O-N 2.99Å; Q662-K665 WeakPolarHBondContact O-CB 3.38Å; Q662-K665 PolarHBondContact O-N 2.92Å; K665-Q668 PolarHBondContact O-N 3.28Å; K665-S669 WeakPolarHBondContact O-CB 3.46Å; K665-S669 PolarHBondContact O-N 2.9Å; K665-S669 PolarHBondContact O-OG 3.17Å
666	D	95.6	Very high	95.4	Very high	27 Å²	27	67.1 Å²	67.1	14%	0.144	35%	0.347	C	S	.	.	H	α-helix	trans	-64.1	-42.8	178	-68.4	14.5	0	0	0	111	Q662 M663 E664 S669 H670 R671 F672	Q662-D666 PolarHBondContact NE2-OD1 2.85Å; Q662-D666 PolarHBondContact O-N 2.87Å; M663-D666 PolarHBondContact O-N 3.44Å; E664-D666 VanDerWaalsContact C-N 3.31Å; E664-D666 PolarHBondContact O-N 2.76Å; D666-S669 VanDerWaalsContact CA-OG 3.3Å; D666-S669 WeakPolarHBondContact CA-OG 3.32Å; D666-S669 CarbonylContact O-C 3.45Å; D666-S669 PolarHBondContact O-N 3.01Å; D666-S669 PolarHBondContact O-OG 3.1Å; D666-H670 PolarHBondContact O-N 2.9Å; D666-R671 HydrophobicContact CB-CB 4.46Å; D666-R671 WeakPolarHBondContact O-CB 3.36Å; D666-R671 PolarHBondContact O-N 2.88Å; D666-R671 VanDerWaalsContact O-N 3.09Å; D666-R671 IonicContact OD1-CZ 2.85Å; D666-R671 IonicContact OD1-NE 3.99Å; D666-R671 IonicContact OD1-NH1 2.96Å; D666-R671 PolarHBondContact OD1-NH1 3.5Å; D666-R671 IonicContact OD1-NH2 3.69Å; D666-R671 PolarHBondContact OD1-NH2 3.13Å; D666-R671 IonicContact OD2-CZ 3.81Å; D666-R671 IonicContact OD2-NH1 3.89Å; D666-R671 PolarHBondContact OD2-NH1 3.31Å; D666-R671 VanDerWaalsContact OD2-NH1 3.12Å; D666-R671 IonicContact OD2-NH2 2.73Å; D666-F672 HydrophobicContact CB-CD2 4.09Å; D666-F672 HydrophobicContact CB-CE2 3.69Å
667	I	94.9	Very high	95.3	Very high	53 Å²	53	70.4 Å²	70.4	27%	0.272	36%	0.363	S	S	.	.	H	α-helix	trans	-60.5	-46.2	173.9	-68.5	161.9	0	0	0	110.8	M663 E664 S669 H670 F672 A675 L682	M663-I667 HydrophobicContact CG-CD1 4.14Å; M663-I667 WeakPolarHBondContact O-CD1 3.37Å; M663-I667 WeakPolarHBondContact O-CG1 3.46Å; M663-I667 PolarHBondContact O-N 3.5Å; E664-I667 PolarHBondContact O-N 2.63Å; I667-S669 VanDerWaalsContact C-N 3.29Å; I667-S669 PolarHBondContact O-N 3.49Å; I667-H670 PolarHBondContact O-N 3.14Å; I667-F672 HydrophobicContact CG1-CB 4.2Å; I667-F672 HydrophobicContact CG1-CD2 3.74Å; I667-F672 HydrophobicContact CG1-CE2 4.34Å; I667-F672 HydrophobicContact CG1-CG 3.96Å; I667-A675 HydrophobicContact CD1-CB 3.57Å; I667-A675 HydrophobicContact CG1-CB 3.73Å; I667-A675 HydrophobicContact CG2-CB 4.35Å; I667-L682 HydrophobicContact CD1-CD1 4.3Å
668	Q	94	Very high	95.2	Very high	147 Å²	147	72.8 Å²	72.8	69%	0.687	37%	0.369	S	S	*	.	H	α-helix	trans	-64.1	-33.8	176.6	-70.9	171.7	8	0	0	112.4	E664 K665 H670	E664-Q668 WeakPolarHBondContact O-CG 3.26Å; E664-Q668 PolarHBondContact O-N 2.82Å; K665-Q668 PolarHBondContact O-N 3.28Å; Q668-H670 PolarHBondContact O-N 3.19Å
669	S	93.8	Very high	95.3	Very high	56 Å²	56	71.8 Å²	71.8	39%	0.392	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	14.9	176	70.1	0	0	0	0	114.4	K665 D666 I667 R671	K665-S669 WeakPolarHBondContact O-CB 3.46Å; K665-S669 PolarHBondContact O-N 2.9Å; K665-S669 PolarHBondContact O-OG 3.17Å; D666-S669 VanDerWaalsContact CA-OG 3.3Å; D666-S669 WeakPolarHBondContact CA-OG 3.32Å; D666-S669 CarbonylContact O-C 3.45Å; D666-S669 PolarHBondContact O-N 3.01Å; D666-S669 PolarHBondContact O-OG 3.1Å; I667-S669 VanDerWaalsContact C-N 3.29Å; I667-S669 PolarHBondContact O-N 3.49Å; S669-R671 PolarHBondContact O-N 2.8Å; S669-R671 PolarHBondContact OG-NE 2.6Å
670	H	93.2	Very high	95.1	Very high	149 Å²	149	74 Å²	74	69%	0.69	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.5	27.8	179.6	-58	-63.9	0	0	0	115.1	D666 I667 Q668 F672	D666-H670 PolarHBondContact O-N 2.9Å; I667-H670 PolarHBondContact O-N 3.14Å; Q668-H670 PolarHBondContact O-N 3.19Å; H670-F672 VanDerWaalsContact C-N 3.3Å
671	R	95.9	Very high	95.1	Very high	119 Å²	119	73.7 Å²	73.7	45%	0.449	37%	0.37	S	S	.	.			trans	-82.7	-5.5	174.8	-74.9	-171	-84.6	163.7	-10.1	114.2	D666 S669 S686 V687	D666-R671 HydrophobicContact CB-CB 4.46Å; D666-R671 WeakPolarHBondContact O-CB 3.36Å; D666-R671 PolarHBondContact O-N 2.88Å; D666-R671 VanDerWaalsContact O-N 3.09Å; D666-R671 IonicContact OD1-CZ 2.85Å; D666-R671 IonicContact OD1-NE 3.99Å; D666-R671 IonicContact OD1-NH1 2.96Å; D666-R671 PolarHBondContact OD1-NH1 3.5Å; D666-R671 IonicContact OD1-NH2 3.69Å; D666-R671 PolarHBondContact OD1-NH2 3.13Å; D666-R671 IonicContact OD2-CZ 3.81Å; D666-R671 IonicContact OD2-NH1 3.89Å; D666-R671 PolarHBondContact OD2-NH1 3.31Å; D666-R671 VanDerWaalsContact OD2-NH1 3.12Å; D666-R671 IonicContact OD2-NH2 2.73Å; S669-R671 PolarHBondContact O-N 2.8Å; S669-R671 PolarHBondContact OG-NE 2.6Å; R671-S686 CarbonylContact O-C 3.47Å; R671-S686 WeakPolarHBondContact O-CA 3.37Å; R671-V687 PolarHBondContact O-N 2.91Å
672	F	97.6	Very high	95.2	Very high	9 Å²	9	68 Å²	68	4%	0.039	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	133.4	178.8	-78.5	-94.7	0	0	0	111.6	H639 M663 D666 I667 H670 A675 T685 R712	H639-F672 HydrophobicContact CB-CE1 3.86Å; H639-F672 HydrophobicContact CB-CZ 3.96Å; H639-F672 AromaticContact CG-CE1 3.94Å; H639-F672 AromaticContact CG-CZ 3.86Å; M663-F672 HydrophobicContact CE-CE1 3.76Å; M663-F672 HydrophobicContact CE-CZ 3.84Å; M663-F672 HydrophobicContact CG-CE2 4.36Å; M663-F672 HydrophobicContact CG-CZ 4.24Å; D666-F672 HydrophobicContact CB-CD2 4.09Å; D666-F672 HydrophobicContact CB-CE2 3.69Å; I667-F672 HydrophobicContact CG1-CB 4.2Å; I667-F672 HydrophobicContact CG1-CD2 3.74Å; I667-F672 HydrophobicContact CG1-CE2 4.34Å; I667-F672 HydrophobicContact CG1-CG 3.96Å; H670-F672 VanDerWaalsContact C-N 3.3Å; F672-A675 HydrophobicContact CB-CB 4.36Å; F672-T685 WeakPolarHBondContact CA-O 3.17Å; F672-T685 VanDerWaalsContact CD1-C 3.46Å; F672-T685 WeakPolarHBondContact CD1-O 3.25Å; F672-R712 WeakPolarHBondContact O-CD 3.48Å
673	I	96.9	Very high	95.3	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	-30.7	174.7	60.9	158.3	0	0	0	111.3	T685 V687 V690 L703 V705 A709 R712 L713	I673-T685 HydrophobicContact CD1-CG2 3.84Å; I673-T685 HydrophobicContact CG1-CG2 3.91Å; I673-T685 VanDerWaalsContact CG1-O 3.26Å; I673-T685 WeakPolarHBondContact CG1-O 3.46Å; I673-T685 PolarHBondContact N-O 3.43Å; I673-V687 HydrophobicContact CG2-CB 4.47Å; I673-V687 HydrophobicContact CG2-CG2 3.62Å; I673-V690 HydrophobicContact CD1-CG2 3.85Å; I673-L703 HydrophobicContact CD1-CD1 3.84Å; I673-L703 HydrophobicContact CD1-CD2 4.22Å; I673-V705 HydrophobicContact CD1-CG1 4.22Å; I673-A709 HydrophobicContact CB-CB 4.47Å; I673-A709 HydrophobicContact CD1-CB 4.46Å; I673-R712 HydrophobicContact CB-CB 4.41Å; I673-R712 VanDerWaalsContact O-CD 3.32Å; I673-R712 WeakPolarHBondContact O-CD 3.22Å; I673-R712 PolarHBondContact O-NH1 3.49Å; I673-L713 HydrophobicContact CB-CG 4.43Å; I673-L713 HydrophobicContact CD1-CD1 4.43Å; I673-L713 HydrophobicContact CD1-CD2 4.39Å; I673-L713 HydrophobicContact CD1-CG 4.42Å; I673-L713 HydrophobicContact CG2-CD2 3.69Å; I673-L713 HydrophobicContact CG2-CG 3.87Å
674	E	96.8	Very high	95.2	Very high	53 Å²	53	66 Å²	66	25%	0.248	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	139.7	172.8	-170.4	163.7	81.6	0	0	109	G684 T685 V705 S706	E674-G684 CarbonylContact O-C 3.59Å; E674-G684 WeakPolarHBondContact O-CA 3.39Å; E674-T685 PolarHBondContact O-N 3.18Å; E674-V705 HydrophobicContact CB-CB 4.42Å; E674-V705 HydrophobicContact CB-CG1 4.06Å; E674-V705 WeakPolarHBondContact OE1-CA 3.43Å; E674-S706 PolarHBondContact OE1-N 3.05Å; E674-S706 WeakPolarHBondContact OE2-CB 3.24Å; E674-S706 PolarHBondContact OE2-N 2.59Å; E674-S706 PolarHBondContact OE2-OG 2.65Å
675	A	95.4	Very high	95.2	Very high	38 Å²	38	63.7 Å²	63.7	31%	0.314	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	148	173.8	0	0	0	0	0	109.7	I667 F672 Y683	I667-A675 HydrophobicContact CD1-CB 3.57Å; I667-A675 HydrophobicContact CG1-CB 3.73Å; I667-A675 HydrophobicContact CG2-CB 4.35Å; F672-A675 HydrophobicContact CB-CB 4.36Å; A675-Y683 CarbonylContact C-O 3.55Å; A675-Y683 WeakPolarHBondContact CA-O 3.48Å
676	G	93.2	Very high	95.3	Very high	31 Å²	31	57.9 Å²	57.9	32%	0.32	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	165.3	-179.9	0	0	0	0	0	111.5	L682 Y683	G676-L682 WeakPolarHBondContact O-CA 3.37Å; G676-Y683 PolarHBondContact N-O 3.28Å; G676-Y683 PolarHBondContact O-N 3.15Å
677	Q	95	Very high	95.4	Very high	106 Å²	106	57.1 Å²	57.1	50%	0.495	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	132	177.2	-178.6	168.2	-28.8	0	0	110.1	H681 L682	Q677-H681 CarbonylContact C-O 3.49Å; Q677-H681 WeakPolarHBondContact CA-O 3.38Å; Q677-L682 HydrophobicContact CB-CD2 3.94Å; Q677-L682 HydrophobicContact CG-CD2 4.28Å
678	Y	92.4	Very high	95.5	Very high	87 Å²	87	58.8 Å²	58.8	34%	0.341	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	130.6	175	-179.1	-105.1	0	0	0	110.7	S680 H681 Y683	Y678-S680 PolarHBondContact O-N 2.94Å; Y678-H681 PolarHBondContact N-O 2.96Å; Y678-H681 PolarHBondContact O-N 3.22Å; Y678-H681 VanDerWaalsContact O-O 3.14Å; Y678-Y683 HydrophobicContact CD1-CE2 4.36Å
679	N	93.1	Very high	95.7	Very high	111 Å²	111	51.9 Å²	51.9	59%	0.594	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.8	47.5	-175.3	-70.1	-18	0	0	0	112.7	H681	N679-H681 PolarHBondContact O-CE1 2.89Å; N679-H681 PolarHBondContact O-N 3.46Å; N679-H681 VanDerWaalsContact O-N 3.12Å; N679-H681 PolarHBondContact O-ND1 3.43Å
680	S	92.4	Very high	95.9	Very high	88 Å²	88	49.2 Å²	49.2	62%	0.615	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.2	8.5	-179.3	-53	0	0	0	0	116.5	R660 Y678	R660-S680 PolarHBondContact NH1-O 2.87Å; Y678-S680 PolarHBondContact O-N 2.94Å
681	H	95.1	Very high	96.1	Very high	58 Å²	58	45.6 Å²	45.6	27%	0.269	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	148.7	173.6	-57.3	91.6	0	0	0	110.3	T641 R642 Q677 Y678 N679 Y683	T641-H681 WeakPolarHBondContact OG1-CA 3.48Å; R642-H681 WeakPolarHBondContact CA-CD2 3.47Å; R642-H681 HydrophobicContact CB-CB 3.93Å; Q677-H681 CarbonylContact C-O 3.49Å; Q677-H681 WeakPolarHBondContact CA-O 3.38Å; Y678-H681 PolarHBondContact N-O 2.96Å; Y678-H681 PolarHBondContact O-N 3.22Å; Y678-H681 VanDerWaalsContact O-O 3.14Å; N679-H681 PolarHBondContact O-CE1 2.89Å; N679-H681 PolarHBondContact O-N 3.46Å; N679-H681 VanDerWaalsContact O-N 3.12Å; N679-H681 PolarHBondContact O-ND1 3.43Å; H681-Y683 HydrophobicContact CB-CE2 3.94Å
682	L	97.1	Very high	96.2	Very high	11 Å²	11	42.8 Å²	42.8	6%	0.058	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	146.1	174.7	-58.4	176.5	0	0	0	109.8	T640 T641 R660 M663 E664 I667 G676 Q677	T640-L682 CarbonylContact C-O 3.56Å; T640-L682 WeakPolarHBondContact CA-O 3.29Å; T640-L682 PolarHBondContact OG1-O 3.09Å; T641-L682 HydrophobicContact CG2-CB 3.87Å; T641-L682 HydrophobicContact CG2-CD1 4.28Å; T641-L682 HydrophobicContact CG2-CG 4.31Å; T641-L682 PolarHBondContact N-O 3.31Å; T641-L682 PolarHBondContact OG1-N 3.48Å; R660-L682 HydrophobicContact CG-CD1 3.84Å; R660-L682 HydrophobicContact CG-CG 4.35Å; M663-L682 HydrophobicContact CB-CD1 4.36Å; M663-L682 HydrophobicContact CE-CB 4.13Å; M663-L682 HydrophobicContact CG-CD1 4.38Å; M663-L682 HydrophobicContact SD-CB 3.79Å; E664-L682 HydrophobicContact CG-CD1 3.42Å; E664-L682 VanDerWaalsContact CG-CD1 3.42Å; I667-L682 HydrophobicContact CD1-CD1 4.3Å; G676-L682 WeakPolarHBondContact O-CA 3.37Å; Q677-L682 HydrophobicContact CB-CD2 3.94Å; Q677-L682 HydrophobicContact CG-CD2 4.28Å
683	Y	97.2	Very high	96.2	Very high	34 Å²	34	42.6 Å²	42.6	13%	0.133	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	143.3	172.4	-65.3	-95.9	0	0	0	107.7	H639 T640 R642 Y654 A675 G676 Y678 H681	H639-Y683 VanDerWaalsContact O-CA 3.3Å; H639-Y683 WeakPolarHBondContact O-CA 3.42Å; T640-Y683 HydrophobicContact CG2-CE1 4.33Å; T640-Y683 WeakPolarHBondContact OG1-CD1 3.48Å; T640-Y683 WeakPolarHBondContact OG1-CE1 3.38Å; R642-Y683 VanDerWaalsContact CD-OH 3.31Å; R642-Y683 WeakPolarHBondContact CD-OH 3.48Å; R642-Y683 PolarHBondContact NE-OH 2.84Å; Y654-Y683 HydrophobicContact CD1-CD1 4.35Å; Y654-Y683 AromaticContact CE1-CD1 3.71Å; Y654-Y683 HydrophobicContact CE1-CD1 3.71Å; Y654-Y683 AromaticContact CE1-CE1 3.99Å; Y654-Y683 HydrophobicContact CE1-CE1 3.99Å; A675-Y683 CarbonylContact C-O 3.55Å; A675-Y683 WeakPolarHBondContact CA-O 3.48Å; G676-Y683 PolarHBondContact N-O 3.28Å; G676-Y683 PolarHBondContact O-N 3.15Å; Y678-Y683 HydrophobicContact CD1-CE2 4.36Å; H681-Y683 HydrophobicContact CB-CE2 3.94Å
684	G	96.1	Very high	96.2	Very high	8 Å²	8	42.6 Å²	42.6	8%	0.082	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.7	158.3	175	0	0	0	0	0	113.7	H639 E674	H639-G684 PolarHBondContact N-O 3.37Å; H639-G684 PolarHBondContact O-N 3.22Å; E674-G684 CarbonylContact O-C 3.59Å; E674-G684 WeakPolarHBondContact O-CA 3.39Å
685	T	97.7	Very high	96.1	Very high	22 Å²	22	44.5 Å²	44.5	14%	0.135	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	118	174.1	-56.6	0	0	0	0	108.4	C636 F672 I673 E674 V690 L703	C636-T685 WeakPolarHBondContact SG-CG2 3.29Å; F672-T685 WeakPolarHBondContact CA-O 3.17Å; F672-T685 VanDerWaalsContact CD1-C 3.46Å; F672-T685 WeakPolarHBondContact CD1-O 3.25Å; I673-T685 HydrophobicContact CD1-CG2 3.84Å; I673-T685 HydrophobicContact CG1-CG2 3.91Å; I673-T685 VanDerWaalsContact CG1-O 3.26Å; I673-T685 WeakPolarHBondContact CG1-O 3.46Å; I673-T685 PolarHBondContact N-O 3.43Å; E674-T685 PolarHBondContact O-N 3.18Å; T685-V690 HydrophobicContact CG2-CG2 3.95Å; T685-L703 HydrophobicContact CG2-CD2 4.29Å
686	S	97.7	Very high	96.1	Very high	8 Å²	8	49.2 Å²	49.2	6%	0.056	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	152	-179.6	85	0	0	0	0	110.6	H639 R671 Q688 S689 V690	H639-S686 PolarHBondContact CE1-OG 3.09Å; R671-S686 CarbonylContact O-C 3.47Å; R671-S686 WeakPolarHBondContact O-CA 3.37Å; S686-Q688 PolarHBondContact O-N 3.09Å; S686-Q688 PolarHBondContact OG-N 3.44Å; S686-S689 PolarHBondContact O-N 3.18Å; S686-S689 WeakPolarHBondContact OG-CB 3.47Å; S686-S689 PolarHBondContact OG-N 3.01Å; S686-S689 PolarHBondContact OG-OG 3.33Å; S686-V690 PolarHBondContact O-N 2.8Å
687	V	97.8	Very high	96.2	Very high	12 Å²	12	53 Å²	53	7%	0.073	26%	0.259	C	S	.	.	H	α-helix	trans	-57.1	-38.2	170.7	173.2	0	0	0	0	110.2	R671 I673 V690 R691 A716 L718	R671-V687 PolarHBondContact O-N 2.91Å; I673-V687 HydrophobicContact CG2-CB 4.47Å; I673-V687 HydrophobicContact CG2-CG2 3.62Å; V687-V690 PolarHBondContact O-N 3Å; V687-R691 PolarHBondContact O-N 3.09Å; V687-A716 HydrophobicContact CG1-CB 3.7Å; V687-A716 HydrophobicContact CG2-CB 4.02Å; V687-L718 HydrophobicContact CG1-CD1 4.3Å
688	Q	96.9	Very high	96.2	Very high	88 Å²	88	50.3 Å²	50.3	41%	0.411	26%	0.26	S	S	.	.	H	α-helix	trans	-64.8	-43.8	-177.6	-174.2	56.1	34.7	0	0	112.1	S686 V690 R691 E692	S686-Q688 PolarHBondContact O-N 3.09Å; S686-Q688 PolarHBondContact OG-N 3.44Å; Q688-V690 PolarHBondContact O-N 2.9Å; Q688-R691 WeakPolarHBondContact O-CB 3.38Å; Q688-R691 PolarHBondContact O-N 2.7Å; Q688-R691 VanDerWaalsContact O-N 3.08Å; Q688-E692 WeakPolarHBondContact O-CG 3.4Å; Q688-E692 PolarHBondContact O-N 3.12Å
689	S	97.8	Very high	96.5	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.007	25%	0.254	C	S	.	.	H	α-helix	trans	-60	-33.3	176.3	-54	0	0	0	0	111.9	C636 V637 H639 S686	C636-S689 WeakPolarHBondContact CB-O 3.4Å; V637-S689 WeakPolarHBondContact O-CB 3.39Å; V637-S689 PolarHBondContact O-OG 3.35Å; V637-S689 VanDerWaalsContact O-OG 3.12Å; H639-S689 PolarHBondContact CE1-OG 3.45Å; H639-S689 VanDerWaalsContact CE1-OG 3.29Å; S686-S689 PolarHBondContact O-N 3.18Å; S686-S689 WeakPolarHBondContact OG-CB 3.47Å; S686-S689 PolarHBondContact OG-N 3.01Å; S686-S689 PolarHBondContact OG-OG 3.33Å
690	V	98.3	Very high	96.8	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-72.3	-43.1	174.6	-175.6	0	0	0	0	111.2	P610 I673 T685 S686 V687 Q688 E692 V693 A694 C701 L703 L713 L718	P610-V690 HydrophobicContact CB-CG1 3.99Å; P610-V690 HydrophobicContact CG-CG1 3.55Å; I673-V690 HydrophobicContact CD1-CG2 3.85Å; T685-V690 HydrophobicContact CG2-CG2 3.95Å; S686-V690 PolarHBondContact O-N 2.8Å; V687-V690 PolarHBondContact O-N 3Å; Q688-V690 PolarHBondContact O-N 2.9Å; V690-E692 VanDerWaalsContact C-N 3.32Å; V690-E692 PolarHBondContact O-N 3.42Å; V690-V693 PolarHBondContact O-N 3.02Å; V690-A694 WeakPolarHBondContact O-CB 3.34Å; V690-A694 PolarHBondContact O-N 2.93Å; V690-C701 HydrophobicContact CG1-CB 4.16Å; V690-L703 HydrophobicContact CG1-CD1 4.28Å; V690-L703 HydrophobicContact CG2-CD1 4.3Å; V690-L703 HydrophobicContact CG2-CD2 3.82Å; V690-L713 HydrophobicContact CB-CD2 4.49Å; V690-L713 HydrophobicContact CG1-CD2 4.07Å; V690-L718 HydrophobicContact CB-CD1 4.39Å; V690-L718 HydrophobicContact CG1-CD1 4.16Å
691	R	97.6	Very high	97.1	Very high	74 Å²	74	40.2 Å²	40.2	28%	0.279	20%	0.202	S	C	.	.	H	α-helix	trans	-60.1	-40.4	176.1	-74.3	-167.4	-176.3	135.3	1.5	112.4	V687 Q688 V693 A694 E695 A716 L718	V687-R691 PolarHBondContact O-N 3.09Å; Q688-R691 WeakPolarHBondContact O-CB 3.38Å; Q688-R691 PolarHBondContact O-N 2.7Å; Q688-R691 VanDerWaalsContact O-N 3.08Å; R691-V693 VanDerWaalsContact C-N 3.29Å; R691-V693 PolarHBondContact O-N 2.85Å; R691-A694 PolarHBondContact O-N 2.83Å; R691-E695 HydrophobicContact CB-CG 4.49Å; R691-E695 WeakPolarHBondContact CD-OE1 3.17Å; R691-E695 WeakPolarHBondContact CG-OE1 3.44Å; R691-E695 IonicContact NE-OE1 3.83Å; R691-E695 WeakPolarHBondContact O-CA 3.44Å; R691-E695 VanDerWaalsContact O-CB 3.25Å; R691-E695 WeakPolarHBondContact O-CB 3.46Å; R691-E695 PolarHBondContact O-N 2.85Å; R691-A716 PolarHBondContact NH2-O 2.56Å; R691-L718 HydrophobicContact CG-CD1 3.74Å; R691-L718 HydrophobicContact CG-CD2 4.29Å; R691-L718 HydrophobicContact CG-CG 4.4Å
692	E	97.1	Very high	97.2	Very high	60 Å²	60	37.7 Å²	37.7	28%	0.28	19%	0.191	S	C	.	.	I	π-helix	trans	-56.2	-44.3	178.1	-74.3	164.6	-169.8	0	0	111.8	Q688 V690 Q696 Q697	Q688-E692 WeakPolarHBondContact O-CG 3.4Å; Q688-E692 PolarHBondContact O-N 3.12Å; V690-E692 VanDerWaalsContact C-N 3.32Å; V690-E692 PolarHBondContact O-N 3.42Å; E692-Q696 WeakPolarHBondContact O-CA 3.48Å; E692-Q696 VanDerWaalsContact O-CB 3.24Å; E692-Q696 WeakPolarHBondContact O-CB 3.19Å; E692-Q696 PolarHBondContact O-N 3.34Å; E692-Q697 PolarHBondContact O-N 3.46Å
693	V	97.8	Very high	97.3	Very high	4 Å²	4	37.3 Å²	37.3	2%	0.024	19%	0.189	C	C	.	.	I	π-helix	trans	-72.3	-45.8	177	-177.5	0	0	0	0	111.5	C636 V690 R691 Q697 G698 K699 C701	C636-V693 HydrophobicContact CB-CG2 3.89Å; V690-V693 PolarHBondContact O-N 3.02Å; R691-V693 VanDerWaalsContact C-N 3.29Å; R691-V693 PolarHBondContact O-N 2.85Å; V693-Q697 WeakPolarHBondContact O-CB 3.36Å; V693-G698 PolarHBondContact O-N 3.24Å; V693-K699 CarbonylContact C-O 3.6Å; V693-K699 HydrophobicContact CG1-CB 4.02Å; V693-K699 PolarHBondContact O-N 3.09Å; V693-C701 HydrophobicContact CB-CB 3.87Å; V693-C701 HydrophobicContact CG1-CB 3.74Å
694	A	97.3	Very high	97.1	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.208	C	C	.	.	I	π-helix	trans	-70.5	-44.1	-174.4	0	0	0	0	0	114.1	Y607 A608 V690 R691 K699	Y607-A694 HydrophobicContact CD2-CB 4.43Å; A608-A694 PolarHBondContact N-O 2.92Å; A608-A694 VanDerWaalsContact O-CB 3.22Å; A608-A694 WeakPolarHBondContact O-CB 3.31Å; V690-A694 WeakPolarHBondContact O-CB 3.34Å; V690-A694 PolarHBondContact O-N 2.93Å; R691-A694 PolarHBondContact O-N 2.83Å; A694-K699 WeakPolarHBondContact CA-O 3.34Å
695	E	95.8	Very high	97.1	Very high	93 Å²	93	40.7 Å²	40.7	44%	0.435	21%	0.207	S	C	.	.	I	π-helix	trans	-97.4	-48.1	-172.5	-63.1	169.3	-175.4	0	0	111.5	Y607 R691	Y607-E695 HydrophobicContact CG-CG 4.46Å; R691-E695 HydrophobicContact CB-CG 4.49Å; R691-E695 WeakPolarHBondContact CD-OE1 3.17Å; R691-E695 WeakPolarHBondContact CG-OE1 3.44Å; R691-E695 IonicContact NE-OE1 3.83Å; R691-E695 WeakPolarHBondContact O-CA 3.44Å; R691-E695 VanDerWaalsContact O-CB 3.25Å; R691-E695 WeakPolarHBondContact O-CB 3.46Å; R691-E695 PolarHBondContact O-N 2.85Å
696	Q	93.7	Very high	96.9	Very high	137 Å²	137	41.8 Å²	41.8	64%	0.64	22%	0.216	S	C	*	.	I	π-helix	trans	-84	-42.3	-172.7	-52.6	176.1	0.8	0	0	112.2	E692	E692-Q696 WeakPolarHBondContact O-CA 3.48Å; E692-Q696 VanDerWaalsContact O-CB 3.24Å; E692-Q696 WeakPolarHBondContact O-CB 3.19Å; E692-Q696 PolarHBondContact O-N 3.34Å
697	Q	95.7	Very high	96.7	Very high	110 Å²	110	41.4 Å²	41.4	51%	0.514	21%	0.213	S	C	.	.	S	Bend	trans	-85.4	-15.5	177	-56.6	177.2	17.5	0	0	112.3	E692 V693 K699	E692-Q697 PolarHBondContact O-N 3.46Å; V693-Q697 WeakPolarHBondContact O-CB 3.36Å; Q697-K699 HydrophobicContact CB-CD 4.49Å; Q697-K699 HydrophobicContact CB-CG 4.23Å; Q697-K699 PolarHBondContact O-N 2.8Å
698	G	96.6	Very high	96.5	Very high	50 Å²	50	44.4 Å²	44.4	52%	0.515	23%	0.229	S	C	.	.			trans	64.6	25	-176.9	0	0	0	0	0	113.6	A608 V693	A608-G698 WeakPolarHBondContact CB-O 3.3Å; V693-G698 PolarHBondContact O-N 3.24Å
699	K	98.2	Very high	96.5	Very high	50 Å²	50	40.2 Å²	40.2	22%	0.217	21%	0.209	C	C	.	.			trans	-109.3	147.8	-176.7	-65.1	-173.5	-177.3	-174	0	111.6	A608 P630 D631 K632 V693 A694 Q697 C701	A608-K699 WeakPolarHBondContact CB-O 3.2Å; P630-K699 WeakPolarHBondContact O-CE 3.44Å; P630-K699 PolarHBondContact O-NZ 3.26Å; D631-K699 WeakPolarHBondContact O-CE 3.33Å; K632-K699 CarbonylContact O-C 2.93Å; K632-K699 WeakPolarHBondContact O-CA 3.42Å; V693-K699 CarbonylContact C-O 3.6Å; V693-K699 HydrophobicContact CG1-CB 4.02Å; V693-K699 PolarHBondContact O-N 3.09Å; A694-K699 WeakPolarHBondContact CA-O 3.34Å; Q697-K699 HydrophobicContact CB-CD 4.49Å; Q697-K699 HydrophobicContact CB-CG 4.23Å; Q697-K699 PolarHBondContact O-N 2.8Å; K699-C701 PolarHBondContact O-N 3.43Å; K699-C701 VanDerWaalsContact O-N 3.08Å
700	H	98.5	Very high	96.4	Very high	24 Å²	24	40.2 Å²	40.2	11%	0.111	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	109.3	169.3	-71.7	-69.1	0	0	0	109.9	R609 I611 K632 F633 G634 I702 S787	R609-H700 PolarHBondContact O-ND1 3.2Å; I611-H700 HydrophobicContact CD1-CB 4.28Å; I611-H700 HydrophobicContact CG1-CB 3.86Å; K632-H700 PolarHBondContact O-N 3.47Å; F633-H700 WeakPolarHBondContact CA-O 3.26Å; F633-H700 HydrophobicContact CD1-CB 3.46Å; F633-H700 VanDerWaalsContact CD1-CB 3.46Å; F633-H700 HydrophobicContact CE1-CB 3.73Å; F633-H700 HydrophobicContact CG-CB 4.48Å; G634-H700 PolarHBondContact N-O 3.43Å; H700-I702 PolarHBondContact O-N 3.2Å; H700-S787 PolarHBondContact CE1-OG 3.11Å; H700-S787 PolarHBondContact NE2-OG 2.95Å; H700-S787 VanDerWaalsContact NE2-OG 3.1Å
701	C	98.5	Very high	96.2	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	110.3	178.4	-169.8	0	0	0	0	110.4	P610 I611 G634 V690 V693 K699	P610-C701 CarbonylContact C-O 3.59Å; P610-C701 WeakPolarHBondContact CA-O 3.4Å; P610-C701 HydrophobicContact CB-CB 4.31Å; I611-C701 PolarHBondContact N-O 2.86Å; G634-C701 CarbonylContact O-C 3.58Å; G634-C701 WeakPolarHBondContact O-CA 3.12Å; V690-C701 HydrophobicContact CG1-CB 4.16Å; V693-C701 HydrophobicContact CB-CB 3.87Å; V693-C701 HydrophobicContact CG1-CB 3.74Å; K699-C701 PolarHBondContact O-N 3.43Å; K699-C701 VanDerWaalsContact O-N 3.08Å
702	I	98.4	Very high	96.1	Very high	6 Å²	6	46.7 Å²	46.7	3%	0.031	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	122.5	173.2	-57.7	-57.7	0	0	0	108.7	I611 N622 L625 L626 F633 G634 H700	I611-I702 HydrophobicContact CB-CD1 3.66Å; I611-I702 HydrophobicContact CG1-CD1 3.86Å; I611-I702 HydrophobicContact CG2-CD1 4.09Å; N622-I702 HydrophobicContact CB-CG2 3.74Å; L625-I702 HydrophobicContact CB-CD1 4.49Å; L625-I702 HydrophobicContact CD1-CD1 4.03Å; L626-I702 HydrophobicContact CD1-CB 4.39Å; L626-I702 HydrophobicContact CD1-CG2 4.42Å; L626-I702 HydrophobicContact CD2-CB 4.2Å; L626-I702 HydrophobicContact CD2-CG1 3.91Å; L626-I702 HydrophobicContact CG-CB 4.3Å; L626-I702 HydrophobicContact CG-CG1 4.04Å; F633-I702 HydrophobicContact CB-CD1 4.33Å; F633-I702 HydrophobicContact CB-CG1 3.94Å; F633-I702 HydrophobicContact CD1-CD1 3.44Å; F633-I702 VanDerWaalsContact CD1-CD1 3.44Å; F633-I702 HydrophobicContact CD1-CG1 4.02Å; F633-I702 HydrophobicContact CE1-CD1 4.11Å; F633-I702 HydrophobicContact CG-CD1 4.11Å; F633-I702 HydrophobicContact CG-CG1 4.26Å; G634-I702 PolarHBondContact O-N 2.91Å; H700-I702 PolarHBondContact O-N 3.2Å
703	L	97.9	Very high	96.1	Very high	3 Å²	3	43.9 Å²	43.9	2%	0.016	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	121.9	-176.3	-62.7	173.7	0	0	0	111.2	P610 I611 I612 I673 T685 V690 V705 L713	P610-L703 HydrophobicContact CB-CD1 3.87Å; I611-L703 PolarHBondContact O-N 2.85Å; I612-L703 HydrophobicContact CD1-CD1 4.38Å; I612-L703 HydrophobicContact CG1-CB 4.05Å; I612-L703 HydrophobicContact CG1-CD1 4.15Å; I673-L703 HydrophobicContact CD1-CD1 3.84Å; I673-L703 HydrophobicContact CD1-CD2 4.22Å; T685-L703 HydrophobicContact CG2-CD2 4.29Å; V690-L703 HydrophobicContact CG1-CD1 4.28Å; V690-L703 HydrophobicContact CG2-CD1 4.3Å; V690-L703 HydrophobicContact CG2-CD2 3.82Å; L703-V705 HydrophobicContact CB-CG1 4.46Å; L703-V705 HydrophobicContact CB-CG2 3.85Å; L703-V705 PolarHBondContact O-N 2.87Å; L703-L713 HydrophobicContact CD1-CD1 3.71Å
704	D	94.6	Very high	95.9	Very high	103 Å²	103	46.1 Å²	46.1	55%	0.551	23%	0.231	S	C	*	.			trans	-91.9	80.6	168.7	-173.2	19.3	0	0	0	110.5	K618	K618-D704 IonicContact NZ-OD1 3.67Å; K618-D704 PolarHBondContact NZ-OD1 3.35Å; K618-D704 IonicContact NZ-OD2 3.95Å
705	V	95.1	Very high	95.7	Very high	9 Å²	9	50 Å²	50	6%	0.055	26%	0.263	C	S	.	.			trans	-138.7	164.4	-174.8	-65.7	0	0	0	0	111.4	I612 I673 E674 L703 A709	I612-V705 HydrophobicContact CD1-CG2 3.96Å; I612-V705 HydrophobicContact CG1-CG2 4.13Å; I612-V705 HydrophobicContact CG2-CG2 4.24Å; I673-V705 HydrophobicContact CD1-CG1 4.22Å; E674-V705 HydrophobicContact CB-CB 4.42Å; E674-V705 HydrophobicContact CB-CG1 4.06Å; E674-V705 WeakPolarHBondContact OE1-CA 3.43Å; L703-V705 HydrophobicContact CB-CG1 4.46Å; L703-V705 HydrophobicContact CB-CG2 3.85Å; L703-V705 PolarHBondContact O-N 2.87Å; V705-A709 HydrophobicContact CB-CB 3.78Å; V705-A709 HydrophobicContact CG2-CB 3.39Å
706	S	93.5	Very high	95.6	Very high	45 Å²	45	46.6 Å²	46.6	32%	0.315	25%	0.25	S	S	.	.			trans	-71.9	163.6	173	72.5	0	0	0	0	112.8	E674 N708 A709	E674-S706 PolarHBondContact OE1-N 3.05Å; E674-S706 WeakPolarHBondContact OE2-CB 3.24Å; E674-S706 PolarHBondContact OE2-N 2.59Å; E674-S706 PolarHBondContact OE2-OG 2.65Å; S706-N708 PolarHBondContact O-N 2.84Å; S706-N708 PolarHBondContact OG-ND2 3.5Å; S706-A709 VanDerWaalsContact O-CB 3.29Å; S706-A709 WeakPolarHBondContact O-CB 3.28Å; S706-A709 PolarHBondContact O-N 3.38Å
707	A	93.4	Very high	95.7	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-20.5	176.7	0	0	0	0	0	113.9	L614 A709 V710 L755 F759	L614-A707 HydrophobicContact CD1-CB 3.79Å; L614-A707 HydrophobicContact CD2-CB 4.42Å; A707-A709 PolarHBondContact O-N 2.89Å; A707-V710 WeakPolarHBondContact O-CB 3.24Å; A707-V710 WeakPolarHBondContact O-CG2 3.4Å; A707-V710 PolarHBondContact O-N 3.48Å; A707-V710 VanDerWaalsContact O-N 3.17Å; A707-L755 HydrophobicContact CB-CD1 3.85Å; A707-F759 HydrophobicContact CB-CB 3.83Å; A707-F759 HydrophobicContact CB-CD1 3.51Å; A707-F759 HydrophobicContact CB-CD2 3.87Å; A707-F759 HydrophobicContact CB-CE1 3.97Å; A707-F759 HydrophobicContact CB-CE2 4.3Å; A707-F759 HydrophobicContact CB-CG 3.45Å; A707-F759 VanDerWaalsContact CB-CG 3.45Å; A707-F759 HydrophobicContact CB-CZ 4.34Å
708	N	94.4	Very high	95.7	Very high	76 Å²	76	41.3 Å²	41.3	41%	0.406	23%	0.226	S	C	.	.	H	α-helix	trans	-61.8	-29	174	-66.9	-61.1	0	0	0	112.6	S706 V710 R711 R712 F759	S706-N708 PolarHBondContact O-N 2.84Å; S706-N708 PolarHBondContact OG-ND2 3.5Å; N708-V710 PolarHBondContact O-N 2.85Å; N708-R711 PolarHBondContact O-N 2.82Å; N708-R712 PolarHBondContact O-N 2.91Å; N708-F759 VanDerWaalsContact OD1-CE1 3.29Å; N708-F759 WeakPolarHBondContact OD1-CE1 3.22Å; N708-F759 WeakPolarHBondContact OD1-CZ 3.33Å
709	A	95.9	Very high	95.7	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-64.1	-26.3	178.7	0	0	0	0	0	112.3	I612 I673 V705 S706 A707 R711 R712 L713	I612-A709 HydrophobicContact CD1-CB 4.45Å; I673-A709 HydrophobicContact CB-CB 4.47Å; I673-A709 HydrophobicContact CD1-CB 4.46Å; V705-A709 HydrophobicContact CB-CB 3.78Å; V705-A709 HydrophobicContact CG2-CB 3.39Å; S706-A709 VanDerWaalsContact O-CB 3.29Å; S706-A709 WeakPolarHBondContact O-CB 3.28Å; S706-A709 PolarHBondContact O-N 3.38Å; A707-A709 PolarHBondContact O-N 2.89Å; A709-R711 PolarHBondContact O-N 3.36Å; A709-R712 PolarHBondContact O-N 3.23Å; A709-L713 WeakPolarHBondContact O-CB 3.29Å; A709-L713 WeakPolarHBondContact O-CG 3.36Å; A709-L713 PolarHBondContact O-N 3.24Å
710	V	96.1	Very high	95.6	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.006	20%	0.197	C	C	.	.	H	α-helix	trans	-56.5	-50.3	176	177.5	0	0	0	0	110.6	I612 A707 N708 R712 L713 Q714 P720 A722 C762	I612-V710 HydrophobicContact CD1-CG2 3.78Å; A707-V710 WeakPolarHBondContact O-CB 3.24Å; A707-V710 WeakPolarHBondContact O-CG2 3.4Å; A707-V710 PolarHBondContact O-N 3.48Å; A707-V710 VanDerWaalsContact O-N 3.17Å; N708-V710 PolarHBondContact O-N 2.85Å; V710-R712 VanDerWaalsContact C-N 3.34Å; V710-R712 PolarHBondContact O-N 3.18Å; V710-L713 PolarHBondContact O-N 3.27Å; V710-Q714 VanDerWaalsContact O-CG 3.29Å; V710-Q714 WeakPolarHBondContact O-CG 3.21Å; V710-Q714 PolarHBondContact O-N 2.88Å; V710-P720 HydrophobicContact CB-CG 4.47Å; V710-P720 HydrophobicContact CG1-CG 4.02Å; V710-P720 HydrophobicContact CG2-CG 4.49Å; V710-A722 HydrophobicContact CG2-CB 3.86Å; V710-C762 HydrophobicContact CB-CB 4.15Å; V710-C762 HydrophobicContact CG1-CB 3.93Å; V710-C762 HydrophobicContact CG2-CB 4.38Å
711	R	93.6	Very high	95.6	Very high	99 Å²	99	36.6 Å²	36.6	37%	0.374	19%	0.192	S	C	.	.	H	α-helix	trans	-65.8	-37.3	179.5	-65.5	-176.4	-179.3	157.6	0.3	112.1	N708 A709 Q714 A715 E761	N708-R711 PolarHBondContact O-N 2.82Å; A709-R711 PolarHBondContact O-N 3.36Å; R711-Q714 PolarHBondContact O-N 3.24Å; R711-A715 WeakPolarHBondContact O-CB 3.33Å; R711-A715 PolarHBondContact O-N 2.94Å; R711-E761 IonicContact CZ-OE1 2.81Å; R711-E761 IonicContact NE-OE1 3.39Å; R711-E761 IonicContact NH2-OE1 3.66Å; R711-E761 PolarHBondContact NH2-OE1 3.48Å
712	R	95.4	Very high	95.6	Very high	111 Å²	111	36.6 Å²	36.6	42%	0.419	19%	0.192	S	C	.	.	H	α-helix	trans	-66.7	-40.2	176.9	-64.7	-145.7	-175.3	109	-7.2	112.1	F672 I673 N708 A709 V710 A715 A716	F672-R712 WeakPolarHBondContact O-CD 3.48Å; I673-R712 HydrophobicContact CB-CB 4.41Å; I673-R712 VanDerWaalsContact O-CD 3.32Å; I673-R712 WeakPolarHBondContact O-CD 3.22Å; I673-R712 PolarHBondContact O-NH1 3.49Å; N708-R712 PolarHBondContact O-N 2.91Å; A709-R712 PolarHBondContact O-N 3.23Å; V710-R712 VanDerWaalsContact C-N 3.34Å; V710-R712 PolarHBondContact O-N 3.18Å; R712-A715 PolarHBondContact O-N 3.32Å; R712-A716 PolarHBondContact O-N 3.37Å; R712-A716 VanDerWaalsContact O-N 3.13Å
713	L	96.8	Very high	95.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-63.7	-47.4	174.2	-77.4	165.6	0	0	0	111.2	I612 I673 V690 L703 A709 V710 A715 A716 Q717 L718 P720	I612-L713 HydrophobicContact CD1-CD1 3.75Å; I673-L713 HydrophobicContact CB-CG 4.43Å; I673-L713 HydrophobicContact CD1-CD1 4.43Å; I673-L713 HydrophobicContact CD1-CD2 4.39Å; I673-L713 HydrophobicContact CD1-CG 4.42Å; I673-L713 HydrophobicContact CG2-CD2 3.69Å; I673-L713 HydrophobicContact CG2-CG 3.87Å; V690-L713 HydrophobicContact CB-CD2 4.49Å; V690-L713 HydrophobicContact CG1-CD2 4.07Å; L703-L713 HydrophobicContact CD1-CD1 3.71Å; A709-L713 WeakPolarHBondContact O-CB 3.29Å; A709-L713 WeakPolarHBondContact O-CG 3.36Å; A709-L713 PolarHBondContact O-N 3.24Å; V710-L713 PolarHBondContact O-N 3.27Å; L713-A715 VanDerWaalsContact C-N 3.31Å; L713-A715 PolarHBondContact O-N 3.22Å; L713-A716 CarbonylContact O-C 3.49Å; L713-A716 WeakPolarHBondContact O-CA 3.38Å; L713-A716 WeakPolarHBondContact O-CB 3.45Å; L713-A716 PolarHBondContact O-N 3.05Å; L713-Q717 PolarHBondContact O-N 2.74Å; L713-L718 CarbonylContact C-O 3.55Å; L713-L718 HydrophobicContact CB-CB 4.35Å; L713-L718 WeakPolarHBondContact CB-O 3.42Å; L713-L718 HydrophobicContact CD2-CB 3.98Å; L713-L718 HydrophobicContact CD2-CD1 3.91Å; L713-L718 PolarHBondContact O-N 2.9Å; L713-P720 HydrophobicContact CB-CG 4.32Å; L713-P720 HydrophobicContact CD1-CB 4.07Å; L713-P720 HydrophobicContact CD1-CG 4Å
714	Q	93.9	Very high	95.6	Very high	52 Å²	52	36.2 Å²	36.2	24%	0.243	19%	0.189	C	C	.	.	H	α-helix	trans	-58.3	-42.5	176.8	-72.1	170.4	-19.3	0	0	111.9	V710 R711 A716 Q717 L718	V710-Q714 VanDerWaalsContact O-CG 3.29Å; V710-Q714 WeakPolarHBondContact O-CG 3.21Å; V710-Q714 PolarHBondContact O-N 2.88Å; R711-Q714 PolarHBondContact O-N 3.24Å; Q714-A716 PolarHBondContact O-N 2.99Å; Q714-Q717 PolarHBondContact O-N 3.43Å; Q714-L718 PolarHBondContact N-O 2.93Å
715	A	93.2	Very high	95.7	Very high	82 Å²	82	31.3 Å²	31.3	68%	0.678	16%	0.163	S	C	*	.	H	α-helix	trans	-61.7	-31.5	174.5	0	0	0	0	0	112.5	R711 R712 L713 Q717	R711-A715 WeakPolarHBondContact O-CB 3.33Å; R711-A715 PolarHBondContact O-N 2.94Å; R712-A715 PolarHBondContact O-N 3.32Å; L713-A715 VanDerWaalsContact C-N 3.31Å; L713-A715 PolarHBondContact O-N 3.22Å; A715-Q717 VanDerWaalsContact C-N 3.26Å; A715-Q717 PolarHBondContact O-N 3.05Å
716	A	94.7	Very high	95.8	Very high	20 Å²	20	33.2 Å²	33.2	17%	0.165	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	11.1	174.7	0	0	0	0	0	114.4	V687 R691 R712 L713 Q714 L718	V687-A716 HydrophobicContact CG1-CB 3.7Å; V687-A716 HydrophobicContact CG2-CB 4.02Å; R691-A716 PolarHBondContact NH2-O 2.56Å; R712-A716 PolarHBondContact O-N 3.37Å; R712-A716 VanDerWaalsContact O-N 3.13Å; L713-A716 CarbonylContact O-C 3.49Å; L713-A716 WeakPolarHBondContact O-CA 3.38Å; L713-A716 WeakPolarHBondContact O-CB 3.45Å; L713-A716 PolarHBondContact O-N 3.05Å; Q714-A716 PolarHBondContact O-N 2.99Å; A716-L718 PolarHBondContact O-N 3.44Å
717	Q	94.4	Very high	95.8	Very high	135 Å²	135	31.6 Å²	31.6	63%	0.631	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	61	27.2	-177	-56.8	-63.6	-61.2	0	0	113.8	L713 Q714 A715	L713-Q717 PolarHBondContact O-N 2.74Å; Q714-Q717 PolarHBondContact O-N 3.43Å; A715-Q717 VanDerWaalsContact C-N 3.26Å; A715-Q717 PolarHBondContact O-N 3.05Å
718	L	96.1	Very high	95.8	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	18%	0.178	C	C	.	.			trans	-111.1	114.3	168.7	-69.6	173.2	0	0	0	108.5	Y607 V687 V690 R691 L713 Q714 A716 P720	Y607-L718 HydrophobicContact CD1-CD2 4.36Å; Y607-L718 HydrophobicContact CD2-CD2 4.17Å; Y607-L718 HydrophobicContact CE1-CD2 4.2Å; Y607-L718 HydrophobicContact CE2-CD2 4.05Å; Y607-L718 HydrophobicContact CG-CD2 4.37Å; V687-L718 HydrophobicContact CG1-CD1 4.3Å; V690-L718 HydrophobicContact CB-CD1 4.39Å; V690-L718 HydrophobicContact CG1-CD1 4.16Å; R691-L718 HydrophobicContact CG-CD1 3.74Å; R691-L718 HydrophobicContact CG-CD2 4.29Å; R691-L718 HydrophobicContact CG-CG 4.4Å; L713-L718 CarbonylContact C-O 3.55Å; L713-L718 HydrophobicContact CB-CB 4.35Å; L713-L718 WeakPolarHBondContact CB-O 3.42Å; L713-L718 HydrophobicContact CD2-CB 3.98Å; L713-L718 HydrophobicContact CD2-CD1 3.91Å; L713-L718 PolarHBondContact O-N 2.9Å; Q714-L718 PolarHBondContact N-O 2.93Å; A716-L718 PolarHBondContact O-N 3.44Å; L718-P720 WeakPolarHBondContact O-CD 3.19Å
719	H	96.2	Very high	95.8	Very high	21 Å²	21	34.5 Å²	34.5	10%	0.097	17%	0.172	C	C	.	.			trans	-97.7	99.6	-177.7	-65.3	-82.8	0	0	0	111.1	Y607 R609 I791 I793	Y607-H719 PolarHBondContact OH-N 3.22Å; R609-H719 PolarHBondContact NE-O 2.8Å; H719-I791 HydrophobicContact CB-CD1 3.64Å; H719-I793 HydrophobicContact CB-CG2 4.34Å
720	P	97.6	Very high	95.7	Very high	5 Å²	5	36.4 Å²	36.4	3%	0.032	18%	0.182	C	C	.	.			trans	-71.3	162.4	-177.3	31.4	-36.7	0	0	0	112.2	R609 P610 I612 V710 L713 L718	R609-P720 PolarHBondContact NH2-O 2.92Å; P610-P720 HydrophobicContact CB-CB 4.26Å; P610-P720 CarbonylContact O-C 3.55Å; P610-P720 WeakPolarHBondContact O-CA 3.42Å; P610-P720 VanDerWaalsContact O-CB 3.31Å; P610-P720 WeakPolarHBondContact O-CB 3.34Å; I612-P720 HydrophobicContact CD1-CB 4.15Å; I612-P720 HydrophobicContact CD1-CG 4.25Å; I612-P720 HydrophobicContact CG1-CB 4.42Å; V710-P720 HydrophobicContact CB-CG 4.47Å; V710-P720 HydrophobicContact CG1-CG 4.02Å; V710-P720 HydrophobicContact CG2-CG 4.49Å; L713-P720 HydrophobicContact CB-CG 4.32Å; L713-P720 HydrophobicContact CD1-CB 4.07Å; L713-P720 HydrophobicContact CD1-CG 4Å; L718-P720 WeakPolarHBondContact O-CD 3.19Å
721	I	98	Very high	95.5	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	99.9	161	-54.7	169	0	0	0	106.1	R609 P610 I611 I612 I723 V782 Q786	R609-I721 HydrophobicContact CB-CD1 4.03Å; R609-I721 HydrophobicContact CB-CG1 3.9Å; R609-I721 VanDerWaalsContact CZ-CG1 3.48Å; P610-I721 PolarHBondContact O-N 3.05Å; I611-I721 HydrophobicContact CD1-CB 3.71Å; I611-I721 HydrophobicContact CD1-CD1 3.59Å; I611-I721 HydrophobicContact CD1-CG1 4.01Å; I611-I721 HydrophobicContact CD1-CG2 4.48Å; I612-I721 PolarHBondContact N-O 2.98Å; I721-I723 HydrophobicContact CG2-CD1 3.98Å; I721-I723 HydrophobicContact CG2-CG1 3.84Å; I721-V782 HydrophobicContact CG2-CG1 4.31Å; I721-Q786 HydrophobicContact CD1-CB 3.64Å; I721-Q786 HydrophobicContact CG1-CB 3.89Å; I721-Q786 HydrophobicContact CG2-CB 4.07Å; I721-Q786 HydrophobicContact CG2-CG 4.39Å
722	A	97.9	Very high	95.5	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	113.5	179.2	0	0	0	0	0	109.7	I612 V710 C762 S764 A765	I612-A722 CarbonylContact O-C 3.6Å; I612-A722 WeakPolarHBondContact O-CA 3.43Å; V710-A722 HydrophobicContact CG2-CB 3.86Å; A722-C762 WeakPolarHBondContact CB-O 3.43Å; A722-S764 PolarHBondContact N-OG 3.12Å; A722-S764 VanDerWaalsContact N-OG 3.09Å; A722-S764 WeakPolarHBondContact O-CB 3.4Å; A722-S764 PolarHBondContact O-N 2.96Å; A722-A765 PolarHBondContact O-N 2.78Å
723	I	98.4	Very high	95.4	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	120.4	-174.7	-51.2	176.6	0	0	0	108.7	I612 I613 L614 I721 V767 V779 V782 I783	I612-I723 PolarHBondContact O-N 2.89Å; I613-I723 HydrophobicContact CD1-CB 3.85Å; I613-I723 HydrophobicContact CD1-CD1 3.85Å; I613-I723 HydrophobicContact CD1-CG1 4.15Å; L614-I723 PolarHBondContact N-O 3.43Å; I721-I723 HydrophobicContact CG2-CD1 3.98Å; I721-I723 HydrophobicContact CG2-CG1 3.84Å; I723-V767 HydrophobicContact CG2-CB 4.39Å; I723-V767 HydrophobicContact CG2-CG2 3.72Å; I723-V779 HydrophobicContact CD1-CG1 4.02Å; I723-V779 HydrophobicContact CG2-CG2 4.2Å; I723-V782 HydrophobicContact CD1-CB 4.05Å; I723-V782 HydrophobicContact CD1-CG1 3.57Å; I723-V782 HydrophobicContact CG1-CG1 3.84Å; I723-I783 HydrophobicContact CD1-CD1 4.34Å; I723-I783 HydrophobicContact CD1-CG1 3.67Å
724	F	98.1	Very high	95.2	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	121.7	174.7	176.7	-116.5	0	0	0	110.6	L614 R726 A752 L755 E756 F763 A765 V766 V767	L614-F724 HydrophobicContact CB-CD2 4.12Å; F724-R726 HydrophobicContact CD1-CB 4.03Å; F724-R726 HydrophobicContact CE1-CB 3.63Å; F724-R726 HydrophobicContact CE1-CG 3.96Å; F724-R726 HydrophobicContact CZ-CB 4.45Å; F724-R726 PolarHBondContact O-N 3.2Å; F724-A752 HydrophobicContact CE2-CB 4.27Å; F724-A752 HydrophobicContact CZ-CB 4.09Å; F724-A752 WeakPolarHBondContact CZ-O 3.22Å; F724-L755 HydrophobicContact CD2-CD2 4.04Å; F724-L755 HydrophobicContact CE2-CB 4.29Å; F724-L755 HydrophobicContact CE2-CD2 3.95Å; F724-L755 HydrophobicContact CE2-CG 4.42Å; F724-E756 HydrophobicContact CE1-CB 3.73Å; F724-E756 HydrophobicContact CE1-CG 4Å; F724-E756 HydrophobicContact CZ-CB 3.85Å; F724-F763 HydrophobicContact CB-CD1 4.1Å; F724-F763 HydrophobicContact CB-CD2 3.41Å; F724-F763 VanDerWaalsContact CB-CD2 3.41Å; F724-F763 HydrophobicContact CB-CE1 4.18Å; F724-F763 HydrophobicContact CB-CE2 3.46Å; F724-F763 VanDerWaalsContact CB-CE2 3.46Å; F724-F763 HydrophobicContact CB-CG 3.76Å; F724-F763 HydrophobicContact CB-CZ 3.88Å; F724-F763 HydrophobicContact CD1-CD2 4.1Å; F724-F763 AromaticContact CD1-CE2 3.68Å; F724-F763 HydrophobicContact CD1-CE2 3.68Å; F724-F763 HydrophobicContact CD1-CZ 4.46Å; F724-F763 AromaticContact CD2-CE2 3.99Å; F724-F763 HydrophobicContact CD2-CE2 3.99Å; F724-F763 AromaticContact CD2-CZ 3.97Å; F724-F763 HydrophobicContact CD2-CZ 3.97Å; F724-F763 HydrophobicContact CE1-CE2 4.41Å; F724-F763 AromaticContact CG-CD2 3.88Å; F724-F763 HydrophobicContact CG-CD2 3.88Å; F724-F763 AromaticContact CG-CE2 3.43Å; F724-F763 HydrophobicContact CG-CE2 3.43Å; F724-F763 VanDerWaalsContact CG-CE2 3.43Å; F724-F763 AromaticContact CG-CZ 3.85Å; F724-F763 HydrophobicContact CG-CZ 3.85Å; F724-A765 PolarHBondContact N-O 3.21Å; F724-V766 HydrophobicContact CB-CG2 4.41Å; F724-V766 HydrophobicContact CD1-CG1 3.92Å; F724-V766 HydrophobicContact CD1-CG2 4.2Å; F724-V766 CarbonylContact O-C 3.47Å; F724-V766 WeakPolarHBondContact O-CA 3.31Å; F724-V767 PolarHBondContact O-N 3.15Å
725	V	97.6	Very high	95	Very high	1 Å²	1	38 Å²	38	1%	0.006	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	105.5	171.1	-178.5	0	0	0	0	107.8	I613 L614 P616 I621 P727 V767 V775	I613-V725 HydrophobicContact CG2-CG2 4.2Å; L614-V725 PolarHBondContact O-N 2.94Å; P616-V725 VanDerWaalsContact CD-O 3.23Å; P616-V725 WeakPolarHBondContact CD-O 3.45Å; I621-V725 HydrophobicContact CD1-CG2 4.02Å; V725-P727 WeakPolarHBondContact O-CD 3.48Å; V725-V767 CarbonylContact C-O 3.52Å; V725-V767 WeakPolarHBondContact CA-O 3.27Å; V725-V775 HydrophobicContact CG1-CG1 3.75Å; V725-V775 HydrophobicContact CG2-CG1 4.02Å
726	R	95.9	Very high	94.8	Very high	49 Å²	49	34.5 Å²	34.5	19%	0.185	17%	0.17	C	C	.	.			trans	-87.4	120.4	179.7	-174.2	-172.8	-67.3	129.5	-4	109.9	F724 E756 V766 V767 E768	F724-R726 HydrophobicContact CD1-CB 4.03Å; F724-R726 HydrophobicContact CE1-CB 3.63Å; F724-R726 HydrophobicContact CE1-CG 3.96Å; F724-R726 HydrophobicContact CZ-CB 4.45Å; F724-R726 PolarHBondContact O-N 3.2Å; R726-E756 IonicContact CZ-OE1 3.8Å; R726-E756 VanDerWaalsContact NE-CD 3.27Å; R726-E756 IonicContact NE-OE1 2.65Å; R726-E756 PolarHBondContact NE-OE1 3.15Å; R726-E756 IonicContact NE-OE2 2.63Å; R726-E756 PolarHBondContact NE-OE2 2.8Å; R726-E756 VanDerWaalsContact NE-OE2 3.12Å; R726-E756 IonicContact NH2-OE1 3.61Å; R726-E756 PolarHBondContact NH2-OE1 3.16Å; R726-V766 HydrophobicContact CB-CG1 3.62Å; R726-V766 VanDerWaalsContact CZ-CG1 3.47Å; R726-V767 PolarHBondContact N-O 3.37Å; R726-E768 HydrophobicContact CB-CG 3.86Å; R726-E768 VanDerWaalsContact CD-OE1 3.31Å; R726-E768 WeakPolarHBondContact CD-OE1 3.24Å; R726-E768 HydrophobicContact CG-CG 4.45Å; R726-E768 IonicContact CZ-OE1 2.71Å; R726-E768 IonicContact NE-OE1 3.78Å; R726-E768 IonicContact NH1-OE1 3.67Å; R726-E768 PolarHBondContact NH1-OE1 2.85Å
727	P	94.5	Very high	94.5	Very high	10 Å²	10	35.7 Å²	35.7	7%	0.065	17%	0.173	C	C	.	.			trans	-74.8	138.2	171.1	29.6	-32.9	0	0	0	111.5	P616 V725 V733 M749 A752	P616-P727 HydrophobicContact CG-CB 4.21Å; P616-P727 HydrophobicContact CG-CG 4.12Å; V725-P727 WeakPolarHBondContact O-CD 3.48Å; P727-V733 HydrophobicContact CB-CG2 3.45Å; P727-V733 VanDerWaalsContact CB-CG2 3.45Å; P727-V733 HydrophobicContact CG-CG2 4.29Å; P727-M749 HydrophobicContact CB-CE 4.43Å; P727-M749 HydrophobicContact CB-SD 3.58Å; P727-M749 VanDerWaalsContact CB-SD 3.58Å; P727-M749 HydrophobicContact CG-CE 4.12Å; P727-M749 HydrophobicContact CG-SD 3.38Å; P727-M749 WeakPolarHBondContact CG-SD 3.41Å; P727-A752 HydrophobicContact CG-CB 3.65Å
728	K	93.1	Very high	94	Very high	97 Å²	97	35 Å²	35	42%	0.422	18%	0.179	S	C	.	.	S	Bend	trans	-79.5	-37	178.8	-65.9	-179.8	179.6	175.1	0	112.9	N732 E770	K728-N732 HydrophobicContact CB-CB 4.14Å; K728-N732 PolarHBondContact N-OD1 2.97Å; K728-E770 IonicContact NZ-OE1 3.42Å
729	S	94.3	Very high	93.5	Very high	41 Å²	41	45.8 Å²	45.8	29%	0.287	22%	0.219	S	C	.	.	S	Bend	trans	-159.2	175.3	-179.3	78.8	0	0	0	0	110.8	E731 N732 V733	S729-E731 VanDerWaalsContact C-N 3.32Å; S729-E731 VanDerWaalsContact CB-OE2 3.31Å; S729-E731 WeakPolarHBondContact CB-OE2 3.47Å; S729-E731 PolarHBondContact OG-N 3.38Å; S729-E731 PolarHBondContact OG-OE2 2.86Å; S729-N732 PolarHBondContact O-N 3.44Å; S729-N732 PolarHBondContact OG-N 3.39Å; S729-V733 PolarHBondContact O-N 2.85Å
730	L	93.4	Very high	93.2	Very high	39 Å²	39	47.1 Å²	47.1	20%	0.204	23%	0.227	C	C	.	.	H	α-helix	trans	-62	-41.7	173.7	179.4	61.4	0	0	0	111.6	N732 V733 L734 E742 A745 R746	L730-N732 VanDerWaalsContact C-N 3.33Å; L730-N732 PolarHBondContact O-N 2.89Å; L730-V733 PolarHBondContact O-N 3.19Å; L730-L734 PolarHBondContact O-N 2.86Å; L730-E742 HydrophobicContact CD2-CG 4.25Å; L730-A745 HydrophobicContact CD1-CB 3.73Å; L730-R746 HydrophobicContact CD1-CB 4Å; L730-R746 VanDerWaalsContact CD1-N 3.33Å
731	E	93.2	Very high	92.9	Very high	115 Å²	115	50.7 Å²	50.7	54%	0.537	25%	0.249	S	C	.	.	H	α-helix	trans	-61.4	-43.2	176.7	-60.8	74.4	-161.9	0	0	110.7	S729 V733 L734 E735	S729-E731 VanDerWaalsContact C-N 3.32Å; S729-E731 VanDerWaalsContact CB-OE2 3.31Å; S729-E731 WeakPolarHBondContact CB-OE2 3.47Å; S729-E731 PolarHBondContact OG-N 3.38Å; S729-E731 PolarHBondContact OG-OE2 2.86Å; E731-V733 VanDerWaalsContact C-N 3.3Å; E731-V733 PolarHBondContact O-N 3.31Å; E731-L734 CarbonylContact O-C 3.46Å; E731-L734 WeakPolarHBondContact O-CA 3.43Å; E731-L734 WeakPolarHBondContact O-CB 3.49Å; E731-L734 PolarHBondContact O-N 3.39Å; E731-E735 WeakPolarHBondContact O-CG 3.37Å; E731-E735 PolarHBondContact O-N 2.95Å
732	N	93.4	Very high	92.7	Very high	6 Å²	6	56 Å²	56	3%	0.032	27%	0.274	C	S	.	.	H	α-helix	trans	-60.8	-37.5	177.2	177.1	-120.1	0	0	0	112.5	K728 S729 L730 L734 E735 I736 G769	K728-N732 HydrophobicContact CB-CB 4.14Å; K728-N732 PolarHBondContact N-OD1 2.97Å; S729-N732 PolarHBondContact O-N 3.44Å; S729-N732 PolarHBondContact OG-N 3.39Å; L730-N732 VanDerWaalsContact C-N 3.33Å; L730-N732 PolarHBondContact O-N 2.89Å; N732-L734 VanDerWaalsContact C-N 3.31Å; N732-L734 PolarHBondContact O-N 3.13Å; N732-E735 PolarHBondContact O-N 3.34Å; N732-I736 VanDerWaalsContact ND2-CD1 3.35Å; N732-I736 WeakPolarHBondContact ND2-CD1 3.4Å; N732-I736 WeakPolarHBondContact O-CB 3.32Å; N732-I736 VanDerWaalsContact O-CG1 3.22Å; N732-I736 WeakPolarHBondContact O-CG1 3.42Å; N732-I736 PolarHBondContact O-N 2.89Å; N732-I736 WeakPolarHBondContact OD1-CD1 3.47Å; N732-G769 PolarHBondContact ND2-O 3.19Å
733	V	93	Very high	92.5	Very high	2 Å²	2	60.5 Å²	60.5	1%	0.012	30%	0.295	C	S	.	.	H	α-helix	trans	-63.1	-39.9	174.2	176.6	0	0	0	0	111.4	P616 P727 S729 L730 E731 N737 L740 A745 A748 M749	P616-V733 HydrophobicContact CG-CG2 4.47Å; P727-V733 HydrophobicContact CB-CG2 3.45Å; P727-V733 VanDerWaalsContact CB-CG2 3.45Å; P727-V733 HydrophobicContact CG-CG2 4.29Å; S729-V733 PolarHBondContact O-N 2.85Å; L730-V733 PolarHBondContact O-N 3.19Å; E731-V733 VanDerWaalsContact C-N 3.3Å; E731-V733 PolarHBondContact O-N 3.31Å; V733-N737 PolarHBondContact O-N 3.39Å; V733-L740 HydrophobicContact CG1-CD1 4.07Å; V733-A745 HydrophobicContact CB-CB 4.23Å; V733-A745 HydrophobicContact CG1-CB 3.75Å; V733-A748 HydrophobicContact CG1-CB 4.15Å; V733-M749 HydrophobicContact CG2-SD 4.18Å
734	L	91.8	Very high	92.2	Very high	51 Å²	51	65.1 Å²	65.1	27%	0.267	32%	0.316	S	S	.	.	H	α-helix	trans	-69.6	-36.2	177.2	-71.1	166.5	0	0	0	112.2	L730 E731 N732 N737 T738 L740 E742 A745	L730-L734 PolarHBondContact O-N 2.86Å; E731-L734 CarbonylContact O-C 3.46Å; E731-L734 WeakPolarHBondContact O-CA 3.43Å; E731-L734 WeakPolarHBondContact O-CB 3.49Å; E731-L734 PolarHBondContact O-N 3.39Å; N732-L734 VanDerWaalsContact C-N 3.31Å; N732-L734 PolarHBondContact O-N 3.13Å; L734-N737 CarbonylContact O-C 3.57Å; L734-T738 WeakPolarHBondContact O-CA 3.33Å; L734-T738 PolarHBondContact O-N 3.42Å; L734-L740 WeakPolarHBondContact CD2-O 3.23Å; L734-E742 HydrophobicContact CD1-CG 4.39Å; L734-A745 HydrophobicContact CD2-CB 3.61Å; L734-A745 HydrophobicContact CG-CB 3.73Å
735	E	89.8	Confident	92	Very high	124 Å²	124	65.1 Å²	65.1	58%	0.579	32%	0.316	S	S	*	.	H	α-helix	trans	-68.9	-47.1	176.9	-73.6	173.6	170.1	0	0	111.8	E731 N732 N737	E731-E735 WeakPolarHBondContact O-CG 3.37Å; E731-E735 PolarHBondContact O-N 2.95Å; N732-E735 PolarHBondContact O-N 3.34Å; E735-N737 VanDerWaalsContact C-N 3.28Å; E735-N737 PolarHBondContact O-N 2.77Å
736	I	89	Confident	91.8	Very high	8 Å²	8	69.4 Å²	69.4	4%	0.041	33%	0.332	C	S	.	.	H	α-helix	trans	-69.9	-28.7	179.1	-62.4	168	0	0	0	110.8	V617 N732 F772 V775	V617-I736 HydrophobicContact CB-CG2 4.31Å; V617-I736 HydrophobicContact CG1-CG2 3.7Å; V617-I736 HydrophobicContact CG2-CG2 3.68Å; N732-I736 VanDerWaalsContact ND2-CD1 3.35Å; N732-I736 WeakPolarHBondContact ND2-CD1 3.4Å; N732-I736 WeakPolarHBondContact O-CB 3.32Å; N732-I736 VanDerWaalsContact O-CG1 3.22Å; N732-I736 WeakPolarHBondContact O-CG1 3.42Å; N732-I736 PolarHBondContact O-N 2.89Å; N732-I736 WeakPolarHBondContact OD1-CD1 3.47Å; I736-F772 HydrophobicContact CG2-CB 4.16Å; I736-F772 HydrophobicContact CG2-CD2 4.41Å; I736-V775 HydrophobicContact CD1-CG2 4.2Å
737	N	88.3	Confident	91.7	Very high	44 Å²	44	72.6 Å²	72.6	24%	0.235	35%	0.347	C	S	.	.			trans	-131.8	84.5	176.5	-166	-13.8	0	0	0	112.5	V617 V733 L734 E735 R739 L740	V617-N737 HydrophobicContact CG1-CB 3.72Å; V733-N737 PolarHBondContact O-N 3.39Å; L734-N737 CarbonylContact O-C 3.57Å; E735-N737 VanDerWaalsContact C-N 3.28Å; E735-N737 PolarHBondContact O-N 2.77Å; N737-R739 PolarHBondContact O-N 3.01Å; N737-R739 PolarHBondContact OD1-N 3.05Å; N737-L740 HydrophobicContact CB-CD1 3.84Å; N737-L740 HydrophobicContact CB-CG 4.03Å; N737-L740 PolarHBondContact O-N 3.18Å
738	T	84.4	Confident	91.6	Very high	122 Å²	122	72.6 Å²	72.6	75%	0.748	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-8.8	-177.8	58.7	0	0	0	0	115	L734	L734-T738 WeakPolarHBondContact O-CA 3.33Å; L734-T738 PolarHBondContact O-N 3.42Å
739	R	86.3	Confident	91.7	Very high	226 Å²	226	69.4 Å²	69.4	85%	0.853	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-9	179.6	-60.1	-177.2	-176.8	-178.5	2.5	113.5	N737	N737-R739 PolarHBondContact O-N 3.01Å; N737-R739 PolarHBondContact OD1-N 3.05Å
740	L	88.5	Confident	91.7	Very high	50 Å²	50	72 Å²	72	26%	0.262	35%	0.346	S	S	.	.	S	Bend	trans	-84.7	144.5	-177.5	-64.2	179.3	0	0	0	112	V733 L734 N737 Q744	V733-L740 HydrophobicContact CG1-CD1 4.07Å; L734-L740 WeakPolarHBondContact CD2-O 3.23Å; N737-L740 HydrophobicContact CB-CD1 3.84Å; N737-L740 HydrophobicContact CB-CG 4.03Å; N737-L740 PolarHBondContact O-N 3.18Å; L740-Q744 HydrophobicContact CB-CB 4.33Å; L740-Q744 HydrophobicContact CD2-CB 4.12Å
741	T	92.8	Very high	91.7	Very high	79 Å²	79	78 Å²	78	49%	0.485	37%	0.366	S	S	.	.			trans	-75.5	157.7	162.6	68.4	0	0	0	0	110.4	E743 Q744 A745	T741-E743 PolarHBondContact O-N 2.81Å; T741-Q744 WeakPolarHBondContact O-CB 3.27Å; T741-Q744 PolarHBondContact O-N 3.36Å; T741-Q744 VanDerWaalsContact OG1-CG 3.31Å; T741-Q744 WeakPolarHBondContact OG1-CG 3.02Å; T741-Q744 PolarHBondContact OG1-N 3.04Å; T741-Q744 PolarHBondContact OG1-OE1 2.89Å; T741-A745 PolarHBondContact O-N 3.32Å
742	E	92.6	Very high	91.8	Very high	113 Å²	113	72.6 Å²	72.6	53%	0.528	34%	0.341	S	S	.	.	H	α-helix	trans	-55.1	-39.5	178.2	-164.5	-166	142.3	0	0	112.6	L730 L734 A745 R746	L730-E742 HydrophobicContact CD2-CG 4.25Å; L734-E742 HydrophobicContact CD1-CG 4.39Å; E742-A745 PolarHBondContact O-N 3.48Å; E742-R746 PolarHBondContact O-N 2.89Å; E742-R746 IonicContact OE1-NH2 3.38Å; E742-R746 PolarHBondContact OE1-NH2 2.93Å
743	E	93.6	Very high	91.8	Very high	94 Å²	94	76.5 Å²	76.5	44%	0.439	36%	0.361	S	S	.	.	H	α-helix	trans	-63.8	-41.2	176	-177.8	60.4	-154.3	0	0	112.3	T741 R746 K747	T741-E743 PolarHBondContact O-N 2.81Å; E743-R746 PolarHBondContact O-N 2.67Å; E743-R746 IonicContact OE2-CZ 3.27Å; E743-R746 IonicContact OE2-NH1 2.7Å; E743-R746 PolarHBondContact OE2-NH1 3.17Å; E743-K747 WeakPolarHBondContact O-CG 3.22Å; E743-K747 PolarHBondContact O-N 2.82Å; E743-K747 VanDerWaalsContact O-N 3.14Å; E743-K747 WeakPolarHBondContact OE1-CE 3.29Å; E743-K747 IonicContact OE1-NZ 2.96Å
744	Q	92.4	Very high	91.8	Very high	97 Å²	97	82.7 Å²	82.7	45%	0.453	39%	0.388	S	S	.	.	H	α-helix	trans	-68.8	-38.7	176.3	-70.6	169.9	-33.9	0	0	111.5	L740 T741 K747 A748	L740-Q744 HydrophobicContact CB-CB 4.33Å; L740-Q744 HydrophobicContact CD2-CB 4.12Å; T741-Q744 WeakPolarHBondContact O-CB 3.27Å; T741-Q744 PolarHBondContact O-N 3.36Å; T741-Q744 VanDerWaalsContact OG1-CG 3.31Å; T741-Q744 WeakPolarHBondContact OG1-CG 3.02Å; T741-Q744 PolarHBondContact OG1-N 3.04Å; T741-Q744 PolarHBondContact OG1-OE1 2.89Å; Q744-K747 PolarHBondContact O-N 3.46Å; Q744-A748 WeakPolarHBondContact O-CB 3.15Å; Q744-A748 PolarHBondContact O-N 2.87Å
745	A	93.4	Very high	91.9	Very high	0 Å²	0	81.9 Å²	81.9	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-63.2	-41.4	175.6	0	0	0	0	0	111.4	L730 V733 L734 T741 E742 A748 M749	L730-A745 HydrophobicContact CD1-CB 3.73Å; V733-A745 HydrophobicContact CB-CB 4.23Å; V733-A745 HydrophobicContact CG1-CB 3.75Å; L734-A745 HydrophobicContact CD2-CB 3.61Å; L734-A745 HydrophobicContact CG-CB 3.73Å; T741-A745 PolarHBondContact O-N 3.32Å; E742-A745 PolarHBondContact O-N 3.48Å; A745-A748 WeakPolarHBondContact O-CB 3.39Å; A745-A748 PolarHBondContact O-N 2.84Å; A745-A748 VanDerWaalsContact O-N 3.14Å; A745-M749 PolarHBondContact O-N 3.21Å
746	R	94.9	Very high	92.1	Very high	90 Å²	90	77.9 Å²	77.9	34%	0.34	37%	0.365	S	S	.	.	H	α-helix	trans	-61.9	-45.9	175.5	-160.6	177.9	-50.3	106.6	4.2	111.9	L730 E742 E743 A748 M749 D750	L730-R746 HydrophobicContact CD1-CB 4Å; L730-R746 VanDerWaalsContact CD1-N 3.33Å; E742-R746 PolarHBondContact O-N 2.89Å; E742-R746 IonicContact OE1-NH2 3.38Å; E742-R746 PolarHBondContact OE1-NH2 2.93Å; E743-R746 PolarHBondContact O-N 2.67Å; E743-R746 IonicContact OE2-CZ 3.27Å; E743-R746 IonicContact OE2-NH1 2.7Å; E743-R746 PolarHBondContact OE2-NH1 3.17Å; R746-A748 VanDerWaalsContact C-N 3.28Å; R746-A748 PolarHBondContact O-N 3.4Å; R746-M749 WeakPolarHBondContact O-CB 3.23Å; R746-M749 PolarHBondContact O-N 2.89Å; R746-D750 PolarHBondContact O-N 2.95Å
747	K	93.8	Very high	92.1	Very high	116 Å²	116	83.1 Å²	83.1	50%	0.504	39%	0.389	S	S	.	.	H	α-helix	trans	-63	-33.2	173.6	-70.4	178.8	-176.1	175.7	0	113	E743 Q744 R751	E743-K747 WeakPolarHBondContact O-CG 3.22Å; E743-K747 PolarHBondContact O-N 2.82Å; E743-K747 VanDerWaalsContact O-N 3.14Å; E743-K747 WeakPolarHBondContact OE1-CE 3.29Å; E743-K747 IonicContact OE1-NZ 2.96Å; Q744-K747 PolarHBondContact O-N 3.46Å; K747-R751 WeakPolarHBondContact O-CB 3.37Å; K747-R751 VanDerWaalsContact O-CG 3.24Å; K747-R751 WeakPolarHBondContact O-CG 3.35Å; K747-R751 PolarHBondContact O-N 2.85Å; K747-R751 VanDerWaalsContact O-N 3.13Å; K747-R751 PolarHBondContact O-NE 3.5Å
748	A	92.5	Very high	92.2	Very high	10 Å²	10	84.6 Å²	84.6	8%	0.083	40%	0.397	C	S	.	.	H	α-helix	trans	-69	-41.7	174.6	0	0	0	0	0	111.3	V733 Q744 A745 R746 R751 A752	V733-A748 HydrophobicContact CG1-CB 4.15Å; Q744-A748 WeakPolarHBondContact O-CB 3.15Å; Q744-A748 PolarHBondContact O-N 2.87Å; A745-A748 WeakPolarHBondContact O-CB 3.39Å; A745-A748 PolarHBondContact O-N 2.84Å; A745-A748 VanDerWaalsContact O-N 3.14Å; R746-A748 VanDerWaalsContact C-N 3.28Å; R746-A748 PolarHBondContact O-N 3.4Å; A748-R751 PolarHBondContact O-N 3.48Å; A748-A752 WeakPolarHBondContact O-CB 3.47Å; A748-A752 PolarHBondContact O-N 2.85Å
749	M	94.1	Very high	92.6	Very high	30 Å²	30	80.2 Å²	80.2	15%	0.148	37%	0.368	C	S	.	.	H	α-helix	trans	-59.7	-51.1	173.7	-170.9	74.2	-171.6	0	0	111.4	P727 V733 A745 R746 R751 A752 L753	P727-M749 HydrophobicContact CB-CE 4.43Å; P727-M749 HydrophobicContact CB-SD 3.58Å; P727-M749 VanDerWaalsContact CB-SD 3.58Å; P727-M749 HydrophobicContact CG-CE 4.12Å; P727-M749 HydrophobicContact CG-SD 3.38Å; P727-M749 WeakPolarHBondContact CG-SD 3.41Å; V733-M749 HydrophobicContact CG2-SD 4.18Å; A745-M749 PolarHBondContact O-N 3.21Å; R746-M749 WeakPolarHBondContact O-CB 3.23Å; R746-M749 PolarHBondContact O-N 2.89Å; M749-R751 VanDerWaalsContact C-N 3.3Å; M749-R751 PolarHBondContact O-N 3.37Å; M749-A752 WeakPolarHBondContact O-CB 3.19Å; M749-A752 PolarHBondContact O-N 2.97Å; M749-A752 VanDerWaalsContact O-N 3.09Å; M749-L753 HydrophobicContact CE-CD1 4.46Å; M749-L753 HydrophobicContact CE-CD2 4.34Å; M749-L753 HydrophobicContact CE-CG 4.4Å; M749-L753 HydrophobicContact CG-CD1 4.37Å; M749-L753 WeakPolarHBondContact O-CG 3.38Å; M749-L753 PolarHBondContact O-N 2.94Å
750	D	94.1	Very high	92.9	Very high	95 Å²	95	70.1 Å²	70.1	51%	0.508	33%	0.331	S	S	.	.	H	α-helix	trans	-60.7	-40.4	180	-67.6	-22.7	0	0	0	111.9	R746 K754	R746-D750 PolarHBondContact O-N 2.95Å; D750-K754 WeakPolarHBondContact O-CB 3.24Å; D750-K754 PolarHBondContact O-N 3.45Å
751	R	93.6	Very high	93	Very high	166 Å²	166	71.7 Å²	71.7	63%	0.626	34%	0.337	S	S	*	.	H	α-helix	trans	-64.5	-41.2	174.6	-76.9	-174	-63.1	168.1	3.2	112	K747 A748 M749 K754 L755	K747-R751 WeakPolarHBondContact O-CB 3.37Å; K747-R751 VanDerWaalsContact O-CG 3.24Å; K747-R751 WeakPolarHBondContact O-CG 3.35Å; K747-R751 PolarHBondContact O-N 2.85Å; K747-R751 VanDerWaalsContact O-N 3.13Å; K747-R751 PolarHBondContact O-NE 3.5Å; A748-R751 PolarHBondContact O-N 3.48Å; M749-R751 VanDerWaalsContact C-N 3.3Å; M749-R751 PolarHBondContact O-N 3.37Å; R751-K754 PolarHBondContact O-N 3.43Å; R751-L755 VanDerWaalsContact O-CB 3.28Å; R751-L755 WeakPolarHBondContact O-CB 3.47Å; R751-L755 PolarHBondContact O-N 2.7Å
752	A	95.1	Very high	93	Very high	2 Å²	2	68.2 Å²	68.2	2%	0.017	32%	0.316	C	S	.	.	H	α-helix	trans	-65.2	-44.8	177.9	0	0	0	0	0	111.5	F724 P727 A748 M749 K754 L755 E756	F724-A752 HydrophobicContact CE2-CB 4.27Å; F724-A752 HydrophobicContact CZ-CB 4.09Å; F724-A752 WeakPolarHBondContact CZ-O 3.22Å; P727-A752 HydrophobicContact CG-CB 3.65Å; A748-A752 WeakPolarHBondContact O-CB 3.47Å; A748-A752 PolarHBondContact O-N 2.85Å; M749-A752 WeakPolarHBondContact O-CB 3.19Å; M749-A752 PolarHBondContact O-N 2.97Å; M749-A752 VanDerWaalsContact O-N 3.09Å; A752-K754 VanDerWaalsContact C-N 3.34Å; A752-K754 PolarHBondContact O-N 2.79Å; A752-L755 PolarHBondContact O-N 2.85Å; A752-E756 WeakPolarHBondContact O-CB 3.31Å; A752-E756 PolarHBondContact O-N 2.97Å
753	L	93.3	Very high	93.1	Very high	88 Å²	88	62.8 Å²	62.8	46%	0.461	29%	0.29	S	S	.	.	H	α-helix	trans	-59.8	-43.6	176.4	-70.8	173.9	0	0	0	112.1	M749 Q757	M749-L753 HydrophobicContact CE-CD1 4.46Å; M749-L753 HydrophobicContact CE-CD2 4.34Å; M749-L753 HydrophobicContact CE-CG 4.4Å; M749-L753 HydrophobicContact CG-CD1 4.37Å; M749-L753 WeakPolarHBondContact O-CG 3.38Å; M749-L753 PolarHBondContact O-N 2.94Å; L753-Q757 WeakPolarHBondContact O-CB 3.41Å; L753-Q757 PolarHBondContact O-N 2.93Å
754	K	93.5	Very high	93.2	Very high	131 Å²	131	58.8 Å²	58.8	57%	0.57	27%	0.273	S	S	*	.	H	α-helix	trans	-65.5	-42.1	176	-173.2	174.2	-176.9	179.4	0	112	D750 R751 A752 E756 Q757 D758	D750-K754 WeakPolarHBondContact O-CB 3.24Å; D750-K754 PolarHBondContact O-N 3.45Å; R751-K754 PolarHBondContact O-N 3.43Å; A752-K754 VanDerWaalsContact C-N 3.34Å; A752-K754 PolarHBondContact O-N 2.79Å; K754-E756 VanDerWaalsContact C-N 3.33Å; K754-E756 PolarHBondContact O-N 3.28Å; K754-Q757 PolarHBondContact O-N 3.04Å; K754-D758 WeakPolarHBondContact CE-OD2 3.35Å; K754-D758 WeakPolarHBondContact CG-OD2 3.39Å; K754-D758 WeakPolarHBondContact O-CB 3.33Å; K754-D758 PolarHBondContact O-N 3.19Å
755	L	94.4	Very high	93.3	Very high	35 Å²	35	54.8 Å²	54.8	18%	0.183	26%	0.256	C	S	.	.	H	α-helix	trans	-62.4	-43.2	179.2	-167.2	66.8	0	0	0	111.4	L614 A707 F724 R751 A752 F759 F763	L614-L755 HydrophobicContact CB-CD2 3.73Å; L614-L755 HydrophobicContact CD1-CD2 4.44Å; L614-L755 HydrophobicContact CD2-CD2 4.26Å; L614-L755 HydrophobicContact CG-CD2 4.35Å; A707-L755 HydrophobicContact CB-CD1 3.85Å; F724-L755 HydrophobicContact CD2-CD2 4.04Å; F724-L755 HydrophobicContact CE2-CB 4.29Å; F724-L755 HydrophobicContact CE2-CD2 3.95Å; F724-L755 HydrophobicContact CE2-CG 4.42Å; R751-L755 VanDerWaalsContact O-CB 3.28Å; R751-L755 WeakPolarHBondContact O-CB 3.47Å; R751-L755 PolarHBondContact O-N 2.7Å; A752-L755 PolarHBondContact O-N 2.85Å; L755-F759 HydrophobicContact CD1-CD2 3.84Å; L755-F759 HydrophobicContact CD1-CE2 4.34Å; L755-F759 WeakPolarHBondContact O-CB 3.49Å; L755-F759 PolarHBondContact O-N 3.05Å; L755-F763 HydrophobicContact CG-CZ 4.25Å
756	E	93.4	Very high	93.5	Very high	39 Å²	39	56.2 Å²	56.2	18%	0.182	27%	0.265	C	S	.	.	H	α-helix	trans	-60.9	-50.9	173.7	-173	174.8	-178.6	0	0	111.2	F724 R726 A752 K754 D758 I760	F724-E756 HydrophobicContact CE1-CB 3.73Å; F724-E756 HydrophobicContact CE1-CG 4Å; F724-E756 HydrophobicContact CZ-CB 3.85Å; R726-E756 IonicContact CZ-OE1 3.8Å; R726-E756 VanDerWaalsContact NE-CD 3.27Å; R726-E756 IonicContact NE-OE1 2.65Å; R726-E756 PolarHBondContact NE-OE1 3.15Å; R726-E756 IonicContact NE-OE2 2.63Å; R726-E756 PolarHBondContact NE-OE2 2.8Å; R726-E756 VanDerWaalsContact NE-OE2 3.12Å; R726-E756 IonicContact NH2-OE1 3.61Å; R726-E756 PolarHBondContact NH2-OE1 3.16Å; A752-E756 WeakPolarHBondContact O-CB 3.31Å; A752-E756 PolarHBondContact O-N 2.97Å; K754-E756 VanDerWaalsContact C-N 3.33Å; K754-E756 PolarHBondContact O-N 3.28Å; E756-D758 VanDerWaalsContact C-N 3.31Å; E756-D758 PolarHBondContact O-N 3.32Å; E756-I760 HydrophobicContact CG-CD1 4.41Å; E756-I760 VanDerWaalsContact O-CB 3.23Å; E756-I760 WeakPolarHBondContact O-CB 3.23Å; E756-I760 PolarHBondContact O-N 2.84Å
757	Q	88.6	Confident	93.5	Very high	118 Å²	118	52.2 Å²	52.2	55%	0.551	25%	0.251	S	S	*	.	H	α-helix	trans	-57.4	-41.9	179.6	177.6	169.6	42.3	0	0	113.3	L753 K754	L753-Q757 WeakPolarHBondContact O-CB 3.41Å; L753-Q757 PolarHBondContact O-N 2.93Å; K754-Q757 PolarHBondContact O-N 3.04Å
758	D	90.9	Very high	93.6	Very high	76 Å²	76	50 Å²	50	41%	0.406	24%	0.242	S	C	.	.	H	α-helix	trans	-87.5	-23.7	-171.7	-70.8	-18.1	0	0	0	113.2	K754 E756	K754-D758 WeakPolarHBondContact CE-OD2 3.35Å; K754-D758 WeakPolarHBondContact CG-OD2 3.39Å; K754-D758 WeakPolarHBondContact O-CB 3.33Å; K754-D758 PolarHBondContact O-N 3.19Å; E756-D758 VanDerWaalsContact C-N 3.31Å; E756-D758 PolarHBondContact O-N 3.32Å
759	F	93.1	Very high	93.6	Very high	29 Å²	29	49.5 Å²	49.5	13%	0.127	24%	0.238	C	C	.	.	H	α-helix	trans	-134.8	11.9	-167.4	-62.6	-87.1	0	0	0	115.5	A707 N708 L755 E761 C762 F763	A707-F759 HydrophobicContact CB-CB 3.83Å; A707-F759 HydrophobicContact CB-CD1 3.51Å; A707-F759 HydrophobicContact CB-CD2 3.87Å; A707-F759 HydrophobicContact CB-CE1 3.97Å; A707-F759 HydrophobicContact CB-CE2 4.3Å; A707-F759 HydrophobicContact CB-CG 3.45Å; A707-F759 VanDerWaalsContact CB-CG 3.45Å; A707-F759 HydrophobicContact CB-CZ 4.34Å; N708-F759 VanDerWaalsContact OD1-CE1 3.29Å; N708-F759 WeakPolarHBondContact OD1-CE1 3.22Å; N708-F759 WeakPolarHBondContact OD1-CZ 3.33Å; L755-F759 HydrophobicContact CD1-CD2 3.84Å; L755-F759 HydrophobicContact CD1-CE2 4.34Å; L755-F759 WeakPolarHBondContact O-CB 3.49Å; L755-F759 PolarHBondContact O-N 3.05Å; F759-E761 PolarHBondContact O-N 3.29Å; F759-E761 VanDerWaalsContact O-N 3.1Å; F759-C762 HydrophobicContact CB-CB 4.39Å; F759-C762 WeakPolarHBondContact O-CA 3.33Å; F759-C762 VanDerWaalsContact O-CB 3.24Å; F759-C762 WeakPolarHBondContact O-CB 3.39Å; F759-C762 PolarHBondContact O-N 3Å; F759-F763 HydrophobicContact CB-CE1 3.87Å; F759-F763 HydrophobicContact CB-CZ 4Å; F759-F763 WeakPolarHBondContact O-CE1 3.1Å
760	I	91.3	Very high	93.5	Very high	14 Å²	14	54.3 Å²	54.3	7%	0.072	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-50.7	-38.5	-178.9	-170.9	163.8	0	0	0	114.3	F527 H595 E756 C762 F763	F527-I760 HydrophobicContact CD2-CD1 4.48Å; F527-I760 HydrophobicContact CD2-CG1 4.44Å; F527-I760 HydrophobicContact CE2-CD1 3.99Å; F527-I760 HydrophobicContact CE2-CG1 3.51Å; F527-I760 HydrophobicContact CZ-CG1 4.04Å; F527-I760 WeakPolarHBondContact CZ-O 3.3Å; H595-I760 WeakPolarHBondContact CE1-CG2 3.4Å; H595-I760 VanDerWaalsContact ND1-CG2 3.32Å; H595-I760 WeakPolarHBondContact ND1-CG2 3.3Å; H595-I760 WeakPolarHBondContact NE2-CG2 3.45Å; E756-I760 HydrophobicContact CG-CD1 4.41Å; E756-I760 VanDerWaalsContact O-CB 3.23Å; E756-I760 WeakPolarHBondContact O-CB 3.23Å; E756-I760 PolarHBondContact O-N 2.84Å; I760-C762 PolarHBondContact O-N 3.4Å; I760-F763 PolarHBondContact O-N 3.03Å; I760-F763 VanDerWaalsContact O-N 3.17Å
761	E	90.7	Very high	93.5	Very high	83 Å²	83	51.9 Å²	51.9	39%	0.388	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-64.6	-23.5	176.9	62.3	-177.5	-161.1	0	0	113.8	R505 R711 F759 F763	R505-E761 PolarHBondContact NH2-O 3.13Å; R711-E761 IonicContact CZ-OE1 2.81Å; R711-E761 IonicContact NE-OE1 3.39Å; R711-E761 IonicContact NH2-OE1 3.66Å; R711-E761 PolarHBondContact NH2-OE1 3.48Å; F759-E761 PolarHBondContact O-N 3.29Å; F759-E761 VanDerWaalsContact O-N 3.1Å; E761-F763 VanDerWaalsContact C-N 3.32Å
762	C	93.1	Very high	93.5	Very high	6 Å²	6	44.4 Å²	44.4	4%	0.041	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-79.2	-18.8	178.7	-63.2	0	0	0	0	111.9	V710 A722 F759 I760	V710-C762 HydrophobicContact CB-CB 4.15Å; V710-C762 HydrophobicContact CG1-CB 3.93Å; V710-C762 HydrophobicContact CG2-CB 4.38Å; A722-C762 WeakPolarHBondContact CB-O 3.43Å; F759-C762 HydrophobicContact CB-CB 4.39Å; F759-C762 WeakPolarHBondContact O-CA 3.33Å; F759-C762 VanDerWaalsContact O-CB 3.24Å; F759-C762 WeakPolarHBondContact O-CB 3.39Å; F759-C762 PolarHBondContact O-N 3Å; I760-C762 PolarHBondContact O-N 3.4Å
763	F	95.4	Very high	93.5	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.248	C	C	.	.			trans	-76.8	138.9	-175.7	-52.4	-24.5	0	0	0	110.9	R505 F527 L614 F724 L755 F759 I760 E761 V766	R505-F763 PolarHBondContact NH1-O 3.11Å; R505-F763 VanDerWaalsContact NH1-O 3.15Å; F527-F763 HydrophobicContact CE1-CB 4.07Å; F527-F763 HydrophobicContact CZ-CB 4.09Å; L614-F763 HydrophobicContact CD1-CD1 3.95Å; L614-F763 HydrophobicContact CD1-CE1 3.45Å; L614-F763 VanDerWaalsContact CD1-CE1 3.45Å; L614-F763 HydrophobicContact CD1-CZ 4.41Å; F724-F763 HydrophobicContact CB-CD1 4.1Å; F724-F763 HydrophobicContact CB-CD2 3.41Å; F724-F763 VanDerWaalsContact CB-CD2 3.41Å; F724-F763 HydrophobicContact CB-CE1 4.18Å; F724-F763 HydrophobicContact CB-CE2 3.46Å; F724-F763 VanDerWaalsContact CB-CE2 3.46Å; F724-F763 HydrophobicContact CB-CG 3.76Å; F724-F763 HydrophobicContact CB-CZ 3.88Å; F724-F763 HydrophobicContact CD1-CD2 4.1Å; F724-F763 AromaticContact CD1-CE2 3.68Å; F724-F763 HydrophobicContact CD1-CE2 3.68Å; F724-F763 HydrophobicContact CD1-CZ 4.46Å; F724-F763 AromaticContact CD2-CE2 3.99Å; F724-F763 HydrophobicContact CD2-CE2 3.99Å; F724-F763 AromaticContact CD2-CZ 3.97Å; F724-F763 HydrophobicContact CD2-CZ 3.97Å; F724-F763 HydrophobicContact CE1-CE2 4.41Å; F724-F763 AromaticContact CG-CD2 3.88Å; F724-F763 HydrophobicContact CG-CD2 3.88Å; F724-F763 AromaticContact CG-CE2 3.43Å; F724-F763 HydrophobicContact CG-CE2 3.43Å; F724-F763 VanDerWaalsContact CG-CE2 3.43Å; F724-F763 AromaticContact CG-CZ 3.85Å; F724-F763 HydrophobicContact CG-CZ 3.85Å; L755-F763 HydrophobicContact CG-CZ 4.25Å; F759-F763 HydrophobicContact CB-CE1 3.87Å; F759-F763 HydrophobicContact CB-CZ 4Å; F759-F763 WeakPolarHBondContact O-CE1 3.1Å; I760-F763 PolarHBondContact O-N 3.03Å; I760-F763 VanDerWaalsContact O-N 3.17Å; E761-F763 VanDerWaalsContact C-N 3.32Å; F763-V766 HydrophobicContact CD2-CG2 4.16Å
764	S	94.6	Very high	93.7	Very high	10 Å²	10	49 Å²	49	7%	0.07	24%	0.241	C	C	.	.	S	Bend	trans	-80.9	-36.8	168.1	-53.7	0	0	0	0	110.7	A722	A722-S764 PolarHBondContact N-OG 3.12Å; A722-S764 VanDerWaalsContact N-OG 3.09Å; A722-S764 WeakPolarHBondContact O-CB 3.4Å; A722-S764 PolarHBondContact O-N 2.96Å
765	A	95.5	Very high	93.8	Very high	13 Å²	13	42.8 Å²	42.8	11%	0.107	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	157.3	178.6	0	0	0	0	0	111.4	A722 F724 V782	A722-A765 PolarHBondContact O-N 2.78Å; F724-A765 PolarHBondContact N-O 3.21Å; A765-V782 HydrophobicContact CB-CB 4.45Å; A765-V782 HydrophobicContact CB-CG1 3.55Å; A765-V782 HydrophobicContact CB-CG2 3.98Å
766	V	96.6	Very high	94	Very high	30 Å²	30	41.8 Å²	41.8	18%	0.182	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	127.8	168.9	-179.4	0	0	0	0	109.2	F527 F724 R726 F763	F527-V766 HydrophobicContact CD1-CB 4.24Å; F527-V766 HydrophobicContact CD1-CG2 3.68Å; F527-V766 HydrophobicContact CD2-CG2 4.38Å; F527-V766 HydrophobicContact CE1-CG2 3.8Å; F527-V766 HydrophobicContact CE2-CG2 4.5Å; F527-V766 HydrophobicContact CG-CG2 4.01Å; F527-V766 HydrophobicContact CZ-CG2 4.23Å; F724-V766 HydrophobicContact CB-CG2 4.41Å; F724-V766 HydrophobicContact CD1-CG1 3.92Å; F724-V766 HydrophobicContact CD1-CG2 4.2Å; F724-V766 CarbonylContact O-C 3.47Å; F724-V766 WeakPolarHBondContact O-CA 3.31Å; R726-V766 HydrophobicContact CB-CG1 3.62Å; R726-V766 VanDerWaalsContact CZ-CG1 3.47Å; F763-V766 HydrophobicContact CD2-CG2 4.16Å
767	V	96.4	Very high	94.2	Very high	6 Å²	6	45.7 Å²	45.7	4%	0.036	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	132.7	-178.8	172.6	0	0	0	0	109.8	I723 F724 V725 R726 V775 K778 V779 V782	I723-V767 HydrophobicContact CG2-CB 4.39Å; I723-V767 HydrophobicContact CG2-CG2 3.72Å; F724-V767 PolarHBondContact O-N 3.15Å; V725-V767 CarbonylContact C-O 3.52Å; V725-V767 WeakPolarHBondContact CA-O 3.27Å; R726-V767 PolarHBondContact N-O 3.37Å; V767-V775 HydrophobicContact CG1-CG1 4.14Å; V767-K778 HydrophobicContact CG1-CB 3.58Å; V767-K778 HydrophobicContact CG1-CD 4.11Å; V767-K778 HydrophobicContact CG2-CB 4.3Å; V767-V779 HydrophobicContact CG1-CG2 4.35Å; V767-V779 HydrophobicContact CG2-CG2 4.33Å; V767-V782 HydrophobicContact CG2-CG2 4.04Å
768	E	94.7	Very high	94.6	Very high	68 Å²	68	43.6 Å²	43.6	32%	0.318	22%	0.215	S	C	.	.			trans	-126.7	146.4	173.2	-68.3	176.1	-161	0	0	109.6	R726 K778	R726-E768 HydrophobicContact CB-CG 3.86Å; R726-E768 VanDerWaalsContact CD-OE1 3.31Å; R726-E768 WeakPolarHBondContact CD-OE1 3.24Å; R726-E768 HydrophobicContact CG-CG 4.45Å; R726-E768 IonicContact CZ-OE1 2.71Å; R726-E768 IonicContact NE-OE1 3.78Å; R726-E768 IonicContact NH1-OE1 3.67Å; R726-E768 PolarHBondContact NH1-OE1 2.85Å; E768-K778 WeakPolarHBondContact O-CD 3.37Å; E768-K778 PolarHBondContact O-NZ 3.08Å
769	G	93.5	Very high	94.9	Very high	1 Å²	1	40 Å²	40	1%	0.01	20%	0.196	C	C	.	.			trans	-159.5	162.9	176	0	0	0	0	0	111.8	N732 E774	N732-G769 PolarHBondContact ND2-O 3.19Å; G769-E774 WeakPolarHBondContact CA-OE2 3.12Å
770	E	91.8	Very high	95.1	Very high	130 Å²	130	41.4 Å²	41.4	61%	0.607	20%	0.202	S	C	*	.	S	Bend	trans	-88	-28.1	176.1	-61.5	-173.6	172.3	0	0	111.7	K728 E774	K728-E770 IonicContact NZ-OE1 3.42Å; E770-E774 PolarHBondContact N-OE2 3.5Å
771	S	93.6	Very high	95.4	Very high	44 Å²	44	43 Å²	43	31%	0.308	21%	0.212	S	C	.	.	S	Bend	trans	-126.1	163.5	178.7	61.9	0	0	0	0	111.9	E773 E774 V775	S771-E773 VanDerWaalsContact C-N 3.29Å; S771-E773 PolarHBondContact O-N 3.02Å; S771-E774 PolarHBondContact O-N 3.3Å; S771-E774 WeakPolarHBondContact OG-CB 3.46Å; S771-E774 PolarHBondContact OG-N 3.15Å; S771-V775 WeakPolarHBondContact O-CG2 3.49Å; S771-V775 PolarHBondContact O-N 2.77Å; S771-V775 VanDerWaalsContact O-N 3.13Å
772	F	94.4	Very high	95.6	Very high	9 Å²	9	40 Å²	40	4%	0.039	20%	0.2	C	C	.	.	H	α-helix	trans	-60.5	-41.4	173.3	173.9	-96.1	0	0	0	111.6	V617 R620 I621 D624 I736 E774 V775 Y776	V617-F772 HydrophobicContact CB-CD2 4.15Å; V617-F772 HydrophobicContact CB-CE2 4.22Å; V617-F772 HydrophobicContact CG1-CD2 4.4Å; V617-F772 HydrophobicContact CG2-CD2 4.08Å; V617-F772 HydrophobicContact CG2-CE2 4.3Å; R620-F772 HydrophobicContact CB-CE2 4.04Å; R620-F772 HydrophobicContact CB-CZ 4.27Å; R620-F772 VanDerWaalsContact CD-CE2 3.48Å; R620-F772 VanDerWaalsContact CD-CZ 3.45Å; R620-F772 HydrophobicContact CG-CE1 4.35Å; R620-F772 HydrophobicContact CG-CE2 3.76Å; R620-F772 HydrophobicContact CG-CZ 3.56Å; R620-F772 VanDerWaalsContact NE-CE1 3.3Å; R620-F772 VanDerWaalsContact NH1-CD1 3.35Å; I621-F772 HydrophobicContact CG1-CE2 3.85Å; I621-F772 HydrophobicContact CG1-CZ 4.29Å; D624-F772 WeakPolarHBondContact OD2-CZ 3.44Å; I736-F772 HydrophobicContact CG2-CB 4.16Å; I736-F772 HydrophobicContact CG2-CD2 4.41Å; F772-E774 VanDerWaalsContact C-N 3.33Å; F772-E774 PolarHBondContact O-N 3.09Å; F772-V775 PolarHBondContact O-N 2.56Å; F772-Y776 HydrophobicContact CE1-CG 4.35Å; F772-Y776 HydrophobicContact CZ-CD2 4.33Å; F772-Y776 HydrophobicContact CZ-CG 4.36Å; F772-Y776 VanDerWaalsContact O-CB 3.3Å; F772-Y776 WeakPolarHBondContact O-CB 3.44Å; F772-Y776 PolarHBondContact O-N 2.85Å
773	E	95.1	Very high	95.8	Very high	119 Å²	119	40 Å²	40	56%	0.556	20%	0.199	S	C	*	.	H	α-helix	trans	-63.3	-40.7	-177.6	-66.5	66.9	-148	0	0	111.1	S771 H777	S771-E773 VanDerWaalsContact C-N 3.29Å; S771-E773 PolarHBondContact O-N 3.02Å; E773-H777 WeakPolarHBondContact O-CB 3.39Å; E773-H777 PolarHBondContact O-N 3.44Å
774	E	96	Very high	95.8	Very high	67 Å²	67	47.2 Å²	47.2	31%	0.313	23%	0.233	S	C	.	.	H	α-helix	trans	-65.6	-45.5	174.7	-171.4	-170.2	172.7	0	0	111.7	G769 E770 S771 F772 H777 K778	G769-E774 WeakPolarHBondContact CA-OE2 3.12Å; E770-E774 PolarHBondContact N-OE2 3.5Å; S771-E774 PolarHBondContact O-N 3.3Å; S771-E774 WeakPolarHBondContact OG-CB 3.46Å; S771-E774 PolarHBondContact OG-N 3.15Å; F772-E774 VanDerWaalsContact C-N 3.33Å; F772-E774 PolarHBondContact O-N 3.09Å; E774-H777 PolarHBondContact O-N 2.8Å; E774-K778 HydrophobicContact CG-CD 4.38Å; E774-K778 WeakPolarHBondContact O-CG 3.29Å; E774-K778 PolarHBondContact O-N 2.96Å; E774-K778 VanDerWaalsContact OE1-CE 3.27Å; E774-K778 WeakPolarHBondContact OE1-CE 3.49Å; E774-K778 IonicContact OE1-NZ 3.95Å; E774-K778 PolarHBondContact OE1-NZ 2.8Å
775	V	96.8	Very high	95.6	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.006	26%	0.258	C	S	.	.	H	α-helix	trans	-60.4	-47.5	176.5	170.7	0	0	0	0	110.4	I621 V725 I736 V767 S771 F772 H777 K778 V779	I621-V775 HydrophobicContact CD1-CG1 4.1Å; V725-V775 HydrophobicContact CG1-CG1 3.75Å; V725-V775 HydrophobicContact CG2-CG1 4.02Å; I736-V775 HydrophobicContact CD1-CG2 4.2Å; V767-V775 HydrophobicContact CG1-CG1 4.14Å; S771-V775 WeakPolarHBondContact O-CG2 3.49Å; S771-V775 PolarHBondContact O-N 2.77Å; S771-V775 VanDerWaalsContact O-N 3.13Å; F772-V775 PolarHBondContact O-N 2.56Å; V775-H777 PolarHBondContact O-N 3.27Å; V775-K778 PolarHBondContact O-N 3.16Å; V775-V779 HydrophobicContact CG1-CG2 4.37Å; V775-V779 VanDerWaalsContact O-CG2 3.31Å; V775-V779 WeakPolarHBondContact O-CG2 3.44Å; V775-V779 PolarHBondContact O-N 2.84Å
776	Y	97.5	Very high	95.5	Very high	15 Å²	15	54.9 Å²	54.9	6%	0.059	27%	0.266	C	S	.	.	H	α-helix	trans	-62.6	-42.7	-179.1	-174.7	-118.5	0	0	0	111.9	I621 D624 L625 E628 F772 V779 K780	I621-Y776 HydrophobicContact CB-CD2 4.48Å; I621-Y776 HydrophobicContact CG1-CD2 4.27Å; I621-Y776 HydrophobicContact CG2-CD2 4.14Å; I621-Y776 HydrophobicContact CG2-CE2 4.29Å; D624-Y776 HydrophobicContact CB-CE2 3.77Å; D624-Y776 PolarHBondContact O-OH 2.98Å; L625-Y776 HydrophobicContact CD2-CE2 4.03Å; L625-Y776 HydrophobicContact CG-CE2 4.01Å; L625-Y776 PolarHBondContact N-OH 3.35Å; E628-Y776 PolarHBondContact OE2-OH 3.3Å; F772-Y776 HydrophobicContact CE1-CG 4.35Å; F772-Y776 HydrophobicContact CZ-CD2 4.33Å; F772-Y776 HydrophobicContact CZ-CG 4.36Å; F772-Y776 VanDerWaalsContact O-CB 3.3Å; F772-Y776 WeakPolarHBondContact O-CB 3.44Å; F772-Y776 PolarHBondContact O-N 2.85Å; Y776-V779 PolarHBondContact O-N 3.37Å; Y776-K780 HydrophobicContact CE1-CD 3.96Å; Y776-K780 VanDerWaalsContact CE1-NZ 3.3Å; Y776-K780 PolarHBondContact O-N 2.82Å
777	H	97.8	Very high	95.2	Very high	120 Å²	120	55.5 Å²	55.5	56%	0.556	27%	0.272	S	S	*	.	H	α-helix	trans	-60.6	-48.4	174.8	-177	67.3	0	0	0	111.7	E773 E774 V775 V779 K780 T781	E773-H777 WeakPolarHBondContact O-CB 3.39Å; E773-H777 PolarHBondContact O-N 3.44Å; E774-H777 PolarHBondContact O-N 2.8Å; V775-H777 PolarHBondContact O-N 3.27Å; H777-V779 VanDerWaalsContact C-N 3.34Å; H777-V779 PolarHBondContact O-N 3.29Å; H777-K780 WeakPolarHBondContact O-CB 3.38Å; H777-K780 PolarHBondContact O-N 2.83Å; H777-K780 VanDerWaalsContact O-N 3.15Å; H777-T781 PolarHBondContact O-N 2.64Å; H777-T781 PolarHBondContact O-OG1 2.7Å
778	K	97.3	Very high	94.8	Very high	74 Å²	74	56.7 Å²	56.7	32%	0.322	29%	0.285	S	S	.	.	H	α-helix	trans	-62.6	-38.6	178	-72.9	177.4	-175.8	175.7	0	112.8	V767 E768 E774 V775 K780 T781 V782	V767-K778 HydrophobicContact CG1-CB 3.58Å; V767-K778 HydrophobicContact CG1-CD 4.11Å; V767-K778 HydrophobicContact CG2-CB 4.3Å; E768-K778 WeakPolarHBondContact O-CD 3.37Å; E768-K778 PolarHBondContact O-NZ 3.08Å; E774-K778 HydrophobicContact CG-CD 4.38Å; E774-K778 WeakPolarHBondContact O-CG 3.29Å; E774-K778 PolarHBondContact O-N 2.96Å; E774-K778 VanDerWaalsContact OE1-CE 3.27Å; E774-K778 WeakPolarHBondContact OE1-CE 3.49Å; E774-K778 IonicContact OE1-NZ 3.95Å; E774-K778 PolarHBondContact OE1-NZ 2.8Å; V775-K778 PolarHBondContact O-N 3.16Å; K778-K780 VanDerWaalsContact C-N 3.33Å; K778-K780 PolarHBondContact O-N 2.83Å; K778-T781 PolarHBondContact O-N 3Å; K778-V782 WeakPolarHBondContact O-CG2 3.47Å; K778-V782 PolarHBondContact O-N 2.78Å
779	V	98.1	Very high	94.5	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-59.4	-45.7	173.7	167.6	0	0	0	0	110.5	I613 I621 I723 V767 V775 Y776 H777 T781 V782 I783	I613-V779 HydrophobicContact CD1-CG1 3.81Å; I621-V779 HydrophobicContact CD1-CG2 4.35Å; I621-V779 HydrophobicContact CG2-CG1 3.96Å; I723-V779 HydrophobicContact CD1-CG1 4.02Å; I723-V779 HydrophobicContact CG2-CG2 4.2Å; V767-V779 HydrophobicContact CG1-CG2 4.35Å; V767-V779 HydrophobicContact CG2-CG2 4.33Å; V775-V779 HydrophobicContact CG1-CG2 4.37Å; V775-V779 VanDerWaalsContact O-CG2 3.31Å; V775-V779 WeakPolarHBondContact O-CG2 3.44Å; V775-V779 PolarHBondContact O-N 2.84Å; Y776-V779 PolarHBondContact O-N 3.37Å; H777-V779 VanDerWaalsContact C-N 3.34Å; H777-V779 PolarHBondContact O-N 3.29Å; V779-T781 PolarHBondContact O-N 2.96Å; V779-V782 PolarHBondContact O-N 3.3Å; V779-I783 HydrophobicContact CG1-CD1 3.94Å; V779-I783 WeakPolarHBondContact O-CG1 3.3Å; V779-I783 PolarHBondContact O-N 3.06Å
780	K	97.6	Very high	94.3	Very high	60 Å²	60	63 Å²	63	26%	0.261	32%	0.315	S	S	.	.	H	α-helix	trans	-60.8	-44.3	176.5	-72.1	-170	-70.5	-168.4	0	112.1	L625 E628 F629 Y776 H777 K778 V782 I783 E784	L625-K780 HydrophobicContact CD2-CD 4.38Å; L625-K780 HydrophobicContact CD2-CG 3.96Å; E628-K780 IonicContact OE2-NZ 2.86Å; F629-K780 HydrophobicContact CE2-CD 3.77Å; F629-K780 HydrophobicContact CZ-CD 4.21Å; Y776-K780 HydrophobicContact CE1-CD 3.96Å; Y776-K780 VanDerWaalsContact CE1-NZ 3.3Å; Y776-K780 PolarHBondContact O-N 2.82Å; H777-K780 WeakPolarHBondContact O-CB 3.38Å; H777-K780 PolarHBondContact O-N 2.83Å; H777-K780 VanDerWaalsContact O-N 3.15Å; K778-K780 VanDerWaalsContact C-N 3.33Å; K778-K780 PolarHBondContact O-N 2.83Å; K780-V782 PolarHBondContact O-N 2.78Å; K780-I783 PolarHBondContact O-N 2.81Å; K780-E784 WeakPolarHBondContact O-CB 3.27Å; K780-E784 PolarHBondContact O-N 2.72Å
781	T	96.3	Very high	94.4	Very high	46 Å²	46	56.9 Å²	56.9	28%	0.282	29%	0.287	S	S	.	.	H	α-helix	trans	-58.5	-47.2	175.6	-54.9	0	0	0	0	111.8	H777 K778 V779 I783 E784 E785	H777-T781 PolarHBondContact O-N 2.64Å; H777-T781 PolarHBondContact O-OG1 2.7Å; K778-T781 PolarHBondContact O-N 3Å; V779-T781 PolarHBondContact O-N 2.96Å; T781-I783 VanDerWaalsContact C-N 3.33Å; T781-I783 PolarHBondContact O-N 2.74Å; T781-E784 PolarHBondContact O-N 2.91Å; T781-E785 HydrophobicContact CG2-CG 4.35Å; T781-E785 WeakPolarHBondContact O-CG 3.42Å; T781-E785 PolarHBondContact O-N 2.8Å
782	V	96.2	Very high	94.3	Very high	20 Å²	20	57 Å²	57	12%	0.121	28%	0.281	C	S	.	.	H	α-helix	trans	-60	-43.9	177.2	168.1	0	0	0	0	111.4	I721 I723 A765 V767 K778 V779 K780 Q786	I721-V782 HydrophobicContact CG2-CG1 4.31Å; I723-V782 HydrophobicContact CD1-CB 4.05Å; I723-V782 HydrophobicContact CD1-CG1 3.57Å; I723-V782 HydrophobicContact CG1-CG1 3.84Å; A765-V782 HydrophobicContact CB-CB 4.45Å; A765-V782 HydrophobicContact CB-CG1 3.55Å; A765-V782 HydrophobicContact CB-CG2 3.98Å; V767-V782 HydrophobicContact CG2-CG2 4.04Å; K778-V782 WeakPolarHBondContact O-CG2 3.47Å; K778-V782 PolarHBondContact O-N 2.78Å; V779-V782 PolarHBondContact O-N 3.3Å; K780-V782 PolarHBondContact O-N 2.78Å; V782-Q786 HydrophobicContact CG1-CG 4.34Å; V782-Q786 WeakPolarHBondContact O-CB 3.1Å; V782-Q786 WeakPolarHBondContact O-CG 3.26Å; V782-Q786 PolarHBondContact O-N 3.24Å; V782-Q786 VanDerWaalsContact O-N 3.08Å
783	I	97.1	Very high	94.2	Very high	6 Å²	6	57.9 Å²	57.9	3%	0.031	29%	0.286	C	S	.	.	H	α-helix	trans	-59.8	-50.3	177.3	-67	169.6	0	0	0	109.3	I611 L625 F633 I723 V779 K780 T781 E785 Q786 S787	I611-I783 HydrophobicContact CD1-CD1 4.48Å; I611-I783 HydrophobicContact CD1-CG1 4.15Å; I611-I783 HydrophobicContact CD1-CG2 4.1Å; I611-I783 HydrophobicContact CG2-CD1 4.08Å; I611-I783 HydrophobicContact CG2-CG1 4.43Å; L625-I783 HydrophobicContact CD1-CD1 3.86Å; L625-I783 HydrophobicContact CD2-CD1 4.41Å; F633-I783 HydrophobicContact CE1-CD1 4.13Å; F633-I783 HydrophobicContact CE1-CG2 4.05Å; F633-I783 HydrophobicContact CZ-CD1 4.26Å; F633-I783 HydrophobicContact CZ-CG2 4.13Å; I723-I783 HydrophobicContact CD1-CD1 4.34Å; I723-I783 HydrophobicContact CD1-CG1 3.67Å; V779-I783 HydrophobicContact CG1-CD1 3.94Å; V779-I783 WeakPolarHBondContact O-CG1 3.3Å; V779-I783 PolarHBondContact O-N 3.06Å; K780-I783 PolarHBondContact O-N 2.81Å; T781-I783 VanDerWaalsContact C-N 3.33Å; T781-I783 PolarHBondContact O-N 2.74Å; I783-E785 PolarHBondContact O-N 3.49Å; I783-Q786 CarbonylContact O-C 3.59Å; I783-Q786 PolarHBondContact O-N 3.11Å; I783-S787 WeakPolarHBondContact O-CB 3.31Å; I783-S787 PolarHBondContact O-N 2.88Å; I783-S787 PolarHBondContact O-OG 3.26Å
784	E	94.6	Very high	93.9	Very high	152 Å²	152	54.2 Å²	54.2	71%	0.71	27%	0.272	S	S	*	.	H	α-helix	trans	-57.9	-49.2	-179.3	-176	168.5	-155.3	0	0	112.5	K780 T781 Q786 S787	K780-E784 WeakPolarHBondContact O-CB 3.27Å; K780-E784 PolarHBondContact O-N 2.72Å; T781-E784 PolarHBondContact O-N 2.91Å; E784-Q786 PolarHBondContact O-N 2.86Å; E784-S787 PolarHBondContact O-N 2.86Å
785	E	91.2	Very high	93.4	Very high	128 Å²	128	53 Å²	53	60%	0.598	27%	0.269	S	S	*	.	H	α-helix	trans	-61.4	-31.9	178	-71.6	175.3	172	0	0	113	T781 I783	T781-E785 HydrophobicContact CG2-CG 4.35Å; T781-E785 WeakPolarHBondContact O-CG 3.42Å; T781-E785 PolarHBondContact O-N 2.8Å; I783-E785 PolarHBondContact O-N 3.49Å
786	Q	92.3	Very high	92.1	Very high	56 Å²	56	65.1 Å²	65.1	26%	0.262	32%	0.315	S	S	.	.	H	α-helix	trans	-96.2	-3.3	-175.3	-67.4	-72.3	-27.3	0	0	113.8	R609 I721 V782 I783 E784 G788	R609-Q786 VanDerWaalsContact CD-O 3.28Å; R609-Q786 WeakPolarHBondContact CD-O 3.07Å; R609-Q786 PolarHBondContact NH1-O 3.5Å; I721-Q786 HydrophobicContact CD1-CB 3.64Å; I721-Q786 HydrophobicContact CG1-CB 3.89Å; I721-Q786 HydrophobicContact CG2-CB 4.07Å; I721-Q786 HydrophobicContact CG2-CG 4.39Å; V782-Q786 HydrophobicContact CG1-CG 4.34Å; V782-Q786 WeakPolarHBondContact O-CB 3.1Å; V782-Q786 WeakPolarHBondContact O-CG 3.26Å; V782-Q786 PolarHBondContact O-N 3.24Å; V782-Q786 VanDerWaalsContact O-N 3.08Å; I783-Q786 CarbonylContact O-C 3.59Å; I783-Q786 PolarHBondContact O-N 3.11Å; E784-Q786 PolarHBondContact O-N 2.86Å; Q786-G788 VanDerWaalsContact C-N 3.34Å
787	S	91.6	Very high	90.6	Very high	44 Å²	44	71.1 Å²	71.1	31%	0.308	34%	0.343	S	S	.	.			trans	-85	-3.2	-175	-66.9	0	0	0	0	114.5	H700 I783 E784	H700-S787 PolarHBondContact CE1-OG 3.11Å; H700-S787 PolarHBondContact NE2-OG 2.95Å; H700-S787 VanDerWaalsContact NE2-OG 3.1Å; I783-S787 WeakPolarHBondContact O-CB 3.31Å; I783-S787 PolarHBondContact O-N 2.88Å; I783-S787 PolarHBondContact O-OG 3.26Å; E784-S787 PolarHBondContact O-N 2.86Å
788	G	87.1	Confident	89	Confident	31 Å²	31	76.5 Å²	76.5	32%	0.32	36%	0.359	S	S	.	.	S	Bend	trans	-62.2	159.1	178.8	0	0	0	0	0	113.8	Q786 Y790	Q786-G788 VanDerWaalsContact C-N 3.34Å; G788-Y790 PolarHBondContact O-N 2.82Å
789	P	88	Confident	87.5	Confident	69 Å²	69	75.8 Å²	75.8	45%	0.448	36%	0.358	S	S	.	.	S	Bend	trans	-69.5	-21.6	179.8	29.1	-35.2	0	0	0	112.6	E604 V605	E604-P789 CarbonylContact C-O 3.45Å; E604-P789 VanDerWaalsContact CA-O 3.29Å; E604-P789 WeakPolarHBondContact CA-O 3.45Å; V605-P789 WeakPolarHBondContact CG2-O 3.39Å; V605-P789 PolarHBondContact N-O 3.33Å
790	Y	90.9	Very high	86.9	Confident	132 Å²	132	79.6 Å²	79.6	52%	0.518	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	115.2	176.1	-59.5	-72	0	0	0	110.4	V603 E604 G788	V603-Y790 WeakPolarHBondContact O-CA 3.24Å; E604-Y790 HydrophobicContact CB-CD1 4.02Å; E604-Y790 HydrophobicContact CB-CE1 3.88Å; E604-Y790 HydrophobicContact CG-CD1 4.2Å; E604-Y790 HydrophobicContact CG-CE1 3.83Å; G788-Y790 PolarHBondContact O-N 2.82Å
791	I	93.1	Very high	86.4	Confident	2 Å²	2	80.6 Å²	80.6	1%	0.01	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	152.7	-175.4	66.6	164.6	0	0	0	111	Q602 V603 V605 H719 I793	Q602-I791 CarbonylContact C-O 3.2Å; Q602-I791 VanDerWaalsContact CA-O 3.3Å; Q602-I791 WeakPolarHBondContact CA-O 3.32Å; V603-I791 HydrophobicContact CG2-CD1 4Å; V603-I791 HydrophobicContact CG2-CG1 3.5Å; V603-I791 PolarHBondContact N-O 2.69Å; V603-I791 PolarHBondContact O-N 2.76Å; V605-I791 HydrophobicContact CG1-CD1 3.5Å; V605-I791 HydrophobicContact CG1-CG1 3.87Å; V605-I791 HydrophobicContact CG2-CD1 4.26Å; V605-I791 HydrophobicContact CG2-CG1 4.3Å; V605-I791 HydrophobicContact CG2-CG2 3.85Å; H719-I791 HydrophobicContact CB-CD1 3.64Å; I791-I793 HydrophobicContact CD1-CG2 3.64Å; I791-I793 HydrophobicContact CG1-CG2 4Å
792	W	92.1	Very high	85.8	Confident	47 Å²	47	82.5 Å²	82.5	18%	0.178	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	121.2	173.1	-64.7	97	0	0	0	109.9	Y503 V530 V547 V600 T601 Q602	Y503-W792 AromaticContact CD1-CH2 3.4Å; Y503-W792 HydrophobicContact CD1-CH2 3.4Å; Y503-W792 HydrophobicContact CD1-CZ2 4.3Å; Y503-W792 AromaticContact CD1-CZ3 3.73Å; Y503-W792 HydrophobicContact CD1-CZ3 3.73Å; Y503-W792 HydrophobicContact CD2-CH2 4.09Å; Y503-W792 AromaticContact CD2-CZ3 3.92Å; Y503-W792 HydrophobicContact CD2-CZ3 3.92Å; Y503-W792 AromaticContact CE1-CH2 3.65Å; Y503-W792 HydrophobicContact CE1-CH2 3.65Å; Y503-W792 HydrophobicContact CE1-CZ2 4.47Å; Y503-W792 HydrophobicContact CE1-CZ3 4.36Å; Y503-W792 HydrophobicContact CE2-CH2 4.33Å; Y503-W792 AromaticContact CG-CH2 3.63Å; Y503-W792 HydrophobicContact CG-CH2 3.63Å; Y503-W792 AromaticContact CG-CZ3 3.47Å; Y503-W792 HydrophobicContact CG-CZ3 3.47Å; Y503-W792 VanDerWaalsContact CG-CZ3 3.47Å; V530-W792 HydrophobicContact CB-CD2 4.47Å; V530-W792 HydrophobicContact CG1-CD2 3.82Å; V530-W792 HydrophobicContact CG1-CE3 4.02Å; V530-W792 HydrophobicContact CG1-CG 4.33Å; V530-W792 HydrophobicContact CG1-CH2 4.29Å; V530-W792 HydrophobicContact CG1-CZ2 4.11Å; V530-W792 HydrophobicContact CG1-CZ3 4.24Å; V530-W792 HydrophobicContact CG2-CB 4.14Å; V530-W792 HydrophobicContact CG2-CD2 4.13Å; V530-W792 HydrophobicContact CG2-CG 3.74Å; V547-W792 HydrophobicContact CG1-CZ2 4Å; V600-W792 HydrophobicContact CB-CB 4.35Å; V600-W792 HydrophobicContact CB-CE3 4.19Å; V600-W792 HydrophobicContact CG2-CB 4.44Å; V600-W792 HydrophobicContact CG2-CD2 4.35Å; V600-W792 HydrophobicContact CG2-CE3 3.67Å; V600-W792 HydrophobicContact CG2-CZ3 4.34Å; T601-W792 WeakPolarHBondContact O-CA 3.42Å; Q602-W792 HydrophobicContact CB-CD2 4.22Å; Q602-W792 HydrophobicContact CB-CE3 3.92Å; Q602-W792 HydrophobicContact CB-CH2 3.84Å; Q602-W792 HydrophobicContact CB-CZ2 4.11Å; Q602-W792 HydrophobicContact CB-CZ3 3.74Å; Q602-W792 HydrophobicContact CG-CD2 4.47Å; Q602-W792 HydrophobicContact CG-CH2 4.49Å; Q602-W792 HydrophobicContact CG-CZ2 4.28Å
793	I	92	Very high	85.2	Confident	27 Å²	27	86.2 Å²	86.2	14%	0.138	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	145.8	177.5	65	167.6	0	0	0	110.8	V600 T601 V603 H719 I791	V600-I793 CarbonylContact C-O 3.52Å; V600-I793 WeakPolarHBondContact CA-O 3.49Å; V600-I793 WeakPolarHBondContact CB-O 3.5Å; T601-I793 HydrophobicContact CG2-CD1 4.33Å; T601-I793 HydrophobicContact CG2-CG1 3.79Å; T601-I793 PolarHBondContact N-O 3.18Å; T601-I793 PolarHBondContact O-N 3.4Å; V603-I793 HydrophobicContact CB-CD1 4.43Å; V603-I793 HydrophobicContact CG1-CD1 3.66Å; V603-I793 HydrophobicContact CG1-CG1 3.95Å; V603-I793 HydrophobicContact CG2-CD1 3.88Å; V603-I793 HydrophobicContact CG2-CG1 3.98Å; V603-I793 HydrophobicContact CG2-CG2 3.8Å; H719-I793 HydrophobicContact CB-CG2 4.34Å; I791-I793 HydrophobicContact CD1-CG2 3.64Å; I791-I793 HydrophobicContact CG1-CG2 4Å
794	P	89.2	Confident	84.5	Confident	42 Å²	42	91.2 Å²	91.2	27%	0.273	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	139.5	174.5	-24.6	34.9	0	0	0	112.3	E598 T599	E598-P794 HydrophobicContact CG-CB 4.23Å; E598-P794 WeakPolarHBondContact OE1-CB 3.32Å; E598-P794 VanDerWaalsContact OE1-CG 3.3Å; E598-P794 WeakPolarHBondContact OE1-CG 3.36Å; T599-P794 WeakPolarHBondContact O-CA 3.26Å
795	T	85.4	Confident	83.8	Confident	40 Å²	40	87.1 Å²	87.1	25%	0.245	41%	0.407	C	S	.	.			trans	-93	159.2	170.7	74.6	0	0	0	0	111	T599 T601 E797	T599-T795 VanDerWaalsContact CB-OG1 3.31Å; T599-T795 WeakPolarHBondContact CB-OG1 3.42Å; T599-T795 PolarHBondContact O-N 2.91Å; T599-T795 PolarHBondContact OG1-OG1 2.74Å; T601-T795 HydrophobicContact CG2-CG2 3.79Å; T795-E797 PolarHBondContact O-N 3.18Å; T795-E797 PolarHBondContact OG1-N 3.3Å
796	R	68.9	Low	83.3	Confident	257 Å²	257	84.2 Å²	84.2	97%	0.97	39%	0.394	S	S	*	.	S	Bend	trans	-74.2	-10.7	173.6	-68	-175.1	176.8	-176	0.3	112.9
797	E	66.9	Low	82.6	Confident	141 Å²	141	86.4 Å²	86.4	66%	0.659	40%	0.404	S	S	*	.			trans	-74.4	127.9	-178.8	-61.7	-178	166.7	0	0	109.6	T599 T795	T599-E797 PolarHBondContact OG1-O 2.58Å; T795-E797 PolarHBondContact O-N 3.18Å; T795-E797 PolarHBondContact OG1-N 3.3Å
798	R	64.1	Low	81.8	Confident	233 Å²	233	89.9 Å²	89.9	88%	0.879	41%	0.412	S	S	*	.			trans	-88.2	133.1	174.1	-71.6	-176.1	166.7	-169.9	-5.1	109.8
799	L	64.1	Low	81.3	Confident	58 Å²	58	95.3 Å²	95.3	30%	0.304	42%	0.42	S	S	.	.			trans	-58.2	0	169.6	-75.8	167.3	0	0	0	113	F502 I504 K562 T599	F502-L799 HydrophobicContact CD2-CD2 4Å; F502-L799 HydrophobicContact CE2-CD2 3.35Å; F502-L799 HydrophobicContact CZ-CD2 3.98Å; I504-L799 HydrophobicContact CG2-CD1 3.9Å; I504-L799 HydrophobicContact CG2-CD2 3.92Å; I504-L799 HydrophobicContact CG2-CG 4.46Å; K562-L799 HydrophobicContact CD-CB 3.69Å; K562-L799 HydrophobicContact CD-CD1 4.38Å; K562-L799 PolarHBondContact NZ-O 2.72Å; T599-L799 HydrophobicContact CG2-CD1 4.23Å; T599-L799 HydrophobicContact CG2-CD2 3.5Å; T599-L799 HydrophobicContact CG2-CG 3.5Å; T599-L799 VanDerWaalsContact CG2-CG 3.5Å

Retrieved 799 of 799 residues in 382.9 ms (Link to these results)

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