A0A087XJU8_POEFO Loading...

Multiple C2 and transmembrane domain containing 1

AlphaFold DB , UniProt , Accession A0A087XJU8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 892 aa.

						>A0A087XJU8_POEFO|A0A087XJU8
MEQKSPKPGGSGRGQESMSYQRRMWKNFQEKTKPWLSPKLGSERRGAGGGGGAEGTKKESGLWMFRRKKKQLDRVFSSSQPNLCCSTPAPFERDKLAAGGGDATSEMSSDSQALGTSSGATGSKPELTAHGSPKLPVSQLMMCQQKSSSLGSPCFEKLVVDPAAELGGEEEQLRKNASDSGINIVGPSNAESQPHLPCPAMYQLDIVLKKGKNLAIRDRTGTSDPYVKFKIGGKEVFRSKTIHKNLNPVWDERVILLVETLREPLYVKVFDYDFGLQDDFMGSAYLHLESLEHQRSLDVTLDLKDPQYPEHDLGSLELTVTLSPKEGDIRDATMLLRRNWKRSSKYQSMRLSDVHRKAQLWRGIVSVSLIEGRNLQPMDANGFSDPYVKFRMGHQKYKSKTIPKTLNPQWREQFDFHLYEEQGGYVDITVWDRDAGKKDDFMGRCTIDLSLLSKEHTHKLDLPLEEGEGVLVLLVTLTASAAVSISDLSVNMLDDPHERHQIMQRYSLWRSLHNLKDVGVVQVKVIRAEGLMAADVTGKSDPFCVVELSNDRLQTHTVYKNLNPEWNKVFTFNVKDIHSVLEVTVYDEDRDRSADFLGKVAIPLLNIQNGERKAYVLKSKELTGPTKGVIFLEIDVIFNAVKAGLRTLTPVEQKYIEEEPKVSKQMLLRNFNRVRRCIMFLINTGCYINSCFEWESPQRSICAFVIFTIVVWNFELYMIPLALLLPLAWNYILIASGRDTRQDVQAVEDLLEDEDEDFDKDDKDSERKGFMNKLYAIQDVCISVQNALDEVASYGERIKNTFNWTVPFLSWLAIVALVVATIIVYFIPLRFIVLAWGVNKFTKKLRDPYTIDNNELLDFLSRVPSDVQVVQYQQLKLDPNPSPNKRKKNNPG
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.2	Very low	35.3	Very low	249 Å²	249	143.6 Å²	143.6	100%	1.227	85%	0.845	S	S	*	*				0	160.7	0	-81.2	168.5	163	0	0	109
2	E	35.3	Very low	35.5	Very low	166 Å²	166	138.3 Å²	138.3	78%	0.776	84%	0.843	S	S	*	*			trans	-74.8	173.2	-173.4	-74.4	168.2	80.9	0	0	113.6
3	Q	33.9	Very low	35.6	Very low	125 Å²	125	147.7 Å²	147.7	58%	0.584	85%	0.853	S	S	*	*			cis	-158.7	156.2	7.2	-134.8	174.9	78.5	0	0	111.9
4	K	31.5	Very low	35.9	Very low	178 Å²	178	141.3 Å²	141.3	77%	0.774	84%	0.835	S	S	*	*			trans	55.5	142.6	147.6	-79.1	167.8	-167.1	155.9	0	124.8
5	S	31	Very low	36.1	Very low	112 Å²	112	143.6 Å²	143.6	78%	0.783	83%	0.834	S	S	*	*			trans	-94.5	-175.9	158.8	-37.2	0	0	0	0	110.8
6	P	43.9	Very low	36.3	Very low	127 Å²	127	145.4 Å²	145.4	83%	0.825	83%	0.832	S	S	*	*			cis	-138.6	-158.5	2.2	43	-21.3	0	0	0	116.1
7	K	32.9	Very low	36.6	Very low	196 Å²	196	141.5 Å²	141.5	85%	0.852	82%	0.816	S	S	*	*			trans	-67.6	-176.7	174.2	-64.9	178.9	171.2	176.2	0	114.2
8	P	49.7	Very low	36.9	Very low	129 Å²	129	139.7 Å²	139.7	84%	0.838	80%	0.8	S	S	*	*			cis	-137.9	-178.4	-1	39.3	-19.3	0	0	0	117.7
9	G	27.3	Very low	37.5	Very low	82 Å²	82	135.5 Å²	135.5	85%	0.845	78%	0.781	S	S	*	*			trans	118.7	145.1	158.7	0	0	0	0	0	115.2
10	G	29.6	Very low	37.9	Very low	85 Å²	85	137.5 Å²	137.5	88%	0.876	78%	0.776	S	S	*	*			cis	-159.7	175.1	-2.8	0	0	0	0	0	111.4
11	S	35.4	Very low	38.3	Very low	131 Å²	131	137.2 Å²	137.2	92%	0.916	77%	0.768	S	S	*	*			trans	-102.4	152	-168.9	62.7	0	0	0	0	115.1
12	G	37.6	Very low	38.6	Very low	79 Å²	79	134 Å²	134	81%	0.814	74%	0.742	S	S	*	*			trans	-171.2	69.4	177.6	0	0	0	0	0	115.5
13	R	37.4	Very low	39	Very low	261 Å²	261	134.6 Å²	134.6	99%	0.985	74%	0.738	S	S	*	*	S	Bend	trans	-155.6	23.9	172.3	-121.4	176.5	-160.6	-162	4.6	116.4
14	G	39.5	Very low	39.6	Very low	58 Å²	58	134.8 Å²	134.8	60%	0.598	74%	0.74	S	S	*	*	S	Bend	trans	-117.8	3.7	-172.3	0	0	0	0	0	117
15	Q	38.8	Very low	39.8	Very low	176 Å²	176	135.5 Å²	135.5	82%	0.822	74%	0.738	S	S	*	*	S	Bend	trans	-105.2	-18.8	-160.9	-147.1	166.2	7.3	0	0	115.4
16	E	39.7	Very low	40.1	Very low	172 Å²	172	136.7 Å²	136.7	80%	0.804	73%	0.729	S	S	*	*	S	Bend	trans	-80.6	-39.8	-175.8	-64.3	-174.5	127.9	0	0	113.5	M18 S19	E16-M18 PolarHBondContact O-N 2.68Å; E16-S19 WeakPolarHBondContact O-CB 3.35Å; E16-S19 PolarHBondContact O-N 2.67Å; E16-S19 VanDerWaalsContact O-N 3.08Å; E16-S19 PolarHBondContact O-OG 2.8Å
17	S	42	Very low	39.9	Very low	79 Å²	79	135.9 Å²	135.9	55%	0.552	72%	0.718	S	S	*	*	H	α-helix	trans	-59.3	-43.2	-177.3	51.2	0	0	0	0	113	S19 Y20	S17-S19 PolarHBondContact O-N 3.16Å; S17-S19 VanDerWaalsContact O-N 3.16Å; S17-Y20 PolarHBondContact O-N 2.72Å
18	M	40.6	Very low	40.1	Very low	109 Å²	109	134.3 Å²	134.3	54%	0.537	71%	0.711	S	S	.	*	H	α-helix	trans	-61	-22.1	177.7	-74.4	-71.6	-85	0	0	113.6	E16 R22	E16-M18 PolarHBondContact O-N 2.68Å; M18-R22 WeakPolarHBondContact O-CB 2.91Å
19	S	48.9	Very low	39.5	Very low	61 Å²	61	134.4 Å²	134.4	43%	0.427	70%	0.701	S	S	.	*	H	α-helix	trans	-74.8	-32	179.1	77.9	0	0	0	0	113	E16 S17 R23	E16-S19 WeakPolarHBondContact O-CB 3.35Å; E16-S19 PolarHBondContact O-N 2.67Å; E16-S19 VanDerWaalsContact O-N 3.08Å; E16-S19 PolarHBondContact O-OG 2.8Å; S17-S19 PolarHBondContact O-N 3.16Å; S17-S19 VanDerWaalsContact O-N 3.16Å; S19-R23 PolarHBondContact O-N 2.86Å
20	Y	45	Very low	39.8	Very low	175 Å²	175	137.6 Å²	137.6	69%	0.686	69%	0.694	S	S	*	*	H	α-helix	trans	-81.1	-44.9	-172.3	-134.1	-86.2	0	0	0	111.9	S17 R22 R23 M24	S17-Y20 PolarHBondContact O-N 2.72Å; Y20-R22 VanDerWaalsContact C-N 3.31Å; Y20-R22 PolarHBondContact O-N 3.13Å; Y20-R23 PolarHBondContact O-N 3.37Å; Y20-M24 PolarHBondContact O-N 2.67Å
21	Q	46.4	Very low	40	Very low	132 Å²	132	142.6 Å²	142.6	62%	0.617	69%	0.691	S	S	*	*	H	α-helix	trans	-60.7	-41	174.1	-72.1	176.4	-72.8	0	0	111.6	R23 M24 W25	Q21-R23 PolarHBondContact O-N 3.23Å; Q21-M24 PolarHBondContact O-N 2.83Å; Q21-M24 VanDerWaalsContact O-N 3.15Å; Q21-W25 PolarHBondContact O-N 3.28Å
22	R	43.8	Very low	40	Very low	180 Å²	180	141.1 Å²	141.1	68%	0.679	68%	0.677	S	S	*	*	H	α-helix	trans	-66.7	-21.2	179.3	-160.7	176.7	-69.4	-154.9	-3	113.3	M18 Y20	M18-R22 WeakPolarHBondContact O-CB 2.91Å; Y20-R22 VanDerWaalsContact C-N 3.31Å; Y20-R22 PolarHBondContact O-N 3.13Å
23	R	43.2	Very low	39.7	Very low	179 Å²	179	146.3 Å²	146.3	68%	0.675	68%	0.677	S	S	*	*	H	α-helix	trans	-78.7	-41.8	169.5	-74.5	-178.8	179.8	-176.2	1.3	112.6	S19 Y20 Q21 W25 K26 N27	S19-R23 PolarHBondContact O-N 2.86Å; Y20-R23 PolarHBondContact O-N 3.37Å; Q21-R23 PolarHBondContact O-N 3.23Å; R23-W25 VanDerWaalsContact C-N 3.32Å; R23-W25 PolarHBondContact O-N 3.37Å; R23-K26 PolarHBondContact O-N 2.94Å; R23-N27 PolarHBondContact O-N 2.91Å
24	M	46.4	Very low	39.4	Very low	130 Å²	130	140 Å²	140	64%	0.64	67%	0.67	S	S	*	*	H	α-helix	trans	-62.9	-38.5	176.2	-70.5	-144.8	-63.9	0	0	112.4	Y20 Q21 K26 N27 F28	Y20-M24 PolarHBondContact O-N 2.67Å; Q21-M24 PolarHBondContact O-N 2.83Å; Q21-M24 VanDerWaalsContact O-N 3.15Å; M24-K26 PolarHBondContact O-N 3.37Å; M24-N27 PolarHBondContact O-N 2.7Å; M24-F28 PolarHBondContact O-N 3.35Å
25	W	37	Very low	38.8	Very low	192 Å²	192	149.1 Å²	149.1	73%	0.727	69%	0.686	S	S	*	*	H	α-helix	trans	-63.4	-41.2	179.4	-127.7	-119.8	0	0	0	113.1	Q21 R23 F28 Q29	Q21-W25 PolarHBondContact O-N 3.28Å; R23-W25 VanDerWaalsContact C-N 3.32Å; R23-W25 PolarHBondContact O-N 3.37Å; W25-F28 WeakPolarHBondContact O-CB 3.06Å; W25-F28 PolarHBondContact O-N 3.2Å; W25-Q29 PolarHBondContact O-N 3.24Å
26	K	37	Very low	38.2	Very low	138 Å²	138	148.3 Å²	148.3	60%	0.6	69%	0.687	S	S	*	*	H	α-helix	trans	-61.6	-46.1	174.5	-88	-161.8	165.5	-161.2	0	112.7	R23 M24 F28 Q29 E30	R23-K26 PolarHBondContact O-N 2.94Å; M24-K26 PolarHBondContact O-N 3.37Å; K26-F28 PolarHBondContact O-N 3.14Å; K26-F28 VanDerWaalsContact O-N 3.13Å; K26-Q29 PolarHBondContact O-N 2.56Å; K26-Q29 VanDerWaalsContact O-N 3.17Å; K26-E30 PolarHBondContact O-N 2.79Å; K26-E30 VanDerWaalsContact O-N 3.15Å
27	N	38.8	Very low	37.6	Very low	110 Å²	110	145.2 Å²	145.2	59%	0.588	68%	0.684	S	S	*	*	H	α-helix	trans	-64.1	-17.6	178.8	-71.6	12.1	0	0	0	113.3	R23 M24	R23-N27 PolarHBondContact O-N 2.91Å; M24-N27 PolarHBondContact O-N 2.7Å
28	F	37.2	Very low	37.7	Very low	162 Å²	162	147.2 Å²	147.2	71%	0.711	70%	0.695	S	S	*	*	H	α-helix	trans	-82.4	-45.2	173.7	-144.3	-96	0	0	0	111.5	M24 W25 K26 E30 K31	M24-F28 PolarHBondContact O-N 3.35Å; W25-F28 WeakPolarHBondContact O-CB 3.06Å; W25-F28 PolarHBondContact O-N 3.2Å; K26-F28 PolarHBondContact O-N 3.14Å; K26-F28 VanDerWaalsContact O-N 3.13Å; F28-E30 VanDerWaalsContact C-N 3.33Å; F28-E30 PolarHBondContact O-N 2.82Å; F28-K31 PolarHBondContact O-N 2.83Å
29	Q	37.2	Very low	37	Very low	132 Å²	132	151.9 Å²	151.9	62%	0.617	71%	0.712	S	S	*	*	H	α-helix	trans	-64.2	-32.4	178.5	-71.1	-177.4	-47.6	0	0	113.6	W25 K26 K31 T32	W25-Q29 PolarHBondContact O-N 3.24Å; K26-Q29 PolarHBondContact O-N 2.56Å; K26-Q29 VanDerWaalsContact O-N 3.17Å; Q29-K31 PolarHBondContact O-N 2.88Å; Q29-T32 PolarHBondContact O-N 2.89Å; Q29-T32 PolarHBondContact O-OG1 3.1Å
30	E	33.8	Very low	36	Very low	148 Å²	148	157.5 Å²	157.5	69%	0.692	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	-14.5	-180	-73.4	-177.4	172.3	0	0	114.2	K26 F28	K26-E30 PolarHBondContact O-N 2.79Å; K26-E30 VanDerWaalsContact O-N 3.15Å; F28-E30 VanDerWaalsContact C-N 3.33Å; F28-E30 PolarHBondContact O-N 2.82Å
31	K	34.9	Very low	35	Very low	190 Å²	190	152.9 Å²	152.9	83%	0.826	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.4	-2.2	179	-71.9	-168.2	174.4	-173.5	0	114.9	F28 Q29	F28-K31 PolarHBondContact O-N 2.83Å; Q29-K31 PolarHBondContact O-N 2.88Å
32	T	35.5	Very low	34	Very low	101 Å²	101	151.8 Å²	151.8	62%	0.62	75%	0.749	S	S	*	*			trans	-119.8	86.9	-178	52.8	0	0	0	0	111.6	Q29	Q29-T32 PolarHBondContact O-N 2.89Å; Q29-T32 PolarHBondContact O-OG1 3.1Å
33	K	30.7	Very low	33.3	Very low	187 Å²	187	149.9 Å²	149.9	81%	0.813	75%	0.748	S	S	*	*			trans	-127.4	135.4	162.9	-74	-172.4	176.2	-179.4	0	109.9
34	P	31.4	Very low	32.5	Very low	128 Å²	128	149.7 Å²	149.7	83%	0.831	75%	0.747	S	S	*	*			trans	-68.7	153.2	179.9	-17.4	31.6	0	0	0	112.5
35	W	27.3	Very low	31.6	Very low	251 Å²	251	154 Å²	154	95%	0.951	76%	0.756	S	S	*	*			trans	-117.4	82.9	-178.2	-144.8	77.3	0	0	0	112.2
36	L	25.9	Very low	31.1	Very low	159 Å²	159	148.2 Å²	148.2	83%	0.832	76%	0.756	S	S	*	*			trans	-145.8	138.5	166.7	-65.7	175.5	0	0	0	104.3
37	S	27.5	Very low	30.7	Very low	107 Å²	107	147.2 Å²	147.2	75%	0.748	77%	0.773	S	S	*	*			cis	-153.2	177.7	27.2	-101.5	0	0	0	0	110.9
38	P	44.3	Very low	30.2	Very low	120 Å²	120	146 Å²	146	78%	0.779	79%	0.787	S	S	*	*			trans	-90.2	172.5	-157.1	36.1	-38.5	0	0	0	116.7
39	K	24.3	Very low	29.7	Very low	207 Å²	207	142.3 Å²	142.3	90%	0.9	79%	0.794	S	S	*	*			trans	-138.1	147.2	161.6	-89	-169.1	173	-177.3	0	112.5
40	L	27.7	Very low	29.3	Very low	180 Å²	180	140 Å²	140	94%	0.942	81%	0.807	S	S	*	*			trans	-72.2	157.1	-179.7	-80.4	59.8	0	0	0	112.6
41	G	25	Very low	29	Very low	77 Å²	77	137 Å²	137	79%	0.794	82%	0.816	S	S	*	*			trans	-167.3	40.3	-176.2	0	0	0	0	0	118.1
42	S	26.1	Very low	28.7	Very low	109 Å²	109	131.7 Å²	131.7	76%	0.762	81%	0.814	S	S	*	*			trans	32.5	107.1	154.4	-169.3	0	0	0	0	121.2
43	E	27.4	Very low	28.4	Very low	140 Å²	140	131.5 Å²	131.5	65%	0.654	82%	0.823	S	S	*	*				26.3	118	121.6	-159.8	-153	126.7	0	0	119.4
44	R	26.7	Very low	28.4	Very low	175 Å²	175	131.9 Å²	131.9	66%	0.66	83%	0.828	S	S	*	*				169.9	136.6	113	-93.7	179.2	-178	169.8	10.4	115.7
45	R	28.6	Very low	28.2	Very low	222 Å²	222	129.6 Å²	129.6	84%	0.838	83%	0.827	S	S	*	*			trans	50.8	140.9	146.5	-54.3	171.7	-170.4	178.9	0.8	119.1
46	G	26.5	Very low	28.4	Very low	70 Å²	70	123.7 Å²	123.7	72%	0.722	82%	0.819	S	S	*	*			cis	143.6	137.8	-3.3	0	0	0	0	0	112.8
47	A	28.6	Very low	28.5	Very low	116 Å²	116	126.1 Å²	126.1	96%	0.959	82%	0.823	S	S	*	*			trans	67.8	157.9	174.1	0	0	0	0	0	118.5
48	G	27.8	Very low	28.5	Very low	85 Å²	85	128.6 Å²	128.6	88%	0.876	82%	0.82	S	S	*	*			trans	109.9	83.4	171.2	0	0	0	0	0	114.9
49	G	27.2	Very low	27.9	Very low	84 Å²	84	130 Å²	130	87%	0.866	82%	0.816	S	S	*	*			trans	-101.1	-179.8	-178.2	0	0	0	0	0	115.4
50	G	27.6	Very low	28	Very low	85 Å²	85	126.2 Å²	126.2	88%	0.876	82%	0.816	S	S	*	*			trans	103.6	155.6	166.6	0	0	0	0	0	115.7
51	G	28.6	Very low	28	Very low	85 Å²	85	120.6 Å²	120.6	88%	0.876	80%	0.802	S	S	*	*			trans	107.3	112.9	169.3	0	0	0	0	0	114.3
52	G	27.6	Very low	28.1	Very low	77 Å²	77	123.7 Å²	123.7	79%	0.794	80%	0.799	S	S	*	*			trans	-92.2	172.9	176.6	0	0	0	0	0	114.5
53	A	30	Very low	28.1	Very low	98 Å²	98	130.5 Å²	130.5	81%	0.81	81%	0.809	S	S	*	*			trans	84	135.9	145.3	0	0	0	0	0	121.1
54	E	30.3	Very low	28	Very low	194 Å²	194	131.4 Å²	131.4	91%	0.907	81%	0.814	S	S	*	*			trans	62.8	141.9	156.7	-60.1	-161.3	122.4	0	0	121.8
55	G	27.7	Very low	28	Very low	80 Å²	80	133.2 Å²	133.2	83%	0.825	83%	0.828	S	S	*	*			trans	177.4	60.1	-174.1	0	0	0	0	0	112.6
56	T	31.7	Very low	27.9	Very low	128 Å²	128	134.2 Å²	134.2	79%	0.785	83%	0.831	S	S	*	*			trans	-78.8	133.4	176.6	43.8	0	0	0	0	112.2
57	K	27.4	Very low	27.8	Very low	210 Å²	210	142.3 Å²	142.3	91%	0.913	84%	0.84	S	S	*	*			trans	-168.8	141	135.6	-108.4	157	-172	173.1	0	116.4
58	K	27.9	Very low	27.6	Very low	159 Å²	159	146.7 Å²	146.7	69%	0.691	84%	0.838	S	S	*	*			trans	-71	167.6	159	-76.3	168.9	153.2	-83.2	0	110.3
59	E	31.1	Very low	27.5	Very low	148 Å²	148	151.6 Å²	151.6	69%	0.692	84%	0.835	S	S	*	*			cis	-168.1	178	-10.2	-111.2	161.7	171.6	0	0	109.1
60	S	27.4	Very low	27.4	Very low	128 Å²	128	156.7 Å²	156.7	90%	0.895	83%	0.833	S	S	*	*			trans	81.1	133.4	163.1	-154.6	0	0	0	0	117.4
61	G	27.4	Very low	27.4	Very low	62 Å²	62	159.8 Å²	159.8	64%	0.639	83%	0.825	S	S	*	*			cis	-176.8	160.1	-3.9	0	0	0	0	0	115.8
62	L	26.5	Very low	27.2	Very low	142 Å²	142	163 Å²	163	74%	0.743	82%	0.821	S	S	*	*			trans	35.2	124.1	163.6	-88.7	68.6	0	0	0	120.3
63	W	25.2	Very low	27.1	Very low	253 Å²	253	165.2 Å²	165.2	96%	0.958	82%	0.815	S	S	*	*				-135.3	130.9	99.6	-85.7	97.7	0	0	0	109.9
64	M	26.9	Very low	26.8	Very low	158 Å²	158	172.1 Å²	172.1	78%	0.778	82%	0.82	S	S	*	*			trans	-109.9	133.8	177.8	-77.8	-137.6	-66.5	0	0	111.6
65	F	25.9	Very low	26.6	Very low	213 Å²	213	168.7 Å²	168.7	93%	0.934	81%	0.812	S	S	*	*			trans	-99.5	139.9	161.6	-103.2	-84.7	0	0	0	112.1	R67	F65-R67 PolarHBondContact O-N 2.86Å; F65-R67 VanDerWaalsContact O-N 3.16Å
66	R	26.1	Very low	26.5	Very low	243 Å²	243	174.2 Å²	174.2	92%	0.917	81%	0.813	S	S	*	*			trans	-84.4	91.8	-156.8	-165.7	177.5	-173.4	-178.7	3.1	112.3	K68	R66-K68 PolarHBondContact O-N 3.42Å
67	R	25.3	Very low	26.1	Very low	240 Å²	240	173.9 Å²	173.9	91%	0.906	82%	0.816	S	S	*	*			trans	-64.3	101.7	-179.7	-160.9	176.2	-167	175.8	4.1	111.6	F65 K69	F65-R67 PolarHBondContact O-N 2.86Å; F65-R67 VanDerWaalsContact O-N 3.16Å; R67-K69 PolarHBondContact O-N 3.07Å
68	K	24.7	Very low	26	Very low	209 Å²	209	168.1 Å²	168.1	91%	0.909	80%	0.802	S	S	*	*			trans	-72.8	93.2	177.4	-145	177	-172.1	-178.4	0	109.4	R66 K70	R66-K68 PolarHBondContact O-N 3.42Å; K68-K70 PolarHBondContact O-N 2.84Å
69	K	25.1	Very low	25.8	Very low	187 Å²	187	166.1 Å²	166.1	81%	0.813	81%	0.808	S	S	*	*			trans	-73.7	89.3	-173.1	-163.5	-176.3	-174.1	-169.7	0	110.9	R67 Q71	R67-K69 PolarHBondContact O-N 3.07Å; K69-Q71 PolarHBondContact O-N 2.85Å
70	K	24.7	Very low	25.6	Very low	192 Å²	192	165.2 Å²	165.2	84%	0.835	80%	0.804	S	S	*	*			trans	-73.1	116.9	157.5	-111.6	-168.6	175.3	-170.1	0	107.2	K68	K68-K70 PolarHBondContact O-N 2.84Å
71	Q	28.5	Very low	25.6	Very low	149 Å²	149	165.4 Å²	165.4	70%	0.696	80%	0.802	S	S	*	*			trans	-80.2	123.6	172.9	-176.6	169.3	-16.1	0	0	108.3	K69	K69-Q71 PolarHBondContact O-N 2.85Å
72	L	24.2	Very low	25.5	Very low	152 Å²	152	168.7 Å²	168.7	80%	0.796	81%	0.805	S	S	*	*			trans	-151.8	110.3	173.6	-104.2	172.1	0	0	0	105.3	R74	L72-R74 PolarHBondContact O-N 2.83Å
73	D	24.6	Very low	25.5	Very low	124 Å²	124	169.3 Å²	169.3	66%	0.663	81%	0.809	S	S	*	*			trans	-69.9	127.7	-175.9	-60.4	-69.6	0	0	0	109.7	V75	D73-V75 PolarHBondContact O-N 2.87Å
74	R	24.3	Very low	25.4	Very low	244 Å²	244	163.4 Å²	163.4	92%	0.921	80%	0.804	S	S	*	*			trans	-83.4	69.6	-174.5	-161.3	175.3	-170.1	178.7	1.2	110	L72	L72-R74 PolarHBondContact O-N 2.83Å
75	V	26.5	Very low	25.3	Very low	122 Å²	122	161.3 Å²	161.3	74%	0.739	80%	0.804	S	S	*	*			trans	-50.9	136.8	172.1	179.9	0	0	0	0	109.3	D73 S77	D73-V75 PolarHBondContact O-N 2.87Å; V75-S77 PolarHBondContact O-N 2.96Å
76	F	24.6	Very low	25.2	Very low	195 Å²	195	156.8 Å²	156.8	86%	0.855	80%	0.799	S	S	*	*			trans	-63.8	121.4	176.4	-73.6	-98.7	0	0	0	109.6	S78	F76-S78 VanDerWaalsContact C-N 3.26Å; F76-S78 PolarHBondContact O-N 2.92Å
77	S	23	Very low	25.3	Very low	121 Å²	121	150.8 Å²	150.8	85%	0.846	79%	0.79	S	S	*	*			trans	-79.5	72.8	-178.1	-178.2	0	0	0	0	111.2	V75 S79	V75-S77 PolarHBondContact O-N 2.96Å; S77-S79 PolarHBondContact O-N 2.93Å; S77-S79 VanDerWaalsContact O-N 3.09Å
78	S	26.4	Very low	25.5	Very low	89 Å²	89	144.8 Å²	144.8	62%	0.622	78%	0.781	S	S	*	*			trans	-66.1	102.9	167.8	52.8	0	0	0	0	109.8	F76 Q80	F76-S78 VanDerWaalsContact C-N 3.26Å; F76-S78 PolarHBondContact O-N 2.92Å; S78-Q80 PolarHBondContact O-N 3.23Å
79	S	24.3	Very low	25.6	Very low	117 Å²	117	139.2 Å²	139.2	82%	0.818	77%	0.774	S	S	*	*			trans	-76.1	61.6	174.5	57.3	0	0	0	0	111.8	S77	S77-S79 PolarHBondContact O-N 2.93Å; S77-S79 VanDerWaalsContact O-N 3.09Å
80	Q	26.3	Very low	25.8	Very low	130 Å²	130	136.1 Å²	136.1	61%	0.607	77%	0.773	S	S	*	*			trans	-70.3	133.9	159.2	-69.9	176.7	-27.2	0	0	108.8	S78 N82	S78-Q80 PolarHBondContact O-N 3.23Å; Q80-N82 PolarHBondContact O-N 3.48Å; Q80-N82 VanDerWaalsContact O-N 3.08Å
81	P	26.5	Very low	25.9	Very low	131 Å²	131	137.1 Å²	137.1	85%	0.851	78%	0.778	S	S	*	*			trans	-72.4	94.4	157.5	30.4	-30	0	0	0	108
82	N	26.2	Very low	25.8	Very low	131 Å²	131	139.3 Å²	139.3	70%	0.701	79%	0.788	S	S	*	*			trans	-68.5	141.6	173.7	-99.4	-57.5	0	0	0	110.9	Q80	Q80-N82 PolarHBondContact O-N 3.48Å; Q80-N82 VanDerWaalsContact O-N 3.08Å
83	L	26.2	Very low	25.9	Very low	156 Å²	156	142.6 Å²	142.6	82%	0.817	79%	0.79	S	S	*	*			trans	-63.8	144.4	-177.9	-67.7	137.2	0	0	0	111.5
84	C	23.8	Very low	26	Very low	128 Å²	128	143.9 Å²	143.9	87%	0.865	80%	0.797	S	S	*	*			trans	-131.8	127	152	-84.3	0	0	0	0	107.7
85	C	24.6	Very low	26.2	Very low	114 Å²	114	141.2 Å²	141.2	77%	0.77	79%	0.792	S	S	*	*			trans	-79.5	142.3	-167.1	-55.6	0	0	0	0	112.6
86	S	23.3	Very low	26.1	Very low	119 Å²	119	143.6 Å²	143.6	83%	0.832	80%	0.8	S	S	*	*			trans	-130.8	67.7	156.8	46.5	0	0	0	0	109.3
87	T	28.6	Very low	26.2	Very low	117 Å²	117	138.9 Å²	138.9	72%	0.718	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-64.6	126.5	174.5	-43.5	0	0	0	0	109.4	A89	T87-A89 PolarHBondContact O-N 3.34Å
88	P	28.5	Very low	26.4	Very low	113 Å²	113	138.3 Å²	138.3	73%	0.734	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-65.7	135.2	169.7	28.5	-33.3	0	0	0	109.2
89	A	27.3	Very low	26.5	Very low	92 Å²	92	137.8 Å²	137.8	76%	0.76	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-67	128.8	-178.9	0	0	0	0	0	110.8	T87 F91	T87-A89 PolarHBondContact O-N 3.34Å; A89-F91 PolarHBondContact O-N 3.11Å
90	P	28.8	Very low	26.5	Very low	122 Å²	122	136.4 Å²	136.4	79%	0.792	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-69.4	129.1	169.5	29	-32.4	0	0	0	109.3	E92	P90-E92 PolarHBondContact O-N 3.31Å
91	F	27.1	Very low	26.5	Very low	214 Å²	214	133.9 Å²	133.9	94%	0.939	82%	0.821	S	S	*	*			trans	-75.6	107	163.1	-109.5	-92.5	0	0	0	108.1	A89	A89-F91 PolarHBondContact O-N 3.11Å
92	E	25.9	Very low	26.5	Very low	195 Å²	195	135.7 Å²	135.7	91%	0.911	82%	0.824	S	S	*	*			trans	-140.2	157.5	141.2	-143.5	161	-147.9	0	0	112.2	P90	P90-E92 PolarHBondContact O-N 3.31Å
93	R	26.8	Very low	26.7	Very low	221 Å²	221	133 Å²	133	83%	0.834	82%	0.819	S	S	*	*			trans	-110.3	129	-164.6	165.7	-152.3	-67.3	129.1	-4.4	107.8
94	D	26.8	Very low	26.6	Very low	151 Å²	151	131.8 Å²	131.8	81%	0.807	82%	0.819	S	S	*	*			trans	-143.1	164.2	152.5	-135.2	-25.3	0	0	0	115
95	K	28.5	Very low	26.8	Very low	187 Å²	187	130.3 Å²	130.3	81%	0.813	81%	0.81	S	S	*	*			trans	-85.2	161.6	-172.7	-58.8	167	-175.7	167.6	0	111.2
96	L	25.3	Very low	26.7	Very low	173 Å²	173	134 Å²	134	91%	0.906	82%	0.816	S	S	*	*			trans	-136.5	156.8	167.1	-106.1	170.4	0	0	0	111.6
97	A	26.9	Very low	26.8	Very low	96 Å²	96	135.9 Å²	135.9	79%	0.793	81%	0.814	S	S	*	*			trans	67.2	77.3	164.6	0	0	0	0	0	118.7
98	A	26.9	Very low	26.7	Very low	108 Å²	108	135.4 Å²	135.4	89%	0.893	82%	0.815	S	S	*	*				-120.5	148.5	106.7	0	0	0	0	0	107
99	G	26.9	Very low	26.5	Very low	78 Å²	78	134.7 Å²	134.7	80%	0.804	81%	0.813	S	S	*	*			cis	-149.4	177.6	-9.8	0	0	0	0	0	108.7
100	G	26.2	Very low	26.4	Very low	88 Å²	88	137.1 Å²	137.1	91%	0.907	81%	0.813	S	S	*	*			trans	-82.4	161.7	-174.8	0	0	0	0	0	115
101	G	26	Very low	26.3	Very low	78 Å²	78	135.8 Å²	135.8	80%	0.804	81%	0.807	S	S	*	*			trans	159.6	88.3	171.2	0	0	0	0	0	116.1
102	D	26.3	Very low	26.3	Very low	169 Å²	169	134.3 Å²	134.3	90%	0.904	80%	0.803	S	S	*	*			trans	44	149.1	144.7	-89.8	-40.3	0	0	0	126.8
103	A	29.1	Very low	26.3	Very low	73 Å²	73	128.9 Å²	128.9	60%	0.603	79%	0.791	S	S	*	*			trans	60.9	94.5	137.4	0	0	0	0	0	123.4
104	T	25.5	Very low	26.2	Very low	131 Å²	131	126.9 Å²	126.9	80%	0.804	80%	0.796	S	S	*	*				57.3	145.6	121.2	54.1	0	0	0	0	124.9
105	S	26.6	Very low	26.1	Very low	98 Å²	98	123 Å²	123	69%	0.685	79%	0.791	S	S	*	*			trans	78.5	121.8	145.4	52	0	0	0	0	121.9
106	E	23.9	Very low	25.9	Very low	190 Å²	190	120.1 Å²	120.1	89%	0.888	79%	0.79	S	S	*	*			trans	66.3	161	143.6	-67	179.2	-174.3	0	0	119.5
107	M	25.4	Very low	26.1	Very low	160 Å²	160	117.3 Å²	117.3	79%	0.788	78%	0.784	S	S	*	*			cis	175.1	147.2	-32	176.5	62.4	121.2	0	0	105.8
108	S	25.2	Very low	26	Very low	107 Å²	107	118.4 Å²	118.4	75%	0.748	79%	0.786	S	S	*	*			trans	64.1	161.1	169.4	73.4	0	0	0	0	115.9
109	S	25.9	Very low	26	Very low	97 Å²	97	116.7 Å²	116.7	68%	0.678	78%	0.779	S	S	*	*			cis	-167.7	160.2	-24.9	46.9	0	0	0	0	110.6
110	D	24.9	Very low	26.2	Very low	144 Å²	144	117.5 Å²	117.5	77%	0.77	78%	0.778	S	S	*	*			trans	55.9	122.6	142.9	-73.6	24.3	0	0	0	123.7
111	S	26.7	Very low	26.3	Very low	94 Å²	94	120 Å²	120	66%	0.657	78%	0.776	S	S	*	*				88.7	123.2	123.3	-69.8	0	0	0	0	123.5
112	Q	25.9	Very low	26.3	Very low	183 Å²	183	120 Å²	120	86%	0.855	78%	0.775	S	S	*	*			trans	81.8	114.5	132.4	-73.3	-172.5	7.9	0	0	123.1
113	A	26.2	Very low	26.3	Very low	81 Å²	81	117.7 Å²	117.7	67%	0.669	77%	0.773	S	S	*	*				102.3	134.4	111.1	0	0	0	0	0	122.9
114	L	24.2	Very low	26.4	Very low	179 Å²	179	121.2 Å²	121.2	94%	0.937	78%	0.775	S	S	*	*			trans	59.5	145.8	152.2	-87.4	75.2	0	0	0	120.6
115	G	24.5	Very low	27.1	Very low	68 Å²	68	120.9 Å²	120.9	70%	0.701	78%	0.775	S	S	*	*			trans	167.9	36.3	170.5	0	0	0	0	0	122.1
116	T	25.1	Very low	27	Very low	128 Å²	128	122.8 Å²	122.8	79%	0.785	77%	0.773	S	S	*	*			trans	18.9	134.7	152	52.5	0	0	0	0	123.6
117	S	29.3	Very low	27.3	Very low	113 Å²	113	120.9 Å²	120.9	79%	0.79	77%	0.768	S	S	*	*			trans	73.1	160	138.7	77	0	0	0	0	119.6
118	S	25.9	Very low	27.3	Very low	119 Å²	119	119.3 Å²	119.3	83%	0.832	77%	0.767	S	S	*	*			cis	-170.2	168.4	-17.4	45.9	0	0	0	0	111.8
119	G	26.4	Very low	27.4	Very low	73 Å²	73	117.7 Å²	117.7	75%	0.753	76%	0.76	S	S	*	*			trans	104.1	131	168.2	0	0	0	0	0	114.6
120	A	29.9	Very low	27.5	Very low	94 Å²	94	122.6 Å²	122.6	78%	0.777	77%	0.772	S	S	*	*			cis	90.5	137	43.2	0	0	0	0	0	113
121	T	29.1	Very low	27.5	Very low	141 Å²	141	119.7 Å²	119.7	87%	0.865	78%	0.776	S	S	*	*			cis	-167.7	155.6	-2.6	13.2	0	0	0	0	111.7
122	G	26.5	Very low	27.4	Very low	77 Å²	77	120.7 Å²	120.7	79%	0.794	78%	0.783	S	S	*	*			trans	84.7	164.3	158	0	0	0	0	0	117.6
123	S	26.2	Very low	28	Very low	122 Å²	122	117.1 Å²	117.1	85%	0.853	78%	0.776	S	S	*	*			cis	-163.3	157.7	-11.7	51.7	0	0	0	0	111.8
124	K	30.7	Very low	28	Very low	147 Å²	147	123.1 Å²	123.1	64%	0.639	79%	0.787	S	S	*	*			trans	-89.7	156.1	-178.6	-148.9	-167.3	-179	-172.4	0	112.1	E126	K124-E126 WeakPolarHBondContact CE-OE1 3.12Å; K124-E126 IonicContact NZ-OE1 3.72Å; K124-E126 PolarHBondContact NZ-OE1 2.72Å; K124-E126 IonicContact NZ-OE2 2.68Å; K124-E126 PolarHBondContact NZ-OE2 2.92Å
125	P	40.8	Very low	28.1	Very low	123 Å²	123	122.4 Å²	122.4	80%	0.799	78%	0.783	S	S	*	*				-142.6	-161.3	112.4	39.8	-25.2	0	0	0	114.2
126	E	24.2	Very low	28.5	Very low	139 Å²	139	124.7 Å²	124.7	65%	0.65	79%	0.786	S	S	*	*			trans	-159.6	-173.1	-160.1	-165.4	152.6	-120.7	0	0	112.6	K124	K124-E126 WeakPolarHBondContact CE-OE1 3.12Å; K124-E126 IonicContact NZ-OE1 3.72Å; K124-E126 PolarHBondContact NZ-OE1 2.72Å; K124-E126 IonicContact NZ-OE2 2.68Å; K124-E126 PolarHBondContact NZ-OE2 2.92Å
127	L	29.6	Very low	28.5	Very low	150 Å²	150	124.6 Å²	124.6	79%	0.785	79%	0.785	S	S	*	*			trans	76.6	154	-178.5	-67.3	81	0	0	0	115.2
128	T	25.5	Very low	28.2	Very low	126 Å²	126	123.7 Å²	123.7	77%	0.773	78%	0.778	S	S	*	*			cis	-168.4	175.1	-12.2	27.6	0	0	0	0	107.7
129	A	27.8	Very low	28.1	Very low	73 Å²	73	126.4 Å²	126.4	60%	0.603	78%	0.778	S	S	*	*			cis	-174.8	179.5	-37.4	0	0	0	0	0	110.2
130	H	28.6	Very low	28	Very low	201 Å²	201	129.8 Å²	129.8	93%	0.931	78%	0.778	S	S	*	*			trans	73.5	145.8	170.9	-62.6	-84.2	0	0	0	120.6
131	G	24.1	Very low	27.7	Very low	83 Å²	83	132.3 Å²	132.3	86%	0.856	78%	0.775	S	S	*	*			trans	139.2	96.4	154.4	0	0	0	0	0	117.3
132	S	25.6	Very low	27.5	Very low	115 Å²	115	135.1 Å²	135.1	80%	0.804	78%	0.781	S	S	*	*			trans	-133.9	146.8	162.2	61.6	0	0	0	0	109.4
133	P	38.9	Very low	27.3	Very low	108 Å²	108	135.7 Å²	135.7	70%	0.701	77%	0.772	S	S	*	*				-158.9	163.5	98.9	40.7	-21.6	0	0	0	118.7
134	K	24.9	Very low	27.2	Very low	206 Å²	206	138.3 Å²	138.3	90%	0.896	77%	0.771	S	S	*	*			trans	72.4	136.9	146.5	-72.8	163.3	-177.1	177.9	0	122.5
135	L	27.1	Very low	26.9	Very low	164 Å²	164	138.2 Å²	138.2	86%	0.859	77%	0.773	S	S	*	*			trans	-79.4	161	167.8	-80.3	160.9	0	0	0	111.3
136	P	32.5	Very low	26.1	Very low	117 Å²	117	139.9 Å²	139.9	76%	0.76	77%	0.767	S	S	*	*				-158.3	156.1	73.8	42.5	-20.8	0	0	0	121.2
137	V	24.4	Very low	26.3	Very low	125 Å²	125	138.1 Å²	138.1	76%	0.758	77%	0.771	S	S	*	*			trans	64.8	108.2	133	176.5	0	0	0	0	122.7
138	S	24.5	Very low	26.3	Very low	94 Å²	94	136.1 Å²	136.1	66%	0.657	77%	0.769	S	S	*	*			trans	77.3	147.5	136.9	77.7	0	0	0	0	124.7
139	Q	23.2	Very low	26.5	Very low	176 Å²	176	134.6 Å²	134.6	82%	0.822	76%	0.763	S	S	*	*			trans	73.4	148.4	145	-133	161.2	-9.3	0	0	118.6
140	L	23.9	Very low	26.6	Very low	145 Å²	145	139.7 Å²	139.7	76%	0.759	78%	0.78	S	S	*	*				-167.3	159.2	-51.5	-126	163.5	0	0	0	107.7
141	M	24.4	Very low	26.4	Very low	146 Å²	146	133.1 Å²	133.1	72%	0.719	77%	0.766	S	S	*	*			trans	63.4	127.2	165.1	-62.7	-166.9	165.7	0	0	120	C143	M141-C143 HydrophobicContact CB-CB 4.45Å; M141-C143 HydrophobicContact SD-CB 4.01Å
142	M	23.7	Very low	26.6	Very low	200 Å²	200	135.1 Å²	135.1	99%	0.985	77%	0.767	S	S	*	*				-102.9	147.1	117.9	-95.8	-165.2	167.5	0	0	109
143	C	23.7	Very low	27.4	Very low	90 Å²	90	135.1 Å²	135.1	61%	0.608	76%	0.764	S	S	*	*			trans	-154.6	125.7	-176.3	-171.6	0	0	0	0	111	M141	M141-C143 HydrophobicContact CB-CB 4.45Å; M141-C143 HydrophobicContact SD-CB 4.01Å
144	Q	23.7	Very low	26.7	Very low	177 Å²	177	135.5 Å²	135.5	83%	0.827	77%	0.768	S	S	*	*			trans	-144.5	121.4	160.6	-91.5	174.8	-8	0	0	107
145	Q	24.4	Very low	26.6	Very low	144 Å²	144	134.5 Å²	134.5	67%	0.673	76%	0.764	S	S	*	*				86.2	133.2	62.9	-80.1	-167.4	30.9	0	0	112.7
146	K	24.2	Very low	26.5	Very low	159 Å²	159	133.1 Å²	133.1	69%	0.691	75%	0.753	S	S	*	*			cis	-171.5	154.1	-6	-142.5	176.7	-168.8	174.1	0	113.3
147	S	27	Very low	26.1	Very low	102 Å²	102	135.5 Å²	135.5	71%	0.713	75%	0.752	S	S	*	*			trans	60.6	152.6	142.9	49.1	0	0	0	0	121.7
148	S	30.6	Very low	26.1	Very low	107 Å²	107	137.1 Å²	137.1	75%	0.748	76%	0.755	S	S	*	*			cis	-159.2	-149.8	-13.2	46.2	0	0	0	0	108.7
149	S	29	Very low	26.2	Very low	94 Å²	94	138.7 Å²	138.7	66%	0.657	76%	0.761	S	S	*	*			cis	-164.3	-175.2	19.9	-36	0	0	0	0	111.3
150	L	30.1	Very low	26.2	Very low	181 Å²	181	136.7 Å²	136.7	95%	0.948	76%	0.76	S	S	*	*			trans	74.1	164	173.1	-54.4	-177.3	0	0	0	115.4
151	G	25	Very low	26.6	Very low	63 Å²	63	137 Å²	137	65%	0.649	76%	0.763	S	S	*	*			cis	-140.5	-60.6	5.8	0	0	0	0	0	116.6
152	S	27.6	Very low	27.3	Very low	125 Å²	125	135.6 Å²	135.6	87%	0.874	76%	0.764	S	S	*	*			trans	66.5	177.4	-177.6	-61.1	0	0	0	0	113.9
153	P	42.9	Very low	27.3	Very low	114 Å²	114	130.5 Å²	130.5	74%	0.74	75%	0.754	S	S	*	*			cis	-138.9	-162.1	10.1	44.7	-25	0	0	0	117.4
154	C	24	Very low	27.4	Very low	117 Å²	117	130.7 Å²	130.7	79%	0.791	76%	0.762	S	S	*	*			trans	81.8	144.8	166.7	-72.2	0	0	0	0	118.2
155	F	22.7	Very low	27.4	Very low	185 Å²	185	130.5 Å²	130.5	81%	0.811	76%	0.761	S	S	*	*			cis	-147.1	-139.2	-11.8	-159.1	-120.3	0	0	0	113.2
156	E	25.1	Very low	27.5	Very low	135 Å²	135	131.3 Å²	131.3	63%	0.631	77%	0.769	S	S	*	*			trans	-132.6	133	-152.3	178	167	-155	0	0	116.4
157	K	24.9	Very low	27.6	Very low	167 Å²	167	127.2 Å²	127.2	73%	0.726	77%	0.773	S	S	*	*			trans	21.7	131.5	138.6	-168.2	-163.6	-175.2	-175.9	0	121.3
158	L	24.3	Very low	27.5	Very low	158 Å²	158	125.8 Å²	125.8	83%	0.827	77%	0.774	S	S	*	*				-177.8	179.8	118.2	-99.8	171.2	0	0	0	115.2
159	V	25.4	Very low	27.4	Very low	128 Å²	128	129.3 Å²	129.3	78%	0.776	78%	0.779	S	S	*	*			trans	-107.5	151.3	-167.9	170.2	0	0	0	0	111.8
160	V	24.8	Very low	27.3	Very low	134 Å²	134	132.9 Å²	132.9	81%	0.812	79%	0.785	S	S	*	*			trans	-174.9	138.1	142.2	138.3	0	0	0	0	112.8
161	D	31.3	Very low	27.2	Very low	152 Å²	152	130.7 Å²	130.7	81%	0.813	77%	0.77	S	S	*	*			trans	-120.6	162.2	146.8	-77.2	-60.4	0	0	0	105.4
162	P	39.5	Very low	27.3	Very low	115 Å²	115	133.8 Å²	133.8	75%	0.747	77%	0.767	S	S	*	*			cis	-147.3	-177.1	21.6	44.9	-25.3	0	0	0	118.1
163	A	23.5	Very low	27.3	Very low	93 Å²	93	134.5 Å²	134.5	77%	0.769	76%	0.761	S	S	*	*			trans	69.1	157	141.1	0	0	0	0	0	124.7
164	A	25.5	Very low	26.6	Very low	95 Å²	95	138.4 Å²	138.4	79%	0.785	76%	0.761	S	S	*	*			trans	74.9	146.2	162.2	0	0	0	0	0	119.2
165	E	24.6	Very low	26.9	Very low	173 Å²	173	140.4 Å²	140.4	81%	0.808	76%	0.756	S	S	*	*			cis	-165.6	163.6	-18.8	-122.8	-176.6	176.4	0	0	112.3
166	L	26.1	Very low	27.1	Very low	160 Å²	160	138.3 Å²	138.3	84%	0.838	75%	0.753	S	S	*	*			trans	57.3	151.2	167.8	-82.3	82.1	0	0	0	120.1
167	G	25	Very low	27.2	Very low	74 Å²	74	136.7 Å²	136.7	76%	0.763	76%	0.763	S	S	*	*			cis	174	166.3	-6.4	0	0	0	0	0	114.6
168	G	25.2	Very low	27.5	Very low	72 Å²	72	134.3 Å²	134.3	74%	0.742	77%	0.767	S	S	*	*			trans	93.4	143.3	171.3	0	0	0	0	0	116.8
169	E	28.3	Very low	27.6	Very low	180 Å²	180	133.9 Å²	133.9	84%	0.841	77%	0.766	S	S	*	*			cis	-167.4	145.6	-12.5	-128.8	156.6	-155.2	0	0	110.5
170	E	27.2	Very low	27.8	Very low	169 Å²	169	133.2 Å²	133.2	79%	0.79	77%	0.767	S	S	*	*			trans	50.3	151.8	155.1	-67.1	-174.7	158.7	0	0	122.7
171	E	28.1	Very low	27.9	Very low	136 Å²	136	130.2 Å²	130.2	64%	0.636	76%	0.763	S	S	*	*			cis	-154.2	154.2	-5.1	-124.3	-149.4	147.4	0	0	113
172	Q	27.2	Very low	27.8	Very low	127 Å²	127	129.8 Å²	129.8	59%	0.593	76%	0.759	S	S	*	*			trans	31.5	144.5	151.2	-62.1	-162.1	50.2	0	0	123
173	L	27	Very low	27.2	Very low	141 Å²	141	131.4 Å²	131.4	74%	0.738	76%	0.761	S	S	*	*				-168.7	120.5	68.4	-159.5	87.9	0	0	0	115.8
174	R	28.9	Very low	27.5	Very low	195 Å²	195	133.6 Å²	133.6	74%	0.736	76%	0.759	S	S	*	*			trans	51.7	152	138.3	-67.2	-171.3	177.4	-145.7	0	123.9
175	K	30	Very low	27.6	Very low	160 Å²	160	135.9 Å²	135.9	70%	0.696	76%	0.762	S	S	*	*			cis	-175.5	172.7	-23.1	-149	-179.7	174.7	-171.2	0	110.5
176	N	27.6	Very low	27.8	Very low	141 Å²	141	130.6 Å²	130.6	75%	0.754	75%	0.754	S	S	*	*			trans	81.4	145.1	158.8	-59.2	-13.4	0	0	0	117.5
177	A	27.3	Very low	28.5	Very low	100 Å²	100	128.9 Å²	128.9	83%	0.826	75%	0.753	S	S	*	*			cis	-162.7	170.4	-17.2	0	0	0	0	0	110.5
178	S	30.5	Very low	28.6	Very low	117 Å²	117	130.2 Å²	130.2	82%	0.818	75%	0.75	S	S	*	*			trans	-128.9	161.3	178.4	56	0	0	0	0	112.1
179	D	27	Very low	28.8	Very low	150 Å²	150	134.1 Å²	134.1	80%	0.802	75%	0.754	S	S	*	*			trans	127.9	151.7	145.4	-160.7	26.8	0	0	0	116.7
180	S	28.9	Very low	29	Very low	114 Å²	114	129.5 Å²	129.5	80%	0.797	75%	0.747	S	S	*	*			trans	67.4	150.5	178	75.3	0	0	0	0	118
181	G	26.8	Very low	29.1	Very low	70 Å²	70	131.1 Å²	131.1	72%	0.722	76%	0.755	S	S	*	*			cis	170.4	109.7	-10.1	0	0	0	0	0	115.2
182	I	29	Very low	29.2	Very low	143 Å²	143	130.4 Å²	130.4	73%	0.733	77%	0.765	S	S	*	*			trans	34.4	119	153.1	-52.6	173.4	0	0	0	120.3	I184	I182-I184 HydrophobicContact CG2-CD1 4.01Å; I182-I184 HydrophobicContact CG2-CG1 4.22Å
183	N	27.9	Very low	29.3	Very low	150 Å²	150	132.8 Å²	132.8	80%	0.802	78%	0.776	S	S	*	*			trans	-177.7	105.5	134.4	-91.2	-40.6	0	0	0	108.3
184	I	28.5	Very low	29.9	Very low	139 Å²	139	132.1 Å²	132.1	71%	0.713	78%	0.78	S	S	*	*				62.7	101.1	78.7	-58	174.7	0	0	0	113.9	I182	I182-I184 HydrophobicContact CG2-CD1 4.01Å; I182-I184 HydrophobicContact CG2-CG1 4.22Å
185	V	29.6	Very low	30	Very low	142 Å²	142	131.8 Å²	131.8	86%	0.861	79%	0.786	S	S	*	*				-171.1	135.1	119.8	149.2	0	0	0	0	107.8
186	G	28.1	Very low	30.1	Very low	62 Å²	62	131.8 Å²	131.8	64%	0.639	79%	0.793	S	S	*	*			trans	-123.5	-156.1	172	0	0	0	0	0	110.8
187	P	41.3	Very low	30.6	Very low	124 Å²	124	130.2 Å²	130.2	81%	0.805	79%	0.791	S	S	*	*			cis	-88.7	-155.7	-0.6	27.1	-11.5	0	0	0	110.7
188	S	26.9	Very low	31.2	Very low	102 Å²	102	130.8 Å²	130.8	71%	0.713	79%	0.788	S	S	*	*			cis	-163.5	167	17.4	-21.1	0	0	0	0	109.6
189	N	29.2	Very low	32.1	Very low	154 Å²	154	127.2 Å²	127.2	82%	0.824	76%	0.761	S	S	*	*			cis	-157.3	169.8	-3.5	-154.9	2	0	0	0	111
190	A	31.8	Very low	33.7	Very low	84 Å²	84	123.2 Å²	123.2	69%	0.694	75%	0.749	S	S	*	*			trans	35.9	97.9	154.1	0	0	0	0	0	119.5
191	E	28.6	Very low	35.8	Very low	203 Å²	203	121.3 Å²	121.3	95%	0.949	73%	0.729	S	S	*	*			trans	-76.2	159.6	162.3	-66.9	175.5	111.5	0	0	112.5
192	S	30.2	Very low	38.3	Very low	121 Å²	121	119.4 Å²	119.4	85%	0.846	70%	0.7	S	S	*	*			trans	-133.5	163.1	165.1	59	0	0	0	0	110.6
193	Q	30.5	Very low	40.9	Very low	177 Å²	177	115.6 Å²	115.6	83%	0.827	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-66.8	154.5	-161	-79.4	178.9	-26.7	0	0	115.3
194	P	38.7	Very low	43.6	Very low	127 Å²	127	108.5 Å²	108.5	83%	0.825	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-71.5	133.3	-167.8	28	-36.1	0	0	0	113.6
195	H	30.9	Very low	46.2	Very low	187 Å²	187	102.8 Å²	102.8	87%	0.866	61%	0.612	S	S	*	*	P	Polyproline II helix	trans	-80.6	147.5	167	-81.8	-100.1	0	0	0	111.6
196	L	32.9	Very low	49	Very low	160 Å²	160	96 Å²	96	84%	0.838	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-62.1	149	171.7	-72.8	159.5	0	0	0	111.3	C198	L196-C198 PolarHBondContact O-N 3.18Å
197	P	38.3	Very low	51.8	Low	109 Å²	109	94.9 Å²	94.9	71%	0.708	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-66.4	126.8	176.5	28	-34.1	0	0	0	111
198	C	38.8	Very low	54.2	Low	112 Å²	112	89 Å²	89	76%	0.757	51%	0.513	S	S	*	.	P	Polyproline II helix	trans	-69	135.2	171.6	-70.7	0	0	0	0	110.7	L196 A200	L196-C198 PolarHBondContact O-N 3.18Å; C198-A200 PolarHBondContact O-N 3.1Å
199	P	50.1	Low	57.2	Low	41 Å²	41	86.2 Å²	86.2	27%	0.266	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-54.9	124.8	167	-24.8	33.2	0	0	0	110.8	M201 Y202 P324	P199-M201 VanDerWaalsContact C-N 3.26Å; P199-M201 PolarHBondContact O-N 2.53Å; P199-Y202 HydrophobicContact CB-CE1 4.12Å; P199-Y202 HydrophobicContact CG-CE1 4.2Å; P199-P324 HydrophobicContact CB-CB 3.92Å; P199-P324 HydrophobicContact CG-CB 3.81Å
200	A	60.2	Low	60.1	Low	67 Å²	67	82.4 Å²	82.4	55%	0.554	46%	0.464	S	S	*	.	S	Bend	trans	-67.3	-25.1	-173.5	0	0	0	0	0	113.7	C198	C198-A200 PolarHBondContact O-N 3.1Å
201	M	72.7	Confident	62.9	Low	74 Å²	74	78.5 Å²	78.5	37%	0.365	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	152.5	173.7	-68.4	-172.5	171.8	0	0	111.2	P199 L257 K325	P199-M201 VanDerWaalsContact C-N 3.26Å; P199-M201 PolarHBondContact O-N 2.53Å; M201-L257 HydrophobicContact SD-CD2 3.63Å; M201-L257 HydrophobicContact SD-CG 4.36Å; M201-K325 WeakPolarHBondContact O-CB 3.15Å; M201-K325 PolarHBondContact O-N 3.19Å
202	Y	80	Confident	65.9	Low	30 Å²	30	72.1 Å²	72.1	12%	0.118	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	146.3	174.5	-58.9	-94.3	0	0	0	110.6	P199 L257 V258 L261 H293 L322 S323 P324	P199-Y202 HydrophobicContact CB-CE1 4.12Å; P199-Y202 HydrophobicContact CG-CE1 4.2Å; Y202-L257 CarbonylContact O-C 3.59Å; Y202-L257 WeakPolarHBondContact O-CA 3.4Å; Y202-L257 WeakPolarHBondContact O-CD1 3.37Å; Y202-V258 PolarHBondContact N-O 3.45Å; Y202-V258 PolarHBondContact O-N 3.49Å; Y202-L261 HydrophobicContact CD1-CD1 4.24Å; Y202-L261 HydrophobicContact CD1-CD2 4.19Å; Y202-L261 HydrophobicContact CD1-CG 4.5Å; Y202-L261 HydrophobicContact CD2-CD1 4.41Å; Y202-L261 HydrophobicContact CD2-CD2 3.82Å; Y202-L261 HydrophobicContact CD2-CG 3.93Å; Y202-L261 HydrophobicContact CE1-CD1 3.93Å; Y202-L261 HydrophobicContact CE1-CG 4.47Å; Y202-L261 HydrophobicContact CE2-CD1 4.13Å; Y202-L261 HydrophobicContact CE2-CD2 4.32Å; Y202-L261 HydrophobicContact CE2-CG 3.92Å; Y202-L261 HydrophobicContact CG-CD1 4.48Å; Y202-L261 HydrophobicContact CG-CD2 3.76Å; Y202-L261 HydrophobicContact CG-CG 4.24Å; Y202-H293 AromaticContact CD1-NE2 3.86Å; Y202-H293 AromaticContact CE1-CD2 3.87Å; Y202-H293 AromaticContact CE1-NE2 3.34Å; Y202-H293 VanDerWaalsContact CE1-NE2 3.34Å; Y202-H293 WeakPolarHBondContact CE1-NE2 3.36Å; Y202-L322 HydrophobicContact CD1-CD1 4.37Å; Y202-L322 HydrophobicContact CG-CD1 4.42Å; Y202-S323 WeakPolarHBondContact CA-O 3.1Å; Y202-P324 HydrophobicContact CD1-CB 4.28Å; Y202-P324 HydrophobicContact CE1-CB 4.26Å
203	Q	84.3	Confident	68.7	Low	63 Å²	63	70.9 Å²	70.9	29%	0.294	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	119.4	170.2	179.9	179.2	-58.9	0	0	109	I255 L257 S323	Q203-I255 HydrophobicContact CG-CG2 3.53Å; Q203-L257 HydrophobicContact CB-CD1 4.18Å; Q203-S323 PolarHBondContact N-O 3.15Å; Q203-S323 PolarHBondContact O-N 2.9Å; Q203-S323 PolarHBondContact O-OG 3.03Å
204	L	83.3	Confident	71.4	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	109.3	-176.2	174.7	69.1	0	0	0	108.7	I206 L256 V258 L288 L291 V320 L322	L204-I206 HydrophobicContact CD2-CD1 4.07Å; L204-I206 HydrophobicContact CG-CD1 4.14Å; L204-I206 HydrophobicContact CG-CG1 4.1Å; L204-L256 HydrophobicContact CB-CB 4.28Å; L204-L256 HydrophobicContact CD2-CD1 4.24Å; L204-L256 PolarHBondContact N-O 3.03Å; L204-L256 PolarHBondContact O-N 3.21Å; L204-V258 HydrophobicContact CB-CG2 4.08Å; L204-V258 HydrophobicContact CD2-CG2 4.06Å; L204-L288 HydrophobicContact CD1-CD2 4.1Å; L204-L288 HydrophobicContact CD2-CD1 3.86Å; L204-L288 HydrophobicContact CD2-CD2 3.55Å; L204-L288 HydrophobicContact CD2-CG 4.38Å; L204-L291 HydrophobicContact CD1-CD1 3.81Å; L204-V320 HydrophobicContact CD1-CG1 3.44Å; L204-V320 VanDerWaalsContact CD1-CG1 3.44Å; L204-L322 HydrophobicContact CB-CD1 4.29Å; L204-L322 HydrophobicContact CD1-CD1 4.17Å
205	D	84.1	Confident	73.6	Confident	19 Å²	19	57.2 Å²	57.2	10%	0.102	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	120.6	-178	-174.5	13.3	0	0	0	109.5	R253 I255 V320 T321	D205-R253 VanDerWaalsContact OD1-CG 3.31Å; D205-R253 WeakPolarHBondContact OD1-CG 3.43Å; D205-R253 IonicContact OD1-CZ 3.37Å; D205-R253 IonicContact OD1-NE 3.68Å; D205-R253 PolarHBondContact OD1-NE 2.88Å; D205-R253 IonicContact OD1-NH2 3.23Å; D205-R253 IonicContact OD2-CZ 2.72Å; D205-R253 VanDerWaalsContact OD2-CZ 3.25Å; D205-R253 IonicContact OD2-NE 2.7Å; D205-R253 PolarHBondContact OD2-NE 2.81Å; D205-R253 VanDerWaalsContact OD2-NE 3.08Å; D205-R253 IonicContact OD2-NH2 2.67Å; D205-R253 PolarHBondContact OD2-NH2 2.9Å; D205-I255 HydrophobicContact CB-CG1 4.32Å; D205-I255 WeakPolarHBondContact OD1-CG1 3.37Å; D205-V320 CarbonylContact O-C 3.53Å; D205-V320 WeakPolarHBondContact O-CA 3.03Å; D205-T321 PolarHBondContact N-O 3.02Å; D205-T321 PolarHBondContact O-N 3.5Å
206	I	87.6	Confident	76.2	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	126.1	-172.9	-58.7	160.3	0	0	0	108.8	L204 F229 R253 V254 L256 L265 L318 T319 V320	L204-I206 HydrophobicContact CD2-CD1 4.07Å; L204-I206 HydrophobicContact CG-CD1 4.14Å; L204-I206 HydrophobicContact CG-CG1 4.1Å; I206-F229 HydrophobicContact CB-CE2 4.41Å; I206-F229 HydrophobicContact CD1-CD2 4.29Å; I206-F229 HydrophobicContact CD1-CE2 4.31Å; I206-F229 HydrophobicContact CG2-CE2 3.75Å; I206-F229 HydrophobicContact CG2-CZ 4Å; I206-R253 CarbonylContact O-C 3.49Å; I206-R253 VanDerWaalsContact O-CA 3.32Å; I206-R253 WeakPolarHBondContact O-CA 3.31Å; I206-V254 HydrophobicContact CB-CG1 4.01Å; I206-V254 PolarHBondContact N-O 3.26Å; I206-V254 PolarHBondContact O-N 3.08Å; I206-L256 HydrophobicContact CD1-CD1 3.65Å; I206-L256 HydrophobicContact CD1-CG 4.21Å; I206-L265 HydrophobicContact CD1-CD1 4.16Å; I206-L265 HydrophobicContact CD1-CD2 3.68Å; I206-L318 HydrophobicContact CG2-CD2 3.59Å; I206-T319 CarbonylContact C-O 3.45Å; I206-T319 WeakPolarHBondContact CA-O 3.11Å; I206-V320 HydrophobicContact CG1-CG1 4.23Å; I206-V320 HydrophobicContact CG1-CG2 4.44Å; I206-V320 HydrophobicContact CG2-CG2 4.43Å
207	V	87.9	Confident	78.6	Confident	39 Å²	39	49.3 Å²	49.3	24%	0.236	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	110.3	167.1	-173.5	0	0	0	0	108.3	K209 E252 R253 L318 T319	V207-K209 HydrophobicContact CG1-CG 4.36Å; V207-K209 PolarHBondContact O-N 3.18Å; V207-E252 WeakPolarHBondContact CA-O 3.18Å; V207-R253 HydrophobicContact CG2-CB 4.19Å; V207-R253 HydrophobicContact CG2-CG 3.96Å; V207-L318 CarbonylContact O-C 3.59Å; V207-L318 VanDerWaalsContact O-CA 3.29Å; V207-L318 WeakPolarHBondContact O-CA 3.13Å; V207-T319 PolarHBondContact N-O 3.12Å; V207-T319 PolarHBondContact O-N 3.11Å
208	L	90.8	Very high	80.4	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	100	168.8	176.1	65.4	0	0	0	108.2	V227 F229 F237 W250 D251 E252 L318	L208-V227 HydrophobicContact CD1-CG2 4.21Å; L208-V227 HydrophobicContact CD2-CB 3.86Å; L208-V227 HydrophobicContact CD2-CG1 4.47Å; L208-V227 HydrophobicContact CD2-CG2 3.8Å; L208-F229 HydrophobicContact CB-CZ 4.26Å; L208-F229 HydrophobicContact CD1-CZ 4.48Å; L208-F237 HydrophobicContact CD2-CE1 4.34Å; L208-W250 HydrophobicContact CD1-CE3 3.82Å; L208-W250 HydrophobicContact CD1-CZ3 4.04Å; L208-W250 HydrophobicContact CD2-CB 4.04Å; L208-W250 HydrophobicContact CD2-CD2 3.75Å; L208-W250 HydrophobicContact CD2-CE3 3.75Å; L208-W250 HydrophobicContact CD2-CG 3.89Å; L208-W250 HydrophobicContact CD2-CZ3 4.41Å; L208-W250 HydrophobicContact CG-CB 4.12Å; L208-W250 HydrophobicContact CG-CD2 4.08Å; L208-W250 HydrophobicContact CG-CE3 3.63Å; L208-W250 HydrophobicContact CG-CG 4.31Å; L208-W250 HydrophobicContact CG-CZ3 4.33Å; L208-D251 CarbonylContact O-C 3.57Å; L208-D251 VanDerWaalsContact O-CA 3.24Å; L208-D251 WeakPolarHBondContact O-CA 3.39Å; L208-D251 PolarHBondContact O-N 2.82Å; L208-E252 PolarHBondContact N-O 2.83Å; L208-E252 PolarHBondContact O-N 2.8Å; L208-L318 HydrophobicContact CB-CD2 4.2Å; L208-L318 HydrophobicContact CD1-CD2 3.85Å; L208-L318 HydrophobicContact CD1-CG 4.27Å
209	K	90.3	Very high	81.8	Confident	44 Å²	44	53.1 Å²	53.1	19%	0.191	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	-70.5	179.9	-68.4	165.5	160.7	169.4	0	110.3	V207 W250 D251 D298 E317 T319	V207-K209 HydrophobicContact CG1-CG 4.36Å; V207-K209 PolarHBondContact O-N 3.18Å; K209-W250 PolarHBondContact O-N 3.36Å; K209-D251 WeakPolarHBondContact CA-OD1 3.49Å; K209-D251 PolarHBondContact O-N 3.45Å; K209-D251 VanDerWaalsContact O-N 3.1Å; K209-D298 IonicContact NZ-OD1 2.67Å; K209-D298 PolarHBondContact NZ-OD1 3.17Å; K209-D298 IonicContact NZ-OD2 3.68Å; K209-D298 PolarHBondContact NZ-OD2 2.8Å; K209-E317 WeakPolarHBondContact CB-O 3.48Å; K209-E317 HydrophobicContact CD-CG 4.08Å; K209-E317 PolarHBondContact N-O 3.05Å; K209-T319 WeakPolarHBondContact CE-OG1 3.36Å; K209-T319 PolarHBondContact NZ-OG1 3.1Å; K209-T319 VanDerWaalsContact NZ-OG1 3.16Å
210	K	90.2	Very high	82.4	Confident	73 Å²	73	55.1 Å²	55.1	32%	0.317	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	158.5	-167.8	62.2	-169.7	171.2	-162.5	0	113.7	P248 V249 E317	K210-P248 CarbonylContact C-O 3.56Å; K210-P248 WeakPolarHBondContact CA-O 3.43Å; K210-P248 WeakPolarHBondContact CB-O 3.42Å; K210-V249 HydrophobicContact CB-CB 4.39Å; K210-V249 HydrophobicContact CB-CG1 4.5Å; K210-V249 HydrophobicContact CB-CG2 4Å; K210-E317 WeakPolarHBondContact CE-OE1 3.48Å; K210-E317 WeakPolarHBondContact CE-OE2 3.38Å; K210-E317 HydrophobicContact CG-CB 4.02Å; K210-E317 PolarHBondContact N-O 3.25Å; K210-E317 IonicContact NZ-OE1 3.41Å; K210-E317 PolarHBondContact NZ-OE1 3.3Å; K210-E317 IonicContact NZ-OE2 3.25Å; K210-E317 PolarHBondContact NZ-OE2 3.03Å; K210-E317 PolarHBondContact O-N 2.92Å
211	G	91.7	Very high	82.9	Confident	2 Å²	2	53.5 Å²	53.5	2%	0.021	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	157.9	164.3	0	0	0	0	0	111.4	N247 P248 W250 S315	G211-N247 CarbonylContact O-C 3.57Å; G211-N247 WeakPolarHBondContact O-CA 2.93Å; G211-P248 PolarHBondContact N-O 2.91Å; G211-W250 VanDerWaalsContact N-CZ3 3.28Å; G211-S315 CarbonylContact C-O 3.47Å; G211-S315 WeakPolarHBondContact CA-O 3.13Å
212	K	90.9	Very high	83.1	Confident	70 Å²	70	52.1 Å²	52.1	30%	0.304	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	134.7	175.1	-61.4	169.8	-170.3	157.5	0	109.6	L214 N247 G314 S315 E317	K212-L214 PolarHBondContact O-N 2.74Å; K212-N247 WeakPolarHBondContact CA-OD1 3.38Å; K212-G314 CarbonylContact O-C 3.51Å; K212-G314 WeakPolarHBondContact O-CA 3.48Å; K212-S315 PolarHBondContact N-O 3.31Å; K212-S315 PolarHBondContact O-N 3.4Å; K212-E317 WeakPolarHBondContact CE-OE2 3.39Å; K212-E317 IonicContact NZ-OE2 3.49Å; K212-E317 PolarHBondContact NZ-OE2 3.38Å
213	N	88.4	Confident	83.4	Confident	95 Å²	95	50.7 Å²	50.7	51%	0.508	25%	0.25	S	C	.	.	S	Bend	trans	48.7	40.7	175.2	-160.5	51.1	0	0	0	114.2	L246 N247 D312 G314	N213-L246 PolarHBondContact N-O 3.15Å; N213-N247 PolarHBondContact N-OD1 2.81Å; N213-D312 PolarHBondContact ND2-OD2 2.92Å; N213-G314 WeakPolarHBondContact O-CA 3.31Å; N213-G314 PolarHBondContact O-N 2.65Å
214	L	88.6	Confident	83.6	Confident	2 Å²	2	48.9 Å²	48.9	1%	0.01	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-64.3	142.7	-177.2	-60.6	-179.2	0	0	0	111.3	K212 I216 P225 L246 P248 W250 V269 M281 L303 L313	K212-L214 PolarHBondContact O-N 2.74Å; L214-I216 PolarHBondContact O-N 2.91Å; L214-P225 HydrophobicContact CD1-CB 3.63Å; L214-P225 HydrophobicContact CD1-CG 3.9Å; L214-L246 WeakPolarHBondContact CB-O 3.27Å; L214-L246 WeakPolarHBondContact CG-O 3.39Å; L214-L246 PolarHBondContact N-O 2.9Å; L214-P248 HydrophobicContact CD1-CG 3.55Å; L214-W250 HydrophobicContact CD1-CH2 4.16Å; L214-V269 HydrophobicContact CD1-CG1 4.33Å; L214-M281 HydrophobicContact CB-CE 3.94Å; L214-L303 HydrophobicContact CD2-CD1 3.49Å; L214-L303 VanDerWaalsContact CD2-CD1 3.49Å; L214-L313 WeakPolarHBondContact CA-O 3.44Å
215	A	84.8	Confident	83.9	Confident	14 Å²	14	48.9 Å²	48.9	12%	0.116	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-56.2	131.9	-177.5	0	0	0	0	0	113.3	R217 M281 L313	A215-R217 PolarHBondContact O-N 3.08Å; A215-M281 WeakPolarHBondContact O-CE 3.08Å; A215-L313 HydrophobicContact CB-CB 4.24Å; A215-L313 HydrophobicContact CB-CD2 3.62Å; A215-L313 PolarHBondContact N-O 2.99Å
216	I	84.4	Confident	84.3	Confident	90 Å²	90	48 Å²	48	46%	0.462	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-72.9	126.4	171.2	-57.9	168.6	0	0	0	108.9	L214 D218 L246	L214-I216 PolarHBondContact O-N 2.91Å; I216-D218 WeakPolarHBondContact CG2-O 3.33Å; I216-L246 HydrophobicContact CD1-CD1 3.87Å; I216-L246 HydrophobicContact CG1-CD1 3.5Å; I216-L246 VanDerWaalsContact CG1-CD1 3.5Å; I216-L246 HydrophobicContact CG1-CD2 3.89Å; I216-L246 HydrophobicContact CG1-CG 4.35Å
217	R	82.9	Confident	84.5	Confident	91 Å²	91	48 Å²	48	34%	0.343	24%	0.237	S	C	.	.			trans	-112.4	-41.9	165.7	-60.3	-60.2	-167.2	-162.7	6.6	111.7	A215 S223 D271 D279 F280 M281 D305	A215-R217 PolarHBondContact O-N 3.08Å; R217-S223 PolarHBondContact N-OG 2.82Å; R217-S223 VanDerWaalsContact N-OG 3.1Å; R217-D271 HydrophobicContact CB-CB 4.35Å; R217-D271 WeakPolarHBondContact CB-OD2 3.42Å; R217-D279 HydrophobicContact CB-CB 4.1Å; R217-D279 HydrophobicContact CG-CB 4.18Å; R217-F280 VanDerWaalsContact CZ-O 3.25Å; R217-F280 PolarHBondContact NE-O 3.34Å; R217-F280 PolarHBondContact NH2-O 2.88Å; R217-M281 HydrophobicContact CG-CG 4.3Å; R217-D305 IonicContact NH2-OD2 2.65Å
218	D	76.9	Confident	84.6	Confident	47 Å²	47	47.4 Å²	47.4	25%	0.251	23%	0.232	S	C	.	.	S	Bend	trans	-64.7	141.1	-178	-171	21.9	0	0	0	113.9	I216 T220 G221	I216-D218 WeakPolarHBondContact CG2-O 3.33Å; D218-T220 PolarHBondContact O-N 3.28Å; D218-T220 VanDerWaalsContact O-N 3.1Å; D218-T220 WeakPolarHBondContact OD2-CB 3.29Å; D218-T220 WeakPolarHBondContact OD2-CG2 3.47Å; D218-T220 PolarHBondContact OD2-OG1 2.82Å; D218-G221 PolarHBondContact O-N 3.27Å; D218-G221 VanDerWaalsContact O-N 3.17Å
219	R	67.8	Low	84.5	Confident	255 Å²	255	47.4 Å²	47.4	96%	0.962	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-13.7	-178.7	-66.9	-175.8	179.6	-174.1	-0.1	113.6	G221	R219-G221 VanDerWaalsContact C-N 3.29Å
220	T	63.7	Low	84.2	Confident	82 Å²	82	47.9 Å²	47.9	50%	0.503	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-12.2	177.6	67.2	0	0	0	0	113.5	D218 T222	D218-T220 PolarHBondContact O-N 3.28Å; D218-T220 VanDerWaalsContact O-N 3.1Å; D218-T220 WeakPolarHBondContact OD2-CB 3.29Å; D218-T220 WeakPolarHBondContact OD2-CG2 3.47Å; D218-T220 PolarHBondContact OD2-OG1 2.82Å; T220-T222 VanDerWaalsContact C-N 3.34Å; T220-T222 PolarHBondContact OG1-N 3.17Å; T220-T222 PolarHBondContact OG1-O 2.8Å; T220-T222 PolarHBondContact OG1-OG1 3.28Å
221	G	69.8	Low	83.8	Confident	33 Å²	33	45.4 Å²	45.4	34%	0.34	22%	0.223	S	C	.	.	S	Bend	trans	85.7	1.7	-172.9	0	0	0	0	0	114.2	D218 R219	D218-G221 PolarHBondContact O-N 3.27Å; D218-G221 VanDerWaalsContact O-N 3.17Å; R219-G221 VanDerWaalsContact C-N 3.29Å
222	T	77.4	Confident	83	Confident	46 Å²	46	47.6 Å²	47.6	28%	0.282	25%	0.247	S	C	.	.			trans	-139.5	119.6	179.1	55.7	0	0	0	0	111.2	T220	T220-T222 VanDerWaalsContact C-N 3.34Å; T220-T222 PolarHBondContact OG1-N 3.17Å; T220-T222 PolarHBondContact OG1-O 2.8Å; T220-T222 PolarHBondContact OG1-OG1 3.28Å
223	S	86.4	Confident	81.9	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.265	C	S	.	.			trans	-85.2	162.3	177.8	-72.9	0	0	0	0	113.8	R217 P225 K244 N245 D271 M281	R217-S223 PolarHBondContact N-OG 2.82Å; R217-S223 VanDerWaalsContact N-OG 3.1Å; S223-P225 WeakPolarHBondContact O-CD 3.47Å; S223-K244 CarbonylContact O-C 3.49Å; S223-K244 VanDerWaalsContact O-CA 3.22Å; S223-K244 WeakPolarHBondContact O-CA 3.42Å; S223-K244 PolarHBondContact O-N 2.86Å; S223-N245 PolarHBondContact O-N 3.5Å; S223-D271 WeakPolarHBondContact CB-OD2 3.38Å; S223-D271 PolarHBondContact OG-OD2 3.04Å; S223-M281 VanDerWaalsContact CB-CE 3.41Å
224	D	88.2	Confident	81.1	Confident	25 Å²	25	49.5 Å²	49.5	13%	0.134	27%	0.269	C	S	.	.			trans	-106.1	66.1	174.8	-75.7	4.7	0	0	0	111.3	T241 I242 H243 K244 D271 Y272	D224-T241 HydrophobicContact CB-CG2 3.87Å; D224-T241 WeakPolarHBondContact O-CG2 3.39Å; D224-I242 CarbonylContact C-O 3.52Å; D224-I242 WeakPolarHBondContact CA-O 3.24Å; D224-H243 WeakPolarHBondContact OD1-CA 3.18Å; D224-H243 IonicContact OD1-ND1 3.25Å; D224-H243 IonicContact OD2-CE1 3.58Å; D224-H243 IonicContact OD2-CG 3.84Å; D224-H243 IonicContact OD2-ND1 3.14Å; D224-H243 PolarHBondContact OD2-ND1 2.8Å; D224-K244 PolarHBondContact OD1-N 2.58Å; D224-D271 WeakPolarHBondContact CA-OD1 3.49Å; D224-D271 PolarHBondContact N-OD1 2.97Å; D224-Y272 PolarHBondContact O-N 3.17Å
225	P	90.1	Very high	80.6	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.277	C	S	.	.			trans	-67.4	143.8	-170.8	26.1	-37.5	0	0	0	115.3	L214 S223 I242 N245 P248 W250 V269 F270 M281	L214-P225 HydrophobicContact CD1-CB 3.63Å; L214-P225 HydrophobicContact CD1-CG 3.9Å; S223-P225 WeakPolarHBondContact O-CD 3.47Å; P225-I242 VanDerWaalsContact CD-O 3.27Å; P225-I242 WeakPolarHBondContact CD-O 3.18Å; P225-I242 PolarHBondContact O-N 3.46Å; P225-I242 VanDerWaalsContact O-N 3.09Å; P225-N245 WeakPolarHBondContact CD-O 3.15Å; P225-N245 WeakPolarHBondContact CG-O 3.17Å; P225-P248 HydrophobicContact CB-CG 4.27Å; P225-P248 HydrophobicContact CG-CB 3.92Å; P225-P248 HydrophobicContact CG-CG 3.63Å; P225-W250 HydrophobicContact CB-CZ2 4.23Å; P225-V269 HydrophobicContact CB-CG1 4.36Å; P225-F270 WeakPolarHBondContact CA-O 3.33Å; P225-M281 HydrophobicContact CB-CE 4.04Å; P225-M281 HydrophobicContact CB-SD 3.73Å
226	Y	91.8	Very high	80.4	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	160.7	162.1	74.4	-88.8	0	0	0	111.8	K228 R238 K240 V269 F270 D278	Y226-K228 HydrophobicContact CD2-CG 4.4Å; Y226-K228 HydrophobicContact CE2-CD 3.81Å; Y226-K228 HydrophobicContact CE2-CG 3.87Å; Y226-K228 PolarHBondContact OH-NZ 3.41Å; Y226-R238 HydrophobicContact CD2-CG 3.8Å; Y226-R238 HydrophobicContact CE2-CG 4.05Å; Y226-R238 PolarHBondContact OH-NH2 2.71Å; Y226-K240 WeakPolarHBondContact CB-O 3.45Å; Y226-V269 WeakPolarHBondContact O-CA 3.11Å; Y226-F270 HydrophobicContact CD1-CB 4.21Å; Y226-F270 WeakPolarHBondContact CD1-O 3.38Å; Y226-F270 HydrophobicContact CE1-CB 3.49Å; Y226-F270 VanDerWaalsContact CE1-CB 3.49Å; Y226-F270 HydrophobicContact CE2-CB 4.03Å; Y226-F270 HydrophobicContact CE2-CD2 4.14Å; Y226-F270 HydrophobicContact CE2-CG 4.44Å; Y226-F270 AromaticContact CZ-CG 3.97Å; Y226-F270 PolarHBondContact N-O 3.03Å; Y226-F270 PolarHBondContact O-N 3.01Å; Y226-F270 WeakPolarHBondContact OH-CB 3.33Å; Y226-D278 HydrophobicContact CE1-CB 4.34Å; Y226-D278 WeakPolarHBondContact CE1-OD2 3.31Å; Y226-D278 VanDerWaalsContact CZ-OD2 3.23Å; Y226-D278 PolarHBondContact OH-OD2 2.89Å
227	V	90.8	Very high	80.3	Confident	0 Å²	0	48 Å²	48	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	142.6	-175.7	-169	0	0	0	0	111.4	L208 F229 R238 S239 W250 V267 K268 V269 L316	L208-V227 HydrophobicContact CD1-CG2 4.21Å; L208-V227 HydrophobicContact CD2-CB 3.86Å; L208-V227 HydrophobicContact CD2-CG1 4.47Å; L208-V227 HydrophobicContact CD2-CG2 3.8Å; V227-F229 HydrophobicContact CG1-CD1 4.02Å; V227-F229 HydrophobicContact CG1-CE1 3.61Å; V227-R238 CarbonylContact O-C 3.53Å; V227-R238 VanDerWaalsContact O-CA 3.32Å; V227-R238 WeakPolarHBondContact O-CA 3.44Å; V227-S239 PolarHBondContact N-OG 3.41Å; V227-S239 PolarHBondContact O-N 3.27Å; V227-W250 HydrophobicContact CG2-CD2 4.46Å; V227-W250 HydrophobicContact CG2-CE3 4.3Å; V227-W250 HydrophobicContact CG2-CH2 3.34Å; V227-W250 HydrophobicContact CG2-CZ2 3.55Å; V227-W250 HydrophobicContact CG2-CZ3 3.75Å; V227-V267 HydrophobicContact CG1-CG1 3.56Å; V227-K268 CarbonylContact C-O 3.47Å; V227-K268 WeakPolarHBondContact CA-O 3.36Å; V227-V269 HydrophobicContact CG2-CG2 4.24Å; V227-L316 HydrophobicContact CG1-CD1 4.07Å; V227-L316 HydrophobicContact CG2-CD1 4.39Å; V227-L316 HydrophobicContact CG2-CD2 4.09Å
228	K	90.6	Very high	80.3	Confident	27 Å²	27	47.4 Å²	47.4	12%	0.117	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	137.6	170	-78	164.6	167.6	150.7	0	110.2	Y226 E235 F237 R238 V267 K268 F270	Y226-K228 HydrophobicContact CD2-CG 4.4Å; Y226-K228 HydrophobicContact CE2-CD 3.81Å; Y226-K228 HydrophobicContact CE2-CG 3.87Å; Y226-K228 PolarHBondContact OH-NZ 3.41Å; K228-E235 WeakPolarHBondContact CD-OE1 3Å; K228-E235 WeakPolarHBondContact CE-OE1 3Å; K228-E235 WeakPolarHBondContact CG-OE1 3.04Å; K228-F237 WeakPolarHBondContact CA-O 3.49Å; K228-R238 HydrophobicContact CG-CB 4.14Å; K228-R238 HydrophobicContact CG-CG 4Å; K228-V267 WeakPolarHBondContact O-CA 3.5Å; K228-K268 PolarHBondContact N-O 3.48Å; K228-K268 PolarHBondContact O-N 2.82Å; K228-F270 HydrophobicContact CD-CD2 3.95Å; K228-F270 HydrophobicContact CD-CE2 3.76Å
229	F	89.3	Confident	80.7	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	140.1	170.5	-57.3	-26.6	0	0	0	110.9	I206 L208 V227 V236 F237 V254 L265 Y266 V267 L318	I206-F229 HydrophobicContact CB-CE2 4.41Å; I206-F229 HydrophobicContact CD1-CD2 4.29Å; I206-F229 HydrophobicContact CD1-CE2 4.31Å; I206-F229 HydrophobicContact CG2-CE2 3.75Å; I206-F229 HydrophobicContact CG2-CZ 4Å; L208-F229 HydrophobicContact CB-CZ 4.26Å; L208-F229 HydrophobicContact CD1-CZ 4.48Å; V227-F229 HydrophobicContact CG1-CD1 4.02Å; V227-F229 HydrophobicContact CG1-CE1 3.61Å; F229-V236 HydrophobicContact CB-CG2 3.91Å; F229-V236 WeakPolarHBondContact O-CG2 3.44Å; F229-V236 PolarHBondContact O-N 2.85Å; F229-F237 HydrophobicContact CB-CB 4.16Å; F229-F237 HydrophobicContact CD2-CB 3.8Å; F229-F237 AromaticContact CD2-CD1 3.4Å; F229-F237 HydrophobicContact CD2-CD1 3.4Å; F229-F237 HydrophobicContact CD2-CE1 4.27Å; F229-F237 AromaticContact CD2-CG 3.91Å; F229-F237 HydrophobicContact CD2-CG 3.91Å; F229-F237 AromaticContact CE2-CD1 3.5Å; F229-F237 HydrophobicContact CE2-CD1 3.5Å; F229-F237 AromaticContact CE2-CE1 3.91Å; F229-F237 HydrophobicContact CE2-CE1 3.91Å; F229-F237 HydrophobicContact CE2-CG 4.27Å; F229-F237 HydrophobicContact CG-CB 4.29Å; F229-F237 AromaticContact CG-CD1 3.98Å; F229-F237 HydrophobicContact CG-CD1 3.98Å; F229-F237 HydrophobicContact CZ-CD1 4.17Å; F229-F237 HydrophobicContact CZ-CE1 4.31Å; F229-F237 PolarHBondContact N-O 3.17Å; F229-V254 HydrophobicContact CD2-CG1 4.05Å; F229-V254 HydrophobicContact CE2-CG1 3.81Å; F229-L265 HydrophobicContact CB-CD1 3.95Å; F229-L265 HydrophobicContact CG-CD1 4.37Å; F229-Y266 CarbonylContact C-O 3.55Å; F229-V267 HydrophobicContact CD1-CB 4.28Å; F229-V267 HydrophobicContact CD1-CG1 3.89Å; F229-V267 HydrophobicContact CD1-CG2 3.81Å; F229-V267 HydrophobicContact CE1-CG1 3.82Å; F229-V267 HydrophobicContact CE1-CG2 4.04Å; F229-L318 HydrophobicContact CE1-CD2 4.17Å; F229-L318 HydrophobicContact CZ-CD2 3.67Å
230	K	84.1	Confident	81.4	Confident	53 Å²	53	37.4 Å²	37.4	23%	0.23	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	144.9	175.3	-47	-152.2	177.7	-149.2	0	111.9	K234 E235 Y266	K230-K234 CarbonylContact C-O 3.58Å; K230-K234 WeakPolarHBondContact CA-O 3.45Å; K230-K234 WeakPolarHBondContact CB-O 3.46Å; K230-E235 HydrophobicContact CD-CB 4.29Å; K230-E235 WeakPolarHBondContact CE-OE2 3.46Å; K230-E235 HydrophobicContact CG-CB 4.37Å; K230-E235 HydrophobicContact CG-CG 4.43Å; K230-E235 IonicContact NZ-OE2 2.73Å; K230-E235 PolarHBondContact NZ-OE2 3.36Å; K230-Y266 PolarHBondContact N-O 3.24Å; K230-Y266 PolarHBondContact O-N 3Å
231	I	80.4	Confident	82.5	Confident	21 Å²	21	35.1 Å²	35.1	11%	0.108	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	139.5	170.7	-57.8	179.9	0	0	0	106.2	G233 K234 V236 L256 V258 E263 L265	I231-G233 PolarHBondContact O-N 2.94Å; I231-G233 VanDerWaalsContact O-N 3.15Å; I231-K234 PolarHBondContact N-O 3.09Å; I231-K234 WeakPolarHBondContact O-CB 3.42Å; I231-K234 PolarHBondContact O-N 2.91Å; I231-V236 HydrophobicContact CB-CG1 4.41Å; I231-V236 HydrophobicContact CG1-CG2 4.26Å; I231-L256 HydrophobicContact CD1-CD1 3.74Å; I231-V258 HydrophobicContact CD1-CG2 3.97Å; I231-E263 HydrophobicContact CG2-CB 3.99Å; I231-E263 WeakPolarHBondContact CG2-OE2 3.22Å; I231-L265 HydrophobicContact CD1-CD1 3.89Å; I231-L265 HydrophobicContact CG1-CD1 3.71Å
232	G	75.4	Confident	83.1	Confident	49 Å²	49	35.7 Å²	35.7	51%	0.505	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	56	31.2	-175.6	0	0	0	0	0	114	K234 E263	G232-K234 PolarHBondContact O-N 2.83Å; G232-E263 VanDerWaalsContact CA-CD 3.47Å; G232-E263 WeakPolarHBondContact CA-OE1 3.45Å; G232-E263 WeakPolarHBondContact CA-OE2 3.38Å; G232-E263 PolarHBondContact N-OE2 2.83Å
233	G	68.4	Low	83.4	Confident	67 Å²	67	39.2 Å²	39.2	69%	0.691	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.1	-15.2	-170.8	0	0	0	0	0	115.6	I231	I231-G233 PolarHBondContact O-N 2.94Å; I231-G233 VanDerWaalsContact O-N 3.15Å
234	K	71.2	Confident	83.2	Confident	137 Å²	137	45.6 Å²	45.6	60%	0.596	24%	0.241	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-80.6	136.1	-178.8	-176.1	176.5	179.5	178.2	0	111.4	K230 I231 G232 V236	K230-K234 CarbonylContact C-O 3.58Å; K230-K234 WeakPolarHBondContact CA-O 3.45Å; K230-K234 WeakPolarHBondContact CB-O 3.46Å; I231-K234 PolarHBondContact N-O 3.09Å; I231-K234 WeakPolarHBondContact O-CB 3.42Å; I231-K234 PolarHBondContact O-N 2.91Å; G232-K234 PolarHBondContact O-N 2.83Å; K234-V236 PolarHBondContact O-N 3.16Å
235	E	78.9	Confident	83.1	Confident	39 Å²	39	47.1 Å²	47.1	18%	0.182	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	122.7	176.6	-162.2	161.2	132.7	0	0	110.7	K228 K230 L351	K228-E235 WeakPolarHBondContact CD-OE1 3Å; K228-E235 WeakPolarHBondContact CE-OE1 3Å; K228-E235 WeakPolarHBondContact CG-OE1 3.04Å; K230-E235 HydrophobicContact CD-CB 4.29Å; K230-E235 WeakPolarHBondContact CE-OE2 3.46Å; K230-E235 HydrophobicContact CG-CB 4.37Å; K230-E235 HydrophobicContact CG-CG 4.43Å; K230-E235 IonicContact NZ-OE2 2.73Å; K230-E235 PolarHBondContact NZ-OE2 3.36Å; E235-L351 HydrophobicContact CG-CD1 4.36Å; E235-L351 WeakPolarHBondContact OE1-CD1 3.44Å
236	V	79.2	Confident	82.9	Confident	26 Å²	26	48.7 Å²	48.7	16%	0.158	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	-15.8	-171.9	-65	0	0	0	0	113.8	F229 I231 K234 L256 R350	F229-V236 HydrophobicContact CB-CG2 3.91Å; F229-V236 WeakPolarHBondContact O-CG2 3.44Å; F229-V236 PolarHBondContact O-N 2.85Å; I231-V236 HydrophobicContact CB-CG1 4.41Å; I231-V236 HydrophobicContact CG1-CG2 4.26Å; K234-V236 PolarHBondContact O-N 3.16Å; V236-L256 HydrophobicContact CB-CD2 4.14Å; V236-L256 HydrophobicContact CG2-CD1 3.81Å; V236-L256 HydrophobicContact CG2-CD2 4.1Å; V236-R350 PolarHBondContact O-NE 2.85Å; V236-R350 VanDerWaalsContact O-NE 3.12Å
237	F	82.1	Confident	82.7	Confident	9 Å²	9	52.8 Å²	52.8	4%	0.039	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	147.9	178.8	174.6	-101.7	0	0	0	111.3	L208 K228 F229 E252 V254	L208-F237 HydrophobicContact CD2-CE1 4.34Å; K228-F237 WeakPolarHBondContact CA-O 3.49Å; F229-F237 HydrophobicContact CB-CB 4.16Å; F229-F237 HydrophobicContact CD2-CB 3.8Å; F229-F237 AromaticContact CD2-CD1 3.4Å; F229-F237 HydrophobicContact CD2-CD1 3.4Å; F229-F237 HydrophobicContact CD2-CE1 4.27Å; F229-F237 AromaticContact CD2-CG 3.91Å; F229-F237 HydrophobicContact CD2-CG 3.91Å; F229-F237 AromaticContact CE2-CD1 3.5Å; F229-F237 HydrophobicContact CE2-CD1 3.5Å; F229-F237 AromaticContact CE2-CE1 3.91Å; F229-F237 HydrophobicContact CE2-CE1 3.91Å; F229-F237 HydrophobicContact CE2-CG 4.27Å; F229-F237 HydrophobicContact CG-CB 4.29Å; F229-F237 AromaticContact CG-CD1 3.98Å; F229-F237 HydrophobicContact CG-CD1 3.98Å; F229-F237 HydrophobicContact CZ-CD1 4.17Å; F229-F237 HydrophobicContact CZ-CE1 4.31Å; F229-F237 PolarHBondContact N-O 3.17Å; F237-E252 HydrophobicContact CZ-CB 4.02Å; F237-E252 WeakPolarHBondContact CZ-OE2 3.48Å; F237-V254 HydrophobicContact CB-CG1 4.4Å; F237-V254 HydrophobicContact CB-CG2 4.2Å; F237-V254 HydrophobicContact CD1-CG1 4.33Å; F237-V254 HydrophobicContact CD2-CB 3.69Å; F237-V254 HydrophobicContact CD2-CG1 4Å; F237-V254 HydrophobicContact CD2-CG2 3.64Å; F237-V254 HydrophobicContact CE2-CB 3.95Å; F237-V254 HydrophobicContact CE2-CG1 4.33Å; F237-V254 HydrophobicContact CE2-CG2 4.34Å; F237-V254 HydrophobicContact CG-CB 4.19Å; F237-V254 HydrophobicContact CG-CG1 3.99Å; F237-V254 HydrophobicContact CG-CG2 4.13Å
238	R	84.7	Confident	82.6	Confident	80 Å²	80	52.8 Å²	52.8	30%	0.302	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	130.4	166.1	179.7	-178.8	177.9	154.5	4.1	107.5	Y226 V227 K228 D278	Y226-R238 HydrophobicContact CD2-CG 3.8Å; Y226-R238 HydrophobicContact CE2-CG 4.05Å; Y226-R238 PolarHBondContact OH-NH2 2.71Å; V227-R238 CarbonylContact O-C 3.53Å; V227-R238 VanDerWaalsContact O-CA 3.32Å; V227-R238 WeakPolarHBondContact O-CA 3.44Å; K228-R238 HydrophobicContact CG-CB 4.14Å; K228-R238 HydrophobicContact CG-CG 4Å; R238-D278 IonicContact CZ-OD2 3.92Å; R238-D278 IonicContact NH1-OD2 2.91Å; R238-D278 IonicContact NH2-OD2 3.08Å; R238-D278 PolarHBondContact NH2-OD2 2.73Å
239	S	85	Confident	82.6	Confident	8 Å²	8	55.2 Å²	55.2	6%	0.056	30%	0.296	C	S	.	.			trans	-76.4	174.6	175.9	73.4	0	0	0	0	112.2	V227 W250	V227-S239 PolarHBondContact N-OG 3.41Å; V227-S239 PolarHBondContact O-N 3.27Å; S239-W250 PolarHBondContact OG-NE1 2.84Å
240	K	81.7	Confident	82.4	Confident	84 Å²	84	55.9 Å²	55.9	37%	0.365	30%	0.298	S	S	.	.			trans	-59.9	152.2	160.1	-61.8	154.9	-160.9	162.8	0	111	Y226 W250 E252 Q347	Y226-K240 WeakPolarHBondContact CB-O 3.45Å; K240-W250 PolarHBondContact O-NE1 2.89Å; K240-E252 WeakPolarHBondContact CB-OE1 3.47Å; K240-E252 WeakPolarHBondContact CD-OE1 3.49Å; K240-E252 WeakPolarHBondContact CG-OE1 3.39Å; K240-E252 PolarHBondContact N-OE1 2.91Å; K240-Q347 VanDerWaalsContact CE-CD 3.41Å
241	T	87.1	Confident	82.6	Confident	34 Å²	34	58.4 Å²	58.4	21%	0.209	31%	0.314	C	S	.	.			trans	-74.5	135.1	157.7	-56.4	0	0	0	0	109.2	D224 Y272	D224-T241 HydrophobicContact CB-CG2 3.87Å; D224-T241 WeakPolarHBondContact O-CG2 3.39Å; T241-Y272 HydrophobicContact CG2-CD1 4.11Å; T241-Y272 HydrophobicContact CG2-CG 4.07Å
242	I	82.8	Confident	82.4	Confident	44 Å²	44	58 Å²	58	23%	0.226	31%	0.312	C	S	.	.			trans	-113	115.3	169.5	-58.6	-63	0	0	0	107.2	D224 P225 N245 P248 W250	D224-I242 CarbonylContact C-O 3.52Å; D224-I242 WeakPolarHBondContact CA-O 3.24Å; P225-I242 VanDerWaalsContact CD-O 3.27Å; P225-I242 WeakPolarHBondContact CD-O 3.18Å; P225-I242 PolarHBondContact O-N 3.46Å; P225-I242 VanDerWaalsContact O-N 3.09Å; I242-N245 HydrophobicContact CG2-CB 4.1Å; I242-P248 HydrophobicContact CB-CB 3.81Å; I242-P248 HydrophobicContact CG1-CB 3.99Å; I242-P248 HydrophobicContact CG2-CB 3.97Å; I242-W250 HydrophobicContact CG1-CG 4.45Å
243	H	83.5	Confident	82.6	Confident	120 Å²	120	62.9 Å²	62.9	56%	0.556	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	140.5	-172.4	-59.7	-76.1	0	0	0	112.9	D224 N245	D224-H243 WeakPolarHBondContact OD1-CA 3.18Å; D224-H243 IonicContact OD1-ND1 3.25Å; D224-H243 IonicContact OD2-CE1 3.58Å; D224-H243 IonicContact OD2-CG 3.84Å; D224-H243 IonicContact OD2-ND1 3.14Å; D224-H243 PolarHBondContact OD2-ND1 2.8Å; H243-N245 PolarHBondContact O-N 2.85Å
244	K	83	Confident	83.3	Confident	134 Å²	134	60.1 Å²	60.1	58%	0.583	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.8	45.7	170.3	-59.8	-171.8	178	-178.8	0	114.8	S223 D224	S223-K244 CarbonylContact O-C 3.49Å; S223-K244 VanDerWaalsContact O-CA 3.22Å; S223-K244 WeakPolarHBondContact O-CA 3.42Å; S223-K244 PolarHBondContact O-N 2.86Å; D224-K244 PolarHBondContact OD1-N 2.58Å
245	N	84.6	Confident	83.7	Confident	57 Å²	57	57.5 Å²	57.5	31%	0.305	28%	0.277	S	S	.	.			trans	-146.4	112.1	-176.2	-174.6	4.6	0	0	0	112.9	S223 P225 I242 H243 N247 P248	S223-N245 PolarHBondContact O-N 3.5Å; P225-N245 WeakPolarHBondContact CD-O 3.15Å; P225-N245 WeakPolarHBondContact CG-O 3.17Å; I242-N245 HydrophobicContact CG2-CB 4.1Å; H243-N245 PolarHBondContact O-N 2.85Å; N245-N247 PolarHBondContact ND2-O 3.41Å; N245-N247 VanDerWaalsContact ND2-O 3.13Å; N245-N247 PolarHBondContact O-N 2.8Å; N245-N247 VanDerWaalsContact OD1-C 3.25Å; N245-N247 WeakPolarHBondContact OD1-CA 3.22Å; N245-N247 PolarHBondContact OD1-N 2.83Å; N245-N247 PolarHBondContact OD1-O 3.42Å; N245-P248 WeakPolarHBondContact O-CD 3.2Å
246	L	85.6	Confident	83.8	Confident	33 Å²	33	55.9 Å²	55.9	17%	0.173	27%	0.269	C	S	.	.	S	Bend	trans	-76.8	-6.9	176.7	-49.1	178	0	0	0	113.7	N213 L214 I216	N213-L246 PolarHBondContact N-O 3.15Å; L214-L246 WeakPolarHBondContact CB-O 3.27Å; L214-L246 WeakPolarHBondContact CG-O 3.39Å; L214-L246 PolarHBondContact N-O 2.9Å; I216-L246 HydrophobicContact CD1-CD1 3.87Å; I216-L246 HydrophobicContact CG1-CD1 3.5Å; I216-L246 VanDerWaalsContact CG1-CD1 3.5Å; I216-L246 HydrophobicContact CG1-CD2 3.89Å; I216-L246 HydrophobicContact CG1-CG 4.35Å
247	N	88.4	Confident	83.7	Confident	86 Å²	86	58.7 Å²	58.7	46%	0.46	28%	0.283	S	S	.	.	S	Bend	trans	-126.1	61.2	174.8	-60.4	-85.9	0	0	0	109.6	G211 K212 N213 N245	G211-N247 CarbonylContact O-C 3.57Å; G211-N247 WeakPolarHBondContact O-CA 2.93Å; K212-N247 WeakPolarHBondContact CA-OD1 3.38Å; N213-N247 PolarHBondContact N-OD1 2.81Å; N245-N247 PolarHBondContact ND2-O 3.41Å; N245-N247 VanDerWaalsContact ND2-O 3.13Å; N245-N247 PolarHBondContact O-N 2.8Å; N245-N247 VanDerWaalsContact OD1-C 3.25Å; N245-N247 WeakPolarHBondContact OD1-CA 3.22Å; N245-N247 PolarHBondContact OD1-N 2.83Å; N245-N247 PolarHBondContact OD1-O 3.42Å
248	P	89	Confident	83.4	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	28%	0.283	C	S	.	.			trans	-68.9	143.4	-174.5	32.2	-38.3	0	0	0	111.1	K210 G211 L214 P225 I242 N245 W250	K210-P248 CarbonylContact C-O 3.56Å; K210-P248 WeakPolarHBondContact CA-O 3.43Å; K210-P248 WeakPolarHBondContact CB-O 3.42Å; G211-P248 PolarHBondContact N-O 2.91Å; L214-P248 HydrophobicContact CD1-CG 3.55Å; P225-P248 HydrophobicContact CB-CG 4.27Å; P225-P248 HydrophobicContact CG-CB 3.92Å; P225-P248 HydrophobicContact CG-CG 3.63Å; I242-P248 HydrophobicContact CB-CB 3.81Å; I242-P248 HydrophobicContact CG1-CB 3.99Å; I242-P248 HydrophobicContact CG2-CB 3.97Å; N245-P248 WeakPolarHBondContact O-CD 3.2Å; P248-W250 HydrophobicContact CB-CD2 4.44Å; P248-W250 HydrophobicContact CB-CH2 4.13Å; P248-W250 HydrophobicContact CB-CZ2 3.86Å; P248-W250 HydrophobicContact CG-CE3 4.34Å; P248-W250 HydrophobicContact CG-CH2 3.28Å; P248-W250 HydrophobicContact CG-CZ2 3.45Å; P248-W250 VanDerWaalsContact CG-CZ2 3.45Å; P248-W250 HydrophobicContact CG-CZ3 3.77Å
249	V	90.1	Very high	82.7	Confident	78 Å²	78	61.5 Å²	61.5	47%	0.473	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	123.7	168.3	-175.7	0	0	0	0	107.3	K210 D251	K210-V249 HydrophobicContact CB-CB 4.39Å; K210-V249 HydrophobicContact CB-CG1 4.5Å; K210-V249 HydrophobicContact CB-CG2 4Å; V249-D251 WeakPolarHBondContact CG1-OD2 3.34Å
250	W	85.8	Confident	82	Confident	14 Å²	14	64.6 Å²	64.6	5%	0.053	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	-42.4	-179.9	-66.4	-77.7	0	0	0	111.5	L208 K209 G211 L214 P225 V227 S239 K240 I242 P248 E252 L316	L208-W250 HydrophobicContact CD1-CE3 3.82Å; L208-W250 HydrophobicContact CD1-CZ3 4.04Å; L208-W250 HydrophobicContact CD2-CB 4.04Å; L208-W250 HydrophobicContact CD2-CD2 3.75Å; L208-W250 HydrophobicContact CD2-CE3 3.75Å; L208-W250 HydrophobicContact CD2-CG 3.89Å; L208-W250 HydrophobicContact CD2-CZ3 4.41Å; L208-W250 HydrophobicContact CG-CB 4.12Å; L208-W250 HydrophobicContact CG-CD2 4.08Å; L208-W250 HydrophobicContact CG-CE3 3.63Å; L208-W250 HydrophobicContact CG-CG 4.31Å; L208-W250 HydrophobicContact CG-CZ3 4.33Å; K209-W250 PolarHBondContact O-N 3.36Å; G211-W250 VanDerWaalsContact N-CZ3 3.28Å; L214-W250 HydrophobicContact CD1-CH2 4.16Å; P225-W250 HydrophobicContact CB-CZ2 4.23Å; V227-W250 HydrophobicContact CG2-CD2 4.46Å; V227-W250 HydrophobicContact CG2-CE3 4.3Å; V227-W250 HydrophobicContact CG2-CH2 3.34Å; V227-W250 HydrophobicContact CG2-CZ2 3.55Å; V227-W250 HydrophobicContact CG2-CZ3 3.75Å; S239-W250 PolarHBondContact OG-NE1 2.84Å; K240-W250 PolarHBondContact O-NE1 2.89Å; I242-W250 HydrophobicContact CG1-CG 4.45Å; P248-W250 HydrophobicContact CB-CD2 4.44Å; P248-W250 HydrophobicContact CB-CH2 4.13Å; P248-W250 HydrophobicContact CB-CZ2 3.86Å; P248-W250 HydrophobicContact CG-CE3 4.34Å; P248-W250 HydrophobicContact CG-CH2 3.28Å; P248-W250 HydrophobicContact CG-CZ2 3.45Å; P248-W250 VanDerWaalsContact CG-CZ2 3.45Å; P248-W250 HydrophobicContact CG-CZ3 3.77Å; W250-E252 HydrophobicContact CB-CB 4.45Å; W250-E252 HydrophobicContact CB-CG 4.25Å; W250-E252 PolarHBondContact O-N 2.83Å; W250-L316 HydrophobicContact CH2-CD2 3.86Å; W250-L316 HydrophobicContact CZ3-CD2 3.65Å
251	D	87.6	Confident	81.8	Confident	106 Å²	106	61.8 Å²	61.8	57%	0.567	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	43.2	40.4	-169.9	-70	-36	0	0	0	113.3	L208 K209 V249	L208-D251 CarbonylContact O-C 3.57Å; L208-D251 VanDerWaalsContact O-CA 3.24Å; L208-D251 WeakPolarHBondContact O-CA 3.39Å; L208-D251 PolarHBondContact O-N 2.82Å; K209-D251 WeakPolarHBondContact CA-OD1 3.49Å; K209-D251 PolarHBondContact O-N 3.45Å; K209-D251 VanDerWaalsContact O-N 3.1Å; V249-D251 WeakPolarHBondContact CG1-OD2 3.34Å
252	E	76.1	Confident	81.3	Confident	13 Å²	13	69.7 Å²	69.7	6%	0.061	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	124.9	-178	-75.2	-174	-128.6	0	0	111.6	V207 L208 F237 K240 W250	V207-E252 WeakPolarHBondContact CA-O 3.18Å; L208-E252 PolarHBondContact N-O 2.83Å; L208-E252 PolarHBondContact O-N 2.8Å; F237-E252 HydrophobicContact CZ-CB 4.02Å; F237-E252 WeakPolarHBondContact CZ-OE2 3.48Å; K240-E252 WeakPolarHBondContact CB-OE1 3.47Å; K240-E252 WeakPolarHBondContact CD-OE1 3.49Å; K240-E252 WeakPolarHBondContact CG-OE1 3.39Å; K240-E252 PolarHBondContact N-OE1 2.91Å; W250-E252 HydrophobicContact CB-CB 4.45Å; W250-E252 HydrophobicContact CB-CG 4.25Å; W250-E252 PolarHBondContact O-N 2.83Å
253	R	80.9	Confident	81.3	Confident	152 Å²	152	72 Å²	72	57%	0.574	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.9	132.4	177.1	-175.1	174.9	178.5	-169.7	3	111.4	D205 I206 V207	D205-R253 VanDerWaalsContact OD1-CG 3.31Å; D205-R253 WeakPolarHBondContact OD1-CG 3.43Å; D205-R253 IonicContact OD1-CZ 3.37Å; D205-R253 IonicContact OD1-NE 3.68Å; D205-R253 PolarHBondContact OD1-NE 2.88Å; D205-R253 IonicContact OD1-NH2 3.23Å; D205-R253 IonicContact OD2-CZ 2.72Å; D205-R253 VanDerWaalsContact OD2-CZ 3.25Å; D205-R253 IonicContact OD2-NE 2.7Å; D205-R253 PolarHBondContact OD2-NE 2.81Å; D205-R253 VanDerWaalsContact OD2-NE 3.08Å; D205-R253 IonicContact OD2-NH2 2.67Å; D205-R253 PolarHBondContact OD2-NH2 2.9Å; I206-R253 CarbonylContact O-C 3.49Å; I206-R253 VanDerWaalsContact O-CA 3.32Å; I206-R253 WeakPolarHBondContact O-CA 3.31Å; V207-R253 HydrophobicContact CG2-CB 4.19Å; V207-R253 HydrophobicContact CG2-CG 3.96Å
254	V	81.3	Confident	81.4	Confident	8 Å²	8	68.1 Å²	68.1	5%	0.048	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	132.1	176.5	64.1	0	0	0	0	111.3	I206 F229 F237 L256	I206-V254 HydrophobicContact CB-CG1 4.01Å; I206-V254 PolarHBondContact N-O 3.26Å; I206-V254 PolarHBondContact O-N 3.08Å; F229-V254 HydrophobicContact CD2-CG1 4.05Å; F229-V254 HydrophobicContact CE2-CG1 3.81Å; F237-V254 HydrophobicContact CB-CG1 4.4Å; F237-V254 HydrophobicContact CB-CG2 4.2Å; F237-V254 HydrophobicContact CD1-CG1 4.33Å; F237-V254 HydrophobicContact CD2-CB 3.69Å; F237-V254 HydrophobicContact CD2-CG1 4Å; F237-V254 HydrophobicContact CD2-CG2 3.64Å; F237-V254 HydrophobicContact CE2-CB 3.95Å; F237-V254 HydrophobicContact CE2-CG1 4.33Å; F237-V254 HydrophobicContact CE2-CG2 4.34Å; F237-V254 HydrophobicContact CG-CB 4.19Å; F237-V254 HydrophobicContact CG-CG1 3.99Å; F237-V254 HydrophobicContact CG-CG2 4.13Å; V254-L256 HydrophobicContact CG2-CD2 3.76Å
255	I	80.8	Confident	81.6	Confident	82 Å²	82	61.8 Å²	61.8	42%	0.421	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	117	176.7	-59.3	173.1	0	0	0	109.1	Q203 D205 R350	Q203-I255 HydrophobicContact CG-CG2 3.53Å; D205-I255 HydrophobicContact CB-CG1 4.32Å; D205-I255 WeakPolarHBondContact OD1-CG1 3.37Å; I255-R350 PolarHBondContact O-NH2 2.89Å
256	L	80.3	Confident	81.9	Confident	5 Å²	5	60.9 Å²	60.9	3%	0.026	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	149.3	175.7	-51.1	-173.8	0	0	0	109.6	L204 I206 I231 V236 V254 V258 L265	L204-L256 HydrophobicContact CB-CB 4.28Å; L204-L256 HydrophobicContact CD2-CD1 4.24Å; L204-L256 PolarHBondContact N-O 3.03Å; L204-L256 PolarHBondContact O-N 3.21Å; I206-L256 HydrophobicContact CD1-CD1 3.65Å; I206-L256 HydrophobicContact CD1-CG 4.21Å; I231-L256 HydrophobicContact CD1-CD1 3.74Å; V236-L256 HydrophobicContact CB-CD2 4.14Å; V236-L256 HydrophobicContact CG2-CD1 3.81Å; V236-L256 HydrophobicContact CG2-CD2 4.1Å; V254-L256 HydrophobicContact CG2-CD2 3.76Å; L256-V258 HydrophobicContact CB-CG2 4.48Å; L256-L265 HydrophobicContact CD1-CD1 3.95Å
257	L	76.6	Confident	82.2	Confident	85 Å²	85	59.3 Å²	59.3	45%	0.445	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	129	168.7	-158.8	77.3	0	0	0	106.9	M201 Y202 Q203 K325	M201-L257 HydrophobicContact SD-CD2 3.63Å; M201-L257 HydrophobicContact SD-CG 4.36Å; Y202-L257 CarbonylContact O-C 3.59Å; Y202-L257 WeakPolarHBondContact O-CA 3.4Å; Y202-L257 WeakPolarHBondContact O-CD1 3.37Å; Q203-L257 HydrophobicContact CB-CD1 4.18Å; L257-K325 HydrophobicContact CD1-CD 4.2Å
258	V	77.5	Confident	82.4	Confident	6 Å²	6	57.3 Å²	57.3	4%	0.036	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	121	-170.4	-178.7	0	0	0	0	108.6	Y202 L204 I231 L256 T260 L261 L288	Y202-V258 PolarHBondContact N-O 3.45Å; Y202-V258 PolarHBondContact O-N 3.49Å; L204-V258 HydrophobicContact CB-CG2 4.08Å; L204-V258 HydrophobicContact CD2-CG2 4.06Å; I231-V258 HydrophobicContact CD1-CG2 3.97Å; L256-V258 HydrophobicContact CB-CG2 4.48Å; V258-T260 VanDerWaalsContact CG1-O 3.31Å; V258-T260 WeakPolarHBondContact CG1-O 3.32Å; V258-L261 HydrophobicContact CG1-CD2 4.44Å; V258-L288 HydrophobicContact CG1-CD1 4.05Å; V258-L288 HydrophobicContact CG2-CD1 4.28Å
259	E	69.2	Low	82.5	Confident	143 Å²	143	57.3 Å²	57.3	67%	0.668	27%	0.273	S	S	*	.	S	Bend	trans	-84.7	-21.1	-177	-170.6	169	-170.3	0	0	112.4
260	T	70.3	Confident	82.6	Confident	73 Å²	73	55.2 Å²	55.2	45%	0.448	26%	0.257	S	S	.	.			trans	-151.6	127.6	178.4	-71.7	0	0	0	0	110.7	V258 R262	V258-T260 VanDerWaalsContact CG1-O 3.31Å; V258-T260 WeakPolarHBondContact CG1-O 3.32Å; T260-R262 VanDerWaalsContact C-N 3.27Å; T260-R262 HydrophobicContact CG2-CB 3.79Å; T260-R262 HydrophobicContact CG2-CG 3.83Å; T260-R262 PolarHBondContact O-N 2.99Å
261	L	76.8	Confident	82.7	Confident	24 Å²	24	54.7 Å²	54.7	13%	0.126	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-12.5	-175.8	-58.9	179.7	0	0	0	114.7	Y202 V258 E263 L288 E289 L322	Y202-L261 HydrophobicContact CD1-CD1 4.24Å; Y202-L261 HydrophobicContact CD1-CD2 4.19Å; Y202-L261 HydrophobicContact CD1-CG 4.5Å; Y202-L261 HydrophobicContact CD2-CD1 4.41Å; Y202-L261 HydrophobicContact CD2-CD2 3.82Å; Y202-L261 HydrophobicContact CD2-CG 3.93Å; Y202-L261 HydrophobicContact CE1-CD1 3.93Å; Y202-L261 HydrophobicContact CE1-CG 4.47Å; Y202-L261 HydrophobicContact CE2-CD1 4.13Å; Y202-L261 HydrophobicContact CE2-CD2 4.32Å; Y202-L261 HydrophobicContact CE2-CG 3.92Å; Y202-L261 HydrophobicContact CG-CD1 4.48Å; Y202-L261 HydrophobicContact CG-CD2 3.76Å; Y202-L261 HydrophobicContact CG-CG 4.24Å; V258-L261 HydrophobicContact CG1-CD2 4.44Å; L261-E263 PolarHBondContact O-N 2.88Å; L261-L288 HydrophobicContact CB-CB 4.45Å; L261-L288 HydrophobicContact CD2-CB 4.29Å; L261-E289 HydrophobicContact CB-CG 4.1Å; L261-E289 WeakPolarHBondContact O-CG 3.31Å; L261-L322 HydrophobicContact CD1-CD2 4Å; L261-L322 HydrophobicContact CD2-CD1 3.88Å; L261-L322 HydrophobicContact CD2-CD2 3.93Å
262	R	78.1	Confident	82.6	Confident	201 Å²	201	53.5 Å²	53.5	76%	0.758	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-22.4	-178.1	-64.5	175	174.5	172.7	-0.3	114.1	T260 P264 E289	T260-R262 VanDerWaalsContact C-N 3.27Å; T260-R262 HydrophobicContact CG2-CB 3.79Å; T260-R262 HydrophobicContact CG2-CG 3.83Å; T260-R262 PolarHBondContact O-N 2.99Å; R262-P264 WeakPolarHBondContact O-CD 3.36Å; R262-E289 WeakPolarHBondContact CA-OE1 3.4Å; R262-E289 VanDerWaalsContact CG-OE1 3.29Å; R262-E289 WeakPolarHBondContact CG-OE1 3.22Å
263	E	81.1	Confident	82.8	Confident	92 Å²	92	54.8 Å²	54.8	43%	0.43	25%	0.251	S	S	.	.	S	Bend	trans	-87	118.6	178.4	-62.9	-164	146.8	0	0	110.6	I231 G232 L261 L288	I231-E263 HydrophobicContact CG2-CB 3.99Å; I231-E263 WeakPolarHBondContact CG2-OE2 3.22Å; G232-E263 VanDerWaalsContact CA-CD 3.47Å; G232-E263 WeakPolarHBondContact CA-OE1 3.45Å; G232-E263 WeakPolarHBondContact CA-OE2 3.38Å; G232-E263 PolarHBondContact N-OE2 2.83Å; L261-E263 PolarHBondContact O-N 2.88Å; E263-L288 WeakPolarHBondContact O-CD1 3.25Å
264	P	87.1	Confident	81.6	Confident	39 Å²	39	52.8 Å²	52.8	25%	0.253	25%	0.247	S	C	.	.			trans	-70	144.4	176	29.1	-34.1	0	0	0	111.2	R262 Y266 Y285 L286	R262-P264 WeakPolarHBondContact O-CD 3.36Å; P264-Y266 PolarHBondContact O-N 3.14Å; P264-Y285 HydrophobicContact CB-CD1 4.45Å; P264-Y285 HydrophobicContact CG-CD1 4.22Å; P264-L286 CarbonylContact C-O 3.57Å; P264-L286 WeakPolarHBondContact CA-O 3.48Å
265	L	87.4	Confident	80.1	Confident	0 Å²	0	56 Å²	56	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	108.7	167.1	-180	80.8	0	0	0	108.4	I206 F229 I231 L256 V267 L286 L288	I206-L265 HydrophobicContact CD1-CD1 4.16Å; I206-L265 HydrophobicContact CD1-CD2 3.68Å; F229-L265 HydrophobicContact CB-CD1 3.95Å; F229-L265 HydrophobicContact CG-CD1 4.37Å; I231-L265 HydrophobicContact CD1-CD1 3.89Å; I231-L265 HydrophobicContact CG1-CD1 3.71Å; L256-L265 HydrophobicContact CD1-CD1 3.95Å; L265-V267 HydrophobicContact CD2-CG2 4.14Å; L265-V267 HydrophobicContact CG-CG2 4.22Å; L265-L286 HydrophobicContact CB-CB 4.25Å; L265-L286 HydrophobicContact CD2-CB 4.48Å; L265-L286 HydrophobicContact CD2-CD2 4.14Å; L265-L286 PolarHBondContact N-O 3.03Å; L265-L286 PolarHBondContact O-N 2.73Å; L265-L288 HydrophobicContact CB-CD2 4.06Å
266	Y	90.4	Very high	79.3	Confident	39 Å²	39	58.7 Å²	58.7	15%	0.153	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	117.3	177.2	-176.4	-142.8	0	0	0	110.1	F229 K230 P264 K268 S283 A284 Y285	F229-Y266 CarbonylContact C-O 3.55Å; K230-Y266 PolarHBondContact N-O 3.24Å; K230-Y266 PolarHBondContact O-N 3Å; P264-Y266 PolarHBondContact O-N 3.14Å; Y266-K268 HydrophobicContact CD1-CD 4.25Å; Y266-K268 HydrophobicContact CD1-CG 4.24Å; Y266-K268 HydrophobicContact CE1-CD 3.54Å; Y266-K268 HydrophobicContact CE1-CG 3.85Å; Y266-K268 HydrophobicContact CE2-CG 4.27Å; Y266-K268 WeakPolarHBondContact OH-CE 3.21Å; Y266-K268 PolarHBondContact OH-NZ 3.34Å; Y266-S283 WeakPolarHBondContact OH-CB 3.39Å; Y266-S283 PolarHBondContact OH-OG 3.2Å; Y266-S283 VanDerWaalsContact OH-OG 3.08Å; Y266-A284 WeakPolarHBondContact CD2-O 3.43Å; Y266-Y285 HydrophobicContact CD1-CE1 4.3Å; Y266-Y285 AromaticContact CD2-CD1 3.51Å; Y266-Y285 HydrophobicContact CD2-CD1 3.51Å; Y266-Y285 HydrophobicContact CD2-CD2 4.11Å; Y266-Y285 AromaticContact CD2-CE1 3.22Å; Y266-Y285 HydrophobicContact CD2-CE1 3.22Å; Y266-Y285 AromaticContact CD2-CE2 3.86Å; Y266-Y285 HydrophobicContact CD2-CE2 3.86Å; Y266-Y285 AromaticContact CD2-CG 3.94Å; Y266-Y285 HydrophobicContact CD2-CG 3.94Å; Y266-Y285 AromaticContact CD2-CZ 3.42Å; Y266-Y285 VanDerWaalsContact CD2-CZ 3.42Å; Y266-Y285 HydrophobicContact CE2-CD1 4.27Å; Y266-Y285 HydrophobicContact CE2-CD2 4.19Å; Y266-Y285 AromaticContact CE2-CE1 3.71Å; Y266-Y285 HydrophobicContact CE2-CE1 3.71Å; Y266-Y285 AromaticContact CE2-CE2 3.61Å; Y266-Y285 HydrophobicContact CE2-CE2 3.61Å; Y266-Y285 HydrophobicContact CE2-CG 4.49Å; Y266-Y285 AromaticContact CE2-CZ 3.34Å; Y266-Y285 AromaticContact CG-CD1 4Å; Y266-Y285 HydrophobicContact CG-CD1 4Å; Y266-Y285 AromaticContact CG-CE1 3.59Å; Y266-Y285 HydrophobicContact CG-CE1 3.59Å; Y266-Y285 AromaticContact CZ-CZ 3.97Å
267	V	91.9	Very high	78.9	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	131.9	-176.6	-176.5	0	0	0	0	109.1	V227 K228 F229 L265 S283 A284 L301 L316	V227-V267 HydrophobicContact CG1-CG1 3.56Å; K228-V267 WeakPolarHBondContact O-CA 3.5Å; F229-V267 HydrophobicContact CD1-CB 4.28Å; F229-V267 HydrophobicContact CD1-CG1 3.89Å; F229-V267 HydrophobicContact CD1-CG2 3.81Å; F229-V267 HydrophobicContact CE1-CG1 3.82Å; F229-V267 HydrophobicContact CE1-CG2 4.04Å; L265-V267 HydrophobicContact CD2-CG2 4.14Å; L265-V267 HydrophobicContact CG-CG2 4.22Å; V267-S283 CarbonylContact O-C 3.56Å; V267-S283 WeakPolarHBondContact O-CA 3.32Å; V267-S283 WeakPolarHBondContact O-CB 3.4Å; V267-A284 PolarHBondContact N-O 3.41Å; V267-A284 PolarHBondContact O-N 2.77Å; V267-L301 HydrophobicContact CB-CD1 4.41Å; V267-L301 HydrophobicContact CG2-CD1 3.89Å; V267-L316 HydrophobicContact CG1-CD1 3.44Å; V267-L316 VanDerWaalsContact CG1-CD1 3.44Å
268	K	92.2	Very high	79.2	Confident	43 Å²	43	64.4 Å²	64.4	19%	0.187	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	138.4	176.4	-53	-162.1	75	139.9	0	110.6	V227 K228 Y266 F270 F280	V227-K268 CarbonylContact C-O 3.47Å; V227-K268 WeakPolarHBondContact CA-O 3.36Å; K228-K268 PolarHBondContact N-O 3.48Å; K228-K268 PolarHBondContact O-N 2.82Å; Y266-K268 HydrophobicContact CD1-CD 4.25Å; Y266-K268 HydrophobicContact CD1-CG 4.24Å; Y266-K268 HydrophobicContact CE1-CD 3.54Å; Y266-K268 HydrophobicContact CE1-CG 3.85Å; Y266-K268 HydrophobicContact CE2-CG 4.27Å; Y266-K268 WeakPolarHBondContact OH-CE 3.21Å; Y266-K268 PolarHBondContact OH-NZ 3.34Å; K268-F270 HydrophobicContact CB-CD2 4.26Å; K268-F270 HydrophobicContact CB-CE2 3.57Å; K268-F270 HydrophobicContact CB-CZ 4.27Å; K268-F270 HydrophobicContact CD-CE2 4.36Å; K268-F270 HydrophobicContact CD-CZ 4.34Å; K268-F280 HydrophobicContact CB-CE2 4.48Å
269	V	92.1	Very high	79.6	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	140.6	175.8	-168.5	0	0	0	0	109	L214 P225 Y226 V227 M281 G282 L303 L316	L214-V269 HydrophobicContact CD1-CG1 4.33Å; P225-V269 HydrophobicContact CB-CG1 4.36Å; Y226-V269 WeakPolarHBondContact O-CA 3.11Å; V227-V269 HydrophobicContact CG2-CG2 4.24Å; V269-M281 HydrophobicContact CB-CB 4.09Å; V269-M281 HydrophobicContact CG1-CB 3.97Å; V269-M281 HydrophobicContact CG1-CG 4.5Å; V269-M281 HydrophobicContact CG1-SD 3.88Å; V269-M281 PolarHBondContact O-N 3.38Å; V269-G282 PolarHBondContact N-O 2.94Å; V269-G282 PolarHBondContact O-N 2.89Å; V269-L303 HydrophobicContact CB-CD1 4.19Å; V269-L303 HydrophobicContact CG2-CD1 3.67Å; V269-L303 HydrophobicContact CG2-CD2 3.75Å; V269-L303 HydrophobicContact CG2-CG 4.39Å; V269-L316 HydrophobicContact CG2-CD1 3.72Å; V269-L316 HydrophobicContact CG2-CD2 4.09Å; V269-L316 HydrophobicContact CG2-CG 4.17Å
270	F	90.9	Very high	80.4	Confident	34 Å²	34	62.9 Å²	62.9	15%	0.149	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	147.8	-177	-69.1	-89.7	0	0	0	110.2	P225 Y226 K228 K268 D278 D279 F280	P225-F270 WeakPolarHBondContact CA-O 3.33Å; Y226-F270 HydrophobicContact CD1-CB 4.21Å; Y226-F270 WeakPolarHBondContact CD1-O 3.38Å; Y226-F270 HydrophobicContact CE1-CB 3.49Å; Y226-F270 VanDerWaalsContact CE1-CB 3.49Å; Y226-F270 HydrophobicContact CE2-CB 4.03Å; Y226-F270 HydrophobicContact CE2-CD2 4.14Å; Y226-F270 HydrophobicContact CE2-CG 4.44Å; Y226-F270 AromaticContact CZ-CG 3.97Å; Y226-F270 PolarHBondContact N-O 3.03Å; Y226-F270 PolarHBondContact O-N 3.01Å; Y226-F270 WeakPolarHBondContact OH-CB 3.33Å; K228-F270 HydrophobicContact CD-CD2 3.95Å; K228-F270 HydrophobicContact CD-CE2 3.76Å; K268-F270 HydrophobicContact CB-CD2 4.26Å; K268-F270 HydrophobicContact CB-CE2 3.57Å; K268-F270 HydrophobicContact CB-CZ 4.27Å; K268-F270 HydrophobicContact CD-CE2 4.36Å; K268-F270 HydrophobicContact CD-CZ 4.34Å; F270-D278 HydrophobicContact CB-CB 4.38Å; F270-D278 HydrophobicContact CD1-CB 4.41Å; F270-D279 CarbonylContact C-O 3.47Å; F270-D279 VanDerWaalsContact CA-O 3.25Å; F270-D279 WeakPolarHBondContact CA-O 3.17Å; F270-F280 HydrophobicContact CD1-CB 4.44Å; F270-F280 HydrophobicContact CD1-CD2 4.28Å; F270-F280 HydrophobicContact CE1-CB 4.36Å; F270-F280 AromaticContact CE1-CD2 3.92Å; F270-F280 HydrophobicContact CE1-CD2 3.92Å; F270-F280 HydrophobicContact CZ-CD2 4.2Å
271	D	88.8	Confident	81.1	Confident	4 Å²	4	59.4 Å²	59.4	2%	0.021	29%	0.294	C	S	.	.			trans	-80	158.3	167.1	-150.5	-19.5	0	0	0	109	R217 S223 D224 D278 D279 M281	R217-D271 HydrophobicContact CB-CB 4.35Å; R217-D271 WeakPolarHBondContact CB-OD2 3.42Å; S223-D271 WeakPolarHBondContact CB-OD2 3.38Å; S223-D271 PolarHBondContact OG-OD2 3.04Å; D224-D271 WeakPolarHBondContact CA-OD1 3.49Å; D224-D271 PolarHBondContact N-OD1 2.97Å; D271-D278 WeakPolarHBondContact O-CA 3.32Å; D271-D278 VanDerWaalsContact O-CB 3.31Å; D271-D278 WeakPolarHBondContact O-CB 3.47Å; D271-D279 HydrophobicContact CB-CB 4.13Å; D271-D279 PolarHBondContact N-O 3.23Å; D271-M281 HydrophobicContact CB-CG 4.08Å; D271-M281 HydrophobicContact CB-SD 4.06Å; D271-M281 PolarHBondContact N-SD 3.01Å; D271-M281 VanDerWaalsContact N-SD 3.41Å
272	Y	84.8	Confident	81.6	Confident	81 Å²	81	58.3 Å²	58.3	32%	0.318	29%	0.288	S	S	.	.			trans	-111.7	79	-176	-177.9	-110.6	0	0	0	113.2	D224 T241 F274	D224-Y272 PolarHBondContact O-N 3.17Å; T241-Y272 HydrophobicContact CG2-CD1 4.11Å; T241-Y272 HydrophobicContact CG2-CG 4.07Å; Y272-F274 PolarHBondContact O-N 2.8Å
273	D	79.4	Confident	82.3	Confident	39 Å²	39	49 Å²	49	21%	0.209	25%	0.254	C	S	.	.			trans	-73.9	114.9	177.8	-61.9	-90.4	0	0	0	113.5	G275 L276 D279	D273-G275 PolarHBondContact O-N 2.83Å; D273-L276 HydrophobicContact CB-CB 4.05Å; D273-D279 WeakPolarHBondContact OD2-CB 3.22Å; D273-D279 PolarHBondContact OD2-N 2.88Å
274	F	55.8	Low	82.8	Confident	111 Å²	111	45 Å²	45	49%	0.487	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	98.6	179	-175.9	-100.8	0	0	0	112.7	Y272 R391	Y272-F274 PolarHBondContact O-N 2.8Å; F274-R391 VanDerWaalsContact CZ-NH2 3.34Å
275	G	51.7	Low	82.9	Confident	74 Å²	74	49.3 Å²	49.3	76%	0.763	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	92.1	7.4	173.5	0	0	0	0	0	115.2	D273	D273-G275 PolarHBondContact O-N 2.83Å
276	L	64	Low	82.9	Confident	139 Å²	139	50 Å²	50	73%	0.728	25%	0.253	S	S	*	.	S	Bend	trans	-111.3	-155.4	164.3	-62.1	175	0	0	0	108.9	D273	D273-L276 HydrophobicContact CB-CB 4.05Å
277	Q	70	Confident	82.8	Confident	173 Å²	173	53 Å²	53	81%	0.808	27%	0.268	S	S	*	.			trans	-101.6	121.9	172.6	174.3	-179.1	-38.8	0	0	108.6	D279	Q277-D279 PolarHBondContact O-N 2.86Å; Q277-D279 VanDerWaalsContact O-N 3.14Å
278	D	84.6	Confident	82.3	Confident	38 Å²	38	53 Å²	53	20%	0.203	27%	0.268	C	S	.	.			trans	-38.7	111.6	175.6	-57.1	43.8	0	0	0	112.3	Y226 R238 F270 D271	Y226-D278 HydrophobicContact CE1-CB 4.34Å; Y226-D278 WeakPolarHBondContact CE1-OD2 3.31Å; Y226-D278 VanDerWaalsContact CZ-OD2 3.23Å; Y226-D278 PolarHBondContact OH-OD2 2.89Å; R238-D278 IonicContact CZ-OD2 3.92Å; R238-D278 IonicContact NH1-OD2 2.91Å; R238-D278 IonicContact NH2-OD2 3.08Å; R238-D278 PolarHBondContact NH2-OD2 2.73Å; F270-D278 HydrophobicContact CB-CB 4.38Å; F270-D278 HydrophobicContact CD1-CB 4.41Å; D271-D278 WeakPolarHBondContact O-CA 3.32Å; D271-D278 VanDerWaalsContact O-CB 3.31Å; D271-D278 WeakPolarHBondContact O-CB 3.47Å
279	D	84.4	Confident	81.6	Confident	78 Å²	78	57 Å²	57	42%	0.417	29%	0.287	S	S	.	.			trans	-71.4	145.4	-172.3	-133.2	7.1	0	0	0	112.4	R217 F270 D271 D273 Q277 M281	R217-D279 HydrophobicContact CB-CB 4.1Å; R217-D279 HydrophobicContact CG-CB 4.18Å; F270-D279 CarbonylContact C-O 3.47Å; F270-D279 VanDerWaalsContact CA-O 3.25Å; F270-D279 WeakPolarHBondContact CA-O 3.17Å; D271-D279 HydrophobicContact CB-CB 4.13Å; D271-D279 PolarHBondContact N-O 3.23Å; D273-D279 WeakPolarHBondContact OD2-CB 3.22Å; D273-D279 PolarHBondContact OD2-N 2.88Å; Q277-D279 PolarHBondContact O-N 2.86Å; Q277-D279 VanDerWaalsContact O-N 3.14Å; D279-M281 PolarHBondContact O-N 3.2Å
280	F	87.5	Confident	81	Confident	39 Å²	39	61.3 Å²	61.3	17%	0.171	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	117.1	-171.8	178.2	-120.6	0	0	0	112.3	R217 K268 F270 G282 D305	R217-F280 VanDerWaalsContact CZ-O 3.25Å; R217-F280 PolarHBondContact NE-O 3.34Å; R217-F280 PolarHBondContact NH2-O 2.88Å; K268-F280 HydrophobicContact CB-CE2 4.48Å; F270-F280 HydrophobicContact CD1-CB 4.44Å; F270-F280 HydrophobicContact CD1-CD2 4.28Å; F270-F280 HydrophobicContact CE1-CB 4.36Å; F270-F280 AromaticContact CE1-CD2 3.92Å; F270-F280 HydrophobicContact CE1-CD2 3.92Å; F270-F280 HydrophobicContact CZ-CD2 4.2Å; F280-G282 WeakPolarHBondContact CE2-O 3.46Å; F280-G282 VanDerWaalsContact CZ-CA 3.49Å; F280-D305 HydrophobicContact CE1-CB 4.37Å
281	M	83.9	Confident	80.4	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	-24.4	-178.7	-59.5	177.3	91.6	0	0	113.5	L214 A215 R217 S223 P225 V269 D271 D279 L313	L214-M281 HydrophobicContact CB-CE 3.94Å; A215-M281 WeakPolarHBondContact O-CE 3.08Å; R217-M281 HydrophobicContact CG-CG 4.3Å; S223-M281 VanDerWaalsContact CB-CE 3.41Å; P225-M281 HydrophobicContact CB-CE 4.04Å; P225-M281 HydrophobicContact CB-SD 3.73Å; V269-M281 HydrophobicContact CB-CB 4.09Å; V269-M281 HydrophobicContact CG1-CB 3.97Å; V269-M281 HydrophobicContact CG1-CG 4.5Å; V269-M281 HydrophobicContact CG1-SD 3.88Å; V269-M281 PolarHBondContact O-N 3.38Å; D271-M281 HydrophobicContact CB-CG 4.08Å; D271-M281 HydrophobicContact CB-SD 4.06Å; D271-M281 PolarHBondContact N-SD 3.01Å; D271-M281 VanDerWaalsContact N-SD 3.41Å; D279-M281 PolarHBondContact O-N 3.2Å; M281-L313 WeakPolarHBondContact O-CB 3.44Å
282	G	88.4	Confident	79.8	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	151.3	173.5	175.4	0	0	0	0	0	114	V269 F280	V269-G282 PolarHBondContact N-O 2.94Å; V269-G282 PolarHBondContact O-N 2.89Å; F280-G282 WeakPolarHBondContact CE2-O 3.46Å; F280-G282 VanDerWaalsContact CZ-CA 3.49Å
283	S	91.7	Very high	79.5	Confident	5 Å²	5	66.1 Å²	66.1	4%	0.035	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	156.2	178.9	65.4	0	0	0	0	114.4	Y266 V267 K304	Y266-S283 WeakPolarHBondContact OH-CB 3.39Å; Y266-S283 PolarHBondContact OH-OG 3.2Å; Y266-S283 VanDerWaalsContact OH-OG 3.08Å; V267-S283 CarbonylContact O-C 3.56Å; V267-S283 WeakPolarHBondContact O-CA 3.32Å; V267-S283 WeakPolarHBondContact O-CB 3.4Å; S283-K304 PolarHBondContact N-O 2.67Å; S283-K304 PolarHBondContact O-N 3.3Å; S283-K304 PolarHBondContact OG-O 2.56Å
284	A	91.6	Very high	79.1	Confident	9 Å²	9	71.6 Å²	71.6	7%	0.074	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	157.1	178.8	0	0	0	0	0	111.2	Y266 V267 L301 L303	Y266-A284 WeakPolarHBondContact CD2-O 3.43Å; V267-A284 PolarHBondContact N-O 3.41Å; V267-A284 PolarHBondContact O-N 2.77Å; A284-L301 HydrophobicContact CB-CB 3.83Å; A284-L301 HydrophobicContact CB-CD1 4.16Å; A284-L301 HydrophobicContact CB-CG 4.45Å; A284-L303 HydrophobicContact CB-CD2 4.33Å
285	Y	89.8	Confident	80.4	Confident	129 Å²	129	73 Å²	73	51%	0.506	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	133.6	175.6	-65.4	-91.6	0	0	0	109.9	P264 Y266	P264-Y285 HydrophobicContact CB-CD1 4.45Å; P264-Y285 HydrophobicContact CG-CD1 4.22Å; Y266-Y285 HydrophobicContact CD1-CE1 4.3Å; Y266-Y285 AromaticContact CD2-CD1 3.51Å; Y266-Y285 HydrophobicContact CD2-CD1 3.51Å; Y266-Y285 HydrophobicContact CD2-CD2 4.11Å; Y266-Y285 AromaticContact CD2-CE1 3.22Å; Y266-Y285 HydrophobicContact CD2-CE1 3.22Å; Y266-Y285 AromaticContact CD2-CE2 3.86Å; Y266-Y285 HydrophobicContact CD2-CE2 3.86Å; Y266-Y285 AromaticContact CD2-CG 3.94Å; Y266-Y285 HydrophobicContact CD2-CG 3.94Å; Y266-Y285 AromaticContact CD2-CZ 3.42Å; Y266-Y285 VanDerWaalsContact CD2-CZ 3.42Å; Y266-Y285 HydrophobicContact CE2-CD1 4.27Å; Y266-Y285 HydrophobicContact CE2-CD2 4.19Å; Y266-Y285 AromaticContact CE2-CE1 3.71Å; Y266-Y285 HydrophobicContact CE2-CE1 3.71Å; Y266-Y285 AromaticContact CE2-CE2 3.61Å; Y266-Y285 HydrophobicContact CE2-CE2 3.61Å; Y266-Y285 HydrophobicContact CE2-CG 4.49Å; Y266-Y285 AromaticContact CE2-CZ 3.34Å; Y266-Y285 AromaticContact CG-CD1 4Å; Y266-Y285 HydrophobicContact CG-CD1 4Å; Y266-Y285 AromaticContact CG-CE1 3.59Å; Y266-Y285 HydrophobicContact CG-CE1 3.59Å; Y266-Y285 AromaticContact CZ-CZ 3.97Å
286	L	88.1	Confident	81.9	Confident	16 Å²	16	73.2 Å²	73.2	8%	0.084	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	112.2	169.8	173.5	60.1	0	0	0	109.4	P264 L265 L288 L291 V299 L301 V320	P264-L286 CarbonylContact C-O 3.57Å; P264-L286 WeakPolarHBondContact CA-O 3.48Å; L265-L286 HydrophobicContact CB-CB 4.25Å; L265-L286 HydrophobicContact CD2-CB 4.48Å; L265-L286 HydrophobicContact CD2-CD2 4.14Å; L265-L286 PolarHBondContact N-O 3.03Å; L265-L286 PolarHBondContact O-N 2.73Å; L286-L288 PolarHBondContact O-N 2.8Å; L286-L291 HydrophobicContact CD1-CD2 4.37Å; L286-V299 HydrophobicContact CD1-CG1 4.21Å; L286-L301 HydrophobicContact CB-CD1 4.26Å; L286-L301 HydrophobicContact CB-CD2 4.34Å; L286-V320 HydrophobicContact CD2-CG1 4.34Å; L286-V320 HydrophobicContact CD2-CG2 3.88Å
287	H	86.3	Confident	83	Confident	102 Å²	102	70 Å²	70	47%	0.472	34%	0.343	S	S	.	.			trans	-76.2	117.4	177.6	-67.6	-92.9	0	0	0	110.1	E289 S290	H287-E289 VanDerWaalsContact C-N 3.28Å; H287-E289 PolarHBondContact O-N 2.89Å; H287-S290 WeakPolarHBondContact O-CB 3.37Å; H287-S290 PolarHBondContact O-N 2.93Å
288	L	82.9	Confident	83.8	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-72.2	-24.2	-174.4	-57.7	-178.7	0	0	0	112.7	L204 V258 L261 E263 L265 L286 S290 L291	L204-L288 HydrophobicContact CD1-CD2 4.1Å; L204-L288 HydrophobicContact CD2-CD1 3.86Å; L204-L288 HydrophobicContact CD2-CD2 3.55Å; L204-L288 HydrophobicContact CD2-CG 4.38Å; V258-L288 HydrophobicContact CG1-CD1 4.05Å; V258-L288 HydrophobicContact CG2-CD1 4.28Å; L261-L288 HydrophobicContact CB-CB 4.45Å; L261-L288 HydrophobicContact CD2-CB 4.29Å; E263-L288 WeakPolarHBondContact O-CD1 3.25Å; L265-L288 HydrophobicContact CB-CD2 4.06Å; L286-L288 PolarHBondContact O-N 2.8Å; L288-S290 PolarHBondContact O-N 2.71Å; L288-L291 HydrophobicContact CB-CD1 4.47Å; L288-L291 HydrophobicContact CD2-CD1 3.76Å; L288-L291 WeakPolarHBondContact O-CB 3.48Å; L288-L291 PolarHBondContact O-N 3.45Å
289	E	78	Confident	84	Confident	125 Å²	125	65.6 Å²	65.6	58%	0.584	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-63.6	-19.7	171.9	-53	-172.4	144	0	0	113.2	L261 R262 H287 L291	L261-E289 HydrophobicContact CB-CG 4.1Å; L261-E289 WeakPolarHBondContact O-CG 3.31Å; R262-E289 WeakPolarHBondContact CA-OE1 3.4Å; R262-E289 VanDerWaalsContact CG-OE1 3.29Å; R262-E289 WeakPolarHBondContact CG-OE1 3.22Å; H287-E289 VanDerWaalsContact C-N 3.28Å; H287-E289 PolarHBondContact O-N 2.89Å; E289-L291 VanDerWaalsContact C-N 3.33Å
290	S	77.8	Confident	84.3	Confident	92 Å²	92	65.5 Å²	65.5	64%	0.643	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-88.4	4.6	179.1	-49.9	0	0	0	0	113.8	H287 L288	H287-S290 WeakPolarHBondContact O-CB 3.37Å; H287-S290 PolarHBondContact O-N 2.93Å; L288-S290 PolarHBondContact O-N 2.71Å
291	L	79	Confident	84.3	Confident	11 Å²	11	64.4 Å²	64.4	6%	0.058	32%	0.323	C	S	.	.	S	Bend	trans	-97	129.9	-178.1	-60.9	173.5	0	0	0	111.3	L204 L286 L288 E289 L297 V320 L322	L204-L291 HydrophobicContact CD1-CD1 3.81Å; L286-L291 HydrophobicContact CD1-CD2 4.37Å; L288-L291 HydrophobicContact CB-CD1 4.47Å; L288-L291 HydrophobicContact CD2-CD1 3.76Å; L288-L291 WeakPolarHBondContact O-CB 3.48Å; L288-L291 PolarHBondContact O-N 3.45Å; E289-L291 VanDerWaalsContact C-N 3.33Å; L291-L297 HydrophobicContact CD2-CD2 3.96Å; L291-V320 HydrophobicContact CD1-CG1 3.66Å; L291-V320 HydrophobicContact CD2-CB 4.43Å; L291-V320 HydrophobicContact CD2-CG1 4.19Å; L291-L322 HydrophobicContact CB-CB 4.05Å; L291-L322 HydrophobicContact CB-CD2 4.08Å; L291-L322 HydrophobicContact CD1-CB 4.3Å
292	E	76.1	Confident	84.6	Confident	113 Å²	113	69.4 Å²	69.4	53%	0.528	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-68.1	134.2	172	-72.1	-177.1	-158.1	0	0	111.4	R295	E292-R295 HydrophobicContact CB-CB 4.08Å; E292-R295 VanDerWaalsContact CD-NH1 3.29Å; E292-R295 IonicContact OE1-NH1 2.8Å; E292-R295 PolarHBondContact OE1-NH1 2.94Å; E292-R295 VanDerWaalsContact OE1-NH1 3.14Å; E292-R295 WeakPolarHBondContact OE2-CD 3.42Å; E292-R295 IonicContact OE2-CZ 2.68Å; E292-R295 IonicContact OE2-NE 3.4Å; E292-R295 IonicContact OE2-NH1 3.89Å; E292-R295 PolarHBondContact OE2-NH1 2.68Å
293	H	78.4	Confident	84.7	Confident	96 Å²	96	69.6 Å²	69.6	44%	0.444	35%	0.351	S	S	.	.	B	Isolated β-bridge	trans	-69.8	139.5	179.6	-68	87.3	0	0	0	111.8	Y202 R295	Y202-H293 AromaticContact CD1-NE2 3.86Å; Y202-H293 AromaticContact CE1-CD2 3.87Å; Y202-H293 AromaticContact CE1-NE2 3.34Å; Y202-H293 VanDerWaalsContact CE1-NE2 3.34Å; Y202-H293 WeakPolarHBondContact CE1-NE2 3.36Å; H293-R295 PolarHBondContact O-N 2.87Å; H293-R295 VanDerWaalsContact O-N 3.15Å
294	Q	71.9	Confident	84.5	Confident	154 Å²	154	75.5 Å²	75.5	72%	0.72	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.8	11.7	-178	-60.6	-176.8	-25.6	0	0	115.7	L322 P324	Q294-L322 WeakPolarHBondContact CA-O 3.24Å; Q294-L322 PolarHBondContact N-O 2.96Å; Q294-P324 HydrophobicContact CG-CG 4.46Å
295	R	81.4	Confident	84	Confident	141 Å²	141	75.7 Å²	75.7	53%	0.532	38%	0.376	S	S	.	.			trans	-112.3	138.5	177.7	-167.4	178.2	-177.1	-179.3	-2.1	111.4	E292 H293	E292-R295 HydrophobicContact CB-CB 4.08Å; E292-R295 VanDerWaalsContact CD-NH1 3.29Å; E292-R295 IonicContact OE1-NH1 2.8Å; E292-R295 PolarHBondContact OE1-NH1 2.94Å; E292-R295 VanDerWaalsContact OE1-NH1 3.14Å; E292-R295 WeakPolarHBondContact OE2-CD 3.42Å; E292-R295 IonicContact OE2-CZ 2.68Å; E292-R295 IonicContact OE2-NE 3.4Å; E292-R295 IonicContact OE2-NH1 3.89Å; E292-R295 PolarHBondContact OE2-NH1 2.68Å; H293-R295 PolarHBondContact O-N 2.87Å; H293-R295 VanDerWaalsContact O-N 3.15Å
296	S	83.8	Confident	83.3	Confident	77 Å²	77	73.7 Å²	73.7	54%	0.538	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	115.3	168.8	57.8	0	0	0	0	110.1	T321	S296-T321 WeakPolarHBondContact CA-OG1 3.44Å; S296-T321 VanDerWaalsContact CB-OG1 3.31Å; S296-T321 WeakPolarHBondContact CB-OG1 3.5Å
297	L	86.9	Confident	82.4	Confident	73 Å²	73	79.3 Å²	79.3	38%	0.382	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	128.1	176.4	-176.5	65.7	0	0	0	110	L291 V299 T319 V320	L291-L297 HydrophobicContact CD2-CD2 3.96Å; L297-V299 HydrophobicContact CB-CG2 4.4Å; L297-V299 HydrophobicContact CD2-CG2 3.83Å; L297-V299 HydrophobicContact CG-CG2 3.86Å; L297-T319 CarbonylContact O-C 3.58Å; L297-T319 WeakPolarHBondContact O-CA 3.49Å; L297-V320 PolarHBondContact N-O 2.93Å; L297-V320 PolarHBondContact O-N 2.87Å
298	D	87.7	Confident	81.7	Confident	100 Å²	100	81.7 Å²	81.7	54%	0.535	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	121.2	166.3	-87.9	-16.5	0	0	0	109.5	K209 L318 T319	K209-D298 IonicContact NZ-OD1 2.67Å; K209-D298 PolarHBondContact NZ-OD1 3.17Å; K209-D298 IonicContact NZ-OD2 3.68Å; K209-D298 PolarHBondContact NZ-OD2 2.8Å; D298-L318 CarbonylContact C-O 3.54Å; D298-L318 WeakPolarHBondContact CA-O 3.35Å; D298-T319 WeakPolarHBondContact OD1-CB 3.12Å; D298-T319 WeakPolarHBondContact OD1-CG2 3.36Å; D298-T319 PolarHBondContact OD1-OG1 2.95Å
299	V	87.9	Confident	80.9	Confident	18 Å²	18	86.2 Å²	86.2	11%	0.109	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	126.6	-174.6	-177.7	0	0	0	0	108.8	L286 L297 L301 L318 V320	L286-V299 HydrophobicContact CD1-CG1 4.21Å; L297-V299 HydrophobicContact CB-CG2 4.4Å; L297-V299 HydrophobicContact CD2-CG2 3.83Å; L297-V299 HydrophobicContact CG-CG2 3.86Å; V299-L301 HydrophobicContact CG1-CD2 3.65Å; V299-L301 HydrophobicContact CG1-CG 3.97Å; V299-L318 PolarHBondContact N-O 3.18Å; V299-L318 PolarHBondContact O-N 2.85Å; V299-V320 HydrophobicContact CG2-CG2 4.28Å
300	T	90.8	Very high	80.2	Confident	75 Å²	75	89.1 Å²	89.1	46%	0.46	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	128.9	163.6	-56.5	0	0	0	0	108.2	L316	T300-L316 CarbonylContact C-O 3.6Å; T300-L316 WeakPolarHBondContact CA-O 3.29Å
301	L	88.8	Confident	80	Confident	16 Å²	16	90.4 Å²	90.4	8%	0.084	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	111.8	175.8	-65.5	-176.4	0	0	0	109.6	V267 A284 L286 V299 S315 L316 L318	V267-L301 HydrophobicContact CB-CD1 4.41Å; V267-L301 HydrophobicContact CG2-CD1 3.89Å; A284-L301 HydrophobicContact CB-CB 3.83Å; A284-L301 HydrophobicContact CB-CD1 4.16Å; A284-L301 HydrophobicContact CB-CG 4.45Å; L286-L301 HydrophobicContact CB-CD1 4.26Å; L286-L301 HydrophobicContact CB-CD2 4.34Å; V299-L301 HydrophobicContact CG1-CD2 3.65Å; V299-L301 HydrophobicContact CG1-CG 3.97Å; L301-S315 CarbonylContact O-C 3.54Å; L301-S315 VanDerWaalsContact O-CA 3.31Å; L301-S315 WeakPolarHBondContact O-CA 3.46Å; L301-L316 PolarHBondContact N-O 2.93Å; L301-L316 PolarHBondContact O-N 3.36Å; L301-L318 HydrophobicContact CB-CD1 4.48Å; L301-L318 HydrophobicContact CD1-CD1 3.53Å; L301-L318 HydrophobicContact CG-CD1 3.9Å
302	D	90	Very high	79.9	Confident	105 Å²	105	95.5 Å²	95.5	56%	0.561	48%	0.476	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75	130.3	174	-52.6	-39.7	0	0	0	109.9
303	L	89.8	Confident	80.3	Confident	5 Å²	5	90.4 Å²	90.4	3%	0.026	45%	0.452	C	S	.	.			trans	-84.3	135.5	-174.7	-63	174.6	0	0	0	111	L214 V269 A284 L313 G314 L316	L214-L303 HydrophobicContact CD2-CD1 3.49Å; L214-L303 VanDerWaalsContact CD2-CD1 3.49Å; V269-L303 HydrophobicContact CB-CD1 4.19Å; V269-L303 HydrophobicContact CG2-CD1 3.67Å; V269-L303 HydrophobicContact CG2-CD2 3.75Å; V269-L303 HydrophobicContact CG2-CG 4.39Å; A284-L303 HydrophobicContact CB-CD2 4.33Å; L303-L313 HydrophobicContact CB-CB 3.97Å; L303-G314 WeakPolarHBondContact CB-O 3.31Å; L303-G314 PolarHBondContact N-O 3.04Å; L303-L316 HydrophobicContact CD1-CG 4.38Å; L303-L316 HydrophobicContact CD2-CD1 4Å; L303-L316 HydrophobicContact CD2-CG 4.11Å; L303-L316 HydrophobicContact CG-CG 4.45Å
304	K	86.6	Confident	80.7	Confident	129 Å²	129	86 Å²	86	56%	0.561	43%	0.433	S	S	*	.	B	Isolated β-bridge	trans	-129.5	142.1	179.6	-58.4	-171.5	-179.7	-172.4	0	111.3	S283	S283-K304 PolarHBondContact N-O 2.67Å; S283-K304 PolarHBondContact O-N 3.3Å; S283-K304 PolarHBondContact OG-O 2.56Å
305	D	82.9	Confident	81.7	Confident	13 Å²	13	79.6 Å²	79.6	7%	0.07	41%	0.405	C	S	.	.			trans	-92.5	121.8	170	-167.3	-25.9	0	0	0	108.6	R217 F280 Q307 Y308 L313	R217-D305 IonicContact NH2-OD2 2.65Å; F280-D305 HydrophobicContact CE1-CB 4.37Å; D305-Q307 PolarHBondContact O-N 2.93Å; D305-Q307 VanDerWaalsContact O-N 3.16Å; D305-Q307 WeakPolarHBondContact OD1-CB 3.45Å; D305-Q307 PolarHBondContact OD1-N 3.48Å; D305-Q307 PolarHBondContact OD1-OE1 2.93Å; D305-Y308 CarbonylContact O-C 3.59Å; D305-Y308 PolarHBondContact O-N 3.06Å; D305-Y308 VanDerWaalsContact O-N 3.17Å; D305-L313 HydrophobicContact CB-CD1 3.68Å; D305-L313 VanDerWaalsContact N-CD1 3.33Å
306	P	74.7	Confident	82.2	Confident	87 Å²	87	72.9 Å²	72.9	57%	0.565	38%	0.38	S	S	*	.	S	Bend	trans	-60.6	-18.8	174.3	-19.5	32	0	0	0	113.6
307	Q	68.6	Low	82.6	Confident	134 Å²	134	70.7 Å²	70.7	63%	0.626	36%	0.361	S	S	*	.	S	Bend	trans	-91.4	-26.9	176.4	-73.2	85.6	-44.5	0	0	113	D305	D305-Q307 PolarHBondContact O-N 2.93Å; D305-Q307 VanDerWaalsContact O-N 3.16Å; D305-Q307 WeakPolarHBondContact OD1-CB 3.45Å; D305-Q307 PolarHBondContact OD1-N 3.48Å; D305-Q307 PolarHBondContact OD1-OE1 2.93Å
308	Y	72	Confident	82.8	Confident	152 Å²	152	67.3 Å²	67.3	60%	0.596	34%	0.343	S	S	*	.			trans	-141.5	70.7	-173.9	-62	-73	0	0	0	112.4	D305 E310 H311	D305-Y308 CarbonylContact O-C 3.59Å; D305-Y308 PolarHBondContact O-N 3.06Å; D305-Y308 VanDerWaalsContact O-N 3.17Å; Y308-E310 PolarHBondContact O-N 2.86Å; Y308-E310 VanDerWaalsContact O-N 3.11Å; Y308-H311 PolarHBondContact O-N 3.21Å
309	P	66.4	Low	82.9	Confident	94 Å²	94	63.6 Å²	63.6	61%	0.61	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-9.8	-170.8	28.4	-37	0	0	0	115.6
310	E	62	Low	83	Confident	186 Å²	186	62.8 Å²	62.8	87%	0.869	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-10.3	179.8	-66.8	-82.8	121.9	0	0	113.7	Y308	Y308-E310 PolarHBondContact O-N 2.86Å; Y308-E310 VanDerWaalsContact O-N 3.11Å
311	H	73.5	Confident	82.8	Confident	120 Å²	120	60.9 Å²	60.9	56%	0.556	31%	0.308	S	S	*	.	S	Bend	trans	-88.9	132.7	-178.9	-75	54.5	0	0	0	111.5	Y308 L313	Y308-H311 PolarHBondContact O-N 3.21Å; H311-L313 HydrophobicContact CB-CD2 4.22Å; H311-L313 HydrophobicContact CB-CG 4.48Å; H311-L313 PolarHBondContact O-N 3.33Å
312	D	78.2	Confident	82.7	Confident	117 Å²	117	60.2 Å²	60.2	63%	0.626	30%	0.304	S	S	*	.			trans	-70.4	124.3	162.2	178.9	21.8	0	0	0	109.1	N213 G314	N213-D312 PolarHBondContact ND2-OD2 2.92Å; D312-G314 PolarHBondContact OD1-N 3.3Å
313	L	83.9	Confident	82.3	Confident	6 Å²	6	56.6 Å²	56.6	3%	0.031	29%	0.287	C	S	.	.			trans	-117.8	8.2	-179.5	-58.3	168.6	0	0	0	112	L214 A215 M281 L303 D305 H311	L214-L313 WeakPolarHBondContact CA-O 3.44Å; A215-L313 HydrophobicContact CB-CB 4.24Å; A215-L313 HydrophobicContact CB-CD2 3.62Å; A215-L313 PolarHBondContact N-O 2.99Å; M281-L313 WeakPolarHBondContact O-CB 3.44Å; L303-L313 HydrophobicContact CB-CB 3.97Å; D305-L313 HydrophobicContact CB-CD1 3.68Å; D305-L313 VanDerWaalsContact N-CD1 3.33Å; H311-L313 HydrophobicContact CB-CD2 4.22Å; H311-L313 HydrophobicContact CB-CG 4.48Å; H311-L313 PolarHBondContact O-N 3.33Å
314	G	87.8	Confident	81.7	Confident	3 Å²	3	58.3 Å²	58.3	3%	0.031	30%	0.299	C	S	.	.			trans	86.7	-174.3	-174.8	0	0	0	0	0	113.9	K212 N213 L303 D312	K212-G314 CarbonylContact O-C 3.51Å; K212-G314 WeakPolarHBondContact O-CA 3.48Å; N213-G314 WeakPolarHBondContact O-CA 3.31Å; N213-G314 PolarHBondContact O-N 2.65Å; L303-G314 WeakPolarHBondContact CB-O 3.31Å; L303-G314 PolarHBondContact N-O 3.04Å; D312-G314 PolarHBondContact OD1-N 3.3Å
315	S	91.1	Very high	80.9	Confident	20 Å²	20	55.6 Å²	55.6	14%	0.14	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	154.2	-177.2	53.7	0	0	0	0	112.5	G211 K212 L301	G211-S315 CarbonylContact C-O 3.47Å; G211-S315 WeakPolarHBondContact CA-O 3.13Å; K212-S315 PolarHBondContact N-O 3.31Å; K212-S315 PolarHBondContact O-N 3.4Å; L301-S315 CarbonylContact O-C 3.54Å; L301-S315 VanDerWaalsContact O-CA 3.31Å; L301-S315 WeakPolarHBondContact O-CA 3.46Å
316	L	92.3	Very high	79.6	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	136.8	171.8	-63.9	176.1	0	0	0	110.5	V227 W250 V267 V269 T300 L301 L303 L318	V227-L316 HydrophobicContact CG1-CD1 4.07Å; V227-L316 HydrophobicContact CG2-CD1 4.39Å; V227-L316 HydrophobicContact CG2-CD2 4.09Å; W250-L316 HydrophobicContact CH2-CD2 3.86Å; W250-L316 HydrophobicContact CZ3-CD2 3.65Å; V267-L316 HydrophobicContact CG1-CD1 3.44Å; V267-L316 VanDerWaalsContact CG1-CD1 3.44Å; V269-L316 HydrophobicContact CG2-CD1 3.72Å; V269-L316 HydrophobicContact CG2-CD2 4.09Å; V269-L316 HydrophobicContact CG2-CG 4.17Å; T300-L316 CarbonylContact C-O 3.6Å; T300-L316 WeakPolarHBondContact CA-O 3.29Å; L301-L316 PolarHBondContact N-O 2.93Å; L301-L316 PolarHBondContact O-N 3.36Å; L303-L316 HydrophobicContact CD1-CG 4.38Å; L303-L316 HydrophobicContact CD2-CD1 4Å; L303-L316 HydrophobicContact CD2-CG 4.11Å; L303-L316 HydrophobicContact CG-CG 4.45Å; L316-L318 HydrophobicContact CB-CD1 4.14Å
317	E	92.2	Very high	78.5	Confident	32 Å²	32	62.2 Å²	62.2	15%	0.15	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	121.9	172.2	-165.7	178.4	117.1	0	0	109.5	K209 K210 K212	K209-E317 WeakPolarHBondContact CB-O 3.48Å; K209-E317 HydrophobicContact CD-CG 4.08Å; K209-E317 PolarHBondContact N-O 3.05Å; K210-E317 WeakPolarHBondContact CE-OE1 3.48Å; K210-E317 WeakPolarHBondContact CE-OE2 3.38Å; K210-E317 HydrophobicContact CG-CB 4.02Å; K210-E317 PolarHBondContact N-O 3.25Å; K210-E317 IonicContact NZ-OE1 3.41Å; K210-E317 PolarHBondContact NZ-OE1 3.3Å; K210-E317 IonicContact NZ-OE2 3.25Å; K210-E317 PolarHBondContact NZ-OE2 3.03Å; K210-E317 PolarHBondContact O-N 2.92Å; K212-E317 WeakPolarHBondContact CE-OE2 3.39Å; K212-E317 IonicContact NZ-OE2 3.49Å; K212-E317 PolarHBondContact NZ-OE2 3.38Å
318	L	91.7	Very high	77.4	Confident	1 Å²	1	59.6 Å²	59.6	1%	0.005	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	146.5	-175.6	-68	132.8	0	0	0	110	I206 V207 L208 F229 D298 V299 L301 L316 V320	I206-L318 HydrophobicContact CG2-CD2 3.59Å; V207-L318 CarbonylContact O-C 3.59Å; V207-L318 VanDerWaalsContact O-CA 3.29Å; V207-L318 WeakPolarHBondContact O-CA 3.13Å; L208-L318 HydrophobicContact CB-CD2 4.2Å; L208-L318 HydrophobicContact CD1-CD2 3.85Å; L208-L318 HydrophobicContact CD1-CG 4.27Å; F229-L318 HydrophobicContact CE1-CD2 4.17Å; F229-L318 HydrophobicContact CZ-CD2 3.67Å; D298-L318 CarbonylContact C-O 3.54Å; D298-L318 WeakPolarHBondContact CA-O 3.35Å; V299-L318 PolarHBondContact N-O 3.18Å; V299-L318 PolarHBondContact O-N 2.85Å; L301-L318 HydrophobicContact CB-CD1 4.48Å; L301-L318 HydrophobicContact CD1-CD1 3.53Å; L301-L318 HydrophobicContact CG-CD1 3.9Å; L316-L318 HydrophobicContact CB-CD1 4.14Å; L318-V320 HydrophobicContact CB-CG2 4.19Å
319	T	90.5	Very high	76.4	Confident	23 Å²	23	58.4 Å²	58.4	14%	0.141	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	130.7	160.2	-50.9	0	0	0	0	108.5	I206 V207 K209 L297 D298	I206-T319 CarbonylContact C-O 3.45Å; I206-T319 WeakPolarHBondContact CA-O 3.11Å; V207-T319 PolarHBondContact N-O 3.12Å; V207-T319 PolarHBondContact O-N 3.11Å; K209-T319 WeakPolarHBondContact CE-OG1 3.36Å; K209-T319 PolarHBondContact NZ-OG1 3.1Å; K209-T319 VanDerWaalsContact NZ-OG1 3.16Å; L297-T319 CarbonylContact O-C 3.58Å; L297-T319 WeakPolarHBondContact O-CA 3.49Å; D298-T319 WeakPolarHBondContact OD1-CB 3.12Å; D298-T319 WeakPolarHBondContact OD1-CG2 3.36Å; D298-T319 PolarHBondContact OD1-OG1 2.95Å
320	V	89.1	Confident	75.3	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	126.9	-175.9	-173	0	0	0	0	109.9	L204 D205 I206 L286 L291 L297 V299 L318	L204-V320 HydrophobicContact CD1-CG1 3.44Å; L204-V320 VanDerWaalsContact CD1-CG1 3.44Å; D205-V320 CarbonylContact O-C 3.53Å; D205-V320 WeakPolarHBondContact O-CA 3.03Å; I206-V320 HydrophobicContact CG1-CG1 4.23Å; I206-V320 HydrophobicContact CG1-CG2 4.44Å; I206-V320 HydrophobicContact CG2-CG2 4.43Å; L286-V320 HydrophobicContact CD2-CG1 4.34Å; L286-V320 HydrophobicContact CD2-CG2 3.88Å; L291-V320 HydrophobicContact CD1-CG1 3.66Å; L291-V320 HydrophobicContact CD2-CB 4.43Å; L291-V320 HydrophobicContact CD2-CG1 4.19Å; L297-V320 PolarHBondContact N-O 2.93Å; L297-V320 PolarHBondContact O-N 2.87Å; V299-V320 HydrophobicContact CG2-CG2 4.28Å; L318-V320 HydrophobicContact CB-CG2 4.19Å
321	T	87.1	Confident	74.4	Confident	36 Å²	36	58.7 Å²	58.7	22%	0.221	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	113.9	179	-49	0	0	0	0	109.2	D205 S296	D205-T321 PolarHBondContact N-O 3.02Å; D205-T321 PolarHBondContact O-N 3.5Å; S296-T321 WeakPolarHBondContact CA-OG1 3.44Å; S296-T321 VanDerWaalsContact CB-OG1 3.31Å; S296-T321 WeakPolarHBondContact CB-OG1 3.5Å
322	L	85.9	Confident	72.7	Confident	1 Å²	1	54.6 Å²	54.6	1%	0.005	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	128.1	174.8	-176.6	65.5	0	0	0	109.5	Y202 L204 L261 L291 Q294	Y202-L322 HydrophobicContact CD1-CD1 4.37Å; Y202-L322 HydrophobicContact CG-CD1 4.42Å; L204-L322 HydrophobicContact CB-CD1 4.29Å; L204-L322 HydrophobicContact CD1-CD1 4.17Å; L261-L322 HydrophobicContact CD1-CD2 4Å; L261-L322 HydrophobicContact CD2-CD1 3.88Å; L261-L322 HydrophobicContact CD2-CD2 3.93Å; L291-L322 HydrophobicContact CB-CB 4.05Å; L291-L322 HydrophobicContact CB-CD2 4.08Å; L291-L322 HydrophobicContact CD1-CB 4.3Å; Q294-L322 WeakPolarHBondContact CA-O 3.24Å; Q294-L322 PolarHBondContact N-O 2.96Å
323	S	81.8	Confident	71.2	Confident	29 Å²	29	53.4 Å²	53.4	20%	0.203	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	126.9	179.5	52.7	0	0	0	0	111.1	Y202 Q203	Y202-S323 WeakPolarHBondContact CA-O 3.1Å; Q203-S323 PolarHBondContact N-O 3.15Å; Q203-S323 PolarHBondContact O-N 2.9Å; Q203-S323 PolarHBondContact O-OG 3.03Å
324	P	77.8	Confident	69.1	Low	41 Å²	41	60 Å²	60	27%	0.266	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	140.4	173	30.7	-32.8	0	0	0	109.3	P199 Y202 Q294	P199-P324 HydrophobicContact CB-CB 3.92Å; P199-P324 HydrophobicContact CG-CB 3.81Å; Y202-P324 HydrophobicContact CD1-CB 4.28Å; Y202-P324 HydrophobicContact CE1-CB 4.26Å; Q294-P324 HydrophobicContact CG-CG 4.46Å
325	K	70.1	Confident	67	Low	73 Å²	73	64.7 Å²	64.7	32%	0.317	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	100	-179	-171.5	-179.6	178.8	-177.8	0	110.5	M201 L257	M201-K325 WeakPolarHBondContact O-CB 3.15Å; M201-K325 PolarHBondContact O-N 3.19Å; L257-K325 HydrophobicContact CD1-CD 4.2Å
326	E	55.8	Low	64.7	Low	179 Å²	179	67.2 Å²	67.2	84%	0.836	36%	0.359	S	S	*	.			trans	-95.7	131.9	-177.6	-164.1	159.4	-146.5	0	0	111.1
327	G	50.6	Low	62.3	Low	59 Å²	59	76.9 Å²	76.9	61%	0.608	40%	0.396	S	S	*	.	S	Bend	trans	158.5	154.4	-179.9	0	0	0	0	0	113.9	I329	G327-I329 PolarHBondContact O-N 3.13Å
328	D	45.8	Very low	59.7	Low	79 Å²	79	84.7 Å²	84.7	42%	0.422	42%	0.424	S	S	.	.			trans	-61.9	132.2	179.8	-172.5	-36.7	0	0	0	110.9	R330 D331 A332	D328-R330 PolarHBondContact O-N 3.41Å; D328-R330 VanDerWaalsContact O-N 3.09Å; D328-R330 IonicContact OD1-CZ 3.8Å; D328-R330 PolarHBondContact OD1-N 3.35Å; D328-R330 IonicContact OD1-NE 3.95Å; D328-R330 PolarHBondContact OD1-NE 3.05Å; D328-R330 IonicContact OD1-NH2 4Å; D328-R330 IonicContact OD2-CZ 3.7Å; D328-R330 IonicContact OD2-NE 3.2Å; D328-R330 IonicContact OD2-NH2 2.67Å; D328-R330 PolarHBondContact OD2-NH2 3.2Å; D328-D331 PolarHBondContact O-N 3.07Å; D328-A332 WeakPolarHBondContact O-CB 3.35Å; D328-A332 PolarHBondContact O-N 3.36Å; D328-A332 VanDerWaalsContact O-N 3.15Å
329	I	50.1	Low	56.8	Low	128 Å²	128	90.2 Å²	90.2	66%	0.656	45%	0.453	S	S	*	.	H	α-helix	trans	-53.3	-31.3	-175.5	-61.5	165.2	0	0	0	111.9	G327 T333	G327-I329 PolarHBondContact O-N 3.13Å; I329-T333 WeakPolarHBondContact O-CB 3.33Å; I329-T333 PolarHBondContact O-N 3.35Å; I329-T333 PolarHBondContact O-OG1 3.5Å
330	R	44.8	Very low	54.2	Low	179 Å²	179	97.2 Å²	97.2	68%	0.675	48%	0.477	S	S	*	.	H	α-helix	trans	-79.4	-49	-176.1	-69	167.6	-69.2	-170.9	3.7	113.1	D328 T333 M334	D328-R330 PolarHBondContact O-N 3.41Å; D328-R330 VanDerWaalsContact O-N 3.09Å; D328-R330 IonicContact OD1-CZ 3.8Å; D328-R330 PolarHBondContact OD1-N 3.35Å; D328-R330 IonicContact OD1-NE 3.95Å; D328-R330 PolarHBondContact OD1-NE 3.05Å; D328-R330 IonicContact OD1-NH2 4Å; D328-R330 IonicContact OD2-CZ 3.7Å; D328-R330 IonicContact OD2-NE 3.2Å; D328-R330 IonicContact OD2-NH2 2.67Å; D328-R330 PolarHBondContact OD2-NH2 3.2Å; R330-T333 WeakPolarHBondContact O-CB 3.48Å; R330-T333 PolarHBondContact O-N 3.45Å; R330-M334 PolarHBondContact O-N 3.45Å; R330-M334 VanDerWaalsContact O-N 3.15Å
331	D	41.8	Very low	51.7	Low	107 Å²	107	106.2 Å²	106.2	57%	0.572	52%	0.516	S	S	*	.	H	α-helix	trans	-73	-35.3	-178.5	-77	-12.1	0	0	0	112.2	D328 T333 M334 L335	D328-D331 PolarHBondContact O-N 3.07Å; D331-T333 PolarHBondContact O-N 2.87Å; D331-M334 PolarHBondContact O-N 2.99Å; D331-L335 WeakPolarHBondContact O-CB 3.38Å; D331-L335 WeakPolarHBondContact O-CG 3.3Å; D331-L335 PolarHBondContact O-N 2.86Å
332	A	39.4	Very low	49	Very low	33 Å²	33	115.9 Å²	115.9	27%	0.273	55%	0.549	S	S	.	.	H	α-helix	trans	-55.3	-41.5	170.2	0	0	0	0	0	111.3	D328 L336	D328-A332 WeakPolarHBondContact O-CB 3.35Å; D328-A332 PolarHBondContact O-N 3.36Å; D328-A332 VanDerWaalsContact O-N 3.15Å; A332-L336 VanDerWaalsContact O-CB 3.31Å; A332-L336 WeakPolarHBondContact O-CB 3.41Å; A332-L336 WeakPolarHBondContact O-CD1 3.39Å; A332-L336 WeakPolarHBondContact O-CG 3.29Å; A332-L336 PolarHBondContact O-N 2.9Å
333	T	44.8	Very low	46.4	Very low	93 Å²	93	121.4 Å²	121.4	57%	0.571	59%	0.588	S	S	*	*	H	α-helix	trans	-69.4	-38.5	179.9	-59.8	0	0	0	0	112.6	I329 R330 D331	I329-T333 WeakPolarHBondContact O-CB 3.33Å; I329-T333 PolarHBondContact O-N 3.35Å; I329-T333 PolarHBondContact O-OG1 3.5Å; R330-T333 WeakPolarHBondContact O-CB 3.48Å; R330-T333 PolarHBondContact O-N 3.45Å; D331-T333 PolarHBondContact O-N 2.87Å
334	M	41.7	Very low	44.1	Very low	145 Å²	145	124.4 Å²	124.4	71%	0.714	61%	0.609	S	S	*	*	H	α-helix	trans	-70.5	-44.5	174.2	-70.3	-141.4	-169.8	0	0	112.8	R330 D331 L336 R337	R330-M334 PolarHBondContact O-N 3.45Å; R330-M334 VanDerWaalsContact O-N 3.15Å; D331-M334 PolarHBondContact O-N 2.99Å; M334-L336 VanDerWaalsContact C-N 3.33Å; M334-L336 PolarHBondContact O-N 2.62Å; M334-R337 WeakPolarHBondContact O-CB 3.37Å; M334-R337 PolarHBondContact O-N 2.91Å; M334-R337 VanDerWaalsContact O-N 3.11Å
335	L	41.9	Very low	42	Very low	100 Å²	100	131.6 Å²	131.6	52%	0.524	64%	0.636	S	S	.	*	H	α-helix	trans	-70	-30	-177.4	-67	174.1	0	0	0	112.5	D331 R337 R338 N339	D331-L335 WeakPolarHBondContact O-CB 3.38Å; D331-L335 WeakPolarHBondContact O-CG 3.3Å; D331-L335 PolarHBondContact O-N 2.86Å; L335-R337 PolarHBondContact O-N 2.87Å; L335-R338 PolarHBondContact O-N 2.94Å; L335-N339 PolarHBondContact O-N 3.26Å
336	L	43.6	Very low	40	Very low	73 Å²	73	138.3 Å²	138.3	38%	0.382	66%	0.661	S	S	.	*	H	α-helix	trans	-53.3	-38.7	167.9	-86.9	166.3	0	0	0	112.3	A332 M334 R338 W340	A332-L336 VanDerWaalsContact O-CB 3.31Å; A332-L336 WeakPolarHBondContact O-CB 3.41Å; A332-L336 WeakPolarHBondContact O-CD1 3.39Å; A332-L336 WeakPolarHBondContact O-CG 3.29Å; A332-L336 PolarHBondContact O-N 2.9Å; M334-L336 VanDerWaalsContact C-N 3.33Å; M334-L336 PolarHBondContact O-N 2.62Å; L336-R338 VanDerWaalsContact C-N 3.3Å; L336-R338 PolarHBondContact O-N 2.82Å; L336-W340 HydrophobicContact CD2-CE3 4.41Å; L336-W340 HydrophobicContact CD2-CZ3 4.35Å
337	R	41.8	Very low	39	Very low	204 Å²	204	135.9 Å²	135.9	77%	0.77	65%	0.649	S	S	*	*	H	α-helix	trans	-71.7	-21.5	179	-161.1	178.6	-174.6	-164.5	1.7	113.3	M334 L335	M334-R337 WeakPolarHBondContact O-CB 3.37Å; M334-R337 PolarHBondContact O-N 2.91Å; M334-R337 VanDerWaalsContact O-N 3.11Å; L335-R337 PolarHBondContact O-N 2.87Å
338	R	37.8	Very low	38.1	Very low	195 Å²	195	136 Å²	136	74%	0.736	64%	0.64	S	S	*	*	H	α-helix	trans	-100.7	-44	-172.6	-172.7	165.8	169.9	148.2	-6.6	113.6	L335 L336	L335-R338 PolarHBondContact O-N 2.94Å; L336-R338 VanDerWaalsContact C-N 3.3Å; L336-R338 PolarHBondContact O-N 2.82Å
339	N	30.8	Very low	37.4	Very low	117 Å²	117	138.4 Å²	138.4	63%	0.626	65%	0.651	S	S	*	*	H	α-helix	trans	-77.8	-23.9	-176.6	-77.9	0.4	0	0	0	113.7	L335 K341 R342	L335-N339 PolarHBondContact O-N 3.26Å; N339-K341 PolarHBondContact O-N 3.24Å; N339-K341 VanDerWaalsContact O-N 3.11Å; N339-R342 PolarHBondContact O-N 2.51Å
340	W	35.2	Very low	36.8	Very low	171 Å²	171	135.6 Å²	135.6	65%	0.648	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.2	-27.2	175.2	-151.3	-63.5	0	0	0	112.9	L336 R342	L336-W340 HydrophobicContact CD2-CE3 4.41Å; L336-W340 HydrophobicContact CD2-CZ3 4.35Å; W340-R342 VanDerWaalsContact C-N 3.33Å; W340-R342 PolarHBondContact O-N 2.71Å
341	K	36.4	Very low	36.5	Very low	188 Å²	188	130.5 Å²	130.5	82%	0.817	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.2	-2.9	-179.3	-74.8	-167.1	173.2	-170.9	0	115.4	N339	N339-K341 PolarHBondContact O-N 3.24Å; N339-K341 VanDerWaalsContact O-N 3.11Å
342	R	32.1	Very low	36.3	Very low	239 Å²	239	127.9 Å²	127.9	90%	0.902	61%	0.608	S	S	*	*	S	Bend	trans	-121.5	-5.6	-173.1	-88.3	-171.4	174.5	-176.7	-1.3	117.7	N339 W340	N339-R342 PolarHBondContact O-N 2.51Å; W340-R342 VanDerWaalsContact C-N 3.33Å; W340-R342 PolarHBondContact O-N 2.71Å
343	S	29.5	Very low	36.4	Very low	118 Å²	118	129.9 Å²	129.9	83%	0.825	61%	0.614	S	S	*	*	S	Bend	trans	-142.5	63.8	-180	-172.7	0	0	0	0	113
344	S	33.8	Very low	36.1	Very low	92 Å²	92	128 Å²	128	64%	0.643	60%	0.603	S	S	*	*			trans	-140.9	59.3	175.2	70.5	0	0	0	0	113
345	K	34.2	Very low	35.7	Very low	192 Å²	192	128.4 Å²	128.4	84%	0.835	60%	0.602	S	S	*	*			trans	-88.8	141.6	146.3	-74	-173.9	174.5	-176.2	0	106.9
346	Y	27.9	Very low	35.5	Very low	213 Å²	213	132.5 Å²	132.5	84%	0.835	61%	0.611	S	S	*	*	S	Bend	trans	72.8	78.6	-175.8	-53.9	-79.6	0	0	0	116.7
347	Q	34.8	Very low	35.2	Very low	129 Å²	129	135.8 Å²	135.8	60%	0.603	62%	0.622	S	S	*	*				59.3	98.2	118.2	-165.1	173.3	52.4	0	0	120.6	K240	K240-Q347 VanDerWaalsContact CE-CD 3.41Å
348	S	31.8	Very low	35.1	Very low	60 Å²	60	127.9 Å²	127.9	42%	0.42	60%	0.6	S	S	.	*				-167.7	151.1	115.6	53.5	0	0	0	0	109.6
349	M	30.8	Very low	35.4	Very low	130 Å²	130	120.8 Å²	120.8	64%	0.64	58%	0.576	S	S	*	*			trans	-116.6	134.2	-179.7	-65.9	-153.5	-63.5	0	0	111.5
350	R	39.1	Very low	36.1	Very low	69 Å²	69	119 Å²	119	26%	0.26	57%	0.566	S	S	.	*			trans	-81	143	173.3	-66.2	-172.2	164.8	121	5.7	111.5	V236 I255 S352 D353 V354	V236-R350 PolarHBondContact O-NE 2.85Å; V236-R350 VanDerWaalsContact O-NE 3.12Å; I255-R350 PolarHBondContact O-NH2 2.89Å; R350-S352 PolarHBondContact O-N 2.81Å; R350-D353 WeakPolarHBondContact CB-OD2 3.48Å; R350-D353 WeakPolarHBondContact O-CA 3.41Å; R350-D353 WeakPolarHBondContact O-CB 3.48Å; R350-D353 PolarHBondContact O-N 2.9Å; R350-V354 PolarHBondContact O-N 2.79Å
351	L	37.3	Very low	36.9	Very low	72 Å²	72	111.3 Å²	111.3	38%	0.377	54%	0.536	S	S	.	.	H	α-helix	trans	-60.8	-23.8	172.8	-78.4	158.9	0	0	0	113.6	E235 H355	E235-L351 HydrophobicContact CG-CD1 4.36Å; E235-L351 WeakPolarHBondContact OE1-CD1 3.44Å; L351-H355 PolarHBondContact O-N 3.4Å; L351-H355 PolarHBondContact O-ND1 3.01Å
352	S	38.5	Very low	37.8	Very low	53 Å²	53	107.3 Å²	107.3	37%	0.371	52%	0.516	S	S	.	.	H	α-helix	trans	-73.1	-29.3	170.4	55.3	0	0	0	0	113.4	R350	R350-S352 PolarHBondContact O-N 2.81Å
353	D	41.6	Very low	39.3	Very low	74 Å²	74	96 Å²	96	40%	0.396	47%	0.473	S	S	.	.	H	α-helix	trans	-78.8	-33	173.6	-63.2	-43.2	0	0	0	110.8	R350 H355 R356 K357	R350-D353 WeakPolarHBondContact CB-OD2 3.48Å; R350-D353 WeakPolarHBondContact O-CA 3.41Å; R350-D353 WeakPolarHBondContact O-CB 3.48Å; R350-D353 PolarHBondContact O-N 2.9Å; D353-H355 PolarHBondContact O-N 2.7Å; D353-R356 CarbonylContact O-C 3.55Å; D353-R356 PolarHBondContact O-N 2.69Å; D353-R356 VanDerWaalsContact O-N 3.15Å; D353-K357 WeakPolarHBondContact O-CB 3.37Å; D353-K357 PolarHBondContact O-N 2.78Å
354	V	36.8	Very low	41.2	Very low	55 Å²	55	91.4 Å²	91.4	33%	0.333	44%	0.439	S	S	.	.	H	α-helix	trans	-54.7	-53.8	173.7	174	0	0	0	0	110.8	R350 R356 K357 A358	R350-V354 PolarHBondContact O-N 2.79Å; V354-R356 PolarHBondContact O-N 2.55Å; V354-K357 PolarHBondContact O-N 2.75Å; V354-A358 WeakPolarHBondContact O-CB 3.06Å; V354-A358 PolarHBondContact O-N 3.08Å
355	H	34.1	Very low	43.3	Very low	153 Å²	153	87 Å²	87	71%	0.708	41%	0.409	S	S	*	.	H	α-helix	trans	-64.5	-23.7	179.8	-68.7	90.6	0	0	0	113.8	L351 D353	L351-H355 PolarHBondContact O-N 3.4Å; L351-H355 PolarHBondContact O-ND1 3.01Å; D353-H355 PolarHBondContact O-N 2.7Å
356	R	37.4	Very low	45.4	Very low	186 Å²	186	78.5 Å²	78.5	70%	0.702	37%	0.374	S	S	*	.	H	α-helix	trans	-93.2	-20.8	178.8	-164.5	173.6	176.4	-173.6	0.4	113.7	D353 V354	D353-R356 CarbonylContact O-C 3.55Å; D353-R356 PolarHBondContact O-N 2.69Å; D353-R356 VanDerWaalsContact O-N 3.15Å; V354-R356 PolarHBondContact O-N 2.55Å
357	K	38.4	Very low	48.1	Very low	141 Å²	141	68.4 Å²	68.4	61%	0.613	33%	0.334	S	S	*	.	H	α-helix	trans	-99.4	-5	174	-84.9	-171.2	170.3	-176.7	0	114.5	D353 V354 Q359 L360	D353-K357 WeakPolarHBondContact O-CB 3.37Å; D353-K357 PolarHBondContact O-N 2.78Å; V354-K357 PolarHBondContact O-N 2.75Å; K357-Q359 PolarHBondContact O-N 2.98Å; K357-L360 PolarHBondContact O-N 2.85Å; K357-L360 VanDerWaalsContact O-N 3.1Å
358	A	39.2	Very low	50.3	Low	38 Å²	38	63.3 Å²	63.3	31%	0.314	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	7.9	-177.2	0	0	0	0	0	116.4	V354 Y419	V354-A358 WeakPolarHBondContact O-CB 3.06Å; V354-A358 PolarHBondContact O-N 3.08Å; A358-Y419 PolarHBondContact O-OH 2.84Å; A358-Y419 VanDerWaalsContact O-OH 3.12Å
359	Q	44.5	Very low	53	Low	47 Å²	47	60.5 Å²	60.5	22%	0.22	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.8	-11.1	177.3	-60.5	-167.7	-52.2	0	0	114.3	K357 W361 I485 K568	K357-Q359 PolarHBondContact O-N 2.98Å; Q359-W361 VanDerWaalsContact O-CD1 3.24Å; Q359-W361 PolarHBondContact O-N 3.15Å; Q359-I485 WeakPolarHBondContact O-CB 3.44Å; Q359-K568 VanDerWaalsContact OE1-CE 3.25Å
360	L	45.3	Very low	55.6	Low	79 Å²	79	56.5 Å²	56.5	41%	0.414	27%	0.274	S	S	.	.			trans	-79.8	68.9	172.3	-90.6	78	0	0	0	111.2	K357 Y419 I485	K357-L360 PolarHBondContact O-N 2.85Å; K357-L360 VanDerWaalsContact O-N 3.1Å; L360-Y419 WeakPolarHBondContact O-CD1 3.06Å; L360-I485 WeakPolarHBondContact CA-O 3.46Å; L360-I485 WeakPolarHBondContact CD1-O 3.5Å; L360-I485 VanDerWaalsContact CG-O 3.26Å; L360-I485 WeakPolarHBondContact CG-O 3.41Å
361	W	51.5	Low	57.8	Low	9 Å²	9	54.7 Å²	54.7	3%	0.034	27%	0.268	C	S	.	.			trans	-85.6	155	164.1	48.7	-87.4	0	0	0	111.7	Q359 I364 H417 L418 Y419 I485 L553	Q359-W361 VanDerWaalsContact O-CD1 3.24Å; Q359-W361 PolarHBondContact O-N 3.15Å; W361-I364 HydrophobicContact CE3-CG1 4.44Å; W361-I364 HydrophobicContact CH2-CD1 4.08Å; W361-I364 HydrophobicContact CH2-CG1 3.82Å; W361-I364 HydrophobicContact CZ3-CD1 4.13Å; W361-I364 HydrophobicContact CZ3-CG1 3.43Å; W361-I364 VanDerWaalsContact CZ3-CG1 3.43Å; W361-H417 HydrophobicContact CB-CB 3.94Å; W361-H417 HydrophobicContact CD2-CB 4.01Å; W361-H417 AromaticContact CD2-CD2 3.65Å; W361-H417 AromaticContact CE2-CD2 3.19Å; W361-H417 AromaticContact CE2-CG 3.88Å; W361-H417 AromaticContact CE2-NE2 3.96Å; W361-H417 HydrophobicContact CG-CB 3.75Å; W361-H417 AromaticContact CH2-CD2 3.49Å; W361-H417 VanDerWaalsContact CH2-CD2 3.49Å; W361-H417 WeakPolarHBondContact CH2-CD2 3.49Å; W361-H417 AromaticContact CH2-NE2 3.98Å; W361-H417 AromaticContact CZ2-CD2 3.12Å; W361-H417 WeakPolarHBondContact CZ2-CD2 3.43Å; W361-H417 AromaticContact CZ2-NE2 3.53Å; W361-H417 AromaticContact CZ3-CD2 3.99Å; W361-H417 AromaticContact NE1-CD2 3.64Å; W361-H417 AromaticContact NE1-CG 3.93Å; W361-L418 CarbonylContact C-O 3.59Å; W361-L418 WeakPolarHBondContact CA-O 3.25Å; W361-L418 WeakPolarHBondContact CB-O 2.99Å; W361-Y419 HydrophobicContact CB-CD1 3.88Å; W361-Y419 HydrophobicContact CB-CE1 3.76Å; W361-Y419 HydrophobicContact CB-CG 4.34Å; W361-Y419 AromaticContact CD1-CE1 3.97Å; W361-Y419 HydrophobicContact CG-CE1 4.3Å; W361-I485 HydrophobicContact CZ2-CD1 3.85Å; W361-L553 HydrophobicContact CE3-CD2 4.44Å; W361-L553 HydrophobicContact CH2-CD2 3.09Å; W361-L553 HydrophobicContact CH2-CG 4.36Å; W361-L553 HydrophobicContact CZ2-CB 4.48Å; W361-L553 HydrophobicContact CZ2-CD2 3.7Å; W361-L553 HydrophobicContact CZ3-CD2 3.48Å; W361-L553 VanDerWaalsContact CZ3-CD2 3.48Å
362	R	55.4	Low	60.3	Low	105 Å²	105	51.3 Å²	51.3	40%	0.396	25%	0.251	S	S	.	.			trans	-115.4	11.3	-171.9	-67.2	172	165.3	-118.9	21.9	113	L418 E421	R362-L418 PolarHBondContact N-O 2.76Å; R362-E421 IonicContact CZ-OE1 3.54Å; R362-E421 VanDerWaalsContact NH1-CG 3.3Å; R362-E421 IonicContact NH1-OE1 2.64Å; R362-E421 PolarHBondContact NH1-OE1 3Å; R362-E421 VanDerWaalsContact NH2-CD 3.34Å; R362-E421 IonicContact NH2-OE1 2.94Å; R362-E421 PolarHBondContact NH2-OE1 3.15Å
363	G	63.2	Low	62.7	Low	0 Å²	0	54 Å²	54	0%	0	25%	0.253	C	S	.	.			trans	154.9	174.7	177.5	0	0	0	0	0	113.8	L418 T478	G363-L418 PolarHBondContact O-N 2.96Å; G363-T478 CarbonylContact C-O 3.56Å; G363-T478 WeakPolarHBondContact CA-O 3.35Å
364	I	69.5	Low	64.8	Low	22 Å²	22	56.3 Å²	56.3	11%	0.113	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	139.3	178.3	-50	179.7	0	0	0	109.2	W361 D415 F416 T478	W361-I364 HydrophobicContact CE3-CG1 4.44Å; W361-I364 HydrophobicContact CH2-CD1 4.08Å; W361-I364 HydrophobicContact CH2-CG1 3.82Å; W361-I364 HydrophobicContact CZ3-CD1 4.13Å; W361-I364 HydrophobicContact CZ3-CG1 3.43Å; W361-I364 VanDerWaalsContact CZ3-CG1 3.43Å; I364-D415 HydrophobicContact CG2-CB 3.76Å; I364-F416 CarbonylContact C-O 3.58Å; I364-F416 WeakPolarHBondContact CA-O 3.33Å; I364-T478 PolarHBondContact N-O 2.83Å; I364-T478 CarbonylContact O-C 3.25Å; I364-T478 WeakPolarHBondContact O-CA 3.2Å; I364-T478 WeakPolarHBondContact O-CB 3.36Å; I364-T478 PolarHBondContact O-N 2.87Å
365	V	78	Confident	67.2	Low	0 Å²	0	53.9 Å²	53.9	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	107.4	164.2	179.6	0	0	0	0	106.2	V367 M392 F416 L418 L449 V475 L477	V365-V367 HydrophobicContact CG1-CG2 4.08Å; V365-M392 HydrophobicContact CB-SD 4.44Å; V365-M392 HydrophobicContact CG2-CE 4.41Å; V365-M392 HydrophobicContact CG2-SD 4.2Å; V365-F416 HydrophobicContact CB-CB 4.36Å; V365-F416 PolarHBondContact N-O 3.16Å; V365-F416 WeakPolarHBondContact O-CD2 3.42Å; V365-F416 PolarHBondContact O-N 3.26Å; V365-L418 HydrophobicContact CG2-CB 4.06Å; V365-L418 HydrophobicContact CG2-CD2 4.34Å; V365-L449 HydrophobicContact CB-CD1 4.44Å; V365-L449 HydrophobicContact CG1-CD1 4.09Å; V365-L449 HydrophobicContact CG1-CD2 3.68Å; V365-L449 HydrophobicContact CG2-CD1 3.68Å; V365-L449 HydrophobicContact CG2-CD2 4.49Å; V365-V475 HydrophobicContact CG1-CG1 4.1Å; V365-L477 HydrophobicContact CG1-CD1 4.41Å; V365-L477 HydrophobicContact CG2-CG 4.48Å
366	S	78.5	Confident	69.6	Low	14 Å²	14	49.9 Å²	49.9	10%	0.098	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	128.6	176.9	-169.8	0	0	0	0	110	Q413 D415 V475 T476	S366-Q413 VanDerWaalsContact OG-CD 3.22Å; S366-Q413 WeakPolarHBondContact OG-CG 3.45Å; S366-Q413 PolarHBondContact OG-NE2 3.3Å; S366-Q413 VanDerWaalsContact OG-NE2 3.13Å; S366-D415 WeakPolarHBondContact CA-OD1 3.47Å; S366-D415 WeakPolarHBondContact CB-OD1 3.36Å; S366-D415 PolarHBondContact OG-OD1 3.1Å; S366-V475 CarbonylContact O-C 3.54Å; S366-V475 WeakPolarHBondContact O-CA 3.4Å; S366-T476 PolarHBondContact N-O 3.09Å; S366-T476 PolarHBondContact O-N 3.37Å
367	V	85.1	Confident	71.9	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	103	-176.9	-178	0	0	0	0	109	V365 F390 Q413 F414 F416 L473 L474 V475	V365-V367 HydrophobicContact CG1-CG2 4.08Å; V367-F390 HydrophobicContact CG1-CD1 4.37Å; V367-F390 HydrophobicContact CG1-CE1 3.85Å; V367-Q413 WeakPolarHBondContact O-CA 3.31Å; V367-F414 PolarHBondContact N-O 2.84Å; V367-F414 PolarHBondContact O-N 3.08Å; V367-F416 HydrophobicContact CB-CE2 3.97Å; V367-F416 HydrophobicContact CG2-CD2 3.94Å; V367-F416 HydrophobicContact CG2-CE2 3.67Å; V367-L473 HydrophobicContact CG1-CD2 3.51Å; V367-L474 CarbonylContact C-O 3.59Å; V367-L474 WeakPolarHBondContact CA-O 3.46Å; V367-V475 HydrophobicContact CG1-CG2 4.26Å; V367-V475 HydrophobicContact CG2-CG1 4.43Å; V367-V475 HydrophobicContact CG2-CG2 4.29Å
368	S	80.8	Confident	73.9	Confident	23 Å²	23	40 Å²	40	16%	0.161	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	107.6	172.2	-37.7	0	0	0	0	109.8	I370 E412 L473 L474	S368-I370 PolarHBondContact O-N 2.73Å; S368-E412 CarbonylContact C-O 3.55Å; S368-E412 WeakPolarHBondContact CA-O 3.41Å; S368-L473 WeakPolarHBondContact O-CA 3.38Å; S368-L474 PolarHBondContact N-O 3.05Å; S368-L474 PolarHBondContact O-N 3.33Å
369	L	87.1	Confident	75.9	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	106.6	171.4	176.6	62.1	0	0	0	109.6	V388 F390 W410 R411 E412 F414 L471 L473	L369-V388 HydrophobicContact CD1-CG2 4.12Å; L369-V388 HydrophobicContact CD2-CB 3.92Å; L369-V388 HydrophobicContact CD2-CG2 3.69Å; L369-F390 HydrophobicContact CB-CZ 4.01Å; L369-F390 HydrophobicContact CD1-CZ 4.2Å; L369-F390 HydrophobicContact CD2-CE2 4.08Å; L369-F390 HydrophobicContact CD2-CZ 3.97Å; L369-F390 HydrophobicContact CG-CZ 4.27Å; L369-W410 HydrophobicContact CD1-CE3 3.72Å; L369-W410 HydrophobicContact CD1-CZ3 3.94Å; L369-W410 HydrophobicContact CD2-CB 3.84Å; L369-W410 HydrophobicContact CD2-CD2 3.56Å; L369-W410 HydrophobicContact CD2-CE3 3.64Å; L369-W410 HydrophobicContact CD2-CG 3.66Å; L369-W410 HydrophobicContact CD2-CZ3 4.31Å; L369-W410 HydrophobicContact CG-CB 4Å; L369-W410 HydrophobicContact CG-CD2 3.98Å; L369-W410 HydrophobicContact CG-CE3 3.59Å; L369-W410 HydrophobicContact CG-CG 4.17Å; L369-W410 HydrophobicContact CG-CZ3 4.3Å; L369-R411 CarbonylContact O-C 3.59Å; L369-R411 WeakPolarHBondContact O-CA 3.14Å; L369-R411 PolarHBondContact O-N 3.37Å; L369-E412 PolarHBondContact N-O 2.91Å; L369-E412 PolarHBondContact O-N 3.36Å; L369-E412 VanDerWaalsContact O-N 3.07Å; L369-F414 HydrophobicContact CB-CE2 3.98Å; L369-F414 HydrophobicContact CD2-CE2 4.2Å; L369-L471 HydrophobicContact CD1-CD1 3.78Å; L369-L471 HydrophobicContact CD1-CD2 4.22Å; L369-L471 HydrophobicContact CD1-CG 3.99Å; L369-L473 HydrophobicContact CB-CD2 4.26Å; L369-L473 HydrophobicContact CD1-CD2 3.97Å; L369-L473 HydrophobicContact CD1-CG 4.44Å
370	I	86.1	Confident	77.2	Confident	46 Å²	46	43.2 Å²	43.2	24%	0.236	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	-64.9	-175.2	-50.6	-54.3	0	0	0	110.4	S368 Q409 W410 R411 V472 L474	S368-I370 PolarHBondContact O-N 2.73Å; I370-Q409 WeakPolarHBondContact O-CA 3.19Å; I370-W410 PolarHBondContact O-N 3.49Å; I370-W410 VanDerWaalsContact O-N 3.1Å; I370-R411 PolarHBondContact O-N 3.43Å; I370-V472 HydrophobicContact CB-CG1 4.25Å; I370-V472 WeakPolarHBondContact CB-O 3.49Å; I370-V472 PolarHBondContact N-O 2.9Å; I370-L474 HydrophobicContact CD1-CD1 4.04Å; I370-L474 HydrophobicContact CD1-CG 4.05Å; I370-L474 HydrophobicContact CG1-CD1 4.44Å; I370-L474 HydrophobicContact CG1-CG 4Å
371	E	85.9	Confident	78.6	Confident	31 Å²	31	45.1 Å²	45.1	15%	0.145	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	154.1	-173.1	62.5	-179	-169.1	0	0	112.9	R373 P408 Q409 V472	E371-R373 IonicContact OE1-CZ 2.71Å; E371-R373 IonicContact OE1-NE 3.82Å; E371-R373 PolarHBondContact OE1-NE 3.42Å; E371-R373 IonicContact OE1-NH2 3.63Å; E371-R373 PolarHBondContact OE1-NH2 3.06Å; E371-P408 CarbonylContact C-O 3.59Å; E371-P408 WeakPolarHBondContact CA-O 3.43Å; E371-P408 WeakPolarHBondContact CB-O 3.45Å; E371-Q409 HydrophobicContact CB-CB 4.46Å; E371-Q409 HydrophobicContact CB-CG 3.86Å; E371-Q409 PolarHBondContact OE2-NE2 2.9Å; E371-V472 HydrophobicContact CG-CB 3.77Å; E371-V472 HydrophobicContact CG-CG1 4.38Å; E371-V472 HydrophobicContact CG-CG2 3.92Å; E371-V472 PolarHBondContact N-O 3.42Å; E371-V472 PolarHBondContact O-N 3.23Å
372	G	89.6	Confident	79.9	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.01	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	147	163.4	0	0	0	0	0	109.5	N407 P408 V470	G372-N407 CarbonylContact O-C 3.55Å; G372-N407 VanDerWaalsContact O-CA 3.27Å; G372-N407 WeakPolarHBondContact O-CA 3.41Å; G372-P408 PolarHBondContact N-O 3.09Å; G372-V470 CarbonylContact C-O 3.5Å
373	R	88.8	Confident	81.2	Confident	110 Å²	110	46.7 Å²	46.7	42%	0.415	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	133.7	-179	-63.8	179.6	177	-176.2	-1	110.4	E371 L375 N407 G469 V470 V472	E371-R373 IonicContact OE1-CZ 2.71Å; E371-R373 IonicContact OE1-NE 3.82Å; E371-R373 PolarHBondContact OE1-NE 3.42Å; E371-R373 IonicContact OE1-NH2 3.63Å; E371-R373 PolarHBondContact OE1-NH2 3.06Å; R373-L375 VanDerWaalsContact C-N 3.29Å; R373-L375 PolarHBondContact O-N 3.45Å; R373-N407 WeakPolarHBondContact CA-OD1 3.43Å; R373-G469 WeakPolarHBondContact O-CA 3.12Å; R373-V470 PolarHBondContact N-O 3.28Å; R373-V470 PolarHBondContact O-N 2.72Å; R373-V472 HydrophobicContact CG-CG2 4.47Å
374	N	85.6	Confident	82.3	Confident	122 Å²	122	46.7 Å²	46.7	65%	0.652	26%	0.264	S	S	*	.	S	Bend	trans	47.9	46.8	177.8	-59	-17.3	0	0	0	113.4	L406 N407 G469	N374-L406 PolarHBondContact N-O 3.3Å; N374-N407 PolarHBondContact N-OD1 3.11Å; N374-G469 VanDerWaalsContact O-CA 3.29Å; N374-G469 WeakPolarHBondContact O-CA 3.35Å
375	L	87.6	Confident	83.2	Confident	5 Å²	5	47.2 Å²	47.2	3%	0.026	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-65.9	145	173.8	-60.1	-178.2	0	0	0	110.5	R373 P386 L406 P408 W410 V430 M442 L464 E468	R373-L375 VanDerWaalsContact C-N 3.29Å; R373-L375 PolarHBondContact O-N 3.45Å; L375-P386 HydrophobicContact CD1-CB 3.66Å; L375-P386 HydrophobicContact CD1-CG 3.96Å; L375-L406 PolarHBondContact N-O 3.01Å; L375-L406 WeakPolarHBondContact O-CB 3.25Å; L375-L406 WeakPolarHBondContact O-CD2 3.38Å; L375-P408 HydrophobicContact CD1-CG 3.6Å; L375-W410 HydrophobicContact CD1-CH2 4.48Å; L375-V430 HydrophobicContact CD1-CG1 4.28Å; L375-M442 HydrophobicContact CB-CE 4.06Å; L375-M442 HydrophobicContact CD1-CE 4.49Å; L375-L464 HydrophobicContact CD2-CD1 3.99Å; L375-E468 WeakPolarHBondContact CA-O 3.36Å
376	Q	84.2	Confident	83.7	Confident	69 Å²	69	47.2 Å²	47.2	32%	0.322	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-62	131.9	175.4	-174.1	176.8	-32.7	0	0	111.9	M378 S384 M442 E468	Q376-M378 HydrophobicContact CB-CE 4.12Å; Q376-M378 HydrophobicContact CG-CE 3.94Å; Q376-M378 HydrophobicContact CG-SD 4.1Å; Q376-M378 PolarHBondContact NE2-SD 2.73Å; Q376-S384 PolarHBondContact O-OG 2.72Å; Q376-M442 WeakPolarHBondContact O-CE 3.47Å; Q376-E468 HydrophobicContact CB-CB 4.25Å; Q376-E468 PolarHBondContact N-O 2.76Å
377	P	84.8	Confident	84.4	Confident	61 Å²	61	46.8 Å²	46.8	40%	0.396	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-74.5	129.1	172.4	28.6	-31.7	0	0	0	111.4	L406	P377-L406 HydrophobicContact CB-CD1 4.03Å; P377-L406 HydrophobicContact CB-CD2 3.86Å; P377-L406 HydrophobicContact CG-CD1 4.21Å
378	M	81.3	Confident	84.7	Confident	59 Å²	59	46.8 Å²	46.8	29%	0.291	26%	0.264	S	S	.	.			trans	-110.7	-26.2	173.7	-51.4	-60.9	-170.6	0	0	113.2	Q376 F383 S384 D432 M442	Q376-M378 HydrophobicContact CB-CE 4.12Å; Q376-M378 HydrophobicContact CG-CE 3.94Å; Q376-M378 HydrophobicContact CG-SD 4.1Å; Q376-M378 PolarHBondContact NE2-SD 2.73Å; M378-F383 PolarHBondContact N-O 2.9Å; M378-S384 PolarHBondContact N-OG 3.15Å; M378-S384 VanDerWaalsContact N-OG 3.08Å; M378-D432 WeakPolarHBondContact CB-OD2 3.46Å; M378-M442 HydrophobicContact CE-CB 4.35Å; M378-M442 HydrophobicContact CE-CG 4.27Å; M378-M442 HydrophobicContact CG-CG 4.39Å
379	D	81.6	Confident	85.3	Confident	38 Å²	38	48.6 Å²	48.6	20%	0.203	27%	0.269	C	S	.	.	S	Bend	trans	-65.8	145.7	177.1	-80.4	-45.4	0	0	0	111.8	N381 G382 F383	D379-N381 HydrophobicContact CB-CB 4.1Å; D379-N381 PolarHBondContact O-N 3.43Å; D379-G382 PolarHBondContact O-N 3.21Å; D379-F383 VanDerWaalsContact CB-O 3.31Å; D379-F383 WeakPolarHBondContact CB-O 2.9Å; D379-F383 PolarHBondContact N-O 3.49Å
380	A	72.1	Confident	85.4	Confident	114 Å²	114	48.8 Å²	48.8	94%	0.942	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-6.9	163.8	0	0	0	0	0	113.7
381	N	73.6	Confident	85.3	Confident	118 Å²	118	49.4 Å²	49.4	63%	0.631	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-4.1	172.3	-72.1	113	0	0	0	114.4	D379 F383	D379-N381 HydrophobicContact CB-CB 4.1Å; D379-N381 PolarHBondContact O-N 3.43Å; N381-F383 VanDerWaalsContact C-N 3.32Å; N381-F383 WeakPolarHBondContact O-CD2 3.41Å
382	G	78.4	Confident	85	Confident	44 Å²	44	48.4 Å²	48.4	45%	0.454	26%	0.264	S	S	.	.	S	Bend	trans	76.1	18.7	-177.8	0	0	0	0	0	114.3	D379	D379-G382 PolarHBondContact O-N 3.21Å
383	F	82.8	Confident	84.3	Confident	103 Å²	103	51.4 Å²	51.4	45%	0.452	30%	0.295	S	S	.	.			trans	-130.2	-165.7	174.7	-69.3	-82.5	0	0	0	108.7	M378 D379 N381 K404	M378-F383 PolarHBondContact N-O 2.9Å; D379-F383 VanDerWaalsContact CB-O 3.31Å; D379-F383 WeakPolarHBondContact CB-O 2.9Å; D379-F383 PolarHBondContact N-O 3.49Å; N381-F383 VanDerWaalsContact C-N 3.32Å; N381-F383 WeakPolarHBondContact O-CD2 3.41Å; F383-K404 HydrophobicContact CB-CB 4.36Å
384	S	86.2	Confident	83.2	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	30%	0.301	C	S	.	.			trans	-151.1	161.4	171.8	-81.5	0	0	0	0	109	Q376 M378 P386 K404 T405 D432 M442	Q376-S384 PolarHBondContact O-OG 2.72Å; M378-S384 PolarHBondContact N-OG 3.15Å; M378-S384 VanDerWaalsContact N-OG 3.08Å; S384-P386 WeakPolarHBondContact O-CD 3.43Å; S384-K404 CarbonylContact O-C 3.59Å; S384-K404 WeakPolarHBondContact O-CA 3.31Å; S384-K404 PolarHBondContact O-N 2.94Å; S384-T405 PolarHBondContact O-N 3.27Å; S384-D432 WeakPolarHBondContact CA-OD2 3.26Å; S384-D432 WeakPolarHBondContact CB-OD2 3.12Å; S384-D432 PolarHBondContact OG-OD2 3.03Å; S384-M442 WeakPolarHBondContact OG-CE 3.42Å
385	D	88.5	Confident	82.4	Confident	34 Å²	34	46.7 Å²	46.7	18%	0.182	27%	0.274	C	S	.	.			trans	-105.7	64	168.3	-85.1	25.7	0	0	0	109.6	T401 I402 P403 K404 D432 R433	D385-T401 HydrophobicContact CB-CG2 3.88Å; D385-T401 VanDerWaalsContact O-CG2 3.26Å; D385-T401 WeakPolarHBondContact O-CG2 3.46Å; D385-I402 CarbonylContact C-O 3.6Å; D385-I402 WeakPolarHBondContact CA-O 3.2Å; D385-P403 VanDerWaalsContact CG-CA 3.43Å; D385-P403 WeakPolarHBondContact OD1-CA 3.31Å; D385-P403 WeakPolarHBondContact OD1-CB 3.24Å; D385-P403 WeakPolarHBondContact OD2-CB 3.21Å; D385-K404 PolarHBondContact OD1-N 2.81Å; D385-D432 WeakPolarHBondContact CA-OD1 3.47Å; D385-D432 PolarHBondContact N-OD1 2.79Å; D385-R433 HydrophobicContact CB-CB 4.21Å; D385-R433 PolarHBondContact O-N 2.84Å
386	P	90.2	Very high	82.1	Confident	0 Å²	0	54 Å²	54	0%	0	31%	0.305	C	S	.	.			trans	-68.1	146.5	-169	28.8	-39.3	0	0	0	114.4	L375 S384 I402 T405 P408 W410 W431 M442	L375-P386 HydrophobicContact CD1-CB 3.66Å; L375-P386 HydrophobicContact CD1-CG 3.96Å; S384-P386 WeakPolarHBondContact O-CD 3.43Å; P386-I402 VanDerWaalsContact CD-O 3.27Å; P386-I402 WeakPolarHBondContact CD-O 3.27Å; P386-I402 PolarHBondContact O-N 2.83Å; P386-I402 VanDerWaalsContact O-N 3.16Å; P386-T405 VanDerWaalsContact CD-O 3.32Å; P386-T405 WeakPolarHBondContact CD-O 3.32Å; P386-T405 HydrophobicContact CG-CG2 4.21Å; P386-T405 WeakPolarHBondContact CG-O 3.44Å; P386-P408 HydrophobicContact CB-CG 4.29Å; P386-P408 HydrophobicContact CG-CB 3.87Å; P386-P408 HydrophobicContact CG-CG 3.65Å; P386-W410 HydrophobicContact CB-CZ2 4.2Å; P386-W410 HydrophobicContact CG-CZ2 4.49Å; P386-W431 CarbonylContact C-O 3.53Å; P386-W431 WeakPolarHBondContact CA-O 3.37Å; P386-M442 HydrophobicContact CB-CE 4.4Å; P386-M442 HydrophobicContact CB-SD 3.92Å
387	Y	92.1	Very high	81.9	Confident	5 Å²	5	55 Å²	55	2%	0.02	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	159.7	168.1	77	-91.3	0	0	0	111.8	K389 K398 W431 D432 R433 D439	Y387-K389 HydrophobicContact CD2-CG 4.27Å; Y387-K389 HydrophobicContact CE2-CD 4.11Å; Y387-K389 HydrophobicContact CE2-CG 3.63Å; Y387-K389 VanDerWaalsContact CZ-CE 3.43Å; Y387-K389 WeakPolarHBondContact OH-CE 3.41Å; Y387-K389 PolarHBondContact OH-NZ 2.89Å; Y387-K398 HydrophobicContact CD2-CD 3.79Å; Y387-K398 HydrophobicContact CD2-CG 3.86Å; Y387-K398 HydrophobicContact CE2-CD 3.52Å; Y387-K398 HydrophobicContact CE2-CG 4.03Å; Y387-K398 PolarHBondContact OH-NZ 3.44Å; Y387-W431 HydrophobicContact CD1-CB 4.05Å; Y387-W431 VanDerWaalsContact CD1-O 3.31Å; Y387-W431 WeakPolarHBondContact CD1-O 3.33Å; Y387-W431 HydrophobicContact CD2-CB 4.45Å; Y387-W431 HydrophobicContact CE1-CB 3.55Å; Y387-W431 HydrophobicContact CE2-CB 3.99Å; Y387-W431 HydrophobicContact CE2-CG 4.39Å; Y387-W431 HydrophobicContact CG-CB 4.5Å; Y387-W431 PolarHBondContact N-O 2.81Å; Y387-W431 PolarHBondContact O-N 3.12Å; Y387-D432 WeakPolarHBondContact CE1-O 3.15Å; Y387-R433 HydrophobicContact CD1-CB 4.21Å; Y387-R433 HydrophobicContact CE1-CB 4.23Å; Y387-D439 VanDerWaalsContact CE1-OD2 3.24Å; Y387-D439 WeakPolarHBondContact CE1-OD2 3.33Å; Y387-D439 VanDerWaalsContact CZ-OD2 3.26Å; Y387-D439 PolarHBondContact OH-OD2 2.79Å
388	V	92.4	Very high	81.9	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	136.6	-175.7	-171	0	0	0	0	110.8	L369 F390 K398 S399 W410 I428 T429 V430 L471	L369-V388 HydrophobicContact CD1-CG2 4.12Å; L369-V388 HydrophobicContact CD2-CB 3.92Å; L369-V388 HydrophobicContact CD2-CG2 3.69Å; V388-F390 HydrophobicContact CB-CE2 3.85Å; V388-F390 HydrophobicContact CB-CZ 4.17Å; V388-F390 HydrophobicContact CG1-CD2 4.04Å; V388-F390 HydrophobicContact CG1-CE1 4.13Å; V388-F390 HydrophobicContact CG1-CE2 3.53Å; V388-F390 HydrophobicContact CG1-CZ 3.56Å; V388-K398 WeakPolarHBondContact O-CA 3.32Å; V388-S399 PolarHBondContact N-OG 3.32Å; V388-S399 PolarHBondContact O-N 2.83Å; V388-W410 HydrophobicContact CG2-CH2 3.59Å; V388-W410 HydrophobicContact CG2-CZ2 3.76Å; V388-W410 HydrophobicContact CG2-CZ3 4.01Å; V388-I428 HydrophobicContact CG1-CG2 3.4Å; V388-I428 VanDerWaalsContact CG1-CG2 3.4Å; V388-T429 WeakPolarHBondContact CA-O 3.34Å; V388-V430 HydrophobicContact CG2-CG2 4.41Å; V388-L471 HydrophobicContact CG1-CD2 4.3Å; V388-L471 HydrophobicContact CG2-CD1 4.3Å; V388-L471 HydrophobicContact CG2-CD2 4.41Å
389	K	91.5	Very high	82.1	Confident	61 Å²	61	53.7 Å²	53.7	27%	0.265	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	128.1	167	-54.1	173.3	-163.1	159.7	0	108.8	Y387 Y397 T429 W431	Y387-K389 HydrophobicContact CD2-CG 4.27Å; Y387-K389 HydrophobicContact CE2-CD 4.11Å; Y387-K389 HydrophobicContact CE2-CG 3.63Å; Y387-K389 VanDerWaalsContact CZ-CE 3.43Å; Y387-K389 WeakPolarHBondContact OH-CE 3.41Å; Y387-K389 PolarHBondContact OH-NZ 2.89Å; K389-Y397 WeakPolarHBondContact CA-O 3.05Å; K389-T429 PolarHBondContact N-O 3.29Å; K389-T429 PolarHBondContact O-N 2.89Å; K389-T429 PolarHBondContact O-OG1 2.92Å; K389-W431 HydrophobicContact CD-CD2 4.47Å; K389-W431 HydrophobicContact CD-CG 4.23Å
390	F	90.2	Very high	82	Confident	4 Å²	4	58.7 Å²	58.7	2%	0.018	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	148	175.5	-58.2	-98.6	0	0	0	110.5	V367 L369 V388 K396 Y397 F414 F416 V426 D427 I428 L473	V367-F390 HydrophobicContact CG1-CD1 4.37Å; V367-F390 HydrophobicContact CG1-CE1 3.85Å; L369-F390 HydrophobicContact CB-CZ 4.01Å; L369-F390 HydrophobicContact CD1-CZ 4.2Å; L369-F390 HydrophobicContact CD2-CE2 4.08Å; L369-F390 HydrophobicContact CD2-CZ 3.97Å; L369-F390 HydrophobicContact CG-CZ 4.27Å; V388-F390 HydrophobicContact CB-CE2 3.85Å; V388-F390 HydrophobicContact CB-CZ 4.17Å; V388-F390 HydrophobicContact CG1-CD2 4.04Å; V388-F390 HydrophobicContact CG1-CE1 4.13Å; V388-F390 HydrophobicContact CG1-CE2 3.53Å; V388-F390 HydrophobicContact CG1-CZ 3.56Å; F390-K396 VanDerWaalsContact O-CA 3.31Å; F390-K396 WeakPolarHBondContact O-CA 3.27Å; F390-Y397 PolarHBondContact N-O 2.83Å; F390-Y397 PolarHBondContact O-N 2.83Å; F390-F414 AromaticContact CD2-CD2 3.99Å; F390-F414 HydrophobicContact CD2-CD2 3.99Å; F390-F414 HydrophobicContact CD2-CE2 4.17Å; F390-F414 HydrophobicContact CD2-CG 4.37Å; F390-F414 AromaticContact CE2-CD2 3.56Å; F390-F414 HydrophobicContact CE2-CD2 3.56Å; F390-F414 AromaticContact CE2-CE2 3.45Å; F390-F414 HydrophobicContact CE2-CE2 3.45Å; F390-F414 VanDerWaalsContact CE2-CE2 3.45Å; F390-F414 HydrophobicContact CE2-CG 4.36Å; F390-F414 HydrophobicContact CE2-CZ 4.18Å; F390-F414 AromaticContact CZ-CD2 3.97Å; F390-F414 HydrophobicContact CZ-CD2 3.97Å; F390-F414 HydrophobicContact CZ-CE2 4.03Å; F390-F416 HydrophobicContact CB-CE1 3.9Å; F390-F416 HydrophobicContact CB-CZ 3.47Å; F390-F416 VanDerWaalsContact CB-CZ 3.47Å; F390-F416 HydrophobicContact CD1-CZ 4.3Å; F390-F416 HydrophobicContact CG-CZ 4.02Å; F390-V426 HydrophobicContact CD1-CG1 4.43Å; F390-D427 CarbonylContact C-O 3.41Å; F390-D427 WeakPolarHBondContact CA-O 3.38Å; F390-I428 HydrophobicContact CD1-CB 4.49Å; F390-I428 HydrophobicContact CD1-CD1 3.98Å; F390-I428 HydrophobicContact CD1-CG1 3.79Å; F390-I428 HydrophobicContact CD1-CG2 4.14Å; F390-I428 HydrophobicContact CE1-CD1 3.84Å; F390-I428 HydrophobicContact CE1-CG1 4.09Å; F390-I428 HydrophobicContact CE1-CG2 3.98Å; F390-L473 HydrophobicContact CE1-CD2 3.83Å; F390-L473 HydrophobicContact CZ-CD2 4.14Å
391	R	84.1	Confident	82.7	Confident	59 Å²	59	54.9 Å²	54.9	22%	0.223	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	137.5	169.6	167.5	-175.6	61.9	-128.6	4.5	111	F274 G393 Q395 K396 V426 D427	F274-R391 VanDerWaalsContact CZ-NH2 3.34Å; R391-G393 WeakPolarHBondContact CG-O 3.35Å; R391-Q395 VanDerWaalsContact CA-O 3.25Å; R391-Q395 WeakPolarHBondContact CA-O 2.96Å; R391-K396 HydrophobicContact CB-CG 4.45Å; R391-K396 HydrophobicContact CG-CG 4.49Å; R391-V426 WeakPolarHBondContact O-CA 3.45Å; R391-D427 HydrophobicContact CB-CB 4.2Å; R391-D427 IonicContact CZ-OD2 3.9Å; R391-D427 PolarHBondContact N-O 2.76Å; R391-D427 IonicContact NE-OD2 3.76Å; R391-D427 PolarHBondContact NE-OD2 2.74Å; R391-D427 IonicContact NH2-OD1 3.77Å; R391-D427 PolarHBondContact NH2-OD1 2.91Å; R391-D427 IonicContact NH2-OD2 2.75Å; R391-D427 PolarHBondContact NH2-OD2 2.6Å; R391-D427 PolarHBondContact O-N 2.93Å
392	M	80.2	Confident	83.1	Confident	10 Å²	10	51.2 Å²	51.2	5%	0.049	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	101.5	166.8	-161.4	179.9	84.6	0	0	109.3	V365 H394 Q395 F416 H417 L418 V426 L449	V365-M392 HydrophobicContact CB-SD 4.44Å; V365-M392 HydrophobicContact CG2-CE 4.41Å; V365-M392 HydrophobicContact CG2-SD 4.2Å; M392-H394 PolarHBondContact O-N 3.17Å; M392-Q395 PolarHBondContact N-O 3.1Å; M392-Q395 PolarHBondContact O-N 3.5Å; M392-Q395 VanDerWaalsContact O-N 3.1Å; M392-F416 HydrophobicContact CB-CB 4.29Å; M392-F416 HydrophobicContact CB-CD1 3.55Å; M392-F416 HydrophobicContact CB-CE1 4.2Å; M392-F416 HydrophobicContact CB-CG 4.17Å; M392-F416 HydrophobicContact CE-CB 3.57Å; M392-F416 HydrophobicContact SD-CB 3.83Å; M392-F416 HydrophobicContact SD-CG 4.38Å; M392-H417 WeakPolarHBondContact CE-O 3.2Å; M392-L418 HydrophobicContact CE-CB 4.29Å; M392-L418 HydrophobicContact CE-CD1 4.29Å; M392-V426 HydrophobicContact CB-CG2 4.39Å; M392-V426 HydrophobicContact CG-CG2 4.07Å; M392-V426 HydrophobicContact SD-CG2 3.87Å; M392-L449 HydrophobicContact SD-CD1 3.52Å; M392-L449 VanDerWaalsContact SD-CD1 3.52Å
393	G	74.8	Confident	83.4	Confident	63 Å²	63	53 Å²	53	65%	0.649	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	60	-115.8	-170.6	0	0	0	0	0	112	R391	R391-G393 WeakPolarHBondContact CG-O 3.35Å
394	H	65.1	Low	83.4	Confident	117 Å²	117	54.6 Å²	54.6	54%	0.542	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-17.7	178	62.7	-96.9	0	0	0	113.9	M392 Y419	M392-H394 PolarHBondContact O-N 3.17Å; H394-Y419 AromaticContact CE1-CE2 3.49Å; H394-Y419 VanDerWaalsContact CE1-CE2 3.49Å; H394-Y419 WeakPolarHBondContact CE1-CE2 3.47Å; H394-Y419 AromaticContact CE1-CZ 3.82Å
395	Q	69.6	Low	83.4	Confident	17 Å²	17	56 Å²	56	8%	0.079	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	140.1	-177.6	-63.8	165.2	101.6	0	0	110.5	R391 M392 F416 H417	R391-Q395 VanDerWaalsContact CA-O 3.25Å; R391-Q395 WeakPolarHBondContact CA-O 2.96Å; M392-Q395 PolarHBondContact N-O 3.1Å; M392-Q395 PolarHBondContact O-N 3.5Å; M392-Q395 VanDerWaalsContact O-N 3.1Å; Q395-F416 HydrophobicContact CB-CD1 4.34Å; Q395-H417 PolarHBondContact NE2-O 2.72Å; Q395-H417 VanDerWaalsContact OE1-CB 3.31Å; Q395-H417 PolarHBondContact OE1-ND1 3.25Å
396	K	80.8	Confident	83.2	Confident	157 Å²	157	56.3 Å²	56.3	68%	0.683	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.7	132.2	-178.8	-59.8	176.6	-173.7	174.8	0	109.6	F390 R391	F390-K396 VanDerWaalsContact O-CA 3.31Å; F390-K396 WeakPolarHBondContact O-CA 3.27Å; R391-K396 HydrophobicContact CB-CG 4.45Å; R391-K396 HydrophobicContact CG-CG 4.49Å
397	Y	79.1	Confident	82.9	Confident	91 Å²	91	60.2 Å²	60.2	36%	0.357	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	155.7	173.8	-67.8	-78.9	0	0	0	110.6	K389 F390 F414 D415 F416	K389-Y397 WeakPolarHBondContact CA-O 3.05Å; F390-Y397 PolarHBondContact N-O 2.83Å; F390-Y397 PolarHBondContact O-N 2.83Å; Y397-F414 HydrophobicContact CD1-CD1 4.38Å; Y397-F414 HydrophobicContact CD2-CB 4.46Å; Y397-F414 HydrophobicContact CG-CB 4.42Å; Y397-F414 HydrophobicContact CG-CD1 4.14Å; Y397-D415 PolarHBondContact OH-O 3.25Å; Y397-F416 AromaticContact CD2-CD1 3.94Å; Y397-F416 HydrophobicContact CD2-CD1 3.94Å; Y397-F416 AromaticContact CD2-CE1 3.53Å; Y397-F416 HydrophobicContact CD2-CE1 3.53Å; Y397-F416 HydrophobicContact CD2-CE2 4.46Å; Y397-F416 AromaticContact CD2-CZ 3.79Å; Y397-F416 HydrophobicContact CD2-CZ 3.79Å; Y397-F416 HydrophobicContact CE2-CD1 4.03Å; Y397-F416 HydrophobicContact CE2-CE1 4.11Å; Y397-F416 HydrophobicContact CE2-CG 4.45Å
398	K	84.4	Confident	82.6	Confident	88 Å²	88	60 Å²	60	38%	0.383	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	132.7	177.1	165.1	167.2	175.6	158.7	0	109	Y387 V388	Y387-K398 HydrophobicContact CD2-CD 3.79Å; Y387-K398 HydrophobicContact CD2-CG 3.86Å; Y387-K398 HydrophobicContact CE2-CD 3.52Å; Y387-K398 HydrophobicContact CE2-CG 4.03Å; Y387-K398 PolarHBondContact OH-NZ 3.44Å; V388-K398 WeakPolarHBondContact O-CA 3.32Å
399	S	86.1	Confident	82.1	Confident	5 Å²	5	64.4 Å²	64.4	4%	0.035	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-74.6	168.9	173	76.8	0	0	0	0	112.1	V388 W410 E412	V388-S399 PolarHBondContact N-OG 3.32Å; V388-S399 PolarHBondContact O-N 2.83Å; S399-W410 PolarHBondContact OG-NE1 3.4Å; S399-E412 WeakPolarHBondContact CA-OE2 3.19Å; S399-E412 WeakPolarHBondContact CB-OE2 3.38Å
400	K	80.6	Confident	81.7	Confident	143 Å²	143	62.2 Å²	62.2	62%	0.622	31%	0.31	S	S	*	.	P	Polyproline II helix	trans	-62.2	153.6	164.1	-58.9	168.9	-153.3	143.2	0	110.4	W410 E412	K400-W410 VanDerWaalsContact O-CD1 3.23Å; K400-W410 PolarHBondContact O-NE1 3.01Å; K400-E412 VanDerWaalsContact CB-OE1 3.22Å; K400-E412 WeakPolarHBondContact CB-OE1 3.46Å; K400-E412 WeakPolarHBondContact CD-OE1 3.42Å; K400-E412 WeakPolarHBondContact CE-OE1 3.4Å; K400-E412 WeakPolarHBondContact CG-OE1 3.47Å; K400-E412 PolarHBondContact N-OE2 2.92Å; K400-E412 IonicContact NZ-OE1 3.13Å; K400-E412 PolarHBondContact NZ-OE1 2.89Å
401	T	87.1	Confident	81.2	Confident	34 Å²	34	70.6 Å²	70.6	21%	0.209	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-82.2	129.6	167.4	-57	0	0	0	0	108.6	D385 R433	D385-T401 HydrophobicContact CB-CG2 3.88Å; D385-T401 VanDerWaalsContact O-CG2 3.26Å; D385-T401 WeakPolarHBondContact O-CG2 3.46Å; T401-R433 HydrophobicContact CG2-CB 3.84Å; T401-R433 HydrophobicContact CG2-CG 4.28Å
402	I	80.7	Confident	80.3	Confident	41 Å²	41	69 Å²	69	21%	0.21	34%	0.336	C	S	.	.			trans	-108.1	115.3	173	-60.5	-179.6	0	0	0	107.8	D385 P386 T405 P408 Q409 W410	D385-I402 CarbonylContact C-O 3.6Å; D385-I402 WeakPolarHBondContact CA-O 3.2Å; P386-I402 VanDerWaalsContact CD-O 3.27Å; P386-I402 WeakPolarHBondContact CD-O 3.27Å; P386-I402 PolarHBondContact O-N 2.83Å; P386-I402 VanDerWaalsContact O-N 3.16Å; I402-T405 HydrophobicContact CB-CG2 4.24Å; I402-T405 HydrophobicContact CG2-CG2 3.63Å; I402-P408 HydrophobicContact CB-CB 4.23Å; I402-P408 HydrophobicContact CD1-CB 3.98Å; I402-Q409 VanDerWaalsContact CD1-O 3.23Å; I402-Q409 WeakPolarHBondContact CD1-O 3.36Å; I402-W410 HydrophobicContact CD1-CB 4.34Å; I402-W410 VanDerWaalsContact CD1-CD1 3.48Å; I402-W410 HydrophobicContact CD1-CD2 4.16Å; I402-W410 HydrophobicContact CD1-CG 3.75Å; I402-W410 HydrophobicContact CG1-CG 4.47Å
403	P	84	Confident	80.1	Confident	82 Å²	82	73.2 Å²	73.2	53%	0.532	36%	0.356	S	S	.	.			trans	-76.4	146.9	-172.3	29.8	-35.2	0	0	0	113.4	D385	D385-P403 VanDerWaalsContact CG-CA 3.43Å; D385-P403 WeakPolarHBondContact OD1-CA 3.31Å; D385-P403 WeakPolarHBondContact OD1-CB 3.24Å; D385-P403 WeakPolarHBondContact OD2-CB 3.21Å
404	K	83.5	Confident	80.2	Confident	136 Å²	136	71.1 Å²	71.1	59%	0.591	33%	0.329	S	S	*	.	S	Bend	trans	54.1	52.7	166.9	-57.6	-178.5	-178.4	-177.4	0	114.4	F383 S384 D385	F383-K404 HydrophobicContact CB-CB 4.36Å; S384-K404 CarbonylContact O-C 3.59Å; S384-K404 WeakPolarHBondContact O-CA 3.31Å; S384-K404 PolarHBondContact O-N 2.94Å; D385-K404 PolarHBondContact OD1-N 2.81Å
405	T	85.6	Confident	80.6	Confident	30 Å²	30	68.4 Å²	68.4	18%	0.184	32%	0.318	C	S	.	.			trans	-148	141.1	177	-174.8	0	0	0	0	113.4	S384 P386 I402 N407 P408	S384-T405 PolarHBondContact O-N 3.27Å; P386-T405 VanDerWaalsContact CD-O 3.32Å; P386-T405 WeakPolarHBondContact CD-O 3.32Å; P386-T405 HydrophobicContact CG-CG2 4.21Å; P386-T405 WeakPolarHBondContact CG-O 3.44Å; I402-T405 HydrophobicContact CB-CG2 4.24Å; I402-T405 HydrophobicContact CG2-CG2 3.63Å; T405-N407 VanDerWaalsContact OG1-C 3.24Å; T405-N407 PolarHBondContact OG1-N 2.85Å; T405-N407 PolarHBondContact OG1-O 3Å; T405-P408 HydrophobicContact CG2-CB 3.79Å
406	L	85.2	Confident	80.8	Confident	39 Å²	39	67.6 Å²	67.6	20%	0.204	31%	0.314	C	S	.	.	S	Bend	trans	-96.9	-2.7	168.7	-53.8	-175.3	0	0	0	112.3	N374 L375 P377 P408	N374-L406 PolarHBondContact N-O 3.3Å; L375-L406 PolarHBondContact N-O 3.01Å; L375-L406 WeakPolarHBondContact O-CB 3.25Å; L375-L406 WeakPolarHBondContact O-CD2 3.38Å; P377-L406 HydrophobicContact CB-CD1 4.03Å; P377-L406 HydrophobicContact CB-CD2 3.86Å; P377-L406 HydrophobicContact CG-CD1 4.21Å; L406-P408 VanDerWaalsContact C-CD 3.47Å
407	N	84.9	Confident	80.3	Confident	83 Å²	83	61.9 Å²	61.9	44%	0.444	29%	0.29	S	S	.	.	S	Bend	trans	-132.1	66.4	176.4	-66.8	-83.5	0	0	0	109.9	G372 R373 N374 T405	G372-N407 CarbonylContact O-C 3.55Å; G372-N407 VanDerWaalsContact O-CA 3.27Å; G372-N407 WeakPolarHBondContact O-CA 3.41Å; R373-N407 WeakPolarHBondContact CA-OD1 3.43Å; N374-N407 PolarHBondContact N-OD1 3.11Å; T405-N407 VanDerWaalsContact OG1-C 3.24Å; T405-N407 PolarHBondContact OG1-N 2.85Å; T405-N407 PolarHBondContact OG1-O 3Å
408	P	84.7	Confident	79.9	Confident	1 Å²	1	58 Å²	58	1%	0.006	28%	0.276	C	S	.	.			trans	-66.8	143.4	-179.9	26.9	-35.8	0	0	0	112.7	E371 G372 L375 P386 I402 T405 L406 W410	E371-P408 CarbonylContact C-O 3.59Å; E371-P408 WeakPolarHBondContact CA-O 3.43Å; E371-P408 WeakPolarHBondContact CB-O 3.45Å; G372-P408 PolarHBondContact N-O 3.09Å; L375-P408 HydrophobicContact CD1-CG 3.6Å; P386-P408 HydrophobicContact CB-CG 4.29Å; P386-P408 HydrophobicContact CG-CB 3.87Å; P386-P408 HydrophobicContact CG-CG 3.65Å; I402-P408 HydrophobicContact CB-CB 4.23Å; I402-P408 HydrophobicContact CD1-CB 3.98Å; T405-P408 HydrophobicContact CG2-CB 3.79Å; L406-P408 VanDerWaalsContact C-CD 3.47Å; P408-W410 HydrophobicContact CB-CD2 4.25Å; P408-W410 HydrophobicContact CB-CE3 4.25Å; P408-W410 HydrophobicContact CB-CH2 3.8Å; P408-W410 HydrophobicContact CB-CZ2 3.72Å; P408-W410 HydrophobicContact CB-CZ3 4.05Å; P408-W410 HydrophobicContact CG-CE3 4.29Å; P408-W410 HydrophobicContact CG-CH2 3.22Å; P408-W410 HydrophobicContact CG-CZ2 3.61Å; P408-W410 HydrophobicContact CG-CZ3 3.6Å
409	Q	82.3	Confident	78.9	Confident	91 Å²	91	56.7 Å²	56.7	43%	0.425	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	100.7	169.4	-64.5	-159.7	-25.3	0	0	110.2	I370 E371 I402	I370-Q409 WeakPolarHBondContact O-CA 3.19Å; E371-Q409 HydrophobicContact CB-CB 4.46Å; E371-Q409 HydrophobicContact CB-CG 3.86Å; E371-Q409 PolarHBondContact OE2-NE2 2.9Å; I402-Q409 VanDerWaalsContact CD1-O 3.23Å; I402-Q409 WeakPolarHBondContact CD1-O 3.36Å
410	W	81.9	Confident	77.7	Confident	16 Å²	16	61.9 Å²	61.9	6%	0.061	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	-49.1	-179.3	-63.2	-85.1	0	0	0	112.4	L369 I370 L375 P386 V388 S399 K400 I402 P408 E412 L471	L369-W410 HydrophobicContact CD1-CE3 3.72Å; L369-W410 HydrophobicContact CD1-CZ3 3.94Å; L369-W410 HydrophobicContact CD2-CB 3.84Å; L369-W410 HydrophobicContact CD2-CD2 3.56Å; L369-W410 HydrophobicContact CD2-CE3 3.64Å; L369-W410 HydrophobicContact CD2-CG 3.66Å; L369-W410 HydrophobicContact CD2-CZ3 4.31Å; L369-W410 HydrophobicContact CG-CB 4Å; L369-W410 HydrophobicContact CG-CD2 3.98Å; L369-W410 HydrophobicContact CG-CE3 3.59Å; L369-W410 HydrophobicContact CG-CG 4.17Å; L369-W410 HydrophobicContact CG-CZ3 4.3Å; I370-W410 PolarHBondContact O-N 3.49Å; I370-W410 VanDerWaalsContact O-N 3.1Å; L375-W410 HydrophobicContact CD1-CH2 4.48Å; P386-W410 HydrophobicContact CB-CZ2 4.2Å; P386-W410 HydrophobicContact CG-CZ2 4.49Å; V388-W410 HydrophobicContact CG2-CH2 3.59Å; V388-W410 HydrophobicContact CG2-CZ2 3.76Å; V388-W410 HydrophobicContact CG2-CZ3 4.01Å; S399-W410 PolarHBondContact OG-NE1 3.4Å; K400-W410 VanDerWaalsContact O-CD1 3.23Å; K400-W410 PolarHBondContact O-NE1 3.01Å; I402-W410 HydrophobicContact CD1-CB 4.34Å; I402-W410 VanDerWaalsContact CD1-CD1 3.48Å; I402-W410 HydrophobicContact CD1-CD2 4.16Å; I402-W410 HydrophobicContact CD1-CG 3.75Å; I402-W410 HydrophobicContact CG1-CG 4.47Å; P408-W410 HydrophobicContact CB-CD2 4.25Å; P408-W410 HydrophobicContact CB-CE3 4.25Å; P408-W410 HydrophobicContact CB-CH2 3.8Å; P408-W410 HydrophobicContact CB-CZ2 3.72Å; P408-W410 HydrophobicContact CB-CZ3 4.05Å; P408-W410 HydrophobicContact CG-CE3 4.29Å; P408-W410 HydrophobicContact CG-CH2 3.22Å; P408-W410 HydrophobicContact CG-CZ2 3.61Å; P408-W410 HydrophobicContact CG-CZ3 3.6Å; W410-E412 HydrophobicContact CB-CB 4.38Å; W410-E412 HydrophobicContact CB-CG 4.27Å; W410-E412 PolarHBondContact O-N 2.75Å; W410-L471 HydrophobicContact CH2-CD1 4.14Å; W410-L471 HydrophobicContact CZ3-CD1 3.65Å
411	R	79.8	Confident	76.2	Confident	179 Å²	179	61.2 Å²	61.2	68%	0.675	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	52.3	42.1	-172.7	-48.7	-176.8	-172.1	-164.9	4.6	112.2	L369 I370	L369-R411 CarbonylContact O-C 3.59Å; L369-R411 WeakPolarHBondContact O-CA 3.14Å; L369-R411 PolarHBondContact O-N 3.37Å; I370-R411 PolarHBondContact O-N 3.43Å
412	E	66	Low	74.5	Confident	25 Å²	25	67.4 Å²	67.4	12%	0.117	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	146.6	-179.2	-75.5	169	-151.6	0	0	110.6	S368 L369 S399 K400 W410 F414	S368-E412 CarbonylContact C-O 3.55Å; S368-E412 WeakPolarHBondContact CA-O 3.41Å; L369-E412 PolarHBondContact N-O 2.91Å; L369-E412 PolarHBondContact O-N 3.36Å; L369-E412 VanDerWaalsContact O-N 3.07Å; S399-E412 WeakPolarHBondContact CA-OE2 3.19Å; S399-E412 WeakPolarHBondContact CB-OE2 3.38Å; K400-E412 VanDerWaalsContact CB-OE1 3.22Å; K400-E412 WeakPolarHBondContact CB-OE1 3.46Å; K400-E412 WeakPolarHBondContact CD-OE1 3.42Å; K400-E412 WeakPolarHBondContact CE-OE1 3.4Å; K400-E412 WeakPolarHBondContact CG-OE1 3.47Å; K400-E412 PolarHBondContact N-OE2 2.92Å; K400-E412 IonicContact NZ-OE1 3.13Å; K400-E412 PolarHBondContact NZ-OE1 2.89Å; W410-E412 HydrophobicContact CB-CB 4.38Å; W410-E412 HydrophobicContact CB-CG 4.27Å; W410-E412 PolarHBondContact O-N 2.75Å; E412-F414 HydrophobicContact CB-CE2 3.81Å; E412-F414 HydrophobicContact CB-CZ 3.67Å
413	Q	75.2	Confident	73.5	Confident	100 Å²	100	66.2 Å²	66.2	47%	0.467	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	137	177.6	-177.8	178	-51.4	0	0	110.9	S366 V367 D415	S366-Q413 VanDerWaalsContact OG-CD 3.22Å; S366-Q413 WeakPolarHBondContact OG-CG 3.45Å; S366-Q413 PolarHBondContact OG-NE2 3.3Å; S366-Q413 VanDerWaalsContact OG-NE2 3.13Å; V367-Q413 WeakPolarHBondContact O-CA 3.31Å; Q413-D415 PolarHBondContact NE2-OD1 2.93Å; Q413-D415 VanDerWaalsContact NE2-OD1 3.1Å; Q413-D415 PolarHBondContact NE2-OD2 3.39Å
414	F	77.6	Confident	73	Confident	19 Å²	19	63 Å²	63	8%	0.083	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	124.8	177.3	-51.4	-78.9	0	0	0	109.4	V367 L369 F390 Y397 E412 F416	V367-F414 PolarHBondContact N-O 2.84Å; V367-F414 PolarHBondContact O-N 3.08Å; L369-F414 HydrophobicContact CB-CE2 3.98Å; L369-F414 HydrophobicContact CD2-CE2 4.2Å; F390-F414 AromaticContact CD2-CD2 3.99Å; F390-F414 HydrophobicContact CD2-CD2 3.99Å; F390-F414 HydrophobicContact CD2-CE2 4.17Å; F390-F414 HydrophobicContact CD2-CG 4.37Å; F390-F414 AromaticContact CE2-CD2 3.56Å; F390-F414 HydrophobicContact CE2-CD2 3.56Å; F390-F414 AromaticContact CE2-CE2 3.45Å; F390-F414 HydrophobicContact CE2-CE2 3.45Å; F390-F414 VanDerWaalsContact CE2-CE2 3.45Å; F390-F414 HydrophobicContact CE2-CG 4.36Å; F390-F414 HydrophobicContact CE2-CZ 4.18Å; F390-F414 AromaticContact CZ-CD2 3.97Å; F390-F414 HydrophobicContact CZ-CD2 3.97Å; F390-F414 HydrophobicContact CZ-CE2 4.03Å; Y397-F414 HydrophobicContact CD1-CD1 4.38Å; Y397-F414 HydrophobicContact CD2-CB 4.46Å; Y397-F414 HydrophobicContact CG-CB 4.42Å; Y397-F414 HydrophobicContact CG-CD1 4.14Å; E412-F414 HydrophobicContact CB-CE2 3.81Å; E412-F414 HydrophobicContact CB-CZ 3.67Å; F414-F416 HydrophobicContact CB-CE2 3.7Å; F414-F416 HydrophobicContact CB-CZ 4.04Å; F414-F416 WeakPolarHBondContact O-CE2 3.41Å
415	D	73.6	Confident	73.1	Confident	59 Å²	59	63.6 Å²	63.6	32%	0.316	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	124.6	-176	-64.2	-33.2	0	0	0	109.9	I364 S366 Y397 Q413	I364-D415 HydrophobicContact CG2-CB 3.76Å; S366-D415 WeakPolarHBondContact CA-OD1 3.47Å; S366-D415 WeakPolarHBondContact CB-OD1 3.36Å; S366-D415 PolarHBondContact OG-OD1 3.1Å; Y397-D415 PolarHBondContact OH-O 3.25Å; Q413-D415 PolarHBondContact NE2-OD1 2.93Å; Q413-D415 VanDerWaalsContact NE2-OD1 3.1Å; Q413-D415 PolarHBondContact NE2-OD2 3.39Å
416	F	74.8	Confident	73.3	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	136.6	-176	-53.8	-107.9	0	0	0	111.4	I364 V365 V367 F390 M392 Q395 Y397 F414	I364-F416 CarbonylContact C-O 3.58Å; I364-F416 WeakPolarHBondContact CA-O 3.33Å; V365-F416 HydrophobicContact CB-CB 4.36Å; V365-F416 PolarHBondContact N-O 3.16Å; V365-F416 WeakPolarHBondContact O-CD2 3.42Å; V365-F416 PolarHBondContact O-N 3.26Å; V367-F416 HydrophobicContact CB-CE2 3.97Å; V367-F416 HydrophobicContact CG2-CD2 3.94Å; V367-F416 HydrophobicContact CG2-CE2 3.67Å; F390-F416 HydrophobicContact CB-CE1 3.9Å; F390-F416 HydrophobicContact CB-CZ 3.47Å; F390-F416 VanDerWaalsContact CB-CZ 3.47Å; F390-F416 HydrophobicContact CD1-CZ 4.3Å; F390-F416 HydrophobicContact CG-CZ 4.02Å; M392-F416 HydrophobicContact CB-CB 4.29Å; M392-F416 HydrophobicContact CB-CD1 3.55Å; M392-F416 HydrophobicContact CB-CE1 4.2Å; M392-F416 HydrophobicContact CB-CG 4.17Å; M392-F416 HydrophobicContact CE-CB 3.57Å; M392-F416 HydrophobicContact SD-CB 3.83Å; M392-F416 HydrophobicContact SD-CG 4.38Å; Q395-F416 HydrophobicContact CB-CD1 4.34Å; Y397-F416 AromaticContact CD2-CD1 3.94Å; Y397-F416 HydrophobicContact CD2-CD1 3.94Å; Y397-F416 AromaticContact CD2-CE1 3.53Å; Y397-F416 HydrophobicContact CD2-CE1 3.53Å; Y397-F416 HydrophobicContact CD2-CE2 4.46Å; Y397-F416 AromaticContact CD2-CZ 3.79Å; Y397-F416 HydrophobicContact CD2-CZ 3.79Å; Y397-F416 HydrophobicContact CE2-CD1 4.03Å; Y397-F416 HydrophobicContact CE2-CE1 4.11Å; Y397-F416 HydrophobicContact CE2-CG 4.45Å; F414-F416 HydrophobicContact CB-CE2 3.7Å; F414-F416 HydrophobicContact CB-CZ 4.04Å; F414-F416 WeakPolarHBondContact O-CE2 3.41Å
417	H	68.5	Low	73.6	Confident	38 Å²	38	61.6 Å²	61.6	18%	0.176	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	120.3	178.4	-52.7	105	0	0	0	111.1	W361 M392 Q395 Y419	W361-H417 HydrophobicContact CB-CB 3.94Å; W361-H417 HydrophobicContact CD2-CB 4.01Å; W361-H417 AromaticContact CD2-CD2 3.65Å; W361-H417 AromaticContact CE2-CD2 3.19Å; W361-H417 AromaticContact CE2-CG 3.88Å; W361-H417 AromaticContact CE2-NE2 3.96Å; W361-H417 HydrophobicContact CG-CB 3.75Å; W361-H417 AromaticContact CH2-CD2 3.49Å; W361-H417 VanDerWaalsContact CH2-CD2 3.49Å; W361-H417 WeakPolarHBondContact CH2-CD2 3.49Å; W361-H417 AromaticContact CH2-NE2 3.98Å; W361-H417 AromaticContact CZ2-CD2 3.12Å; W361-H417 WeakPolarHBondContact CZ2-CD2 3.43Å; W361-H417 AromaticContact CZ2-NE2 3.53Å; W361-H417 AromaticContact CZ3-CD2 3.99Å; W361-H417 AromaticContact NE1-CD2 3.64Å; W361-H417 AromaticContact NE1-CG 3.93Å; M392-H417 WeakPolarHBondContact CE-O 3.2Å; Q395-H417 PolarHBondContact NE2-O 2.72Å; Q395-H417 VanDerWaalsContact OE1-CB 3.31Å; Q395-H417 PolarHBondContact OE1-ND1 3.25Å; H417-Y419 HydrophobicContact CB-CE2 3.82Å; H417-Y419 VanDerWaalsContact O-CD2 3.25Å; H417-Y419 WeakPolarHBondContact O-CD2 3.48Å; H417-Y419 WeakPolarHBondContact O-CE2 3.5Å
418	L	72.1	Confident	74	Confident	9 Å²	9	57.7 Å²	57.7	5%	0.047	27%	0.265	C	S	.	.			trans	-94.8	118.4	-178.3	-178.8	66	0	0	0	111.4	W361 R362 G363 V365 M392 L449 A479	W361-L418 CarbonylContact C-O 3.59Å; W361-L418 WeakPolarHBondContact CA-O 3.25Å; W361-L418 WeakPolarHBondContact CB-O 2.99Å; R362-L418 PolarHBondContact N-O 2.76Å; G363-L418 PolarHBondContact O-N 2.96Å; V365-L418 HydrophobicContact CG2-CB 4.06Å; V365-L418 HydrophobicContact CG2-CD2 4.34Å; M392-L418 HydrophobicContact CE-CB 4.29Å; M392-L418 HydrophobicContact CE-CD1 4.29Å; L418-L449 HydrophobicContact CD1-CD1 4.35Å; L418-A479 HydrophobicContact CD2-CB 4Å
419	Y	63.1	Low	74.4	Confident	60 Å²	60	58.4 Å²	58.4	24%	0.235	27%	0.269	C	S	.	.			trans	-97.4	-25.5	-173.8	-64.2	-87.3	0	0	0	114.7	A358 L360 W361 H394 H417	A358-Y419 PolarHBondContact O-OH 2.84Å; A358-Y419 VanDerWaalsContact O-OH 3.12Å; L360-Y419 WeakPolarHBondContact O-CD1 3.06Å; W361-Y419 HydrophobicContact CB-CD1 3.88Å; W361-Y419 HydrophobicContact CB-CE1 3.76Å; W361-Y419 HydrophobicContact CB-CG 4.34Å; W361-Y419 AromaticContact CD1-CE1 3.97Å; W361-Y419 HydrophobicContact CG-CE1 4.3Å; H394-Y419 AromaticContact CE1-CE2 3.49Å; H394-Y419 VanDerWaalsContact CE1-CE2 3.49Å; H394-Y419 WeakPolarHBondContact CE1-CE2 3.47Å; H394-Y419 AromaticContact CE1-CZ 3.82Å; H417-Y419 HydrophobicContact CB-CE2 3.82Å; H417-Y419 VanDerWaalsContact O-CD2 3.25Å; H417-Y419 WeakPolarHBondContact O-CD2 3.48Å; H417-Y419 WeakPolarHBondContact O-CE2 3.5Å
420	E	60.3	Low	74.9	Confident	115 Å²	115	54 Å²	54	54%	0.537	25%	0.249	S	C	.	.			trans	-114.6	145.3	-168.8	-62.6	-174.6	151.9	0	0	112.5	Q422	E420-Q422 VanDerWaalsContact C-N 3.28Å; E420-Q422 PolarHBondContact O-N 3.22Å
421	E	49	Very low	75.3	Confident	128 Å²	128	55.7 Å²	55.7	60%	0.598	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-28.5	-174.8	-72.8	-174.6	161.4	0	0	114	R362 G423	R362-E421 IonicContact CZ-OE1 3.54Å; R362-E421 VanDerWaalsContact NH1-CG 3.3Å; R362-E421 IonicContact NH1-OE1 2.64Å; R362-E421 PolarHBondContact NH1-OE1 3Å; R362-E421 VanDerWaalsContact NH2-CD 3.34Å; R362-E421 IonicContact NH2-OE1 2.94Å; R362-E421 PolarHBondContact NH2-OE1 3.15Å; E421-G423 VanDerWaalsContact C-N 3.28Å; E421-G423 PolarHBondContact O-N 3.25Å
422	Q	52.8	Low	75.8	Confident	164 Å²	164	47.1 Å²	47.1	77%	0.766	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-6.6	-169.6	-67.6	175	-29.7	0	0	113.4	E420 S450	E420-Q422 VanDerWaalsContact C-N 3.28Å; E420-Q422 PolarHBondContact O-N 3.22Å; Q422-S450 WeakPolarHBondContact O-CB 3.31Å
423	G	57.9	Low	76.8	Confident	16 Å²	16	51.6 Å²	51.6	17%	0.165	24%	0.239	C	C	.	.			trans	85.7	148.5	-164	0	0	0	0	0	110.7	E421	E421-G423 VanDerWaalsContact C-N 3.28Å; E421-G423 PolarHBondContact O-N 3.25Å
424	G	74.9	Confident	77.2	Confident	16 Å²	16	47.8 Å²	47.8	17%	0.165	22%	0.222	C	C	.	.			trans	-104.7	175.2	169.3	0	0	0	0	0	110.8	L449	G424-L449 WeakPolarHBondContact O-CB 3.47Å; G424-L449 WeakPolarHBondContact O-CD1 3.19Å; G424-L449 WeakPolarHBondContact O-CG 3.47Å; G424-L449 PolarHBondContact O-N 3.02Å
425	Y	86	Confident	76.8	Confident	148 Å²	148	52.3 Å²	52.3	58%	0.58	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.7	134.9	167.4	-57.6	-87.2	0	0	0	109.7	I447 D448	Y425-I447 CarbonylContact C-O 3.55Å; Y425-I447 WeakPolarHBondContact CA-O 3.37Å; Y425-D448 HydrophobicContact CD1-CB 3.92Å; Y425-D448 HydrophobicContact CE1-CB 3.75Å
426	V	89.6	Confident	76.1	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	112.7	165.7	-173.6	0	0	0	0	107.8	F390 R391 M392 I428 T446 I447 L449	F390-V426 HydrophobicContact CD1-CG1 4.43Å; R391-V426 WeakPolarHBondContact O-CA 3.45Å; M392-V426 HydrophobicContact CB-CG2 4.39Å; M392-V426 HydrophobicContact CG-CG2 4.07Å; M392-V426 HydrophobicContact SD-CG2 3.87Å; V426-I428 HydrophobicContact CG1-CD1 4.43Å; V426-I428 HydrophobicContact CG1-CG1 4.01Å; V426-T446 WeakPolarHBondContact O-CA 3.42Å; V426-I447 HydrophobicContact CB-CB 4.28Å; V426-I447 PolarHBondContact N-O 2.94Å; V426-I447 PolarHBondContact O-N 3.44Å; V426-L449 HydrophobicContact CG2-CD1 3.87Å; V426-L449 HydrophobicContact CG2-CD2 3.96Å; V426-L449 HydrophobicContact CG2-CG 4.06Å
427	D	90.7	Very high	76	Confident	27 Å²	27	60.7 Å²	60.7	14%	0.144	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	132	168.9	-75.7	-68.9	0	0	0	109.6	F390 R391 R444	F390-D427 CarbonylContact C-O 3.41Å; F390-D427 WeakPolarHBondContact CA-O 3.38Å; R391-D427 HydrophobicContact CB-CB 4.2Å; R391-D427 IonicContact CZ-OD2 3.9Å; R391-D427 PolarHBondContact N-O 2.76Å; R391-D427 IonicContact NE-OD2 3.76Å; R391-D427 PolarHBondContact NE-OD2 2.74Å; R391-D427 IonicContact NH2-OD1 3.77Å; R391-D427 PolarHBondContact NH2-OD1 2.91Å; R391-D427 IonicContact NH2-OD2 2.75Å; R391-D427 PolarHBondContact NH2-OD2 2.6Å; R391-D427 PolarHBondContact O-N 2.93Å; D427-R444 IonicContact OD1-CZ 2.74Å; D427-R444 IonicContact OD1-NE 3.56Å; D427-R444 IonicContact OD1-NH2 2.9Å; D427-R444 PolarHBondContact OD1-NH2 3.1Å
428	I	94.1	Very high	76.4	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	129.6	177.8	-51.2	-177.1	0	0	0	108.5	V388 F390 V426 R444 C445 I447 L462 L471 L473	V388-I428 HydrophobicContact CG1-CG2 3.4Å; V388-I428 VanDerWaalsContact CG1-CG2 3.4Å; F390-I428 HydrophobicContact CD1-CB 4.49Å; F390-I428 HydrophobicContact CD1-CD1 3.98Å; F390-I428 HydrophobicContact CD1-CG1 3.79Å; F390-I428 HydrophobicContact CD1-CG2 4.14Å; F390-I428 HydrophobicContact CE1-CD1 3.84Å; F390-I428 HydrophobicContact CE1-CG1 4.09Å; F390-I428 HydrophobicContact CE1-CG2 3.98Å; V426-I428 HydrophobicContact CG1-CD1 4.43Å; V426-I428 HydrophobicContact CG1-CG1 4.01Å; I428-R444 WeakPolarHBondContact O-CA 3.43Å; I428-R444 WeakPolarHBondContact O-CG 3.26Å; I428-C445 PolarHBondContact N-O 2.85Å; I428-C445 PolarHBondContact O-N 3.02Å; I428-I447 HydrophobicContact CD1-CD1 3.57Å; I428-I447 HydrophobicContact CD1-CG1 3.97Å; I428-L462 HydrophobicContact CD1-CD1 4.29Å; I428-L471 HydrophobicContact CG2-CD2 3.65Å; I428-L473 HydrophobicContact CD1-CD1 3.83Å; I428-L473 HydrophobicContact CD1-CD2 4.43Å
429	T	92	Very high	77.1	Confident	16 Å²	16	68.2 Å²	68.2	10%	0.098	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	135.8	178.2	53.5	0	0	0	0	110.7	V388 K389 W431 F441 G443 R444	V388-T429 WeakPolarHBondContact CA-O 3.34Å; K389-T429 PolarHBondContact N-O 3.29Å; K389-T429 PolarHBondContact O-N 2.89Å; K389-T429 PolarHBondContact O-OG1 2.92Å; T429-W431 VanDerWaalsContact CB-NE1 3.32Å; T429-W431 PolarHBondContact OG1-NE1 2.86Å; T429-F441 HydrophobicContact CG2-CE2 4.11Å; T429-G443 WeakPolarHBondContact CA-O 3.33Å; T429-R444 HydrophobicContact CG2-CB 4.13Å; T429-R444 HydrophobicContact CG2-CG 3.96Å
430	V	92.8	Very high	78.2	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	137.3	179.7	-169.1	0	0	0	0	108.7	L375 V388 M442 G443 L464 L471	L375-V430 HydrophobicContact CD1-CG1 4.28Å; V388-V430 HydrophobicContact CG2-CG2 4.41Å; V430-M442 HydrophobicContact CB-CB 4.15Å; V430-M442 HydrophobicContact CG1-CB 4.08Å; V430-M442 HydrophobicContact CG1-SD 3.91Å; V430-M442 PolarHBondContact O-N 2.89Å; V430-G443 PolarHBondContact N-O 2.59Å; V430-G443 PolarHBondContact O-N 3.1Å; V430-L464 HydrophobicContact CB-CD1 4.46Å; V430-L464 HydrophobicContact CG2-CD1 4.15Å; V430-L464 HydrophobicContact CG2-CD2 3.83Å; V430-L471 HydrophobicContact CG2-CD2 4.29Å
431	W	91.4	Very high	79.5	Confident	50 Å²	50	67.3 Å²	67.3	19%	0.189	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	144.9	-172.3	-65.1	81.2	0	0	0	110.1	P386 Y387 K389 T429 D439 D440 F441 M442	P386-W431 CarbonylContact C-O 3.53Å; P386-W431 WeakPolarHBondContact CA-O 3.37Å; Y387-W431 HydrophobicContact CD1-CB 4.05Å; Y387-W431 VanDerWaalsContact CD1-O 3.31Å; Y387-W431 WeakPolarHBondContact CD1-O 3.33Å; Y387-W431 HydrophobicContact CD2-CB 4.45Å; Y387-W431 HydrophobicContact CE1-CB 3.55Å; Y387-W431 HydrophobicContact CE2-CB 3.99Å; Y387-W431 HydrophobicContact CE2-CG 4.39Å; Y387-W431 HydrophobicContact CG-CB 4.5Å; Y387-W431 PolarHBondContact N-O 2.81Å; Y387-W431 PolarHBondContact O-N 3.12Å; K389-W431 HydrophobicContact CD-CD2 4.47Å; K389-W431 HydrophobicContact CD-CG 4.23Å; T429-W431 VanDerWaalsContact CB-NE1 3.32Å; T429-W431 PolarHBondContact OG1-NE1 2.86Å; W431-D439 HydrophobicContact CE3-CB 4.38Å; W431-D440 CarbonylContact C-O 3.51Å; W431-D440 WeakPolarHBondContact CA-O 3.31Å; W431-F441 HydrophobicContact CD2-CD2 4.15Å; W431-F441 AromaticContact CE2-CD2 3.78Å; W431-F441 HydrophobicContact CE3-CB 4.06Å; W431-F441 HydrophobicContact CE3-CD2 4.42Å; W431-F441 HydrophobicContact CH2-CB 4.18Å; W431-F441 HydrophobicContact CH2-CD2 4.03Å; W431-F441 HydrophobicContact CH2-CG 4.48Å; W431-F441 AromaticContact CZ2-CD2 3.74Å; W431-F441 HydrophobicContact CZ2-CD2 3.74Å; W431-F441 HydrophobicContact CZ2-CE2 4.39Å; W431-F441 HydrophobicContact CZ3-CB 3.86Å; W431-F441 HydrophobicContact CZ3-CD2 4.36Å; W431-M442 VanDerWaalsContact C-SD 3.56Å
432	D	90.2	Very high	81.2	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	32%	0.324	C	S	.	.			trans	-87.1	163.8	168.3	-147.1	-28.8	0	0	0	110.4	M378 S384 D385 Y387 D439 D440 M442	M378-D432 WeakPolarHBondContact CB-OD2 3.46Å; S384-D432 WeakPolarHBondContact CA-OD2 3.26Å; S384-D432 WeakPolarHBondContact CB-OD2 3.12Å; S384-D432 PolarHBondContact OG-OD2 3.03Å; D385-D432 WeakPolarHBondContact CA-OD1 3.47Å; D385-D432 PolarHBondContact N-OD1 2.79Å; Y387-D432 WeakPolarHBondContact CE1-O 3.15Å; D432-D439 WeakPolarHBondContact O-CA 3.5Å; D432-D439 WeakPolarHBondContact O-CB 3.46Å; D432-D440 HydrophobicContact CB-CB 4.41Å; D432-D440 PolarHBondContact N-O 2.77Å; D432-M442 HydrophobicContact CB-CG 4.19Å; D432-M442 HydrophobicContact CB-SD 4.04Å
433	R	87.4	Confident	82.8	Confident	118 Å²	118	53.4 Å²	53.4	45%	0.445	29%	0.288	S	S	.	.			trans	-125.2	93.3	178.5	169.6	160.8	-94.9	-164.7	-15.1	111.5	D385 Y387 T401	D385-R433 HydrophobicContact CB-CB 4.21Å; D385-R433 PolarHBondContact O-N 2.84Å; Y387-R433 HydrophobicContact CD1-CB 4.21Å; Y387-R433 HydrophobicContact CE1-CB 4.23Å; T401-R433 HydrophobicContact CG2-CB 3.84Å; T401-R433 HydrophobicContact CG2-CG 4.28Å
434	D	83.5	Confident	84.4	Confident	21 Å²	21	56 Å²	56	11%	0.112	29%	0.292	C	S	.	.			trans	-68.4	130.3	167.5	-77.8	-103.7	0	0	0	113	G436 K437	D434-G436 PolarHBondContact O-N 3.34Å; D434-K437 HydrophobicContact CB-CB 3.65Å; D434-K437 HydrophobicContact CB-CG 4.1Å; D434-K437 WeakPolarHBondContact OD1-CD 3.4Å; D434-K437 WeakPolarHBondContact OD1-CE 3.43Å; D434-K437 IonicContact OD1-NZ 3.78Å; D434-K437 PolarHBondContact OD1-NZ 2.82Å
435	A	68.1	Low	85.1	Confident	113 Å²	113	55.4 Å²	55.4	93%	0.934	29%	0.286	S	S	*	.	S	Bend	trans	-74.5	84.7	165.9	0	0	0	0	0	111.1
436	G	59.1	Low	85.3	Confident	82 Å²	82	51 Å²	51	85%	0.845	27%	0.274	S	S	*	.	S	Bend	trans	104.3	7.9	172.4	0	0	0	0	0	115.9	D434	D434-G436 PolarHBondContact O-N 3.34Å
437	K	72.5	Confident	85.4	Confident	153 Å²	153	51.4 Å²	51.4	67%	0.665	28%	0.276	S	S	*	.	S	Bend	trans	-108.9	-167.1	160.8	-45.9	-166.9	-152.4	112.2	0	109.9	D434	D434-K437 HydrophobicContact CB-CB 3.65Å; D434-K437 HydrophobicContact CB-CG 4.1Å; D434-K437 WeakPolarHBondContact OD1-CD 3.4Å; D434-K437 WeakPolarHBondContact OD1-CE 3.43Å; D434-K437 IonicContact OD1-NZ 3.78Å; D434-K437 PolarHBondContact OD1-NZ 2.82Å
438	K	76.6	Confident	85.2	Confident	169 Å²	169	51.9 Å²	51.9	74%	0.735	28%	0.279	S	S	*	.			trans	-91.4	121.4	169.1	178.4	-170.1	176.1	-170.2	0	108.2	D440	K438-D440 PolarHBondContact O-N 2.79Å
439	D	86.9	Confident	84.7	Confident	37 Å²	37	52 Å²	52	20%	0.198	28%	0.28	C	S	.	.			trans	-32.5	113.8	171.3	-65.1	24	0	0	0	113.2	Y387 W431 D432	Y387-D439 VanDerWaalsContact CE1-OD2 3.24Å; Y387-D439 WeakPolarHBondContact CE1-OD2 3.33Å; Y387-D439 VanDerWaalsContact CZ-OD2 3.26Å; Y387-D439 PolarHBondContact OH-OD2 2.79Å; W431-D439 HydrophobicContact CE3-CB 4.38Å; D432-D439 WeakPolarHBondContact O-CA 3.5Å; D432-D439 WeakPolarHBondContact O-CB 3.46Å
440	D	86.1	Confident	84.1	Confident	83 Å²	83	54.3 Å²	54.3	44%	0.444	30%	0.296	S	S	.	.			trans	-73	154.4	176.7	-89.3	-27.7	0	0	0	112.4	W431 D432 K438	W431-D440 CarbonylContact C-O 3.51Å; W431-D440 WeakPolarHBondContact CA-O 3.31Å; D432-D440 HydrophobicContact CB-CB 4.41Å; D432-D440 PolarHBondContact N-O 2.77Å; K438-D440 PolarHBondContact O-N 2.79Å
441	F	87.9	Confident	83.4	Confident	72 Å²	72	61 Å²	61	32%	0.316	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	128.2	-175.4	173.6	-107.4	0	0	0	111.2	T429 W431 G443 R444 E466	T429-F441 HydrophobicContact CG2-CE2 4.11Å; W431-F441 HydrophobicContact CD2-CD2 4.15Å; W431-F441 AromaticContact CE2-CD2 3.78Å; W431-F441 HydrophobicContact CE3-CB 4.06Å; W431-F441 HydrophobicContact CE3-CD2 4.42Å; W431-F441 HydrophobicContact CH2-CB 4.18Å; W431-F441 HydrophobicContact CH2-CD2 4.03Å; W431-F441 HydrophobicContact CH2-CG 4.48Å; W431-F441 AromaticContact CZ2-CD2 3.74Å; W431-F441 HydrophobicContact CZ2-CD2 3.74Å; W431-F441 HydrophobicContact CZ2-CE2 4.39Å; W431-F441 HydrophobicContact CZ3-CB 3.86Å; W431-F441 HydrophobicContact CZ3-CD2 4.36Å; F441-G443 VanDerWaalsContact CE2-O 3.3Å; F441-G443 WeakPolarHBondContact CE2-O 3.44Å; F441-G443 VanDerWaalsContact CZ-CA 3.48Å; F441-R444 HydrophobicContact CZ-CB 4.05Å; F441-E466 HydrophobicContact CE1-CB 3.88Å; F441-E466 WeakPolarHBondContact CE1-OE2 3.5Å; F441-E466 HydrophobicContact CZ-CB 4.31Å; F441-E466 VanDerWaalsContact CZ-OE2 3.24Å; F441-E466 WeakPolarHBondContact CZ-OE2 3.33Å
442	M	84.4	Confident	82.9	Confident	1 Å²	1	59.5 Å²	59.5	1%	0.005	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	-12.3	-174.4	-51.9	178.1	84	0	0	113.9	L375 Q376 M378 S384 P386 V430 W431 D432	L375-M442 HydrophobicContact CB-CE 4.06Å; L375-M442 HydrophobicContact CD1-CE 4.49Å; Q376-M442 WeakPolarHBondContact O-CE 3.47Å; M378-M442 HydrophobicContact CE-CB 4.35Å; M378-M442 HydrophobicContact CE-CG 4.27Å; M378-M442 HydrophobicContact CG-CG 4.39Å; S384-M442 WeakPolarHBondContact OG-CE 3.42Å; P386-M442 HydrophobicContact CB-CE 4.4Å; P386-M442 HydrophobicContact CB-SD 3.92Å; V430-M442 HydrophobicContact CB-CB 4.15Å; V430-M442 HydrophobicContact CG1-CB 4.08Å; V430-M442 HydrophobicContact CG1-SD 3.91Å; V430-M442 PolarHBondContact O-N 2.89Å; W431-M442 VanDerWaalsContact C-SD 3.56Å; D432-M442 HydrophobicContact CB-CG 4.19Å; D432-M442 HydrophobicContact CB-SD 4.04Å
443	G	86.9	Confident	81.8	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	142.7	171.9	175.8	0	0	0	0	0	114.8	T429 V430 F441	T429-G443 WeakPolarHBondContact CA-O 3.33Å; V430-G443 PolarHBondContact N-O 2.59Å; V430-G443 PolarHBondContact O-N 3.1Å; F441-G443 VanDerWaalsContact CE2-O 3.3Å; F441-G443 WeakPolarHBondContact CE2-O 3.44Å; F441-G443 VanDerWaalsContact CZ-CA 3.48Å
444	R	90.3	Very high	81	Confident	70 Å²	70	62.4 Å²	62.4	26%	0.264	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	151.5	-178.6	-177.9	176.3	-174.3	-174.4	-2.5	111.1	D427 I428 T429 F441 L464 E465	D427-R444 IonicContact OD1-CZ 2.74Å; D427-R444 IonicContact OD1-NE 3.56Å; D427-R444 IonicContact OD1-NH2 2.9Å; D427-R444 PolarHBondContact OD1-NH2 3.1Å; I428-R444 WeakPolarHBondContact O-CA 3.43Å; I428-R444 WeakPolarHBondContact O-CG 3.26Å; T429-R444 HydrophobicContact CG2-CB 4.13Å; T429-R444 HydrophobicContact CG2-CG 3.96Å; F441-R444 HydrophobicContact CZ-CB 4.05Å; R444-L464 CarbonylContact O-C 3.48Å; R444-L464 WeakPolarHBondContact O-CA 3.49Å; R444-E465 PolarHBondContact O-N 3.17Å
445	C	91.2	Very high	80	Confident	3 Å²	3	67.3 Å²	67.3	2%	0.02	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	163.9	158.8	54.3	0	0	0	0	109.3	I428 L462 L464	I428-C445 PolarHBondContact N-O 2.85Å; I428-C445 PolarHBondContact O-N 3.02Å; C445-L462 HydrophobicContact CB-CB 4.18Å; C445-L462 HydrophobicContact CB-CD1 4.49Å; C445-L464 HydrophobicContact CB-CD2 4.45Å
446	T	90.5	Very high	79.7	Confident	56 Å²	56	67 Å²	67	34%	0.344	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	149.6	178	63.6	0	0	0	0	111.3	V426	V426-T446 WeakPolarHBondContact O-CA 3.42Å
447	I	90	Very high	80.3	Confident	8 Å²	8	66.4 Å²	66.4	4%	0.041	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	117.4	174.9	-51.3	179.3	0	0	0	108.6	Y425 V426 I428 L449 L452 L460 L462 V475	Y425-I447 CarbonylContact C-O 3.55Å; Y425-I447 WeakPolarHBondContact CA-O 3.37Å; V426-I447 HydrophobicContact CB-CB 4.28Å; V426-I447 PolarHBondContact N-O 2.94Å; V426-I447 PolarHBondContact O-N 3.44Å; I428-I447 HydrophobicContact CD1-CD1 3.57Å; I428-I447 HydrophobicContact CD1-CG1 3.97Å; I447-L449 HydrophobicContact CG2-CD2 4.22Å; I447-L452 HydrophobicContact CG2-CD1 4Å; I447-L460 HydrophobicContact CD1-CD1 3.97Å; I447-L460 HydrophobicContact CG1-CD1 4.44Å; I447-L460 HydrophobicContact CG2-CD1 3.91Å; I447-L462 HydrophobicContact CD1-CD1 3.75Å; I447-L462 HydrophobicContact CG1-CD1 3.56Å; I447-V475 HydrophobicContact CD1-CG2 3.96Å
448	D	87.5	Confident	80.5	Confident	38 Å²	38	60.9 Å²	60.9	20%	0.203	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	115.1	164.3	-177.5	3.5	0	0	0	109.7	Y425 S450 L451	Y425-D448 HydrophobicContact CD1-CB 3.92Å; Y425-D448 HydrophobicContact CE1-CB 3.75Å; D448-S450 VanDerWaalsContact C-N 3.26Å; D448-S450 PolarHBondContact O-N 2.85Å; D448-S450 WeakPolarHBondContact OD1-CB 3.17Å; D448-S450 PolarHBondContact OD1-N 3.2Å; D448-S450 PolarHBondContact OD1-OG 3.29Å; D448-S450 PolarHBondContact OD2-OG 3.42Å; D448-L451 HydrophobicContact CB-CD1 4.13Å; D448-L451 HydrophobicContact CB-CG 4.19Å
449	L	83.9	Confident	80.9	Confident	2 Å²	2	58.5 Å²	58.5	1%	0.01	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-75.8	-13	178.5	-58.3	172.4	0	0	0	112.8	V365 M392 L418 G424 V426 I447 L451 L452 V475 L477	V365-L449 HydrophobicContact CB-CD1 4.44Å; V365-L449 HydrophobicContact CG1-CD1 4.09Å; V365-L449 HydrophobicContact CG1-CD2 3.68Å; V365-L449 HydrophobicContact CG2-CD1 3.68Å; V365-L449 HydrophobicContact CG2-CD2 4.49Å; M392-L449 HydrophobicContact SD-CD1 3.52Å; M392-L449 VanDerWaalsContact SD-CD1 3.52Å; L418-L449 HydrophobicContact CD1-CD1 4.35Å; G424-L449 WeakPolarHBondContact O-CB 3.47Å; G424-L449 WeakPolarHBondContact O-CD1 3.19Å; G424-L449 WeakPolarHBondContact O-CG 3.47Å; G424-L449 PolarHBondContact O-N 3.02Å; V426-L449 HydrophobicContact CG2-CD1 3.87Å; V426-L449 HydrophobicContact CG2-CD2 3.96Å; V426-L449 HydrophobicContact CG2-CG 4.06Å; I447-L449 HydrophobicContact CG2-CD2 4.22Å; L449-L451 PolarHBondContact O-N 2.83Å; L449-L452 HydrophobicContact CD2-CD1 4.15Å; L449-L452 PolarHBondContact O-N 2.89Å; L449-V475 HydrophobicContact CD2-CG1 4.22Å; L449-L477 HydrophobicContact CB-CD2 4.28Å; L449-L477 HydrophobicContact CD2-CD1 4.03Å; L449-L477 WeakPolarHBondContact O-CD2 3.44Å
450	S	78.9	Confident	80.9	Confident	65 Å²	65	58.3 Å²	58.3	46%	0.455	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-65.1	-30.1	176.8	87	0	0	0	0	112.4	Q422 D448	Q422-S450 WeakPolarHBondContact O-CB 3.31Å; D448-S450 VanDerWaalsContact C-N 3.26Å; D448-S450 PolarHBondContact O-N 2.85Å; D448-S450 WeakPolarHBondContact OD1-CB 3.17Å; D448-S450 PolarHBondContact OD1-N 3.2Å; D448-S450 PolarHBondContact OD1-OG 3.29Å; D448-S450 PolarHBondContact OD2-OG 3.42Å
451	L	78.1	Confident	81.1	Confident	139 Å²	139	58 Å²	58	73%	0.728	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-81.4	-15.4	-176.7	-55.6	179.6	0	0	0	113.4	D448 L449	D448-L451 HydrophobicContact CB-CD1 4.13Å; D448-L451 HydrophobicContact CB-CG 4.19Å; L449-L451 PolarHBondContact O-N 2.83Å
452	L	79.9	Confident	81.2	Confident	20 Å²	20	55.8 Å²	55.8	11%	0.105	29%	0.287	C	S	.	.	S	Bend	trans	-93.3	129.4	-173.4	-58.3	-178	0	0	0	111.1	I447 L449 K454 H458 L460 V475 L477	I447-L452 HydrophobicContact CG2-CD1 4Å; L449-L452 HydrophobicContact CD2-CD1 4.15Å; L449-L452 PolarHBondContact O-N 2.89Å; L452-K454 PolarHBondContact O-N 3.13Å; L452-H458 HydrophobicContact CD2-CB 4.08Å; L452-L460 HydrophobicContact CD1-CD1 4.22Å; L452-L460 HydrophobicContact CD2-CD1 4.46Å; L452-L460 HydrophobicContact CD2-CD2 4.26Å; L452-V475 HydrophobicContact CD1-CB 4.16Å; L452-V475 HydrophobicContact CD1-CG1 3.67Å; L452-L477 HydrophobicContact CB-CD1 3.79Å; L452-L477 HydrophobicContact CB-CD2 4Å; L452-L477 HydrophobicContact CD1-CD1 3.74Å; L452-L477 HydrophobicContact CG-CD1 4.42Å
453	S	68.4	Low	81.5	Confident	64 Å²	64	59.9 Å²	59.9	45%	0.448	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-67.7	135.7	176.7	68.2	0	0	0	0	111.5	H458	S453-H458 PolarHBondContact N-CE1 3.07Å; S453-H458 VanDerWaalsContact N-CE1 3.35Å; S453-H458 PolarHBondContact N-NE2 3.37Å; S453-H458 VanDerWaalsContact N-NE2 3.13Å; S453-H458 PolarHBondContact O-NE2 2.92Å; S453-H458 PolarHBondContact OG-CE1 3.38Å; S453-H458 PolarHBondContact OG-NE2 2.94Å
454	K	69.6	Low	81.7	Confident	115 Å²	115	60.6 Å²	60.6	50%	0.5	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	150.6	-178.3	-57.3	-179.6	176.1	-175.9	0	110.7	L452 H456 A479	L452-K454 PolarHBondContact O-N 3.13Å; K454-H456 PolarHBondContact O-N 2.86Å; K454-A479 HydrophobicContact CD-CB 3.84Å; K454-A479 HydrophobicContact CG-CB 4.03Å
455	E	63	Low	81.3	Confident	123 Å²	123	63.4 Å²	63.4	58%	0.575	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.8	27.9	-178.2	-55.2	-179.5	-177	0	0	113.8	L477 S480	E455-L477 PolarHBondContact N-O 3.41Å; E455-S480 WeakPolarHBondContact OE1-CB 3.08Å; E455-S480 PolarHBondContact OE1-OG 3.01Å
456	H	61.1	Low	80.4	Confident	108 Å²	108	69 Å²	69	50%	0.5	36%	0.359	S	S	.	.	S	Bend	trans	-136	152.6	174.4	-167.7	70.5	0	0	0	111.3	K454 H458 T476	K454-H456 PolarHBondContact O-N 2.86Å; H456-H458 AromaticContact CD2-CE1 3.73Å; H456-H458 AromaticContact CD2-NE2 3.9Å; H456-H458 PolarHBondContact O-CD2 2.88Å; H456-T476 WeakPolarHBondContact O-CA 3.49Å
457	T	72.6	Confident	79.6	Confident	69 Å²	69	67.4 Å²	67.4	42%	0.423	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	113.1	178.1	-57.6	0	0	0	0	109.9	L474 T476	T457-L474 HydrophobicContact CG2-CB 3.97Å; T457-T476 WeakPolarHBondContact CB-OG1 3.37Å; T457-T476 WeakPolarHBondContact CG2-OG1 3.14Å; T457-T476 PolarHBondContact OG1-OG1 3.15Å
458	H	76.7	Confident	79.1	Confident	36 Å²	36	73.8 Å²	73.8	17%	0.167	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	127.7	-178.8	-60.8	-88.9	0	0	0	110.3	L452 S453 H456 L460 L474 V475	L452-H458 HydrophobicContact CD2-CB 4.08Å; S453-H458 PolarHBondContact N-CE1 3.07Å; S453-H458 VanDerWaalsContact N-CE1 3.35Å; S453-H458 PolarHBondContact N-NE2 3.37Å; S453-H458 VanDerWaalsContact N-NE2 3.13Å; S453-H458 PolarHBondContact O-NE2 2.92Å; S453-H458 PolarHBondContact OG-CE1 3.38Å; S453-H458 PolarHBondContact OG-NE2 2.94Å; H456-H458 AromaticContact CD2-CE1 3.73Å; H456-H458 AromaticContact CD2-NE2 3.9Å; H456-H458 PolarHBondContact O-CD2 2.88Å; H458-L460 HydrophobicContact CB-CD2 4.43Å; H458-L460 HydrophobicContact CB-CG 4.49Å; H458-L474 CarbonylContact O-C 3.53Å; H458-L474 WeakPolarHBondContact O-CA 3.34Å; H458-V475 PolarHBondContact N-O 2.98Å; H458-V475 PolarHBondContact O-N 3.09Å
459	K	84.4	Confident	79	Confident	119 Å²	119	72.7 Å²	72.7	52%	0.517	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	122.6	167.8	-179.7	176.2	176	-64.7	0	109.2	D461 L474	K459-D461 IonicContact NZ-OD1 3.89Å; K459-D461 PolarHBondContact NZ-OD1 3.37Å; K459-D461 IonicContact NZ-OD2 2.76Å; K459-D461 PolarHBondContact NZ-OD2 3.01Å; K459-L474 HydrophobicContact CB-CD2 3.71Å; K459-L474 HydrophobicContact CD-CD2 4.48Å; K459-L474 HydrophobicContact CG-CD2 3.9Å
460	L	87.4	Confident	79.3	Confident	34 Å²	34	75 Å²	75	18%	0.178	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	122.7	-179.4	-58.6	177.5	0	0	0	109.3	I447 L452 H458 L462 L473 V475	I447-L460 HydrophobicContact CD1-CD1 3.97Å; I447-L460 HydrophobicContact CG1-CD1 4.44Å; I447-L460 HydrophobicContact CG2-CD1 3.91Å; L452-L460 HydrophobicContact CD1-CD1 4.22Å; L452-L460 HydrophobicContact CD2-CD1 4.46Å; L452-L460 HydrophobicContact CD2-CD2 4.26Å; H458-L460 HydrophobicContact CB-CD2 4.43Å; H458-L460 HydrophobicContact CB-CG 4.49Å; L460-L462 HydrophobicContact CB-CD2 4.06Å; L460-L462 HydrophobicContact CB-CG 4.14Å; L460-L473 PolarHBondContact N-O 3.16Å; L460-L473 PolarHBondContact O-N 3.16Å; L460-V475 HydrophobicContact CD1-CB 4.18Å; L460-V475 HydrophobicContact CD1-CG2 3.83Å
461	D	90.4	Very high	80	Confident	75 Å²	75	71.9 Å²	71.9	40%	0.401	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	96.3	172.2	-65.7	-10.3	0	0	0	106.9	K459 V470	K459-D461 IonicContact NZ-OD1 3.89Å; K459-D461 PolarHBondContact NZ-OD1 3.37Å; K459-D461 IonicContact NZ-OD2 2.76Å; K459-D461 PolarHBondContact NZ-OD2 3.01Å; D461-V470 HydrophobicContact CB-CG1 4.18Å
462	L	90.2	Very high	80.5	Confident	27 Å²	27	65.5 Å²	65.5	14%	0.141	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	117.3	-170.1	-58.3	179.1	0	0	0	110.7	I428 C445 I447 L460 V470 L471 L473	I428-L462 HydrophobicContact CD1-CD1 4.29Å; C445-L462 HydrophobicContact CB-CB 4.18Å; C445-L462 HydrophobicContact CB-CD1 4.49Å; I447-L462 HydrophobicContact CD1-CD1 3.75Å; I447-L462 HydrophobicContact CG1-CD1 3.56Å; L460-L462 HydrophobicContact CB-CD2 4.06Å; L460-L462 HydrophobicContact CB-CG 4.14Å; L462-V470 CarbonylContact O-C 3.57Å; L462-V470 WeakPolarHBondContact O-CA 3.47Å; L462-L471 PolarHBondContact N-O 3.31Å; L462-L471 PolarHBondContact O-N 2.82Å; L462-L473 HydrophobicContact CD1-CD1 3.58Å; L462-L473 HydrophobicContact CG-CD1 4.25Å
463	P	91.5	Very high	81	Confident	86 Å²	86	64.5 Å²	64.5	56%	0.558	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.4	152	168	30.9	-34.2	0	0	0	110.3
464	L	90.8	Very high	81.6	Confident	16 Å²	16	64 Å²	64	8%	0.084	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-82.5	136.9	170.8	-60.4	176.8	0	0	0	110.1	L375 V430 R444 C445 G467 G469	L375-L464 HydrophobicContact CD2-CD1 3.99Å; V430-L464 HydrophobicContact CB-CD1 4.46Å; V430-L464 HydrophobicContact CG2-CD1 4.15Å; V430-L464 HydrophobicContact CG2-CD2 3.83Å; R444-L464 CarbonylContact O-C 3.48Å; R444-L464 WeakPolarHBondContact O-CA 3.49Å; C445-L464 HydrophobicContact CB-CD2 4.45Å; L464-G467 WeakPolarHBondContact CB-O 3.37Å; L464-G469 PolarHBondContact N-O 3.05Å
465	E	82.1	Confident	82.2	Confident	128 Å²	128	58.6 Å²	58.6	60%	0.598	30%	0.304	S	S	*	.	S	Bend	trans	-83.7	-27.2	-175.9	-65.6	169.8	176.9	0	0	112.6	R444	R444-E465 PolarHBondContact O-N 3.17Å
466	E	72.2	Confident	83	Confident	120 Å²	120	54 Å²	54	56%	0.561	28%	0.284	S	S	*	.	S	Bend	trans	-123	23	-171.2	-63.6	179	149.4	0	0	112.5	F441	F441-E466 HydrophobicContact CE1-CB 3.88Å; F441-E466 WeakPolarHBondContact CE1-OE2 3.5Å; F441-E466 HydrophobicContact CZ-CB 4.31Å; F441-E466 VanDerWaalsContact CZ-OE2 3.24Å; F441-E466 WeakPolarHBondContact CZ-OE2 3.33Å
467	G	72.1	Confident	83.4	Confident	23 Å²	23	49 Å²	49	24%	0.237	26%	0.261	C	S	.	.	S	Bend	trans	179.7	170.5	178.6	0	0	0	0	0	112.6	L464	L464-G467 WeakPolarHBondContact CB-O 3.37Å
468	E	79.5	Confident	82.9	Confident	142 Å²	142	47.7 Å²	47.7	66%	0.664	25%	0.253	S	S	*	.	S	Bend	trans	-82.3	128.6	179.6	-60.8	-167.3	151.6	0	0	112.3	L375 Q376	L375-E468 WeakPolarHBondContact CA-O 3.36Å; Q376-E468 HydrophobicContact CB-CB 4.25Å; Q376-E468 PolarHBondContact N-O 2.76Å
469	G	85.9	Confident	81.5	Confident	15 Å²	15	46.3 Å²	46.3	16%	0.155	25%	0.248	C	C	.	.			trans	148.5	169	171.1	0	0	0	0	0	114.9	R373 N374 L464	R373-G469 WeakPolarHBondContact O-CA 3.12Å; N374-G469 VanDerWaalsContact O-CA 3.29Å; N374-G469 WeakPolarHBondContact O-CA 3.35Å; L464-G469 PolarHBondContact N-O 3.05Å
470	V	91.6	Very high	79.6	Confident	51 Å²	51	41.6 Å²	41.6	31%	0.309	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	133.2	174.4	-179.8	0	0	0	0	110.1	G372 R373 D461 L462	G372-V470 CarbonylContact C-O 3.5Å; R373-V470 PolarHBondContact N-O 3.28Å; R373-V470 PolarHBondContact O-N 2.72Å; D461-V470 HydrophobicContact CB-CG1 4.18Å; L462-V470 CarbonylContact O-C 3.57Å; L462-V470 WeakPolarHBondContact O-CA 3.47Å
471	L	91.9	Very high	77.4	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	123.7	179.8	-160.1	63.9	0	0	0	110.6	L369 V388 W410 I428 V430 L462 L473	L369-L471 HydrophobicContact CD1-CD1 3.78Å; L369-L471 HydrophobicContact CD1-CD2 4.22Å; L369-L471 HydrophobicContact CD1-CG 3.99Å; V388-L471 HydrophobicContact CG1-CD2 4.3Å; V388-L471 HydrophobicContact CG2-CD1 4.3Å; V388-L471 HydrophobicContact CG2-CD2 4.41Å; W410-L471 HydrophobicContact CH2-CD1 4.14Å; W410-L471 HydrophobicContact CZ3-CD1 3.65Å; I428-L471 HydrophobicContact CG2-CD2 3.65Å; V430-L471 HydrophobicContact CG2-CD2 4.29Å; L462-L471 PolarHBondContact N-O 3.31Å; L462-L471 PolarHBondContact O-N 2.82Å; L471-L473 HydrophobicContact CB-CD1 4.37Å; L471-L473 HydrophobicContact CD2-CD1 3.97Å; L471-L473 HydrophobicContact CG-CD1 4Å; L471-L473 HydrophobicContact CG-CG 4.41Å
472	V	89.4	Confident	75.4	Confident	4 Å²	4	42 Å²	42	2%	0.024	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	117.8	-177.8	-179.5	0	0	0	0	109.9	I370 E371 R373	I370-V472 HydrophobicContact CB-CG1 4.25Å; I370-V472 WeakPolarHBondContact CB-O 3.49Å; I370-V472 PolarHBondContact N-O 2.9Å; E371-V472 HydrophobicContact CG-CB 3.77Å; E371-V472 HydrophobicContact CG-CG1 4.38Å; E371-V472 HydrophobicContact CG-CG2 3.92Å; E371-V472 PolarHBondContact N-O 3.42Å; E371-V472 PolarHBondContact O-N 3.23Å; R373-V472 HydrophobicContact CG-CG2 4.47Å
473	L	89.5	Confident	73.6	Confident	0 Å²	0	41 Å²	41	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	150.1	-175.3	-67.7	135.4	0	0	0	111	V367 S368 L369 F390 I428 L460 L462 L471 V475	V367-L473 HydrophobicContact CG1-CD2 3.51Å; S368-L473 WeakPolarHBondContact O-CA 3.38Å; L369-L473 HydrophobicContact CB-CD2 4.26Å; L369-L473 HydrophobicContact CD1-CD2 3.97Å; L369-L473 HydrophobicContact CD1-CG 4.44Å; F390-L473 HydrophobicContact CE1-CD2 3.83Å; F390-L473 HydrophobicContact CZ-CD2 4.14Å; I428-L473 HydrophobicContact CD1-CD1 3.83Å; I428-L473 HydrophobicContact CD1-CD2 4.43Å; L460-L473 PolarHBondContact N-O 3.16Å; L460-L473 PolarHBondContact O-N 3.16Å; L462-L473 HydrophobicContact CD1-CD1 3.58Å; L462-L473 HydrophobicContact CG-CD1 4.25Å; L471-L473 HydrophobicContact CB-CD1 4.37Å; L471-L473 HydrophobicContact CD2-CD1 3.97Å; L471-L473 HydrophobicContact CG-CD1 4Å; L471-L473 HydrophobicContact CG-CG 4.41Å; L473-V475 HydrophobicContact CB-CG2 4.41Å
474	L	82	Confident	71.8	Confident	54 Å²	54	38.2 Å²	38.2	28%	0.283	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	126.8	161.4	-54.9	179.4	0	0	0	108.3	V367 S368 I370 T457 H458 K459	V367-L474 CarbonylContact C-O 3.59Å; V367-L474 WeakPolarHBondContact CA-O 3.46Å; S368-L474 PolarHBondContact N-O 3.05Å; S368-L474 PolarHBondContact O-N 3.33Å; I370-L474 HydrophobicContact CD1-CD1 4.04Å; I370-L474 HydrophobicContact CD1-CG 4.05Å; I370-L474 HydrophobicContact CG1-CD1 4.44Å; I370-L474 HydrophobicContact CG1-CG 4Å; T457-L474 HydrophobicContact CG2-CB 3.97Å; H458-L474 CarbonylContact O-C 3.53Å; H458-L474 WeakPolarHBondContact O-CA 3.34Å; K459-L474 HydrophobicContact CB-CD2 3.71Å; K459-L474 HydrophobicContact CD-CD2 4.48Å; K459-L474 HydrophobicContact CG-CD2 3.9Å
475	V	82.8	Confident	70.1	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	118.6	-178.1	-179.3	0	0	0	0	110	V365 S366 V367 I447 L449 L452 H458 L460 L473 L477	V365-V475 HydrophobicContact CG1-CG1 4.1Å; S366-V475 CarbonylContact O-C 3.54Å; S366-V475 WeakPolarHBondContact O-CA 3.4Å; V367-V475 HydrophobicContact CG1-CG2 4.26Å; V367-V475 HydrophobicContact CG2-CG1 4.43Å; V367-V475 HydrophobicContact CG2-CG2 4.29Å; I447-V475 HydrophobicContact CD1-CG2 3.96Å; L449-V475 HydrophobicContact CD2-CG1 4.22Å; L452-V475 HydrophobicContact CD1-CB 4.16Å; L452-V475 HydrophobicContact CD1-CG1 3.67Å; H458-V475 PolarHBondContact N-O 2.98Å; H458-V475 PolarHBondContact O-N 3.09Å; L460-V475 HydrophobicContact CD1-CB 4.18Å; L460-V475 HydrophobicContact CD1-CG2 3.83Å; L473-V475 HydrophobicContact CB-CG2 4.41Å; V475-L477 HydrophobicContact CG1-CD1 3.78Å
476	T	78.3	Confident	68.7	Low	28 Å²	28	31.9 Å²	31.9	17%	0.172	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	116.6	-178.7	-51.4	0	0	0	0	110.1	S366 H456 T457 T478	S366-T476 PolarHBondContact N-O 3.09Å; S366-T476 PolarHBondContact O-N 3.37Å; H456-T476 WeakPolarHBondContact O-CA 3.49Å; T457-T476 WeakPolarHBondContact CB-OG1 3.37Å; T457-T476 WeakPolarHBondContact CG2-OG1 3.14Å; T457-T476 PolarHBondContact OG1-OG1 3.15Å; T476-T478 PolarHBondContact O-N 2.85Å
477	L	70.8	Confident	67.8	Low	2 Å²	2	28 Å²	28	1%	0.01	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	90.3	176.4	-86	67.7	0	0	0	110.2	V365 L449 L452 E455 V475 A479	V365-L477 HydrophobicContact CG1-CD1 4.41Å; V365-L477 HydrophobicContact CG2-CG 4.48Å; L449-L477 HydrophobicContact CB-CD2 4.28Å; L449-L477 HydrophobicContact CD2-CD1 4.03Å; L449-L477 WeakPolarHBondContact O-CD2 3.44Å; L452-L477 HydrophobicContact CB-CD1 3.79Å; L452-L477 HydrophobicContact CB-CD2 4Å; L452-L477 HydrophobicContact CD1-CD1 3.74Å; L452-L477 HydrophobicContact CG-CD1 4.42Å; E455-L477 PolarHBondContact N-O 3.41Å; V475-L477 HydrophobicContact CG1-CD1 3.78Å; L477-A479 HydrophobicContact CB-CB 4.34Å; L477-A479 PolarHBondContact O-N 3.35Å
478	T	60.7	Low	67	Low	41 Å²	41	29.3 Å²	29.3	25%	0.252	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	52.6	165.8	-46.8	0	0	0	0	109.9	G363 I364 T476 S480	G363-T478 CarbonylContact C-O 3.56Å; G363-T478 WeakPolarHBondContact CA-O 3.35Å; I364-T478 PolarHBondContact N-O 2.83Å; I364-T478 CarbonylContact O-C 3.25Å; I364-T478 WeakPolarHBondContact O-CA 3.2Å; I364-T478 WeakPolarHBondContact O-CB 3.36Å; I364-T478 PolarHBondContact O-N 2.87Å; T476-T478 PolarHBondContact O-N 2.85Å; T478-S480 VanDerWaalsContact C-N 3.28Å; T478-S480 PolarHBondContact O-N 2.99Å
479	A	47.6	Very low	64.9	Low	7 Å²	7	26.2 Å²	26.2	6%	0.058	18%	0.175	C	C	.	.			trans	-92.7	47.3	-178.3	0	0	0	0	0	111.5	L418 K454 L477 A481	L418-A479 HydrophobicContact CD2-CB 4Å; K454-A479 HydrophobicContact CD-CB 3.84Å; K454-A479 HydrophobicContact CG-CB 4.03Å; L477-A479 HydrophobicContact CB-CB 4.34Å; L477-A479 PolarHBondContact O-N 3.35Å; A479-A481 PolarHBondContact O-N 2.93Å
480	S	44	Very low	63.2	Low	21 Å²	21	29.4 Å²	29.4	15%	0.147	19%	0.192	C	C	.	.			trans	-74.9	120.5	178.9	-151.2	0	0	0	0	109.5	E455 T478 A482 V483 N573	E455-S480 WeakPolarHBondContact OE1-CB 3.08Å; E455-S480 PolarHBondContact OE1-OG 3.01Å; T478-S480 VanDerWaalsContact C-N 3.28Å; T478-S480 PolarHBondContact O-N 2.99Å; S480-A482 PolarHBondContact O-N 3Å; S480-V483 PolarHBondContact O-N 2.85Å; S480-V483 VanDerWaalsContact O-N 3.14Å; S480-N573 PolarHBondContact OG-ND2 3.4Å
481	A	42.4	Very low	61.4	Low	92 Å²	92	28.1 Å²	28.1	76%	0.76	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71	21.4	-165.4	0	0	0	0	0	116	A479	A479-A481 PolarHBondContact O-N 2.93Å
482	A	47.9	Very low	59.5	Low	25 Å²	25	32.6 Å²	32.6	21%	0.207	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-143.5	14.2	180	0	0	0	0	0	113	S480 N573	S480-A482 PolarHBondContact O-N 3Å; A482-N573 WeakPolarHBondContact CB-OD1 3.48Å
483	V	51.8	Low	57.9	Low	6 Å²	6	32.8 Å²	32.8	4%	0.036	21%	0.206	C	C	.	.			trans	-97.9	118.7	158.3	-174.5	0	0	0	0	108	S480 L553 T571	S480-V483 PolarHBondContact O-N 2.85Å; S480-V483 VanDerWaalsContact O-N 3.14Å; V483-L553 HydrophobicContact CG1-CD1 4.02Å; V483-L553 HydrophobicContact CG1-CD2 3.73Å; V483-L553 HydrophobicContact CG1-CG 4.44Å; V483-T571 VanDerWaalsContact CA-O 3.28Å; V483-T571 WeakPolarHBondContact CA-O 3.35Å
484	S	55	Low	56.4	Low	28 Å²	28	37.1 Å²	37.1	20%	0.196	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	144.3	-174.5	62.4	0	0	0	0	113.4	T571	S484-T571 PolarHBondContact N-O 3.06Å; S484-T571 PolarHBondContact O-N 2.68Å
485	I	54.2	Low	55.3	Low	2 Å²	2	37.9 Å²	37.9	1%	0.01	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	125.3	170.2	-40	176.9	0	0	0	108.9	Q359 L360 W361 L553 K568 V569 F570	Q359-I485 WeakPolarHBondContact O-CB 3.44Å; L360-I485 WeakPolarHBondContact CA-O 3.46Å; L360-I485 WeakPolarHBondContact CD1-O 3.5Å; L360-I485 VanDerWaalsContact CG-O 3.26Å; L360-I485 WeakPolarHBondContact CG-O 3.41Å; W361-I485 HydrophobicContact CZ2-CD1 3.85Å; I485-L553 HydrophobicContact CD1-CB 4.22Å; I485-L553 HydrophobicContact CG1-CB 4.45Å; I485-L553 HydrophobicContact CG1-CD1 4.31Å; I485-K568 HydrophobicContact CG2-CB 4.44Å; I485-V569 CarbonylContact C-O 3.5Å; I485-V569 WeakPolarHBondContact CA-O 3.13Å; I485-F570 HydrophobicContact CB-CD1 4.36Å; I485-F570 HydrophobicContact CD1-CD1 4.01Å; I485-F570 HydrophobicContact CD1-CE1 3.68Å; I485-F570 HydrophobicContact CG1-CD1 3.76Å; I485-F570 HydrophobicContact CG1-CE1 3.96Å; I485-F570 HydrophobicContact CG2-CD1 3.89Å; I485-F570 HydrophobicContact CG2-CE1 3.83Å; I485-F570 HydrophobicContact CG2-CG 4.42Å; I485-F570 HydrophobicContact CG2-CZ 4.28Å
486	S	53.3	Low	54.3	Low	9 Å²	9	41.9 Å²	41.9	6%	0.063	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	161.8	171.4	64.2	0	0	0	0	112.4	V490 V569	S486-V490 WeakPolarHBondContact CB-O 3.22Å; S486-V490 PolarHBondContact OG-O 2.73Å; S486-V569 PolarHBondContact N-O 2.74Å; S486-V569 PolarHBondContact O-N 2.85Å
487	D	52.5	Low	53.4	Low	39 Å²	39	47.3 Å²	47.3	21%	0.209	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	149.3	164.1	-72.5	-18.6	0	0	0	109.5	S489 V490 K568	D487-S489 PolarHBondContact O-N 2.98Å; D487-V490 PolarHBondContact O-N 3.13Å; D487-K568 IonicContact OD1-NZ 3.9Å; D487-K568 PolarHBondContact OD1-NZ 2.67Å
488	L	55.3	Low	53.1	Low	50 Å²	50	50.7 Å²	50.7	26%	0.262	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-6.9	174	-170.9	62.7	0	0	0	115.1	N491 K524 N567 V569	L488-N491 WeakPolarHBondContact CA-OD1 3.36Å; L488-N491 PolarHBondContact O-ND2 3.04Å; L488-N491 PolarHBondContact O-OD1 2.78Å; L488-K524 HydrophobicContact CD1-CB 4.29Å; L488-K524 HydrophobicContact CD1-CD 3.85Å; L488-N567 HydrophobicContact CB-CB 4.36Å; L488-N567 WeakPolarHBondContact CB-O 3.32Å; L488-N567 HydrophobicContact CD2-CB 4.11Å; L488-N567 PolarHBondContact N-O 3.39Å; L488-V569 HydrophobicContact CB-CG2 4.2Å; L488-V569 HydrophobicContact CD1-CG2 3.68Å
489	S	35.4	Very low	53.5	Low	76 Å²	76	52 Å²	52	53%	0.531	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-1.2	173.2	66.3	0	0	0	0	114.5	D487	D487-S489 PolarHBondContact O-N 2.98Å
490	V	50.6	Low	54.3	Low	83 Å²	83	57.1 Å²	57.1	50%	0.503	32%	0.321	S	S	.	.			trans	-137.2	70.4	-178.4	-169.5	0	0	0	0	109.2	S486 D487	S486-V490 WeakPolarHBondContact CB-O 3.22Å; S486-V490 PolarHBondContact OG-O 2.73Å; D487-V490 PolarHBondContact O-N 3.13Å
491	N	54.6	Low	55.4	Low	24 Å²	24	62 Å²	62	13%	0.128	34%	0.342	C	S	.	.			trans	-97.9	106.4	-176.6	-58.2	-17.6	0	0	0	110.3	L488 L493 D494 V569	L488-N491 WeakPolarHBondContact CA-OD1 3.36Å; L488-N491 PolarHBondContact O-ND2 3.04Å; L488-N491 PolarHBondContact O-OD1 2.78Å; N491-L493 PolarHBondContact O-N 3Å; N491-L493 VanDerWaalsContact O-N 3.15Å; N491-D494 HydrophobicContact CB-CB 3.81Å; N491-D494 WeakPolarHBondContact CB-OD2 3.23Å; N491-D494 PolarHBondContact ND2-OD2 2.74Å; N491-D494 PolarHBondContact O-N 3.14Å; N491-D494 VanDerWaalsContact O-N 3.09Å; N491-V569 WeakPolarHBondContact OD1-CG2 3.35Å
492	M	51.7	Low	56.6	Low	94 Å²	94	59.5 Å²	59.5	46%	0.463	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-14.6	-179.1	-62	-175.4	107.9	0	0	114.1	E498	M492-E498 WeakPolarHBondContact CA-OE2 3.29Å; M492-E498 VanDerWaalsContact CB-OE2 3.31Å; M492-E498 WeakPolarHBondContact CB-OE2 3.27Å; M492-E498 WeakPolarHBondContact CG-OE2 3.46Å; M492-E498 VanDerWaalsContact O-CB 3.3Å; M492-E498 WeakPolarHBondContact O-CB 3.41Å
493	L	56.6	Low	57.7	Low	7 Å²	7	63 Å²	63	4%	0.037	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-8.4	174.8	-65.9	-176.3	0	0	0	114.1	N491 R499 I502 Q522 D635 I637	N491-L493 PolarHBondContact O-N 3Å; N491-L493 VanDerWaalsContact O-N 3.15Å; L493-R499 HydrophobicContact CD2-CG 4.47Å; L493-I502 HydrophobicContact CD2-CD1 3.69Å; L493-Q522 HydrophobicContact CD1-CB 3.6Å; L493-Q522 HydrophobicContact CD1-CG 4.37Å; L493-D635 HydrophobicContact CD1-CB 3.73Å; L493-I637 HydrophobicContact CD1-CD1 4.44Å; L493-I637 HydrophobicContact CD2-CD1 3.82Å
494	D	57.1	Low	58.3	Low	92 Å²	92	69 Å²	69	49%	0.492	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-20.8	175.2	-63.1	9.5	0	0	0	111.2	N491 P496 K524	N491-D494 HydrophobicContact CB-CB 3.81Å; N491-D494 WeakPolarHBondContact CB-OD2 3.23Å; N491-D494 PolarHBondContact ND2-OD2 2.74Å; N491-D494 PolarHBondContact O-N 3.14Å; N491-D494 VanDerWaalsContact O-N 3.09Å; D494-P496 WeakPolarHBondContact O-CD 3.46Å; D494-K524 IonicContact OD1-NZ 3.2Å; D494-K524 PolarHBondContact OD1-NZ 2.79Å; D494-K524 IonicContact OD2-NZ 2.7Å
495	D	58.6	Low	58.8	Low	70 Å²	70	73.7 Å²	73.7	37%	0.374	37%	0.369	S	S	.	.	S	Bend	trans	-75.6	117.9	168.5	-170.3	-46.1	0	0	0	109.7	H497 E498 R499	D495-H497 PolarHBondContact O-N 2.98Å; D495-H497 WeakPolarHBondContact OD1-CB 3.37Å; D495-H497 IonicContact OD1-CD2 3.53Å; D495-H497 PolarHBondContact OD1-N 3.39Å; D495-E498 HydrophobicContact CB-CB 4.34Å; D495-E498 HydrophobicContact CB-CG 4.46Å; D495-E498 PolarHBondContact O-N 3.29Å; D495-R499 PolarHBondContact O-N 2.67Å
496	P	62.9	Low	59.4	Low	84 Å²	84	74.2 Å²	74.2	55%	0.545	37%	0.372	S	S	.	.	H	α-helix	trans	-58.9	-30.5	-178.6	-25	35.4	0	0	0	113.6	D494 H500	D494-P496 WeakPolarHBondContact O-CD 3.46Å; P496-H500 WeakPolarHBondContact O-CB 3.37Å; P496-H500 PolarHBondContact O-N 2.82Å; P496-H500 PolarHBondContact O-ND1 3.25Å
497	H	57.7	Low	60.3	Low	142 Å²	142	75.4 Å²	75.4	66%	0.657	38%	0.38	S	S	*	.	H	α-helix	trans	-78	-36.8	-177.7	-68.4	-71.8	0	0	0	112.7	D495 Q501	D495-H497 PolarHBondContact O-N 2.98Å; D495-H497 WeakPolarHBondContact OD1-CB 3.37Å; D495-H497 IonicContact OD1-CD2 3.53Å; D495-H497 PolarHBondContact OD1-N 3.39Å; H497-Q501 WeakPolarHBondContact O-CG 3.38Å; H497-Q501 PolarHBondContact O-N 3.18Å; H497-Q501 VanDerWaalsContact O-N 3.16Å; H497-Q501 PolarHBondContact O-NE2 3.28Å
498	E	64.8	Low	61	Low	73 Å²	73	79 Å²	79	34%	0.341	40%	0.399	S	S	.	.	H	α-helix	trans	-70.7	-43.4	173.6	-68.7	-170.5	174.2	0	0	110.2	M492 D495 H500 Q501 I502	M492-E498 WeakPolarHBondContact CA-OE2 3.29Å; M492-E498 VanDerWaalsContact CB-OE2 3.31Å; M492-E498 WeakPolarHBondContact CB-OE2 3.27Å; M492-E498 WeakPolarHBondContact CG-OE2 3.46Å; M492-E498 VanDerWaalsContact O-CB 3.3Å; M492-E498 WeakPolarHBondContact O-CB 3.41Å; D495-E498 HydrophobicContact CB-CB 4.34Å; D495-E498 HydrophobicContact CB-CG 4.46Å; D495-E498 PolarHBondContact O-N 3.29Å; E498-H500 PolarHBondContact O-N 3.23Å; E498-Q501 PolarHBondContact O-N 2.91Å; E498-Q501 VanDerWaalsContact O-N 3.16Å; E498-I502 WeakPolarHBondContact O-CG1 3.42Å; E498-I502 PolarHBondContact O-N 2.9Å
499	R	69.4	Low	61.2	Low	69 Å²	69	88.5 Å²	88.5	26%	0.26	43%	0.431	S	S	.	.	H	α-helix	trans	-57.5	-43.8	173.6	-166.8	177.9	-174.1	108.5	1.3	112.4	L493 D495 I502 M503 D635 I637	L493-R499 HydrophobicContact CD2-CG 4.47Å; D495-R499 PolarHBondContact O-N 2.67Å; R499-I502 PolarHBondContact O-N 3.09Å; R499-M503 HydrophobicContact CG-SD 4.24Å; R499-M503 WeakPolarHBondContact O-CG 3.16Å; R499-M503 PolarHBondContact O-N 2.93Å; R499-D635 IonicContact CZ-OD1 2.7Å; R499-D635 IonicContact NH1-OD1 2.72Å; R499-D635 PolarHBondContact NH1-OD1 2.84Å; R499-D635 VanDerWaalsContact NH1-OD1 3.13Å; R499-D635 IonicContact NH1-OD2 2.62Å; R499-D635 IonicContact NH2-OD1 2.75Å; R499-D635 PolarHBondContact NH2-OD1 3.48Å; R499-I637 HydrophobicContact CG-CD1 4.28Å
500	H	65	Low	62.6	Low	114 Å²	114	93.1 Å²	93.1	53%	0.528	44%	0.437	S	S	.	.	H	α-helix	trans	-64.7	-39	176.1	-85	84.9	0	0	0	113.1	P496 E498 M503 Q504	P496-H500 WeakPolarHBondContact O-CB 3.37Å; P496-H500 PolarHBondContact O-N 2.82Å; P496-H500 PolarHBondContact O-ND1 3.25Å; E498-H500 PolarHBondContact O-N 3.23Å; H500-M503 PolarHBondContact O-N 2.89Å; H500-Q504 WeakPolarHBondContact O-CB 3.3Å; H500-Q504 WeakPolarHBondContact O-CG 3.32Å; H500-Q504 PolarHBondContact O-N 3.4Å
501	Q	67.1	Low	63.3	Low	124 Å²	124	89.7 Å²	89.7	58%	0.579	42%	0.417	S	S	*	.	H	α-helix	trans	-64.7	-40.6	175.8	-75.3	168.9	80.3	0	0	111.8	H497 E498 Q504 R505	H497-Q501 WeakPolarHBondContact O-CG 3.38Å; H497-Q501 PolarHBondContact O-N 3.18Å; H497-Q501 VanDerWaalsContact O-N 3.16Å; H497-Q501 PolarHBondContact O-NE2 3.28Å; E498-Q501 PolarHBondContact O-N 2.91Å; E498-Q501 VanDerWaalsContact O-N 3.16Å; Q501-Q504 PolarHBondContact O-N 2.9Å; Q501-R505 PolarHBondContact O-N 3.05Å
502	I	66.8	Low	63.7	Low	39 Å²	39	96 Å²	96	20%	0.2	45%	0.449	C	S	.	.	H	α-helix	trans	-63.5	-45.5	174.8	-68.4	165.8	0	0	0	110.6	L493 E498 R499 Q504 R505 Y506 I637	L493-I502 HydrophobicContact CD2-CD1 3.69Å; E498-I502 WeakPolarHBondContact O-CG1 3.42Å; E498-I502 PolarHBondContact O-N 2.9Å; R499-I502 PolarHBondContact O-N 3.09Å; I502-Q504 VanDerWaalsContact C-N 3.33Å; I502-Q504 PolarHBondContact O-N 2.75Å; I502-R505 WeakPolarHBondContact O-CB 3.5Å; I502-R505 PolarHBondContact O-N 2.63Å; I502-Y506 HydrophobicContact CG2-CD2 3.89Å; I502-Y506 HydrophobicContact CG2-CE2 3.93Å; I502-Y506 VanDerWaalsContact O-CD2 3.27Å; I502-Y506 WeakPolarHBondContact O-CD2 2.93Å; I502-Y506 PolarHBondContact O-N 3.06Å; I502-I637 HydrophobicContact CG2-CD1 4.19Å; I502-I637 HydrophobicContact CG2-CG2 4.17Å
503	M	70.6	Confident	63.9	Low	98 Å²	98	98.5 Å²	98.5	48%	0.483	46%	0.46	S	S	.	.	H	α-helix	trans	-63.8	-35.1	175.4	-71	176.1	67.5	0	0	112.9	R499 H500 S507 I637	R499-M503 HydrophobicContact CG-SD 4.24Å; R499-M503 WeakPolarHBondContact O-CG 3.16Å; R499-M503 PolarHBondContact O-N 2.93Å; H500-M503 PolarHBondContact O-N 2.89Å; M503-S507 PolarHBondContact O-N 2.91Å; M503-I637 HydrophobicContact CG-CG2 4.38Å
504	Q	64.5	Low	64.2	Low	131 Å²	131	102.3 Å²	102.3	61%	0.612	48%	0.48	S	S	*	.	H	α-helix	trans	-69.8	-38.3	173.1	-75	-178.8	3.8	0	0	112.5	H500 Q501 I502 S507	H500-Q504 WeakPolarHBondContact O-CB 3.3Å; H500-Q504 WeakPolarHBondContact O-CG 3.32Å; H500-Q504 PolarHBondContact O-N 3.4Å; Q501-Q504 PolarHBondContact O-N 2.9Å; I502-Q504 VanDerWaalsContact C-N 3.33Å; I502-Q504 PolarHBondContact O-N 2.75Å; Q504-S507 VanDerWaalsContact O-CB 3.29Å; Q504-S507 WeakPolarHBondContact O-CB 3.28Å; Q504-S507 PolarHBondContact O-N 3.19Å; Q504-S507 PolarHBondContact O-OG 3.41Å
505	R	65.6	Low	64.5	Low	127 Å²	127	101.8 Å²	101.8	48%	0.479	48%	0.477	S	S	.	.	H	α-helix	trans	-58.9	-46.1	173.6	172.9	177.1	171.9	159.4	-7.2	111.6	Q501 I502 S507 D517	Q501-R505 PolarHBondContact O-N 3.05Å; I502-R505 WeakPolarHBondContact O-CB 3.5Å; I502-R505 PolarHBondContact O-N 2.63Å; R505-S507 VanDerWaalsContact C-N 3.33Å; R505-D517 IonicContact CZ-OD2 3.53Å; R505-D517 IonicContact NE-OD2 2.71Å; R505-D517 PolarHBondContact NE-OD2 3.39Å; R505-D517 IonicContact NH2-OD1 2.8Å; R505-D517 IonicContact NH2-OD2 2.74Å; R505-D517 PolarHBondContact NH2-OD2 2.82Å
506	Y	68.4	Low	64.8	Low	14 Å²	14	105.7 Å²	105.7	6%	0.055	49%	0.49	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	10.6	179.4	-61.6	-61.8	0	0	0	114.2	I502 D517 V520 I637 N639	I502-Y506 HydrophobicContact CG2-CD2 3.89Å; I502-Y506 HydrophobicContact CG2-CE2 3.93Å; I502-Y506 VanDerWaalsContact O-CD2 3.27Å; I502-Y506 WeakPolarHBondContact O-CD2 2.93Å; I502-Y506 PolarHBondContact O-N 3.06Å; Y506-D517 PolarHBondContact OH-OD1 3.48Å; Y506-V520 HydrophobicContact CE2-CG2 3.84Å; Y506-I637 HydrophobicContact CD2-CG2 4.38Å; Y506-N639 WeakPolarHBondContact O-CB 3.27Å; Y506-N639 PolarHBondContact O-ND2 2.89Å
507	S	70.4	Confident	65.2	Low	34 Å²	34	102.6 Å²	102.6	24%	0.238	47%	0.469	C	S	.	.			trans	-59.6	149.6	-179.8	63.4	0	0	0	0	113.5	M503 Q504 R505 W509 R510 N639	M503-S507 PolarHBondContact O-N 2.91Å; Q504-S507 VanDerWaalsContact O-CB 3.29Å; Q504-S507 WeakPolarHBondContact O-CB 3.28Å; Q504-S507 PolarHBondContact O-N 3.19Å; Q504-S507 PolarHBondContact O-OG 3.41Å; R505-S507 VanDerWaalsContact C-N 3.33Å; S507-W509 PolarHBondContact O-N 3Å; S507-W509 VanDerWaalsContact O-N 3.09Å; S507-R510 PolarHBondContact O-N 2.88Å; S507-N639 PolarHBondContact O-ND2 2.83Å
508	L	68	Low	66.2	Low	115 Å²	115	95.8 Å²	95.8	60%	0.602	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-55.7	-30.7	-178.2	-62.9	175.6	0	0	0	113.1	R510 S511 V641	L508-R510 VanDerWaalsContact C-N 3.27Å; L508-R510 PolarHBondContact O-N 3.21Å; L508-S511 WeakPolarHBondContact CA-OG 3.12Å; L508-S511 WeakPolarHBondContact O-CB 3.33Å; L508-S511 PolarHBondContact O-N 2.88Å; L508-S511 PolarHBondContact O-OG 3.3Å; L508-V641 HydrophobicContact CD2-CG2 3.93Å
509	W	60.1	Low	66.9	Low	249 Å²	249	92.3 Å²	92.3	94%	0.943	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-71.7	-14.4	178.1	-58.3	96.7	0	0	0	114.2	S507	S507-W509 PolarHBondContact O-N 3Å; S507-W509 VanDerWaalsContact O-N 3.09Å
510	R	64.9	Low	67.5	Low	172 Å²	172	89.7 Å²	89.7	65%	0.649	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-107.6	8.4	176.6	-68.3	-170.4	175.3	-139.4	0.4	114	S507 L508 L512 H513	S507-R510 PolarHBondContact O-N 2.88Å; L508-R510 VanDerWaalsContact C-N 3.27Å; L508-R510 PolarHBondContact O-N 3.21Å; R510-L512 PolarHBondContact O-N 2.89Å; R510-H513 WeakPolarHBondContact O-CB 3.34Å; R510-H513 PolarHBondContact O-N 2.83Å
511	S	64.2	Low	68.5	Low	12 Å²	12	84.2 Å²	84.2	8%	0.084	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-28.2	-170.4	-55.3	0	0	0	0	115.6	L508 H513 N639	L508-S511 WeakPolarHBondContact CA-OG 3.12Å; L508-S511 WeakPolarHBondContact O-CB 3.33Å; L508-S511 PolarHBondContact O-N 2.88Å; L508-S511 PolarHBondContact O-OG 3.3Å; S511-H513 VanDerWaalsContact C-N 3.33Å; S511-N639 PolarHBondContact OG-ND2 2.95Å; S511-N639 PolarHBondContact OG-OD1 3.18Å
512	L	62.6	Low	69.4	Low	156 Å²	156	78.4 Å²	78.4	82%	0.817	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-6.1	-179.7	-62.2	177	0	0	0	114.2	R510	R510-L512 PolarHBondContact O-N 2.89Å
513	H	56.4	Low	70.4	Confident	147 Å²	147	76.6 Å²	76.6	68%	0.681	35%	0.351	S	S	*	.	S	Bend	trans	-94	128	-176.6	-166.3	-80.5	0	0	0	112.3	R510 S511 K642	R510-H513 WeakPolarHBondContact O-CB 3.34Å; R510-H513 PolarHBondContact O-N 2.83Å; S511-H513 VanDerWaalsContact C-N 3.33Å; H513-K642 WeakPolarHBondContact O-CE 3.33Å; H513-K642 PolarHBondContact O-NZ 3.14Å
514	N	63	Low	71.3	Confident	87 Å²	87	72.2 Å²	72.2	47%	0.465	33%	0.33	S	S	.	.			trans	48.7	72	-179.5	-174.8	18.2	0	0	0	114.3	K516 D517 K642	N514-K516 PolarHBondContact O-N 3.06Å; N514-D517 WeakPolarHBondContact ND2-CB 3.33Å; N514-D517 PolarHBondContact O-N 3.03Å; N514-D517 VanDerWaalsContact O-N 3.13Å; N514-K642 WeakPolarHBondContact O-CE 3.44Å; N514-K642 PolarHBondContact O-NZ 3.5Å
515	L	64.4	Low	72.5	Confident	80 Å²	80	66 Å²	66	42%	0.419	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-14.2	-171.8	-64.9	180	0	0	0	116.5	D517 K642 L645	L515-D517 VanDerWaalsContact C-N 3.34Å; L515-K642 HydrophobicContact CD2-CG 4.43Å; L515-L645 HydrophobicContact CD1-CD2 3.92Å; L515-L645 HydrophobicContact CD2-CD2 3.96Å
516	K	63.2	Low	73.6	Confident	152 Å²	152	60.8 Å²	60.8	66%	0.661	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-22.6	176.2	-64.7	-175.5	176.5	-175.1	0	114	N514 V518	N514-K516 PolarHBondContact O-N 3.06Å; K516-V518 PolarHBondContact O-N 2.96Å
517	D	71.9	Confident	74.7	Confident	19 Å²	19	63.8 Å²	63.8	10%	0.102	29%	0.293	C	S	.	.			trans	-99.9	76.1	-168.4	175.6	35.1	0	0	0	111.2	R505 Y506 N514 L515 K642	R505-D517 IonicContact CZ-OD2 3.53Å; R505-D517 IonicContact NE-OD2 2.71Å; R505-D517 PolarHBondContact NE-OD2 3.39Å; R505-D517 IonicContact NH2-OD1 2.8Å; R505-D517 IonicContact NH2-OD2 2.74Å; R505-D517 PolarHBondContact NH2-OD2 2.82Å; Y506-D517 PolarHBondContact OH-OD1 3.48Å; N514-D517 WeakPolarHBondContact ND2-CB 3.33Å; N514-D517 PolarHBondContact O-N 3.03Å; N514-D517 VanDerWaalsContact O-N 3.13Å; L515-D517 VanDerWaalsContact C-N 3.34Å; D517-K642 WeakPolarHBondContact O-CD 3.16Å; D517-K642 WeakPolarHBondContact O-CE 3.39Å; D517-K642 PolarHBondContact O-NZ 3.42Å
518	V	79.4	Confident	75.8	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	28%	0.282	C	S	.	.			trans	-75.4	-32.1	-168.4	173.8	0	0	0	0	113	K516 V574 K575 N639 K642 A643 R646	K516-V518 PolarHBondContact O-N 2.96Å; V518-V574 WeakPolarHBondContact CA-O 3.32Å; V518-V574 VanDerWaalsContact CB-O 3.3Å; V518-V574 WeakPolarHBondContact CB-O 3.49Å; V518-V574 PolarHBondContact N-O 2.86Å; V518-K575 WeakPolarHBondContact CG2-O 3.46Å; V518-N639 PolarHBondContact O-N 3.43Å; V518-K642 HydrophobicContact CG2-CG 4.46Å; V518-A643 HydrophobicContact CG1-CB 3.61Å; V518-R646 HydrophobicContact CG2-CB 3.95Å; V518-R646 HydrophobicContact CG2-CG 4.1Å
519	G	78.4	Confident	76.9	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	178.8	-165.3	179.2	0	0	0	0	0	113.8	V574 I637	G519-V574 PolarHBondContact N-O 2.75Å; G519-V574 PolarHBondContact O-N 2.95Å; G519-I637 CarbonylContact C-O 3.54Å; G519-I637 WeakPolarHBondContact CA-O 3.44Å
520	V	81.7	Confident	78.2	Confident	13 Å²	13	50.1 Å²	50.1	8%	0.079	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	142.7	175.9	173.1	0	0	0	0	109	Y506 T571 F572 I637	Y506-V520 HydrophobicContact CE2-CG2 3.84Å; V520-T571 HydrophobicContact CG1-CG2 3.48Å; V520-T571 VanDerWaalsContact CG1-CG2 3.48Å; V520-F572 WeakPolarHBondContact CA-O 3.4Å; V520-I637 PolarHBondContact N-O 3.31Å; V520-I637 PolarHBondContact O-N 2.84Å
521	V	86.2	Confident	79.3	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	137.3	168.1	57.9	0	0	0	0	110	V523 L548 T571 F572 V574 L604 I634 D635 V636	V521-V523 HydrophobicContact CG2-CG2 4.08Å; V521-L548 HydrophobicContact CG1-CD2 3.65Å; V521-T571 WeakPolarHBondContact O-CA 3.48Å; V521-F572 HydrophobicContact CG1-CB 3.85Å; V521-F572 HydrophobicContact CG1-CD2 4.46Å; V521-F572 PolarHBondContact N-O 3.37Å; V521-F572 PolarHBondContact O-N 3.04Å; V521-V574 HydrophobicContact CB-CG2 3.91Å; V521-V574 HydrophobicContact CG1-CG2 3.76Å; V521-L604 HydrophobicContact CB-CD2 4.23Å; V521-L604 HydrophobicContact CG1-CD2 4.18Å; V521-L604 HydrophobicContact CG2-CD2 4.01Å; V521-I634 HydrophobicContact CG2-CG2 3.62Å; V521-D635 CarbonylContact C-O 3.57Å; V521-D635 WeakPolarHBondContact CA-O 3.25Å; V521-V636 HydrophobicContact CB-CG1 4.48Å; V521-V636 HydrophobicContact CB-CG2 4.35Å; V521-V636 HydrophobicContact CG2-CG2 3.85Å
522	Q	85.9	Confident	80.3	Confident	2 Å²	2	45.4 Å²	45.4	1%	0.009	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	123.9	173.4	-177.2	162.8	100.7	0	0	109.8	L493 V569 F570 T571 I634 D635	L493-Q522 HydrophobicContact CD1-CB 3.6Å; L493-Q522 HydrophobicContact CD1-CG 4.37Å; Q522-V569 HydrophobicContact CG-CG1 3.41Å; Q522-V569 VanDerWaalsContact CG-CG1 3.41Å; Q522-F570 CarbonylContact C-O 3.55Å; Q522-F570 VanDerWaalsContact CA-O 3.3Å; Q522-F570 WeakPolarHBondContact CA-O 3.46Å; Q522-T571 PolarHBondContact NE2-OG1 3.45Å; Q522-I634 CarbonylContact O-C 3.57Å; Q522-I634 VanDerWaalsContact O-CA 3.32Å; Q522-I634 WeakPolarHBondContact O-CA 3.17Å; Q522-I634 WeakPolarHBondContact O-CG2 3.34Å; Q522-D635 PolarHBondContact N-O 2.9Å; Q522-D635 PolarHBondContact O-N 3.38Å
523	V	89	Confident	81.3	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	106.5	-175.5	-174.9	0	0	0	0	107.9	V521 V525 V546 F570 F572 L581 I634	V521-V523 HydrophobicContact CG2-CG2 4.08Å; V523-V525 HydrophobicContact CG1-CG2 4.16Å; V523-V546 HydrophobicContact CG1-CG1 4.4Å; V523-F570 HydrophobicContact CB-CB 4.33Å; V523-F570 PolarHBondContact N-O 2.78Å; V523-F570 PolarHBondContact O-N 2.9Å; V523-F572 HydrophobicContact CG2-CD2 4.4Å; V523-F572 HydrophobicContact CG2-CE2 4.28Å; V523-L581 HydrophobicContact CB-CD2 4.44Å; V523-L581 HydrophobicContact CG1-CD2 4.02Å; V523-L581 HydrophobicContact CG2-CD1 3.91Å; V523-L581 HydrophobicContact CG2-CD2 3.5Å; V523-L581 HydrophobicContact CG2-CG 4.36Å; V523-I634 HydrophobicContact CG1-CD1 4.47Å; V523-I634 HydrophobicContact CG1-CG1 4.26Å; V523-I634 HydrophobicContact CG2-CG2 4.03Å
524	K	88.6	Confident	82.3	Confident	6 Å²	6	35.1 Å²	35.1	3%	0.026	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	103.9	174.8	-39.8	-171	-170.6	167.9	0	108	L488 D494 I526 K568 V569 L632 E633	L488-K524 HydrophobicContact CD1-CB 4.29Å; L488-K524 HydrophobicContact CD1-CD 3.85Å; D494-K524 IonicContact OD1-NZ 3.2Å; D494-K524 PolarHBondContact OD1-NZ 2.79Å; D494-K524 IonicContact OD2-NZ 2.7Å; K524-I526 PolarHBondContact O-N 2.78Å; K524-K568 CarbonylContact C-O 3.59Å; K524-K568 WeakPolarHBondContact CA-O 3.18Å; K524-V569 HydrophobicContact CB-CG2 3.91Å; K524-V569 HydrophobicContact CD-CG2 4.13Å; K524-V569 HydrophobicContact CG-CB 4.49Å; K524-V569 HydrophobicContact CG-CG1 4.11Å; K524-V569 HydrophobicContact CG-CG2 3.79Å; K524-L632 WeakPolarHBondContact O-CA 3.3Å; K524-E633 HydrophobicContact CB-CB 4.14Å; K524-E633 WeakPolarHBondContact CB-O 3.49Å; K524-E633 HydrophobicContact CD-CG 4.37Å; K524-E633 VanDerWaalsContact CD-OE1 3.3Å; K524-E633 WeakPolarHBondContact CD-OE1 3.49Å; K524-E633 VanDerWaalsContact CE-OE1 3.26Å; K524-E633 WeakPolarHBondContact CE-OE1 3.18Å; K524-E633 HydrophobicContact CG-CB 4.44Å; K524-E633 PolarHBondContact N-O 3.4Å; K524-E633 IonicContact NZ-OE1 3.53Å; K524-E633 PolarHBondContact NZ-OE1 3.44Å; K524-E633 PolarHBondContact O-N 3.28Å
525	V	89.8	Confident	82.9	Confident	1 Å²	1	32.8 Å²	32.8	1%	0.006	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	105.3	175.4	179.1	0	0	0	0	107.9	V523 C544 V546 T555 W566 N567 K568 F570 I630 L632	V523-V525 HydrophobicContact CG1-CG2 4.16Å; V525-C544 HydrophobicContact CG1-CB 4.44Å; V525-V546 HydrophobicContact CG2-CG2 3.87Å; V525-T555 HydrophobicContact CG1-CG2 4.24Å; V525-W566 HydrophobicContact CG1-CB 4.5Å; V525-W566 HydrophobicContact CG1-CD2 4.37Å; V525-W566 HydrophobicContact CG1-CE3 3.65Å; V525-W566 HydrophobicContact CG1-CZ3 4.24Å; V525-N567 WeakPolarHBondContact O-CA 3.34Å; V525-N567 PolarHBondContact O-N 2.8Å; V525-K568 PolarHBondContact N-O 2.83Å; V525-K568 PolarHBondContact O-N 3.05Å; V525-F570 HydrophobicContact CB-CD2 4.31Å; V525-F570 HydrophobicContact CB-CE2 3.91Å; V525-F570 HydrophobicContact CG2-CD2 3.68Å; V525-F570 HydrophobicContact CG2-CE2 3.55Å; V525-I630 HydrophobicContact CG1-CD1 4.43Å; V525-L632 HydrophobicContact CB-CD2 4.21Å; V525-L632 HydrophobicContact CG1-CD2 4.26Å; V525-L632 HydrophobicContact CG2-CD2 3.84Å
526	I	89.8	Confident	83.2	Confident	18 Å²	18	36.5 Å²	36.5	9%	0.092	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	-68.6	-173	-55.6	174.5	0	0	0	109.1	K524 W566 N567 R612 F631 E633	K524-I526 PolarHBondContact O-N 2.78Å; I526-W566 PolarHBondContact O-N 3.42Å; I526-N567 PolarHBondContact O-N 2.7Å; I526-R612 HydrophobicContact CD1-CG 4Å; I526-F631 HydrophobicContact CB-CB 4.23Å; I526-F631 WeakPolarHBondContact CB-O 3.4Å; I526-F631 PolarHBondContact N-O 3Å; I526-E633 HydrophobicContact CD1-CB 4.3Å
527	R	91.6	Very high	83.5	Confident	76 Å²	76	33.5 Å²	33.5	29%	0.287	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	169.5	-177	69.6	179.9	-175	-115.4	-3.2	112.2	E529 P564 E565 F631	R527-E529 IonicContact CZ-OE1 2.72Å; R527-E529 IonicContact NE-OE1 3.09Å; R527-E529 PolarHBondContact NE-OE1 3.11Å; R527-E529 IonicContact NH2-OE1 3.54Å; R527-E529 PolarHBondContact NH2-OE1 3.28Å; R527-P564 CarbonylContact C-O 3.46Å; R527-P564 WeakPolarHBondContact CA-O 3.12Å; R527-P564 WeakPolarHBondContact CB-O 3.26Å; R527-E565 HydrophobicContact CB-CB 4.13Å; R527-E565 HydrophobicContact CB-CG 3.81Å; R527-E565 VanDerWaalsContact CD-OE1 3.26Å; R527-E565 WeakPolarHBondContact CD-OE1 3.3Å; R527-E565 IonicContact NH1-OE1 3.86Å; R527-F631 HydrophobicContact CG-CB 4.15Å; R527-F631 HydrophobicContact CG-CD2 3.83Å; R527-F631 HydrophobicContact CG-CG 4.19Å; R527-F631 PolarHBondContact O-N 2.72Å
528	A	92.8	Very high	83.6	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	160.1	160.5	0	0	0	0	0	111.1	L531 N563 P564 W566 V629 I630	A528-L531 HydrophobicContact CB-CD1 4.16Å; A528-L531 HydrophobicContact CB-CD2 3.99Å; A528-L531 HydrophobicContact CB-CG 4.12Å; A528-N563 CarbonylContact O-C 3.57Å; A528-N563 VanDerWaalsContact O-C 3.25Å; A528-N563 WeakPolarHBondContact O-CA 3.06Å; A528-P564 HydrophobicContact CB-CG 4Å; A528-P564 PolarHBondContact N-O 3.13Å; A528-P564 WeakPolarHBondContact O-CD 3.39Å; A528-W566 HydrophobicContact CB-CH2 3.86Å; A528-W566 HydrophobicContact CB-CZ3 3.76Å; A528-V629 CarbonylContact C-O 3.59Å; A528-V629 WeakPolarHBondContact CA-O 3.39Å; A528-V629 WeakPolarHBondContact CB-O 3.3Å; A528-I630 HydrophobicContact CB-CB 4.45Å; A528-I630 HydrophobicContact CB-CG1 4.43Å
529	E	91.7	Very high	83.7	Confident	66 Å²	66	39.4 Å²	39.4	31%	0.308	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	145.8	175.6	-67.3	173.1	-159.5	0	0	110.3	R527 L531 N563 G628 V629 F631	R527-E529 IonicContact CZ-OE1 2.72Å; R527-E529 IonicContact NE-OE1 3.09Å; R527-E529 PolarHBondContact NE-OE1 3.11Å; R527-E529 IonicContact NH2-OE1 3.54Å; R527-E529 PolarHBondContact NH2-OE1 3.28Å; E529-L531 PolarHBondContact O-N 3.43Å; E529-N563 VanDerWaalsContact CA-OD1 3.31Å; E529-N563 WeakPolarHBondContact CA-OD1 3.3Å; E529-G628 WeakPolarHBondContact O-CA 3.37Å; E529-V629 HydrophobicContact CB-CG2 3.84Å; E529-V629 PolarHBondContact N-O 3.3Å; E529-V629 PolarHBondContact O-N 3.38Å; E529-F631 HydrophobicContact CB-CE2 4.15Å; E529-F631 HydrophobicContact CG-CD2 4.44Å; E529-F631 HydrophobicContact CG-CE2 3.72Å; E529-F631 VanDerWaalsContact OE1-CE2 3.26Å; E529-F631 WeakPolarHBondContact OE1-CE2 3.41Å; E529-F631 WeakPolarHBondContact OE1-CZ 3.48Å
530	G	86.6	Confident	84	Confident	46 Å²	46	39.4 Å²	39.4	47%	0.474	24%	0.24	S	C	.	.	S	Bend	trans	67.8	28	171.3	0	0	0	0	0	115.4	L562 N563 K627 G628	G530-L562 PolarHBondContact N-O 3.44Å; G530-N563 PolarHBondContact N-OD1 2.94Å; G530-K627 CarbonylContact O-C 3.47Å; G530-G628 WeakPolarHBondContact O-CA 3.26Å; G530-G628 PolarHBondContact O-N 2.99Å
531	L	88.8	Confident	84.2	Confident	8 Å²	8	39.7 Å²	39.7	4%	0.042	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-58.6	152.3	179.1	-65.1	177.9	0	0	0	112.4	A528 E529 P542 L562 P564 V585 L597 L617 K627	A528-L531 HydrophobicContact CB-CD1 4.16Å; A528-L531 HydrophobicContact CB-CD2 3.99Å; A528-L531 HydrophobicContact CB-CG 4.12Å; E529-L531 PolarHBondContact O-N 3.43Å; L531-P542 HydrophobicContact CD1-CB 3.74Å; L531-P542 HydrophobicContact CD1-CG 3.84Å; L531-L562 PolarHBondContact N-O 3.45Å; L531-L562 VanDerWaalsContact N-O 3.15Å; L531-P564 HydrophobicContact CD1-CG 3.73Å; L531-V585 HydrophobicContact CD1-CG1 4.11Å; L531-V585 HydrophobicContact CD2-CG1 4.2Å; L531-L597 HydrophobicContact CD1-CD1 4.49Å; L531-L617 HydrophobicContact CD2-CD1 3.56Å; L531-K627 CarbonylContact C-O 3.57Å; L531-K627 WeakPolarHBondContact CA-O 3.38Å
532	M	84.5	Confident	84.3	Confident	76 Å²	76	39.7 Å²	39.7	37%	0.374	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-59.1	138.8	163.8	-174.2	165.9	72.6	0	0	110.3	S540 L597 K627	M532-S540 PolarHBondContact O-OG 2.67Å; M532-L597 HydrophobicContact CB-CD2 4.42Å; M532-L597 HydrophobicContact CE-CD2 4.27Å; M532-K627 HydrophobicContact CB-CB 4.31Å; M532-K627 PolarHBondContact N-O 3.02Å; M532-K627 VanDerWaalsContact N-O 3.11Å
533	A	83.4	Confident	84.4	Confident	43 Å²	43	40.6 Å²	40.6	36%	0.355	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-87.8	120.9	167.4	0	0	0	0	0	109.3	K539 L562	A533-K539 CarbonylContact C-O 3.55Å; A533-K539 VanDerWaalsContact CA-O 3.3Å; A533-K539 WeakPolarHBondContact CA-O 3.42Å; A533-K539 WeakPolarHBondContact CB-O 3.49Å; A533-L562 HydrophobicContact CB-CD1 4.28Å; A533-L562 HydrophobicContact CB-CD2 3.92Å
534	A	77.6	Confident	84.3	Confident	44 Å²	44	40.6 Å²	40.6	36%	0.364	25%	0.245	S	C	.	.			trans	-102.5	-22.2	172.7	0	0	0	0	0	113.2	K539 S540 D587 L597	A534-K539 PolarHBondContact N-O 3.15Å; A534-S540 PolarHBondContact N-OG 2.82Å; A534-D587 WeakPolarHBondContact CB-OD2 3.28Å; A534-L597 HydrophobicContact CB-CD2 4.07Å
535	D	75.6	Confident	84	Confident	38 Å²	38	40.3 Å²	40.3	20%	0.203	24%	0.244	C	C	.	.	S	Bend	trans	-57.1	141.6	173.7	-84.5	-52.2	0	0	0	111.5	T537 G538 K539 S540	D535-T537 PolarHBondContact O-N 2.83Å; D535-T537 PolarHBondContact OD2-OG1 2.91Å; D535-G538 PolarHBondContact O-N 2.99Å; D535-K539 WeakPolarHBondContact CB-O 3.32Å; D535-K539 PolarHBondContact N-O 2.83Å; D535-K539 VanDerWaalsContact OD2-C 3.31Å; D535-S540 PolarHBondContact OD2-N 3.36Å
536	V	70.9	Confident	83.9	Confident	159 Å²	159	40.3 Å²	40.3	96%	0.964	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-20.8	161.2	-175.5	0	0	0	0	112.1	G538	V536-G538 VanDerWaalsContact C-N 3.34Å
537	T	68.7	Low	83.5	Confident	89 Å²	89	40.7 Å²	40.7	55%	0.546	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	2.1	175.3	78.8	0	0	0	0	115.2	D535	D535-T537 PolarHBondContact O-N 2.83Å; D535-T537 PolarHBondContact OD2-OG1 2.91Å
538	G	74.5	Confident	83	Confident	48 Å²	48	37.1 Å²	37.1	50%	0.495	23%	0.231	S	C	.	.	S	Bend	trans	74.7	28.7	179.2	0	0	0	0	0	113.8	D535 V536	D535-G538 PolarHBondContact O-N 2.99Å; V536-G538 VanDerWaalsContact C-N 3.34Å
539	K	81.2	Confident	82.3	Confident	95 Å²	95	39 Å²	39	41%	0.413	24%	0.244	S	C	.	.			trans	-138.9	-167.9	-179.7	-71.9	-167.5	157.8	-152.8	0	110.1	A533 A534 D535 K560	A533-K539 CarbonylContact C-O 3.55Å; A533-K539 VanDerWaalsContact CA-O 3.3Å; A533-K539 WeakPolarHBondContact CA-O 3.42Å; A533-K539 WeakPolarHBondContact CB-O 3.49Å; A534-K539 PolarHBondContact N-O 3.15Å; D535-K539 WeakPolarHBondContact CB-O 3.32Å; D535-K539 PolarHBondContact N-O 2.83Å; D535-K539 VanDerWaalsContact OD2-C 3.31Å; K539-K560 HydrophobicContact CD-CB 3.81Å; K539-K560 WeakPolarHBondContact CD-O 3.35Å; K539-K560 PolarHBondContact NZ-O 3.17Å
540	S	84.7	Confident	81.2	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	24%	0.239	C	C	.	.			trans	-150.3	157.4	169.6	-75.9	0	0	0	0	108.8	M532 A534 D535 P542 K560 N561 D587	M532-S540 PolarHBondContact O-OG 2.67Å; A534-S540 PolarHBondContact N-OG 2.82Å; D535-S540 PolarHBondContact OD2-N 3.36Å; S540-P542 WeakPolarHBondContact O-CD 3.1Å; S540-K560 CarbonylContact O-C 3.53Å; S540-K560 WeakPolarHBondContact O-CA 3.15Å; S540-K560 PolarHBondContact O-N 3.45Å; S540-K560 VanDerWaalsContact O-N 3.09Å; S540-N561 PolarHBondContact O-N 3.38Å; S540-D587 WeakPolarHBondContact CA-OD2 3.46Å; S540-D587 WeakPolarHBondContact CB-OD1 3.41Å; S540-D587 WeakPolarHBondContact CB-OD2 3.32Å; S540-D587 PolarHBondContact OG-OD2 2.75Å
541	D	85.9	Confident	80.3	Confident	19 Å²	19	35.9 Å²	35.9	10%	0.102	22%	0.219	C	C	.	.			trans	-107	66.1	168.4	-68.7	-19.6	0	0	0	109.2	T557 Y559 K560 D587 E588	D541-T557 HydrophobicContact CB-CG2 4.14Å; D541-T557 WeakPolarHBondContact O-CG2 3.33Å; D541-Y559 HydrophobicContact CB-CD1 3.89Å; D541-Y559 HydrophobicContact CB-CE1 4.43Å; D541-Y559 WeakPolarHBondContact OD1-CA 3.47Å; D541-Y559 WeakPolarHBondContact OD2-CD1 3.36Å; D541-K560 WeakPolarHBondContact OD1-CG 3.22Å; D541-K560 PolarHBondContact OD1-N 2.92Å; D541-D587 WeakPolarHBondContact CA-OD1 3.47Å; D541-D587 PolarHBondContact N-OD1 3.31Å; D541-E588 PolarHBondContact O-N 2.92Å
542	P	88.4	Confident	79.6	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	144.6	-167.3	30.6	-40.3	0	0	0	115.4	L531 S540 V558 N561 P564 W566 V585 Y586 L597	L531-P542 HydrophobicContact CD1-CB 3.74Å; L531-P542 HydrophobicContact CD1-CG 3.84Å; S540-P542 WeakPolarHBondContact O-CD 3.1Å; P542-V558 VanDerWaalsContact CD-O 3.3Å; P542-V558 WeakPolarHBondContact CD-O 3.33Å; P542-V558 PolarHBondContact O-N 3.36Å; P542-N561 WeakPolarHBondContact CD-O 3.3Å; P542-N561 VanDerWaalsContact CG-O 3.28Å; P542-N561 WeakPolarHBondContact CG-O 3.29Å; P542-P564 HydrophobicContact CB-CG 4.24Å; P542-P564 HydrophobicContact CG-CB 3.75Å; P542-P564 HydrophobicContact CG-CG 3.57Å; P542-W566 HydrophobicContact CB-CZ2 4.29Å; P542-V585 HydrophobicContact CB-CG1 4.18Å; P542-Y586 CarbonylContact C-O 3.48Å; P542-Y586 VanDerWaalsContact CA-O 3.26Å; P542-Y586 WeakPolarHBondContact CA-O 3.49Å; P542-L597 HydrophobicContact CB-CD1 3.91Å
543	F	87.8	Confident	79	Confident	21 Å²	21	36.7 Å²	36.7	9%	0.092	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	160.9	165	69.6	-79.1	0	0	0	111.1	V545 V585 Y586 E588 A594	F543-V545 HydrophobicContact CD2-CG2 3.93Å; F543-V545 HydrophobicContact CE2-CG2 3.64Å; F543-V585 WeakPolarHBondContact O-CA 3.39Å; F543-Y586 VanDerWaalsContact CE1-CB 3.49Å; F543-Y586 HydrophobicContact CE2-CD2 4.26Å; F543-Y586 HydrophobicContact CE2-CG 4.47Å; F543-Y586 VanDerWaalsContact CZ-CB 3.47Å; F543-Y586 HydrophobicContact CZ-CD2 4.36Å; F543-Y586 HydrophobicContact CZ-CG 4.13Å; F543-Y586 PolarHBondContact N-O 3.01Å; F543-Y586 PolarHBondContact O-N 3.1Å; F543-E588 HydrophobicContact CD1-CB 3.92Å; F543-E588 HydrophobicContact CE1-CB 3.99Å; F543-A594 HydrophobicContact CE1-CB 3.76Å; F543-A594 HydrophobicContact CZ-CB 3.74Å
544	C	86.9	Confident	78.7	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	131.1	-176.3	177.8	0	0	0	0	110.4	V525 Q554 T555 W566 V583 T584	V525-C544 HydrophobicContact CG1-CB 4.44Å; C544-Q554 CarbonylContact O-C 3.56Å; C544-Q554 VanDerWaalsContact O-CA 3.32Å; C544-Q554 WeakPolarHBondContact O-CA 3.49Å; C544-T555 HydrophobicContact CB-CG2 3.78Å; C544-T555 PolarHBondContact N-OG1 3.46Å; C544-T555 PolarHBondContact O-N 2.89Å; C544-T555 PolarHBondContact O-OG1 2.85Å; C544-W566 HydrophobicContact CB-CD2 4.3Å; C544-W566 HydrophobicContact CB-CE3 4.24Å; C544-W566 HydrophobicContact CB-CH2 3.82Å; C544-W566 HydrophobicContact CB-CZ2 3.89Å; C544-W566 HydrophobicContact CB-CZ3 4.01Å; C544-V583 WeakPolarHBondContact SG-CG1 3.28Å; C544-T584 WeakPolarHBondContact CA-O 3.39Å
545	V	83.8	Confident	78.7	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	130.3	177.2	-179.7	0	0	0	0	108.6	F543 E547 R552 L553 Q554 V583 T584 Y586	F543-V545 HydrophobicContact CD2-CG2 3.93Å; F543-V545 HydrophobicContact CE2-CG2 3.64Å; V545-E547 HydrophobicContact CG1-CG 4.19Å; V545-R552 HydrophobicContact CG1-CG 3.9Å; V545-L553 CarbonylContact C-O 3.59Å; V545-L553 WeakPolarHBondContact CA-O 3.31Å; V545-Q554 HydrophobicContact CG2-CB 4.09Å; V545-V583 WeakPolarHBondContact O-CA 3.44Å; V545-T584 PolarHBondContact N-O 3.21Å; V545-T584 PolarHBondContact O-N 2.84Å; V545-Y586 HydrophobicContact CB-CD2 4.32Å; V545-Y586 HydrophobicContact CB-CE2 4.15Å; V545-Y586 HydrophobicContact CG2-CD2 3.76Å; V545-Y586 HydrophobicContact CG2-CE2 3.9Å
546	V	86.1	Confident	78.6	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	120.7	178.6	-172.8	0	0	0	0	108.4	V523 V525 L553 F570 F572 L581 V583	V523-V546 HydrophobicContact CG1-CG1 4.4Å; V525-V546 HydrophobicContact CG2-CG2 3.87Å; V546-L553 PolarHBondContact N-O 2.85Å; V546-L553 PolarHBondContact O-N 3.39Å; V546-F570 HydrophobicContact CG2-CD2 4.15Å; V546-F570 HydrophobicContact CG2-CE2 4.17Å; V546-F570 HydrophobicContact CG2-CG 4.4Å; V546-F570 HydrophobicContact CG2-CZ 4.42Å; V546-F572 HydrophobicContact CB-CE2 4.31Å; V546-F572 HydrophobicContact CB-CZ 3.91Å; V546-F572 HydrophobicContact CG1-CE2 3.56Å; V546-F572 HydrophobicContact CG1-CZ 3.48Å; V546-F572 VanDerWaalsContact CG1-CZ 3.48Å; V546-L581 HydrophobicContact CG1-CD1 3.68Å; V546-L581 HydrophobicContact CG1-CG 4.34Å; V546-V583 HydrophobicContact CG1-CG2 4.26Å; V546-V583 HydrophobicContact CG2-CG1 4.33Å; V546-V583 HydrophobicContact CG2-CG2 4.49Å
547	E	81.9	Confident	79.1	Confident	26 Å²	26	31.6 Å²	31.6	12%	0.121	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	134.3	-178.7	-75.7	178.3	-150.1	0	0	111.1	V545 D551 R552 E582 K654	V545-E547 HydrophobicContact CG1-CG 4.19Å; E547-D551 WeakPolarHBondContact CA-O 3.05Å; E547-R552 HydrophobicContact CG-CB 3.91Å; E547-R552 HydrophobicContact CG-CG 3.63Å; E547-R552 WeakPolarHBondContact OE1-CD 3.45Å; E547-R552 IonicContact OE1-CZ 3.19Å; E547-R552 IonicContact OE1-NE 2.87Å; E547-R552 PolarHBondContact OE1-NE 2.9Å; E547-R552 IonicContact OE1-NH2 2.68Å; E547-E582 HydrophobicContact CB-CB 4.27Å; E547-E582 PolarHBondContact N-O 3.38Å; E547-E582 PolarHBondContact O-N 2.88Å; E547-K654 IonicContact OE2-NZ 2.78Å; E547-K654 PolarHBondContact OE2-NZ 3.34Å
548	L	82	Confident	79.6	Confident	1 Å²	1	28.6 Å²	28.6	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	112.1	170	-171.9	70.3	0	0	0	109.8	V521 N550 D551 F572 L581 L604	V521-L548 HydrophobicContact CG1-CD2 3.65Å; L548-N550 PolarHBondContact O-N 2.89Å; L548-D551 PolarHBondContact N-O 3.37Å; L548-D551 PolarHBondContact O-N 2.6Å; L548-F572 HydrophobicContact CB-CD1 3.78Å; L548-F572 HydrophobicContact CB-CE1 4.03Å; L548-F572 HydrophobicContact CB-CG 4.21Å; L548-F572 HydrophobicContact CD2-CB 3.7Å; L548-F572 HydrophobicContact CD2-CD1 4.44Å; L548-F572 HydrophobicContact CD2-CG 4.19Å; L548-L581 HydrophobicContact CB-CD1 4.25Å; L548-L581 HydrophobicContact CD1-CB 4.3Å; L548-L581 HydrophobicContact CD1-CD1 4.23Å; L548-L604 HydrophobicContact CD1-CD1 4.13Å; L548-L604 HydrophobicContact CD1-CD2 4.29Å; L548-L604 HydrophobicContact CD1-CG 4.36Å
549	S	76.9	Confident	80	Confident	39 Å²	39	33.6 Å²	33.6	27%	0.273	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	-89.6	-175.2	-45.8	0	0	0	0	112.8	S579 K654	S549-S579 PolarHBondContact OG-OG 3.35Å; S549-K654 WeakPolarHBondContact O-CE 3.24Å
550	N	69.1	Low	80.1	Confident	37 Å²	37	34 Å²	34	20%	0.198	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.2	-5.7	178	-79.5	-55.1	0	0	0	113	L548 Q653 K654 Y655	L548-N550 PolarHBondContact O-N 2.89Å; N550-Q653 PolarHBondContact ND2-O 3Å; N550-K654 WeakPolarHBondContact OD1-CA 3.49Å; N550-Y655 HydrophobicContact CB-CD2 4.12Å; N550-Y655 HydrophobicContact CB-CE2 4.4Å; N550-Y655 VanDerWaalsContact CG-CD2 3.46Å; N550-Y655 WeakPolarHBondContact OD1-CD2 3.01Å; N550-Y655 PolarHBondContact OD1-N 2.82Å
551	D	67.9	Low	80.1	Confident	11 Å²	11	36.6 Å²	36.6	6%	0.059	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	126.3	178.6	-62.8	-33.3	0	0	0	109.1	E547 L548 F572	E547-D551 WeakPolarHBondContact CA-O 3.05Å; L548-D551 PolarHBondContact N-O 3.37Å; L548-D551 PolarHBondContact O-N 2.6Å; D551-F572 HydrophobicContact CB-CD1 3.88Å; D551-F572 HydrophobicContact CB-CE1 4.15Å
552	R	73.3	Confident	80.1	Confident	100 Å²	100	38 Å²	38	38%	0.377	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	117	-172.2	-179.3	171	-162.8	-96.7	-0	110.9	V545 E547	V545-R552 HydrophobicContact CG1-CG 3.9Å; E547-R552 HydrophobicContact CG-CB 3.91Å; E547-R552 HydrophobicContact CG-CG 3.63Å; E547-R552 WeakPolarHBondContact OE1-CD 3.45Å; E547-R552 IonicContact OE1-CZ 3.19Å; E547-R552 IonicContact OE1-NE 2.87Å; E547-R552 PolarHBondContact OE1-NE 2.9Å; E547-R552 IonicContact OE1-NH2 2.68Å
553	L	72.3	Confident	80.1	Confident	1 Å²	1	42.1 Å²	42.1	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	155.9	-177	-44.8	-178.1	0	0	0	109.9	W361 V483 I485 V545 V546 F570 F572	W361-L553 HydrophobicContact CE3-CD2 4.44Å; W361-L553 HydrophobicContact CH2-CD2 3.09Å; W361-L553 HydrophobicContact CH2-CG 4.36Å; W361-L553 HydrophobicContact CZ2-CB 4.48Å; W361-L553 HydrophobicContact CZ2-CD2 3.7Å; W361-L553 HydrophobicContact CZ3-CD2 3.48Å; W361-L553 VanDerWaalsContact CZ3-CD2 3.48Å; V483-L553 HydrophobicContact CG1-CD1 4.02Å; V483-L553 HydrophobicContact CG1-CD2 3.73Å; V483-L553 HydrophobicContact CG1-CG 4.44Å; I485-L553 HydrophobicContact CD1-CB 4.22Å; I485-L553 HydrophobicContact CG1-CB 4.45Å; I485-L553 HydrophobicContact CG1-CD1 4.31Å; V545-L553 CarbonylContact C-O 3.59Å; V545-L553 WeakPolarHBondContact CA-O 3.31Å; V546-L553 PolarHBondContact N-O 2.85Å; V546-L553 PolarHBondContact O-N 3.39Å; L553-F570 HydrophobicContact CB-CD1 3.45Å; L553-F570 VanDerWaalsContact CB-CD1 3.45Å; L553-F570 HydrophobicContact CB-CE1 3.68Å; L553-F570 HydrophobicContact CD1-CB 4.03Å; L553-F570 HydrophobicContact CD1-CD1 3.69Å; L553-F570 HydrophobicContact CD1-CG 4.35Å; L553-F570 HydrophobicContact CG-CD1 4.19Å; L553-F572 HydrophobicContact CB-CZ 4.16Å; L553-F572 HydrophobicContact CD1-CD1 4.05Å; L553-F572 HydrophobicContact CD1-CD2 4.24Å; L553-F572 HydrophobicContact CD1-CE1 3.53Å; L553-F572 HydrophobicContact CD1-CE2 3.72Å; L553-F572 HydrophobicContact CD1-CG 4.38Å; L553-F572 HydrophobicContact CD1-CZ 3.34Å; L553-F572 HydrophobicContact CD2-CE1 4.49Å; L553-F572 HydrophobicContact CG-CD1 4.38Å; L553-F572 HydrophobicContact CG-CE1 3.54Å; L553-F572 HydrophobicContact CG-CE2 4.41Å; L553-F572 HydrophobicContact CG-CZ 3.55Å
554	Q	78.1	Confident	80.1	Confident	80 Å²	80	41.1 Å²	41.1	37%	0.374	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	153.8	178.2	68.1	-177.9	50.3	0	0	113.9	C544 V545	C544-Q554 CarbonylContact O-C 3.56Å; C544-Q554 VanDerWaalsContact O-CA 3.32Å; C544-Q554 WeakPolarHBondContact O-CA 3.49Å; V545-Q554 HydrophobicContact CG2-CB 4.09Å
555	T	77.3	Confident	80.2	Confident	5 Å²	5	45.9 Å²	45.9	3%	0.031	22%	0.218	C	C	.	.			trans	-74.8	-177.6	172	64.8	0	0	0	0	111.4	V525 C544 W566 F570	V525-T555 HydrophobicContact CG1-CG2 4.24Å; C544-T555 HydrophobicContact CB-CG2 3.78Å; C544-T555 PolarHBondContact N-OG1 3.46Å; C544-T555 PolarHBondContact O-N 2.89Å; C544-T555 PolarHBondContact O-OG1 2.85Å; T555-W566 HydrophobicContact CG2-CB 3.92Å; T555-W566 HydrophobicContact CG2-CD2 4.19Å; T555-W566 HydrophobicContact CG2-CG 3.79Å; T555-W566 PolarHBondContact OG1-NE1 2.76Å; T555-F570 HydrophobicContact CG2-CE2 3.9Å; T555-F570 HydrophobicContact CG2-CZ 3.63Å
556	H	71.9	Confident	80.1	Confident	69 Å²	69	46.1 Å²	46.1	32%	0.319	22%	0.219	S	C	.	.			trans	-79.7	159.5	155.9	62.4	-80.5	0	0	0	110.3	W566	H556-W566 PolarHBondContact CE1-O 2.74Å; H556-W566 PolarHBondContact O-NE1 3.48Å; H556-W566 VanDerWaalsContact O-NE1 3.15Å
557	T	81.9	Confident	79.9	Confident	23 Å²	23	48.7 Å²	48.7	14%	0.141	23%	0.233	C	C	.	.			trans	-77.6	140.2	171.6	-41.5	0	0	0	0	111	D541 Y559 E588	D541-T557 HydrophobicContact CB-CG2 4.14Å; D541-T557 WeakPolarHBondContact O-CG2 3.33Å; T557-Y559 HydrophobicContact CG2-CD1 4.34Å; T557-Y559 HydrophobicContact CG2-CE1 3.92Å; T557-E588 VanDerWaalsContact CB-OE2 3.24Å; T557-E588 WeakPolarHBondContact CB-OE2 3.3Å; T557-E588 HydrophobicContact CG2-CB 3.61Å; T557-E588 HydrophobicContact CG2-CG 4.49Å; T557-E588 VanDerWaalsContact CG2-OE2 3.28Å; T557-E588 WeakPolarHBondContact CG2-OE2 3.42Å; T557-E588 PolarHBondContact OG1-OE2 2.96Å
558	V	79.1	Confident	79.7	Confident	26 Å²	26	48.5 Å²	48.5	16%	0.158	23%	0.232	C	C	.	.			trans	-116.1	97	177.8	179.6	0	0	0	0	109.7	P542 K560 N561 P564	P542-V558 VanDerWaalsContact CD-O 3.3Å; P542-V558 WeakPolarHBondContact CD-O 3.33Å; P542-V558 PolarHBondContact O-N 3.36Å; V558-K560 PolarHBondContact O-N 3.2Å; V558-N561 HydrophobicContact CG1-CB 4.09Å; V558-P564 HydrophobicContact CB-CB 3.76Å; V558-P564 HydrophobicContact CG1-CB 3.98Å; V558-P564 HydrophobicContact CG2-CB 4.07Å
559	Y	83.3	Confident	79.6	Confident	152 Å²	152	48.4 Å²	48.4	60%	0.596	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	132.9	-172.2	-57.9	-69.6	0	0	0	114	D541 T557 N561	D541-Y559 HydrophobicContact CB-CD1 3.89Å; D541-Y559 HydrophobicContact CB-CE1 4.43Å; D541-Y559 WeakPolarHBondContact OD1-CA 3.47Å; D541-Y559 WeakPolarHBondContact OD2-CD1 3.36Å; T557-Y559 HydrophobicContact CG2-CD1 4.34Å; T557-Y559 HydrophobicContact CG2-CE1 3.92Å; Y559-N561 PolarHBondContact O-N 2.92Å
560	K	83.2	Confident	79.7	Confident	105 Å²	105	46.6 Å²	46.6	46%	0.457	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.2	45.3	165.6	-60.4	-163.9	174.3	-173.4	0	114	K539 S540 D541 V558	K539-K560 HydrophobicContact CD-CB 3.81Å; K539-K560 WeakPolarHBondContact CD-O 3.35Å; K539-K560 PolarHBondContact NZ-O 3.17Å; S540-K560 CarbonylContact O-C 3.53Å; S540-K560 WeakPolarHBondContact O-CA 3.15Å; S540-K560 PolarHBondContact O-N 3.45Å; S540-K560 VanDerWaalsContact O-N 3.09Å; D541-K560 WeakPolarHBondContact OD1-CG 3.22Å; D541-K560 PolarHBondContact OD1-N 2.92Å; V558-K560 PolarHBondContact O-N 3.2Å
561	N	83.9	Confident	80.1	Confident	53 Å²	53	45.4 Å²	45.4	28%	0.283	21%	0.212	S	C	.	.			trans	-144.3	121.8	-175.2	-172.2	9.5	0	0	0	113.1	S540 P542 V558 Y559 N563	S540-N561 PolarHBondContact O-N 3.38Å; P542-N561 WeakPolarHBondContact CD-O 3.3Å; P542-N561 VanDerWaalsContact CG-O 3.28Å; P542-N561 WeakPolarHBondContact CG-O 3.29Å; V558-N561 HydrophobicContact CG1-CB 4.09Å; Y559-N561 PolarHBondContact O-N 2.92Å; N561-N563 VanDerWaalsContact C-N 3.31Å; N561-N563 PolarHBondContact ND2-O 3.29Å; N561-N563 PolarHBondContact OD1-N 2.64Å; N561-N563 PolarHBondContact OD1-O 2.85Å
562	L	86.4	Confident	80.4	Confident	50 Å²	50	44.9 Å²	44.9	26%	0.262	21%	0.21	S	C	.	.	S	Bend	trans	-83.8	-5.8	174.9	-57.5	178.3	0	0	0	113.5	G530 L531 A533 P564	G530-L562 PolarHBondContact N-O 3.44Å; L531-L562 PolarHBondContact N-O 3.45Å; L531-L562 VanDerWaalsContact N-O 3.15Å; A533-L562 HydrophobicContact CB-CD1 4.28Å; A533-L562 HydrophobicContact CB-CD2 3.92Å; L562-P564 VanDerWaalsContact C-CD 3.44Å
563	N	88.7	Confident	80.5	Confident	85 Å²	85	40.9 Å²	40.9	46%	0.455	20%	0.196	S	C	.	.	S	Bend	trans	-125.1	64	175.2	-53.8	-49.7	0	0	0	110.4	A528 E529 G530 N561	A528-N563 CarbonylContact O-C 3.57Å; A528-N563 VanDerWaalsContact O-C 3.25Å; A528-N563 WeakPolarHBondContact O-CA 3.06Å; E529-N563 VanDerWaalsContact CA-OD1 3.31Å; E529-N563 WeakPolarHBondContact CA-OD1 3.3Å; G530-N563 PolarHBondContact N-OD1 2.94Å; N561-N563 VanDerWaalsContact C-N 3.31Å; N561-N563 PolarHBondContact ND2-O 3.29Å; N561-N563 PolarHBondContact OD1-N 2.64Å; N561-N563 PolarHBondContact OD1-O 2.85Å
564	P	88.3	Confident	80.9	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.196	C	C	.	.			trans	-72.9	131	-173.3	32.2	-38.7	0	0	0	112.4	R527 A528 L531 P542 V558 L562 W566	R527-P564 CarbonylContact C-O 3.46Å; R527-P564 WeakPolarHBondContact CA-O 3.12Å; R527-P564 WeakPolarHBondContact CB-O 3.26Å; A528-P564 HydrophobicContact CB-CG 4Å; A528-P564 PolarHBondContact N-O 3.13Å; A528-P564 WeakPolarHBondContact O-CD 3.39Å; L531-P564 HydrophobicContact CD1-CG 3.73Å; P542-P564 HydrophobicContact CB-CG 4.24Å; P542-P564 HydrophobicContact CG-CB 3.75Å; P542-P564 HydrophobicContact CG-CG 3.57Å; V558-P564 HydrophobicContact CB-CB 3.76Å; V558-P564 HydrophobicContact CG1-CB 3.98Å; V558-P564 HydrophobicContact CG2-CB 4.07Å; L562-P564 VanDerWaalsContact C-CD 3.44Å; P564-W566 HydrophobicContact CB-CD2 4.5Å; P564-W566 HydrophobicContact CB-CH2 4.33Å; P564-W566 HydrophobicContact CB-CZ2 3.87Å; P564-W566 HydrophobicContact CG-CH2 3.54Å; P564-W566 HydrophobicContact CG-CZ2 3.5Å; P564-W566 VanDerWaalsContact CG-CZ2 3.5Å; P564-W566 HydrophobicContact CG-CZ3 4.12Å
565	E	88.3	Confident	80.9	Confident	100 Å²	100	39.9 Å²	39.9	47%	0.467	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	122.7	168	-57.5	-151.7	139.3	0	0	110.4	R527	R527-E565 HydrophobicContact CB-CB 4.13Å; R527-E565 HydrophobicContact CB-CG 3.81Å; R527-E565 VanDerWaalsContact CD-OE1 3.26Å; R527-E565 WeakPolarHBondContact CD-OE1 3.3Å; R527-E565 IonicContact NH1-OE1 3.86Å
566	W	82.6	Confident	81.2	Confident	5 Å²	5	40.1 Å²	40.1	2%	0.019	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	-39	-179.6	-62.5	-68	0	0	0	112.5	V525 I526 A528 P542 C544 T555 H556 P564 K568 V585 I630	V525-W566 HydrophobicContact CG1-CB 4.5Å; V525-W566 HydrophobicContact CG1-CD2 4.37Å; V525-W566 HydrophobicContact CG1-CE3 3.65Å; V525-W566 HydrophobicContact CG1-CZ3 4.24Å; I526-W566 PolarHBondContact O-N 3.42Å; A528-W566 HydrophobicContact CB-CH2 3.86Å; A528-W566 HydrophobicContact CB-CZ3 3.76Å; P542-W566 HydrophobicContact CB-CZ2 4.29Å; C544-W566 HydrophobicContact CB-CD2 4.3Å; C544-W566 HydrophobicContact CB-CE3 4.24Å; C544-W566 HydrophobicContact CB-CH2 3.82Å; C544-W566 HydrophobicContact CB-CZ2 3.89Å; C544-W566 HydrophobicContact CB-CZ3 4.01Å; T555-W566 HydrophobicContact CG2-CB 3.92Å; T555-W566 HydrophobicContact CG2-CD2 4.19Å; T555-W566 HydrophobicContact CG2-CG 3.79Å; T555-W566 PolarHBondContact OG1-NE1 2.76Å; H556-W566 PolarHBondContact CE1-O 2.74Å; H556-W566 PolarHBondContact O-NE1 3.48Å; H556-W566 VanDerWaalsContact O-NE1 3.15Å; P564-W566 HydrophobicContact CB-CD2 4.5Å; P564-W566 HydrophobicContact CB-CH2 4.33Å; P564-W566 HydrophobicContact CB-CZ2 3.87Å; P564-W566 HydrophobicContact CG-CH2 3.54Å; P564-W566 HydrophobicContact CG-CZ2 3.5Å; P564-W566 VanDerWaalsContact CG-CZ2 3.5Å; P564-W566 HydrophobicContact CG-CZ3 4.12Å; W566-K568 VanDerWaalsContact C-N 3.3Å; W566-K568 HydrophobicContact CB-CG 4.47Å; W566-K568 WeakPolarHBondContact O-CG 3.49Å; W566-K568 PolarHBondContact O-N 2.84Å; W566-V585 HydrophobicContact CH2-CG1 4.14Å; W566-V585 HydrophobicContact CH2-CG2 4.4Å; W566-V585 HydrophobicContact CZ2-CG1 4.49Å; W566-I630 HydrophobicContact CZ3-CD1 4.07Å; W566-I630 HydrophobicContact CZ3-CG1 4.42Å
567	N	82.4	Confident	81.9	Confident	54 Å²	54	36.8 Å²	36.8	29%	0.289	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	48.2	46.9	-179.6	-65.1	-63.6	0	0	0	113.6	L488 V525 I526	L488-N567 HydrophobicContact CB-CB 4.36Å; L488-N567 WeakPolarHBondContact CB-O 3.32Å; L488-N567 HydrophobicContact CD2-CB 4.11Å; L488-N567 PolarHBondContact N-O 3.39Å; V525-N567 WeakPolarHBondContact O-CA 3.34Å; V525-N567 PolarHBondContact O-N 2.8Å; I526-N567 PolarHBondContact O-N 2.7Å
568	K	76.4	Confident	82.2	Confident	22 Å²	22	37.1 Å²	37.1	10%	0.096	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	146.8	-179.8	-65.1	-67.2	151.9	166.5	0	111.5	Q359 I485 D487 K524 V525 W566 F570	Q359-K568 VanDerWaalsContact OE1-CE 3.25Å; I485-K568 HydrophobicContact CG2-CB 4.44Å; D487-K568 IonicContact OD1-NZ 3.9Å; D487-K568 PolarHBondContact OD1-NZ 2.67Å; K524-K568 CarbonylContact C-O 3.59Å; K524-K568 WeakPolarHBondContact CA-O 3.18Å; V525-K568 PolarHBondContact N-O 2.83Å; V525-K568 PolarHBondContact O-N 3.05Å; W566-K568 VanDerWaalsContact C-N 3.3Å; W566-K568 HydrophobicContact CB-CG 4.47Å; W566-K568 WeakPolarHBondContact O-CG 3.49Å; W566-K568 PolarHBondContact O-N 2.84Å; K568-F570 HydrophobicContact CB-CD2 4.42Å; K568-F570 HydrophobicContact CB-CE2 3.72Å; K568-F570 HydrophobicContact CB-CZ 4.12Å
569	V	80.8	Confident	82.6	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	117.6	-178.7	177.5	0	0	0	0	109	I485 S486 L488 N491 Q522 K524	I485-V569 CarbonylContact C-O 3.5Å; I485-V569 WeakPolarHBondContact CA-O 3.13Å; S486-V569 PolarHBondContact N-O 2.74Å; S486-V569 PolarHBondContact O-N 2.85Å; L488-V569 HydrophobicContact CB-CG2 4.2Å; L488-V569 HydrophobicContact CD1-CG2 3.68Å; N491-V569 WeakPolarHBondContact OD1-CG2 3.35Å; Q522-V569 HydrophobicContact CG-CG1 3.41Å; Q522-V569 VanDerWaalsContact CG-CG1 3.41Å; K524-V569 HydrophobicContact CB-CG2 3.91Å; K524-V569 HydrophobicContact CD-CG2 4.13Å; K524-V569 HydrophobicContact CG-CB 4.49Å; K524-V569 HydrophobicContact CG-CG1 4.11Å; K524-V569 HydrophobicContact CG-CG2 3.79Å
570	F	78.9	Confident	82.9	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	127.4	-178.3	-62.5	-92.3	0	0	0	108.8	I485 Q522 V523 V525 V546 L553 T555 K568 F572	I485-F570 HydrophobicContact CB-CD1 4.36Å; I485-F570 HydrophobicContact CD1-CD1 4.01Å; I485-F570 HydrophobicContact CD1-CE1 3.68Å; I485-F570 HydrophobicContact CG1-CD1 3.76Å; I485-F570 HydrophobicContact CG1-CE1 3.96Å; I485-F570 HydrophobicContact CG2-CD1 3.89Å; I485-F570 HydrophobicContact CG2-CE1 3.83Å; I485-F570 HydrophobicContact CG2-CG 4.42Å; I485-F570 HydrophobicContact CG2-CZ 4.28Å; Q522-F570 CarbonylContact C-O 3.55Å; Q522-F570 VanDerWaalsContact CA-O 3.3Å; Q522-F570 WeakPolarHBondContact CA-O 3.46Å; V523-F570 HydrophobicContact CB-CB 4.33Å; V523-F570 PolarHBondContact N-O 2.78Å; V523-F570 PolarHBondContact O-N 2.9Å; V525-F570 HydrophobicContact CB-CD2 4.31Å; V525-F570 HydrophobicContact CB-CE2 3.91Å; V525-F570 HydrophobicContact CG2-CD2 3.68Å; V525-F570 HydrophobicContact CG2-CE2 3.55Å; V546-F570 HydrophobicContact CG2-CD2 4.15Å; V546-F570 HydrophobicContact CG2-CE2 4.17Å; V546-F570 HydrophobicContact CG2-CG 4.4Å; V546-F570 HydrophobicContact CG2-CZ 4.42Å; L553-F570 HydrophobicContact CB-CD1 3.45Å; L553-F570 VanDerWaalsContact CB-CD1 3.45Å; L553-F570 HydrophobicContact CB-CE1 3.68Å; L553-F570 HydrophobicContact CD1-CB 4.03Å; L553-F570 HydrophobicContact CD1-CD1 3.69Å; L553-F570 HydrophobicContact CD1-CG 4.35Å; L553-F570 HydrophobicContact CG-CD1 4.19Å; T555-F570 HydrophobicContact CG2-CE2 3.9Å; T555-F570 HydrophobicContact CG2-CZ 3.63Å; K568-F570 HydrophobicContact CB-CD2 4.42Å; K568-F570 HydrophobicContact CB-CE2 3.72Å; K568-F570 HydrophobicContact CB-CZ 4.12Å; F570-F572 HydrophobicContact CB-CD2 4.39Å; F570-F572 HydrophobicContact CB-CE2 3.72Å; F570-F572 HydrophobicContact CB-CZ 4.47Å
571	T	76.1	Confident	83.3	Confident	12 Å²	12	25.8 Å²	25.8	7%	0.074	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	135.3	174.6	-51	0	0	0	0	108.8	V483 S484 V520 V521 Q522	V483-T571 VanDerWaalsContact CA-O 3.28Å; V483-T571 WeakPolarHBondContact CA-O 3.35Å; S484-T571 PolarHBondContact N-O 3.06Å; S484-T571 PolarHBondContact O-N 2.68Å; V520-T571 HydrophobicContact CG1-CG2 3.48Å; V520-T571 VanDerWaalsContact CG1-CG2 3.48Å; V521-T571 WeakPolarHBondContact O-CA 3.48Å; Q522-T571 PolarHBondContact NE2-OG1 3.45Å
572	F	76	Confident	83.6	Confident	0 Å²	0	25 Å²	25	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	152	-179.3	-61.9	-102.7	0	0	0	111.3	V520 V521 V523 V546 L548 D551 L553 F570 L581	V520-F572 WeakPolarHBondContact CA-O 3.4Å; V521-F572 HydrophobicContact CG1-CB 3.85Å; V521-F572 HydrophobicContact CG1-CD2 4.46Å; V521-F572 PolarHBondContact N-O 3.37Å; V521-F572 PolarHBondContact O-N 3.04Å; V523-F572 HydrophobicContact CG2-CD2 4.4Å; V523-F572 HydrophobicContact CG2-CE2 4.28Å; V546-F572 HydrophobicContact CB-CE2 4.31Å; V546-F572 HydrophobicContact CB-CZ 3.91Å; V546-F572 HydrophobicContact CG1-CE2 3.56Å; V546-F572 HydrophobicContact CG1-CZ 3.48Å; V546-F572 VanDerWaalsContact CG1-CZ 3.48Å; L548-F572 HydrophobicContact CB-CD1 3.78Å; L548-F572 HydrophobicContact CB-CE1 4.03Å; L548-F572 HydrophobicContact CB-CG 4.21Å; L548-F572 HydrophobicContact CD2-CB 3.7Å; L548-F572 HydrophobicContact CD2-CD1 4.44Å; L548-F572 HydrophobicContact CD2-CG 4.19Å; D551-F572 HydrophobicContact CB-CD1 3.88Å; D551-F572 HydrophobicContact CB-CE1 4.15Å; L553-F572 HydrophobicContact CB-CZ 4.16Å; L553-F572 HydrophobicContact CD1-CD1 4.05Å; L553-F572 HydrophobicContact CD1-CD2 4.24Å; L553-F572 HydrophobicContact CD1-CE1 3.53Å; L553-F572 HydrophobicContact CD1-CE2 3.72Å; L553-F572 HydrophobicContact CD1-CG 4.38Å; L553-F572 HydrophobicContact CD1-CZ 3.34Å; L553-F572 HydrophobicContact CD2-CE1 4.49Å; L553-F572 HydrophobicContact CG-CD1 4.38Å; L553-F572 HydrophobicContact CG-CE1 3.54Å; L553-F572 HydrophobicContact CG-CE2 4.41Å; L553-F572 HydrophobicContact CG-CZ 3.55Å; F570-F572 HydrophobicContact CB-CD2 4.39Å; F570-F572 HydrophobicContact CB-CE2 3.72Å; F570-F572 HydrophobicContact CB-CZ 4.47Å; F572-L581 HydrophobicContact CE2-CD1 4.43Å
573	N	73.8	Confident	83.8	Confident	17 Å²	17	22.6 Å²	22.6	9%	0.091	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	124.6	167.5	-78.3	-24.5	0	0	0	110.8	S480 A482 K575	S480-N573 PolarHBondContact OG-ND2 3.4Å; A482-N573 WeakPolarHBondContact CB-OD1 3.48Å; N573-K575 PolarHBondContact O-N 2.87Å
574	V	81.2	Confident	83.9	Confident	1 Å²	1	18.7 Å²	18.7	1%	0.006	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	103.1	170.8	-179.2	0	0	0	0	107.8	V518 G519 V521 D576 I577 L604	V518-V574 WeakPolarHBondContact CA-O 3.32Å; V518-V574 VanDerWaalsContact CB-O 3.3Å; V518-V574 WeakPolarHBondContact CB-O 3.49Å; V518-V574 PolarHBondContact N-O 2.86Å; G519-V574 PolarHBondContact N-O 2.75Å; G519-V574 PolarHBondContact O-N 2.95Å; V521-V574 HydrophobicContact CB-CG2 3.91Å; V521-V574 HydrophobicContact CG1-CG2 3.76Å; V574-D576 WeakPolarHBondContact CG1-O 3.39Å; V574-I577 HydrophobicContact CG1-CB 4.49Å; V574-I577 HydrophobicContact CG1-CD1 4.06Å; V574-L604 HydrophobicContact CB-CD1 4.44Å; V574-L604 HydrophobicContact CG1-CD1 3.76Å; V574-L604 HydrophobicContact CG2-CD1 3.85Å
575	K	79.4	Confident	84.1	Confident	58 Å²	58	18.7 Å²	18.7	25%	0.252	9%	0.093	S	C	.	.	S	Bend	trans	-79.9	-23.4	171.5	-53.6	-174.2	-162.3	178	0	113.1	V518 N573 R646 E652	V518-K575 WeakPolarHBondContact CG2-O 3.46Å; N573-K575 PolarHBondContact O-N 2.87Å; K575-R646 WeakPolarHBondContact O-CG 3.44Å; K575-R646 PolarHBondContact O-NE 3Å; K575-R646 VanDerWaalsContact O-NE 3.11Å; K575-E652 VanDerWaalsContact CD-OE1 3.29Å; K575-E652 WeakPolarHBondContact CD-OE1 3.45Å; K575-E652 WeakPolarHBondContact CD-OE2 3.32Å; K575-E652 IonicContact NZ-OE2 3.45Å; K575-E652 PolarHBondContact NZ-OE2 3.34Å
576	D	82.5	Confident	84.2	Confident	10 Å²	10	16.1 Å²	16.1	5%	0.053	8%	0.08	C	C	.	.			trans	-154.1	128	177.7	-163.4	-43.2	0	0	0	109.5	V574 H578 S579 R646 R862	V574-D576 WeakPolarHBondContact CG1-O 3.39Å; D576-H578 PolarHBondContact O-N 3.28Å; D576-H578 WeakPolarHBondContact OD1-CB 3.18Å; D576-H578 IonicContact OD1-CD2 2.72Å; D576-H578 PolarHBondContact OD1-CD2 2.87Å; D576-H578 VanDerWaalsContact OD1-CD2 3.31Å; D576-H578 IonicContact OD1-CG 2.83Å; D576-H578 PolarHBondContact OD1-N 2.9Å; D576-S579 VanDerWaalsContact O-CB 3.25Å; D576-S579 WeakPolarHBondContact O-CB 3.4Å; D576-S579 PolarHBondContact O-N 2.89Å; D576-S579 PolarHBondContact O-OG 3.06Å; D576-R646 HydrophobicContact CB-CG 4.32Å; D576-R862 IonicContact OD1-NE 2.76Å; D576-R862 IonicContact OD2-CZ 2.71Å; D576-R862 IonicContact OD2-NE 3.15Å; D576-R862 PolarHBondContact OD2-NE 2.86Å; D576-R862 IonicContact OD2-NH2 2.69Å; D576-R862 PolarHBondContact OD2-NH2 3.2Å
577	I	87.7	Confident	84.4	Confident	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-14.2	-177.4	-159.6	61.2	0	0	0	113.1	V574 L604 L605 V636 F638 A643 F808	V574-I577 HydrophobicContact CG1-CB 4.49Å; V574-I577 HydrophobicContact CG1-CD1 4.06Å; I577-L604 HydrophobicContact CD1-CB 4.02Å; I577-L604 HydrophobicContact CD1-CD1 4.3Å; I577-L605 HydrophobicContact CG1-CD2 3.61Å; I577-L605 HydrophobicContact CG1-CG 4.05Å; I577-L605 HydrophobicContact CG2-CD2 4.24Å; I577-V636 HydrophobicContact CD1-CG1 3.87Å; I577-F638 HydrophobicContact CB-CD2 4.46Å; I577-F638 HydrophobicContact CD1-CB 3.98Å; I577-F638 HydrophobicContact CD1-CD1 3.62Å; I577-F638 HydrophobicContact CD1-CD2 4.01Å; I577-F638 HydrophobicContact CD1-CE1 4.04Å; I577-F638 HydrophobicContact CD1-CE2 4.39Å; I577-F638 HydrophobicContact CD1-CG 3.6Å; I577-F638 HydrophobicContact CD1-CZ 4.4Å; I577-F638 HydrophobicContact CG1-CD1 4.24Å; I577-F638 HydrophobicContact CG1-CD2 3.92Å; I577-F638 HydrophobicContact CG1-CE1 4.29Å; I577-F638 HydrophobicContact CG1-CE2 3.98Å; I577-F638 HydrophobicContact CG1-CG 4.05Å; I577-F638 HydrophobicContact CG1-CZ 4.16Å; I577-A643 HydrophobicContact CB-CB 4.21Å; I577-A643 HydrophobicContact CG2-CB 3.73Å; I577-F808 HydrophobicContact CG2-CE1 4.47Å
578	H	86.9	Confident	84.5	Confident	30 Å²	30	17.4 Å²	17.4	14%	0.139	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	0.3	174.5	-60.4	-74.1	0	0	0	112.9	D576 L605 T647 F808 L809 R862	D576-H578 PolarHBondContact O-N 3.28Å; D576-H578 WeakPolarHBondContact OD1-CB 3.18Å; D576-H578 IonicContact OD1-CD2 2.72Å; D576-H578 PolarHBondContact OD1-CD2 2.87Å; D576-H578 VanDerWaalsContact OD1-CD2 3.31Å; D576-H578 IonicContact OD1-CG 2.83Å; D576-H578 PolarHBondContact OD1-N 2.9Å; H578-L605 VanDerWaalsContact CE1-CD1 3.48Å; H578-L605 WeakPolarHBondContact CE1-CD1 3.14Å; H578-T647 VanDerWaalsContact CD2-CG2 3.49Å; H578-T647 WeakPolarHBondContact CD2-CG2 3.5Å; H578-T647 VanDerWaalsContact NE2-CG2 3.31Å; H578-T647 WeakPolarHBondContact NE2-CG2 3.44Å; H578-F808 AromaticContact CE1-CD1 3.62Å; H578-F808 AromaticContact NE2-CD1 3.6Å; H578-F808 AromaticContact NE2-CE1 3.62Å; H578-L809 WeakPolarHBondContact CE1-CD2 3.19Å; H578-L809 VanDerWaalsContact CE1-CG 3.42Å; H578-L809 WeakPolarHBondContact CE1-CG 3.12Å; H578-R862 HydrophobicContact CB-CB 3.86Å; H578-R862 HydrophobicContact CB-CG 4.01Å
579	S	87.1	Confident	84.7	Confident	17 Å²	17	19.2 Å²	19.2	12%	0.119	10%	0.095	C	C	.	.			trans	-62.4	151	170	-53.7	0	0	0	0	111.2	S549 D576 L604	S549-S579 PolarHBondContact OG-OG 3.35Å; D576-S579 VanDerWaalsContact O-CB 3.25Å; D576-S579 WeakPolarHBondContact O-CB 3.4Å; D576-S579 PolarHBondContact O-N 2.89Å; D576-S579 PolarHBondContact O-OG 3.06Å; S579-L604 WeakPolarHBondContact O-CG 3.13Å; S579-L604 PolarHBondContact O-N 2.82Å
580	V	90.1	Very high	83.9	Confident	27 Å²	27	30.3 Å²	30.3	16%	0.164	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	129.9	175.4	-178	0	0	0	0	107.9	A601 P603 Y872	V580-A601 HydrophobicContact CG1-CB 3.82Å; V580-P603 HydrophobicContact CG2-CB 4.41Å; V580-P603 HydrophobicContact CG2-CG 4.3Å; V580-Y872 HydrophobicContact CG1-CD1 4.14Å; V580-Y872 HydrophobicContact CG1-CE1 3.89Å; V580-Y872 HydrophobicContact CG2-CE1 4.09Å; V580-Y872 HydrophobicContact CG2-CE2 3.91Å
581	L	90.8	Very high	82.9	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	117	171.5	-177.5	75.9	0	0	0	108	V523 V546 L548 F572 V583 A601 I602 L604 I634	V523-L581 HydrophobicContact CB-CD2 4.44Å; V523-L581 HydrophobicContact CG1-CD2 4.02Å; V523-L581 HydrophobicContact CG2-CD1 3.91Å; V523-L581 HydrophobicContact CG2-CD2 3.5Å; V523-L581 HydrophobicContact CG2-CG 4.36Å; V546-L581 HydrophobicContact CG1-CD1 3.68Å; V546-L581 HydrophobicContact CG1-CG 4.34Å; L548-L581 HydrophobicContact CB-CD1 4.25Å; L548-L581 HydrophobicContact CD1-CB 4.3Å; L548-L581 HydrophobicContact CD1-CD1 4.23Å; F572-L581 HydrophobicContact CE2-CD1 4.43Å; L581-V583 HydrophobicContact CD2-CG2 4.24Å; L581-V583 HydrophobicContact CG-CG2 4.24Å; L581-A601 WeakPolarHBondContact O-CA 3.46Å; L581-I602 HydrophobicContact CB-CB 4.49Å; L581-I602 WeakPolarHBondContact CB-O 3.49Å; L581-I602 PolarHBondContact N-O 2.7Å; L581-I602 PolarHBondContact O-N 3.2Å; L581-L604 HydrophobicContact CB-CD2 4.35Å; L581-I634 HydrophobicContact CD2-CD1 3.88Å
582	E	91	Very high	82.4	Confident	37 Å²	37	45 Å²	45	17%	0.173	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	129.6	175.5	-55.3	-158.9	114.7	0	0	109.4	E547 K599 K654	E547-E582 HydrophobicContact CB-CB 4.27Å; E547-E582 PolarHBondContact N-O 3.38Å; E547-E582 PolarHBondContact O-N 2.88Å; E582-K599 WeakPolarHBondContact OE1-CE 3.4Å; E582-K599 IonicContact OE1-NZ 3.7Å; E582-K599 PolarHBondContact OE1-NZ 3.41Å; E582-K599 IonicContact OE2-NZ 2.73Å; E582-K599 PolarHBondContact OE2-NZ 2.98Å; E582-K654 IonicContact OE2-NZ 2.7Å
583	V	91.8	Very high	82.1	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	118.8	176.7	-174.1	0	0	0	0	107.9	C544 V545 V546 L581 K599 V600 I630 L632	C544-V583 WeakPolarHBondContact SG-CG1 3.28Å; V545-V583 WeakPolarHBondContact O-CA 3.44Å; V546-V583 HydrophobicContact CG1-CG2 4.26Å; V546-V583 HydrophobicContact CG2-CG1 4.33Å; V546-V583 HydrophobicContact CG2-CG2 4.49Å; L581-V583 HydrophobicContact CD2-CG2 4.24Å; L581-V583 HydrophobicContact CG-CG2 4.24Å; V583-K599 CarbonylContact O-C 3.56Å; V583-K599 WeakPolarHBondContact O-CA 3.26Å; V583-V600 HydrophobicContact CB-CG1 3.81Å; V583-V600 PolarHBondContact N-O 2.79Å; V583-V600 PolarHBondContact O-N 3.06Å; V583-I630 HydrophobicContact CG1-CD1 3.82Å; V583-L632 HydrophobicContact CG2-CD1 4.07Å
584	T	90.6	Very high	82.4	Confident	2 Å²	2	50.4 Å²	50.4	1%	0.012	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	132.1	-174.1	-43.1	0	0	0	0	109.9	C544 V545 Y586 F596 G598 K599	C544-T584 WeakPolarHBondContact CA-O 3.39Å; V545-T584 PolarHBondContact N-O 3.21Å; V545-T584 PolarHBondContact O-N 2.84Å; T584-Y586 HydrophobicContact CG2-CD2 3.98Å; T584-Y586 HydrophobicContact CG2-CE1 4.24Å; T584-Y586 HydrophobicContact CG2-CE2 3.39Å; T584-F596 HydrophobicContact CG2-CD2 3.98Å; T584-F596 HydrophobicContact CG2-CE2 3.65Å; T584-G598 WeakPolarHBondContact CA-O 3.25Å; T584-K599 HydrophobicContact CG2-CB 4.2Å; T584-K599 HydrophobicContact CG2-CG 4.25Å
585	V	91.7	Very high	82.5	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	131.7	175	-170.6	0	0	0	0	108.6	L531 P542 F543 W566 L597 G598 L617 I630	L531-V585 HydrophobicContact CD1-CG1 4.11Å; L531-V585 HydrophobicContact CD2-CG1 4.2Å; P542-V585 HydrophobicContact CB-CG1 4.18Å; F543-V585 WeakPolarHBondContact O-CA 3.39Å; W566-V585 HydrophobicContact CH2-CG1 4.14Å; W566-V585 HydrophobicContact CH2-CG2 4.4Å; W566-V585 HydrophobicContact CZ2-CG1 4.49Å; V585-L597 HydrophobicContact CB-CB 4.3Å; V585-L597 HydrophobicContact CG1-CB 4.14Å; V585-L597 HydrophobicContact CG1-CD1 4.21Å; V585-L597 PolarHBondContact O-N 2.91Å; V585-G598 PolarHBondContact N-O 2.87Å; V585-G598 PolarHBondContact O-N 3.09Å; V585-L617 HydrophobicContact CB-CD1 4.5Å; V585-L617 HydrophobicContact CG2-CD1 4.18Å; V585-L617 HydrophobicContact CG2-CD2 4.18Å; V585-I630 HydrophobicContact CG2-CD1 4.02Å
586	Y	89.6	Confident	82.9	Confident	47 Å²	47	52.7 Å²	52.7	18%	0.184	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	160.3	-177.9	-69.4	-83.6	0	0	0	110.3	P542 F543 V545 T584 A594 D595 F596	P542-Y586 CarbonylContact C-O 3.48Å; P542-Y586 VanDerWaalsContact CA-O 3.26Å; P542-Y586 WeakPolarHBondContact CA-O 3.49Å; F543-Y586 VanDerWaalsContact CE1-CB 3.49Å; F543-Y586 HydrophobicContact CE2-CD2 4.26Å; F543-Y586 HydrophobicContact CE2-CG 4.47Å; F543-Y586 VanDerWaalsContact CZ-CB 3.47Å; F543-Y586 HydrophobicContact CZ-CD2 4.36Å; F543-Y586 HydrophobicContact CZ-CG 4.13Å; F543-Y586 PolarHBondContact N-O 3.01Å; F543-Y586 PolarHBondContact O-N 3.1Å; V545-Y586 HydrophobicContact CB-CD2 4.32Å; V545-Y586 HydrophobicContact CB-CE2 4.15Å; V545-Y586 HydrophobicContact CG2-CD2 3.76Å; V545-Y586 HydrophobicContact CG2-CE2 3.9Å; T584-Y586 HydrophobicContact CG2-CD2 3.98Å; T584-Y586 HydrophobicContact CG2-CE1 4.24Å; T584-Y586 HydrophobicContact CG2-CE2 3.39Å; Y586-A594 HydrophobicContact CD1-CB 4.48Å; Y586-D595 CarbonylContact C-O 3.45Å; Y586-D595 VanDerWaalsContact CA-O 3.29Å; Y586-D595 WeakPolarHBondContact CA-O 3.42Å; Y586-F596 HydrophobicContact CE1-CD2 4.29Å
587	D	88.3	Confident	83.1	Confident	5 Å²	5	52.2 Å²	52.2	3%	0.027	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	130.2	175.3	-143.1	-21.4	0	0	0	110.7	A534 S540 D541 D589 A594 D595 L597	A534-D587 WeakPolarHBondContact CB-OD2 3.28Å; S540-D587 WeakPolarHBondContact CA-OD2 3.46Å; S540-D587 WeakPolarHBondContact CB-OD1 3.41Å; S540-D587 WeakPolarHBondContact CB-OD2 3.32Å; S540-D587 PolarHBondContact OG-OD2 2.75Å; D541-D587 WeakPolarHBondContact CA-OD1 3.47Å; D541-D587 PolarHBondContact N-OD1 3.31Å; D587-D589 PolarHBondContact O-N 3.2Å; D587-A594 CarbonylContact O-C 3.5Å; D587-A594 WeakPolarHBondContact O-CA 3.29Å; D587-A594 WeakPolarHBondContact O-CB 3.45Å; D587-D595 HydrophobicContact CB-CB 4.44Å; D587-D595 PolarHBondContact N-O 3.46Å; D587-D595 PolarHBondContact O-N 2.94Å; D587-L597 HydrophobicContact CB-CD1 3.93Å; D587-L597 HydrophobicContact CB-CD2 4.2Å; D587-L597 HydrophobicContact CB-CG 4.05Å
588	E	84.7	Confident	83.2	Confident	80 Å²	80	52.2 Å²	52.2	37%	0.374	26%	0.255	S	S	.	.			trans	-88.8	80.3	-177.9	-164.9	179.6	-152.7	0	0	112.9	D541 F543 T557 R590	D541-E588 PolarHBondContact O-N 2.92Å; F543-E588 HydrophobicContact CD1-CB 3.92Å; F543-E588 HydrophobicContact CE1-CB 3.99Å; T557-E588 VanDerWaalsContact CB-OE2 3.24Å; T557-E588 WeakPolarHBondContact CB-OE2 3.3Å; T557-E588 HydrophobicContact CG2-CB 3.61Å; T557-E588 HydrophobicContact CG2-CG 4.49Å; T557-E588 VanDerWaalsContact CG2-OE2 3.28Å; T557-E588 WeakPolarHBondContact CG2-OE2 3.42Å; T557-E588 PolarHBondContact OG1-OE2 2.96Å; E588-R590 PolarHBondContact O-N 3.33Å
589	D	79.5	Confident	83.4	Confident	60 Å²	60	52.4 Å²	52.4	32%	0.321	26%	0.255	S	S	.	.			trans	-61	129.7	167.3	-98.4	-36.9	0	0	0	111.9	D587 D591 R592	D587-D589 PolarHBondContact O-N 3.2Å; D589-D591 VanDerWaalsContact C-N 3.32Å; D589-D591 PolarHBondContact O-N 2.73Å; D589-R592 HydrophobicContact CB-CB 3.43Å; D589-R592 VanDerWaalsContact CB-CB 3.43Å; D589-R592 WeakPolarHBondContact OD2-CB 3.18Å; D589-R592 WeakPolarHBondContact OD2-CD 3.3Å
590	R	64.2	Low	83.6	Confident	234 Å²	234	52.1 Å²	52.1	88%	0.883	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-31.6	178.4	-80.5	-175.3	166.4	-162.4	-5.7	115	E588	E588-R590 PolarHBondContact O-N 3.33Å
591	D	57.7	Low	83.7	Confident	165 Å²	165	51.1 Å²	51.1	88%	0.882	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-125.9	16.5	-169.5	-64.8	-72.9	0	0	0	112.2	D589	D589-D591 VanDerWaalsContact C-N 3.32Å; D589-D591 PolarHBondContact O-N 2.73Å
592	R	65.6	Low	83.7	Confident	154 Å²	154	51.2 Å²	51.2	58%	0.581	25%	0.248	S	C	*	.	S	Bend	trans	-139.5	168.5	-174.6	-141.9	-173.9	-175.4	-159.9	-6.4	112.3	D589 D595	D589-R592 HydrophobicContact CB-CB 3.43Å; D589-R592 VanDerWaalsContact CB-CB 3.43Å; D589-R592 WeakPolarHBondContact OD2-CB 3.18Å; D589-R592 WeakPolarHBondContact OD2-CD 3.3Å; R592-D595 IonicContact CZ-OD1 2.61Å; R592-D595 IonicContact CZ-OD2 3.77Å; R592-D595 IonicContact NH1-OD1 3.12Å; R592-D595 PolarHBondContact NH1-OD1 2.79Å; R592-D595 VanDerWaalsContact NH1-OD1 3.16Å; R592-D595 IonicContact NH1-OD2 3.16Å; R592-D595 PolarHBondContact NH1-OD2 2.66Å
593	S	70.4	Confident	83.6	Confident	93 Å²	93	50.4 Å²	50.4	65%	0.65	25%	0.246	S	C	*	.	S	Bend	trans	-67.2	131.1	159.3	52.8	0	0	0	0	109.5	D595	S593-D595 PolarHBondContact O-N 3.5Å
594	A	79.1	Confident	83.5	Confident	39 Å²	39	50.6 Å²	50.6	32%	0.322	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-50.7	122.6	-178.6	0	0	0	0	0	113.3	F543 Y586 D587	F543-A594 HydrophobicContact CE1-CB 3.76Å; F543-A594 HydrophobicContact CZ-CB 3.74Å; Y586-A594 HydrophobicContact CD1-CB 4.48Å; D587-A594 CarbonylContact O-C 3.5Å; D587-A594 WeakPolarHBondContact O-CA 3.29Å; D587-A594 WeakPolarHBondContact O-CB 3.45Å
595	D	84.4	Confident	83.3	Confident	53 Å²	53	52.9 Å²	52.9	28%	0.283	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	152.5	-177.5	-95.2	5.7	0	0	0	111.3	Y586 D587 R592 S593	Y586-D595 CarbonylContact C-O 3.45Å; Y586-D595 VanDerWaalsContact CA-O 3.29Å; Y586-D595 WeakPolarHBondContact CA-O 3.42Å; D587-D595 HydrophobicContact CB-CB 4.44Å; D587-D595 PolarHBondContact N-O 3.46Å; D587-D595 PolarHBondContact O-N 2.94Å; R592-D595 IonicContact CZ-OD1 2.61Å; R592-D595 IonicContact CZ-OD2 3.77Å; R592-D595 IonicContact NH1-OD1 3.12Å; R592-D595 PolarHBondContact NH1-OD1 2.79Å; R592-D595 VanDerWaalsContact NH1-OD1 3.16Å; R592-D595 IonicContact NH1-OD2 3.16Å; R592-D595 PolarHBondContact NH1-OD2 2.66Å; S593-D595 PolarHBondContact O-N 3.5Å
596	F	87.6	Confident	83	Confident	54 Å²	54	57.1 Å²	57.1	24%	0.237	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	122.8	-171.7	177	-89.7	0	0	0	112	T584 Y586 G598 K599 K620	T584-F596 HydrophobicContact CG2-CD2 3.98Å; T584-F596 HydrophobicContact CG2-CE2 3.65Å; Y586-F596 HydrophobicContact CE1-CD2 4.29Å; F596-G598 VanDerWaalsContact CE1-CA 3.49Å; F596-G598 VanDerWaalsContact CZ-C 3.44Å; F596-G598 VanDerWaalsContact CZ-CA 3.49Å; F596-K599 HydrophobicContact CE2-CB 3.9Å; F596-K599 HydrophobicContact CZ-CB 3.76Å; F596-K620 HydrophobicContact CD2-CB 4.47Å; F596-K620 HydrophobicContact CD2-CG 4.31Å; F596-K620 HydrophobicContact CE1-CB 4.14Å; F596-K620 HydrophobicContact CE2-CB 4.06Å; F596-K620 HydrophobicContact CE2-CG 4.04Å; F596-K620 VanDerWaalsContact CZ-CA 3.41Å; F596-K620 HydrophobicContact CZ-CB 3.89Å; F596-K620 HydrophobicContact CZ-CG 4.37Å
597	L	86	Confident	82.8	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	-23.4	178.6	-59.7	-179.1	0	0	0	113.6	L531 M532 A534 P542 V585 D587 T626	L531-L597 HydrophobicContact CD1-CD1 4.49Å; M532-L597 HydrophobicContact CB-CD2 4.42Å; M532-L597 HydrophobicContact CE-CD2 4.27Å; A534-L597 HydrophobicContact CB-CD2 4.07Å; P542-L597 HydrophobicContact CB-CD1 3.91Å; V585-L597 HydrophobicContact CB-CB 4.3Å; V585-L597 HydrophobicContact CG1-CB 4.14Å; V585-L597 HydrophobicContact CG1-CD1 4.21Å; V585-L597 PolarHBondContact O-N 2.91Å; D587-L597 HydrophobicContact CB-CD1 3.93Å; D587-L597 HydrophobicContact CB-CD2 4.2Å; D587-L597 HydrophobicContact CB-CG 4.05Å; L597-T626 VanDerWaalsContact O-CG2 3.29Å; L597-T626 WeakPolarHBondContact O-CG2 3.39Å
598	G	89.3	Confident	82.5	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	158.7	159.2	172.5	0	0	0	0	0	114.5	T584 V585 F596	T584-G598 WeakPolarHBondContact CA-O 3.25Å; V585-G598 PolarHBondContact N-O 2.87Å; V585-G598 PolarHBondContact O-N 3.09Å; F596-G598 VanDerWaalsContact CE1-CA 3.49Å; F596-G598 VanDerWaalsContact CZ-C 3.44Å; F596-G598 VanDerWaalsContact CZ-CA 3.49Å
599	K	91.6	Very high	82.5	Confident	33 Å²	33	61.4 Å²	61.4	14%	0.143	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	148.7	179.4	-165.8	173.7	-176.3	-177	0	112.3	E582 V583 T584 F596 K618 L622	E582-K599 WeakPolarHBondContact OE1-CE 3.4Å; E582-K599 IonicContact OE1-NZ 3.7Å; E582-K599 PolarHBondContact OE1-NZ 3.41Å; E582-K599 IonicContact OE2-NZ 2.73Å; E582-K599 PolarHBondContact OE2-NZ 2.98Å; V583-K599 CarbonylContact O-C 3.56Å; V583-K599 WeakPolarHBondContact O-CA 3.26Å; T584-K599 HydrophobicContact CG2-CB 4.2Å; T584-K599 HydrophobicContact CG2-CG 4.25Å; F596-K599 HydrophobicContact CE2-CB 3.9Å; F596-K599 HydrophobicContact CZ-CB 3.76Å; K599-K618 PolarHBondContact N-O 3.33Å; K599-K618 WeakPolarHBondContact O-CA 3.44Å; K599-K618 WeakPolarHBondContact O-CB 3.16Å; K599-K618 PolarHBondContact O-N 2.87Å; K599-L622 HydrophobicContact CB-CD2 3.9Å; K599-L622 HydrophobicContact CD-CD2 4.14Å; K599-L622 HydrophobicContact CD-CG 4.41Å; K599-L622 HydrophobicContact CG-CD2 3.87Å
600	V	92.1	Very high	82.4	Confident	11 Å²	11	60.5 Å²	60.5	7%	0.067	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	146.3	164.2	63	0	0	0	0	110	V583 I602 Y615 I630	V583-V600 HydrophobicContact CB-CG1 3.81Å; V583-V600 PolarHBondContact N-O 2.79Å; V583-V600 PolarHBondContact O-N 3.06Å; V600-I602 HydrophobicContact CG1-CD1 4.43Å; V600-I602 HydrophobicContact CG2-CD1 4.4Å; V600-I602 HydrophobicContact CG2-CG1 3.96Å; V600-Y615 HydrophobicContact CG2-CD1 4.15Å; V600-Y615 HydrophobicContact CG2-CG 4.43Å; V600-I630 HydrophobicContact CG1-CG2 4.11Å
601	A	91.2	Very high	83.5	Confident	6 Å²	6	53.2 Å²	53.2	5%	0.05	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	121.5	179	0	0	0	0	0	109.7	V580 L581 L622 Y872	V580-A601 HydrophobicContact CG1-CB 3.82Å; L581-A601 WeakPolarHBondContact O-CA 3.46Å; A601-L622 HydrophobicContact CB-CD1 3.57Å; A601-L622 HydrophobicContact CB-CD2 4.25Å; A601-Y872 HydrophobicContact CB-CD1 3.8Å; A601-Y872 HydrophobicContact CB-CE1 4.01Å
602	I	90.6	Very high	84.9	Confident	2 Å²	2	53.1 Å²	53.1	1%	0.01	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	105.8	-169.3	-52.1	173.8	0	0	0	109.2	L581 V600 L604 I607 Y615 L632 I634	L581-I602 HydrophobicContact CB-CB 4.49Å; L581-I602 WeakPolarHBondContact CB-O 3.49Å; L581-I602 PolarHBondContact N-O 2.7Å; L581-I602 PolarHBondContact O-N 3.2Å; V600-I602 HydrophobicContact CG1-CD1 4.43Å; V600-I602 HydrophobicContact CG2-CD1 4.4Å; V600-I602 HydrophobicContact CG2-CG1 3.96Å; I602-L604 PolarHBondContact O-N 3.05Å; I602-I607 HydrophobicContact CG2-CD1 3.92Å; I602-I607 HydrophobicContact CG2-CG1 3.73Å; I602-Y615 HydrophobicContact CD1-CD1 3.89Å; I602-Y615 HydrophobicContact CD1-CD2 4.28Å; I602-Y615 HydrophobicContact CD1-CE1 3.62Å; I602-Y615 HydrophobicContact CD1-CE2 4.05Å; I602-Y615 HydrophobicContact CD1-CG 4.22Å; I602-Y615 HydrophobicContact CG1-CD1 4.26Å; I602-Y615 HydrophobicContact CG1-CE1 4.02Å; I602-L632 HydrophobicContact CD1-CD1 3.79Å; I602-I634 HydrophobicContact CD1-CD1 4.04Å
603	P	90.4	Very high	86	Confident	20 Å²	20	47.8 Å²	47.8	13%	0.13	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	131.6	174.7	-23.7	34.7	0	0	0	111	V580 L605 N606 Y872	V580-P603 HydrophobicContact CG2-CB 4.41Å; V580-P603 HydrophobicContact CG2-CG 4.3Å; P603-L605 PolarHBondContact O-N 2.82Å; P603-L605 VanDerWaalsContact O-N 3.11Å; P603-N606 PolarHBondContact O-N 2.78Å; P603-Y872 HydrophobicContact CG-CD1 4.41Å; P603-Y872 HydrophobicContact CG-CD2 3.64Å; P603-Y872 HydrophobicContact CG-CE2 4.45Å; P603-Y872 HydrophobicContact CG-CG 3.63Å
604	L	88.6	Confident	86.9	Confident	5 Å²	5	45 Å²	45	3%	0.026	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-58.2	-30.8	-174.3	-66.7	176.5	0	0	0	113.5	V521 L548 V574 I577 S579 L581 I602 N606 I607 V636	V521-L604 HydrophobicContact CB-CD2 4.23Å; V521-L604 HydrophobicContact CG1-CD2 4.18Å; V521-L604 HydrophobicContact CG2-CD2 4.01Å; L548-L604 HydrophobicContact CD1-CD1 4.13Å; L548-L604 HydrophobicContact CD1-CD2 4.29Å; L548-L604 HydrophobicContact CD1-CG 4.36Å; V574-L604 HydrophobicContact CB-CD1 4.44Å; V574-L604 HydrophobicContact CG1-CD1 3.76Å; V574-L604 HydrophobicContact CG2-CD1 3.85Å; I577-L604 HydrophobicContact CD1-CB 4.02Å; I577-L604 HydrophobicContact CD1-CD1 4.3Å; S579-L604 WeakPolarHBondContact O-CG 3.13Å; S579-L604 PolarHBondContact O-N 2.82Å; L581-L604 HydrophobicContact CB-CD2 4.35Å; I602-L604 PolarHBondContact O-N 3.05Å; L604-N606 VanDerWaalsContact C-N 3.28Å; L604-N606 PolarHBondContact O-N 2.75Å; L604-I607 HydrophobicContact CD2-CD1 3.94Å; L604-I607 WeakPolarHBondContact O-CB 3.48Å; L604-I607 PolarHBondContact O-N 3.15Å; L604-V636 HydrophobicContact CD2-CG2 4.36Å
605	L	86.5	Confident	87.4	Confident	50 Å²	50	44 Å²	44	26%	0.262	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-70.3	-17.3	176.7	-70.2	173	0	0	0	114.6	I577 H578 P603 F638 V806 F808	I577-L605 HydrophobicContact CG1-CD2 3.61Å; I577-L605 HydrophobicContact CG1-CG 4.05Å; I577-L605 HydrophobicContact CG2-CD2 4.24Å; H578-L605 VanDerWaalsContact CE1-CD1 3.48Å; H578-L605 WeakPolarHBondContact CE1-CD1 3.14Å; P603-L605 PolarHBondContact O-N 2.82Å; P603-L605 VanDerWaalsContact O-N 3.11Å; L605-F638 HydrophobicContact CD2-CZ 4.29Å; L605-V806 HydrophobicContact CD1-CG1 3.72Å; L605-F808 HydrophobicContact CD1-CB 4.14Å; L605-F808 HydrophobicContact CD2-CB 4.5Å
606	N	84.8	Confident	87.8	Confident	88 Å²	88	42.8 Å²	42.8	47%	0.471	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-93.2	2.3	-180	-67.8	-1.3	0	0	0	112.6	P603 L604	P603-N606 PolarHBondContact O-N 2.78Å; L604-N606 VanDerWaalsContact C-N 3.28Å; L604-N606 PolarHBondContact O-N 2.75Å
607	I	85.6	Confident	87.9	Confident	21 Å²	21	40.2 Å²	40.2	11%	0.108	21%	0.208	C	C	.	.			trans	-84.8	136.2	-174.4	-59.5	-174.1	0	0	0	110.4	I602 L604 I634 V636	I602-I607 HydrophobicContact CG2-CD1 3.92Å; I602-I607 HydrophobicContact CG2-CG1 3.73Å; L604-I607 HydrophobicContact CD2-CD1 3.94Å; L604-I607 WeakPolarHBondContact O-CB 3.48Å; L604-I607 PolarHBondContact O-N 3.15Å; I607-I634 HydrophobicContact CD1-CB 4.38Å; I607-I634 HydrophobicContact CD1-CD1 4.15Å; I607-I634 HydrophobicContact CD1-CG2 3.82Å; I607-I634 HydrophobicContact CG2-CB 3.74Å; I607-I634 HydrophobicContact CG2-CG2 3.94Å; I607-V636 HydrophobicContact CB-CG2 3.97Å; I607-V636 HydrophobicContact CD1-CG2 3.95Å; I607-V636 HydrophobicContact CG1-CG2 4.46Å; I607-V636 HydrophobicContact CG2-CG2 3.96Å
608	Q	82.4	Confident	88	Confident	121 Å²	121	40.6 Å²	40.6	57%	0.565	21%	0.21	S	C	*	.			trans	-107.7	110.9	175	-68	178.8	50.3	0	0	108.1	G610 E611	Q608-G610 PolarHBondContact O-N 2.93Å; Q608-E611 HydrophobicContact CB-CB 4.44Å; Q608-E611 WeakPolarHBondContact CB-OE2 3.24Å; Q608-E611 PolarHBondContact O-N 3.03Å; Q608-E611 PolarHBondContact OE1-OE2 2.88Å
609	N	85.7	Confident	87.7	Confident	81 Å²	81	41.6 Å²	41.6	43%	0.433	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	130.2	-168.2	-73.9	-6.4	0	0	0	112.8	E611 I634 V636	N609-E611 VanDerWaalsContact C-N 3.26Å; N609-E611 PolarHBondContact O-N 2.8Å; N609-I634 WeakPolarHBondContact CA-O 3.25Å; N609-V636 PolarHBondContact ND2-O 2.85Å; N609-V636 PolarHBondContact OD1-N 3.46Å
610	G	76.9	Confident	87.3	Confident	40 Å²	40	44.2 Å²	44.2	41%	0.412	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.4	3.1	176.8	0	0	0	0	0	115.2	Q608 I634	Q608-G610 PolarHBondContact O-N 2.93Å; G610-I634 PolarHBondContact N-O 2.9Å
611	E	86.1	Confident	86.4	Confident	81 Å²	81	48.7 Å²	48.7	38%	0.379	25%	0.249	S	C	.	.			trans	-89.2	130.8	178.9	-161.2	-173.1	153.8	0	0	111.8	Q608 N609 K613	Q608-E611 HydrophobicContact CB-CB 4.44Å; Q608-E611 WeakPolarHBondContact CB-OE2 3.24Å; Q608-E611 PolarHBondContact O-N 3.03Å; Q608-E611 PolarHBondContact OE1-OE2 2.88Å; N609-E611 VanDerWaalsContact C-N 3.26Å; N609-E611 PolarHBondContact O-N 2.8Å; E611-K613 VanDerWaalsContact CD-CE 3.45Å; E611-K613 HydrophobicContact CG-CG 4.43Å; E611-K613 PolarHBondContact O-N 2.69Å; E611-K613 WeakPolarHBondContact OE1-CE 3.32Å; E611-K613 IonicContact OE1-NZ 3.51Å; E611-K613 PolarHBondContact OE1-NZ 3.4Å; E611-K613 VanDerWaalsContact OE1-NZ 3.12Å; E611-K613 WeakPolarHBondContact OE2-CE 3.38Å; E611-K613 IonicContact OE2-NZ 2.72Å; E611-K613 PolarHBondContact OE2-NZ 3.44Å
612	R	88	Confident	85.7	Confident	163 Å²	163	48.8 Å²	48.8	62%	0.615	25%	0.248	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-81.1	110	173.4	-74.9	176.1	-177.1	-174.7	0.7	110	I526 E633	I526-R612 HydrophobicContact CD1-CG 4Å; R612-E633 HydrophobicContact CG-CB 3.93Å; R612-E633 HydrophobicContact CG-CG 4.11Å; R612-E633 IonicContact CZ-OE2 3.63Å; R612-E633 IonicContact NE-OE2 3.14Å; R612-E633 PolarHBondContact NE-OE2 2.93Å; R612-E633 IonicContact NH2-OE2 2.66Å; R612-E633 PolarHBondContact NH2-OE2 2.82Å
613	K	88.4	Confident	84.8	Confident	42 Å²	42	51.7 Å²	51.7	18%	0.183	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	137.6	178.9	-83.8	173	162.4	135.9	0	111.7	E611 Y615 L632	E611-K613 VanDerWaalsContact CD-CE 3.45Å; E611-K613 HydrophobicContact CG-CG 4.43Å; E611-K613 PolarHBondContact O-N 2.69Å; E611-K613 WeakPolarHBondContact OE1-CE 3.32Å; E611-K613 IonicContact OE1-NZ 3.51Å; E611-K613 PolarHBondContact OE1-NZ 3.4Å; E611-K613 VanDerWaalsContact OE1-NZ 3.12Å; E611-K613 WeakPolarHBondContact OE2-CE 3.38Å; E611-K613 IonicContact OE2-NZ 2.72Å; E611-K613 PolarHBondContact OE2-NZ 3.44Å; K613-Y615 HydrophobicContact CB-CD2 4.17Å; K613-Y615 HydrophobicContact CB-CE2 3.44Å; K613-Y615 VanDerWaalsContact CB-CE2 3.44Å; K613-Y615 WeakPolarHBondContact O-CD2 3.43Å; K613-L632 PolarHBondContact N-O 3.11Å; K613-L632 PolarHBondContact O-N 3.41Å
614	A	89.6	Confident	84	Confident	34 Å²	34	51.7 Å²	51.7	28%	0.281	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	121.6	169	0	0	0	0	0	108.6	I630 F631 L877	A614-I630 WeakPolarHBondContact CA-O 3.41Å; A614-F631 HydrophobicContact CB-CD1 3.92Å; A614-F631 HydrophobicContact CB-CE1 3.69Å; A614-F631 HydrophobicContact CB-CE2 4.47Å; A614-F631 HydrophobicContact CB-CG 4.43Å; A614-F631 HydrophobicContact CB-CZ 3.99Å; A614-L877 HydrophobicContact CB-CD1 3.73Å
615	Y	90.4	Very high	83.6	Confident	19 Å²	19	56.2 Å²	56.2	8%	0.075	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	128.4	-179.3	-66.5	-93.7	0	0	0	109.6	V600 I602 K613 V629 I630 L632	V600-Y615 HydrophobicContact CG2-CD1 4.15Å; V600-Y615 HydrophobicContact CG2-CG 4.43Å; I602-Y615 HydrophobicContact CD1-CD1 3.89Å; I602-Y615 HydrophobicContact CD1-CD2 4.28Å; I602-Y615 HydrophobicContact CD1-CE1 3.62Å; I602-Y615 HydrophobicContact CD1-CE2 4.05Å; I602-Y615 HydrophobicContact CD1-CG 4.22Å; I602-Y615 HydrophobicContact CG1-CD1 4.26Å; I602-Y615 HydrophobicContact CG1-CE1 4.02Å; K613-Y615 HydrophobicContact CB-CD2 4.17Å; K613-Y615 HydrophobicContact CB-CE2 3.44Å; K613-Y615 VanDerWaalsContact CB-CE2 3.44Å; K613-Y615 WeakPolarHBondContact O-CD2 3.43Å; Y615-V629 CarbonylContact O-C 3.55Å; Y615-V629 VanDerWaalsContact O-CA 3.27Å; Y615-V629 WeakPolarHBondContact O-CA 3.43Å; Y615-I630 PolarHBondContact N-O 2.91Å; Y615-I630 PolarHBondContact O-N 3.43Å; Y615-L632 HydrophobicContact CD2-CB 4.14Å; Y615-L632 HydrophobicContact CD2-CD1 3.93Å; Y615-L632 HydrophobicContact CD2-CG 4.15Å; Y615-L632 HydrophobicContact CE2-CB 3.97Å; Y615-L632 HydrophobicContact CE2-CD1 4.19Å; Y615-L632 HydrophobicContact CE2-CG 4.43Å
616	V	91.2	Very high	83.5	Confident	27 Å²	27	55.4 Å²	55.4	16%	0.164	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	131.8	171.9	-176.2	0	0	0	0	109.1	L875 L877	V616-L875 HydrophobicContact CB-CB 4.22Å; V616-L875 HydrophobicContact CG1-CD1 4.31Å; V616-L875 HydrophobicContact CG2-CB 4.32Å; V616-L877 HydrophobicContact CG2-CD2 3.54Å; V616-L877 HydrophobicContact CG2-CG 4.02Å
617	L	89.8	Confident	83.4	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	144.9	174.1	-63.4	177.4	0	0	0	110.7	L531 V585 T626 G628 I630	L531-L617 HydrophobicContact CD2-CD1 3.56Å; V585-L617 HydrophobicContact CB-CD1 4.5Å; V585-L617 HydrophobicContact CG2-CD1 4.18Å; V585-L617 HydrophobicContact CG2-CD2 4.18Å; L617-T626 PolarHBondContact O-N 2.66Å; L617-G628 PolarHBondContact N-O 3.44Å; L617-I630 HydrophobicContact CD2-CB 4.3Å; L617-I630 HydrophobicContact CD2-CG2 3.85Å
618	K	88.8	Confident	83.4	Confident	9 Å²	9	58.1 Å²	58.1	4%	0.039	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	170.7	176	-61.9	-169	-179.5	-178	0	111.8	K599 L622 G624 T626 V870 Q871 Q873 L875	K599-K618 PolarHBondContact N-O 3.33Å; K599-K618 WeakPolarHBondContact O-CA 3.44Å; K599-K618 WeakPolarHBondContact O-CB 3.16Å; K599-K618 PolarHBondContact O-N 2.87Å; K618-L622 HydrophobicContact CB-CD2 4.13Å; K618-L622 HydrophobicContact CD-CB 4.41Å; K618-L622 HydrophobicContact CD-CD2 4.49Å; K618-L622 WeakPolarHBondContact CD-O 3.4Å; K618-G624 CarbonylContact C-O 3.53Å; K618-G624 WeakPolarHBondContact CA-O 3.46Å; K618-G624 WeakPolarHBondContact CB-O 3.13Å; K618-T626 PolarHBondContact O-OG1 3.05Å; K618-V870 PolarHBondContact NZ-O 3.28Å; K618-Q871 PolarHBondContact NZ-O 3.29Å; K618-Q873 WeakPolarHBondContact CE-O 3.44Å; K618-Q873 PolarHBondContact NZ-O 3.28Å; K618-L875 HydrophobicContact CG-CD1 4.22Å
619	S	84.1	Confident	83.9	Confident	21 Å²	21	53.7 Å²	53.7	15%	0.147	29%	0.287	C	S	.	.			trans	-57.2	169	170.4	64.5	0	0	0	0	112.3	E621 L622 T623 G624 T626	S619-E621 PolarHBondContact O-N 2.83Å; S619-L622 WeakPolarHBondContact O-CA 3.16Å; S619-L622 PolarHBondContact O-N 3.49Å; S619-L622 PolarHBondContact OG-N 2.8Å; S619-T623 PolarHBondContact OG-N 2.72Å; S619-T623 VanDerWaalsContact OG-N 3.14Å; S619-T623 PolarHBondContact OG-OG1 2.87Å; S619-G624 PolarHBondContact N-O 3.28Å; S619-G624 PolarHBondContact OG-N 3.32Å; S619-T626 PolarHBondContact N-OG1 2.86Å; S619-T626 VanDerWaalsContact N-OG1 3.13Å
620	K	81.4	Confident	84.2	Confident	87 Å²	87	49.8 Å²	49.8	38%	0.378	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-36	179.7	-164.7	-164.6	-177.3	-165	0	111.7	F596 L622 E658	F596-K620 HydrophobicContact CD2-CB 4.47Å; F596-K620 HydrophobicContact CD2-CG 4.31Å; F596-K620 HydrophobicContact CE1-CB 4.14Å; F596-K620 HydrophobicContact CE2-CB 4.06Å; F596-K620 HydrophobicContact CE2-CG 4.04Å; F596-K620 VanDerWaalsContact CZ-CA 3.41Å; F596-K620 HydrophobicContact CZ-CB 3.89Å; F596-K620 HydrophobicContact CZ-CG 4.37Å; K620-L622 PolarHBondContact O-N 3.42Å; K620-E658 WeakPolarHBondContact CE-OE1 3.45Å; K620-E658 IonicContact NZ-OE1 2.68Å; K620-E658 PolarHBondContact NZ-OE1 2.83Å; K620-E658 IonicContact NZ-OE2 2.7Å; K620-E658 PolarHBondContact NZ-OE2 3.34Å
621	E	74.1	Confident	85	Confident	106 Å²	106	50 Å²	50	50%	0.495	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-2.7	177.9	-61	66.7	-146.9	0	0	113	S619 T623 Q871	S619-E621 PolarHBondContact O-N 2.83Å; E621-T623 HydrophobicContact CB-CG2 4.07Å; E621-T623 PolarHBondContact O-N 2.86Å; E621-Q871 PolarHBondContact O-NE2 3.19Å
622	L	77.3	Confident	85.3	Confident	8 Å²	8	46.2 Å²	46.2	4%	0.042	24%	0.239	C	C	.	.	S	Bend	trans	58.7	21.9	-176.2	-60.7	166.9	0	0	0	114.3	K599 A601 K618 S619 K620 Q871	K599-L622 HydrophobicContact CB-CD2 3.9Å; K599-L622 HydrophobicContact CD-CD2 4.14Å; K599-L622 HydrophobicContact CD-CG 4.41Å; K599-L622 HydrophobicContact CG-CD2 3.87Å; A601-L622 HydrophobicContact CB-CD1 3.57Å; A601-L622 HydrophobicContact CB-CD2 4.25Å; K618-L622 HydrophobicContact CB-CD2 4.13Å; K618-L622 HydrophobicContact CD-CB 4.41Å; K618-L622 HydrophobicContact CD-CD2 4.49Å; K618-L622 WeakPolarHBondContact CD-O 3.4Å; S619-L622 WeakPolarHBondContact O-CA 3.16Å; S619-L622 PolarHBondContact O-N 3.49Å; S619-L622 PolarHBondContact OG-N 2.8Å; K620-L622 PolarHBondContact O-N 3.42Å; L622-Q871 HydrophobicContact CB-CB 3.89Å; L622-Q871 HydrophobicContact CB-CG 3.84Å; L622-Q871 HydrophobicContact CD1-CB 4.39Å
623	T	70.6	Confident	85.5	Confident	62 Å²	62	39.1 Å²	39.1	38%	0.38	21%	0.213	S	C	.	.	S	Bend	trans	-84.2	-62.3	-178.4	48.1	0	0	0	0	112	S619 E621	S619-T623 PolarHBondContact OG-N 2.72Å; S619-T623 VanDerWaalsContact OG-N 3.14Å; S619-T623 PolarHBondContact OG-OG1 2.87Å; E621-T623 HydrophobicContact CB-CG2 4.07Å; E621-T623 PolarHBondContact O-N 2.86Å
624	G	74.4	Confident	85.6	Confident	21 Å²	21	37.3 Å²	37.3	22%	0.216	21%	0.205	C	C	.	.	S	Bend	trans	-104.4	160.9	-174.6	0	0	0	0	0	113.8	K618 S619	K618-G624 CarbonylContact C-O 3.53Å; K618-G624 WeakPolarHBondContact CA-O 3.46Å; K618-G624 WeakPolarHBondContact CB-O 3.13Å; S619-G624 PolarHBondContact N-O 3.28Å; S619-G624 PolarHBondContact OG-N 3.32Å
625	P	79.8	Confident	85.5	Confident	99 Å²	99	36 Å²	36	64%	0.643	19%	0.193	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-64.6	154.8	171.4	28.1	-34.3	0	0	0	112.1	L875	P625-L875 HydrophobicContact CB-CD1 3.92Å
626	T	83.9	Confident	85.4	Confident	34 Å²	34	35.5 Å²	35.5	21%	0.209	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	159.2	175.1	-65.4	0	0	0	0	109.5	L597 L617 K618 S619 G628	L597-T626 VanDerWaalsContact O-CG2 3.29Å; L597-T626 WeakPolarHBondContact O-CG2 3.39Å; L617-T626 PolarHBondContact O-N 2.66Å; K618-T626 PolarHBondContact O-OG1 3.05Å; S619-T626 PolarHBondContact N-OG1 2.86Å; S619-T626 VanDerWaalsContact N-OG1 3.13Å; T626-G628 PolarHBondContact O-N 3.17Å; T626-G628 VanDerWaalsContact O-N 3.11Å
627	K	82.5	Confident	85.1	Confident	156 Å²	156	35.1 Å²	35.1	68%	0.678	19%	0.189	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-71.9	106.8	-177.3	-71.1	179.5	-178.7	172.3	0	111.2	G530 L531 M532	G530-K627 CarbonylContact O-C 3.47Å; L531-K627 CarbonylContact C-O 3.57Å; L531-K627 WeakPolarHBondContact CA-O 3.38Å; M532-K627 HydrophobicContact CB-CB 4.31Å; M532-K627 PolarHBondContact N-O 3.02Å; M532-K627 VanDerWaalsContact N-O 3.11Å
628	G	85.9	Confident	85	Confident	10 Å²	10	38.5 Å²	38.5	10%	0.103	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	143.8	158.7	168.9	0	0	0	0	0	112.7	E529 G530 L617 T626	E529-G628 WeakPolarHBondContact O-CA 3.37Å; G530-G628 WeakPolarHBondContact O-CA 3.26Å; G530-G628 PolarHBondContact O-N 2.99Å; L617-G628 PolarHBondContact N-O 3.44Å; T626-G628 PolarHBondContact O-N 3.17Å; T626-G628 VanDerWaalsContact O-N 3.11Å
629	V	92.7	Very high	84.8	Confident	27 Å²	27	38.2 Å²	38.2	16%	0.164	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	144	176	-56.3	0	0	0	0	109.5	A528 E529 Y615 F631 L877	A528-V629 CarbonylContact C-O 3.59Å; A528-V629 WeakPolarHBondContact CA-O 3.39Å; A528-V629 WeakPolarHBondContact CB-O 3.3Å; E529-V629 HydrophobicContact CB-CG2 3.84Å; E529-V629 PolarHBondContact N-O 3.3Å; E529-V629 PolarHBondContact O-N 3.38Å; Y615-V629 CarbonylContact O-C 3.55Å; Y615-V629 VanDerWaalsContact O-CA 3.27Å; Y615-V629 WeakPolarHBondContact O-CA 3.43Å; V629-F631 HydrophobicContact CG2-CE2 3.78Å; V629-F631 HydrophobicContact CG2-CZ 4.39Å; V629-L877 HydrophobicContact CG1-CD2 3.6Å
630	I	92.8	Very high	84.8	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	131.6	178.9	-169.2	168.4	0	0	0	111.2	V525 A528 W566 V583 V585 V600 A614 Y615 L617 L632	V525-I630 HydrophobicContact CG1-CD1 4.43Å; A528-I630 HydrophobicContact CB-CB 4.45Å; A528-I630 HydrophobicContact CB-CG1 4.43Å; W566-I630 HydrophobicContact CZ3-CD1 4.07Å; W566-I630 HydrophobicContact CZ3-CG1 4.42Å; V583-I630 HydrophobicContact CG1-CD1 3.82Å; V585-I630 HydrophobicContact CG2-CD1 4.02Å; V600-I630 HydrophobicContact CG1-CG2 4.11Å; A614-I630 WeakPolarHBondContact CA-O 3.41Å; Y615-I630 PolarHBondContact N-O 2.91Å; Y615-I630 PolarHBondContact O-N 3.43Å; L617-I630 HydrophobicContact CD2-CB 4.3Å; L617-I630 HydrophobicContact CD2-CG2 3.85Å; I630-L632 HydrophobicContact CD1-CD2 4.09Å; I630-L632 HydrophobicContact CG1-CD2 3.97Å; I630-L632 HydrophobicContact CG1-CG 4.31Å; I630-L632 HydrophobicContact CG2-CD1 4.36Å; I630-L632 HydrophobicContact CG2-CG 4.41Å
631	F	93.6	Very high	84.8	Confident	44 Å²	44	39.4 Å²	39.4	19%	0.193	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	114.6	-177.7	-68.6	-101	0	0	0	110	I526 R527 E529 A614 V629	I526-F631 HydrophobicContact CB-CB 4.23Å; I526-F631 WeakPolarHBondContact CB-O 3.4Å; I526-F631 PolarHBondContact N-O 3Å; R527-F631 HydrophobicContact CG-CB 4.15Å; R527-F631 HydrophobicContact CG-CD2 3.83Å; R527-F631 HydrophobicContact CG-CG 4.19Å; R527-F631 PolarHBondContact O-N 2.72Å; E529-F631 HydrophobicContact CB-CE2 4.15Å; E529-F631 HydrophobicContact CG-CD2 4.44Å; E529-F631 HydrophobicContact CG-CE2 3.72Å; E529-F631 VanDerWaalsContact OE1-CE2 3.26Å; E529-F631 WeakPolarHBondContact OE1-CE2 3.41Å; E529-F631 WeakPolarHBondContact OE1-CZ 3.48Å; A614-F631 HydrophobicContact CB-CD1 3.92Å; A614-F631 HydrophobicContact CB-CE1 3.69Å; A614-F631 HydrophobicContact CB-CE2 4.47Å; A614-F631 HydrophobicContact CB-CG 4.43Å; A614-F631 HydrophobicContact CB-CZ 3.99Å; V629-F631 HydrophobicContact CG2-CE2 3.78Å; V629-F631 HydrophobicContact CG2-CZ 4.39Å
632	L	92.4	Very high	85.2	Confident	1 Å²	1	35 Å²	35	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	141.5	-177.2	-54.2	175.8	0	0	0	110	K524 V525 V583 I602 K613 Y615 I630 I634	K524-L632 WeakPolarHBondContact O-CA 3.3Å; V525-L632 HydrophobicContact CB-CD2 4.21Å; V525-L632 HydrophobicContact CG1-CD2 4.26Å; V525-L632 HydrophobicContact CG2-CD2 3.84Å; V583-L632 HydrophobicContact CG2-CD1 4.07Å; I602-L632 HydrophobicContact CD1-CD1 3.79Å; K613-L632 PolarHBondContact N-O 3.11Å; K613-L632 PolarHBondContact O-N 3.41Å; Y615-L632 HydrophobicContact CD2-CB 4.14Å; Y615-L632 HydrophobicContact CD2-CD1 3.93Å; Y615-L632 HydrophobicContact CD2-CG 4.15Å; Y615-L632 HydrophobicContact CE2-CB 3.97Å; Y615-L632 HydrophobicContact CE2-CD1 4.19Å; Y615-L632 HydrophobicContact CE2-CG 4.43Å; I630-L632 HydrophobicContact CD1-CD2 4.09Å; I630-L632 HydrophobicContact CG1-CD2 3.97Å; I630-L632 HydrophobicContact CG1-CG 4.31Å; I630-L632 HydrophobicContact CG2-CD1 4.36Å; I630-L632 HydrophobicContact CG2-CG 4.41Å; L632-I634 HydrophobicContact CB-CD1 4.24Å; L632-I634 HydrophobicContact CB-CG1 4.17Å; L632-I634 HydrophobicContact CD1-CD1 4.41Å
633	E	91.2	Very high	85.5	Confident	15 Å²	15	34.6 Å²	34.6	7%	0.07	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	124.9	166.5	-178.3	-169.3	130.3	0	0	106.6	K524 I526 R612	K524-E633 HydrophobicContact CB-CB 4.14Å; K524-E633 WeakPolarHBondContact CB-O 3.49Å; K524-E633 HydrophobicContact CD-CG 4.37Å; K524-E633 VanDerWaalsContact CD-OE1 3.3Å; K524-E633 WeakPolarHBondContact CD-OE1 3.49Å; K524-E633 VanDerWaalsContact CE-OE1 3.26Å; K524-E633 WeakPolarHBondContact CE-OE1 3.18Å; K524-E633 HydrophobicContact CG-CB 4.44Å; K524-E633 PolarHBondContact N-O 3.4Å; K524-E633 IonicContact NZ-OE1 3.53Å; K524-E633 PolarHBondContact NZ-OE1 3.44Å; K524-E633 PolarHBondContact O-N 3.28Å; I526-E633 HydrophobicContact CD1-CB 4.3Å; R612-E633 HydrophobicContact CG-CB 3.93Å; R612-E633 HydrophobicContact CG-CG 4.11Å; R612-E633 IonicContact CZ-OE2 3.63Å; R612-E633 IonicContact NE-OE2 3.14Å; R612-E633 PolarHBondContact NE-OE2 2.93Å; R612-E633 IonicContact NH2-OE2 2.66Å; R612-E633 PolarHBondContact NH2-OE2 2.82Å
634	I	91	Very high	86.1	Confident	4 Å²	4	32.1 Å²	32.1	2%	0.021	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	134.1	-170.6	-43.7	175.1	0	0	0	110.6	V521 Q522 V523 L581 I602 I607 N609 G610 L632	V521-I634 HydrophobicContact CG2-CG2 3.62Å; Q522-I634 CarbonylContact O-C 3.57Å; Q522-I634 VanDerWaalsContact O-CA 3.32Å; Q522-I634 WeakPolarHBondContact O-CA 3.17Å; Q522-I634 WeakPolarHBondContact O-CG2 3.34Å; V523-I634 HydrophobicContact CG1-CD1 4.47Å; V523-I634 HydrophobicContact CG1-CG1 4.26Å; V523-I634 HydrophobicContact CG2-CG2 4.03Å; L581-I634 HydrophobicContact CD2-CD1 3.88Å; I602-I634 HydrophobicContact CD1-CD1 4.04Å; I607-I634 HydrophobicContact CD1-CB 4.38Å; I607-I634 HydrophobicContact CD1-CD1 4.15Å; I607-I634 HydrophobicContact CD1-CG2 3.82Å; I607-I634 HydrophobicContact CG2-CB 3.74Å; I607-I634 HydrophobicContact CG2-CG2 3.94Å; N609-I634 WeakPolarHBondContact CA-O 3.25Å; G610-I634 PolarHBondContact N-O 2.9Å; L632-I634 HydrophobicContact CB-CD1 4.24Å; L632-I634 HydrophobicContact CB-CG1 4.17Å; L632-I634 HydrophobicContact CD1-CD1 4.41Å
635	D	87.3	Confident	86.4	Confident	7 Å²	7	34.8 Å²	34.8	4%	0.037	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	122	175.8	-98.1	-79.5	0	0	0	109.5	L493 R499 V521 Q522	L493-D635 HydrophobicContact CD1-CB 3.73Å; R499-D635 IonicContact CZ-OD1 2.7Å; R499-D635 IonicContact NH1-OD1 2.72Å; R499-D635 PolarHBondContact NH1-OD1 2.84Å; R499-D635 VanDerWaalsContact NH1-OD1 3.13Å; R499-D635 IonicContact NH1-OD2 2.62Å; R499-D635 IonicContact NH2-OD1 2.75Å; R499-D635 PolarHBondContact NH2-OD1 3.48Å; V521-D635 CarbonylContact C-O 3.57Å; V521-D635 WeakPolarHBondContact CA-O 3.25Å; Q522-D635 PolarHBondContact N-O 2.9Å; Q522-D635 PolarHBondContact O-N 3.38Å
636	V	88.9	Confident	86.6	Confident	8 Å²	8	31.3 Å²	31.3	5%	0.048	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	125.8	173.2	-166.5	0	0	0	0	110.1	V521 I577 L604 I607 N609 F638	V521-V636 HydrophobicContact CB-CG1 4.48Å; V521-V636 HydrophobicContact CB-CG2 4.35Å; V521-V636 HydrophobicContact CG2-CG2 3.85Å; I577-V636 HydrophobicContact CD1-CG1 3.87Å; L604-V636 HydrophobicContact CD2-CG2 4.36Å; I607-V636 HydrophobicContact CB-CG2 3.97Å; I607-V636 HydrophobicContact CD1-CG2 3.95Å; I607-V636 HydrophobicContact CG1-CG2 4.46Å; I607-V636 HydrophobicContact CG2-CG2 3.96Å; N609-V636 PolarHBondContact ND2-O 2.85Å; N609-V636 PolarHBondContact OD1-N 3.46Å; V636-F638 HydrophobicContact CG1-CD1 4.01Å
637	I	84.8	Confident	86.5	Confident	19 Å²	19	29.7 Å²	29.7	10%	0.097	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	112.2	173.3	-57.5	179.5	0	0	0	108.5	L493 R499 I502 M503 Y506 G519 V520	L493-I637 HydrophobicContact CD1-CD1 4.44Å; L493-I637 HydrophobicContact CD2-CD1 3.82Å; R499-I637 HydrophobicContact CG-CD1 4.28Å; I502-I637 HydrophobicContact CG2-CD1 4.19Å; I502-I637 HydrophobicContact CG2-CG2 4.17Å; M503-I637 HydrophobicContact CG-CG2 4.38Å; Y506-I637 HydrophobicContact CD2-CG2 4.38Å; G519-I637 CarbonylContact C-O 3.54Å; G519-I637 WeakPolarHBondContact CA-O 3.44Å; V520-I637 PolarHBondContact N-O 3.31Å; V520-I637 PolarHBondContact O-N 2.84Å
638	F	87.4	Confident	86.2	Confident	70 Å²	70	25.5 Å²	25.5	31%	0.307	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	159.4	-177.4	71.6	-80.5	0	0	0	112.2	I577 L605 V636 A640 A643 F808	I577-F638 HydrophobicContact CB-CD2 4.46Å; I577-F638 HydrophobicContact CD1-CB 3.98Å; I577-F638 HydrophobicContact CD1-CD1 3.62Å; I577-F638 HydrophobicContact CD1-CD2 4.01Å; I577-F638 HydrophobicContact CD1-CE1 4.04Å; I577-F638 HydrophobicContact CD1-CE2 4.39Å; I577-F638 HydrophobicContact CD1-CG 3.6Å; I577-F638 HydrophobicContact CD1-CZ 4.4Å; I577-F638 HydrophobicContact CG1-CD1 4.24Å; I577-F638 HydrophobicContact CG1-CD2 3.92Å; I577-F638 HydrophobicContact CG1-CE1 4.29Å; I577-F638 HydrophobicContact CG1-CE2 3.98Å; I577-F638 HydrophobicContact CG1-CG 4.05Å; I577-F638 HydrophobicContact CG1-CZ 4.16Å; L605-F638 HydrophobicContact CD2-CZ 4.29Å; V636-F638 HydrophobicContact CG1-CD1 4.01Å; F638-A640 HydrophobicContact CE2-CB 4.19Å; F638-A643 HydrophobicContact CD2-CB 4.15Å; F638-A643 HydrophobicContact CE2-CB 4.48Å; F638-F808 HydrophobicContact CE2-CE2 4.5Å
639	N	85.2	Confident	85.8	Confident	4 Å²	4	27.5 Å²	27.5	2%	0.021	15%	0.153	C	C	.	.			trans	-94.2	114.6	171.9	-179.5	-51.4	0	0	0	110.1	Y506 S507 S511 V518 V641 K642 A643	Y506-N639 WeakPolarHBondContact O-CB 3.27Å; Y506-N639 PolarHBondContact O-ND2 2.89Å; S507-N639 PolarHBondContact O-ND2 2.83Å; S511-N639 PolarHBondContact OG-ND2 2.95Å; S511-N639 PolarHBondContact OG-OD1 3.18Å; V518-N639 PolarHBondContact O-N 3.43Å; N639-V641 PolarHBondContact O-N 3.14Å; N639-V641 PolarHBondContact OD1-N 3.15Å; N639-K642 HydrophobicContact CB-CB 3.76Å; N639-K642 HydrophobicContact CB-CD 4.46Å; N639-K642 PolarHBondContact O-N 3.36Å; N639-K642 WeakPolarHBondContact OD1-CB 3.42Å; N639-K642 PolarHBondContact OD1-N 3.36Å; N639-A643 WeakPolarHBondContact O-CB 3.31Å; N639-A643 PolarHBondContact O-N 2.81Å
640	A	84.1	Confident	84.9	Confident	46 Å²	46	28.5 Å²	28.5	38%	0.38	16%	0.16	S	C	.	.	H	α-helix	trans	-62.3	-36.1	-176.7	0	0	0	0	0	114.3	F638 G644 F808	F638-A640 HydrophobicContact CE2-CB 4.19Å; A640-G644 PolarHBondContact O-N 3.17Å; A640-F808 HydrophobicContact CB-CE2 4.27Å
641	V	80.9	Confident	83.9	Confident	87 Å²	87	31.8 Å²	31.8	53%	0.527	18%	0.18	S	C	.	.	H	α-helix	trans	-70.4	-41.3	178.1	177.1	0	0	0	0	110.5	L508 N639 G644 L645	L508-V641 HydrophobicContact CD2-CG2 3.93Å; N639-V641 PolarHBondContact O-N 3.14Å; N639-V641 PolarHBondContact OD1-N 3.15Å; V641-G644 PolarHBondContact O-N 2.86Å; V641-L645 PolarHBondContact O-N 2.89Å
642	K	82.1	Confident	82.6	Confident	12 Å²	12	32.9 Å²	32.9	5%	0.052	19%	0.186	C	C	.	.	H	α-helix	trans	-67	-41.3	177.5	-161.8	172.4	-175.2	-179.4	0	111.7	H513 N514 L515 D517 V518 N639 L645 R646	H513-K642 WeakPolarHBondContact O-CE 3.33Å; H513-K642 PolarHBondContact O-NZ 3.14Å; N514-K642 WeakPolarHBondContact O-CE 3.44Å; N514-K642 PolarHBondContact O-NZ 3.5Å; L515-K642 HydrophobicContact CD2-CG 4.43Å; D517-K642 WeakPolarHBondContact O-CD 3.16Å; D517-K642 WeakPolarHBondContact O-CE 3.39Å; D517-K642 PolarHBondContact O-NZ 3.42Å; V518-K642 HydrophobicContact CG2-CG 4.46Å; N639-K642 HydrophobicContact CB-CB 3.76Å; N639-K642 HydrophobicContact CB-CD 4.46Å; N639-K642 PolarHBondContact O-N 3.36Å; N639-K642 WeakPolarHBondContact OD1-CB 3.42Å; N639-K642 PolarHBondContact OD1-N 3.36Å; K642-L645 PolarHBondContact O-N 2.94Å; K642-R646 PolarHBondContact O-N 3.28Å
643	A	83.5	Confident	81.2	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-58.8	-50.8	170.8	0	0	0	0	0	111.5	V518 I577 F638 N639 L645 R646 T647 F808	V518-A643 HydrophobicContact CG1-CB 3.61Å; I577-A643 HydrophobicContact CB-CB 4.21Å; I577-A643 HydrophobicContact CG2-CB 3.73Å; F638-A643 HydrophobicContact CD2-CB 4.15Å; F638-A643 HydrophobicContact CE2-CB 4.48Å; N639-A643 WeakPolarHBondContact O-CB 3.31Å; N639-A643 PolarHBondContact O-N 2.81Å; A643-L645 PolarHBondContact O-N 2.83Å; A643-R646 WeakPolarHBondContact O-CA 3.49Å; A643-R646 WeakPolarHBondContact O-CB 3.42Å; A643-R646 PolarHBondContact O-N 2.97Å; A643-T647 PolarHBondContact O-N 2.53Å; A643-T647 VanDerWaalsContact O-N 3.1Å; A643-F808 HydrophobicContact CB-CZ 3.94Å
644	G	83.6	Confident	79.6	Confident	11 Å²	11	42.8 Å²	42.8	11%	0.113	23%	0.231	C	C	.	.	H	α-helix	trans	-64.6	-19.8	179	0	0	0	0	0	114.9	A640 V641 T647	A640-G644 PolarHBondContact O-N 3.17Å; V641-G644 PolarHBondContact O-N 2.86Å; G644-T647 PolarHBondContact O-OG1 2.86Å
645	L	81.1	Confident	77.8	Confident	76 Å²	76	51.9 Å²	51.9	40%	0.398	27%	0.266	S	S	.	.	H	α-helix	trans	-84.6	-34.5	169.1	-172.3	57.1	0	0	0	112.1	L515 V641 K642 A643 T647 L648	L515-L645 HydrophobicContact CD1-CD2 3.92Å; L515-L645 HydrophobicContact CD2-CD2 3.96Å; V641-L645 PolarHBondContact O-N 2.89Å; K642-L645 PolarHBondContact O-N 2.94Å; A643-L645 PolarHBondContact O-N 2.83Å; L645-T647 VanDerWaalsContact C-N 3.27Å; L645-T647 PolarHBondContact O-N 2.81Å; L645-L648 PolarHBondContact O-N 3.24Å
646	R	82.6	Confident	76	Confident	27 Å²	27	56.7 Å²	56.7	10%	0.102	29%	0.291	C	S	.	.	H	α-helix	trans	-61.5	-33.6	173.9	-173.2	74.4	174.5	93.6	-0.4	111.8	V518 K575 D576 K642 A643 L648 T649 P650 E652 R862	V518-R646 HydrophobicContact CG2-CB 3.95Å; V518-R646 HydrophobicContact CG2-CG 4.1Å; K575-R646 WeakPolarHBondContact O-CG 3.44Å; K575-R646 PolarHBondContact O-NE 3Å; K575-R646 VanDerWaalsContact O-NE 3.11Å; D576-R646 HydrophobicContact CB-CG 4.32Å; K642-R646 PolarHBondContact O-N 3.28Å; A643-R646 WeakPolarHBondContact O-CA 3.49Å; A643-R646 WeakPolarHBondContact O-CB 3.42Å; A643-R646 PolarHBondContact O-N 2.97Å; R646-L648 PolarHBondContact O-N 3.18Å; R646-T649 PolarHBondContact NH1-OG1 2.89Å; R646-T649 PolarHBondContact O-N 2.95Å; R646-T649 PolarHBondContact O-OG1 3.2Å; R646-P650 PolarHBondContact NH1-O 3.14Å; R646-E652 IonicContact CZ-OE1 3.31Å; R646-E652 IonicContact NH2-OE1 3.77Å; R646-E652 PolarHBondContact NH2-OE1 3.23Å; R646-R862 PolarHBondContact O-NH2 3.13Å
647	T	82.9	Confident	74.3	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-18.1	179.8	58.3	0	0	0	0	115.1	H578 A643 G644 L645 F808 L809 L812 D858 F859 R862	H578-T647 VanDerWaalsContact CD2-CG2 3.49Å; H578-T647 WeakPolarHBondContact CD2-CG2 3.5Å; H578-T647 VanDerWaalsContact NE2-CG2 3.31Å; H578-T647 WeakPolarHBondContact NE2-CG2 3.44Å; A643-T647 PolarHBondContact O-N 2.53Å; A643-T647 VanDerWaalsContact O-N 3.1Å; G644-T647 PolarHBondContact O-OG1 2.86Å; L645-T647 VanDerWaalsContact C-N 3.27Å; L645-T647 PolarHBondContact O-N 2.81Å; T647-F808 HydrophobicContact CG2-CE1 4.44Å; T647-L809 HydrophobicContact CG2-CD2 4.02Å; T647-L812 WeakPolarHBondContact OG1-CD2 3.33Å; T647-D858 CarbonylContact O-C 3.58Å; T647-F859 PolarHBondContact O-N 3.44Å; T647-R862 PolarHBondContact O-NH1 3.49Å
648	L	77.1	Confident	72.9	Confident	67 Å²	67	69 Å²	69	35%	0.351	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	1.7	178	-55.9	178.9	0	0	0	113.2	L645 R646	L645-L648 PolarHBondContact O-N 3.24Å; R646-L648 PolarHBondContact O-N 3.18Å
649	T	76.2	Confident	71.2	Confident	52 Å²	52	74.2 Å²	74.2	32%	0.319	37%	0.373	S	S	.	.	S	Bend	trans	-111.7	152	178.2	61.1	0	0	0	0	109.8	R646 R862	R646-T649 PolarHBondContact NH1-OG1 2.89Å; R646-T649 PolarHBondContact O-N 2.95Å; R646-T649 PolarHBondContact O-OG1 3.2Å; T649-R862 PolarHBondContact O-NH1 2.7Å; T649-R862 PolarHBondContact O-NH2 2.95Å
650	P	73.3	Confident	69.9	Low	48 Å²	48	77.4 Å²	77.4	31%	0.312	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-57.5	144.6	-176.3	20.9	-32.9	0	0	0	112.8	R646 N853 D858	R646-P650 PolarHBondContact NH1-O 3.14Å; P650-N853 HydrophobicContact CG-CB 4.33Å; P650-D858 WeakPolarHBondContact CA-OD1 3.35Å
651	V	72.6	Confident	69.2	Low	70 Å²	70	83.8 Å²	83.8	42%	0.424	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-66.5	144.3	173.7	-179.9	0	0	0	0	109	Q653 S861 R862	V651-Q653 PolarHBondContact O-N 2.84Å; V651-S861 WeakPolarHBondContact CG2-OG 3.37Å; V651-R862 HydrophobicContact CG2-CG 4.01Å
652	E	67.3	Low	68.4	Low	67 Å²	67	82.6 Å²	82.6	31%	0.313	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-72.7	123.5	171.7	-80.7	165.9	-119.4	0	0	109.7	K575 R646	K575-E652 VanDerWaalsContact CD-OE1 3.29Å; K575-E652 WeakPolarHBondContact CD-OE1 3.45Å; K575-E652 WeakPolarHBondContact CD-OE2 3.32Å; K575-E652 IonicContact NZ-OE2 3.45Å; K575-E652 PolarHBondContact NZ-OE2 3.34Å; R646-E652 IonicContact CZ-OE1 3.31Å; R646-E652 IonicContact NH2-OE1 3.77Å; R646-E652 PolarHBondContact NH2-OE1 3.23Å
653	Q	62.2	Low	67.8	Low	160 Å²	160	83.5 Å²	83.5	75%	0.748	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-64.5	145	175.2	-67.4	175.1	-50.5	0	0	110.3	N550 V651	N550-Q653 PolarHBondContact ND2-O 3Å; V651-Q653 PolarHBondContact O-N 2.84Å
654	K	57.5	Low	67.2	Low	63 Å²	63	91.5 Å²	91.5	27%	0.274	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-77.7	128.3	173.5	-162.7	170.2	-173.9	-178.9	0	107.8	E547 S549 N550 E582 I656 E657	E547-K654 IonicContact OE2-NZ 2.78Å; E547-K654 PolarHBondContact OE2-NZ 3.34Å; S549-K654 WeakPolarHBondContact O-CE 3.24Å; N550-K654 WeakPolarHBondContact OD1-CA 3.49Å; E582-K654 IonicContact OE2-NZ 2.7Å; K654-I656 WeakPolarHBondContact CD-O 3.49Å; K654-I656 WeakPolarHBondContact CG-O 3.46Å; K654-I656 PolarHBondContact O-N 2.88Å; K654-E657 HydrophobicContact CB-CG 4.26Å
655	Y	52.8	Low	66.5	Low	195 Å²	195	95.1 Å²	95.1	77%	0.765	46%	0.462	S	S	*	.	S	Bend	trans	-71.5	-14.6	179.3	-63	-61.5	0	0	0	112.8	N550	N550-Y655 HydrophobicContact CB-CD2 4.12Å; N550-Y655 HydrophobicContact CB-CE2 4.4Å; N550-Y655 VanDerWaalsContact CG-CD2 3.46Å; N550-Y655 WeakPolarHBondContact OD1-CD2 3.01Å; N550-Y655 PolarHBondContact OD1-N 2.82Å
656	I	50.8	Low	66.1	Low	108 Å²	108	94.4 Å²	94.4	55%	0.554	46%	0.458	S	S	*	.			trans	-121.8	94.7	178.9	-53.9	173.7	0	0	0	107.5	K654	K654-I656 WeakPolarHBondContact CD-O 3.49Å; K654-I656 WeakPolarHBondContact CG-O 3.46Å; K654-I656 PolarHBondContact O-N 2.88Å
657	E	52.3	Low	65.7	Low	147 Å²	147	95.8 Å²	95.8	69%	0.687	47%	0.467	S	S	*	.			trans	-109.9	132.1	169.8	-68.2	-179.3	174.6	0	0	108.3	K654	K654-E657 HydrophobicContact CB-CG 4.26Å
658	E	56.3	Low	65.3	Low	139 Å²	139	99.4 Å²	99.4	65%	0.65	49%	0.486	S	S	*	.			trans	-75.2	137.8	174.5	-65.1	-165.2	170.5	0	0	110.3	K620	K620-E658 WeakPolarHBondContact CE-OE1 3.45Å; K620-E658 IonicContact NZ-OE1 2.68Å; K620-E658 PolarHBondContact NZ-OE1 2.83Å; K620-E658 IonicContact NZ-OE2 2.7Å; K620-E658 PolarHBondContact NZ-OE2 3.34Å
659	E	51.6	Low	65.3	Low	180 Å²	180	98.7 Å²	98.7	84%	0.841	48%	0.478	S	S	*	.			trans	-58.2	127.9	-178.3	-67	-171.8	158.2	0	0	111.6	K661	E659-K661 PolarHBondContact O-N 2.82Å
660	P	58.1	Low	65.4	Low	71 Å²	71	96.6 Å²	96.6	46%	0.461	47%	0.465	S	S	.	.			trans	-70	102	-173.9	26.8	-34.3	0	0	0	111.6	V662 I782	P660-V662 PolarHBondContact O-N 2.83Å; P660-I782 HydrophobicContact CG-CG2 4.01Å
661	K	67.6	Low	65.6	Low	179 Å²	179	99.1 Å²	99.1	78%	0.778	47%	0.471	S	S	*	.			trans	-63.7	132.4	174.4	-62.8	178.7	-176.4	175	0	110.5	E659 S663	E659-K661 PolarHBondContact O-N 2.82Å; K661-S663 PolarHBondContact O-N 2.76Å
662	V	65.7	Low	65.9	Low	63 Å²	63	98.6 Å²	98.6	38%	0.382	47%	0.466	S	S	.	.			trans	-67	117.3	171.3	176.7	0	0	0	0	108.8	P660 Q778 I782	P660-V662 PolarHBondContact O-N 2.83Å; V662-Q778 HydrophobicContact CG2-CG 3.82Å; V662-I782 HydrophobicContact CG2-CD1 4.02Å; V662-I782 HydrophobicContact CG2-CG1 3.32Å
663	S	69.8	Low	66.6	Low	30 Å²	30	95.8 Å²	95.8	21%	0.21	45%	0.453	C	S	.	.			trans	-121.3	127.6	170.7	166.1	0	0	0	0	109.7	K661 Q665 M666 L667	K661-S663 PolarHBondContact O-N 2.76Å; S663-Q665 VanDerWaalsContact C-N 3.29Å; S663-Q665 PolarHBondContact O-N 2.92Å; S663-Q665 PolarHBondContact OG-N 3.02Å; S663-M666 PolarHBondContact O-N 3.16Å; S663-M666 PolarHBondContact OG-N 2.97Å; S663-L667 PolarHBondContact O-N 2.79Å
664	K	69.4	Low	67.5	Low	168 Å²	168	88.7 Å²	88.7	73%	0.73	42%	0.42	S	S	*	.	H	α-helix	trans	-59.3	-40.1	175.9	-179.6	-170.2	168.6	-158.4	0	111.4	L668	K664-L668 WeakPolarHBondContact O-CB 3.4Å; K664-L668 PolarHBondContact O-N 3.46Å
665	Q	70.2	Confident	68.5	Low	87 Å²	87	92.1 Å²	92.1	41%	0.407	43%	0.431	S	S	.	.	H	α-helix	trans	-63.4	-47.6	175.1	-70.7	157.2	-56.9	0	0	110.6	S663 L667 L668 R669	S663-Q665 VanDerWaalsContact C-N 3.29Å; S663-Q665 PolarHBondContact O-N 2.92Å; S663-Q665 PolarHBondContact OG-N 3.02Å; Q665-L667 VanDerWaalsContact C-N 3.34Å; Q665-L667 PolarHBondContact O-N 2.68Å; Q665-L668 PolarHBondContact O-N 2.7Å; Q665-R669 VanDerWaalsContact O-CB 3.29Å; Q665-R669 WeakPolarHBondContact O-CB 3.18Å; Q665-R669 PolarHBondContact O-N 2.95Å
666	M	71.3	Confident	69.8	Low	62 Å²	62	87.9 Å²	87.9	31%	0.305	41%	0.414	S	S	.	.	H	α-helix	trans	-60.8	-41.5	179.4	-66.8	-64.5	166.5	0	0	112.4	S663 R669 N670	S663-M666 PolarHBondContact O-N 3.16Å; S663-M666 PolarHBondContact OG-N 2.97Å; M666-R669 PolarHBondContact SD-NH2 2.9Å; M666-N670 VanDerWaalsContact O-CB 3.3Å; M666-N670 WeakPolarHBondContact O-CB 3.45Å; M666-N670 PolarHBondContact O-N 3.48Å; M666-N670 PolarHBondContact O-OD1 2.98Å
667	L	75	Confident	70.9	Confident	55 Å²	55	85 Å²	85	29%	0.288	40%	0.403	S	S	.	.	H	α-helix	trans	-65.1	-43.2	175.6	-167.1	156.1	0	0	0	111.7	S663 Q665 N670 F671 Q785	S663-L667 PolarHBondContact O-N 2.79Å; Q665-L667 VanDerWaalsContact C-N 3.34Å; Q665-L667 PolarHBondContact O-N 2.68Å; L667-N670 PolarHBondContact O-N 3.16Å; L667-F671 WeakPolarHBondContact O-CB 3.46Å; L667-F671 PolarHBondContact O-N 2.94Å; L667-Q785 HydrophobicContact CB-CG 4.49Å; L667-Q785 HydrophobicContact CD1-CB 4.46Å
668	L	75.4	Confident	72.3	Confident	76 Å²	76	82.1 Å²	82.1	40%	0.398	39%	0.392	S	S	.	.	H	α-helix	trans	-64.1	-45.7	176.6	-178.7	60.4	0	0	0	112.1	K664 Q665 N670 F671 N672	K664-L668 WeakPolarHBondContact O-CB 3.4Å; K664-L668 PolarHBondContact O-N 3.46Å; Q665-L668 PolarHBondContact O-N 2.7Å; L668-N670 PolarHBondContact O-N 2.91Å; L668-F671 PolarHBondContact O-N 3.03Å; L668-N672 WeakPolarHBondContact O-CB 3.3Å; L668-N672 PolarHBondContact O-N 3.42Å
669	R	76	Confident	73.4	Confident	52 Å²	52	80.3 Å²	80.3	20%	0.196	38%	0.384	C	S	.	.	H	α-helix	trans	-59	-45.1	176.2	-167.8	176	75.1	165.4	4	111.3	Q665 M666 N672 R673	Q665-R669 VanDerWaalsContact O-CB 3.29Å; Q665-R669 WeakPolarHBondContact O-CB 3.18Å; Q665-R669 PolarHBondContact O-N 2.95Å; M666-R669 PolarHBondContact SD-NH2 2.9Å; R669-N672 PolarHBondContact O-N 3.09Å; R669-R673 WeakPolarHBondContact O-CG 3.24Å; R669-R673 PolarHBondContact O-N 3.41Å
670	N	78.1	Confident	74.8	Confident	8 Å²	8	78.3 Å²	78.3	4%	0.043	37%	0.373	C	S	.	.	H	α-helix	trans	-69.3	-38.9	178.6	-67.7	-1.4	0	0	0	111.8	M666 L667 L668 N672 R673 V674 L788 D789	M666-N670 VanDerWaalsContact O-CB 3.3Å; M666-N670 WeakPolarHBondContact O-CB 3.45Å; M666-N670 PolarHBondContact O-N 3.48Å; M666-N670 PolarHBondContact O-OD1 2.98Å; L667-N670 PolarHBondContact O-N 3.16Å; L668-N670 PolarHBondContact O-N 2.91Å; N670-N672 VanDerWaalsContact C-N 3.34Å; N670-N672 PolarHBondContact O-N 3.24Å; N670-R673 PolarHBondContact O-N 2.84Å; N670-R673 PolarHBondContact OD1-NH1 3.12Å; N670-V674 WeakPolarHBondContact O-CG2 3.22Å; N670-V674 PolarHBondContact O-N 2.72Å; N670-L788 HydrophobicContact CB-CB 4.33Å; N670-D789 WeakPolarHBondContact ND2-CB 3.29Å
671	F	78.6	Confident	75.9	Confident	101 Å²	101	80.7 Å²	80.7	44%	0.443	38%	0.381	S	S	.	.	H	α-helix	trans	-60.7	-41.6	171	-178.5	-98.6	0	0	0	112.1	L667 L668 V674 R675	L667-F671 WeakPolarHBondContact O-CB 3.46Å; L667-F671 PolarHBondContact O-N 2.94Å; L668-F671 PolarHBondContact O-N 3.03Å; F671-V674 PolarHBondContact O-N 3.04Å; F671-R675 WeakPolarHBondContact O-CB 3.37Å; F671-R675 PolarHBondContact O-N 3.4Å
672	N	78	Confident	76.6	Confident	59 Å²	59	76.3 Å²	76.3	32%	0.316	37%	0.366	S	S	.	.	H	α-helix	trans	-67.6	-34.6	176.9	-76.1	-23.5	0	0	0	112.8	L668 R669 N670 R676	L668-N672 WeakPolarHBondContact O-CB 3.3Å; L668-N672 PolarHBondContact O-N 3.42Å; R669-N672 PolarHBondContact O-N 3.09Å; N670-N672 VanDerWaalsContact C-N 3.34Å; N670-N672 PolarHBondContact O-N 3.24Å; N672-R676 WeakPolarHBondContact O-CG 3.22Å; N672-R676 PolarHBondContact O-N 3.36Å; N672-R676 VanDerWaalsContact O-N 3.08Å
673	R	81.4	Confident	77.6	Confident	8 Å²	8	78.7 Å²	78.7	3%	0.03	38%	0.376	C	S	.	.	H	α-helix	trans	-62.4	-53.9	170.2	-70.9	161.7	63	-147.3	0.2	111.4	R669 N670 R675 R676 C677 D789 A792 E796	R669-R673 WeakPolarHBondContact O-CG 3.24Å; R669-R673 PolarHBondContact O-N 3.41Å; N670-R673 PolarHBondContact O-N 2.84Å; N670-R673 PolarHBondContact OD1-NH1 3.12Å; R673-R675 VanDerWaalsContact C-N 3.3Å; R673-R675 PolarHBondContact O-N 3.16Å; R673-R676 PolarHBondContact O-N 3.29Å; R673-R676 VanDerWaalsContact O-N 3.14Å; R673-C677 PolarHBondContact O-N 2.61Å; R673-D789 IonicContact CZ-OD1 2.67Å; R673-D789 IonicContact NH1-OD1 3.37Å; R673-D789 PolarHBondContact NH1-OD1 2.85Å; R673-D789 IonicContact NH2-OD1 3.46Å; R673-D789 PolarHBondContact NH2-OD1 2.86Å; R673-A792 HydrophobicContact CB-CB 3.81Å; R673-E796 IonicContact CZ-OE1 3.95Å; R673-E796 IonicContact CZ-OE2 3.47Å; R673-E796 IonicContact NE-OE1 2.73Å; R673-E796 PolarHBondContact NE-OE1 3.3Å; R673-E796 IonicContact NE-OE2 2.76Å; R673-E796 IonicContact NH2-OE1 2.84Å; R673-E796 PolarHBondContact NH2-OE1 2.95Å; R673-E796 IonicContact NH2-OE2 3.38Å; R673-E796 PolarHBondContact NH2-OE2 2.91Å
674	V	80.8	Confident	78.3	Confident	12 Å²	12	80 Å²	80	7%	0.073	38%	0.383	C	S	.	.	H	α-helix	trans	-57.9	-41.3	175.7	175.1	0	0	0	0	111.7	N670 F671 R676 C677 I678 L788 V791 A792	N670-V674 WeakPolarHBondContact O-CG2 3.22Å; N670-V674 PolarHBondContact O-N 2.72Å; F671-V674 PolarHBondContact O-N 3.04Å; V674-R676 PolarHBondContact O-N 2.96Å; V674-C677 PolarHBondContact O-N 3.45Å; V674-I678 HydrophobicContact CG1-CD1 3.64Å; V674-I678 HydrophobicContact CG1-CG1 4.21Å; V674-I678 WeakPolarHBondContact O-CG1 3.39Å; V674-I678 PolarHBondContact O-N 3.3Å; V674-L788 HydrophobicContact CB-CD2 4.43Å; V674-L788 HydrophobicContact CG1-CD2 4.42Å; V674-L788 HydrophobicContact CG2-CB 4.4Å; V674-L788 HydrophobicContact CG2-CD2 4.01Å; V674-L788 VanDerWaalsContact CG2-O 3.29Å; V674-L788 WeakPolarHBondContact CG2-O 3.45Å; V674-V791 HydrophobicContact CG1-CG1 4.33Å; V674-V791 HydrophobicContact CG2-CB 4.42Å; V674-V791 HydrophobicContact CG2-CG1 4.22Å; V674-A792 HydrophobicContact CG2-CB 3.87Å
675	R	80.3	Confident	79.1	Confident	134 Å²	134	73.8 Å²	73.8	51%	0.506	37%	0.366	S	S	.	.	H	α-helix	trans	-60.6	-40.2	177.3	179.9	178.6	173.1	179	-2.1	112.3	F671 R673 I678 M679	F671-R675 WeakPolarHBondContact O-CB 3.37Å; F671-R675 PolarHBondContact O-N 3.4Å; R673-R675 VanDerWaalsContact C-N 3.3Å; R673-R675 PolarHBondContact O-N 3.16Å; R675-I678 PolarHBondContact O-N 2.97Å; R675-M679 HydrophobicContact CG-CG 4.26Å; R675-M679 VanDerWaalsContact O-CB 3.31Å; R675-M679 WeakPolarHBondContact O-CB 3.39Å; R675-M679 WeakPolarHBondContact O-CG 3.47Å; R675-M679 PolarHBondContact O-N 3.43Å
676	R	78.5	Confident	79.8	Confident	107 Å²	107	73.2 Å²	73.2	40%	0.404	37%	0.371	S	S	.	.	H	α-helix	trans	-61.4	-47.8	174.9	-76.5	-173.1	-73.6	170.3	-2.7	111.1	N672 R673 V674 I678 M679 F680	N672-R676 WeakPolarHBondContact O-CG 3.22Å; N672-R676 PolarHBondContact O-N 3.36Å; N672-R676 VanDerWaalsContact O-N 3.08Å; R673-R676 PolarHBondContact O-N 3.29Å; R673-R676 VanDerWaalsContact O-N 3.14Å; V674-R676 PolarHBondContact O-N 2.96Å; R676-I678 PolarHBondContact O-N 3.49Å; R676-M679 PolarHBondContact O-N 2.91Å; R676-F680 PolarHBondContact O-N 3.16Å
677	C	74.6	Confident	80.5	Confident	47 Å²	47	76.3 Å²	76.3	32%	0.318	38%	0.38	S	S	.	.	H	α-helix	trans	-60	-45.6	177	-59	0	0	0	0	112.6	R673 V674 F680 L681	R673-C677 PolarHBondContact O-N 2.61Å; V674-C677 PolarHBondContact O-N 3.45Å; C677-F680 PolarHBondContact O-N 3.41Å; C677-L681 PolarHBondContact O-N 3.25Å
678	I	81.4	Confident	81.1	Confident	87 Å²	87	77.7 Å²	77.7	45%	0.446	39%	0.387	S	S	.	.	H	α-helix	trans	-66.3	-40.3	178.3	-68.5	176.1	0	0	0	111.4	V674 R675 R676 F680 L681 I682	V674-I678 HydrophobicContact CG1-CD1 3.64Å; V674-I678 HydrophobicContact CG1-CG1 4.21Å; V674-I678 WeakPolarHBondContact O-CG1 3.39Å; V674-I678 PolarHBondContact O-N 3.3Å; R675-I678 PolarHBondContact O-N 2.97Å; R676-I678 PolarHBondContact O-N 3.49Å; I678-F680 VanDerWaalsContact C-N 3.33Å; I678-F680 PolarHBondContact O-N 3.24Å; I678-L681 PolarHBondContact O-N 3.48Å; I678-I682 HydrophobicContact CG2-CD1 3.72Å; I678-I682 HydrophobicContact CG2-CG1 4.26Å; I678-I682 WeakPolarHBondContact O-CG1 3.45Å; I678-I682 PolarHBondContact O-N 3.29Å
679	M	80.3	Confident	81.6	Confident	101 Å²	101	77.6 Å²	77.6	50%	0.498	39%	0.387	S	S	.	.	H	α-helix	trans	-65.5	-34.8	177.9	-75.7	-69	172.7	0	0	112.6	R675 R676 I682 N683	R675-M679 HydrophobicContact CG-CG 4.26Å; R675-M679 VanDerWaalsContact O-CB 3.31Å; R675-M679 WeakPolarHBondContact O-CB 3.39Å; R675-M679 WeakPolarHBondContact O-CG 3.47Å; R675-M679 PolarHBondContact O-N 3.43Å; R676-M679 PolarHBondContact O-N 2.91Å; M679-I682 PolarHBondContact O-N 2.85Å; M679-I682 HydrophobicContact SD-CD1 4.45Å; M679-N683 VanDerWaalsContact O-CB 3.31Å; M679-N683 WeakPolarHBondContact O-CB 3.48Å; M679-N683 PolarHBondContact O-N 2.95Å
680	F	79.9	Confident	82.3	Confident	138 Å²	138	75.9 Å²	75.9	61%	0.605	38%	0.383	S	S	*	.	H	α-helix	trans	-60.9	-48.7	170.8	179.3	-96	0	0	0	111.3	R676 C677 I678 I682 N683 T684	R676-F680 PolarHBondContact O-N 3.16Å; C677-F680 PolarHBondContact O-N 3.41Å; I678-F680 VanDerWaalsContact C-N 3.33Å; I678-F680 PolarHBondContact O-N 3.24Å; F680-I682 PolarHBondContact O-N 2.99Å; F680-N683 PolarHBondContact O-N 3.48Å; F680-T684 PolarHBondContact O-N 2.84Å; F680-T684 PolarHBondContact O-OG1 3.41Å
681	L	80.9	Confident	82.7	Confident	120 Å²	120	76.3 Å²	76.3	63%	0.628	39%	0.386	S	S	*	.	H	α-helix	trans	-61.4	-41	177.4	-66.7	173	0	0	0	112.7	C677 I678 T684 G685	C677-L681 PolarHBondContact O-N 3.25Å; I678-L681 PolarHBondContact O-N 3.48Å; L681-T684 PolarHBondContact O-N 2.87Å; L681-G685 PolarHBondContact O-N 2.92Å
682	I	83.8	Confident	83.1	Confident	88 Å²	88	78.9 Å²	78.9	45%	0.451	40%	0.397	S	S	.	.	H	α-helix	trans	-63.2	-46.3	175	-69.1	169.7	0	0	0	110.3	I678 M679 F680 T684 G685 C686	I678-I682 HydrophobicContact CG2-CD1 3.72Å; I678-I682 HydrophobicContact CG2-CG1 4.26Å; I678-I682 WeakPolarHBondContact O-CG1 3.45Å; I678-I682 PolarHBondContact O-N 3.29Å; M679-I682 PolarHBondContact O-N 2.85Å; M679-I682 HydrophobicContact SD-CD1 4.45Å; F680-I682 PolarHBondContact O-N 2.99Å; I682-T684 PolarHBondContact O-N 2.88Å; I682-G685 PolarHBondContact O-N 3.41Å; I682-C686 WeakPolarHBondContact O-CB 3.47Å; I682-C686 PolarHBondContact O-N 2.89Å; I682-C686 PolarHBondContact O-SG 3.5Å
683	N	85.1	Confident	83.6	Confident	112 Å²	112	82 Å²	82	60%	0.599	41%	0.41	S	S	*	.	H	α-helix	trans	-61.9	-42.8	178.6	-171.5	31.3	0	0	0	111.9	M679 F680 C686 Y687	M679-N683 VanDerWaalsContact O-CB 3.31Å; M679-N683 WeakPolarHBondContact O-CB 3.48Å; M679-N683 PolarHBondContact O-N 2.95Å; F680-N683 PolarHBondContact O-N 3.48Å; N683-C686 PolarHBondContact O-N 3.07Å; N683-Y687 WeakPolarHBondContact O-CB 3.06Å; N683-Y687 PolarHBondContact O-N 3.49Å
684	T	84.6	Confident	83.9	Confident	58 Å²	58	87.8 Å²	87.8	36%	0.356	43%	0.432	S	S	.	.	H	α-helix	trans	-61.9	-42.2	173.1	-54.2	0	0	0	0	111.8	F680 L681 I682 Y687 I688	F680-T684 PolarHBondContact O-N 2.84Å; F680-T684 PolarHBondContact O-OG1 3.41Å; L681-T684 PolarHBondContact O-N 2.87Å; I682-T684 PolarHBondContact O-N 2.88Å; T684-Y687 PolarHBondContact O-N 2.85Å; T684-I688 HydrophobicContact CG2-CD1 4.12Å; T684-I688 WeakPolarHBondContact O-CG1 3.4Å; T684-I688 PolarHBondContact O-N 2.93Å
685	G	86.3	Confident	84.2	Confident	37 Å²	37	93.9 Å²	93.9	38%	0.381	46%	0.46	S	S	.	.	H	α-helix	trans	-62	-44.4	174.7	0	0	0	0	0	113	L681 I682 I688 N689	L681-G685 PolarHBondContact O-N 2.92Å; I682-G685 PolarHBondContact O-N 3.41Å; G685-I688 PolarHBondContact O-N 2.84Å; G685-N689 WeakPolarHBondContact O-CB 3.46Å; G685-N689 PolarHBondContact O-N 3.44Å
686	C	85.4	Confident	84.6	Confident	75 Å²	75	88.9 Å²	88.9	51%	0.507	45%	0.446	S	S	.	.	H	α-helix	trans	-63.4	-39.5	174.4	-69.4	0	0	0	0	112.2	I682 N683 N689 S690	I682-C686 WeakPolarHBondContact O-CB 3.47Å; I682-C686 PolarHBondContact O-N 2.89Å; I682-C686 PolarHBondContact O-SG 3.5Å; N683-C686 PolarHBondContact O-N 3.07Å; C686-N689 PolarHBondContact O-N 2.85Å; C686-S690 WeakPolarHBondContact O-CB 3.42Å; C686-S690 PolarHBondContact O-N 2.87Å
687	Y	86.8	Confident	85.1	Confident	127 Å²	127	87.5 Å²	87.5	50%	0.498	45%	0.45	S	S	.	.	H	α-helix	trans	-63.3	-41.9	175	-178.8	-87.7	0	0	0	112.2	N683 T684 S690 C691	N683-Y687 WeakPolarHBondContact O-CB 3.06Å; N683-Y687 PolarHBondContact O-N 3.49Å; T684-Y687 PolarHBondContact O-N 2.85Å; Y687-S690 WeakPolarHBondContact O-CB 3.4Å; Y687-S690 PolarHBondContact O-N 3.48Å; Y687-C691 PolarHBondContact O-N 3.23Å; Y687-C691 VanDerWaalsContact O-N 3.13Å; Y687-C691 PolarHBondContact O-SG 3.01Å
688	I	86.4	Confident	85.8	Confident	84 Å²	84	93.1 Å²	93.1	43%	0.431	47%	0.472	S	S	.	.	H	α-helix	trans	-64.1	-42.8	174.2	-68.7	164.3	0	0	0	110.5	T684 G685 C691 F692	T684-I688 HydrophobicContact CG2-CD1 4.12Å; T684-I688 WeakPolarHBondContact O-CG1 3.4Å; T684-I688 PolarHBondContact O-N 2.93Å; G685-I688 PolarHBondContact O-N 2.84Å; I688-C691 WeakPolarHBondContact O-CB 3.26Å; I688-C691 PolarHBondContact O-N 2.98Å; I688-F692 HydrophobicContact CG2-CD2 4Å; I688-F692 HydrophobicContact CG2-CE2 3.44Å; I688-F692 VanDerWaalsContact CG2-CE2 3.44Å; I688-F692 HydrophobicContact CG2-CZ 3.96Å; I688-F692 WeakPolarHBondContact O-CD2 3.35Å; I688-F692 PolarHBondContact O-N 3.43Å; I688-F692 VanDerWaalsContact O-N 3.13Å
689	N	87.8	Confident	86.1	Confident	75 Å²	75	95.5 Å²	95.5	40%	0.401	48%	0.475	S	S	.	.	H	α-helix	trans	-63.3	-42.8	177	-159.8	78.4	0	0	0	112	G685 C686 C691 F692 E693	G685-N689 WeakPolarHBondContact O-CB 3.46Å; G685-N689 PolarHBondContact O-N 3.44Å; C686-N689 PolarHBondContact O-N 2.85Å; N689-C691 PolarHBondContact O-N 2.9Å; N689-F692 CarbonylContact O-C 3.39Å; N689-F692 WeakPolarHBondContact O-CA 3.34Å; N689-F692 PolarHBondContact O-N 3.11Å; N689-E693 PolarHBondContact ND2-OE1 2.89Å; N689-E693 PolarHBondContact ND2-OE2 3.44Å; N689-E693 PolarHBondContact O-N 2.69Å
690	S	89.1	Confident	86.6	Confident	16 Å²	16	90.8 Å²	90.8	11%	0.112	45%	0.452	C	S	.	.	H	α-helix	trans	-55.9	-36.8	172.9	-176.5	0	0	0	0	112.6	C686 Y687 W694 E695	C686-S690 WeakPolarHBondContact O-CB 3.42Å; C686-S690 PolarHBondContact O-N 2.87Å; Y687-S690 WeakPolarHBondContact O-CB 3.4Å; Y687-S690 PolarHBondContact O-N 3.48Å; S690-W694 PolarHBondContact O-N 3.4Å; S690-E695 WeakPolarHBondContact CB-OE2 3.38Å; S690-E695 PolarHBondContact O-N 2.87Å; S690-E695 PolarHBondContact OG-OE2 3.08Å
691	C	87.2	Confident	87.2	Confident	16 Å²	16	88.6 Å²	88.6	11%	0.108	45%	0.446	C	S	.	.	H	α-helix	trans	-74.2	-24.8	174.1	-62.8	0	0	0	0	113.7	Y687 I688 N689 S700 A703	Y687-C691 PolarHBondContact O-N 3.23Å; Y687-C691 VanDerWaalsContact O-N 3.13Å; Y687-C691 PolarHBondContact O-SG 3.01Å; I688-C691 WeakPolarHBondContact O-CB 3.26Å; I688-C691 PolarHBondContact O-N 2.98Å; N689-C691 PolarHBondContact O-N 2.9Å; C691-S700 WeakPolarHBondContact O-CB 3.44Å; C691-S700 PolarHBondContact O-OG 3.28Å; C691-A703 HydrophobicContact CB-CB 4.35Å
692	F	86.1	Confident	87.6	Confident	155 Å²	155	86.2 Å²	86.2	68%	0.68	44%	0.438	S	S	*	.	H	α-helix	trans	-85.9	-26.4	173	-65.9	-38.5	0	0	0	113.3	I688 N689 W694	I688-F692 HydrophobicContact CG2-CD2 4Å; I688-F692 HydrophobicContact CG2-CE2 3.44Å; I688-F692 VanDerWaalsContact CG2-CE2 3.44Å; I688-F692 HydrophobicContact CG2-CZ 3.96Å; I688-F692 WeakPolarHBondContact O-CD2 3.35Å; I688-F692 PolarHBondContact O-N 3.43Å; I688-F692 VanDerWaalsContact O-N 3.13Å; N689-F692 CarbonylContact O-C 3.39Å; N689-F692 WeakPolarHBondContact O-CA 3.34Å; N689-F692 PolarHBondContact O-N 3.11Å; F692-W694 VanDerWaalsContact C-N 3.34Å; F692-W694 VanDerWaalsContact O-CD1 3.27Å
693	E	88.7	Confident	87.8	Confident	124 Å²	124	84 Å²	84	58%	0.579	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-1.9	176.6	-71.4	175.1	169.7	0	0	113.1	N689 E695	N689-E693 PolarHBondContact ND2-OE1 2.89Å; N689-E693 PolarHBondContact ND2-OE2 3.44Å; N689-E693 PolarHBondContact O-N 2.69Å; E693-E695 VanDerWaalsContact C-N 3.25Å; E693-E695 HydrophobicContact CB-CG 4.37Å; E693-E695 PolarHBondContact O-N 2.89Å
694	W	89.4	Confident	88	Confident	130 Å²	130	84.4 Å²	84.4	49%	0.492	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.2	22.2	175.9	-67.6	72.1	0	0	0	115.4	S690 F692 S696 S700 I701	S690-W694 PolarHBondContact O-N 3.4Å; F692-W694 VanDerWaalsContact C-N 3.34Å; F692-W694 VanDerWaalsContact O-CD1 3.27Å; W694-S696 PolarHBondContact O-N 2.93Å; W694-S700 WeakPolarHBondContact CA-OG 3.3Å; W694-I701 HydrophobicContact CH2-CG1 4.12Å; W694-I701 HydrophobicContact CZ3-CG1 3.65Å
695	E	86.4	Confident	88.3	Confident	141 Å²	141	85 Å²	85	66%	0.659	43%	0.434	S	S	*	.	S	Bend	trans	-54.6	-31.4	-180	-62	-170.9	121.7	0	0	113.1	S690 E693	S690-E695 WeakPolarHBondContact CB-OE2 3.38Å; S690-E695 PolarHBondContact O-N 2.87Å; S690-E695 PolarHBondContact OG-OE2 3.08Å; E693-E695 VanDerWaalsContact C-N 3.25Å; E693-E695 HydrophobicContact CB-CG 4.37Å; E693-E695 PolarHBondContact O-N 2.89Å
696	S	88.1	Confident	88.4	Confident	29 Å²	29	87.9 Å²	87.9	20%	0.203	44%	0.439	C	S	.	.	S	Bend	trans	-123.4	106.7	168.2	-177.2	0	0	0	0	109.6	W694 Q698 R699 S700	W694-S696 PolarHBondContact O-N 2.93Å; S696-Q698 VanDerWaalsContact C-N 3.31Å; S696-Q698 PolarHBondContact O-N 3.46Å; S696-R699 PolarHBondContact O-N 2.78Å; S696-S700 WeakPolarHBondContact O-CB 3.46Å; S696-S700 PolarHBondContact O-N 3.11Å; S696-S700 PolarHBondContact O-OG 3.45Å
697	P	89.3	Confident	88.6	Confident	77 Å²	77	90.4 Å²	90.4	50%	0.5	44%	0.441	S	S	.	.	H	α-helix	trans	-63.8	-36	-175.6	22.6	-32.8	0	0	0	112.2	S700 I701	P697-S700 PolarHBondContact O-N 2.95Å; P697-I701 WeakPolarHBondContact O-CB 3.43Å; P697-I701 WeakPolarHBondContact O-CD1 3.35Å; P697-I701 WeakPolarHBondContact O-CG1 3.47Å; P697-I701 PolarHBondContact O-N 2.84Å
698	Q	89.3	Confident	88.7	Confident	165 Å²	165	87.3 Å²	87.3	77%	0.771	44%	0.436	S	S	*	.	H	α-helix	trans	-62	-45	177.3	-68.6	177.1	-16	0	0	112.5	S696 C702	S696-Q698 VanDerWaalsContact C-N 3.31Å; S696-Q698 PolarHBondContact O-N 3.46Å; Q698-C702 WeakPolarHBondContact O-CB 3.31Å; Q698-C702 PolarHBondContact O-N 3.43Å
699	R	86.9	Confident	88.7	Confident	138 Å²	138	88.1 Å²	88.1	52%	0.521	44%	0.44	S	S	.	.	H	α-helix	trans	-67.1	-42.6	176.9	-64.1	178.6	-175.6	165.7	1.4	111.3	S696 C702 A703	S696-R699 PolarHBondContact O-N 2.78Å; R699-C702 PolarHBondContact O-N 2.97Å; R699-A703 WeakPolarHBondContact O-CB 3.26Å; R699-A703 PolarHBondContact O-N 3.28Å
700	S	91.8	Very high	88.7	Confident	2 Å²	2	88.2 Å²	88.2	1%	0.014	44%	0.443	C	S	.	.	H	α-helix	trans	-68.7	-40.7	-176.2	-49	0	0	0	0	112.1	C691 W694 S696 P697 A703 F704	C691-S700 WeakPolarHBondContact O-CB 3.44Å; C691-S700 PolarHBondContact O-OG 3.28Å; W694-S700 WeakPolarHBondContact CA-OG 3.3Å; S696-S700 WeakPolarHBondContact O-CB 3.46Å; S696-S700 PolarHBondContact O-N 3.11Å; S696-S700 PolarHBondContact O-OG 3.45Å; P697-S700 PolarHBondContact O-N 2.95Å; S700-A703 PolarHBondContact O-N 3.13Å; S700-F704 VanDerWaalsContact O-CB 3.23Å; S700-F704 WeakPolarHBondContact O-CB 3.29Å; S700-F704 PolarHBondContact O-N 3.14Å
701	I	92.3	Very high	88.6	Confident	92 Å²	92	91.5 Å²	91.5	47%	0.472	46%	0.462	S	S	.	.	H	α-helix	trans	-61.2	-47.3	171.1	-68.1	166.1	0	0	0	110.4	W694 P697 F704 V705	W694-I701 HydrophobicContact CH2-CG1 4.12Å; W694-I701 HydrophobicContact CZ3-CG1 3.65Å; P697-I701 WeakPolarHBondContact O-CB 3.43Å; P697-I701 WeakPolarHBondContact O-CD1 3.35Å; P697-I701 WeakPolarHBondContact O-CG1 3.47Å; P697-I701 PolarHBondContact O-N 2.84Å; I701-F704 PolarHBondContact O-N 3.45Å; I701-V705 HydrophobicContact CG2-CG2 4.38Å; I701-V705 WeakPolarHBondContact O-CB 3.43Å; I701-V705 WeakPolarHBondContact O-CG2 3.28Å; I701-V705 PolarHBondContact O-N 2.77Å
702	C	89	Confident	88.7	Confident	70 Å²	70	101.1 Å²	101.1	47%	0.473	50%	0.497	S	S	.	.	H	α-helix	trans	-60.1	-48.8	179	-170.3	0	0	0	0	111.6	Q698 R699 F704 V705 I706	Q698-C702 WeakPolarHBondContact O-CB 3.31Å; Q698-C702 PolarHBondContact O-N 3.43Å; R699-C702 PolarHBondContact O-N 2.97Å; C702-F704 PolarHBondContact O-N 3.22Å; C702-V705 PolarHBondContact O-N 2.82Å; C702-I706 WeakPolarHBondContact O-CB 3.44Å; C702-I706 VanDerWaalsContact O-CG1 3.28Å; C702-I706 WeakPolarHBondContact O-CG1 3.36Å; C702-I706 PolarHBondContact O-N 3.37Å
703	A	87.9	Confident	88.7	Confident	41 Å²	41	98.3 Å²	98.3	34%	0.339	49%	0.488	S	S	.	.	H	α-helix	trans	-61.1	-40.5	176.6	0	0	0	0	0	112.5	C691 R699 S700 F707	C691-A703 HydrophobicContact CB-CB 4.35Å; R699-A703 WeakPolarHBondContact O-CB 3.26Å; R699-A703 PolarHBondContact O-N 3.28Å; S700-A703 PolarHBondContact O-N 3.13Å; A703-F707 WeakPolarHBondContact O-CB 3.27Å; A703-F707 PolarHBondContact O-N 3.1Å
704	F	89.1	Confident	88.6	Confident	120 Å²	120	97.7 Å²	97.7	53%	0.526	48%	0.484	S	S	.	.	H	α-helix	trans	-67.4	-40.3	177.3	179.6	-100.1	0	0	0	112.5	S700 I701 C702 T708	S700-F704 VanDerWaalsContact O-CB 3.23Å; S700-F704 WeakPolarHBondContact O-CB 3.29Å; S700-F704 PolarHBondContact O-N 3.14Å; I701-F704 PolarHBondContact O-N 3.45Å; C702-F704 PolarHBondContact O-N 3.22Å; F704-T708 WeakPolarHBondContact O-CB 3.35Å; F704-T708 PolarHBondContact O-N 3.24Å; F704-T708 PolarHBondContact O-OG1 2.84Å
705	V	91.3	Very high	88.5	Confident	72 Å²	72	96.7 Å²	96.7	44%	0.436	49%	0.485	S	S	.	.	H	α-helix	trans	-65.6	-46.2	175.2	169.4	0	0	0	0	110.6	I701 C702 T708 I709	I701-V705 HydrophobicContact CG2-CG2 4.38Å; I701-V705 WeakPolarHBondContact O-CB 3.43Å; I701-V705 WeakPolarHBondContact O-CG2 3.28Å; I701-V705 PolarHBondContact O-N 2.77Å; C702-V705 PolarHBondContact O-N 2.82Å; V705-T708 PolarHBondContact O-N 2.98Å; V705-I709 HydrophobicContact CG1-CD1 3.74Å; V705-I709 VanDerWaalsContact O-CG1 3.31Å; V705-I709 WeakPolarHBondContact O-CG1 3.44Å; V705-I709 PolarHBondContact O-N 3.33Å
706	I	88.6	Confident	88.4	Confident	96 Å²	96	93.9 Å²	93.9	49%	0.492	47%	0.474	S	S	.	.	H	α-helix	trans	-59.7	-49.4	175.3	-69.1	166.4	0	0	0	110.6	C702 T708 I709 V710	C702-I706 WeakPolarHBondContact O-CB 3.44Å; C702-I706 VanDerWaalsContact O-CG1 3.28Å; C702-I706 WeakPolarHBondContact O-CG1 3.36Å; C702-I706 PolarHBondContact O-N 3.37Å; I706-T708 VanDerWaalsContact C-N 3.34Å; I706-T708 PolarHBondContact O-N 3.46Å; I706-I709 PolarHBondContact O-N 3.43Å; I706-V710 HydrophobicContact CG2-CG2 4.19Å; I706-V710 WeakPolarHBondContact O-CB 3.41Å; I706-V710 VanDerWaalsContact O-CG2 3.28Å; I706-V710 WeakPolarHBondContact O-CG2 3.42Å; I706-V710 PolarHBondContact O-N 3.43Å
707	F	88.8	Confident	88.3	Confident	128 Å²	128	94.5 Å²	94.5	56%	0.561	47%	0.472	S	S	*	.	H	α-helix	trans	-55.3	-47.6	176.1	171.8	-98.8	0	0	0	111.9	A703 I709 V710 V711	A703-F707 WeakPolarHBondContact O-CB 3.27Å; A703-F707 PolarHBondContact O-N 3.1Å; F707-I709 PolarHBondContact O-N 2.9Å; F707-V710 PolarHBondContact O-N 2.87Å; F707-V711 HydrophobicContact CD2-CG2 3.96Å; F707-V711 HydrophobicContact CE1-CG2 4.32Å; F707-V711 HydrophobicContact CE2-CG2 3.62Å; F707-V711 HydrophobicContact CG-CG2 4.45Å; F707-V711 HydrophobicContact CZ-CG2 3.82Å; F707-V711 WeakPolarHBondContact O-CB 3.27Å; F707-V711 WeakPolarHBondContact O-CG2 3.34Å; F707-V711 PolarHBondContact O-N 3.19Å
708	T	88.8	Confident	88.2	Confident	63 Å²	63	94 Å²	94	39%	0.387	46%	0.464	S	S	.	.	H	α-helix	trans	-61.2	-46	179.4	-54.3	0	0	0	0	111.5	F704 V705 I706 W712	F704-T708 WeakPolarHBondContact O-CB 3.35Å; F704-T708 PolarHBondContact O-N 3.24Å; F704-T708 PolarHBondContact O-OG1 2.84Å; V705-T708 PolarHBondContact O-N 2.98Å; I706-T708 VanDerWaalsContact C-N 3.34Å; I706-T708 PolarHBondContact O-N 3.46Å; T708-W712 VanDerWaalsContact O-CB 3.27Å; T708-W712 WeakPolarHBondContact O-CB 3.39Å; T708-W712 PolarHBondContact O-N 3.22Å
709	I	87.4	Confident	88.1	Confident	101 Å²	101	90.2 Å²	90.2	52%	0.518	45%	0.448	S	S	.	.	H	α-helix	trans	-64.5	-44.8	178.1	-68.4	167.1	0	0	0	111	V705 I706 F707 N713	V705-I709 HydrophobicContact CG1-CD1 3.74Å; V705-I709 VanDerWaalsContact O-CG1 3.31Å; V705-I709 WeakPolarHBondContact O-CG1 3.44Å; V705-I709 PolarHBondContact O-N 3.33Å; I706-I709 PolarHBondContact O-N 3.43Å; F707-I709 PolarHBondContact O-N 2.9Å; I709-N713 PolarHBondContact O-N 2.8Å; I709-N713 PolarHBondContact O-ND2 3.37Å
710	V	86.8	Confident	88.1	Confident	77 Å²	77	84.5 Å²	84.5	47%	0.467	43%	0.429	S	S	.	.	H	α-helix	trans	-63.2	-50.9	180	168.5	0	0	0	0	110.7	I706 F707 W712 N713 F714	I706-V710 HydrophobicContact CG2-CG2 4.19Å; I706-V710 WeakPolarHBondContact O-CB 3.41Å; I706-V710 VanDerWaalsContact O-CG2 3.28Å; I706-V710 WeakPolarHBondContact O-CG2 3.42Å; I706-V710 PolarHBondContact O-N 3.43Å; F707-V710 PolarHBondContact O-N 2.87Å; V710-W712 VanDerWaalsContact C-N 3.33Å; V710-W712 PolarHBondContact O-N 3.49Å; V710-N713 CarbonylContact O-C 3.53Å; V710-N713 PolarHBondContact O-N 2.85Å; V710-F714 HydrophobicContact CG1-CD2 4.27Å; V710-F714 WeakPolarHBondContact O-CA 3.47Å; V710-F714 WeakPolarHBondContact O-CB 3.48Å; V710-F714 PolarHBondContact O-N 2.81Å
711	V	87.9	Confident	87.9	Confident	84 Å²	84	87.8 Å²	87.8	51%	0.509	45%	0.446	S	S	.	.	H	α-helix	trans	-64.7	-36.7	-178.4	172	0	0	0	0	112	F707 N713	F707-V711 HydrophobicContact CD2-CG2 3.96Å; F707-V711 HydrophobicContact CE1-CG2 4.32Å; F707-V711 HydrophobicContact CE2-CG2 3.62Å; F707-V711 HydrophobicContact CG-CG2 4.45Å; F707-V711 HydrophobicContact CZ-CG2 3.82Å; F707-V711 WeakPolarHBondContact O-CB 3.27Å; F707-V711 WeakPolarHBondContact O-CG2 3.34Å; F707-V711 PolarHBondContact O-N 3.19Å; V711-N713 VanDerWaalsContact C-N 3.29Å; V711-N713 PolarHBondContact O-N 3.07Å
712	W	89.9	Confident	87.6	Confident	219 Å²	219	86.1 Å²	86.1	83%	0.83	45%	0.446	S	S	*	.	H	α-helix	trans	-66.6	-30.1	177.2	-170.5	-81.7	0	0	0	113.2	T708 V710	T708-W712 VanDerWaalsContact O-CB 3.27Å; T708-W712 WeakPolarHBondContact O-CB 3.39Å; T708-W712 PolarHBondContact O-N 3.22Å; V710-W712 VanDerWaalsContact C-N 3.33Å; V710-W712 PolarHBondContact O-N 3.49Å
713	N	85.3	Confident	87.6	Confident	95 Å²	95	86.6 Å²	86.6	51%	0.508	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.6	25	-177.2	-57.9	-86.3	0	0	0	112.2	I709 V710 V711 E715	I709-N713 PolarHBondContact O-N 2.8Å; I709-N713 PolarHBondContact O-ND2 3.37Å; V710-N713 CarbonylContact O-C 3.53Å; V710-N713 PolarHBondContact O-N 2.85Å; V711-N713 VanDerWaalsContact C-N 3.29Å; V711-N713 PolarHBondContact O-N 3.07Å; N713-E715 PolarHBondContact O-N 3.29Å
714	F	86.9	Confident	87.6	Confident	111 Å²	111	85.7 Å²	85.7	49%	0.487	43%	0.433	S	S	.	.			trans	-81.9	102.1	-171.8	-169.2	-100.7	0	0	0	112.8	V710 I719	V710-F714 HydrophobicContact CG1-CD2 4.27Å; V710-F714 WeakPolarHBondContact O-CA 3.47Å; V710-F714 WeakPolarHBondContact O-CB 3.48Å; V710-F714 PolarHBondContact O-N 2.81Å; F714-I719 HydrophobicContact CE2-CG1 4.24Å; F714-I719 HydrophobicContact CZ-CD1 3.88Å; F714-I719 HydrophobicContact CZ-CG1 3.69Å
715	E	86.6	Confident	87.4	Confident	110 Å²	110	85.6 Å²	85.6	51%	0.514	44%	0.437	S	S	.	.			trans	-109.4	151.4	168.4	-65.6	-163.7	-107.8	0	0	111.7	N713 Y717 M718	N713-E715 PolarHBondContact O-N 3.29Å; E715-Y717 VanDerWaalsContact C-N 3.25Å; E715-Y717 HydrophobicContact CB-CD1 3.75Å; E715-Y717 HydrophobicContact CB-CE1 3.39Å; E715-Y717 VanDerWaalsContact CD-CE1 3.5Å; E715-Y717 HydrophobicContact CG-CE1 4.04Å; E715-Y717 PolarHBondContact O-N 3.04Å; E715-Y717 VanDerWaalsContact O-N 3.16Å; E715-Y717 PolarHBondContact OE1-OH 3.01Å; E715-M718 WeakPolarHBondContact O-CB 3.1Å; E715-M718 VanDerWaalsContact O-CG 3.31Å; E715-M718 WeakPolarHBondContact O-CG 3.46Å; E715-M718 PolarHBondContact O-N 3.44Å
716	L	83.7	Confident	87.2	Confident	81 Å²	81	84.6 Å²	84.6	42%	0.424	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-28	-170.6	-72.3	164.5	0	0	0	114.1	M718 I719 V824 L829	L716-M718 PolarHBondContact O-N 3.11Å; L716-I719 HydrophobicContact CD2-CD1 4.24Å; L716-I719 PolarHBondContact O-N 2.92Å; L716-V824 HydrophobicContact CB-CG1 3.57Å; L716-L829 HydrophobicContact CD1-CB 3.84Å; L716-L829 HydrophobicContact CD1-CD1 3.73Å; L716-L829 HydrophobicContact CD1-CG 4.4Å; L716-L829 HydrophobicContact CD2-CD1 4.29Å
717	Y	85.9	Confident	87	Confident	43 Å²	43	80.1 Å²	80.1	17%	0.169	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-14.5	175.9	67.8	-100	0	0	0	112.6	E715 I719 P720 L721 T821 Y825	E715-Y717 VanDerWaalsContact C-N 3.25Å; E715-Y717 HydrophobicContact CB-CD1 3.75Å; E715-Y717 HydrophobicContact CB-CE1 3.39Å; E715-Y717 VanDerWaalsContact CD-CE1 3.5Å; E715-Y717 HydrophobicContact CG-CE1 4.04Å; E715-Y717 PolarHBondContact O-N 3.04Å; E715-Y717 VanDerWaalsContact O-N 3.16Å; E715-Y717 PolarHBondContact OE1-OH 3.01Å; Y717-I719 PolarHBondContact O-N 3.28Å; Y717-P720 WeakPolarHBondContact O-CD 3.32Å; Y717-L721 WeakPolarHBondContact O-CB 3.46Å; Y717-L721 PolarHBondContact O-N 2.98Å; Y717-T821 HydrophobicContact CD2-CG2 4.39Å; Y717-Y825 AromaticContact CD1-CD2 3.75Å; Y717-Y825 HydrophobicContact CD1-CD2 3.75Å; Y717-Y825 AromaticContact CE1-CD2 3.69Å; Y717-Y825 HydrophobicContact CE1-CD2 3.69Å; Y717-Y825 HydrophobicContact CE1-CE2 4.19Å; Y717-Y825 HydrophobicContact CG-CD2 4.22Å
718	M	88	Confident	86.8	Confident	65 Å²	65	76.1 Å²	76.1	32%	0.32	40%	0.4	S	S	.	.	H	α-helix	trans	-68.5	-19.8	172.8	-60	-64	-169.7	0	0	112.4	E715 L716 L721 A722	E715-M718 WeakPolarHBondContact O-CB 3.1Å; E715-M718 VanDerWaalsContact O-CG 3.31Å; E715-M718 WeakPolarHBondContact O-CG 3.46Å; E715-M718 PolarHBondContact O-N 3.44Å; L716-M718 PolarHBondContact O-N 3.11Å; M718-L721 HydrophobicContact SD-CD2 3.88Å; M718-A722 VanDerWaalsContact O-CB 3.23Å; M718-A722 WeakPolarHBondContact O-CB 3.47Å; M718-A722 PolarHBondContact O-N 3.37Å
719	I	87.1	Confident	86.6	Confident	86 Å²	86	81.5 Å²	81.5	44%	0.441	41%	0.413	S	S	.	.	H	α-helix	trans	-69.4	-53.8	-179.4	-57.5	169.9	0	0	0	111.2	F714 L716 Y717 L721 A722 L723	F714-I719 HydrophobicContact CE2-CG1 4.24Å; F714-I719 HydrophobicContact CZ-CD1 3.88Å; F714-I719 HydrophobicContact CZ-CG1 3.69Å; L716-I719 HydrophobicContact CD2-CD1 4.24Å; L716-I719 PolarHBondContact O-N 2.92Å; Y717-I719 PolarHBondContact O-N 3.28Å; I719-L721 VanDerWaalsContact C-N 3.3Å; I719-L721 PolarHBondContact O-N 3.49Å; I719-A722 PolarHBondContact O-N 3.31Å; I719-L723 PolarHBondContact O-N 3.3Å
720	P	86.7	Confident	86.3	Confident	18 Å²	18	78.2 Å²	78.2	12%	0.117	40%	0.397	C	S	.	.	H	α-helix	trans	-62.5	-35.4	171.6	-23.2	34.9	0	0	0	113.1	Y717 A722 L723 L724 L817 A820	Y717-P720 WeakPolarHBondContact O-CD 3.32Å; P720-A722 PolarHBondContact O-N 3.36Å; P720-L723 PolarHBondContact O-N 3.41Å; P720-L723 VanDerWaalsContact O-N 3.17Å; P720-L724 PolarHBondContact O-N 3.43Å; P720-L724 VanDerWaalsContact O-N 3.09Å; P720-L817 HydrophobicContact CB-CD2 3.97Å; P720-A820 HydrophobicContact CB-CB 4.37Å; P720-A820 HydrophobicContact CG-CB 4.24Å
721	L	87.2	Confident	86.1	Confident	72 Å²	72	80.4 Å²	80.4	38%	0.377	40%	0.397	S	S	.	.	H	α-helix	trans	-64.2	-40	178.5	-170.4	66.4	0	0	0	112.3	Y717 M718 I719 L723 L724 L725	Y717-L721 WeakPolarHBondContact O-CB 3.46Å; Y717-L721 PolarHBondContact O-N 2.98Å; M718-L721 HydrophobicContact SD-CD2 3.88Å; I719-L721 VanDerWaalsContact C-N 3.3Å; I719-L721 PolarHBondContact O-N 3.49Å; L721-L723 PolarHBondContact O-N 3.09Å; L721-L724 HydrophobicContact CD1-CD1 4.31Å; L721-L724 WeakPolarHBondContact O-CB 3.33Å; L721-L724 PolarHBondContact O-N 3.17Å; L721-L724 VanDerWaalsContact O-N 3.1Å; L721-L725 PolarHBondContact O-N 2.75Å
722	A	87.2	Confident	85.8	Confident	57 Å²	57	81.4 Å²	81.4	47%	0.471	40%	0.399	S	S	.	.	H	α-helix	trans	-64.7	-27.3	175.2	0	0	0	0	0	112.9	M718 I719 P720 P726	M718-A722 VanDerWaalsContact O-CB 3.23Å; M718-A722 WeakPolarHBondContact O-CB 3.47Å; M718-A722 PolarHBondContact O-N 3.37Å; I719-A722 PolarHBondContact O-N 3.31Å; P720-A722 PolarHBondContact O-N 3.36Å; A722-P726 WeakPolarHBondContact O-CD 3.29Å
723	L	87.8	Confident	85.3	Confident	80 Å²	80	73.5 Å²	73.5	42%	0.419	37%	0.373	S	S	.	.	H	α-helix	trans	-79.7	-24.3	172.8	-63.8	174.9	0	0	0	112.9	I719 P720 L721 P726 F802 L817	I719-L723 PolarHBondContact O-N 3.3Å; P720-L723 PolarHBondContact O-N 3.41Å; P720-L723 VanDerWaalsContact O-N 3.17Å; L721-L723 PolarHBondContact O-N 3.09Å; L723-P726 WeakPolarHBondContact O-CD 3.26Å; L723-P726 WeakPolarHBondContact O-CG 3.18Å; L723-F802 HydrophobicContact CD2-CZ 4.49Å; L723-L817 HydrophobicContact CB-CD1 4.04Å; L723-L817 HydrophobicContact CB-CD2 4.25Å; L723-L817 HydrophobicContact CD1-CD2 4.25Å
724	L	87.9	Confident	84.7	Confident	22 Å²	22	72.7 Å²	72.7	12%	0.115	37%	0.367	C	S	.	.	H	α-helix	trans	-70.5	-31.1	171.1	-75	169.3	0	0	0	112.6	P720 L721 L727 A728 I814 L817 V818	P720-L724 PolarHBondContact O-N 3.43Å; P720-L724 VanDerWaalsContact O-N 3.09Å; L721-L724 HydrophobicContact CD1-CD1 4.31Å; L721-L724 WeakPolarHBondContact O-CB 3.33Å; L721-L724 PolarHBondContact O-N 3.17Å; L721-L724 VanDerWaalsContact O-N 3.1Å; L724-L727 PolarHBondContact O-N 3.14Å; L724-A728 WeakPolarHBondContact O-CB 3.17Å; L724-A728 PolarHBondContact O-N 3.34Å; L724-I814 HydrophobicContact CD2-CB 4.11Å; L724-I814 HydrophobicContact CD2-CG1 3.95Å; L724-I814 HydrophobicContact CD2-CG2 3.97Å; L724-L817 HydrophobicContact CD1-CB 4.14Å; L724-L817 HydrophobicContact CD2-CB 3.69Å; L724-L817 HydrophobicContact CD2-CD1 3.99Å; L724-L817 HydrophobicContact CG-CB 3.75Å; L724-L817 HydrophobicContact CG-CD1 4.17Å; L724-V818 HydrophobicContact CD1-CG2 3.71Å; L724-V818 HydrophobicContact CD2-CG2 4.3Å
725	L	86.7	Confident	83.9	Confident	118 Å²	118	71 Å²	71	62%	0.618	37%	0.374	S	S	*	.	H	α-helix	trans	-56.3	-52.5	-179.9	-67.1	177.1	0	0	0	114.1	L721 L727 A728 W729	L721-L725 PolarHBondContact O-N 2.75Å; L725-L727 PolarHBondContact O-N 3.22Å; L725-A728 PolarHBondContact O-N 3.3Å; L725-W729 VanDerWaalsContact O-CB 3.27Å; L725-W729 WeakPolarHBondContact O-CB 3.27Å; L725-W729 PolarHBondContact O-N 2.92Å
726	P	85.1	Confident	83.3	Confident	50 Å²	50	70 Å²	70	33%	0.325	38%	0.379	S	S	.	.	H	α-helix	trans	-66.8	-33.5	177.1	25.4	-34.4	0	0	0	113.2	A722 L723 W729 N730 F802	A722-P726 WeakPolarHBondContact O-CD 3.29Å; L723-P726 WeakPolarHBondContact O-CD 3.26Å; L723-P726 WeakPolarHBondContact O-CG 3.18Å; P726-W729 PolarHBondContact O-N 3.22Å; P726-N730 WeakPolarHBondContact O-CB 3.5Å; P726-N730 PolarHBondContact O-N 3.43Å; P726-F802 HydrophobicContact CB-CD1 4.18Å; P726-F802 HydrophobicContact CB-CE1 4.48Å; P726-F802 HydrophobicContact CG-CD1 3.99Å; P726-F802 HydrophobicContact CG-CE1 3.8Å
727	L	84.8	Confident	82.2	Confident	2 Å²	2	69.2 Å²	69.2	1%	0.01	39%	0.391	C	S	.	.	H	α-helix	trans	-61.5	-48.4	173.8	-79.6	162.9	0	0	0	111.3	L724 L725 Y731 T801 F802 W804 I814 L817	L724-L727 PolarHBondContact O-N 3.14Å; L725-L727 PolarHBondContact O-N 3.22Å; L727-Y731 WeakPolarHBondContact O-CB 3.5Å; L727-Y731 PolarHBondContact O-N 2.89Å; L727-T801 WeakPolarHBondContact CD2-O 3.37Å; L727-F802 HydrophobicContact CD1-CD1 4.47Å; L727-F802 HydrophobicContact CD1-CE1 4.14Å; L727-F802 HydrophobicContact CD2-CD1 3.93Å; L727-F802 HydrophobicContact CD2-CE1 4.39Å; L727-F802 HydrophobicContact CG-CD1 3.66Å; L727-F802 HydrophobicContact CG-CE1 3.78Å; L727-W804 PolarHBondContact O-NE1 3.06Å; L727-I814 HydrophobicContact CB-CD1 4.26Å; L727-I814 HydrophobicContact CB-CG1 4.17Å; L727-I814 HydrophobicContact CD1-CG1 4Å; L727-L817 HydrophobicContact CD1-CD1 3.68Å
728	A	84.3	Confident	80.8	Confident	45 Å²	45	76.3 Å²	76.3	37%	0.372	42%	0.417	S	S	.	.	H	α-helix	trans	-68.5	-38.4	178.1	0	0	0	0	0	112.4	L724 L725 Y731 I732	L724-A728 WeakPolarHBondContact O-CB 3.17Å; L724-A728 PolarHBondContact O-N 3.34Å; L725-A728 PolarHBondContact O-N 3.3Å; A728-Y731 WeakPolarHBondContact O-CB 2.99Å; A728-Y731 PolarHBondContact O-N 3.13Å; A728-I732 WeakPolarHBondContact O-CD1 3.28Å; A728-I732 VanDerWaalsContact O-CG1 3.28Å; A728-I732 WeakPolarHBondContact O-CG1 3.35Å; A728-I732 PolarHBondContact O-N 3.33Å
729	W	84.7	Confident	78.7	Confident	176 Å²	176	78 Å²	78	67%	0.667	43%	0.428	S	S	*	.	H	α-helix	trans	-63.1	-47.4	176	-178	-93.4	0	0	0	111.9	L725 P726 Y731 I732 L733	L725-W729 VanDerWaalsContact O-CB 3.27Å; L725-W729 WeakPolarHBondContact O-CB 3.27Å; L725-W729 PolarHBondContact O-N 2.92Å; P726-W729 PolarHBondContact O-N 3.22Å; W729-Y731 VanDerWaalsContact C-N 3.33Å; W729-Y731 PolarHBondContact O-N 3.03Å; W729-I732 PolarHBondContact O-N 2.99Å; W729-L733 WeakPolarHBondContact O-CB 3.04Å; W729-L733 PolarHBondContact O-N 3.16Å
730	N	82.1	Confident	77.1	Confident	32 Å²	32	77 Å²	77	17%	0.171	43%	0.426	C	S	.	.	H	α-helix	trans	-65.9	-35.6	177	-75.3	-0.5	0	0	0	111.9	P726 I732 L733 I734 F802 N803	P726-N730 WeakPolarHBondContact O-CB 3.5Å; P726-N730 PolarHBondContact O-N 3.43Å; N730-I732 PolarHBondContact O-N 2.78Å; N730-L733 PolarHBondContact O-N 3.31Å; N730-I734 WeakPolarHBondContact O-CB 3.4Å; N730-I734 VanDerWaalsContact O-CG1 3.27Å; N730-I734 WeakPolarHBondContact O-CG1 3.49Å; N730-I734 PolarHBondContact O-N 3.44Å; N730-F802 WeakPolarHBondContact CB-O 3.41Å; N730-F802 PolarHBondContact ND2-O 2.94Å; N730-N803 PolarHBondContact ND2-OD1 2.78Å
731	Y	82.6	Confident	75.2	Confident	122 Å²	122	84.5 Å²	84.5	48%	0.478	45%	0.452	S	S	.	.	H	α-helix	trans	-58.4	-47.4	171.6	-177.9	-104.5	0	0	0	111.8	L727 A728 W729 I734 A735 W804	L727-Y731 WeakPolarHBondContact O-CB 3.5Å; L727-Y731 PolarHBondContact O-N 2.89Å; A728-Y731 WeakPolarHBondContact O-CB 2.99Å; A728-Y731 PolarHBondContact O-N 3.13Å; W729-Y731 VanDerWaalsContact C-N 3.33Å; W729-Y731 PolarHBondContact O-N 3.03Å; Y731-I734 PolarHBondContact O-N 3.38Å; Y731-A735 VanDerWaalsContact O-CB 3.27Å; Y731-A735 WeakPolarHBondContact O-CB 3.22Å; Y731-A735 PolarHBondContact O-N 3.24Å; Y731-W804 HydrophobicContact CD2-CD2 4.2Å; Y731-W804 AromaticContact CD2-CE2 3.88Å; Y731-W804 HydrophobicContact CD2-CE3 4.19Å; Y731-W804 AromaticContact CD2-CH2 3.58Å; Y731-W804 HydrophobicContact CD2-CH2 3.58Å; Y731-W804 AromaticContact CD2-CZ2 3.56Å; Y731-W804 HydrophobicContact CD2-CZ2 3.56Å; Y731-W804 AromaticContact CD2-CZ3 3.9Å; Y731-W804 HydrophobicContact CD2-CZ3 3.9Å; Y731-W804 HydrophobicContact CE2-CH2 4.18Å; Y731-W804 HydrophobicContact CE2-CZ3 4.31Å; Y731-W804 HydrophobicContact CG-CH2 4.24Å; Y731-W804 AromaticContact CG-CZ2 3.85Å; Y731-W804 HydrophobicContact CG-CZ2 3.85Å
732	I	81.5	Confident	73.4	Confident	106 Å²	106	89.2 Å²	89.2	54%	0.544	47%	0.472	S	S	.	.	H	α-helix	trans	-64.9	-39	177.8	-67.4	163.1	0	0	0	111.1	A728 W729 N730 A735 S736	A728-I732 WeakPolarHBondContact O-CD1 3.28Å; A728-I732 VanDerWaalsContact O-CG1 3.28Å; A728-I732 WeakPolarHBondContact O-CG1 3.35Å; A728-I732 PolarHBondContact O-N 3.33Å; W729-I732 PolarHBondContact O-N 2.99Å; N730-I732 PolarHBondContact O-N 2.78Å; I732-A735 PolarHBondContact O-N 2.93Å; I732-S736 VanDerWaalsContact O-CB 3.22Å; I732-S736 WeakPolarHBondContact O-CB 3.36Å; I732-S736 PolarHBondContact O-N 2.94Å
733	L	78.6	Confident	71.7	Confident	53 Å²	53	90.5 Å²	90.5	28%	0.277	47%	0.47	S	S	.	.	H	α-helix	trans	-62.8	-43.5	177.3	-173.2	68.1	0	0	0	112.2	W729 N730 S736 R738	W729-L733 WeakPolarHBondContact O-CB 3.04Å; W729-L733 PolarHBondContact O-N 3.16Å; N730-L733 PolarHBondContact O-N 3.31Å; L733-S736 WeakPolarHBondContact O-CB 3.48Å; L733-S736 PolarHBondContact O-N 3.29Å; L733-R738 HydrophobicContact CD1-CB 3.95Å; L733-R738 HydrophobicContact CD1-CG 4.43Å; L733-R738 HydrophobicContact CG-CB 4.45Å; L733-R738 PolarHBondContact O-N 3.33Å
734	I	73.2	Confident	69.8	Low	77 Å²	77	89.2 Å²	89.2	40%	0.395	47%	0.466	S	S	.	.	H	α-helix	trans	-70	-43.8	177.6	-67.4	166.4	0	0	0	110.6	N730 Y731 S736 G737 W804	N730-I734 WeakPolarHBondContact O-CB 3.4Å; N730-I734 VanDerWaalsContact O-CG1 3.27Å; N730-I734 WeakPolarHBondContact O-CG1 3.49Å; N730-I734 PolarHBondContact O-N 3.44Å; Y731-I734 PolarHBondContact O-N 3.38Å; I734-S736 PolarHBondContact O-N 3.3Å; I734-G737 PolarHBondContact O-N 3.02Å; I734-W804 HydrophobicContact CD1-CB 3.76Å; I734-W804 HydrophobicContact CD1-CG 4.17Å
735	A	70.3	Confident	67.9	Low	76 Å²	76	93.3 Å²	93.3	63%	0.628	48%	0.484	S	S	*	.	H	α-helix	trans	-63.3	-27.8	174	0	0	0	0	0	112.9	Y731 I732 G737	Y731-A735 VanDerWaalsContact O-CB 3.27Å; Y731-A735 WeakPolarHBondContact O-CB 3.22Å; Y731-A735 PolarHBondContact O-N 3.24Å; I732-A735 PolarHBondContact O-N 2.93Å; A735-G737 PolarHBondContact O-N 3.39Å
736	S	73.8	Confident	66.3	Low	90 Å²	90	90 Å²	90	63%	0.629	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	2.5	171.2	-174.7	0	0	0	0	113.6	I732 L733 I734 R738	I732-S736 VanDerWaalsContact O-CB 3.22Å; I732-S736 WeakPolarHBondContact O-CB 3.36Å; I732-S736 PolarHBondContact O-N 2.94Å; L733-S736 WeakPolarHBondContact O-CB 3.48Å; L733-S736 PolarHBondContact O-N 3.29Å; I734-S736 PolarHBondContact O-N 3.3Å; S736-R738 VanDerWaalsContact C-N 3.25Å; S736-R738 PolarHBondContact O-N 3.29Å
737	G	60.8	Low	64.9	Low	64 Å²	64	88.2 Å²	88.2	66%	0.66	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.5	16.4	176.6	0	0	0	0	0	115	I734 A735 D739	I734-G737 PolarHBondContact O-N 3.02Å; A735-G737 PolarHBondContact O-N 3.39Å; G737-D739 PolarHBondContact O-N 3.46Å; G737-D739 VanDerWaalsContact O-N 3.14Å
738	R	56.3	Low	63.4	Low	191 Å²	191	89.9 Å²	89.9	72%	0.721	47%	0.47	S	S	*	.			trans	-88.7	85.5	-176.1	-158.4	168.9	-171.6	129	1.3	110.4	L733 S736 T740	L733-R738 HydrophobicContact CD1-CB 3.95Å; L733-R738 HydrophobicContact CD1-CG 4.43Å; L733-R738 HydrophobicContact CG-CB 4.45Å; L733-R738 PolarHBondContact O-N 3.33Å; S736-R738 VanDerWaalsContact C-N 3.25Å; S736-R738 PolarHBondContact O-N 3.29Å; R738-T740 PolarHBondContact O-N 2.88Å
739	D	45.2	Very low	61.9	Low	102 Å²	102	91.1 Å²	91.1	55%	0.545	47%	0.47	S	S	.	.			trans	-53.7	122.7	-163.7	-154.7	-5	0	0	0	114.4	G737 R741	G737-D739 PolarHBondContact O-N 3.46Å; G737-D739 VanDerWaalsContact O-N 3.14Å; D739-R741 VanDerWaalsContact C-N 3.3Å; D739-R741 PolarHBondContact O-N 2.85Å; D739-R741 WeakPolarHBondContact OD1-CG 3.41Å; D739-R741 IonicContact OD1-NH1 3.65Å; D739-R741 WeakPolarHBondContact OD2-CD 3.29Å; D739-R741 IonicContact OD2-CZ 3.65Å; D739-R741 IonicContact OD2-NE 3.89Å; D739-R741 IonicContact OD2-NH1 2.69Å; D739-R741 PolarHBondContact OD2-NH1 2.97Å
740	T	52	Low	60.6	Low	65 Å²	65	87.2 Å²	87.2	40%	0.399	46%	0.462	S	S	.	.			trans	-90.7	10.7	-174.8	-30.3	0	0	0	0	112.8	R738 Q742	R738-T740 PolarHBondContact O-N 2.88Å; T740-Q742 VanDerWaalsContact C-N 3.26Å; T740-Q742 PolarHBondContact O-N 2.8Å; T740-Q742 VanDerWaalsContact O-N 3.11Å
741	R	48	Very low	59.3	Low	175 Å²	175	87.8 Å²	87.8	66%	0.66	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-20.3	-172.6	-88.6	-179.2	176.1	116.2	-0.9	117.2	D739 D743 V744 Q745	D739-R741 VanDerWaalsContact C-N 3.3Å; D739-R741 PolarHBondContact O-N 2.85Å; D739-R741 WeakPolarHBondContact OD1-CG 3.41Å; D739-R741 IonicContact OD1-NH1 3.65Å; D739-R741 WeakPolarHBondContact OD2-CD 3.29Å; D739-R741 IonicContact OD2-CZ 3.65Å; D739-R741 IonicContact OD2-NE 3.89Å; D739-R741 IonicContact OD2-NH1 2.69Å; D739-R741 PolarHBondContact OD2-NH1 2.97Å; R741-D743 PolarHBondContact O-N 3.07Å; R741-D743 VanDerWaalsContact O-N 3.17Å; R741-V744 PolarHBondContact O-N 3.38Å; R741-Q745 PolarHBondContact O-N 3.45Å
742	Q	48.6	Very low	57.8	Low	171 Å²	171	88.8 Å²	88.8	80%	0.799	47%	0.474	S	S	*	.	H	α-helix	trans	-57.9	-32.5	-175.3	-68.4	-175.1	-41.3	0	0	113	T740 V744 A746	T740-Q742 VanDerWaalsContact C-N 3.26Å; T740-Q742 PolarHBondContact O-N 2.8Å; T740-Q742 VanDerWaalsContact O-N 3.11Å; Q742-V744 VanDerWaalsContact C-N 3.3Å; Q742-V744 PolarHBondContact O-N 3.26Å; Q742-A746 PolarHBondContact O-N 2.76Å
743	D	51	Low	56.2	Low	83 Å²	83	90.5 Å²	90.5	44%	0.444	48%	0.484	S	S	.	.	H	α-helix	trans	-66.8	-27.4	177.8	-112.1	51.8	0	0	0	113.8	R741 K799	R741-D743 PolarHBondContact O-N 3.07Å; R741-D743 VanDerWaalsContact O-N 3.17Å; D743-K799 WeakPolarHBondContact OD2-CE 3.44Å; D743-K799 IonicContact OD2-NZ 2.75Å; D743-K799 PolarHBondContact OD2-NZ 2.8Å
744	V	48	Very low	54.9	Low	53 Å²	53	92.3 Å²	92.3	32%	0.321	49%	0.491	S	S	.	.	H	α-helix	trans	-88.7	-40.4	-177.5	-175.8	0	0	0	0	110.8	R741 Q742 A746 V747 E748	R741-V744 PolarHBondContact O-N 3.38Å; Q742-V744 VanDerWaalsContact C-N 3.3Å; Q742-V744 PolarHBondContact O-N 3.26Å; V744-A746 VanDerWaalsContact C-N 3.29Å; V744-A746 PolarHBondContact O-N 3.14Å; V744-V747 WeakPolarHBondContact O-CA 3.43Å; V744-V747 WeakPolarHBondContact O-CB 3.48Å; V744-V747 PolarHBondContact O-N 3.45Å; V744-E748 PolarHBondContact O-N 2.95Å
745	Q	49.1	Very low	53.7	Low	108 Å²	108	94.7 Å²	94.7	51%	0.505	51%	0.505	S	S	.	.	H	α-helix	trans	-58	-43.8	174.7	-168.4	65.9	55.7	0	0	110.8	R741 V747 E748 D749	R741-Q745 PolarHBondContact O-N 3.45Å; Q745-V747 PolarHBondContact O-N 3.36Å; Q745-E748 PolarHBondContact O-N 2.99Å; Q745-D749 PolarHBondContact NE2-OD1 3.11Å; Q745-D749 PolarHBondContact O-N 3.22Å
746	A	53.3	Low	52.5	Low	48 Å²	48	100.5 Å²	100.5	40%	0.397	52%	0.519	S	S	.	.	H	α-helix	trans	-68.5	5.1	174.9	0	0	0	0	0	115	Q742 V744 L750	Q742-A746 PolarHBondContact O-N 2.76Å; V744-A746 VanDerWaalsContact C-N 3.29Å; V744-A746 PolarHBondContact O-N 3.14Å; A746-L750 WeakPolarHBondContact O-CD1 3.47Å
747	V	55.1	Low	51.1	Low	13 Å²	13	103.2 Å²	103.2	8%	0.079	53%	0.526	C	S	.	.	H	α-helix	trans	-109.3	-36.5	166.4	175.4	0	0	0	0	110.7	V744 Q745 L750 L751 V870	V744-V747 WeakPolarHBondContact O-CA 3.43Å; V744-V747 WeakPolarHBondContact O-CB 3.48Å; V744-V747 PolarHBondContact O-N 3.45Å; Q745-V747 PolarHBondContact O-N 3.36Å; V747-L750 CarbonylContact O-C 3.58Å; V747-L750 PolarHBondContact O-N 3.33Å; V747-L751 HydrophobicContact CG1-CD1 4.42Å; V747-L751 WeakPolarHBondContact O-CG 3.49Å; V747-L751 PolarHBondContact O-N 3.32Å; V747-V870 HydrophobicContact CG1-CG2 4.32Å
748	E	53.3	Low	50.1	Low	38 Å²	38	108.9 Å²	108.9	18%	0.178	53%	0.533	C	S	.	.	H	α-helix	trans	-62.2	-47.3	171.8	-153.9	85.3	140.1	0	0	111.1	V744 Q745 L750 L751 E752 V870 Q873	V744-E748 PolarHBondContact O-N 2.95Å; Q745-E748 PolarHBondContact O-N 2.99Å; E748-L750 PolarHBondContact O-N 3.13Å; E748-L751 WeakPolarHBondContact O-CA 3.34Å; E748-L751 WeakPolarHBondContact O-CB 3.27Å; E748-L751 PolarHBondContact O-N 3.42Å; E748-E752 PolarHBondContact O-N 3.33Å; E748-V870 WeakPolarHBondContact OE2-CG1 3.4Å; E748-Q873 PolarHBondContact OE1-NE2 3.33Å
749	D	53.4	Low	49.5	Very low	71 Å²	71	105.9 Å²	105.9	38%	0.38	53%	0.531	S	S	.	.	H	α-helix	trans	-57.9	-35.2	176	-55.6	-9.4	0	0	0	111	Q745 L751 D753	Q745-D749 PolarHBondContact NE2-OD1 3.11Å; Q745-D749 PolarHBondContact O-N 3.22Å; D749-L751 PolarHBondContact O-N 2.85Å; D749-D753 WeakPolarHBondContact O-CB 3.41Å; D749-D753 PolarHBondContact O-N 3.02Å
750	L	56.5	Low	49.7	Very low	94 Å²	94	108.7 Å²	108.7	49%	0.492	54%	0.539	S	S	.	.	H	α-helix	trans	-77.4	-0.1	175.3	-86.1	178.8	0	0	0	114.4	A746 V747 E748	A746-L750 WeakPolarHBondContact O-CD1 3.47Å; V747-L750 CarbonylContact O-C 3.58Å; V747-L750 PolarHBondContact O-N 3.33Å; E748-L750 PolarHBondContact O-N 3.13Å
751	L	54.2	Low	49.1	Very low	44 Å²	44	113.2 Å²	113.2	23%	0.23	56%	0.561	C	S	.	*	H	α-helix	trans	-110.5	-32.4	173.6	-66.7	169.2	0	0	0	111.4	V747 E748 D749 V870	V747-L751 HydrophobicContact CG1-CD1 4.42Å; V747-L751 WeakPolarHBondContact O-CG 3.49Å; V747-L751 PolarHBondContact O-N 3.32Å; E748-L751 WeakPolarHBondContact O-CA 3.34Å; E748-L751 WeakPolarHBondContact O-CB 3.27Å; E748-L751 PolarHBondContact O-N 3.42Å; D749-L751 PolarHBondContact O-N 2.85Å; L751-V870 HydrophobicContact CD1-CG1 3.93Å; L751-V870 HydrophobicContact CD1-CG2 4.47Å
752	E	52.2	Low	49.2	Very low	143 Å²	143	113.2 Å²	113.2	67%	0.668	57%	0.573	S	S	*	*	H	α-helix	trans	-73	-33	174.6	-63.6	-168.6	150.5	0	0	112.7	E748 E754	E748-E752 PolarHBondContact O-N 3.33Å; E752-E754 PolarHBondContact O-N 2.79Å
753	D	47.2	Very low	48.9	Very low	142 Å²	142	112.8 Å²	112.8	76%	0.759	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.4	-9.3	-173.3	-92.4	-7.9	0	0	0	116.6	D749	D749-D753 WeakPolarHBondContact O-CB 3.41Å; D749-D753 PolarHBondContact O-N 3.02Å
754	E	52.4	Low	48.3	Very low	90 Å²	90	114.7 Å²	114.7	42%	0.421	58%	0.579	S	S	.	*	T	Hydrogen-bonded Turn	trans	-111.6	-0.6	-175.7	-75.4	-162	169.2	0	0	115.8	E752	E752-E754 PolarHBondContact O-N 2.79Å
755	D	47.2	Very low	48.3	Very low	128 Å²	128	118.4 Å²	118.4	68%	0.684	61%	0.608	S	S	*	*	S	Bend	trans	-91.3	-12.7	-169.9	-94.8	-1.7	0	0	0	116.1
756	E	45.5	Very low	48.1	Very low	197 Å²	197	121.9 Å²	121.9	92%	0.921	62%	0.624	S	S	*	*	S	Bend	trans	-87.2	-18.4	-174.6	-72.3	-148	137.5	0	0	116.4
757	D	44.5	Very low	47.6	Very low	148 Å²	148	129.5 Å²	129.5	79%	0.791	64%	0.642	S	S	*	*	S	Bend	trans	-123.9	31.9	-155.2	-119.8	-14.6	0	0	0	116.6
758	F	39.6	Very low	47.5	Very low	183 Å²	183	139 Å²	139	80%	0.803	68%	0.683	S	S	*	*			trans	-138.2	58.9	172.6	-98.3	-77.2	0	0	0	114.5
759	D	43.9	Very low	47.3	Very low	127 Å²	127	140.5 Å²	140.5	68%	0.679	71%	0.708	S	S	*	*			trans	-79.1	137	167.6	-163.2	23.5	0	0	0	112.2
760	K	49.7	Very low	47.3	Very low	162 Å²	162	143.3 Å²	143.3	70%	0.704	72%	0.717	S	S	*	*			trans	24.1	112.6	169.4	-67.3	166.4	-153.3	69.4	0	119
761	D	39	Very low	47.2	Very low	160 Å²	160	143.3 Å²	143.3	86%	0.856	72%	0.716	S	S	*	*			trans	-149.3	49.5	139.5	-127.8	-11.6	0	0	0	112.4	K763	D761-K763 PolarHBondContact O-N 3.41Å; D761-K763 VanDerWaalsContact O-N 3.09Å
762	D	48.8	Very low	47.4	Very low	174 Å²	174	147.6 Å²	147.6	93%	0.93	74%	0.739	S	S	*	*			trans	-73.2	93.7	171.6	-106.6	-32.2	0	0	0	110.1
763	K	43.8	Very low	47.7	Very low	162 Å²	162	147.7 Å²	147.7	70%	0.704	74%	0.737	S	S	*	*			trans	-141.5	144.4	173	-102.8	-161.3	159.5	-120	0	116.7	D761	D761-K763 PolarHBondContact O-N 3.41Å; D761-K763 VanDerWaalsContact O-N 3.09Å
764	D	37.1	Very low	48.4	Very low	124 Å²	124	146.3 Å²	146.3	66%	0.663	73%	0.729	S	S	*	*			trans	61.5	75	156.3	-54.3	-15.9	0	0	0	116.6	E766	D764-E766 VanDerWaalsContact C-N 3.33Å; D764-E766 PolarHBondContact O-N 3.49Å
765	S	49.6	Very low	48.9	Very low	131 Å²	131	147.6 Å²	147.6	92%	0.916	73%	0.731	S	S	*	*			trans	-75.3	63.1	177.5	50	0	0	0	0	114.8
766	E	44.6	Very low	49.8	Very low	180 Å²	180	143.9 Å²	143.9	84%	0.841	72%	0.718	S	S	*	*			trans	-107.4	102.7	176.3	-73	-140.3	138.2	0	0	115.2	D764	D764-E766 VanDerWaalsContact C-N 3.33Å; D764-E766 PolarHBondContact O-N 3.49Å
767	R	42.4	Very low	51.2	Low	209 Å²	209	139 Å²	139	79%	0.789	70%	0.698	S	S	*	*			trans	-179.5	91	132.7	-99.2	160.4	-171.4	-157.7	1.8	112.8	G769 F770	R767-G769 PolarHBondContact O-N 2.92Å; R767-F770 PolarHBondContact O-N 3.38Å
768	K	52	Low	52.5	Low	213 Å²	213	135.8 Å²	135.8	93%	0.926	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.8	15.8	176.1	-68.7	-177.5	176.2	175.9	0	115.8
769	G	50.4	Low	54.1	Low	69 Å²	69	131.8 Å²	131.8	71%	0.711	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.6	-13.2	176.7	0	0	0	0	0	115.4	R767	R767-G769 PolarHBondContact O-N 2.92Å
770	F	52.8	Low	55.9	Low	129 Å²	129	130 Å²	130	57%	0.566	66%	0.659	S	S	*	*	S	Bend	trans	-114	-2.1	-174.9	-76.5	-90.9	0	0	0	114.5	R767 N772 K773 L774	R767-F770 PolarHBondContact O-N 3.38Å; F770-N772 PolarHBondContact O-N 2.78Å; F770-K773 CarbonylContact O-C 3.58Å; F770-K773 WeakPolarHBondContact O-CA 3.36Å; F770-K773 WeakPolarHBondContact O-CB 3.5Å; F770-K773 PolarHBondContact O-N 3.29Å; F770-L774 PolarHBondContact O-N 2.67Å
771	M	54.4	Low	57.2	Low	94 Å²	94	124.5 Å²	124.5	46%	0.463	64%	0.639	S	S	.	*	H	α-helix	trans	-46.4	-54.3	-171.2	-128.7	165.2	70.2	0	0	113.6	K773 L774 Y775	M771-K773 PolarHBondContact O-N 3.11Å; M771-K773 VanDerWaalsContact O-N 3.16Å; M771-L774 WeakPolarHBondContact O-CA 3.41Å; M771-L774 WeakPolarHBondContact O-CB 3.29Å; M771-L774 PolarHBondContact O-N 3.37Å; M771-Y775 HydrophobicContact CB-CE2 4.26Å; M771-Y775 HydrophobicContact CE-CE2 4.09Å; M771-Y775 HydrophobicContact CG-CE2 3.76Å; M771-Y775 VanDerWaalsContact O-CD2 3.22Å; M771-Y775 WeakPolarHBondContact O-CD2 3.41Å; M771-Y775 PolarHBondContact O-N 2.99Å
772	N	58	Low	59.2	Low	135 Å²	135	118.4 Å²	118.4	72%	0.722	61%	0.607	S	S	*	*	H	α-helix	trans	-64.8	-23.4	-177.8	-58.1	15.3	0	0	0	113.4	F770 A776	F770-N772 PolarHBondContact O-N 2.78Å; N772-A776 PolarHBondContact O-N 3.22Å
773	K	59.2	Low	60.8	Low	144 Å²	144	113.8 Å²	113.8	63%	0.626	59%	0.588	S	S	*	*	H	α-helix	trans	-88.1	-25.9	174.5	-164	173.4	-176	179.6	0	111.8	F770 M771 I777	F770-K773 CarbonylContact O-C 3.58Å; F770-K773 WeakPolarHBondContact O-CA 3.36Å; F770-K773 WeakPolarHBondContact O-CB 3.5Å; F770-K773 PolarHBondContact O-N 3.29Å; M771-K773 PolarHBondContact O-N 3.11Å; M771-K773 VanDerWaalsContact O-N 3.16Å; K773-I777 WeakPolarHBondContact O-CD1 3.49Å; K773-I777 VanDerWaalsContact O-CG1 3.29Å; K773-I777 WeakPolarHBondContact O-CG1 3.41Å; K773-I777 PolarHBondContact O-N 3.34Å
774	L	60.4	Low	62.7	Low	114 Å²	114	109.3 Å²	109.3	60%	0.597	57%	0.574	S	S	*	*	H	α-helix	trans	-70.8	-46.3	171.5	-156.4	78.6	0	0	0	110.6	F770 M771 A776 I777 Q778	F770-L774 PolarHBondContact O-N 2.67Å; M771-L774 WeakPolarHBondContact O-CA 3.41Å; M771-L774 WeakPolarHBondContact O-CB 3.29Å; M771-L774 PolarHBondContact O-N 3.37Å; L774-A776 PolarHBondContact O-N 3.33Å; L774-I777 CarbonylContact O-C 3.59Å; L774-I777 WeakPolarHBondContact O-CA 3.48Å; L774-I777 WeakPolarHBondContact O-CB 3.44Å; L774-I777 PolarHBondContact O-N 2.92Å; L774-Q778 WeakPolarHBondContact O-CB 3.29Å; L774-Q778 PolarHBondContact O-N 2.81Å
775	Y	63.4	Low	64.7	Low	116 Å²	116	104.2 Å²	104.2	46%	0.455	55%	0.546	S	S	.	.	H	α-helix	trans	-57.6	-47.7	173.4	-66.5	-54.3	0	0	0	111.6	M771 I777 Q778 D779	M771-Y775 HydrophobicContact CB-CE2 4.26Å; M771-Y775 HydrophobicContact CE-CE2 4.09Å; M771-Y775 HydrophobicContact CG-CE2 3.76Å; M771-Y775 VanDerWaalsContact O-CD2 3.22Å; M771-Y775 WeakPolarHBondContact O-CD2 3.41Å; M771-Y775 PolarHBondContact O-N 2.99Å; Y775-I777 PolarHBondContact O-N 3.37Å; Y775-I777 VanDerWaalsContact O-N 3.09Å; Y775-Q778 CarbonylContact O-C 3.54Å; Y775-Q778 WeakPolarHBondContact O-CA 3.44Å; Y775-Q778 WeakPolarHBondContact O-CB 3.45Å; Y775-Q778 PolarHBondContact O-N 2.95Å; Y775-D779 PolarHBondContact O-N 3.03Å
776	A	66.1	Low	66.4	Low	51 Å²	51	101 Å²	101	42%	0.421	52%	0.519	S	S	.	.	H	α-helix	trans	-61.7	-21.7	176.3	0	0	0	0	0	114.4	N772 L774 V780	N772-A776 PolarHBondContact O-N 3.22Å; L774-A776 PolarHBondContact O-N 3.33Å; A776-V780 VanDerWaalsContact O-CG2 3.27Å; A776-V780 WeakPolarHBondContact O-CG2 3.44Å
777	I	75	Confident	68.3	Low	95 Å²	95	94.8 Å²	94.8	49%	0.487	50%	0.498	S	S	.	.	H	α-helix	trans	-84.1	-39.6	170.7	-69.7	166.1	0	0	0	110.4	K773 L774 Y775 V780 C781	K773-I777 WeakPolarHBondContact O-CD1 3.49Å; K773-I777 VanDerWaalsContact O-CG1 3.29Å; K773-I777 WeakPolarHBondContact O-CG1 3.41Å; K773-I777 PolarHBondContact O-N 3.34Å; L774-I777 CarbonylContact O-C 3.59Å; L774-I777 WeakPolarHBondContact O-CA 3.48Å; L774-I777 WeakPolarHBondContact O-CB 3.44Å; L774-I777 PolarHBondContact O-N 2.92Å; Y775-I777 PolarHBondContact O-N 3.37Å; Y775-I777 VanDerWaalsContact O-N 3.09Å; I777-V780 PolarHBondContact O-N 3.42Å; I777-C781 WeakPolarHBondContact O-CB 3.43Å; I777-C781 PolarHBondContact O-N 2.87Å; I777-C781 PolarHBondContact O-SG 3.41Å; I777-C781 VanDerWaalsContact O-SG 3.33Å
778	Q	71.3	Confident	70.2	Confident	79 Å²	79	86.6 Å²	86.6	37%	0.369	47%	0.47	S	S	.	.	H	α-helix	trans	-59.3	-47.8	174.8	-171.5	179.2	-15.1	0	0	111	V662 L774 Y775 V780 C781 I782	V662-Q778 HydrophobicContact CG2-CG 3.82Å; L774-Q778 WeakPolarHBondContact O-CB 3.29Å; L774-Q778 PolarHBondContact O-N 2.81Å; Y775-Q778 CarbonylContact O-C 3.54Å; Y775-Q778 WeakPolarHBondContact O-CA 3.44Å; Y775-Q778 WeakPolarHBondContact O-CB 3.45Å; Y775-Q778 PolarHBondContact O-N 2.95Å; Q778-V780 VanDerWaalsContact C-N 3.31Å; Q778-V780 PolarHBondContact O-N 3.33Å; Q778-C781 CarbonylContact O-C 3.57Å; Q778-C781 WeakPolarHBondContact O-CA 3.28Å; Q778-C781 WeakPolarHBondContact O-CB 3.36Å; Q778-C781 PolarHBondContact O-N 3.41Å; Q778-C781 VanDerWaalsContact O-N 3.07Å; Q778-I782 HydrophobicContact CG-CD1 4.24Å; Q778-I782 WeakPolarHBondContact O-CG1 3.49Å; Q778-I782 PolarHBondContact O-N 2.9Å
779	D	74.8	Confident	71.7	Confident	99 Å²	99	79.5 Å²	79.5	53%	0.529	44%	0.442	S	S	.	.	H	α-helix	trans	-58.3	-41.4	176.1	-59.4	-26	0	0	0	111.8	Y775 I782 S783	Y775-D779 PolarHBondContact O-N 3.03Å; D779-I782 PolarHBondContact O-N 2.9Å; D779-S783 VanDerWaalsContact O-CB 3.28Å; D779-S783 WeakPolarHBondContact O-CB 3.27Å; D779-S783 PolarHBondContact O-N 3.46Å
780	V	80.1	Confident	73.4	Confident	91 Å²	91	81.2 Å²	81.2	55%	0.552	43%	0.432	S	S	*	.	H	α-helix	trans	-68.2	-39.1	175.2	169	0	0	0	0	111	A776 I777 Q778 S783 V784	A776-V780 VanDerWaalsContact O-CG2 3.27Å; A776-V780 WeakPolarHBondContact O-CG2 3.44Å; I777-V780 PolarHBondContact O-N 3.42Å; Q778-V780 VanDerWaalsContact C-N 3.31Å; Q778-V780 PolarHBondContact O-N 3.33Å; V780-S783 PolarHBondContact O-N 3.38Å; V780-V784 WeakPolarHBondContact O-CB 3.37Å; V780-V784 VanDerWaalsContact O-CG2 3.29Å; V780-V784 WeakPolarHBondContact O-CG2 3.27Å; V780-V784 PolarHBondContact O-N 3.26Å
781	C	77.8	Confident	75	Confident	45 Å²	45	79.4 Å²	79.4	30%	0.304	43%	0.431	S	S	.	.	H	α-helix	trans	-65.8	-41.7	174.2	-73.1	0	0	0	0	112.3	I777 Q778 V784 Q785	I777-C781 WeakPolarHBondContact O-CB 3.43Å; I777-C781 PolarHBondContact O-N 2.87Å; I777-C781 PolarHBondContact O-SG 3.41Å; I777-C781 VanDerWaalsContact O-SG 3.33Å; Q778-C781 CarbonylContact O-C 3.57Å; Q778-C781 WeakPolarHBondContact O-CA 3.28Å; Q778-C781 WeakPolarHBondContact O-CB 3.36Å; Q778-C781 PolarHBondContact O-N 3.41Å; Q778-C781 VanDerWaalsContact O-N 3.07Å; C781-V784 PolarHBondContact O-N 3Å; C781-Q785 WeakPolarHBondContact O-CB 3.16Å; C781-Q785 PolarHBondContact O-N 3.21Å
782	I	80.6	Confident	76.4	Confident	33 Å²	33	74.9 Å²	74.9	17%	0.169	41%	0.409	C	S	.	.	H	α-helix	trans	-61.2	-49.4	172.6	-64.7	167.8	0	0	0	109.5	P660 V662 Q778 D779 V784 Q785 N786	P660-I782 HydrophobicContact CG-CG2 4.01Å; V662-I782 HydrophobicContact CG2-CD1 4.02Å; V662-I782 HydrophobicContact CG2-CG1 3.32Å; Q778-I782 HydrophobicContact CG-CD1 4.24Å; Q778-I782 WeakPolarHBondContact O-CG1 3.49Å; Q778-I782 PolarHBondContact O-N 2.9Å; D779-I782 PolarHBondContact O-N 2.9Å; I782-V784 VanDerWaalsContact C-N 3.31Å; I782-V784 PolarHBondContact O-N 3.31Å; I782-Q785 PolarHBondContact O-N 3.02Å; I782-N786 WeakPolarHBondContact O-CB 3.39Å; I782-N786 PolarHBondContact O-N 2.85Å; I782-N786 PolarHBondContact O-OD1 3.27Å
783	S	82.5	Confident	77.7	Confident	77 Å²	77	68.9 Å²	68.9	54%	0.538	38%	0.377	S	S	.	.	H	α-helix	trans	-59.5	-39.8	179.3	179.2	0	0	0	0	112.5	D779 V780 A787	D779-S783 VanDerWaalsContact O-CB 3.28Å; D779-S783 WeakPolarHBondContact O-CB 3.27Å; D779-S783 PolarHBondContact O-N 3.46Å; V780-S783 PolarHBondContact O-N 3.38Å; S783-A787 VanDerWaalsContact O-CB 3.22Å; S783-A787 WeakPolarHBondContact O-CB 3.45Å; S783-A787 PolarHBondContact O-N 3.1Å
784	V	83.8	Confident	79	Confident	68 Å²	68	65.7 Å²	65.7	41%	0.412	36%	0.362	S	S	.	.	H	α-helix	trans	-72.2	-40.6	175.1	169.9	0	0	0	0	111.9	V780 C781 I782 A787 L788	V780-V784 WeakPolarHBondContact O-CB 3.37Å; V780-V784 VanDerWaalsContact O-CG2 3.29Å; V780-V784 WeakPolarHBondContact O-CG2 3.27Å; V780-V784 PolarHBondContact O-N 3.26Å; C781-V784 PolarHBondContact O-N 3Å; I782-V784 VanDerWaalsContact C-N 3.31Å; I782-V784 PolarHBondContact O-N 3.31Å; V784-A787 PolarHBondContact O-N 3.3Å; V784-L788 HydrophobicContact CG1-CD1 3.89Å; V784-L788 HydrophobicContact CG1-CG 4.38Å; V784-L788 WeakPolarHBondContact O-CB 3.41Å; V784-L788 VanDerWaalsContact O-CG 3.26Å; V784-L788 WeakPolarHBondContact O-CG 3.16Å; V784-L788 PolarHBondContact O-N 3.49Å
785	Q	79.9	Confident	80.1	Confident	16 Å²	16	61.7 Å²	61.7	8%	0.075	35%	0.348	C	S	.	.	H	α-helix	trans	-61.2	-45.1	176.7	-177.5	-179.7	-48.4	0	0	110.9	L667 C781 I782 D789	L667-Q785 HydrophobicContact CB-CG 4.49Å; L667-Q785 HydrophobicContact CD1-CB 4.46Å; C781-Q785 WeakPolarHBondContact O-CB 3.16Å; C781-Q785 PolarHBondContact O-N 3.21Å; I782-Q785 PolarHBondContact O-N 3.02Å; Q785-D789 WeakPolarHBondContact O-CB 3.3Å; Q785-D789 PolarHBondContact O-N 3.49Å
786	N	84.8	Confident	81.2	Confident	65 Å²	65	56.5 Å²	56.5	35%	0.348	33%	0.328	S	S	.	.	H	α-helix	trans	-68	-45.6	177.7	-66.1	7.1	0	0	0	111.2	I782 L788 D789 E790	I782-N786 WeakPolarHBondContact O-CB 3.39Å; I782-N786 PolarHBondContact O-N 2.85Å; I782-N786 PolarHBondContact O-OD1 3.27Å; N786-L788 VanDerWaalsContact C-N 3.31Å; N786-L788 PolarHBondContact O-N 3.42Å; N786-D789 PolarHBondContact O-N 3.34Å; N786-D789 VanDerWaalsContact O-N 3.1Å; N786-E790 PolarHBondContact O-N 3.28Å
787	A	83.7	Confident	82.3	Confident	49 Å²	49	55.8 Å²	55.8	41%	0.405	31%	0.314	S	S	.	.	H	α-helix	trans	-63.6	-34.7	177.3	0	0	0	0	0	112.9	S783 V784 V791	S783-A787 VanDerWaalsContact O-CB 3.22Å; S783-A787 WeakPolarHBondContact O-CB 3.45Å; S783-A787 PolarHBondContact O-N 3.1Å; V784-A787 PolarHBondContact O-N 3.3Å; A787-V791 VanDerWaalsContact O-CG2 3.3Å; A787-V791 WeakPolarHBondContact O-CG2 3.29Å; A787-V791 PolarHBondContact O-N 3.46Å; A787-V791 VanDerWaalsContact O-N 3.11Å
788	L	82.9	Confident	82.8	Confident	37 Å²	37	55 Å²	55	19%	0.194	31%	0.31	C	S	.	.	H	α-helix	trans	-69.8	-36.4	171.9	-72.7	171	0	0	0	112	N670 V674 V784 N786 A792	N670-L788 HydrophobicContact CB-CB 4.33Å; V674-L788 HydrophobicContact CB-CD2 4.43Å; V674-L788 HydrophobicContact CG1-CD2 4.42Å; V674-L788 HydrophobicContact CG2-CB 4.4Å; V674-L788 HydrophobicContact CG2-CD2 4.01Å; V674-L788 VanDerWaalsContact CG2-O 3.29Å; V674-L788 WeakPolarHBondContact CG2-O 3.45Å; V784-L788 HydrophobicContact CG1-CD1 3.89Å; V784-L788 HydrophobicContact CG1-CG 4.38Å; V784-L788 WeakPolarHBondContact O-CB 3.41Å; V784-L788 VanDerWaalsContact O-CG 3.26Å; V784-L788 WeakPolarHBondContact O-CG 3.16Å; V784-L788 PolarHBondContact O-N 3.49Å; N786-L788 VanDerWaalsContact C-N 3.31Å; N786-L788 PolarHBondContact O-N 3.42Å; L788-A792 VanDerWaalsContact O-CB 3.29Å; L788-A792 WeakPolarHBondContact O-CB 3.49Å; L788-A792 PolarHBondContact O-N 3.02Å
789	D	83.9	Confident	83.5	Confident	63 Å²	63	54 Å²	54	34%	0.337	31%	0.305	S	S	.	.	H	α-helix	trans	-70.3	-39.8	176	-163	32.9	0	0	0	112.7	N670 R673 Q785 N786 A792 S793	N670-D789 WeakPolarHBondContact ND2-CB 3.29Å; R673-D789 IonicContact CZ-OD1 2.67Å; R673-D789 IonicContact NH1-OD1 3.37Å; R673-D789 PolarHBondContact NH1-OD1 2.85Å; R673-D789 IonicContact NH2-OD1 3.46Å; R673-D789 PolarHBondContact NH2-OD1 2.86Å; Q785-D789 WeakPolarHBondContact O-CB 3.3Å; Q785-D789 PolarHBondContact O-N 3.49Å; N786-D789 PolarHBondContact O-N 3.34Å; N786-D789 VanDerWaalsContact O-N 3.1Å; D789-A792 PolarHBondContact O-N 3.1Å; D789-S793 WeakPolarHBondContact O-CB 3.39Å; D789-S793 PolarHBondContact O-N 3.37Å; D789-S793 PolarHBondContact O-OG 2.91Å
790	E	85.7	Confident	84	Confident	106 Å²	106	49.8 Å²	49.8	50%	0.495	28%	0.282	S	S	.	.	H	α-helix	trans	-56.7	-54.1	170	-79	-176.6	-137.8	0	0	110.4	N786 A792 S793 Y794	N786-E790 PolarHBondContact O-N 3.28Å; E790-A792 PolarHBondContact O-N 2.79Å; E790-S793 PolarHBondContact O-N 3.01Å; E790-S793 PolarHBondContact O-OG 3.26Å; E790-S793 VanDerWaalsContact O-OG 3.14Å; E790-Y794 HydrophobicContact CB-CD2 4.27Å; E790-Y794 HydrophobicContact CB-CE2 4Å; E790-Y794 HydrophobicContact CG-CE2 4.44Å; E790-Y794 WeakPolarHBondContact O-CB 3.3Å; E790-Y794 WeakPolarHBondContact O-CD2 3.26Å; E790-Y794 PolarHBondContact O-N 3.14Å
791	V	85.9	Confident	84.3	Confident	90 Å²	90	45.9 Å²	45.9	55%	0.545	26%	0.259	S	S	.	.	H	α-helix	trans	-62.8	-40.3	-178.9	171.3	0	0	0	0	112.3	V674 A787 G795	V674-V791 HydrophobicContact CG1-CG1 4.33Å; V674-V791 HydrophobicContact CG2-CB 4.42Å; V674-V791 HydrophobicContact CG2-CG1 4.22Å; A787-V791 VanDerWaalsContact O-CG2 3.3Å; A787-V791 WeakPolarHBondContact O-CG2 3.29Å; A787-V791 PolarHBondContact O-N 3.46Å; A787-V791 VanDerWaalsContact O-N 3.11Å; V791-G795 PolarHBondContact O-N 2.73Å
792	A	84.5	Confident	84.6	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-63.7	-52.9	174.1	0	0	0	0	0	111.6	R673 V674 L788 D789 E790 Y794 G795 E796	R673-A792 HydrophobicContact CB-CB 3.81Å; V674-A792 HydrophobicContact CG2-CB 3.87Å; L788-A792 VanDerWaalsContact O-CB 3.29Å; L788-A792 WeakPolarHBondContact O-CB 3.49Å; L788-A792 PolarHBondContact O-N 3.02Å; D789-A792 PolarHBondContact O-N 3.1Å; E790-A792 PolarHBondContact O-N 2.79Å; A792-Y794 PolarHBondContact O-N 3.32Å; A792-G795 PolarHBondContact O-N 3.44Å; A792-G795 VanDerWaalsContact O-N 3.13Å; A792-E796 WeakPolarHBondContact O-CG 3.19Å; A792-E796 PolarHBondContact O-N 2.97Å
793	S	85.6	Confident	84.7	Confident	9 Å²	9	47 Å²	47	6%	0.063	26%	0.26	C	S	.	.	H	α-helix	trans	-65.5	-35.7	-176.2	65	0	0	0	0	112.5	D789 E790 E796 R797	D789-S793 WeakPolarHBondContact O-CB 3.39Å; D789-S793 PolarHBondContact O-N 3.37Å; D789-S793 PolarHBondContact O-OG 2.91Å; E790-S793 PolarHBondContact O-N 3.01Å; E790-S793 PolarHBondContact O-OG 3.26Å; E790-S793 VanDerWaalsContact O-OG 3.14Å; S793-E796 PolarHBondContact O-N 3.3Å; S793-R797 WeakPolarHBondContact O-CB 3.27Å; S793-R797 VanDerWaalsContact O-CD 3.27Å; S793-R797 WeakPolarHBondContact O-CD 3.45Å; S793-R797 WeakPolarHBondContact O-CG 3.44Å; S793-R797 PolarHBondContact O-N 3.46Å
794	Y	87.3	Confident	84.7	Confident	76 Å²	76	44.6 Å²	44.6	30%	0.298	24%	0.239	S	C	.	.	H	α-helix	trans	-63.1	-40.7	172.2	-74	-55.8	0	0	0	112.1	E790 A792 I798 L857	E790-Y794 HydrophobicContact CB-CD2 4.27Å; E790-Y794 HydrophobicContact CB-CE2 4Å; E790-Y794 HydrophobicContact CG-CE2 4.44Å; E790-Y794 WeakPolarHBondContact O-CB 3.3Å; E790-Y794 WeakPolarHBondContact O-CD2 3.26Å; E790-Y794 PolarHBondContact O-N 3.14Å; A792-Y794 PolarHBondContact O-N 3.32Å; Y794-I798 WeakPolarHBondContact O-CD1 3.12Å; Y794-I798 VanDerWaalsContact O-CG1 3.27Å; Y794-I798 WeakPolarHBondContact O-CG1 3.39Å; Y794-I798 PolarHBondContact O-N 3.46Å; Y794-I798 VanDerWaalsContact O-N 3.07Å; Y794-L857 HydrophobicContact CD1-CD2 4.22Å; Y794-L857 HydrophobicContact CE1-CD2 3.75Å
795	G	82.3	Confident	84.6	Confident	30 Å²	30	43.7 Å²	43.7	31%	0.309	23%	0.234	S	C	.	.	H	α-helix	trans	-63.4	-46.9	175	0	0	0	0	0	112.7	V791 A792 I798 K799	V791-G795 PolarHBondContact O-N 2.73Å; A792-G795 PolarHBondContact O-N 3.44Å; A792-G795 VanDerWaalsContact O-N 3.13Å; G795-I798 PolarHBondContact O-N 3.47Å; G795-K799 PolarHBondContact O-N 3.18Å
796	E	85.9	Confident	84.8	Confident	8 Å²	8	44 Å²	44	4%	0.037	24%	0.237	C	C	.	.	H	α-helix	trans	-63.4	-41.8	176.4	-70.7	165	-168.9	0	0	112.1	R673 A792 S793 I798 K799 N800 S865 D866	R673-E796 IonicContact CZ-OE1 3.95Å; R673-E796 IonicContact CZ-OE2 3.47Å; R673-E796 IonicContact NE-OE1 2.73Å; R673-E796 PolarHBondContact NE-OE1 3.3Å; R673-E796 IonicContact NE-OE2 2.76Å; R673-E796 IonicContact NH2-OE1 2.84Å; R673-E796 PolarHBondContact NH2-OE1 2.95Å; R673-E796 IonicContact NH2-OE2 3.38Å; R673-E796 PolarHBondContact NH2-OE2 2.91Å; A792-E796 WeakPolarHBondContact O-CG 3.19Å; A792-E796 PolarHBondContact O-N 2.97Å; S793-E796 PolarHBondContact O-N 3.3Å; E796-I798 PolarHBondContact O-N 3.29Å; E796-K799 WeakPolarHBondContact O-CB 3.36Å; E796-K799 PolarHBondContact O-N 2.95Å; E796-N800 VanDerWaalsContact O-CB 3.28Å; E796-N800 WeakPolarHBondContact O-CB 3.36Å; E796-N800 PolarHBondContact O-N 3.36Å; E796-N800 PolarHBondContact O-ND2 3.37Å; E796-S865 WeakPolarHBondContact OE2-CB 3.47Å; E796-D866 HydrophobicContact CG-CB 4.14Å; E796-D866 PolarHBondContact OE2-N 3.45Å; E796-D866 VanDerWaalsContact OE2-N 3.11Å
797	R	89.1	Confident	84.8	Confident	36 Å²	36	44.6 Å²	44.6	14%	0.136	24%	0.244	C	C	.	.	H	α-helix	trans	-62.4	-40.1	175.8	-76.7	166	153.9	152.2	-7.4	112.6	S793 T801 L860 S861 V863	S793-R797 WeakPolarHBondContact O-CB 3.27Å; S793-R797 VanDerWaalsContact O-CD 3.27Å; S793-R797 WeakPolarHBondContact O-CD 3.45Å; S793-R797 WeakPolarHBondContact O-CG 3.44Å; S793-R797 PolarHBondContact O-N 3.46Å; R797-T801 PolarHBondContact O-N 3.46Å; R797-T801 PolarHBondContact O-OG1 3.01Å; R797-L860 HydrophobicContact CB-CD2 4.38Å; R797-L860 WeakPolarHBondContact CD-O 3.23Å; R797-L860 PolarHBondContact NE-O 3.13Å; R797-S861 PolarHBondContact NH2-O 3.32Å; R797-V863 HydrophobicContact CB-CB 4.1Å; R797-V863 HydrophobicContact CB-CG1 4.41Å; R797-V863 HydrophobicContact CG-CB 4.09Å; R797-V863 VanDerWaalsContact CG-O 3.32Å; R797-V863 WeakPolarHBondContact CG-O 3.5Å; R797-V863 PolarHBondContact NE-O 3.29Å; R797-V863 WeakPolarHBondContact O-CG1 3.39Å
798	I	86.8	Confident	84.9	Confident	78 Å²	78	44.6 Å²	44.6	40%	0.4	24%	0.235	S	C	.	.	H	α-helix	trans	-64.4	-51.2	173.5	-68.2	165.8	0	0	0	109.6	Y794 G795 E796 N800 T801 F802 L860	Y794-I798 WeakPolarHBondContact O-CD1 3.12Å; Y794-I798 VanDerWaalsContact O-CG1 3.27Å; Y794-I798 WeakPolarHBondContact O-CG1 3.39Å; Y794-I798 PolarHBondContact O-N 3.46Å; Y794-I798 VanDerWaalsContact O-N 3.07Å; G795-I798 PolarHBondContact O-N 3.47Å; E796-I798 PolarHBondContact O-N 3.29Å; I798-N800 VanDerWaalsContact C-N 3.33Å; I798-N800 PolarHBondContact O-N 2.89Å; I798-T801 WeakPolarHBondContact O-CB 3.36Å; I798-T801 PolarHBondContact O-N 2.93Å; I798-T801 VanDerWaalsContact O-N 3.13Å; I798-F802 HydrophobicContact CG2-CD2 4.05Å; I798-F802 HydrophobicContact CG2-CE2 3.87Å; I798-F802 VanDerWaalsContact O-CD2 3.27Å; I798-F802 WeakPolarHBondContact O-CD2 3.31Å; I798-F802 PolarHBondContact O-N 2.8Å; I798-L860 HydrophobicContact CD1-CD1 4.23Å; I798-L860 HydrophobicContact CG1-CD1 3.84Å; I798-L860 HydrophobicContact CG1-CD2 3.77Å; I798-L860 HydrophobicContact CG1-CG 4.49Å
799	K	85.5	Confident	85.2	Confident	59 Å²	59	42.9 Å²	42.9	26%	0.257	23%	0.226	S	C	.	.	H	α-helix	trans	-50.8	-49.5	174.7	175.7	-158.9	176.3	-170.7	0	111.8	D743 G795 E796 T801 F802 N803 D866	D743-K799 WeakPolarHBondContact OD2-CE 3.44Å; D743-K799 IonicContact OD2-NZ 2.75Å; D743-K799 PolarHBondContact OD2-NZ 2.8Å; G795-K799 PolarHBondContact O-N 3.18Å; E796-K799 WeakPolarHBondContact O-CB 3.36Å; E796-K799 PolarHBondContact O-N 2.95Å; K799-T801 VanDerWaalsContact C-N 3.31Å; K799-T801 PolarHBondContact O-N 3.24Å; K799-F802 CarbonylContact O-C 3.59Å; K799-F802 PolarHBondContact O-N 3.5Å; K799-F802 VanDerWaalsContact O-N 3.1Å; K799-N803 WeakPolarHBondContact O-CB 3.44Å; K799-N803 PolarHBondContact O-N 2.9Å; K799-D866 IonicContact NZ-OD2 2.91Å; K799-D866 PolarHBondContact NZ-OD2 2.83Å
800	N	85.8	Confident	85.4	Confident	9 Å²	9	39.9 Å²	39.9	5%	0.048	21%	0.21	C	C	.	.	H	α-helix	trans	-69.6	-24.7	-177.4	-71.5	-21.1	0	0	0	113.6	E796 I798 W804 T805 V863 P864 D866	E796-N800 VanDerWaalsContact O-CB 3.28Å; E796-N800 WeakPolarHBondContact O-CB 3.36Å; E796-N800 PolarHBondContact O-N 3.36Å; E796-N800 PolarHBondContact O-ND2 3.37Å; I798-N800 VanDerWaalsContact C-N 3.33Å; I798-N800 PolarHBondContact O-N 2.89Å; N800-W804 PolarHBondContact O-N 3.03Å; N800-T805 WeakPolarHBondContact CA-OG1 3.42Å; N800-T805 HydrophobicContact CB-CG2 4.32Å; N800-T805 WeakPolarHBondContact CB-OG1 3.32Å; N800-T805 PolarHBondContact O-N 3.09Å; N800-T805 VanDerWaalsContact O-N 3.14Å; N800-T805 PolarHBondContact O-OG1 2.85Å; N800-T805 PolarHBondContact OD1-OG1 3.3Å; N800-V863 HydrophobicContact CB-CG1 3.78Å; N800-P864 PolarHBondContact ND2-O 3.13Å; N800-D866 PolarHBondContact ND2-OD1 3.32Å; N800-D866 PolarHBondContact OD1-OD1 3.36Å
801	T	86.3	Confident	85.6	Confident	10 Å²	10	41.9 Å²	41.9	6%	0.061	21%	0.213	C	C	.	.	H	α-helix	trans	-66.4	-44	168.4	-52.9	0	0	0	0	111	L727 R797 I798 K799 S810 A813 F859 V863	L727-T801 WeakPolarHBondContact CD2-O 3.37Å; R797-T801 PolarHBondContact O-N 3.46Å; R797-T801 PolarHBondContact O-OG1 3.01Å; I798-T801 WeakPolarHBondContact O-CB 3.36Å; I798-T801 PolarHBondContact O-N 2.93Å; I798-T801 VanDerWaalsContact O-N 3.13Å; K799-T801 VanDerWaalsContact C-N 3.31Å; K799-T801 PolarHBondContact O-N 3.24Å; T801-S810 PolarHBondContact O-OG 3.02Å; T801-A813 HydrophobicContact CG2-CB 4.2Å; T801-F859 HydrophobicContact CG2-CE1 3.97Å; T801-F859 HydrophobicContact CG2-CZ 4.15Å; T801-V863 WeakPolarHBondContact OG1-CG2 3.46Å
802	F	84.1	Confident	85.7	Confident	51 Å²	51	39.4 Å²	39.4	22%	0.224	20%	0.197	C	C	.	.	H	α-helix	trans	-74.7	-29.6	177.9	-74	-75	0	0	0	113.3	L723 P726 L727 N730 I798 K799 W804	L723-F802 HydrophobicContact CD2-CZ 4.49Å; P726-F802 HydrophobicContact CB-CD1 4.18Å; P726-F802 HydrophobicContact CB-CE1 4.48Å; P726-F802 HydrophobicContact CG-CD1 3.99Å; P726-F802 HydrophobicContact CG-CE1 3.8Å; L727-F802 HydrophobicContact CD1-CD1 4.47Å; L727-F802 HydrophobicContact CD1-CE1 4.14Å; L727-F802 HydrophobicContact CD2-CD1 3.93Å; L727-F802 HydrophobicContact CD2-CE1 4.39Å; L727-F802 HydrophobicContact CG-CD1 3.66Å; L727-F802 HydrophobicContact CG-CE1 3.78Å; N730-F802 WeakPolarHBondContact CB-O 3.41Å; N730-F802 PolarHBondContact ND2-O 2.94Å; I798-F802 HydrophobicContact CG2-CD2 4.05Å; I798-F802 HydrophobicContact CG2-CE2 3.87Å; I798-F802 VanDerWaalsContact O-CD2 3.27Å; I798-F802 WeakPolarHBondContact O-CD2 3.31Å; I798-F802 PolarHBondContact O-N 2.8Å; K799-F802 CarbonylContact O-C 3.59Å; K799-F802 PolarHBondContact O-N 3.5Å; K799-F802 VanDerWaalsContact O-N 3.1Å; F802-W804 VanDerWaalsContact C-N 3.31Å; F802-W804 PolarHBondContact O-N 3.49Å
803	N	82.7	Confident	85.9	Confident	50 Å²	50	40.1 Å²	40.1	27%	0.267	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	8.6	179.3	-73.5	6	0	0	0	114.1	N730 K799 T805	N730-N803 PolarHBondContact ND2-OD1 2.78Å; K799-N803 WeakPolarHBondContact O-CB 3.44Å; K799-N803 PolarHBondContact O-N 2.9Å; N803-T805 PolarHBondContact O-N 2.98Å
804	W	83.2	Confident	86.1	Confident	26 Å²	26	41.2 Å²	41.2	10%	0.098	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	23.6	176.7	-69.2	79.9	0	0	0	115.7	L727 Y731 I734 N800 F802 V806 P807 W811 I814	L727-W804 PolarHBondContact O-NE1 3.06Å; Y731-W804 HydrophobicContact CD2-CD2 4.2Å; Y731-W804 AromaticContact CD2-CE2 3.88Å; Y731-W804 HydrophobicContact CD2-CE3 4.19Å; Y731-W804 AromaticContact CD2-CH2 3.58Å; Y731-W804 HydrophobicContact CD2-CH2 3.58Å; Y731-W804 AromaticContact CD2-CZ2 3.56Å; Y731-W804 HydrophobicContact CD2-CZ2 3.56Å; Y731-W804 AromaticContact CD2-CZ3 3.9Å; Y731-W804 HydrophobicContact CD2-CZ3 3.9Å; Y731-W804 HydrophobicContact CE2-CH2 4.18Å; Y731-W804 HydrophobicContact CE2-CZ3 4.31Å; Y731-W804 HydrophobicContact CG-CH2 4.24Å; Y731-W804 AromaticContact CG-CZ2 3.85Å; Y731-W804 HydrophobicContact CG-CZ2 3.85Å; I734-W804 HydrophobicContact CD1-CB 3.76Å; I734-W804 HydrophobicContact CD1-CG 4.17Å; N800-W804 PolarHBondContact O-N 3.03Å; F802-W804 VanDerWaalsContact C-N 3.31Å; F802-W804 PolarHBondContact O-N 3.49Å; W804-V806 PolarHBondContact O-N 2.86Å; W804-V806 VanDerWaalsContact O-N 3.11Å; W804-P807 HydrophobicContact CE3-CB 4.21Å; W804-P807 WeakPolarHBondContact O-CD 3.44Å; W804-W811 AromaticContact CZ3-CD1 3.73Å; W804-W811 HydrophobicContact CZ3-CG 4.47Å; W804-I814 HydrophobicContact CH2-CD1 3.58Å; W804-I814 HydrophobicContact CZ2-CD1 3.4Å; W804-I814 VanDerWaalsContact CZ2-CD1 3.4Å
805	T	81	Confident	86.3	Confident	50 Å²	50	41.1 Å²	41.1	31%	0.307	21%	0.214	S	C	.	.	S	Bend	trans	-57.4	-29.2	-178.9	-49.4	0	0	0	0	112.9	N800 N803 P864 V869	N800-T805 WeakPolarHBondContact CA-OG1 3.42Å; N800-T805 HydrophobicContact CB-CG2 4.32Å; N800-T805 WeakPolarHBondContact CB-OG1 3.32Å; N800-T805 PolarHBondContact O-N 3.09Å; N800-T805 VanDerWaalsContact O-N 3.14Å; N800-T805 PolarHBondContact O-OG1 2.85Å; N800-T805 PolarHBondContact OD1-OG1 3.3Å; N803-T805 PolarHBondContact O-N 2.98Å; T805-P864 HydrophobicContact CG2-CG 4.32Å; T805-V869 HydrophobicContact CG2-CG2 3.63Å
806	V	83.3	Confident	86.6	Confident	23 Å²	23	42.5 Å²	42.5	14%	0.139	22%	0.223	C	C	.	.	S	Bend	trans	-128.9	95.4	168.4	-179.2	0	0	0	0	108.6	L605 W804 F808 L809 S810 P864	L605-V806 HydrophobicContact CD1-CG1 3.72Å; W804-V806 PolarHBondContact O-N 2.86Å; W804-V806 VanDerWaalsContact O-N 3.11Å; V806-F808 PolarHBondContact O-N 3.4Å; V806-F808 VanDerWaalsContact O-N 3.07Å; V806-L809 HydrophobicContact CB-CB 4.4Å; V806-L809 HydrophobicContact CB-CD1 4.17Å; V806-L809 HydrophobicContact CB-CG 4.43Å; V806-L809 HydrophobicContact CG1-CB 4.31Å; V806-L809 HydrophobicContact CG1-CD1 3.99Å; V806-L809 HydrophobicContact CG1-CG 3.98Å; V806-L809 PolarHBondContact O-N 2.69Å; V806-S810 PolarHBondContact O-N 2.8Å; V806-P864 HydrophobicContact CG2-CG 3.9Å
807	P	85.3	Confident	86.8	Confident	77 Å²	77	43.6 Å²	43.6	50%	0.5	23%	0.229	S	C	.	.	H	α-helix	trans	-56.9	-30.8	-170.9	-30.1	36.3	0	0	0	115.1	W804 W811	W804-P807 HydrophobicContact CE3-CB 4.21Å; W804-P807 WeakPolarHBondContact O-CD 3.44Å; P807-W811 WeakPolarHBondContact O-CB 3.39Å; P807-W811 PolarHBondContact O-N 3.17Å
808	F	86.9	Confident	86.9	Confident	48 Å²	48	44.8 Å²	44.8	21%	0.211	24%	0.24	C	C	.	.	H	α-helix	trans	-61.8	-43.7	175.2	-177.5	-88.4	0	0	0	112.5	I577 H578 L605 F638 A640 A643 T647 V806 W811 L812	I577-F808 HydrophobicContact CG2-CE1 4.47Å; H578-F808 AromaticContact CE1-CD1 3.62Å; H578-F808 AromaticContact NE2-CD1 3.6Å; H578-F808 AromaticContact NE2-CE1 3.62Å; L605-F808 HydrophobicContact CD1-CB 4.14Å; L605-F808 HydrophobicContact CD2-CB 4.5Å; F638-F808 HydrophobicContact CE2-CE2 4.5Å; A640-F808 HydrophobicContact CB-CE2 4.27Å; A643-F808 HydrophobicContact CB-CZ 3.94Å; T647-F808 HydrophobicContact CG2-CE1 4.44Å; V806-F808 PolarHBondContact O-N 3.4Å; V806-F808 VanDerWaalsContact O-N 3.07Å; F808-W811 PolarHBondContact O-N 3.27Å; F808-L812 PolarHBondContact O-N 3.22Å
809	L	87.4	Confident	87.1	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-72.8	-39.5	179.9	-69.6	174	0	0	0	111.3	H578 T647 V806 W811 L812 A813 F859 R862 V863	H578-L809 WeakPolarHBondContact CE1-CD2 3.19Å; H578-L809 VanDerWaalsContact CE1-CG 3.42Å; H578-L809 WeakPolarHBondContact CE1-CG 3.12Å; T647-L809 HydrophobicContact CG2-CD2 4.02Å; V806-L809 HydrophobicContact CB-CB 4.4Å; V806-L809 HydrophobicContact CB-CD1 4.17Å; V806-L809 HydrophobicContact CB-CG 4.43Å; V806-L809 HydrophobicContact CG1-CB 4.31Å; V806-L809 HydrophobicContact CG1-CD1 3.99Å; V806-L809 HydrophobicContact CG1-CG 3.98Å; V806-L809 PolarHBondContact O-N 2.69Å; L809-W811 VanDerWaalsContact C-N 3.34Å; L809-W811 PolarHBondContact O-N 3.11Å; L809-L812 PolarHBondContact O-N 3.42Å; L809-A813 WeakPolarHBondContact O-CB 3.43Å; L809-A813 PolarHBondContact O-N 3.06Å; L809-F859 HydrophobicContact CB-CE2 4.04Å; L809-F859 HydrophobicContact CB-CZ 3.94Å; L809-F859 HydrophobicContact CD2-CD2 4.12Å; L809-F859 HydrophobicContact CD2-CE2 3.65Å; L809-F859 HydrophobicContact CD2-CZ 4.32Å; L809-F859 HydrophobicContact CG-CE2 4.42Å; L809-F859 WeakPolarHBondContact O-CZ 3.18Å; L809-R862 HydrophobicContact CD1-CB 4.23Å; L809-R862 WeakPolarHBondContact CD1-O 3.23Å; L809-V863 HydrophobicContact CD1-CB 4.33Å; L809-V863 HydrophobicContact CD1-CG2 3.72Å
810	S	89.1	Confident	87.3	Confident	1 Å²	1	43.3 Å²	43.3	1%	0.007	24%	0.243	C	C	.	.	H	α-helix	trans	-63.3	-38.6	174.1	-56.3	0	0	0	0	112	T801 V806 A813 I814	T801-S810 PolarHBondContact O-OG 3.02Å; V806-S810 PolarHBondContact O-N 2.8Å; S810-A813 PolarHBondContact O-N 2.81Å; S810-I814 WeakPolarHBondContact O-CG1 3.29Å; S810-I814 PolarHBondContact O-N 3.33Å
811	W	89.6	Confident	87.5	Confident	148 Å²	148	43.9 Å²	43.9	56%	0.561	25%	0.247	S	C	*	.	H	α-helix	trans	-64.2	-43.2	171.3	-111.8	104.6	0	0	0	112.7	W804 P807 F808 L809 A813 I814 V815	W804-W811 AromaticContact CZ3-CD1 3.73Å; W804-W811 HydrophobicContact CZ3-CG 4.47Å; P807-W811 WeakPolarHBondContact O-CB 3.39Å; P807-W811 PolarHBondContact O-N 3.17Å; F808-W811 PolarHBondContact O-N 3.27Å; L809-W811 VanDerWaalsContact C-N 3.34Å; L809-W811 PolarHBondContact O-N 3.11Å; W811-A813 VanDerWaalsContact C-N 3.33Å; W811-A813 PolarHBondContact O-N 3.43Å; W811-I814 PolarHBondContact O-N 3.21Å; W811-V815 HydrophobicContact CE3-CG2 3.86Å; W811-V815 HydrophobicContact CZ3-CG2 4.04Å; W811-V815 WeakPolarHBondContact O-CG2 3.39Å; W811-V815 PolarHBondContact O-N 3.33Å
812	L	88.8	Confident	87.7	Confident	38 Å²	38	47.7 Å²	47.7	20%	0.199	27%	0.266	C	S	.	.	H	α-helix	trans	-61.7	-42.5	176.3	-164.4	96.8	0	0	0	111.4	T647 F808 L809 I814 V815 A816 F859	T647-L812 WeakPolarHBondContact OG1-CD2 3.33Å; F808-L812 PolarHBondContact O-N 3.22Å; L809-L812 PolarHBondContact O-N 3.42Å; L812-I814 VanDerWaalsContact C-N 3.34Å; L812-I814 PolarHBondContact O-N 2.9Å; L812-V815 PolarHBondContact O-N 3.04Å; L812-A816 WeakPolarHBondContact O-CB 3.42Å; L812-A816 PolarHBondContact O-N 2.88Å; L812-F859 HydrophobicContact CB-CE2 4.35Å; L812-F859 HydrophobicContact CD2-CD2 3.8Å; L812-F859 HydrophobicContact CD2-CE2 3.74Å
813	A	88.3	Confident	88	Confident	15 Å²	15	48.8 Å²	48.8	12%	0.124	27%	0.273	C	S	.	.	H	α-helix	trans	-61.5	-40.7	175.3	0	0	0	0	0	112	T801 L809 S810 W811 A816 L817 F859	T801-A813 HydrophobicContact CG2-CB 4.2Å; L809-A813 WeakPolarHBondContact O-CB 3.43Å; L809-A813 PolarHBondContact O-N 3.06Å; S810-A813 PolarHBondContact O-N 2.81Å; W811-A813 VanDerWaalsContact C-N 3.33Å; W811-A813 PolarHBondContact O-N 3.43Å; A813-A816 PolarHBondContact O-N 3.04Å; A813-L817 WeakPolarHBondContact O-CB 3.35Å; A813-L817 VanDerWaalsContact O-CG 3.27Å; A813-L817 WeakPolarHBondContact O-CG 3.44Å; A813-L817 PolarHBondContact O-N 2.94Å; A813-F859 HydrophobicContact CB-CZ 3.98Å
814	I	90.6	Very high	88.3	Confident	32 Å²	32	48.3 Å²	48.3	16%	0.164	27%	0.272	C	S	.	.	H	α-helix	trans	-62.2	-48.5	174	-72.7	168.2	0	0	0	111.1	L724 L727 W804 S810 W811 L812 A816 L817 V818	L724-I814 HydrophobicContact CD2-CB 4.11Å; L724-I814 HydrophobicContact CD2-CG1 3.95Å; L724-I814 HydrophobicContact CD2-CG2 3.97Å; L727-I814 HydrophobicContact CB-CD1 4.26Å; L727-I814 HydrophobicContact CB-CG1 4.17Å; L727-I814 HydrophobicContact CD1-CG1 4Å; W804-I814 HydrophobicContact CH2-CD1 3.58Å; W804-I814 HydrophobicContact CZ2-CD1 3.4Å; W804-I814 VanDerWaalsContact CZ2-CD1 3.4Å; S810-I814 WeakPolarHBondContact O-CG1 3.29Å; S810-I814 PolarHBondContact O-N 3.33Å; W811-I814 PolarHBondContact O-N 3.21Å; L812-I814 VanDerWaalsContact C-N 3.34Å; L812-I814 PolarHBondContact O-N 2.9Å; I814-A816 VanDerWaalsContact C-N 3.34Å; I814-A816 PolarHBondContact O-N 2.75Å; I814-L817 PolarHBondContact O-N 3.42Å; I814-V818 HydrophobicContact CG2-CG2 4.33Å; I814-V818 WeakPolarHBondContact O-CB 3.28Å; I814-V818 VanDerWaalsContact O-CG2 3.3Å; I814-V818 WeakPolarHBondContact O-CG2 3.48Å; I814-V818 PolarHBondContact O-N 3.38Å
815	V	90.2	Very high	88.6	Confident	73 Å²	73	53.8 Å²	53.8	44%	0.442	29%	0.293	S	S	.	.	H	α-helix	trans	-60.8	-43.9	178.1	172.5	0	0	0	0	110.9	W811 L812 V818 V819	W811-V815 HydrophobicContact CE3-CG2 3.86Å; W811-V815 HydrophobicContact CZ3-CG2 4.04Å; W811-V815 WeakPolarHBondContact O-CG2 3.39Å; W811-V815 PolarHBondContact O-N 3.33Å; L812-V815 PolarHBondContact O-N 3.04Å; V815-V818 PolarHBondContact O-N 2.96Å; V815-V819 HydrophobicContact CG1-CG2 4.46Å; V815-V819 WeakPolarHBondContact O-CB 3.3Å; V815-V819 VanDerWaalsContact O-CG2 3.3Å; V815-V819 WeakPolarHBondContact O-CG2 3.49Å; V815-V819 PolarHBondContact O-N 3.31Å
816	A	88.9	Confident	89	Confident	59 Å²	59	58.5 Å²	58.5	49%	0.488	31%	0.31	S	S	.	.	H	α-helix	trans	-62.2	-43.5	176.8	0	0	0	0	0	112.5	L812 A813 I814 V819 A820	L812-A816 WeakPolarHBondContact O-CB 3.42Å; L812-A816 PolarHBondContact O-N 2.88Å; A813-A816 PolarHBondContact O-N 3.04Å; I814-A816 VanDerWaalsContact C-N 3.34Å; I814-A816 PolarHBondContact O-N 2.75Å; A816-V819 PolarHBondContact O-N 3.01Å; A816-A820 VanDerWaalsContact O-CB 3.28Å; A816-A820 WeakPolarHBondContact O-CB 3.27Å; A816-A820 PolarHBondContact O-N 3.35Å
817	L	89.9	Confident	89.3	Confident	32 Å²	32	60.9 Å²	60.9	17%	0.168	32%	0.321	C	S	.	.	H	α-helix	trans	-69.2	-36.9	177.3	-73.3	169.7	0	0	0	112.7	P720 L723 L724 L727 A813 I814 A820 T821	P720-L817 HydrophobicContact CB-CD2 3.97Å; L723-L817 HydrophobicContact CB-CD1 4.04Å; L723-L817 HydrophobicContact CB-CD2 4.25Å; L723-L817 HydrophobicContact CD1-CD2 4.25Å; L724-L817 HydrophobicContact CD1-CB 4.14Å; L724-L817 HydrophobicContact CD2-CB 3.69Å; L724-L817 HydrophobicContact CD2-CD1 3.99Å; L724-L817 HydrophobicContact CG-CB 3.75Å; L724-L817 HydrophobicContact CG-CD1 4.17Å; L727-L817 HydrophobicContact CD1-CD1 3.68Å; A813-L817 WeakPolarHBondContact O-CB 3.35Å; A813-L817 VanDerWaalsContact O-CG 3.27Å; A813-L817 WeakPolarHBondContact O-CG 3.44Å; A813-L817 PolarHBondContact O-N 2.94Å; I814-L817 PolarHBondContact O-N 3.42Å; L817-A820 PolarHBondContact O-N 2.85Å; L817-T821 WeakPolarHBondContact O-CB 3.46Å; L817-T821 PolarHBondContact O-N 3.28Å; L817-T821 PolarHBondContact O-OG1 2.76Å
818	V	91.6	Very high	89.5	Confident	61 Å²	61	60.7 Å²	60.7	37%	0.37	32%	0.32	S	S	.	.	H	α-helix	trans	-65.1	-46.8	173.4	169.1	0	0	0	0	110.5	L724 I814 V815 A820 T821 I822	L724-V818 HydrophobicContact CD1-CG2 3.71Å; L724-V818 HydrophobicContact CD2-CG2 4.3Å; I814-V818 HydrophobicContact CG2-CG2 4.33Å; I814-V818 WeakPolarHBondContact O-CB 3.28Å; I814-V818 VanDerWaalsContact O-CG2 3.3Å; I814-V818 WeakPolarHBondContact O-CG2 3.48Å; I814-V818 PolarHBondContact O-N 3.38Å; V815-V818 PolarHBondContact O-N 2.96Å; V818-A820 VanDerWaalsContact C-N 3.34Å; V818-A820 PolarHBondContact O-N 3.28Å; V818-T821 WeakPolarHBondContact O-CB 3.22Å; V818-T821 PolarHBondContact O-N 3.21Å; V818-T821 VanDerWaalsContact O-N 3.16Å; V818-I822 HydrophobicContact CG1-CD1 3.93Å; V818-I822 WeakPolarHBondContact O-CG1 3.37Å; V818-I822 PolarHBondContact O-N 3.23Å
819	V	90.4	Very high	89.4	Confident	71 Å²	71	62.4 Å²	62.4	43%	0.43	33%	0.331	S	S	.	.	H	α-helix	trans	-61.7	-41.5	175.3	169.5	0	0	0	0	111.1	V815 A816 T821 I822 I823	V815-V819 HydrophobicContact CG1-CG2 4.46Å; V815-V819 WeakPolarHBondContact O-CB 3.3Å; V815-V819 VanDerWaalsContact O-CG2 3.3Å; V815-V819 WeakPolarHBondContact O-CG2 3.49Å; V815-V819 PolarHBondContact O-N 3.31Å; A816-V819 PolarHBondContact O-N 3.01Å; V819-T821 PolarHBondContact O-N 3.23Å; V819-I822 PolarHBondContact O-N 3.4Å; V819-I823 HydrophobicContact CG1-CD1 3.71Å; V819-I823 HydrophobicContact CG1-CG1 4.4Å; V819-I823 WeakPolarHBondContact O-CB 3.33Å; V819-I823 VanDerWaalsContact O-CG1 3.27Å; V819-I823 WeakPolarHBondContact O-CG1 3.38Å; V819-I823 PolarHBondContact O-N 3.33Å
820	A	89.1	Confident	89.4	Confident	35 Å²	35	70.9 Å²	70.9	29%	0.289	36%	0.363	S	S	.	.	H	α-helix	trans	-62.8	-39.6	173.7	0	0	0	0	0	112.5	P720 A816 L817 V818 I823 V824	P720-A820 HydrophobicContact CB-CB 4.37Å; P720-A820 HydrophobicContact CG-CB 4.24Å; A816-A820 VanDerWaalsContact O-CB 3.28Å; A816-A820 WeakPolarHBondContact O-CB 3.27Å; A816-A820 PolarHBondContact O-N 3.35Å; L817-A820 PolarHBondContact O-N 2.85Å; V818-A820 VanDerWaalsContact C-N 3.34Å; V818-A820 PolarHBondContact O-N 3.28Å; A820-I823 PolarHBondContact O-N 3.48Å; A820-V824 WeakPolarHBondContact O-CB 3.27Å; A820-V824 VanDerWaalsContact O-CG2 3.29Å; A820-V824 WeakPolarHBondContact O-CG2 3.48Å; A820-V824 PolarHBondContact O-N 2.89Å
821	T	90.4	Very high	89.5	Confident	21 Å²	21	75.5 Å²	75.5	13%	0.129	38%	0.383	C	S	.	.	H	α-helix	trans	-60.6	-48.5	175.2	-54.4	0	0	0	0	110.5	Y717 L817 V818 V819 V824 Y825	Y717-T821 HydrophobicContact CD2-CG2 4.39Å; L817-T821 WeakPolarHBondContact O-CB 3.46Å; L817-T821 PolarHBondContact O-N 3.28Å; L817-T821 PolarHBondContact O-OG1 2.76Å; V818-T821 WeakPolarHBondContact O-CB 3.22Å; V818-T821 PolarHBondContact O-N 3.21Å; V818-T821 VanDerWaalsContact O-N 3.16Å; V819-T821 PolarHBondContact O-N 3.23Å; T821-V824 PolarHBondContact O-N 3.48Å; T821-Y825 VanDerWaalsContact O-CB 3.26Å; T821-Y825 WeakPolarHBondContact O-CB 3.28Å; T821-Y825 PolarHBondContact O-N 2.92Å
822	I	91	Very high	89.3	Confident	90 Å²	90	71.1 Å²	71.1	46%	0.462	37%	0.37	S	S	.	.	H	α-helix	trans	-61.5	-45.2	177.8	-67.9	165.7	0	0	0	111	V818 V819 Y825 F826	V818-I822 HydrophobicContact CG1-CD1 3.93Å; V818-I822 WeakPolarHBondContact O-CG1 3.37Å; V818-I822 PolarHBondContact O-N 3.23Å; V819-I822 PolarHBondContact O-N 3.4Å; I822-Y825 PolarHBondContact O-N 3.25Å; I822-F826 HydrophobicContact CG2-CD2 3.84Å; I822-F826 HydrophobicContact CG2-CE2 4.05Å; I822-F826 WeakPolarHBondContact O-CD2 3.39Å; I822-F826 PolarHBondContact O-N 3.05Å
823	I	89.4	Confident	89.3	Confident	74 Å²	74	73.1 Å²	73.1	38%	0.379	38%	0.383	S	S	.	.	H	α-helix	trans	-62	-47.6	178.1	-73.9	169.1	0	0	0	111.2	V819 A820 Y825 F826 I827 I832	V819-I823 HydrophobicContact CG1-CD1 3.71Å; V819-I823 HydrophobicContact CG1-CG1 4.4Å; V819-I823 WeakPolarHBondContact O-CB 3.33Å; V819-I823 VanDerWaalsContact O-CG1 3.27Å; V819-I823 WeakPolarHBondContact O-CG1 3.38Å; V819-I823 PolarHBondContact O-N 3.33Å; A820-I823 PolarHBondContact O-N 3.48Å; I823-Y825 VanDerWaalsContact C-N 3.31Å; I823-Y825 PolarHBondContact O-N 3.27Å; I823-F826 PolarHBondContact O-N 2.89Å; I823-I827 HydrophobicContact CG2-CD1 4.42Å; I823-I827 WeakPolarHBondContact O-CA 3.01Å; I823-I827 VanDerWaalsContact O-CB 3.25Å; I823-I827 WeakPolarHBondContact O-CB 3.49Å; I823-I827 PolarHBondContact O-N 3.43Å; I823-I832 HydrophobicContact CG2-CD1 3.87Å; I823-I832 HydrophobicContact CG2-CG1 4.42Å
824	V	89.4	Confident	89.3	Confident	39 Å²	39	77.8 Å²	77.8	24%	0.236	41%	0.406	C	S	.	.	H	α-helix	trans	-72.3	-25.3	-178.3	177.1	0	0	0	0	112.2	L716 A820 T821 I832	L716-V824 HydrophobicContact CB-CG1 3.57Å; A820-V824 WeakPolarHBondContact O-CB 3.27Å; A820-V824 VanDerWaalsContact O-CG2 3.29Å; A820-V824 WeakPolarHBondContact O-CG2 3.48Å; A820-V824 PolarHBondContact O-N 2.89Å; T821-V824 PolarHBondContact O-N 3.48Å; V824-I832 HydrophobicContact CG2-CD1 3.94Å
825	Y	89.9	Confident	89.2	Confident	141 Å²	141	79.2 Å²	79.2	55%	0.553	42%	0.423	S	S	*	.	H	α-helix	trans	-70.3	-48.9	172	-179.1	-98.7	0	0	0	112.3	Y717 T821 I822 I823	Y717-Y825 AromaticContact CD1-CD2 3.75Å; Y717-Y825 HydrophobicContact CD1-CD2 3.75Å; Y717-Y825 AromaticContact CE1-CD2 3.69Å; Y717-Y825 HydrophobicContact CE1-CD2 3.69Å; Y717-Y825 HydrophobicContact CE1-CE2 4.19Å; Y717-Y825 HydrophobicContact CG-CD2 4.22Å; T821-Y825 VanDerWaalsContact O-CB 3.26Å; T821-Y825 WeakPolarHBondContact O-CB 3.28Å; T821-Y825 PolarHBondContact O-N 2.92Å; I822-Y825 PolarHBondContact O-N 3.25Å; I823-Y825 VanDerWaalsContact C-N 3.31Å; I823-Y825 PolarHBondContact O-N 3.27Å
826	F	90	Very high	89	Confident	149 Å²	149	83.8 Å²	83.8	65%	0.654	43%	0.432	S	S	*	.	H	α-helix	trans	-85.7	-25.1	-177.4	-72.8	-66.5	0	0	0	114.8	I822 I823	I822-F826 HydrophobicContact CG2-CD2 3.84Å; I822-F826 HydrophobicContact CG2-CE2 4.05Å; I822-F826 WeakPolarHBondContact O-CD2 3.39Å; I822-F826 PolarHBondContact O-N 3.05Å; I823-F826 PolarHBondContact O-N 2.89Å
827	I	89.7	Confident	88.9	Confident	74 Å²	74	81.6 Å²	81.6	38%	0.379	42%	0.416	S	S	.	.	S	Bend	trans	-117	109.1	-173.1	-53	-176.2	0	0	0	110.3	I823 L829 F831 I832	I823-I827 HydrophobicContact CG2-CD1 4.42Å; I823-I827 WeakPolarHBondContact O-CA 3.01Å; I823-I827 VanDerWaalsContact O-CB 3.25Å; I823-I827 WeakPolarHBondContact O-CB 3.49Å; I823-I827 PolarHBondContact O-N 3.43Å; I827-L829 PolarHBondContact O-N 3.08Å; I827-F831 HydrophobicContact CG2-CB 3.81Å; I827-I832 HydrophobicContact CB-CD1 4.45Å; I827-I832 HydrophobicContact CB-CG1 4.29Å; I827-I832 HydrophobicContact CG2-CG1 3.86Å; I827-I832 WeakPolarHBondContact O-CD1 3.49Å
828	P	89.5	Confident	88.9	Confident	72 Å²	72	84 Å²	84	47%	0.468	43%	0.431	S	S	.	.			trans	-54.5	132.5	175.6	-28.7	35.4	0	0	0	112.6	R830 F831	P828-R830 HydrophobicContact CB-CG 4.35Å; P828-R830 PolarHBondContact O-N 2.82Å; P828-F831 HydrophobicContact CB-CD2 4.2Å; P828-F831 HydrophobicContact CG-CD2 4.41Å; P828-F831 HydrophobicContact CG-CE2 4.48Å; P828-F831 PolarHBondContact O-N 3.26Å
829	L	84	Confident	88.5	Confident	85 Å²	85	85.7 Å²	85.7	45%	0.445	44%	0.438	S	S	.	.	H	α-helix	trans	-48.5	-30.7	-171.4	177.7	148.6	0	0	0	114.8	L716 I827 F831 I832 V833	L716-L829 HydrophobicContact CD1-CB 3.84Å; L716-L829 HydrophobicContact CD1-CD1 3.73Å; L716-L829 HydrophobicContact CD1-CG 4.4Å; L716-L829 HydrophobicContact CD2-CD1 4.29Å; I827-L829 PolarHBondContact O-N 3.08Å; L829-F831 PolarHBondContact O-N 3.32Å; L829-I832 PolarHBondContact O-N 2.86Å; L829-I832 VanDerWaalsContact O-N 3.14Å; L829-V833 HydrophobicContact CD2-CG2 3.62Å; L829-V833 HydrophobicContact CG-CG2 4.05Å; L829-V833 WeakPolarHBondContact O-CG2 3.36Å; L829-V833 PolarHBondContact O-N 3.37Å
830	R	88.3	Confident	88	Confident	178 Å²	178	87.8 Å²	87.8	67%	0.672	44%	0.442	S	S	*	.	H	α-helix	trans	-52.8	-38.1	173.6	69.7	-176.6	-178.3	-165.7	-3	113.4	P828 L834	P828-R830 HydrophobicContact CB-CG 4.35Å; P828-R830 PolarHBondContact O-N 2.82Å; R830-L834 VanDerWaalsContact O-CB 3.25Å; R830-L834 WeakPolarHBondContact O-CB 3.42Å; R830-L834 PolarHBondContact O-N 2.85Å
831	F	89.6	Confident	87.7	Confident	98 Å²	98	94.2 Å²	94.2	43%	0.43	46%	0.463	S	S	.	.	H	α-helix	trans	-79.6	-34.8	179.5	-63.2	-65.3	0	0	0	111.8	I827 P828 L829 L834 A835	I827-F831 HydrophobicContact CG2-CB 3.81Å; P828-F831 HydrophobicContact CB-CD2 4.2Å; P828-F831 HydrophobicContact CG-CD2 4.41Å; P828-F831 HydrophobicContact CG-CE2 4.48Å; P828-F831 PolarHBondContact O-N 3.26Å; L829-F831 PolarHBondContact O-N 3.32Å; F831-L834 PolarHBondContact O-N 3.14Å; F831-A835 VanDerWaalsContact O-CB 3.3Å; F831-A835 WeakPolarHBondContact O-CB 3.43Å; F831-A835 PolarHBondContact O-N 3.45Å
832	I	86.9	Confident	87.3	Confident	56 Å²	56	96.1 Å²	96.1	29%	0.287	48%	0.475	S	S	.	.	H	α-helix	trans	-63.3	-48.1	174.3	-55.3	177.7	0	0	0	109.7	I823 V824 I827 L829 A835 W836	I823-I832 HydrophobicContact CG2-CD1 3.87Å; I823-I832 HydrophobicContact CG2-CG1 4.42Å; V824-I832 HydrophobicContact CG2-CD1 3.94Å; I827-I832 HydrophobicContact CB-CD1 4.45Å; I827-I832 HydrophobicContact CB-CG1 4.29Å; I827-I832 HydrophobicContact CG2-CG1 3.86Å; I827-I832 WeakPolarHBondContact O-CD1 3.49Å; L829-I832 PolarHBondContact O-N 2.86Å; L829-I832 VanDerWaalsContact O-N 3.14Å; I832-A835 PolarHBondContact O-N 3.28Å; I832-W836 VanDerWaalsContact O-CB 3.24Å; I832-W836 WeakPolarHBondContact O-CB 3.43Å; I832-W836 PolarHBondContact O-N 2.91Å
833	V	87.7	Confident	86.5	Confident	80 Å²	80	94.5 Å²	94.5	49%	0.485	47%	0.465	S	S	.	.	H	α-helix	trans	-64.9	-38.9	176.9	174	0	0	0	0	111.7	L829 G837	L829-V833 HydrophobicContact CD2-CG2 3.62Å; L829-V833 HydrophobicContact CG-CG2 4.05Å; L829-V833 WeakPolarHBondContact O-CG2 3.36Å; L829-V833 PolarHBondContact O-N 3.37Å; V833-G837 PolarHBondContact O-N 2.84Å
834	L	89.8	Confident	85.6	Confident	113 Å²	113	96.7 Å²	96.7	59%	0.592	47%	0.471	S	S	*	.	H	α-helix	trans	-63.8	-48.4	175.2	-177.1	66	0	0	0	111.7	R830 F831 G837 V838	R830-L834 VanDerWaalsContact O-CB 3.25Å; R830-L834 WeakPolarHBondContact O-CB 3.42Å; R830-L834 PolarHBondContact O-N 2.85Å; F831-L834 PolarHBondContact O-N 3.14Å; L834-G837 PolarHBondContact O-N 2.96Å; L834-V838 HydrophobicContact CD1-CG2 4.5Å; L834-V838 WeakPolarHBondContact O-CB 3.5Å; L834-V838 VanDerWaalsContact O-CG2 3.31Å; L834-V838 WeakPolarHBondContact O-CG2 3.42Å; L834-V838 PolarHBondContact O-N 3.49Å
835	A	86.8	Confident	85	Confident	63 Å²	63	102 Å²	102	52%	0.521	50%	0.498	S	S	.	.	H	α-helix	trans	-65	-42.5	179	0	0	0	0	0	112	F831 I832 V838 N839	F831-A835 VanDerWaalsContact O-CB 3.3Å; F831-A835 WeakPolarHBondContact O-CB 3.43Å; F831-A835 PolarHBondContact O-N 3.45Å; I832-A835 PolarHBondContact O-N 3.28Å; A835-V838 PolarHBondContact O-N 3.31Å; A835-N839 WeakPolarHBondContact O-CB 3.35Å; A835-N839 PolarHBondContact O-N 3.33Å
836	W	86.9	Confident	84.1	Confident	168 Å²	168	106.1 Å²	106.1	64%	0.636	51%	0.512	S	S	*	.	H	α-helix	trans	-61.4	-44.4	173.4	178.6	88.8	0	0	0	111.7	I832 N839 K840	I832-W836 VanDerWaalsContact O-CB 3.24Å; I832-W836 WeakPolarHBondContact O-CB 3.43Å; I832-W836 PolarHBondContact O-N 2.91Å; W836-N839 PolarHBondContact O-N 3.03Å; W836-K840 VanDerWaalsContact O-CB 3.32Å; W836-K840 WeakPolarHBondContact O-CB 3.43Å; W836-K840 PolarHBondContact O-N 3.4Å
837	G	86.1	Confident	82.8	Confident	14 Å²	14	102.4 Å²	102.4	14%	0.144	50%	0.499	C	S	.	.	H	α-helix	trans	-61.5	-50.7	176.4	0	0	0	0	0	112	V833 L834 N839 K840 F841	V833-G837 PolarHBondContact O-N 2.84Å; L834-G837 PolarHBondContact O-N 2.96Å; G837-N839 VanDerWaalsContact C-N 3.32Å; G837-N839 PolarHBondContact O-N 3.48Å; G837-K840 PolarHBondContact O-N 3.19Å; G837-K840 VanDerWaalsContact O-N 3.17Å; G837-F841 WeakPolarHBondContact O-CD2 3.22Å; G837-F841 PolarHBondContact O-N 2.91Å
838	V	89.5	Confident	81.7	Confident	81 Å²	81	103.9 Å²	103.9	49%	0.491	51%	0.513	S	S	.	.	H	α-helix	trans	-56.9	-46	175.7	170.7	0	0	0	0	110.5	L834 A835 F841 T842	L834-V838 HydrophobicContact CD1-CG2 4.5Å; L834-V838 WeakPolarHBondContact O-CB 3.5Å; L834-V838 VanDerWaalsContact O-CG2 3.31Å; L834-V838 WeakPolarHBondContact O-CG2 3.42Å; L834-V838 PolarHBondContact O-N 3.49Å; A835-V838 PolarHBondContact O-N 3.31Å; V838-F841 PolarHBondContact O-N 2.99Å; V838-T842 HydrophobicContact CG1-CG2 4.31Å; V838-T842 WeakPolarHBondContact O-CB 3.31Å; V838-T842 WeakPolarHBondContact O-CG2 3.22Å; V838-T842 PolarHBondContact O-N 3.47Å; V838-T842 PolarHBondContact O-OG1 2.91Å
839	N	83.6	Confident	80.3	Confident	98 Å²	98	110.2 Å²	110.2	52%	0.524	53%	0.529	S	S	.	.	H	α-helix	trans	-60.9	-46.7	175.9	-172.5	29.3	0	0	0	111.7	A835 W836 G837 F841 T842 K843	A835-N839 WeakPolarHBondContact O-CB 3.35Å; A835-N839 PolarHBondContact O-N 3.33Å; W836-N839 PolarHBondContact O-N 3.03Å; G837-N839 VanDerWaalsContact C-N 3.32Å; G837-N839 PolarHBondContact O-N 3.48Å; N839-F841 VanDerWaalsContact C-N 3.35Å; N839-F841 PolarHBondContact O-N 2.91Å; N839-T842 PolarHBondContact O-N 3.23Å; N839-K843 WeakPolarHBondContact O-CB 3.5Å; N839-K843 PolarHBondContact O-N 3.43Å
840	K	80.8	Confident	79	Confident	115 Å²	115	108.2 Å²	108.2	50%	0.5	52%	0.521	S	S	.	.	H	α-helix	trans	-62.8	-38.1	-179.2	-165.3	69	175.7	176.2	0	112.5	W836 G837	W836-K840 VanDerWaalsContact O-CB 3.32Å; W836-K840 WeakPolarHBondContact O-CB 3.43Å; W836-K840 PolarHBondContact O-N 3.4Å; G837-K840 PolarHBondContact O-N 3.19Å; G837-K840 VanDerWaalsContact O-N 3.17Å
841	F	82.5	Confident	77.7	Confident	169 Å²	169	105.9 Å²	105.9	74%	0.741	52%	0.521	S	S	*	.	H	α-helix	trans	-78.4	-29.4	175.5	-72.2	-63.4	0	0	0	113.6	G837 V838 N839	G837-F841 WeakPolarHBondContact O-CD2 3.22Å; G837-F841 PolarHBondContact O-N 2.91Å; V838-F841 PolarHBondContact O-N 2.99Å; N839-F841 VanDerWaalsContact C-N 3.35Å; N839-F841 PolarHBondContact O-N 2.91Å
842	T	82	Confident	76.5	Confident	61 Å²	61	105.8 Å²	105.8	37%	0.374	53%	0.525	S	S	.	.	H	α-helix	trans	-93.2	-19.6	-178.3	57.7	0	0	0	0	114.9	V838 N839 K844 L845 R846	V838-T842 HydrophobicContact CG1-CG2 4.31Å; V838-T842 WeakPolarHBondContact O-CB 3.31Å; V838-T842 WeakPolarHBondContact O-CG2 3.22Å; V838-T842 PolarHBondContact O-N 3.47Å; V838-T842 PolarHBondContact O-OG1 2.91Å; N839-T842 PolarHBondContact O-N 3.23Å; T842-K844 PolarHBondContact O-N 3.47Å; T842-L845 WeakPolarHBondContact O-CB 3.31Å; T842-L845 PolarHBondContact O-N 2.83Å; T842-R846 WeakPolarHBondContact O-CB 3.27Å; T842-R846 PolarHBondContact O-N 3.22Å
843	K	73.3	Confident	75.6	Confident	56 Å²	56	105 Å²	105	24%	0.243	52%	0.521	C	S	.	.	H	α-helix	trans	-50	-52.5	-179.1	-174.5	173.1	179	178.9	0	111.9	N839 L845 R846 D847 N853	N839-K843 WeakPolarHBondContact O-CB 3.5Å; N839-K843 PolarHBondContact O-N 3.43Å; K843-L845 VanDerWaalsContact C-N 3.32Å; K843-L845 PolarHBondContact O-N 3.32Å; K843-R846 PolarHBondContact O-N 3.22Å; K843-D847 PolarHBondContact O-N 3.17Å; K843-N853 PolarHBondContact NZ-OD1 3.45Å
844	K	72.4	Confident	75.3	Confident	121 Å²	121	105.4 Å²	105.4	53%	0.526	52%	0.52	S	S	.	.	H	α-helix	trans	-75.4	-11.8	179.7	-62.1	-163.2	174.8	-164.7	0	115.4	T842 D852	T842-K844 PolarHBondContact O-N 3.47Å; K844-D852 VanDerWaalsContact CE-OD1 3.3Å; K844-D852 WeakPolarHBondContact CE-OD1 3.37Å; K844-D852 WeakPolarHBondContact CE-OD2 3.47Å; K844-D852 IonicContact NZ-OD1 3.71Å; K844-D852 IonicContact NZ-OD2 3.15Å; K844-D852 PolarHBondContact NZ-OD2 3.2Å
845	L	75.1	Confident	74.9	Confident	150 Å²	150	105.5 Å²	105.5	79%	0.785	52%	0.518	S	S	*	.	H	α-helix	trans	-87.7	-24.6	170.2	-74	166	0	0	0	111.8	T842 K843	T842-L845 WeakPolarHBondContact O-CB 3.31Å; T842-L845 PolarHBondContact O-N 2.83Å; K843-L845 VanDerWaalsContact C-N 3.32Å; K843-L845 PolarHBondContact O-N 3.32Å
846	R	72.6	Confident	74.6	Confident	227 Å²	227	107.8 Å²	107.8	86%	0.857	52%	0.521	S	S	*	.	H	α-helix	trans	-90.6	-31.5	-179.2	-171.6	173.6	-178	172.6	1.2	113	T842 K843	T842-R846 WeakPolarHBondContact O-CB 3.27Å; T842-R846 PolarHBondContact O-N 3.22Å; K843-R846 PolarHBondContact O-N 3.22Å
847	D	61.9	Low	74.4	Confident	71 Å²	71	103 Å²	103	38%	0.38	51%	0.507	S	S	.	.			trans	-143.8	111.2	173.7	-173.1	-22.5	0	0	0	109.8	K843 Y849 T850	K843-D847 PolarHBondContact O-N 3.17Å; D847-Y849 PolarHBondContact O-N 3.32Å; D847-Y849 PolarHBondContact OD1-N 3.44Å; D847-T850 HydrophobicContact CB-CG2 3.76Å; D847-T850 PolarHBondContact O-OG1 3.08Å; D847-T850 PolarHBondContact OD1-N 3.4Å
848	P	65.7	Low	74.3	Confident	105 Å²	105	103.2 Å²	103.2	68%	0.682	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-20.4	179	-21.1	33.3	0	0	0	114.3
849	Y	60.5	Low	74.2	Confident	205 Å²	205	100.2 Å²	100.2	80%	0.804	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.6	3.3	-169.5	-60.3	-77.6	0	0	0	113.6	D847 I851	D847-Y849 PolarHBondContact O-N 3.32Å; D847-Y849 PolarHBondContact OD1-N 3.44Å; Y849-I851 PolarHBondContact O-N 2.65Å
850	T	56.9	Low	74.2	Confident	43 Å²	43	96.2 Å²	96.2	26%	0.264	46%	0.464	S	S	.	.			trans	-61.3	121.4	171.5	50.8	0	0	0	0	111.8	D847	D847-T850 HydrophobicContact CB-CG2 3.76Å; D847-T850 PolarHBondContact O-OG1 3.08Å; D847-T850 PolarHBondContact OD1-N 3.4Å
851	I	61.7	Low	74.4	Confident	130 Å²	130	92.5 Å²	92.5	67%	0.667	45%	0.453	S	S	*	.			trans	-61.1	134.1	165.4	-57.9	173.1	0	0	0	108.3	Y849 N853	Y849-I851 PolarHBondContact O-N 2.65Å; I851-N853 VanDerWaalsContact C-N 3.34Å; I851-N853 PolarHBondContact O-N 3.37Å
852	D	63.4	Low	74.5	Confident	96 Å²	96	85.3 Å²	85.3	51%	0.513	42%	0.42	S	S	.	.			trans	-71.2	88.5	173.9	-84.8	-47.1	0	0	0	110	K844	K844-D852 VanDerWaalsContact CE-OD1 3.3Å; K844-D852 WeakPolarHBondContact CE-OD1 3.37Å; K844-D852 WeakPolarHBondContact CE-OD2 3.47Å; K844-D852 IonicContact NZ-OD1 3.71Å; K844-D852 IonicContact NZ-OD2 3.15Å; K844-D852 PolarHBondContact NZ-OD2 3.2Å
853	N	69.3	Low	74.7	Confident	39 Å²	39	82.5 Å²	82.5	21%	0.209	40%	0.403	C	S	.	.			trans	-89.2	163.2	177.6	81.4	-67.3	0	0	0	112.6	P650 K843 I851 D858	P650-N853 HydrophobicContact CG-CB 4.33Å; K843-N853 PolarHBondContact NZ-OD1 3.45Å; I851-N853 VanDerWaalsContact C-N 3.34Å; I851-N853 PolarHBondContact O-N 3.37Å; N853-D858 WeakPolarHBondContact CB-OD2 3.33Å; N853-D858 PolarHBondContact ND2-OD2 3.35Å
854	N	80	Confident	75.2	Confident	88 Å²	88	80.5 Å²	80.5	47%	0.471	40%	0.396	S	S	.	.			trans	-132.8	101.5	175.2	-179.6	5.2	0	0	0	109	L856 L857 D858	N854-L856 PolarHBondContact O-N 3.26Å; N854-L857 HydrophobicContact CB-CB 4.34Å; N854-L857 HydrophobicContact CB-CD1 4.19Å; N854-L857 HydrophobicContact CB-CG 4.33Å; N854-L857 WeakPolarHBondContact ND2-CD1 3.47Å; N854-L857 WeakPolarHBondContact ND2-CG 3.5Å; N854-L857 WeakPolarHBondContact O-CA 3.22Å; N854-L857 PolarHBondContact O-N 3.15Å; N854-D858 PolarHBondContact N-OD2 3.3Å; N854-D858 PolarHBondContact O-N 3.16Å
855	E	81.8	Confident	75.7	Confident	116 Å²	116	75.1 Å²	75.1	54%	0.542	37%	0.373	S	S	.	.	H	α-helix	trans	-51.7	-32.1	-170.3	-65.7	157.6	-146.8	0	0	113.8	F859	E855-F859 VanDerWaalsContact O-CB 3.32Å; E855-F859 WeakPolarHBondContact O-CB 3.28Å; E855-F859 PolarHBondContact O-N 3.42Å
856	L	81	Confident	75.9	Confident	111 Å²	111	68.9 Å²	68.9	58%	0.581	34%	0.341	S	S	*	.	H	α-helix	trans	-72.4	-37.7	176.1	-178.7	60.9	0	0	0	112.8	N854 L860	N854-L856 PolarHBondContact O-N 3.26Å; L856-L860 HydrophobicContact CD1-CD1 4.26Å; L856-L860 HydrophobicContact CD1-CG 4.42Å; L856-L860 HydrophobicContact CG-CD1 4.18Å; L856-L860 WeakPolarHBondContact O-CB 3.33Å; L856-L860 VanDerWaalsContact O-CG 3.26Å; L856-L860 WeakPolarHBondContact O-CG 3.31Å; L856-L860 PolarHBondContact O-N 3.07Å
857	L	82.1	Confident	76.2	Confident	68 Å²	68	59.2 Å²	59.2	36%	0.356	31%	0.307	S	S	.	.	H	α-helix	trans	-76.3	-37.1	174.6	-61.4	177.9	0	0	0	110.7	Y794 N854 F859 L860 S861	Y794-L857 HydrophobicContact CD1-CD2 4.22Å; Y794-L857 HydrophobicContact CE1-CD2 3.75Å; N854-L857 HydrophobicContact CB-CB 4.34Å; N854-L857 HydrophobicContact CB-CD1 4.19Å; N854-L857 HydrophobicContact CB-CG 4.33Å; N854-L857 WeakPolarHBondContact ND2-CD1 3.47Å; N854-L857 WeakPolarHBondContact ND2-CG 3.5Å; N854-L857 WeakPolarHBondContact O-CA 3.22Å; N854-L857 PolarHBondContact O-N 3.15Å; L857-F859 VanDerWaalsContact C-N 3.29Å; L857-F859 PolarHBondContact O-N 3.49Å; L857-L860 PolarHBondContact O-N 3.2Å; L857-S861 VanDerWaalsContact O-CB 3.24Å; L857-S861 WeakPolarHBondContact O-CB 3.46Å; L857-S861 PolarHBondContact O-N 2.93Å; L857-S861 PolarHBondContact O-OG 2.89Å
858	D	84.4	Confident	77.1	Confident	18 Å²	18	58.1 Å²	58.1	10%	0.096	30%	0.3	C	S	.	.	H	α-helix	trans	-58.6	-42.3	172.2	-63.3	-38.8	0	0	0	110.7	T647 P650 N853 N854 S861 R862	T647-D858 CarbonylContact O-C 3.58Å; P650-D858 WeakPolarHBondContact CA-OD1 3.35Å; N853-D858 WeakPolarHBondContact CB-OD2 3.33Å; N853-D858 PolarHBondContact ND2-OD2 3.35Å; N854-D858 PolarHBondContact N-OD2 3.3Å; N854-D858 PolarHBondContact O-N 3.16Å; D858-S861 PolarHBondContact O-OG 3.24Å; D858-R862 PolarHBondContact O-NH1 2.87Å
859	F	86.9	Confident	77.9	Confident	18 Å²	18	54.6 Å²	54.6	8%	0.079	28%	0.276	C	S	.	.	H	α-helix	trans	-66.1	-53.8	172.4	173.4	-92.8	0	0	0	112.4	T647 T801 L809 L812 A813 E855 L857 S861 R862 V863	T647-F859 PolarHBondContact O-N 3.44Å; T801-F859 HydrophobicContact CG2-CE1 3.97Å; T801-F859 HydrophobicContact CG2-CZ 4.15Å; L809-F859 HydrophobicContact CB-CE2 4.04Å; L809-F859 HydrophobicContact CB-CZ 3.94Å; L809-F859 HydrophobicContact CD2-CD2 4.12Å; L809-F859 HydrophobicContact CD2-CE2 3.65Å; L809-F859 HydrophobicContact CD2-CZ 4.32Å; L809-F859 HydrophobicContact CG-CE2 4.42Å; L809-F859 WeakPolarHBondContact O-CZ 3.18Å; L812-F859 HydrophobicContact CB-CE2 4.35Å; L812-F859 HydrophobicContact CD2-CD2 3.8Å; L812-F859 HydrophobicContact CD2-CE2 3.74Å; A813-F859 HydrophobicContact CB-CZ 3.98Å; E855-F859 VanDerWaalsContact O-CB 3.32Å; E855-F859 WeakPolarHBondContact O-CB 3.28Å; E855-F859 PolarHBondContact O-N 3.42Å; L857-F859 VanDerWaalsContact C-N 3.29Å; L857-F859 PolarHBondContact O-N 3.49Å; F859-S861 VanDerWaalsContact C-N 3.27Å; F859-S861 PolarHBondContact O-N 3.23Å; F859-R862 WeakPolarHBondContact O-CB 3.49Å; F859-R862 PolarHBondContact O-N 3.44Å; F859-R862 VanDerWaalsContact O-N 3.14Å; F859-V863 HydrophobicContact CE1-CG2 4.36Å
860	L	84.9	Confident	78.8	Confident	13 Å²	13	45.2 Å²	45.2	7%	0.068	24%	0.24	C	C	.	.	H	α-helix	trans	-62.7	-32.2	-176.7	-75.2	171.6	0	0	0	112.7	R797 I798 L856 L857 R862 V863	R797-L860 HydrophobicContact CB-CD2 4.38Å; R797-L860 WeakPolarHBondContact CD-O 3.23Å; R797-L860 PolarHBondContact NE-O 3.13Å; I798-L860 HydrophobicContact CD1-CD1 4.23Å; I798-L860 HydrophobicContact CG1-CD1 3.84Å; I798-L860 HydrophobicContact CG1-CD2 3.77Å; I798-L860 HydrophobicContact CG1-CG 4.49Å; L856-L860 HydrophobicContact CD1-CD1 4.26Å; L856-L860 HydrophobicContact CD1-CG 4.42Å; L856-L860 HydrophobicContact CG-CD1 4.18Å; L856-L860 WeakPolarHBondContact O-CB 3.33Å; L856-L860 VanDerWaalsContact O-CG 3.26Å; L856-L860 WeakPolarHBondContact O-CG 3.31Å; L856-L860 PolarHBondContact O-N 3.07Å; L857-L860 PolarHBondContact O-N 3.2Å; L860-R862 PolarHBondContact O-N 3.43Å; L860-V863 WeakPolarHBondContact O-CB 3.38Å; L860-V863 PolarHBondContact O-N 3.2Å; L860-V863 VanDerWaalsContact O-N 3.08Å
861	S	84.1	Confident	79.9	Confident	38 Å²	38	45.5 Å²	45.5	27%	0.266	24%	0.238	S	C	.	.	H	α-helix	trans	-60	-25.2	177.8	71.5	0	0	0	0	113.6	V651 R797 L857 D858 F859	V651-S861 WeakPolarHBondContact CG2-OG 3.37Å; R797-S861 PolarHBondContact NH2-O 3.32Å; L857-S861 VanDerWaalsContact O-CB 3.24Å; L857-S861 WeakPolarHBondContact O-CB 3.46Å; L857-S861 PolarHBondContact O-N 2.93Å; L857-S861 PolarHBondContact O-OG 2.89Å; D858-S861 PolarHBondContact O-OG 3.24Å; F859-S861 VanDerWaalsContact C-N 3.27Å; F859-S861 PolarHBondContact O-N 3.23Å
862	R	84.9	Confident	80.8	Confident	17 Å²	17	41.5 Å²	41.5	6%	0.064	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-12.2	178.8	-67.2	175	168.1	88.2	-1.9	114.1	D576 H578 R646 T647 T649 V651 L809 D858 F859 L860	D576-R862 IonicContact OD1-NE 2.76Å; D576-R862 IonicContact OD2-CZ 2.71Å; D576-R862 IonicContact OD2-NE 3.15Å; D576-R862 PolarHBondContact OD2-NE 2.86Å; D576-R862 IonicContact OD2-NH2 2.69Å; D576-R862 PolarHBondContact OD2-NH2 3.2Å; H578-R862 HydrophobicContact CB-CB 3.86Å; H578-R862 HydrophobicContact CB-CG 4.01Å; R646-R862 PolarHBondContact O-NH2 3.13Å; T647-R862 PolarHBondContact O-NH1 3.49Å; T649-R862 PolarHBondContact O-NH1 2.7Å; T649-R862 PolarHBondContact O-NH2 2.95Å; V651-R862 HydrophobicContact CG2-CG 4.01Å; L809-R862 HydrophobicContact CD1-CB 4.23Å; L809-R862 WeakPolarHBondContact CD1-O 3.23Å; D858-R862 PolarHBondContact O-NH1 2.87Å; F859-R862 WeakPolarHBondContact O-CB 3.49Å; F859-R862 PolarHBondContact O-N 3.44Å; F859-R862 VanDerWaalsContact O-N 3.14Å; L860-R862 PolarHBondContact O-N 3.43Å
863	V	85.2	Confident	81.6	Confident	2 Å²	2	40.5 Å²	40.5	1%	0.012	21%	0.207	C	C	.	.	S	Bend	trans	-77	137.5	167.7	-169.8	0	0	0	0	107.2	R797 N800 T801 L809 F859 L860	R797-V863 HydrophobicContact CB-CB 4.1Å; R797-V863 HydrophobicContact CB-CG1 4.41Å; R797-V863 HydrophobicContact CG-CB 4.09Å; R797-V863 VanDerWaalsContact CG-O 3.32Å; R797-V863 WeakPolarHBondContact CG-O 3.5Å; R797-V863 PolarHBondContact NE-O 3.29Å; R797-V863 WeakPolarHBondContact O-CG1 3.39Å; N800-V863 HydrophobicContact CB-CG1 3.78Å; T801-V863 WeakPolarHBondContact OG1-CG2 3.46Å; L809-V863 HydrophobicContact CD1-CB 4.33Å; L809-V863 HydrophobicContact CD1-CG2 3.72Å; F859-V863 HydrophobicContact CE1-CG2 4.36Å; L860-V863 WeakPolarHBondContact O-CB 3.38Å; L860-V863 PolarHBondContact O-N 3.2Å; L860-V863 VanDerWaalsContact O-N 3.08Å
864	P	83.8	Confident	81.8	Confident	14 Å²	14	43.3 Å²	43.3	9%	0.091	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-72	141.7	173.4	29.1	-34.7	0	0	0	111.3	N800 T805 V806 Q868 V869 Y872	N800-P864 PolarHBondContact ND2-O 3.13Å; T805-P864 HydrophobicContact CG2-CG 4.32Å; V806-P864 HydrophobicContact CG2-CG 3.9Å; P864-Q868 HydrophobicContact CB-CB 3.84Å; P864-V869 HydrophobicContact CB-CG2 3.94Å; P864-V869 HydrophobicContact CG-CG2 3.83Å; P864-Y872 HydrophobicContact CB-CE2 4.42Å
865	S	83.9	Confident	81.5	Confident	8 Å²	8	41.8 Å²	41.8	6%	0.056	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-70.3	165.4	163.6	65.6	0	0	0	0	111.3	E796 V867 Q868 V869	E796-S865 WeakPolarHBondContact OE2-CB 3.47Å; S865-V867 PolarHBondContact O-N 3.29Å; S865-Q868 WeakPolarHBondContact O-CB 3.44Å; S865-Q868 PolarHBondContact O-N 2.92Å; S865-Q868 WeakPolarHBondContact OG-CG 3.43Å; S865-Q868 PolarHBondContact OG-N 3.33Å; S865-Q868 PolarHBondContact OG-OE1 2.88Å; S865-V869 WeakPolarHBondContact O-CG2 3.33Å; S865-V869 PolarHBondContact O-N 3.36Å
866	D	78.9	Confident	80.9	Confident	19 Å²	19	45.6 Å²	45.6	10%	0.102	23%	0.226	C	C	.	.	H	α-helix	trans	-61.9	-33	-177.3	-72.1	16	0	0	0	110.7	E796 K799 N800 V869 V870	E796-D866 HydrophobicContact CG-CB 4.14Å; E796-D866 PolarHBondContact OE2-N 3.45Å; E796-D866 VanDerWaalsContact OE2-N 3.11Å; K799-D866 IonicContact NZ-OD2 2.91Å; K799-D866 PolarHBondContact NZ-OD2 2.83Å; N800-D866 PolarHBondContact ND2-OD1 3.32Å; N800-D866 PolarHBondContact OD1-OD1 3.36Å; D866-V869 PolarHBondContact O-N 2.83Å; D866-V870 PolarHBondContact O-N 2.92Å
867	V	78.9	Confident	79.9	Confident	24 Å²	24	44.6 Å²	44.6	15%	0.145	22%	0.22	C	C	.	.	H	α-helix	trans	-64.3	-43.7	172.4	-179.3	0	0	0	0	111.9	S865 V869 V870 Q871	S865-V867 PolarHBondContact O-N 3.29Å; V867-V869 VanDerWaalsContact C-N 3.35Å; V867-V870 PolarHBondContact O-N 2.86Å; V867-Q871 WeakPolarHBondContact O-CG 3.38Å; V867-Q871 PolarHBondContact O-N 3.41Å
868	Q	81.4	Confident	78.1	Confident	49 Å²	49	48.3 Å²	48.3	23%	0.229	24%	0.241	C	C	.	.	H	α-helix	trans	-67.5	-35.2	178.2	-75.9	173.4	-29.2	0	0	111.9	P864 S865 V870 Q871 Y872	P864-Q868 HydrophobicContact CB-CB 3.84Å; S865-Q868 WeakPolarHBondContact O-CB 3.44Å; S865-Q868 PolarHBondContact O-N 2.92Å; S865-Q868 WeakPolarHBondContact OG-CG 3.43Å; S865-Q868 PolarHBondContact OG-N 3.33Å; S865-Q868 PolarHBondContact OG-OE1 2.88Å; Q868-V870 VanDerWaalsContact C-N 3.34Å; Q868-V870 PolarHBondContact O-N 3.37Å; Q868-Q871 PolarHBondContact O-N 3.15Å; Q868-Y872 HydrophobicContact CB-CD2 4.36Å; Q868-Y872 HydrophobicContact CB-CE2 3.75Å; Q868-Y872 HydrophobicContact CG-CE2 4.37Å; Q868-Y872 WeakPolarHBondContact O-CB 3.41Å; Q868-Y872 WeakPolarHBondContact O-CD2 3.18Å; Q868-Y872 PolarHBondContact O-N 3.3Å
869	V	82.4	Confident	76	Confident	30 Å²	30	53.5 Å²	53.5	18%	0.182	28%	0.276	C	S	.	.	H	α-helix	trans	-57.9	-46	173.4	175.2	0	0	0	0	110.8	T805 P864 S865 D866 V867 Y872 Q873	T805-V869 HydrophobicContact CG2-CG2 3.63Å; P864-V869 HydrophobicContact CB-CG2 3.94Å; P864-V869 HydrophobicContact CG-CG2 3.83Å; S865-V869 WeakPolarHBondContact O-CG2 3.33Å; S865-V869 PolarHBondContact O-N 3.36Å; D866-V869 PolarHBondContact O-N 2.83Å; V867-V869 VanDerWaalsContact C-N 3.35Å; V869-Y872 CarbonylContact O-C 3.4Å; V869-Y872 PolarHBondContact O-N 2.88Å; V869-Q873 WeakPolarHBondContact O-CB 3.47Å; V869-Q873 PolarHBondContact O-N 2.99Å
870	V	78.9	Confident	73.3	Confident	9 Å²	9	58.3 Å²	58.3	6%	0.055	30%	0.302	C	S	.	.	H	α-helix	trans	-65.2	-44.3	176.1	173.3	0	0	0	0	111.8	K618 V747 E748 L751 D866 V867 Q868 Y872 Q873	K618-V870 PolarHBondContact NZ-O 3.28Å; V747-V870 HydrophobicContact CG1-CG2 4.32Å; E748-V870 WeakPolarHBondContact OE2-CG1 3.4Å; L751-V870 HydrophobicContact CD1-CG1 3.93Å; L751-V870 HydrophobicContact CD1-CG2 4.47Å; D866-V870 PolarHBondContact O-N 2.92Å; V867-V870 PolarHBondContact O-N 2.86Å; Q868-V870 VanDerWaalsContact C-N 3.34Å; Q868-V870 PolarHBondContact O-N 3.37Å; V870-Y872 VanDerWaalsContact C-N 3.26Å; V870-Y872 PolarHBondContact O-N 2.71Å; V870-Q873 VanDerWaalsContact O-CB 3.29Å; V870-Q873 WeakPolarHBondContact O-CB 3.4Å; V870-Q873 PolarHBondContact O-N 3.37Å
871	Q	79.6	Confident	71.1	Confident	48 Å²	48	63.7 Å²	63.7	22%	0.224	34%	0.338	C	S	.	.	H	α-helix	trans	-58.2	-39.5	176.7	-71.7	177.7	-46.8	0	0	112	K618 E621 L622 V867 Q868	K618-Q871 PolarHBondContact NZ-O 3.29Å; E621-Q871 PolarHBondContact O-NE2 3.19Å; L622-Q871 HydrophobicContact CB-CB 3.89Å; L622-Q871 HydrophobicContact CB-CG 3.84Å; L622-Q871 HydrophobicContact CD1-CB 4.39Å; V867-Q871 WeakPolarHBondContact O-CG 3.38Å; V867-Q871 PolarHBondContact O-N 3.41Å; Q868-Q871 PolarHBondContact O-N 3.15Å
872	Y	81.3	Confident	68.4	Low	47 Å²	47	65.8 Å²	65.8	18%	0.184	35%	0.353	C	S	.	.	H	α-helix	trans	-87.2	-4.6	177.7	-50.5	-27.6	0	0	0	114.1	V580 A601 P603 P864 Q868 V869 V870 Q874	V580-Y872 HydrophobicContact CG1-CD1 4.14Å; V580-Y872 HydrophobicContact CG1-CE1 3.89Å; V580-Y872 HydrophobicContact CG2-CE1 4.09Å; V580-Y872 HydrophobicContact CG2-CE2 3.91Å; A601-Y872 HydrophobicContact CB-CD1 3.8Å; A601-Y872 HydrophobicContact CB-CE1 4.01Å; P603-Y872 HydrophobicContact CG-CD1 4.41Å; P603-Y872 HydrophobicContact CG-CD2 3.64Å; P603-Y872 HydrophobicContact CG-CE2 4.45Å; P603-Y872 HydrophobicContact CG-CG 3.63Å; P864-Y872 HydrophobicContact CB-CE2 4.42Å; Q868-Y872 HydrophobicContact CB-CD2 4.36Å; Q868-Y872 HydrophobicContact CB-CE2 3.75Å; Q868-Y872 HydrophobicContact CG-CE2 4.37Å; Q868-Y872 WeakPolarHBondContact O-CB 3.41Å; Q868-Y872 WeakPolarHBondContact O-CD2 3.18Å; Q868-Y872 PolarHBondContact O-N 3.3Å; V869-Y872 CarbonylContact O-C 3.4Å; V869-Y872 PolarHBondContact O-N 2.88Å; V870-Y872 VanDerWaalsContact C-N 3.26Å; V870-Y872 PolarHBondContact O-N 2.71Å; Y872-Q874 PolarHBondContact O-N 3.36Å
873	Q	79.4	Confident	66.1	Low	74 Å²	74	71.1 Å²	71.1	35%	0.346	39%	0.389	S	S	.	.			trans	-66.4	124.4	177.3	-175.3	159.7	-83.6	0	0	109.7	K618 E748 V869 V870 L875	K618-Q873 WeakPolarHBondContact CE-O 3.44Å; K618-Q873 PolarHBondContact NZ-O 3.28Å; E748-Q873 PolarHBondContact OE1-NE2 3.33Å; V869-Q873 WeakPolarHBondContact O-CB 3.47Å; V869-Q873 PolarHBondContact O-N 2.99Å; V870-Q873 VanDerWaalsContact O-CB 3.29Å; V870-Q873 WeakPolarHBondContact O-CB 3.4Å; V870-Q873 PolarHBondContact O-N 3.37Å; Q873-L875 PolarHBondContact O-N 3.18Å
874	Q	74.7	Confident	63.7	Low	99 Å²	99	78.1 Å²	78.1	46%	0.463	43%	0.427	S	S	.	.			trans	-73.7	113.2	177.6	-67.9	175.3	6.1	0	0	109.3	Y872	Y872-Q874 PolarHBondContact O-N 3.36Å
875	L	74.2	Confident	61.3	Low	56 Å²	56	87.8 Å²	87.8	29%	0.293	47%	0.467	S	S	.	.			trans	-67	135.2	170.8	-59.2	178.3	0	0	0	109	V616 K618 P625 Q873	V616-L875 HydrophobicContact CB-CB 4.22Å; V616-L875 HydrophobicContact CG1-CD1 4.31Å; V616-L875 HydrophobicContact CG2-CB 4.32Å; K618-L875 HydrophobicContact CG-CD1 4.22Å; P625-L875 HydrophobicContact CB-CD1 3.92Å; Q873-L875 PolarHBondContact O-N 3.18Å
876	K	68.5	Low	58.9	Low	195 Å²	195	98.8 Å²	98.8	85%	0.848	51%	0.507	S	S	*	.			trans	-74.8	140.3	176	-68.4	179.6	-178.1	173.5	0	109.7	D878	K876-D878 PolarHBondContact O-N 3.3Å
877	L	59.4	Low	56.8	Low	90 Å²	90	107.5 Å²	107.5	47%	0.471	54%	0.544	S	S	.	.			trans	-72.2	108.3	163.1	-69.4	165.5	0	0	0	108.2	A614 V616 V629 P879	A614-L877 HydrophobicContact CB-CD1 3.73Å; V616-L877 HydrophobicContact CG2-CD2 3.54Å; V616-L877 HydrophobicContact CG2-CG 4.02Å; V629-L877 HydrophobicContact CG1-CD2 3.6Å; L877-P879 VanDerWaalsContact O-CD 3.3Å; L877-P879 WeakPolarHBondContact O-CD 3.14Å
878	D	44	Very low	54.6	Low	146 Å²	146	115.6 Å²	115.6	78%	0.781	58%	0.578	S	S	*	*			trans	-65.3	115.5	168.1	-92.3	-25.1	0	0	0	108.7	K876 N880	K876-D878 PolarHBondContact O-N 3.3Å; D878-N880 PolarHBondContact O-N 2.55Å
879	P	40.6	Very low	52.1	Low	128 Å²	128	120.4 Å²	120.4	83%	0.831	61%	0.605	S	S	*	*	S	Bend	trans	-78.1	11.4	-170.4	33.5	-37.5	0	0	0	113.2	L877	L877-P879 VanDerWaalsContact O-CD 3.3Å; L877-P879 WeakPolarHBondContact O-CD 3.14Å
880	N	31.2	Very low	49.7	Very low	119 Å²	119	126.6 Å²	126.6	64%	0.636	64%	0.637	S	S	*	*			trans	-156.5	95.3	-169.4	-159	-5.5	0	0	0	112.3	D878 S882	D878-N880 PolarHBondContact O-N 2.55Å; N880-S882 PolarHBondContact O-N 3.06Å
881	P	37.4	Very low	48.2	Very low	125 Å²	125	132.4 Å²	132.4	81%	0.812	68%	0.675	S	S	*	*			trans	-74.3	67.9	175	32.2	-35.3	0	0	0	110.8	P883	P881-P883 WeakPolarHBondContact O-CD 3.46Å
882	S	27.5	Very low	45.9	Very low	83 Å²	83	137.4 Å²	137.4	58%	0.58	74%	0.739	S	S	*	*			trans	-66.9	119.5	-177	72.3	0	0	0	0	110.7	N880 N884	N880-S882 PolarHBondContact O-N 3.06Å; S882-N884 PolarHBondContact O-N 3.3Å
883	P	38	Very low	44.1	Very low	128 Å²	128	141.9 Å²	141.9	83%	0.831	77%	0.767	S	S	*	*	S	Bend	trans	-83.8	53.3	-167.7	34.2	-37.4	0	0	0	112.3	P881	P881-P883 WeakPolarHBondContact O-CD 3.46Å
884	N	34.2	Very low	42.3	Very low	149 Å²	149	145.5 Å²	145.5	80%	0.797	79%	0.789	S	S	*	*			trans	-147.2	47.2	-169.8	-111.8	-24	0	0	0	116.4	S882	S882-N884 PolarHBondContact O-N 3.3Å
885	K	32.8	Very low	40.5	Very low	217 Å²	217	148.1 Å²	148.1	94%	0.943	81%	0.807	S	S	*	*			trans	-126.7	65.9	154.5	-80.8	-168.3	178.2	178.4	0	111.5
886	R	34.3	Very low	38.5	Very low	239 Å²	239	153.5 Å²	153.5	90%	0.902	84%	0.838	S	S	*	*			trans	-105.7	133.9	167.9	-135.3	177.4	-175.7	-175.8	1.3	109.1
887	K	35.1	Very low	36.6	Very low	202 Å²	202	150.9 Å²	150.9	88%	0.878	84%	0.837	S	S	*	*			trans	66.4	108.7	-178.1	-61.9	179.3	170	-178.5	0	116.7
888	K	31.7	Very low	35.1	Very low	195 Å²	195	154.9 Å²	154.9	85%	0.848	86%	0.861	S	S	*	*				-163.6	110.8	100	-110.9	-173.1	178.8	-174.7	0	111.6
889	N	29.5	Very low	34.5	Very low	149 Å²	149	155.6 Å²	155.6	80%	0.797	87%	0.867	S	S	*	*				173.3	107.1	119.1	-84	-11.3	0	0	0	109.8
890	N	30.5	Very low	34	Very low	160 Å²	160	157.7 Å²	157.7	86%	0.856	87%	0.87	S	S	*	*			trans	-90.6	134	148.1	-82.1	41.7	0	0	0	106
891	P	47.4	Very low	34.2	Very low	131 Å²	131	160.9 Å²	160.9	85%	0.851	89%	0.889	S	S	*	*			trans	-71.3	151.8	162.1	31.8	-33.1	0	0	0	110.3
892	G	32.3	Very low	33.9	Very low	153 Å²	153	164.2 Å²	164.2	100%	1.577	90%	0.896	S	S	*	*			trans	-152.9	0	169.1	0	0	0	0	0	108.9

Retrieved 892 of 892 residues in 983.1 ms (Link to these results)

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