A0A075BJU3_DROME Loading...

Piwi

AlphaFold DB , UniProt , Accession A0A075BJU3, Species DROME (Drosophila melanogaster, Fruit fly), Gene piwi, Length 843 aa.

						>A0A075BJU3_DROME|A0A075BJU3|piwi
MADDQGRGRRRPLNEDDSSTSRGSGDGPRVKVFRGSSSGDPRADPRIEASRERGALEEAPRREGGPPERKPWGDQYDYLNTRPVELVSKKGTDGVPVMLQTNFFRLKTKPEWRIVHYHVEFVPTIENPRVRMGVLSNHANLLGSGYLFDGLQLFTTRKFEQEITVLSGKSKLDIEYKISIKFVGFISCAEPRFLQVLNLILRRSMKGLNLELVGRNLFDPRAKIEIREFKMELWPGYETSIRQHEKDILLGTEITHKVMRTETIYDIMRRCSHNPARHQDEVRVNVLDLIVLTDYNNRTYRINDVDFGQTPKSTFSCKGRDISFVEYYLTKYNIRIRDHNQPLLISKNRDKALKTNASELVVLIPELCRVTGLNAEMRSNFQLMRAMSSYTRMNPKQRTDRLRAFNHRLQNTPESVKVLRDWNMELDKNVTEVQGRIIGQQNIVFHNGKVPAGENADWQRHFRDQRMLTTPSDGLDRWAVIAPQRNSHELRTLLDSLYRAASGMGLRIRSPQEFIIYDDRTGTYVRAMDDCVRSDPKLILCLVPNDNAERYSSIKKRGYVDRAVPTQVVTLKTTKNRSLMSIATKIAIQLNCKLGYTPWMIELPLSGLMTIGFDIAKSTRDRKRAYGALIASMDLQQNSTYFSTVTECSAFDVLANTLWPMIAKALRQYQHEHRKLPSRIVFYRDGVSSGSLKQLFEFEVKDIIEKLKTEYARVQLSPPQLAYIVVTRSMNTRFFLNGQNPPPGTIVDDVITLPERYDFYLVSQQVRQGTVSPTSYNVLYSSMGLSPEKMQKLTYKMCHLYYNWSGTTRVPAVCQYAKKLATLVGTNLHSIPQNALEKKFYYL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.8	Very low	31.8	Very low	240 Å²	240	172.9 Å²	172.9	100%	1.182	85%	0.852	S	S	*	*				0	83	0	-59.9	175.6	-177.3	0	0	104.8
2	A	29.7	Very low	32.8	Very low	78 Å²	78	167.5 Å²	167.5	65%	0.645	84%	0.84	S	S	*	*				71.3	98.7	81.9	0	0	0	0	0	108.5
3	D	32.4	Very low	32.6	Very low	158 Å²	158	165.3 Å²	165.3	85%	0.845	83%	0.831	S	S	*	*				99.7	155.9	88.2	-73.7	-15.9	0	0	0	108.1
4	D	34.7	Very low	32.4	Very low	121 Å²	121	162.4 Å²	162.4	65%	0.647	82%	0.82	S	S	*	*			cis	-167.9	165.9	-26.8	-178.9	23.1	0	0	0	106.4
5	Q	33.8	Very low	32.3	Very low	177 Å²	177	161.1 Å²	161.1	83%	0.827	81%	0.809	S	S	*	*			trans	62.2	160	166.1	-69.9	162.2	57.2	0	0	118.3
6	G	29.2	Very low	32.1	Very low	66 Å²	66	159.7 Å²	159.7	68%	0.68	81%	0.805	S	S	*	*			cis	177.4	145.9	-8.2	0	0	0	0	0	113.8
7	R	31.9	Very low	32	Very low	260 Å²	260	159.3 Å²	159.3	98%	0.981	81%	0.806	S	S	*	*			trans	18.5	139.3	153	-59.4	173.8	174.8	178.7	-1.2	121.4
8	G	27.7	Very low	31.8	Very low	83 Å²	83	155.2 Å²	155.2	86%	0.856	79%	0.794	S	S	*	*			trans	176.3	106.3	150.8	0	0	0	0	0	118.5
9	R	30.8	Very low	31.6	Very low	240 Å²	240	152.5 Å²	152.5	91%	0.906	79%	0.791	S	S	*	*			trans	-74	150	170.2	-62.3	161.9	161.7	172.4	-8.6	112.3
10	R	29.5	Very low	31.5	Very low	242 Å²	242	151.6 Å²	151.6	91%	0.913	79%	0.792	S	S	*	*				167.2	144.5	110.7	-94.7	177.9	171.9	169.9	-2.7	114.6
11	R	36.2	Very low	31.4	Very low	237 Å²	237	148.6 Å²	148.6	89%	0.894	78%	0.784	S	S	*	*			trans	-84.3	162.3	151.2	-78	-178.4	170.3	-177.2	-2.8	108.6
12	P	44.1	Very low	31.3	Very low	108 Å²	108	148.9 Å²	148.9	70%	0.701	77%	0.772	S	S	*	*				-157.3	168.2	92.7	41.5	-22.3	0	0	0	118.2
13	L	30.1	Very low	31.3	Very low	139 Å²	139	148.9 Å²	148.9	73%	0.728	78%	0.78	S	S	*	*			trans	64.2	126.7	145.8	-68.4	160.7	0	0	0	119.1
14	N	29.4	Very low	31.3	Very low	125 Å²	125	147.6 Å²	147.6	67%	0.668	78%	0.783	S	S	*	*				73.4	148.3	77.7	-72.6	28.8	0	0	0	112
15	E	30.8	Very low	31	Very low	143 Å²	143	145.8 Å²	145.8	67%	0.668	79%	0.793	S	S	*	*			cis	-160.2	154.7	20.9	-127.1	139.6	-131.1	0	0	110.6
16	D	30.2	Very low	30.9	Very low	138 Å²	138	145 Å²	145	74%	0.738	80%	0.795	S	S	*	*			trans	57.4	130	137.3	-63.6	6.5	0	0	0	123.3
17	D	29.3	Very low	30.8	Very low	153 Å²	153	145.1 Å²	145.1	82%	0.818	80%	0.796	S	S	*	*				80.7	143.8	73.2	-129.7	16.1	0	0	0	111.6
18	S	28.6	Very low	31.3	Very low	85 Å²	85	137.9 Å²	137.9	59%	0.594	78%	0.783	S	S	*	*			cis	-167.7	179.1	20.4	59.3	0	0	0	0	112.4
19	S	28.6	Very low	31.4	Very low	104 Å²	104	145 Å²	145	73%	0.727	78%	0.784	S	S	*	*			trans	74.5	152.1	155.7	87.5	0	0	0	0	118.1
20	T	29.6	Very low	31.3	Very low	134 Å²	134	139.4 Å²	139.4	82%	0.822	78%	0.776	S	S	*	*			cis	-164.9	167.1	-15.9	18.2	0	0	0	0	107.9
21	S	29.1	Very low	31.3	Very low	89 Å²	89	137.2 Å²	137.2	62%	0.622	77%	0.773	S	S	*	*			cis	-163.2	171.9	-14.1	69.5	0	0	0	0	109.9
22	R	32.7	Very low	30.9	Very low	246 Å²	246	132.5 Å²	132.5	93%	0.928	77%	0.77	S	S	*	*			trans	47.8	126.6	154.1	-62.5	171	-179.6	-174.8	0.7	118.5
23	G	29.9	Very low	30.1	Very low	78 Å²	78	136.3 Å²	136.3	80%	0.804	78%	0.776	S	S	*	*			cis	178.7	-164.6	5.4	0	0	0	0	0	107.3
24	S	31	Very low	30	Very low	131 Å²	131	141.2 Å²	141.2	92%	0.916	79%	0.785	S	S	*	*			cis	-162.5	163.6	-9.4	51.4	0	0	0	0	108.7
25	G	28.1	Very low	29.8	Very low	84 Å²	84	138.4 Å²	138.4	87%	0.866	79%	0.785	S	S	*	*			trans	145.6	111.6	178.1	0	0	0	0	0	112.4
26	D	32.1	Very low	29.7	Very low	160 Å²	160	137.3 Å²	137.3	86%	0.856	79%	0.794	S	S	*	*			trans	-113.2	162.4	-157.6	-165	12	0	0	0	114.5
27	G	27.7	Very low	29.6	Very low	68 Å²	68	136.1 Å²	136.1	70%	0.701	80%	0.796	S	S	*	*			trans	177.8	95.3	178.1	0	0	0	0	0	113.7
28	P	42.2	Very low	29.6	Very low	109 Å²	109	134.6 Å²	134.6	71%	0.708	80%	0.797	S	S	*	*			trans	-108.5	144.9	-163.8	38	-34.5	0	0	0	118.3
29	R	29.2	Very low	29.4	Very low	232 Å²	232	134.6 Å²	134.6	88%	0.875	81%	0.811	S	S	*	*			trans	15.8	120.9	137.3	-74.2	-178.9	175.7	-179.8	0.2	123.3
30	V	29.8	Very low	29.4	Very low	123 Å²	123	136.6 Å²	136.6	75%	0.745	81%	0.813	S	S	*	*				67.9	132	109.2	177.4	0	0	0	0	122.7
31	K	29.8	Very low	30.2	Very low	195 Å²	195	135.1 Å²	135.1	85%	0.848	81%	0.806	S	S	*	*			trans	92.3	152.9	145.8	-94.6	171.6	-170.8	179.5	0	123.1
32	V	26.6	Very low	30.2	Very low	139 Å²	139	141.9 Å²	141.9	84%	0.842	82%	0.818	S	S	*	*			trans	123.2	154.4	144.8	-169.4	0	0	0	0	116.6
33	F	26.5	Very low	29.9	Very low	188 Å²	188	134.7 Å²	134.7	83%	0.825	81%	0.811	S	S	*	*			trans	-114.4	170.2	-158.4	-126.6	-89.5	0	0	0	112.3
34	R	28	Very low	29.8	Very low	242 Å²	242	138.3 Å²	138.3	91%	0.913	81%	0.812	S	S	*	*			trans	66.7	148.4	165.7	-61.7	179.6	179	-170.7	-1.1	115.6
35	G	25.7	Very low	30.6	Very low	65 Å²	65	136.2 Å²	136.2	67%	0.67	80%	0.795	S	S	*	*			cis	143.3	112.9	12	0	0	0	0	0	110.4
36	S	28.5	Very low	30.6	Very low	121 Å²	121	143.1 Å²	143.1	85%	0.846	80%	0.795	S	S	*	*			trans	53.2	125.9	155.7	61.9	0	0	0	0	123.3
37	S	28.2	Very low	30.4	Very low	113 Å²	113	142.2 Å²	142.2	79%	0.79	79%	0.789	S	S	*	*				-173.3	138.8	111.2	55.5	0	0	0	0	116
38	S	29.3	Very low	30.3	Very low	120 Å²	120	147 Å²	147	84%	0.839	79%	0.793	S	S	*	*			trans	34.5	132	146.7	59.7	0	0	0	0	124.8
39	G	24.6	Very low	29.5	Very low	85 Å²	85	146.8 Å²	146.8	88%	0.876	80%	0.8	S	S	*	*			trans	168.2	111	152.6	0	0	0	0	0	114.9
40	D	29.3	Very low	29.3	Very low	147 Å²	147	140.6 Å²	140.6	79%	0.786	79%	0.793	S	S	*	*			trans	-128.4	145.3	172.4	-175.5	34.6	0	0	0	107.2
41	P	46.1	Very low	29.2	Very low	102 Å²	102	144.9 Å²	144.9	66%	0.662	80%	0.795	S	S	*	*				-156.8	149.9	93.1	37.7	-16.3	0	0	0	119.5
42	R	29.8	Very low	29.1	Very low	232 Å²	232	142.9 Å²	142.9	88%	0.875	79%	0.789	S	S	*	*			trans	85	129.8	134.4	-76.4	168.4	-174.8	-169.9	0.6	124.5
43	A	26.1	Very low	29.1	Very low	94 Å²	94	148 Å²	148	78%	0.777	79%	0.793	S	S	*	*			trans	91.2	89.7	132.7	0	0	0	0	0	122.8
44	D	26.9	Very low	28.9	Very low	155 Å²	155	143 Å²	143	83%	0.829	79%	0.794	S	S	*	*				25.5	159.2	109.1	-126.1	24.8	0	0	0	120.9
45	P	48.4	Very low	28.8	Very low	87 Å²	87	135.9 Å²	135.9	57%	0.565	79%	0.788	S	S	*	*			cis	-149.5	-176.2	13.2	44.1	-23.3	0	0	0	120
46	R	27.5	Very low	28.8	Very low	228 Å²	228	140 Å²	140	86%	0.86	79%	0.794	S	S	*	*			trans	75.1	149	144.7	-86.9	170.2	-162.5	-166.9	3.4	119.1
47	I	28.2	Very low	28.5	Very low	142 Å²	142	142.6 Å²	142.6	73%	0.728	79%	0.792	S	S	*	*			cis	-137.1	153.8	13.2	-66	-171.8	0	0	0	113.5
48	E	25.2	Very low	28.8	Very low	168 Å²	168	146.9 Å²	146.9	79%	0.785	80%	0.799	S	S	*	*			trans	-36.9	155.6	169.4	-53.3	156.6	125.6	0	0	121.3
49	A	25	Very low	28.5	Very low	104 Å²	104	145.6 Å²	145.6	86%	0.86	80%	0.797	S	S	*	*				-161.9	113.2	117.8	0	0	0	0	0	113.5
50	S	26.4	Very low	28.5	Very low	103 Å²	103	147.4 Å²	147.4	72%	0.72	79%	0.793	S	S	*	*			trans	-57.4	161.9	170.7	-37.5	0	0	0	0	113.4
51	R	28.1	Very low	28.4	Very low	213 Å²	213	152.1 Å²	152.1	80%	0.804	80%	0.799	S	S	*	*				177.1	163	61.4	-115.3	-178.7	171.8	143.3	0.3	107.1
52	E	25.9	Very low	27.5	Very low	152 Å²	152	158.9 Å²	158.9	71%	0.71	81%	0.812	S	S	*	*			cis	-159.9	166.3	-4.5	-146.2	150.4	-138.8	0	0	108.8
53	R	27.1	Very low	27.2	Very low	247 Å²	247	157.1 Å²	157.1	93%	0.932	81%	0.813	S	S	*	*			trans	-108.1	144.2	171.5	-70.3	-176	-176.1	-175.5	2.3	110.8
54	G	22.5	Very low	27.2	Very low	82 Å²	82	156.3 Å²	156.3	85%	0.845	81%	0.814	S	S	*	*			trans	-107.5	134.6	153.4	0	0	0	0	0	109.8
55	A	26.5	Very low	27.1	Very low	94 Å²	94	151.8 Å²	151.8	78%	0.777	81%	0.805	S	S	*	*			trans	-106.9	159.6	170.3	0	0	0	0	0	109.6
56	L	24.5	Very low	26.1	Very low	152 Å²	152	153.4 Å²	153.4	80%	0.796	82%	0.815	S	S	*	*			trans	-178.3	145.2	134.7	-96.1	157.2	0	0	0	112.5
57	E	23.8	Very low	26.1	Very low	175 Å²	175	148.4 Å²	148.4	82%	0.818	81%	0.812	S	S	*	*			trans	67	118.4	151.7	-73.2	167.7	-175	0	0	122.8
58	E	32.8	Very low	26	Very low	202 Å²	202	150.2 Å²	150.2	94%	0.944	82%	0.817	S	S	*	*			trans	-78.7	140.8	160.2	-65.6	-176.4	114.8	0	0	111
59	A	23.5	Very low	26	Very low	94 Å²	94	153 Å²	153	78%	0.777	82%	0.821	S	S	*	*			trans	-133.1	156.2	171.6	0	0	0	0	0	110.4
60	P	25.6	Very low	26	Very low	122 Å²	122	157.1 Å²	157.1	79%	0.792	82%	0.819	S	S	*	*			trans	-80.5	152.3	-142.3	28.5	-36.5	0	0	0	115.9	R62	P60-R62 PolarHBondContact O-N 3.42Å; P60-R62 VanDerWaalsContact O-N 3.11Å
61	R	27.3	Very low	26.1	Very low	247 Å²	247	156.7 Å²	156.7	93%	0.932	81%	0.814	S	S	*	*			trans	-58.1	111.2	168.6	-68.8	178.9	177.3	175.7	0.2	110.1	E63	R61-E63 PolarHBondContact O-N 3.24Å
62	R	25.8	Very low	26.1	Very low	244 Å²	244	157.4 Å²	157.4	92%	0.921	82%	0.817	S	S	*	*			trans	-66.6	121.4	165.2	-76.7	-177	172	177.8	-2.4	109.4	P60 G64	P60-R62 PolarHBondContact O-N 3.42Å; P60-R62 VanDerWaalsContact O-N 3.11Å; R62-G64 PolarHBondContact O-N 3.25Å; R62-G64 VanDerWaalsContact O-N 3.13Å
63	E	25	Very low	26.4	Very low	194 Å²	194	152.3 Å²	152.3	91%	0.907	81%	0.805	S	S	*	*			trans	-60.4	113.8	167.7	-66.5	-173.9	134.5	0	0	109.4	R61 G65	R61-E63 PolarHBondContact O-N 3.24Å; E63-G65 PolarHBondContact O-N 2.8Å
64	G	25.7	Very low	26.8	Very low	77 Å²	77	143.4 Å²	143.4	79%	0.794	78%	0.776	S	S	*	*			trans	-72.3	108.5	170.5	0	0	0	0	0	109.1	R62	R62-G64 PolarHBondContact O-N 3.25Å; R62-G64 VanDerWaalsContact O-N 3.13Å
65	G	25.6	Very low	27.6	Very low	61 Å²	61	147.5 Å²	147.5	63%	0.629	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-53.6	155.2	172.5	0	0	0	0	0	112.1	E63	E63-G65 PolarHBondContact O-N 2.8Å
66	P	25.9	Very low	28.6	Very low	121 Å²	121	145.5 Å²	145.5	79%	0.786	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-57.7	138.5	-173.7	24	-34.1	0	0	0	111.1	E68	P66-E68 PolarHBondContact O-N 2.91Å
67	P	27.7	Very low	29.9	Very low	122 Å²	122	139.7 Å²	139.7	79%	0.792	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-61.2	124.6	-173.4	23.9	-33.9	0	0	0	110.9	R69	P67-R69 PolarHBondContact O-N 3.46Å
68	E	26.7	Very low	31.8	Very low	181 Å²	181	135.4 Å²	135.4	85%	0.846	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-51.3	127.6	179	-71.2	-170.7	132.5	0	0	111.2	P66 K70	P66-E68 PolarHBondContact O-N 2.91Å; E68-K70 VanDerWaalsContact C-N 3.33Å; E68-K70 PolarHBondContact O-N 2.79Å
69	R	25.3	Very low	33.7	Very low	227 Å²	227	127 Å²	127	86%	0.857	65%	0.654	S	S	*	*			trans	-65	91.2	174.6	-76.6	-179	170.7	168	0.2	109.8	P67 P71	P67-R69 PolarHBondContact O-N 3.46Å; R69-P71 VanDerWaalsContact O-CD 3.23Å; R69-P71 WeakPolarHBondContact O-CD 3.31Å; R69-P71 VanDerWaalsContact O-N 3.14Å
70	K	25.2	Very low	36.5	Very low	190 Å²	190	127.1 Å²	127.1	83%	0.826	64%	0.641	S	S	*	*			trans	-52.8	116.9	171.7	-73.3	-178.5	177.4	175.4	0	109.9	E68	E68-K70 VanDerWaalsContact C-N 3.33Å; E68-K70 PolarHBondContact O-N 2.79Å
71	P	27.6	Very low	39.1	Very low	93 Å²	93	122 Å²	122	60%	0.604	61%	0.608	S	S	*	*			trans	-61.4	158.1	177.9	-23.5	34.8	0	0	0	111.6	R69 G73	R69-P71 VanDerWaalsContact O-CD 3.23Å; R69-P71 WeakPolarHBondContact O-CD 3.31Å; R69-P71 VanDerWaalsContact O-N 3.14Å; P71-G73 VanDerWaalsContact C-N 3.33Å; P71-G73 PolarHBondContact O-N 2.89Å
72	W	29.1	Very low	41.8	Very low	228 Å²	228	113.2 Å²	113.2	86%	0.864	57%	0.574	S	S	*	*			trans	-68	87	177.3	-78.9	33	0	0	0	111.4
73	G	30.7	Very low	44.4	Very low	45 Å²	45	104.1 Å²	104.1	46%	0.464	55%	0.547	S	S	.	.			trans	-103.5	127.2	170	0	0	0	0	0	111.7	P71 Q75	P71-G73 VanDerWaalsContact C-N 3.33Å; P71-G73 PolarHBondContact O-N 2.89Å; G73-Q75 PolarHBondContact O-N 2.87Å; G73-Q75 VanDerWaalsContact O-N 3.11Å
74	D	37.3	Very low	47	Very low	60 Å²	60	102 Å²	102	32%	0.321	55%	0.547	S	S	.	.			trans	-56.5	112.5	152.1	-79.6	-60.6	0	0	0	106.4	Y76 Q195 R202	D74-Y76 VanDerWaalsContact C-N 3.27Å; D74-Y76 HydrophobicContact CB-CD2 4.29Å; D74-Y76 HydrophobicContact CB-CE1 4.46Å; D74-Y76 HydrophobicContact CB-CE2 3.74Å; D74-Y76 VanDerWaalsContact O-CD2 3.27Å; D74-Y76 WeakPolarHBondContact O-CD2 3.38Å; D74-Y76 PolarHBondContact O-N 2.88Å; D74-Q195 PolarHBondContact O-NE2 3.06Å; D74-R202 IonicContact OD2-NH2 3.11Å; D74-R202 PolarHBondContact OD2-NH2 3.4Å
75	Q	38.4	Very low	49.5	Very low	169 Å²	169	107.2 Å²	107.2	79%	0.79	55%	0.551	S	S	*	*			trans	-75	86.2	178.2	-168.2	170.1	5.7	0	0	108	G73 D77	G73-Q75 PolarHBondContact O-N 2.87Å; G73-Q75 VanDerWaalsContact O-N 3.11Å; Q75-D77 VanDerWaalsContact C-N 3.35Å; Q75-D77 PolarHBondContact O-N 2.77Å
76	Y	47.7	Very low	52.1	Low	52 Å²	52	105.9 Å²	105.9	20%	0.204	53%	0.529	C	S	.	.			trans	-68.1	96.3	170.4	-63.2	-74.1	0	0	0	108	D74 Y78 L194 Q195 N198	D74-Y76 VanDerWaalsContact C-N 3.27Å; D74-Y76 HydrophobicContact CB-CD2 4.29Å; D74-Y76 HydrophobicContact CB-CE1 4.46Å; D74-Y76 HydrophobicContact CB-CE2 3.74Å; D74-Y76 VanDerWaalsContact O-CD2 3.27Å; D74-Y76 WeakPolarHBondContact O-CD2 3.38Å; D74-Y76 PolarHBondContact O-N 2.88Å; Y76-Y78 VanDerWaalsContact C-N 3.28Å; Y76-Y78 PolarHBondContact O-N 3.03Å; Y76-L194 HydrophobicContact CD2-CB 4.47Å; Y76-L194 HydrophobicContact CE2-CB 4.43Å; Y76-Q195 HydrophobicContact CD2-CG 3.83Å; Y76-Q195 HydrophobicContact CE2-CG 3.65Å; Y76-N198 PolarHBondContact OH-ND2 3.44Å
77	D	52.1	Low	54.5	Low	30 Å²	30	106.5 Å²	106.5	16%	0.16	53%	0.531	C	S	.	.			trans	-62.5	92.7	170.5	-106	-8.2	0	0	0	108.8	Q75 L79 K693	Q75-D77 VanDerWaalsContact C-N 3.35Å; Q75-D77 PolarHBondContact O-N 2.77Å; D77-L79 PolarHBondContact O-N 3.43Å; D77-K693 HydrophobicContact CB-CB 3.94Å; D77-K693 WeakPolarHBondContact OD2-CB 3.38Å
78	Y	62.9	Low	57.2	Low	84 Å²	84	103.3 Å²	103.3	33%	0.329	51%	0.511	S	S	.	.			trans	-81.6	114.6	178.6	-170.6	-92.4	0	0	0	108.5	Y76 A189 E755	Y76-Y78 VanDerWaalsContact C-N 3.28Å; Y76-Y78 PolarHBondContact O-N 3.03Å; Y78-A189 WeakPolarHBondContact CE2-O 3.45Å; Y78-A189 VanDerWaalsContact CZ-O 3.31Å; Y78-E755 HydrophobicContact CD2-CG 4.33Å; Y78-E755 HydrophobicContact CE1-CB 4.44Å; Y78-E755 HydrophobicContact CE2-CB 4.03Å; Y78-E755 HydrophobicContact CE2-CG 3.74Å; Y78-E755 WeakPolarHBondContact OH-CB 3.27Å
79	L	73.3	Confident	60.3	Low	27 Å²	27	94.9 Å²	94.9	14%	0.141	47%	0.471	C	S	.	.			trans	-125.5	113.7	174.5	179.1	71.4	0	0	0	106.6	D77 T81 F696	D77-L79 PolarHBondContact O-N 3.43Å; L79-T81 HydrophobicContact CD2-CG2 3.69Å; L79-T81 HydrophobicContact CG-CG2 3.8Å; L79-T81 PolarHBondContact O-N 3.38Å; L79-F696 HydrophobicContact CD1-CB 4.43Å; L79-F696 HydrophobicContact CD1-CD1 4.07Å; L79-F696 HydrophobicContact CD1-CG 4.22Å; L79-F696 HydrophobicContact CD2-CB 3.56Å; L79-F696 HydrophobicContact CD2-CD2 4.2Å; L79-F696 HydrophobicContact CD2-CG 3.86Å
80	N	81.4	Confident	63.5	Low	96 Å²	96	88.4 Å²	88.4	51%	0.513	45%	0.45	S	S	.	.			trans	-76.3	115.4	170.1	-175	4.4	0	0	0	108.1	R82 E755	N80-R82 PolarHBondContact OD1-N 3.14Å; N80-E755 CarbonylContact C-O 3.49Å; N80-E755 VanDerWaalsContact CA-O 3.31Å; N80-E755 WeakPolarHBondContact CA-O 3.41Å; N80-E755 HydrophobicContact CB-CB 4.45Å; N80-E755 PolarHBondContact OD1-O 2.88Å
81	T	81.3	Confident	66.6	Low	13 Å²	13	79.7 Å²	79.7	8%	0.08	41%	0.414	C	S	.	.			trans	-110.2	-2.8	178.4	69.3	0	0	0	0	112.8	L79 P83 E755 R756 Y757 N777 V778 L779	L79-T81 HydrophobicContact CD2-CG2 3.69Å; L79-T81 HydrophobicContact CG-CG2 3.8Å; L79-T81 PolarHBondContact O-N 3.38Å; T81-P83 VanDerWaalsContact O-CD 3.31Å; T81-P83 WeakPolarHBondContact O-CD 3.43Å; T81-E755 PolarHBondContact N-O 3.06Å; T81-R756 WeakPolarHBondContact OG1-CA 3.32Å; T81-Y757 PolarHBondContact OG1-N 2.85Å; T81-N777 PolarHBondContact OG1-OD1 3.4Å; T81-N777 VanDerWaalsContact OG1-OD1 3.04Å; T81-V778 WeakPolarHBondContact CB-O 3.35Å; T81-V778 PolarHBondContact OG1-O 2.96Å; T81-L779 HydrophobicContact CG2-CD2 3.72Å
82	R	83.7	Confident	69.6	Low	63 Å²	63	80.7 Å²	80.7	24%	0.238	42%	0.418	C	S	.	.	S	Bend	trans	-75.7	117.6	173.2	-172.2	173	-176.6	156.4	-3.4	108.9	N80 L86 V87 E245 P754 E755	N80-R82 PolarHBondContact OD1-N 3.14Å; R82-L86 PolarHBondContact NE-O 3.26Å; R82-V87 PolarHBondContact NH2-O 2.82Å; R82-E245 IonicContact NH1-OE2 3.93Å; R82-E245 PolarHBondContact NH1-OE2 3.26Å; R82-E245 VanDerWaalsContact NH1-OE2 3.11Å; R82-P754 VanDerWaalsContact CD-O 3.31Å; R82-P754 WeakPolarHBondContact CD-O 3.49Å; R82-E755 PolarHBondContact N-O 3.13Å
83	P	81	Confident	72.4	Confident	53 Å²	53	72.5 Å²	72.5	34%	0.344	39%	0.391	S	S	.	.			trans	-60.3	142.9	174.2	-20.4	32.7	0	0	0	110.4	T81 E85 L86	T81-P83 VanDerWaalsContact O-CD 3.31Å; T81-P83 WeakPolarHBondContact O-CD 3.43Å; P83-E85 PolarHBondContact O-N 3.07Å; P83-L86 HydrophobicContact CB-CB 4.09Å; P83-L86 HydrophobicContact CG-CB 4.2Å; P83-L86 WeakPolarHBondContact O-CB 3.42Å; P83-L86 PolarHBondContact O-N 3.25Å
84	V	77.6	Confident	75.4	Confident	151 Å²	151	72.4 Å²	72.4	92%	0.915	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-36.1	179.4	-178.4	0	0	0	0	111.3	L86	V84-L86 VanDerWaalsContact C-N 3.26Å; V84-L86 PolarHBondContact O-N 3.2Å
85	E	78.9	Confident	78.2	Confident	185 Å²	185	74 Å²	74	86%	0.864	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-17.3	175.9	-63.4	163.2	-152	0	0	113.6	P83 V87	P83-E85 PolarHBondContact O-N 3.07Å; E85-V87 PolarHBondContact O-N 3.37Å
86	L	80.4	Confident	81	Confident	33 Å²	33	69.9 Å²	69.9	17%	0.173	39%	0.39	C	S	.	.			trans	-84.3	78.4	-176.5	-169.7	69.6	0	0	0	111.3	R82 P83 V84 S88 K89 Y757 P787	R82-L86 PolarHBondContact NE-O 3.26Å; P83-L86 HydrophobicContact CB-CB 4.09Å; P83-L86 HydrophobicContact CG-CB 4.2Å; P83-L86 WeakPolarHBondContact O-CB 3.42Å; P83-L86 PolarHBondContact O-N 3.25Å; V84-L86 VanDerWaalsContact C-N 3.26Å; V84-L86 PolarHBondContact O-N 3.2Å; L86-S88 VanDerWaalsContact C-N 3.28Å; L86-S88 WeakPolarHBondContact CD1-O 3.34Å; L86-S88 PolarHBondContact O-N 3.5Å; L86-K89 HydrophobicContact CD2-CB 4.09Å; L86-Y757 HydrophobicContact CD2-CD1 3.71Å; L86-Y757 HydrophobicContact CD2-CD2 3.67Å; L86-Y757 HydrophobicContact CD2-CE1 4.08Å; L86-Y757 HydrophobicContact CD2-CE2 4.06Å; L86-Y757 HydrophobicContact CD2-CG 3.5Å; L86-P787 HydrophobicContact CD1-CG 4.17Å
87	V	76.2	Confident	83.3	Confident	135 Å²	135	68.6 Å²	68.6	82%	0.818	39%	0.387	S	S	*	.	S	Bend	trans	-49.6	-48.8	177.3	-178.7	0	0	0	0	111.3	R82 E85	R82-V87 PolarHBondContact NH2-O 2.82Å; E85-V87 PolarHBondContact O-N 3.37Å
88	S	85.3	Confident	85.4	Confident	54 Å²	54	71.6 Å²	71.6	38%	0.378	40%	0.401	S	S	.	.			trans	-133.5	136.7	177.8	-178.6	0	0	0	0	111.5	L86 K90	L86-S88 VanDerWaalsContact C-N 3.28Å; L86-S88 WeakPolarHBondContact CD1-O 3.34Å; L86-S88 PolarHBondContact O-N 3.5Å; S88-K90 WeakPolarHBondContact OG-CB 3.33Å; S88-K90 PolarHBondContact OG-N 2.93Å; S88-K90 VanDerWaalsContact OG-N 3.14Å
89	K	90.1	Very high	87	Confident	4 Å²	4	67.6 Å²	67.6	2%	0.017	39%	0.386	C	S	.	.			trans	-94.9	1.2	169.4	65.3	-177	175.8	-173.4	0	113.6	L86 E245 L753 R756 Y757 D758 P787	L86-K89 HydrophobicContact CD2-CB 4.09Å; K89-E245 WeakPolarHBondContact CE-OE1 3.48Å; K89-E245 IonicContact NZ-OE1 3.15Å; K89-E245 PolarHBondContact NZ-OE1 2.81Å; K89-E245 IonicContact NZ-OE2 3.1Å; K89-L753 PolarHBondContact NZ-O 3.2Å; K89-R756 WeakPolarHBondContact CD-O 3.39Å; K89-R756 PolarHBondContact NZ-O 2.87Å; K89-Y757 HydrophobicContact CB-CD2 3.85Å; K89-Y757 HydrophobicContact CB-CE2 4.19Å; K89-D758 IonicContact NZ-OD1 2.64Å; K89-D758 PolarHBondContact NZ-OD1 2.91Å; K89-P787 VanDerWaalsContact O-CB 3.23Å; K89-P787 WeakPolarHBondContact O-CB 3.36Å
90	K	92.8	Very high	88	Confident	92 Å²	92	68.5 Å²	68.5	40%	0.4	39%	0.389	S	S	.	.			trans	-76	128	178.1	-49	-172.7	-156.1	-168.8	0	110.1	S88 D748 D749	S88-K90 WeakPolarHBondContact OG-CB 3.33Å; S88-K90 PolarHBondContact OG-N 2.93Å; S88-K90 VanDerWaalsContact OG-N 3.14Å; K90-D748 WeakPolarHBondContact CA-OD2 3.23Å; K90-D749 HydrophobicContact CD-CB 4.03Å; K90-D749 WeakPolarHBondContact CE-OD2 3.19Å; K90-D749 HydrophobicContact CG-CB 4.24Å; K90-D749 VanDerWaalsContact NZ-CG 3.28Å; K90-D749 IonicContact NZ-OD1 3.66Å; K90-D749 IonicContact NZ-OD2 3.12Å; K90-D749 PolarHBondContact NZ-OD2 3.4Å
91	G	90.3	Very high	88.6	Confident	7 Å²	7	64 Å²	64	7%	0.072	37%	0.365	C	S	.	.			trans	-80	160.5	167.1	0	0	0	0	0	112.4	R436 D748	G91-R436 PolarHBondContact O-NE 2.79Å; G91-D748 PolarHBondContact N-OD2 2.96Å
92	T	90.3	Very high	89.2	Confident	114 Å²	114	63.4 Å²	63.4	70%	0.699	36%	0.361	S	S	*	.			trans	-108.4	-28.8	-179.9	66.1	0	0	0	0	113.5	E788	T92-E788 WeakPolarHBondContact CB-OE2 3.4Å; T92-E788 PolarHBondContact N-OE2 3.46Å; T92-E788 PolarHBondContact OG1-OE2 2.87Å
93	D	88.2	Confident	89.8	Confident	56 Å²	56	60.7 Å²	60.7	30%	0.299	35%	0.352	S	S	.	.			trans	-55.8	143.6	179.2	-81	-19.3	0	0	0	114.9	R436 E788 K792	D93-R436 WeakPolarHBondContact O-CD 3.29Å; D93-R436 PolarHBondContact O-NH1 2.99Å; D93-E788 HydrophobicContact CB-CB 4.25Å; D93-K792 WeakPolarHBondContact OD2-CE 3.39Å; D93-K792 IonicContact OD2-NZ 2.69Å; D93-K792 PolarHBondContact OD2-NZ 3.23Å
94	G	93.3	Very high	90.4	Very high	42 Å²	42	58.2 Å²	58.2	43%	0.433	34%	0.335	S	S	.	.	S	Bend	trans	95.7	177.2	166.7	0	0	0	0	0	114.9	I437	G94-I437 CarbonylContact C-O 3.56Å; G94-I437 WeakPolarHBondContact CA-O 3.39Å
95	V	96.8	Very high	91.1	Very high	95 Å²	95	55.6 Å²	55.6	58%	0.576	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.5	121.4	-172.5	-178.2	0	0	0	0	110	R436 I437	V95-R436 CarbonylContact O-C 3.59Å; V95-R436 VanDerWaalsContact O-CA 3.27Å; V95-R436 WeakPolarHBondContact O-CA 3.36Å; V95-I437 PolarHBondContact N-O 3.28Å; V95-I437 PolarHBondContact O-N 2.93Å
96	P	96.8	Very high	91.8	Very high	82 Å²	82	47 Å²	47	53%	0.532	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	141.5	178.5	29.1	-34.7	0	0	0	111.3	G435	P96-G435 WeakPolarHBondContact CA-O 3.43Å
97	V	96.8	Very high	92.3	Very high	24 Å²	24	49.7 Å²	49.7	15%	0.145	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	144.4	178.2	-70.7	0	0	0	0	111.3	L99 G435 I437 L736	V97-L99 HydrophobicContact CG2-CD1 4.28Å; V97-L99 HydrophobicContact CG2-CD2 4.13Å; V97-L99 HydrophobicContact CG2-CG 4.09Å; V97-G435 PolarHBondContact N-O 2.86Å; V97-G435 PolarHBondContact O-N 3.04Å; V97-I437 HydrophobicContact CG1-CD1 3.63Å; V97-I437 HydrophobicContact CG1-CG1 4.08Å; V97-I437 HydrophobicContact CG2-CD1 4.3Å; V97-I437 HydrophobicContact CG2-CG1 4Å; V97-L736 HydrophobicContact CB-CD1 4.01Å; V97-L736 HydrophobicContact CG1-CD1 4.34Å
98	M	96.8	Very high	92.8	Very high	93 Å²	93	45.9 Å²	45.9	46%	0.458	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	129.6	169.8	-73.1	-55.1	-56.5	0	0	110.5	E432 Q434 L736	M98-E432 HydrophobicContact CE-CB 3.67Å; M98-Q434 HydrophobicContact SD-CB 3.97Å; M98-Q434 HydrophobicContact SD-CG 4.37Å; M98-L736 WeakPolarHBondContact O-CD1 3.36Å
99	L	95.9	Very high	92.7	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	127.6	-174.6	-62.3	167.3	0	0	0	110.2	V97 E432 V433 F734 F735 L736 P741 T745 V747	V97-L99 HydrophobicContact CG2-CD1 4.28Å; V97-L99 HydrophobicContact CG2-CD2 4.13Å; V97-L99 HydrophobicContact CG2-CG 4.09Å; L99-E432 CarbonylContact O-C 3.39Å; L99-E432 WeakPolarHBondContact O-CA 3.47Å; L99-V433 PolarHBondContact N-O 2.82Å; L99-V433 PolarHBondContact O-N 3.18Å; L99-F734 HydrophobicContact CB-CB 4.35Å; L99-F734 HydrophobicContact CD1-CD2 3.95Å; L99-F734 HydrophobicContact CD1-CE2 4.39Å; L99-F735 CarbonylContact C-O 3.52Å; L99-F735 WeakPolarHBondContact CA-O 3.23Å; L99-L736 HydrophobicContact CD2-CB 3.83Å; L99-L736 HydrophobicContact CD2-CD1 4.03Å; L99-L736 HydrophobicContact CD2-CG 4.48Å; L99-P741 HydrophobicContact CD2-CG 4.44Å; L99-T745 HydrophobicContact CD1-CG2 3.67Å; L99-T745 HydrophobicContact CD2-CG2 4.18Å; L99-V747 HydrophobicContact CD1-CG2 3.49Å; L99-V747 VanDerWaalsContact CD1-CG2 3.49Å
100	Q	93.7	Very high	92	Very high	47 Å²	47	55.9 Å²	55.9	22%	0.22	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	131.8	170.5	-72.1	176.8	-16.8	0	0	108.8	E432 F734 F735	Q100-E432 HydrophobicContact CG-CG 4.07Å; Q100-E432 VanDerWaalsContact CG-OE1 3.28Å; Q100-E432 WeakPolarHBondContact CG-OE1 3.45Å; Q100-E432 PolarHBondContact NE2-OE1 3.35Å; Q100-F734 CarbonylContact O-C 3.22Å; Q100-F734 WeakPolarHBondContact O-CA 3.46Å; Q100-F735 PolarHBondContact N-O 2.91Å; Q100-F735 VanDerWaalsContact O-CD2 3.3Å; Q100-F735 WeakPolarHBondContact O-CD2 3.46Å; Q100-F735 PolarHBondContact O-N 3.31Å
101	T	94.3	Very high	91.4	Very high	1 Å²	1	60 Å²	60	1%	0.006	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	-159.5	-175.9	68.4	0	0	0	0	112.3	F103 V430 T431 V433 R733 F734 F735 I751	T101-F103 PolarHBondContact OG1-N 2.85Å; T101-F103 VanDerWaalsContact OG1-N 3.13Å; T101-V430 WeakPolarHBondContact O-CG1 3.33Å; T101-T431 WeakPolarHBondContact CB-O 3.44Å; T101-T431 WeakPolarHBondContact CG2-O 3.44Å; T101-T431 PolarHBondContact N-O 2.8Å; T101-T431 VanDerWaalsContact N-O 3.12Å; T101-T431 PolarHBondContact OG1-O 3.42Å; T101-V433 HydrophobicContact CG2-CB 4.16Å; T101-V433 HydrophobicContact CG2-CG2 3.48Å; T101-V433 VanDerWaalsContact CG2-CG2 3.48Å; T101-R733 CarbonylContact C-O 3.58Å; T101-R733 WeakPolarHBondContact CA-O 3.36Å; T101-F734 HydrophobicContact CG2-CB 4.39Å; T101-F735 WeakPolarHBondContact O-CE2 3.34Å; T101-I751 HydrophobicContact CG2-CD1 4.06Å; T101-I751 HydrophobicContact CG2-CG2 4.02Å
102	N	94.8	Very high	91.2	Very high	0 Å²	0	61 Å²	61	0%	0	33%	0.33	C	S	.	.	S	Bend	trans	-119.8	27.2	163.1	72.9	-50.5	0	0	0	112.1	T252 L402 N731 R733	N102-T252 PolarHBondContact ND2-O 2.9Å; N102-T252 PolarHBondContact O-N 2.92Å; N102-L402 HydrophobicContact CB-CD2 3.59Å; N102-N731 PolarHBondContact ND2-O 2.76Å; N102-R733 HydrophobicContact CB-CB 3.99Å; N102-R733 PolarHBondContact N-O 2.93Å; N102-R733 PolarHBondContact OD1-N 3.03Å; N102-R733 PolarHBondContact OD1-O 3.03Å; N102-R733 VanDerWaalsContact OD1-O 3.09Å
103	F	94.6	Very high	91	Very high	7 Å²	7	61.9 Å²	61.9	3%	0.031	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	146	178.9	-68.9	-102.8	0	0	0	110.3	T101 H244 L249 L250 T431 T732 I751	T101-F103 PolarHBondContact OG1-N 2.85Å; T101-F103 VanDerWaalsContact OG1-N 3.13Å; F103-H244 AromaticContact CD1-NE2 4Å; F103-H244 AromaticContact CE1-CE1 3.77Å; F103-H244 AromaticContact CE1-NE2 3.5Å; F103-L249 HydrophobicContact CB-CB 4.19Å; F103-L249 HydrophobicContact CB-CD1 4.17Å; F103-L249 HydrophobicContact CD1-CB 3.7Å; F103-L249 HydrophobicContact CD1-CD1 4.13Å; F103-L249 HydrophobicContact CG-CB 4.38Å; F103-L249 HydrophobicContact CG-CD1 4.31Å; F103-L250 WeakPolarHBondContact CA-O 3.31Å; F103-T431 PolarHBondContact O-N 2.89Å; F103-T431 PolarHBondContact O-OG1 2.9Å; F103-T732 HydrophobicContact CE2-CG2 3.84Å; F103-T732 HydrophobicContact CZ-CG2 4.27Å; F103-I751 HydrophobicContact CB-CG2 4.42Å; F103-I751 HydrophobicContact CD2-CB 4.41Å; F103-I751 HydrophobicContact CD2-CG2 3.73Å; F103-I751 HydrophobicContact CE2-CB 4.28Å; F103-I751 HydrophobicContact CE2-CG2 4.1Å; F103-I751 HydrophobicContact CG-CG2 3.97Å
104	F	94.1	Very high	91.1	Very high	1 Å²	1	59.2 Å²	59.2	0%	0.004	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	131.6	169.9	-58	-80.7	0	0	0	108.1	L249 L250 L402 N406 L426 V430	F104-L249 WeakPolarHBondContact O-CA 3.48Å; F104-L250 PolarHBondContact N-O 3.16Å; F104-L250 PolarHBondContact O-N 2.85Å; F104-L402 HydrophobicContact CE2-CD2 4.03Å; F104-L402 HydrophobicContact CZ-CB 4.35Å; F104-L402 HydrophobicContact CZ-CD2 4.13Å; F104-N406 HydrophobicContact CD1-CB 4.33Å; F104-N406 VanDerWaalsContact CD1-ND2 3.3Å; F104-N406 WeakPolarHBondContact CD1-ND2 3.41Å; F104-N406 HydrophobicContact CE1-CB 3.76Å; F104-N406 VanDerWaalsContact CE1-ND2 3.3Å; F104-N406 WeakPolarHBondContact CE1-ND2 3.46Å; F104-N406 HydrophobicContact CE2-CB 4.27Å; F104-N406 HydrophobicContact CZ-CB 3.72Å; F104-L426 HydrophobicContact CB-CD1 3.59Å; F104-L426 HydrophobicContact CB-CG 4.41Å; F104-V430 HydrophobicContact CD1-CG2 4.38Å; F104-V430 HydrophobicContact CE1-CG2 3.63Å; F104-V430 HydrophobicContact CZ-CG2 4.06Å
105	R	93.8	Very high	91	Very high	95 Å²	95	57.3 Å²	57.3	36%	0.358	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	136.2	175.8	-175.7	-177.9	-171.3	-174.9	6.3	109.8	D247 L249 D427 T431	R105-D247 HydrophobicContact CG-CB 4.16Å; R105-D247 IonicContact CZ-OD1 3.72Å; R105-D247 IonicContact CZ-OD2 3.64Å; R105-D247 IonicContact NE-OD1 3.75Å; R105-D247 PolarHBondContact NE-OD1 2.96Å; R105-D247 IonicContact NE-OD2 2.64Å; R105-D247 PolarHBondContact NE-OD2 2.87Å; R105-D247 IonicContact NH2-OD1 3.49Å; R105-D247 PolarHBondContact NH2-OD1 3.35Å; R105-D247 IonicContact NH2-OD2 2.71Å; R105-D247 PolarHBondContact NH2-OD2 2.97Å; R105-L249 HydrophobicContact CB-CD2 3.96Å; R105-L249 HydrophobicContact CG-CD2 4.22Å; R105-D427 HydrophobicContact CB-CB 4.25Å; R105-D427 WeakPolarHBondContact CB-OD2 3.16Å; R105-D427 PolarHBondContact O-N 2.75Å; R105-T431 PolarHBondContact N-OG1 3.18Å
106	L	91.9	Very high	90.7	Very high	4 Å²	4	53.5 Å²	53.5	2%	0.021	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	110.1	162.9	-84.4	76.2	0	0	0	107.7	I241 I248 L250 L419 M424 E425 L426	L106-I241 HydrophobicContact CD2-CD1 3.79Å; L106-I248 HydrophobicContact CB-CB 4.36Å; L106-I248 HydrophobicContact CB-CG2 4.21Å; L106-I248 PolarHBondContact N-O 3.28Å; L106-L250 HydrophobicContact CD1-CB 3.49Å; L106-L250 VanDerWaalsContact CD1-CB 3.49Å; L106-L419 HydrophobicContact CD2-CD2 4.47Å; L106-M424 HydrophobicContact CB-CE 4.2Å; L106-M424 HydrophobicContact CD2-CB 4.4Å; L106-M424 HydrophobicContact CD2-CE 3.61Å; L106-M424 HydrophobicContact CD2-SD 4.1Å; L106-E425 CarbonylContact C-O 3.58Å; L106-E425 WeakPolarHBondContact CA-O 3.23Å; L106-L426 HydrophobicContact CD1-CD1 3.56Å; L106-L426 HydrophobicContact CG-CD1 4.16Å
107	K	90.9	Very high	90.5	Very high	90 Å²	90	49.6 Å²	49.6	39%	0.391	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	134.9	170.2	-72.8	169.6	172.2	158.7	0	108.9	M424 E425 D427	K107-M424 CarbonylContact O-C 3.59Å; K107-M424 WeakPolarHBondContact O-CA 3.44Å; K107-E425 HydrophobicContact CB-CB 4.44Å; K107-E425 PolarHBondContact N-O 2.69Å; K107-E425 PolarHBondContact O-N 2.86Å; K107-D427 WeakPolarHBondContact CD-OD1 3.47Å; K107-D427 WeakPolarHBondContact CE-OD1 3.12Å; K107-D427 VanDerWaalsContact CE-OD2 3.31Å; K107-D427 WeakPolarHBondContact CE-OD2 3.47Å; K107-D427 IonicContact NZ-OD1 3.67Å; K107-D427 PolarHBondContact NZ-OD1 2.78Å; K107-D427 IonicContact NZ-OD2 3.85Å
108	T	87.4	Confident	90.3	Very high	55 Å²	55	50.7 Å²	50.7	34%	0.337	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	169	172.5	56.9	0	0	0	0	109.3	W112 I248 M424	T108-W112 HydrophobicContact CG2-CB 4.39Å; T108-W112 HydrophobicContact CG2-CD2 3.85Å; T108-W112 HydrophobicContact CG2-CE3 4.16Å; T108-W112 HydrophobicContact CG2-CG 3.97Å; T108-I248 HydrophobicContact CG2-CD1 4.2Å; T108-M424 HydrophobicContact CG2-CE 3.85Å; T108-M424 HydrophobicContact CG2-CG 4.26Å
109	K	82.4	Confident	90.1	Very high	125 Å²	125	46.3 Å²	46.3	54%	0.543	22%	0.218	S	C	.	.			trans	-61.2	151.9	167.9	-71.3	177.6	170.6	171.3	0	110.4	E111 W112 N423	K109-E111 VanDerWaalsContact C-N 3.29Å; K109-E111 PolarHBondContact O-N 2.64Å; K109-W112 HydrophobicContact CB-CB 4.43Å; K109-W112 WeakPolarHBondContact O-CB 3.32Å; K109-W112 PolarHBondContact O-N 2.63Å; K109-N423 HydrophobicContact CD-CB 4.15Å; K109-N423 VanDerWaalsContact CE-OD1 3.23Å; K109-N423 WeakPolarHBondContact CE-OD1 3.23Å; K109-N423 HydrophobicContact CG-CB 4.42Å; K109-N423 PolarHBondContact NZ-OD1 3.19Å
110	P	76.8	Confident	90	Very high	143 Å²	143	51.5 Å²	51.5	93%	0.929	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-41.7	-178.3	-29.2	36.2	0	0	0	114.1
111	E	78.9	Confident	89.9	Confident	180 Å²	180	49.8 Å²	49.8	84%	0.841	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.4	35	177.2	-59.1	-167.4	152.8	0	0	113	K109 R113	K109-E111 VanDerWaalsContact C-N 3.29Å; K109-E111 PolarHBondContact O-N 2.64Å; E111-R113 PolarHBondContact O-N 3.14Å
112	W	86.3	Confident	89.7	Confident	27 Å²	27	54.4 Å²	54.4	10%	0.102	26%	0.263	C	S	.	.			trans	-69.1	119.9	-180	-172.1	92.1	0	0	0	111.7	T108 K109 I114 T156 F193 L197 I248 W422 M424	T108-W112 HydrophobicContact CG2-CB 4.39Å; T108-W112 HydrophobicContact CG2-CD2 3.85Å; T108-W112 HydrophobicContact CG2-CE3 4.16Å; T108-W112 HydrophobicContact CG2-CG 3.97Å; K109-W112 HydrophobicContact CB-CB 4.43Å; K109-W112 WeakPolarHBondContact O-CB 3.32Å; K109-W112 PolarHBondContact O-N 2.63Å; W112-I114 HydrophobicContact CH2-CD1 3.56Å; W112-I114 HydrophobicContact CH2-CG1 3.53Å; W112-I114 HydrophobicContact CZ2-CD1 4.4Å; W112-I114 HydrophobicContact CZ2-CG1 4.04Å; W112-I114 HydrophobicContact CZ3-CD1 4.01Å; W112-I114 HydrophobicContact CZ3-CG1 3.87Å; W112-T156 HydrophobicContact CZ2-CG2 4.35Å; W112-F193 HydrophobicContact CH2-CE2 4.48Å; W112-F193 AromaticContact CZ3-CE2 3.71Å; W112-F193 HydrophobicContact CZ3-CE2 3.71Å; W112-F193 AromaticContact CZ3-CZ 3.77Å; W112-F193 HydrophobicContact CZ3-CZ 3.77Å; W112-L197 HydrophobicContact CH2-CD2 3.94Å; W112-I248 HydrophobicContact CE3-CD1 4.4Å; W112-I248 HydrophobicContact CH2-CD1 4.4Å; W112-I248 HydrophobicContact CZ3-CD1 3.88Å; W112-W422 HydrophobicContact CZ2-CE3 4.33Å; W112-W422 PolarHBondContact NE1-O 2.73Å; W112-M424 HydrophobicContact CH2-CE 4.13Å; W112-M424 HydrophobicContact CH2-SD 4.5Å; W112-M424 HydrophobicContact CZ2-CE 4.08Å; W112-M424 HydrophobicContact CZ2-CG 4.23Å; W112-M424 HydrophobicContact CZ2-SD 4.01Å
113	R	86.8	Confident	89.4	Confident	132 Å²	132	57.6 Å²	57.6	50%	0.498	28%	0.283	S	S	.	.			trans	-134.5	145.1	178.2	-59.3	-68.8	-76.8	-89.1	-2.1	109.3	E111 F185	E111-R113 PolarHBondContact O-N 3.14Å; R113-F185 HydrophobicContact CB-CD1 4.06Å
114	I	89.7	Confident	89.1	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	126.1	170.1	-57.3	170.9	0	0	0	107.7	W112 F154 I186 F193 V196 W422	W112-I114 HydrophobicContact CH2-CD1 3.56Å; W112-I114 HydrophobicContact CH2-CG1 3.53Å; W112-I114 HydrophobicContact CZ2-CD1 4.4Å; W112-I114 HydrophobicContact CZ2-CG1 4.04Å; W112-I114 HydrophobicContact CZ3-CD1 4.01Å; W112-I114 HydrophobicContact CZ3-CG1 3.87Å; I114-F154 HydrophobicContact CG2-CB 4.2Å; I114-I186 HydrophobicContact CB-CB 4.34Å; I114-I186 HydrophobicContact CB-CD1 4.32Å; I114-I186 HydrophobicContact CB-CG1 4.4Å; I114-I186 HydrophobicContact CG2-CD1 3.73Å; I114-I186 HydrophobicContact CG2-CG1 4.19Å; I114-I186 PolarHBondContact O-N 3.42Å; I114-F193 HydrophobicContact CD1-CD2 3.73Å; I114-F193 HydrophobicContact CD1-CE2 3.84Å; I114-F193 HydrophobicContact CG1-CD2 4.49Å; I114-F193 HydrophobicContact CG1-CE2 4.36Å; I114-V196 HydrophobicContact CD1-CB 4.05Å; I114-V196 HydrophobicContact CD1-CG1 3.56Å; I114-V196 HydrophobicContact CG1-CG1 4.49Å; I114-V196 HydrophobicContact CG2-CG1 4.24Å; I114-W422 HydrophobicContact CG1-CZ3 4.5Å; I114-W422 HydrophobicContact CG2-CZ3 4.45Å
115	V	90.8	Very high	88.8	Confident	3 Å²	3	64.2 Å²	64.2	2%	0.018	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	136.4	176.8	-162	0	0	0	0	109.2	Y117 F154 T155 K158 F182 F185	V115-Y117 HydrophobicContact CB-CD2 4.48Å; V115-Y117 HydrophobicContact CB-CE2 3.74Å; V115-Y117 HydrophobicContact CG1-CD2 4.17Å; V115-Y117 HydrophobicContact CG1-CE1 4.48Å; V115-Y117 HydrophobicContact CG1-CE2 3.38Å; V115-Y117 WeakPolarHBondContact CG1-OH 3.22Å; V115-F154 WeakPolarHBondContact O-CA 3.31Å; V115-T155 PolarHBondContact N-O 3.5Å; V115-T155 PolarHBondContact O-N 3.49Å; V115-K158 HydrophobicContact CG2-CB 4.41Å; V115-F182 HydrophobicContact CG1-CD2 3.85Å; V115-F182 HydrophobicContact CG1-CE2 3.53Å; V115-F185 HydrophobicContact CG2-CD1 4.06Å; V115-F185 HydrophobicContact CG2-CE1 3.98Å
116	H	92.1	Very high	88.3	Confident	14 Å²	14	68 Å²	68	7%	0.065	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	129.8	179.8	178.4	-152.7	0	0	0	110.2	Q152 F154 V183 G184 I186	H116-Q152 PolarHBondContact NE2-OE1 3.05Å; H116-F154 HydrophobicContact CB-CD1 4.04Å; H116-F154 HydrophobicContact CB-CE1 4Å; H116-F154 AromaticContact CD2-CD1 3.81Å; H116-F154 AromaticContact CD2-CE1 3.31Å; H116-F154 WeakPolarHBondContact CD2-CE1 3.44Å; H116-F154 AromaticContact CG-CE1 3.57Å; H116-F154 AromaticContact NE2-CE1 3.94Å; H116-V183 WeakPolarHBondContact O-CB 3.05Å; H116-V183 PolarHBondContact O-N 2.69Å; H116-G184 PolarHBondContact N-O 3.15Å; H116-G184 PolarHBondContact O-N 3.42Å; H116-I186 HydrophobicContact CB-CD1 4.46Å; H116-I186 HydrophobicContact CB-CG1 4.1Å
117	Y	92	Very high	87.9	Confident	1 Å²	1	71.9 Å²	71.9	0%	0.004	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	152.1	177.2	-63.6	-87.3	0	0	0	111.4	V115 L153 T155 R157 K158 F159 I180 K181 F182	V115-Y117 HydrophobicContact CB-CD2 4.48Å; V115-Y117 HydrophobicContact CB-CE2 3.74Å; V115-Y117 HydrophobicContact CG1-CD2 4.17Å; V115-Y117 HydrophobicContact CG1-CE1 4.48Å; V115-Y117 HydrophobicContact CG1-CE2 3.38Å; V115-Y117 WeakPolarHBondContact CG1-OH 3.22Å; Y117-L153 HydrophobicContact CD2-CD2 4.3Å; Y117-L153 HydrophobicContact CD2-CG 4.43Å; Y117-L153 HydrophobicContact CG-CD2 4.38Å; Y117-L153 PolarHBondContact N-O 2.78Å; Y117-L153 PolarHBondContact O-N 2.85Å; Y117-T155 HydrophobicContact CD2-CG2 4Å; Y117-T155 HydrophobicContact CE2-CG2 3.69Å; Y117-R157 PolarHBondContact OH-O 2.88Å; Y117-K158 WeakPolarHBondContact OH-CA 3.47Å; Y117-F159 HydrophobicContact CD1-CD2 4.15Å; Y117-F159 HydrophobicContact CD2-CE2 4.43Å; Y117-F159 AromaticContact CE1-CD2 3.5Å; Y117-F159 HydrophobicContact CE1-CD2 3.5Å; Y117-F159 VanDerWaalsContact CE1-CD2 3.5Å; Y117-F159 HydrophobicContact CE1-CE2 4.17Å; Y117-F159 HydrophobicContact CE1-CG 4.46Å; Y117-F159 HydrophobicContact CE2-CD2 4.01Å; Y117-F159 HydrophobicContact CE2-CE2 4.03Å; Y117-F159 AromaticContact CZ-CD2 3.41Å; Y117-F159 VanDerWaalsContact CZ-CD2 3.41Å; Y117-F159 AromaticContact CZ-CE2 3.91Å; Y117-F159 PolarHBondContact OH-N 2.96Å; Y117-I180 HydrophobicContact CD1-CG2 3.72Å; Y117-I180 HydrophobicContact CG-CG2 3.87Å; Y117-K181 CarbonylContact C-O 3.56Å; Y117-K181 VanDerWaalsContact CA-O 3.23Å; Y117-K181 WeakPolarHBondContact CA-O 3.45Å; Y117-F182 VanDerWaalsContact CD1-CA 3.49Å; Y117-F182 HydrophobicContact CD1-CB 4.12Å; Y117-F182 HydrophobicContact CD1-CD2 4.47Å; Y117-F182 HydrophobicContact CE1-CB 3.84Å; Y117-F182 AromaticContact CE1-CD2 3.75Å; Y117-F182 HydrophobicContact CE1-CD2 3.75Å; Y117-F182 HydrophobicContact CE1-CG 4.29Å
118	H	93.1	Very high	87.4	Confident	47 Å²	47	70.2 Å²	70.2	22%	0.218	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	142.4	165.8	-164.8	72.4	0	0	0	109.5	E120 L151 I180 K181 V183	H118-E120 IonicContact CD2-OE1 2.73Å; H118-E120 IonicContact NE2-OE1 2.78Å; H118-L151 VanDerWaalsContact CE1-CG 3.44Å; H118-L151 WeakPolarHBondContact CE1-CG 3.34Å; H118-I180 CarbonylContact O-C 3.58Å; H118-I180 WeakPolarHBondContact O-CA 3.5Å; H118-K181 PolarHBondContact N-O 3.46Å; H118-K181 PolarHBondContact O-N 2.85Å; H118-V183 HydrophobicContact CB-CG2 3.93Å
119	V	92.8	Very high	87.3	Confident	0 Å²	0	77.5 Å²	77.5	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	119.3	-175.9	-169.6	0	0	0	0	111.4	F121 L135 F148 L151 L153 I178 S179 I180	V119-F121 HydrophobicContact CB-CE2 4.35Å; V119-F121 HydrophobicContact CG1-CD2 4.48Å; V119-F121 HydrophobicContact CG1-CE2 3.65Å; V119-F121 HydrophobicContact CG1-CZ 3.7Å; V119-L135 HydrophobicContact CG1-CD1 4.29Å; V119-F148 HydrophobicContact CB-CE2 3.65Å; V119-F148 HydrophobicContact CB-CZ 4.01Å; V119-F148 HydrophobicContact CG1-CE2 4.21Å; V119-F148 HydrophobicContact CG1-CZ 4.14Å; V119-F148 HydrophobicContact CG2-CD2 4.21Å; V119-F148 HydrophobicContact CG2-CE2 3.66Å; V119-F148 HydrophobicContact CG2-CZ 4.4Å; V119-L151 PolarHBondContact N-O 3.25Å; V119-L153 HydrophobicContact CG2-CB 3.54Å; V119-L153 HydrophobicContact CG2-CD2 4.04Å; V119-L153 HydrophobicContact CG2-CG 4.43Å; V119-I178 HydrophobicContact CG1-CG2 3.38Å; V119-S179 WeakPolarHBondContact CA-O 3.36Å; V119-I180 HydrophobicContact CG1-CG1 4.25Å; V119-I180 HydrophobicContact CG2-CG1 4.4Å
120	E	92.5	Very high	87.5	Confident	110 Å²	110	74.9 Å²	74.9	51%	0.514	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	155.6	176.2	-66.2	173.9	-178.6	0	0	111	H118 I178 S179	H118-E120 IonicContact CD2-OE1 2.73Å; H118-E120 IonicContact NE2-OE1 2.78Å; E120-I178 CarbonylContact O-C 3.38Å; E120-I178 WeakPolarHBondContact O-CA 3.35Å; E120-S179 PolarHBondContact N-O 3.49Å; E120-S179 PolarHBondContact O-N 2.79Å
121	F	91.8	Very high	88	Confident	11 Å²	11	70.3 Å²	70.3	5%	0.048	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	131.6	-177.1	-60.5	-101	0	0	0	109.7	V119 P123 I125 R131 V134 L135 F148 K177 I178	V119-F121 HydrophobicContact CB-CE2 4.35Å; V119-F121 HydrophobicContact CG1-CD2 4.48Å; V119-F121 HydrophobicContact CG1-CE2 3.65Å; V119-F121 HydrophobicContact CG1-CZ 3.7Å; F121-P123 CarbonylContact C-O 3.51Å; F121-P123 CarbonylContact O-C 3.59Å; F121-I125 HydrophobicContact CB-CD1 4.33Å; F121-I125 HydrophobicContact CB-CG1 4.47Å; F121-I125 HydrophobicContact CD1-CD1 4.11Å; F121-I125 HydrophobicContact CG-CD1 4.37Å; F121-R131 HydrophobicContact CD2-CB 4.28Å; F121-R131 HydrophobicContact CD2-CG 3.87Å; F121-R131 HydrophobicContact CE1-CB 4.23Å; F121-R131 HydrophobicContact CE2-CB 3.74Å; F121-R131 HydrophobicContact CE2-CG 3.83Å; F121-R131 HydrophobicContact CG-CG 4.32Å; F121-R131 HydrophobicContact CZ-CB 3.71Å; F121-R131 HydrophobicContact CZ-CG 4.21Å; F121-V134 HydrophobicContact CD1-CG1 4.13Å; F121-V134 HydrophobicContact CE1-CB 4.32Å; F121-V134 HydrophobicContact CE1-CG1 3.98Å; F121-L135 HydrophobicContact CZ-CB 4.35Å; F121-F148 HydrophobicContact CE2-CE1 4.4Å; F121-F148 AromaticContact CE2-CZ 3.8Å; F121-F148 HydrophobicContact CE2-CZ 3.8Å; F121-F148 AromaticContact CZ-CE1 3.96Å; F121-F148 HydrophobicContact CZ-CE1 3.96Å; F121-F148 AromaticContact CZ-CZ 3.74Å; F121-F148 HydrophobicContact CZ-CZ 3.74Å; F121-K177 WeakPolarHBondContact CA-O 3.23Å; F121-I178 HydrophobicContact CD1-CD1 4.5Å; F121-I178 HydrophobicContact CD1-CG1 4.04Å; F121-I178 HydrophobicContact CD1-CG2 4.29Å; F121-I178 HydrophobicContact CE1-CD1 4.04Å; F121-I178 HydrophobicContact CE1-CG1 4.04Å; F121-I178 HydrophobicContact CE1-CG2 4.01Å; F121-I178 HydrophobicContact CZ-CG2 4.26Å
122	V	90.5	Very high	88.4	Confident	98 Å²	98	65.6 Å²	65.6	59%	0.594	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.6	121.7	170.9	179.2	0	0	0	0	107.2	Y176 K177	V122-Y176 CarbonylContact O-C 3.55Å; V122-Y176 VanDerWaalsContact O-CA 3.23Å; V122-Y176 WeakPolarHBondContact O-CA 3.4Å; V122-K177 HydrophobicContact CB-CB 4.49Å; V122-K177 PolarHBondContact N-O 2.76Å; V122-K177 PolarHBondContact O-N 3.27Å
123	P	88.6	Confident	88.5	Confident	66 Å²	66	65.8 Å²	65.8	43%	0.429	33%	0.333	S	S	.	.	S	Bend	cis	-66.4	158.9	-3.5	29.9	-36.2	0	0	0	112.9	F121 I125 I174 E175	F121-P123 CarbonylContact C-O 3.51Å; F121-P123 CarbonylContact O-C 3.59Å; P123-I125 PolarHBondContact O-N 3.29Å; P123-I125 VanDerWaalsContact O-N 3.15Å; P123-I174 HydrophobicContact CG-CG2 4.2Å; P123-E175 WeakPolarHBondContact CD-O 3.5Å
124	T	88.3	Confident	88.6	Confident	119 Å²	119	60.2 Å²	60.2	73%	0.73	31%	0.314	S	S	*	.			trans	-64.6	112.9	-178.5	-53.4	0	0	0	0	111.4
125	I	86.4	Confident	88.5	Confident	29 Å²	29	60.2 Å²	60.2	15%	0.149	31%	0.314	C	S	.	.			trans	-91.3	117.8	175.7	-58.5	171.4	0	0	0	108.8	F121 P123 V130 R131 V134	F121-I125 HydrophobicContact CB-CD1 4.33Å; F121-I125 HydrophobicContact CB-CG1 4.47Å; F121-I125 HydrophobicContact CD1-CD1 4.11Å; F121-I125 HydrophobicContact CG-CD1 4.37Å; P123-I125 PolarHBondContact O-N 3.29Å; P123-I125 VanDerWaalsContact O-N 3.15Å; I125-V130 HydrophobicContact CD1-CG1 4.37Å; I125-V130 HydrophobicContact CG2-CB 3.71Å; I125-V130 HydrophobicContact CG2-CG1 3.77Å; I125-R131 HydrophobicContact CB-CG 3.85Å; I125-R131 HydrophobicContact CG2-CG 3.85Å; I125-R131 VanDerWaalsContact O-CZ 3.24Å; I125-R131 PolarHBondContact O-NE 2.88Å; I125-R131 PolarHBondContact O-NH2 3.35Å; I125-V134 HydrophobicContact CD1-CG2 4.07Å
126	E	83.9	Confident	88.4	Confident	175 Å²	175	62.6 Å²	62.6	82%	0.818	33%	0.331	S	S	*	.			trans	-72.5	-34.6	178	-66.8	-162.2	153	0	0	113.8	P128	E126-P128 VanDerWaalsContact O-CD 3.29Å; E126-P128 WeakPolarHBondContact O-CD 3.37Å
127	N	83.3	Confident	88.2	Confident	84 Å²	84	66.9 Å²	66.9	45%	0.449	35%	0.354	S	S	.	.			trans	-84.4	114.5	-172.1	-171.3	-30.4	0	0	0	111.6	R129 V130 R131	N127-R129 PolarHBondContact O-N 2.89Å; N127-R129 VanDerWaalsContact O-N 3.17Å; N127-R129 WeakPolarHBondContact OD1-CB 3.37Å; N127-R129 PolarHBondContact OD1-N 3.12Å; N127-V130 HydrophobicContact CB-CB 4.29Å; N127-V130 HydrophobicContact CB-CG2 3.89Å; N127-V130 PolarHBondContact O-N 3.39Å; N127-R131 PolarHBondContact O-N 2.94Å
128	P	81.3	Confident	87.9	Confident	55 Å²	55	68.6 Å²	68.6	36%	0.357	36%	0.362	S	S	.	.	H	α-helix	trans	-61.3	-29.5	-177.1	-24.6	35.9	0	0	0	113.7	E126 V130 R131 M132	E126-P128 VanDerWaalsContact O-CD 3.29Å; E126-P128 WeakPolarHBondContact O-CD 3.37Å; P128-V130 VanDerWaalsContact C-N 3.3Å; P128-V130 PolarHBondContact O-N 2.93Å; P128-R131 WeakPolarHBondContact O-CB 3.5Å; P128-R131 PolarHBondContact O-N 2.82Å; P128-M132 VanDerWaalsContact O-CG 3.25Å; P128-M132 WeakPolarHBondContact O-CG 3.25Å; P128-M132 PolarHBondContact O-N 3.18Å
129	R	84.4	Confident	87.3	Confident	208 Å²	208	67.9 Å²	67.9	79%	0.785	36%	0.364	S	S	*	.	H	α-helix	trans	-67	-33.9	177	-63.6	-176.6	-177.2	154.9	3.9	112.1	N127 G133	N127-R129 PolarHBondContact O-N 2.89Å; N127-R129 VanDerWaalsContact O-N 3.17Å; N127-R129 WeakPolarHBondContact OD1-CB 3.37Å; N127-R129 PolarHBondContact OD1-N 3.12Å; R129-G133 PolarHBondContact O-N 3.02Å
130	V	86.5	Confident	86.6	Confident	71 Å²	71	75.3 Å²	75.3	43%	0.43	40%	0.404	S	S	.	.	H	α-helix	trans	-71.3	-44.1	176	-179	0	0	0	0	109.3	I125 N127 P128 M132 G133 V134	I125-V130 HydrophobicContact CD1-CG1 4.37Å; I125-V130 HydrophobicContact CG2-CB 3.71Å; I125-V130 HydrophobicContact CG2-CG1 3.77Å; N127-V130 HydrophobicContact CB-CB 4.29Å; N127-V130 HydrophobicContact CB-CG2 3.89Å; N127-V130 PolarHBondContact O-N 3.39Å; P128-V130 VanDerWaalsContact C-N 3.3Å; P128-V130 PolarHBondContact O-N 2.93Å; V130-M132 VanDerWaalsContact C-N 3.32Å; V130-M132 PolarHBondContact O-N 3.09Å; V130-G133 PolarHBondContact O-N 3.09Å; V130-G133 VanDerWaalsContact O-N 3.15Å; V130-V134 HydrophobicContact CG1-CG2 4.32Å; V130-V134 WeakPolarHBondContact O-CB 3.47Å; V130-V134 WeakPolarHBondContact O-CG2 3.48Å; V130-V134 PolarHBondContact O-N 3.42Å
131	R	88.7	Confident	86.1	Confident	47 Å²	47	73 Å²	73	18%	0.177	40%	0.395	C	S	.	.	H	α-helix	trans	-53.5	-47	170.7	-64.4	-176.7	-173.3	-164.2	-4.4	112.3	F121 I125 N127 P128 G133 V134 L135 F148 G150	F121-R131 HydrophobicContact CD2-CB 4.28Å; F121-R131 HydrophobicContact CD2-CG 3.87Å; F121-R131 HydrophobicContact CE1-CB 4.23Å; F121-R131 HydrophobicContact CE2-CB 3.74Å; F121-R131 HydrophobicContact CE2-CG 3.83Å; F121-R131 HydrophobicContact CG-CG 4.32Å; F121-R131 HydrophobicContact CZ-CB 3.71Å; F121-R131 HydrophobicContact CZ-CG 4.21Å; I125-R131 HydrophobicContact CB-CG 3.85Å; I125-R131 HydrophobicContact CG2-CG 3.85Å; I125-R131 VanDerWaalsContact O-CZ 3.24Å; I125-R131 PolarHBondContact O-NE 2.88Å; I125-R131 PolarHBondContact O-NH2 3.35Å; N127-R131 PolarHBondContact O-N 2.94Å; P128-R131 WeakPolarHBondContact O-CB 3.5Å; P128-R131 PolarHBondContact O-N 2.82Å; R131-G133 PolarHBondContact O-N 2.79Å; R131-V134 PolarHBondContact O-N 2.99Å; R131-L135 WeakPolarHBondContact O-CB 3.41Å; R131-L135 PolarHBondContact O-N 2.96Å; R131-F148 HydrophobicContact CB-CE1 4.2Å; R131-G150 WeakPolarHBondContact CD-O 3.35Å; R131-G150 PolarHBondContact NH1-O 3.35Å
132	M	87.3	Confident	85.4	Confident	81 Å²	81	72.4 Å²	72.4	40%	0.399	39%	0.392	S	S	.	.	H	α-helix	trans	-62.3	-41.3	177.9	-69.8	171.9	72.3	0	0	112.5	P128 V130 S136 F148	P128-M132 VanDerWaalsContact O-CG 3.25Å; P128-M132 WeakPolarHBondContact O-CG 3.25Å; P128-M132 PolarHBondContact O-N 3.18Å; V130-M132 VanDerWaalsContact C-N 3.32Å; V130-M132 PolarHBondContact O-N 3.09Å; M132-S136 WeakPolarHBondContact O-CB 3.43Å; M132-S136 PolarHBondContact O-N 3.46Å; M132-S136 PolarHBondContact O-OG 2.93Å; M132-F148 HydrophobicContact CB-CD1 4.26Å; M132-F148 WeakPolarHBondContact CE-O 3.49Å; M132-F148 HydrophobicContact CG-CD1 3.72Å; M132-F148 HydrophobicContact CG-CE1 4.11Å
133	G	87.2	Confident	84.6	Confident	31 Å²	31	68.8 Å²	68.8	32%	0.32	38%	0.375	S	S	.	.	H	α-helix	trans	-64.3	-47.5	174.8	0	0	0	0	0	112.5	R129 V130 R131 L135 S136 N137	R129-G133 PolarHBondContact O-N 3.02Å; V130-G133 PolarHBondContact O-N 3.09Å; V130-G133 VanDerWaalsContact O-N 3.15Å; R131-G133 PolarHBondContact O-N 2.79Å; G133-L135 PolarHBondContact O-N 3.34Å; G133-S136 WeakPolarHBondContact CA-OG 3.43Å; G133-S136 PolarHBondContact O-N 3.36Å; G133-S136 VanDerWaalsContact O-N 3.13Å; G133-S136 PolarHBondContact O-OG 3.08Å; G133-N137 PolarHBondContact O-N 2.88Å
134	V	89.1	Confident	83.8	Confident	14 Å²	14	69.2 Å²	69.2	9%	0.085	38%	0.379	C	S	.	.	H	α-helix	trans	-58.8	-48.1	176.9	169.3	0	0	0	0	111.1	F121 I125 V130 R131 S136 N137 Y176 I178	F121-V134 HydrophobicContact CD1-CG1 4.13Å; F121-V134 HydrophobicContact CE1-CB 4.32Å; F121-V134 HydrophobicContact CE1-CG1 3.98Å; I125-V134 HydrophobicContact CD1-CG2 4.07Å; V130-V134 HydrophobicContact CG1-CG2 4.32Å; V130-V134 WeakPolarHBondContact O-CB 3.47Å; V130-V134 WeakPolarHBondContact O-CG2 3.48Å; V130-V134 PolarHBondContact O-N 3.42Å; R131-V134 PolarHBondContact O-N 2.99Å; V134-S136 VanDerWaalsContact C-N 3.29Å; V134-S136 PolarHBondContact O-N 3.29Å; V134-N137 WeakPolarHBondContact O-CB 3.47Å; V134-N137 PolarHBondContact O-N 3.23Å; V134-Y176 HydrophobicContact CG1-CD1 4.08Å; V134-Y176 HydrophobicContact CG1-CD2 3.6Å; V134-Y176 HydrophobicContact CG1-CE1 3.96Å; V134-Y176 HydrophobicContact CG1-CE2 3.5Å; V134-Y176 VanDerWaalsContact CG1-CE2 3.5Å; V134-Y176 HydrophobicContact CG1-CG 3.92Å; V134-I178 HydrophobicContact CG1-CD1 3.99Å; V134-I178 HydrophobicContact CG1-CG1 4.43Å
135	L	88.9	Confident	83.5	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-64.4	-33.2	176.4	-169	70	0	0	0	112.2	V119 F121 R131 G133 N137 H138 L142 Y146 F148 L153 I178 I180	V119-L135 HydrophobicContact CG1-CD1 4.29Å; F121-L135 HydrophobicContact CZ-CB 4.35Å; R131-L135 WeakPolarHBondContact O-CB 3.41Å; R131-L135 PolarHBondContact O-N 2.96Å; G133-L135 PolarHBondContact O-N 3.34Å; L135-N137 PolarHBondContact O-N 3.23Å; L135-H138 PolarHBondContact O-N 3Å; L135-L142 HydrophobicContact CD1-CD1 4.3Å; L135-L142 HydrophobicContact CD1-CD2 4.41Å; L135-L142 HydrophobicContact CD2-CD1 4.2Å; L135-L142 HydrophobicContact CG-CD1 3.83Å; L135-Y146 HydrophobicContact CD2-CE2 4.44Å; L135-F148 HydrophobicContact CB-CD1 4.13Å; L135-F148 HydrophobicContact CB-CE1 4Å; L135-F148 HydrophobicContact CD2-CB 4.02Å; L135-F148 HydrophobicContact CD2-CD1 3.35Å; L135-F148 HydrophobicContact CD2-CD2 3.74Å; L135-F148 HydrophobicContact CD2-CE1 3.61Å; L135-F148 HydrophobicContact CD2-CE2 4.01Å; L135-F148 HydrophobicContact CD2-CG 3.42Å; L135-F148 VanDerWaalsContact CD2-CG 3.42Å; L135-F148 HydrophobicContact CD2-CZ 3.94Å; L135-F148 HydrophobicContact CG-CD1 4.35Å; L135-F148 HydrophobicContact CG-CE1 4.42Å; L135-L153 HydrophobicContact CD2-CD1 4.36Å; L135-I178 HydrophobicContact CD1-CD1 3.91Å; L135-I178 HydrophobicContact CD1-CG2 4.03Å; L135-I180 HydrophobicContact CD1-CD1 4.14Å
136	S	87.3	Confident	83.6	Confident	53 Å²	53	63.8 Å²	63.8	37%	0.371	34%	0.344	S	S	.	.	H	α-helix	trans	-66.7	-21	179.5	73.4	0	0	0	0	114.8	M132 G133 V134 H138 A139 Y146	M132-S136 WeakPolarHBondContact O-CB 3.43Å; M132-S136 PolarHBondContact O-N 3.46Å; M132-S136 PolarHBondContact O-OG 2.93Å; G133-S136 WeakPolarHBondContact CA-OG 3.43Å; G133-S136 PolarHBondContact O-N 3.36Å; G133-S136 VanDerWaalsContact O-N 3.13Å; G133-S136 PolarHBondContact O-OG 3.08Å; V134-S136 VanDerWaalsContact C-N 3.29Å; V134-S136 PolarHBondContact O-N 3.29Å; S136-H138 PolarHBondContact O-N 3.38Å; S136-A139 WeakPolarHBondContact O-CB 3.24Å; S136-A139 PolarHBondContact O-N 3.28Å; S136-Y146 WeakPolarHBondContact CA-OH 3.31Å; S136-Y146 WeakPolarHBondContact CB-OH 3.45Å
137	N	87.3	Confident	83.8	Confident	105 Å²	105	56.7 Å²	56.7	56%	0.561	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-23.1	170.3	-62.3	-24	0	0	0	112.1	G133 V134 L135	G133-N137 PolarHBondContact O-N 2.88Å; V134-N137 WeakPolarHBondContact O-CB 3.47Å; V134-N137 PolarHBondContact O-N 3.23Å; L135-N137 PolarHBondContact O-N 3.23Å
138	H	86.8	Confident	84	Confident	36 Å²	36	53.6 Å²	53.6	17%	0.167	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	16.3	-178.7	-60.9	-88.1	0	0	0	113.1	L135 S136 N140 L141 L142 L166 Y176	L135-H138 PolarHBondContact O-N 3Å; S136-H138 PolarHBondContact O-N 3.38Å; H138-N140 PolarHBondContact O-N 2.98Å; H138-L141 PolarHBondContact O-N 3.13Å; H138-L142 PolarHBondContact O-N 3.38Å; H138-L166 HydrophobicContact CB-CD1 3.81Å; H138-Y176 AromaticContact NE2-CE2 3.55Å; H138-Y176 AromaticContact NE2-CZ 3.74Å; H138-Y176 PolarHBondContact NE2-OH 3.32Å
139	A	79.6	Confident	83.9	Confident	32 Å²	32	54.2 Å²	54.2	26%	0.264	30%	0.295	S	S	.	.	H	α-helix	trans	-52.4	-33.9	-176.3	0	0	0	0	0	114	S136 L141 L142 G143 Y146	S136-A139 WeakPolarHBondContact O-CB 3.24Å; S136-A139 PolarHBondContact O-N 3.28Å; A139-L141 PolarHBondContact O-N 2.86Å; A139-L142 PolarHBondContact O-N 2.88Å; A139-G143 PolarHBondContact O-N 2.9Å; A139-Y146 HydrophobicContact CB-CE1 4.17Å
140	N	79.8	Confident	83.8	Confident	156 Å²	156	44.5 Å²	44.5	83%	0.834	26%	0.259	S	S	*	.	H	α-helix	trans	-57.6	-34.9	177.5	-61.6	-6.2	0	0	0	112.7	H138	H138-N140 PolarHBondContact O-N 2.98Å
141	L	80.3	Confident	83.7	Confident	61 Å²	61	44.2 Å²	44.2	32%	0.319	26%	0.255	S	S	.	.	H	α-helix	trans	-81.4	-41.2	178.4	-170.6	72.1	0	0	0	111.9	H138 A139 G143 R157 F159 T164 L166	H138-L141 PolarHBondContact O-N 3.13Å; A139-L141 PolarHBondContact O-N 2.86Å; L141-G143 PolarHBondContact O-N 3.49Å; L141-G143 VanDerWaalsContact O-N 3.13Å; L141-R157 VanDerWaalsContact O-CD 3.31Å; L141-R157 WeakPolarHBondContact O-CD 3.48Å; L141-R157 PolarHBondContact O-NH1 3.41Å; L141-F159 HydrophobicContact CG-CE1 4.09Å; L141-T164 HydrophobicContact CD2-CG2 4.22Å; L141-L166 HydrophobicContact CD2-CD1 4.08Å; L141-L166 HydrophobicContact CD2-CD2 3.3Å; L141-L166 HydrophobicContact CD2-CG 4.29Å
142	L	78.2	Confident	83.8	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-62.4	-20.5	-179.1	-57.3	172	0	0	0	113.4	L135 H138 A139 Y146 L153 T155 F159 I180	L135-L142 HydrophobicContact CD1-CD1 4.3Å; L135-L142 HydrophobicContact CD1-CD2 4.41Å; L135-L142 HydrophobicContact CD2-CD1 4.2Å; L135-L142 HydrophobicContact CG-CD1 3.83Å; H138-L142 PolarHBondContact O-N 3.38Å; A139-L142 PolarHBondContact O-N 2.88Å; L142-Y146 HydrophobicContact CB-CD1 3.91Å; L142-Y146 HydrophobicContact CB-CE1 4.41Å; L142-Y146 HydrophobicContact CB-CG 4.2Å; L142-Y146 HydrophobicContact CD1-CD1 3.96Å; L142-Y146 HydrophobicContact CD1-CD2 4.08Å; L142-Y146 HydrophobicContact CD1-CE1 3.77Å; L142-Y146 HydrophobicContact CD1-CE2 3.88Å; L142-Y146 HydrophobicContact CD1-CG 4.12Å; L142-L153 HydrophobicContact CD2-CD2 3.86Å; L142-T155 PolarHBondContact O-OG1 2.67Å; L142-F159 HydrophobicContact CD2-CZ 4.15Å; L142-I180 HydrophobicContact CD2-CD1 3.97Å
143	G	74	Confident	83.9	Confident	22 Å²	22	40.4 Å²	40.4	23%	0.227	24%	0.238	C	C	.	.			trans	90	166.6	-170.2	0	0	0	0	0	111.6	A139 L141 G145	A139-G143 PolarHBondContact O-N 2.9Å; L141-G143 PolarHBondContact O-N 3.49Å; L141-G143 VanDerWaalsContact O-N 3.13Å; G143-G145 VanDerWaalsContact C-N 3.32Å; G143-G145 PolarHBondContact O-N 2.79Å
144	S	71.8	Confident	84.1	Confident	74 Å²	74	40.5 Å²	40.5	52%	0.517	23%	0.23	S	C	.	.	S	Bend	trans	-57.8	-41.5	-178	42.1	0	0	0	0	113.1	D421	S144-D421 WeakPolarHBondContact CB-OD1 3.5Å; S144-D421 PolarHBondContact OG-O 2.95Å; S144-D421 VanDerWaalsContact OG-O 3.09Å
145	G	80.6	Confident	84.2	Confident	2 Å²	2	39.9 Å²	39.9	2%	0.021	23%	0.226	C	C	.	.			trans	-108.2	104.5	-178.2	0	0	0	0	0	113.8	G143 T155 D421	G143-G145 VanDerWaalsContact C-N 3.32Å; G143-G145 PolarHBondContact O-N 2.79Å; G145-T155 PolarHBondContact O-OG1 2.76Å; G145-D421 VanDerWaalsContact CA-O 3.25Å; G145-D421 WeakPolarHBondContact CA-O 3.47Å; G145-D421 PolarHBondContact N-O 2.9Å
146	Y	89.6	Confident	84.1	Confident	33 Å²	33	41.6 Å²	41.6	13%	0.129	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	156.7	167.5	77.5	-84.8	0	0	0	112.9	L135 S136 A139 L142 F148 L153 F154 R203	L135-Y146 HydrophobicContact CD2-CE2 4.44Å; S136-Y146 WeakPolarHBondContact CA-OH 3.31Å; S136-Y146 WeakPolarHBondContact CB-OH 3.45Å; A139-Y146 HydrophobicContact CB-CE1 4.17Å; L142-Y146 HydrophobicContact CB-CD1 3.91Å; L142-Y146 HydrophobicContact CB-CE1 4.41Å; L142-Y146 HydrophobicContact CB-CG 4.2Å; L142-Y146 HydrophobicContact CD1-CD1 3.96Å; L142-Y146 HydrophobicContact CD1-CD2 4.08Å; L142-Y146 HydrophobicContact CD1-CE1 3.77Å; L142-Y146 HydrophobicContact CD1-CE2 3.88Å; L142-Y146 HydrophobicContact CD1-CG 4.12Å; Y146-F148 HydrophobicContact CD2-CB 4Å; Y146-F148 HydrophobicContact CE2-CB 3.93Å; Y146-L153 HydrophobicContact CD2-CD1 3.66Å; Y146-L153 HydrophobicContact CG-CD1 4.17Å; Y146-F154 CarbonylContact C-O 3.58Å; Y146-F154 VanDerWaalsContact CA-O 3.25Å; Y146-F154 WeakPolarHBondContact CA-O 3.27Å; Y146-F154 WeakPolarHBondContact CB-O 3.41Å; Y146-R203 PolarHBondContact O-NH1 3.36Å
147	L	88	Confident	84.1	Confident	25 Å²	25	44.5 Å²	44.5	13%	0.131	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	133.9	169.9	-73.6	172	0	0	0	108.1	L153 F154 V196 L199 I200 W422	L147-L153 WeakPolarHBondContact O-CA 3.46Å; L147-F154 HydrophobicContact CB-CB 4.39Å; L147-F154 HydrophobicContact CB-CD2 4.35Å; L147-F154 PolarHBondContact N-O 2.88Å; L147-F154 PolarHBondContact O-N 3.15Å; L147-V196 HydrophobicContact CD1-CG1 4.1Å; L147-L199 HydrophobicContact CD1-CB 3.48Å; L147-L199 VanDerWaalsContact CD1-CB 3.48Å; L147-L199 HydrophobicContact CD1-CD1 4.06Å; L147-L199 HydrophobicContact CD1-CG 4.43Å; L147-L199 HydrophobicContact CD2-CB 4.21Å; L147-I200 HydrophobicContact CD1-CG1 4.19Å; L147-W422 HydrophobicContact CB-CZ2 4.26Å; L147-W422 HydrophobicContact CD1-CH2 4.45Å; L147-W422 HydrophobicContact CD1-CZ2 4.17Å; L147-W422 HydrophobicContact CG-CH2 4.39Å; L147-W422 HydrophobicContact CG-CZ2 3.77Å
148	F	87.3	Confident	84.1	Confident	19 Å²	19	45.5 Å²	45.5	8%	0.083	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	133	180	-179.7	-122.6	0	0	0	109.8	V119 F121 R131 M132 L135 Y146 Q152 L153	V119-F148 HydrophobicContact CB-CE2 3.65Å; V119-F148 HydrophobicContact CB-CZ 4.01Å; V119-F148 HydrophobicContact CG1-CE2 4.21Å; V119-F148 HydrophobicContact CG1-CZ 4.14Å; V119-F148 HydrophobicContact CG2-CD2 4.21Å; V119-F148 HydrophobicContact CG2-CE2 3.66Å; V119-F148 HydrophobicContact CG2-CZ 4.4Å; F121-F148 HydrophobicContact CE2-CE1 4.4Å; F121-F148 AromaticContact CE2-CZ 3.8Å; F121-F148 HydrophobicContact CE2-CZ 3.8Å; F121-F148 AromaticContact CZ-CE1 3.96Å; F121-F148 HydrophobicContact CZ-CE1 3.96Å; F121-F148 AromaticContact CZ-CZ 3.74Å; F121-F148 HydrophobicContact CZ-CZ 3.74Å; R131-F148 HydrophobicContact CB-CE1 4.2Å; M132-F148 HydrophobicContact CB-CD1 4.26Å; M132-F148 WeakPolarHBondContact CE-O 3.49Å; M132-F148 HydrophobicContact CG-CD1 3.72Å; M132-F148 HydrophobicContact CG-CE1 4.11Å; L135-F148 HydrophobicContact CB-CD1 4.13Å; L135-F148 HydrophobicContact CB-CE1 4Å; L135-F148 HydrophobicContact CD2-CB 4.02Å; L135-F148 HydrophobicContact CD2-CD1 3.35Å; L135-F148 HydrophobicContact CD2-CD2 3.74Å; L135-F148 HydrophobicContact CD2-CE1 3.61Å; L135-F148 HydrophobicContact CD2-CE2 4.01Å; L135-F148 HydrophobicContact CD2-CG 3.42Å; L135-F148 VanDerWaalsContact CD2-CG 3.42Å; L135-F148 HydrophobicContact CD2-CZ 3.94Å; L135-F148 HydrophobicContact CG-CD1 4.35Å; L135-F148 HydrophobicContact CG-CE1 4.42Å; Y146-F148 HydrophobicContact CD2-CB 4Å; Y146-F148 HydrophobicContact CE2-CB 3.93Å; F148-Q152 WeakPolarHBondContact CA-O 3.31Å; F148-Q152 VanDerWaalsContact CD2-O 3.27Å; F148-Q152 WeakPolarHBondContact CD2-O 3.25Å; F148-L153 HydrophobicContact CB-CD1 4.27Å; F148-L153 HydrophobicContact CD2-CB 3.92Å
149	D	79.5	Confident	84.2	Confident	69 Å²	69	44.5 Å²	44.5	37%	0.369	23%	0.234	S	C	.	.			trans	-105.8	-1.1	-177.5	70	-0.2	0	0	0	114.2	L151 Q152	D149-L151 PolarHBondContact OD1-N 2.85Å; D149-Q152 PolarHBondContact N-O 3.1Å; D149-Q152 PolarHBondContact OD1-N 3.16Å
150	G	81.4	Confident	84.4	Confident	3 Å²	3	52.5 Å²	52.5	3%	0.031	27%	0.266	C	S	.	.	S	Bend	trans	105.8	-5	-171.3	0	0	0	0	0	114.1	R131	R131-G150 WeakPolarHBondContact CD-O 3.35Å; R131-G150 PolarHBondContact NH1-O 3.35Å
151	L	85.9	Confident	84.7	Confident	66 Å²	66	50.9 Å²	50.9	35%	0.346	25%	0.253	S	S	.	.	S	Bend	trans	-146	-46.8	177.1	-169	78.3	0	0	0	112.5	H118 V119 D149	H118-L151 VanDerWaalsContact CE1-CG 3.44Å; H118-L151 WeakPolarHBondContact CE1-CG 3.34Å; V119-L151 PolarHBondContact N-O 3.25Å; D149-L151 PolarHBondContact OD1-N 2.85Å
152	Q	89.4	Confident	84.8	Confident	48 Å²	48	54 Å²	54	22%	0.224	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	128.9	-177.5	-51.5	-63.4	-11	0	0	110	H116 F148 D149 F154	H116-Q152 PolarHBondContact NE2-OE1 3.05Å; F148-Q152 WeakPolarHBondContact CA-O 3.31Å; F148-Q152 VanDerWaalsContact CD2-O 3.27Å; F148-Q152 WeakPolarHBondContact CD2-O 3.25Å; D149-Q152 PolarHBondContact N-O 3.1Å; D149-Q152 PolarHBondContact OD1-N 3.16Å; Q152-F154 HydrophobicContact CB-CE2 4.27Å; Q152-F154 HydrophobicContact CB-CZ 4.18Å
153	L	90.4	Very high	85.3	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	131	179.7	166.9	69.4	0	0	0	110.1	Y117 V119 L135 L142 Y146 L147 F148 I180	Y117-L153 HydrophobicContact CD2-CD2 4.3Å; Y117-L153 HydrophobicContact CD2-CG 4.43Å; Y117-L153 HydrophobicContact CG-CD2 4.38Å; Y117-L153 PolarHBondContact N-O 2.78Å; Y117-L153 PolarHBondContact O-N 2.85Å; V119-L153 HydrophobicContact CG2-CB 3.54Å; V119-L153 HydrophobicContact CG2-CD2 4.04Å; V119-L153 HydrophobicContact CG2-CG 4.43Å; L135-L153 HydrophobicContact CD2-CD1 4.36Å; L142-L153 HydrophobicContact CD2-CD2 3.86Å; Y146-L153 HydrophobicContact CD2-CD1 3.66Å; Y146-L153 HydrophobicContact CG-CD1 4.17Å; L147-L153 WeakPolarHBondContact O-CA 3.46Å; F148-L153 HydrophobicContact CB-CD1 4.27Å; F148-L153 HydrophobicContact CD2-CB 3.92Å; L153-I180 HydrophobicContact CD2-CD1 4.43Å; L153-I180 HydrophobicContact CD2-CG2 3.91Å
154	F	91.2	Very high	86	Confident	32 Å²	32	57.4 Å²	57.4	14%	0.14	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	129.7	173.4	-51.8	-71	0	0	0	109.8	I114 V115 H116 Y146 L147 Q152 I186 V196 W422	I114-F154 HydrophobicContact CG2-CB 4.2Å; V115-F154 WeakPolarHBondContact O-CA 3.31Å; H116-F154 HydrophobicContact CB-CD1 4.04Å; H116-F154 HydrophobicContact CB-CE1 4Å; H116-F154 AromaticContact CD2-CD1 3.81Å; H116-F154 AromaticContact CD2-CE1 3.31Å; H116-F154 WeakPolarHBondContact CD2-CE1 3.44Å; H116-F154 AromaticContact CG-CE1 3.57Å; H116-F154 AromaticContact NE2-CE1 3.94Å; Y146-F154 CarbonylContact C-O 3.58Å; Y146-F154 VanDerWaalsContact CA-O 3.25Å; Y146-F154 WeakPolarHBondContact CA-O 3.27Å; Y146-F154 WeakPolarHBondContact CB-O 3.41Å; L147-F154 HydrophobicContact CB-CB 4.39Å; L147-F154 HydrophobicContact CB-CD2 4.35Å; L147-F154 PolarHBondContact N-O 2.88Å; L147-F154 PolarHBondContact O-N 3.15Å; Q152-F154 HydrophobicContact CB-CE2 4.27Å; Q152-F154 HydrophobicContact CB-CZ 4.18Å; F154-I186 HydrophobicContact CD1-CD1 3.65Å; F154-I186 HydrophobicContact CE1-CD1 3.69Å; F154-V196 HydrophobicContact CB-CG2 4.27Å; F154-V196 HydrophobicContact CD1-CG2 4.11Å; F154-V196 HydrophobicContact CD2-CG2 3.91Å; F154-V196 HydrophobicContact CE1-CG2 4.43Å; F154-V196 HydrophobicContact CE2-CG2 4.26Å; F154-V196 HydrophobicContact CG-CG2 3.82Å; F154-W422 HydrophobicContact CB-CH2 4.2Å; F154-W422 WeakPolarHBondContact O-CH2 3.27Å
155	T	91	Very high	86.8	Confident	1 Å²	1	58 Å²	58	1%	0.006	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	167	177.2	176	0	0	0	0	109.6	V115 Y117 L142 G145 R157	V115-T155 PolarHBondContact N-O 3.5Å; V115-T155 PolarHBondContact O-N 3.49Å; Y117-T155 HydrophobicContact CD2-CG2 4Å; Y117-T155 HydrophobicContact CE2-CG2 3.69Å; L142-T155 PolarHBondContact O-OG1 2.67Å; G145-T155 PolarHBondContact O-OG1 2.76Å; T155-R157 WeakPolarHBondContact CG2-O 3.44Å; T155-R157 PolarHBondContact OG1-N 2.89Å; T155-R157 VanDerWaalsContact OG1-N 3.14Å
156	T	87.1	Confident	87.2	Confident	36 Å²	36	58.7 Å²	58.7	22%	0.221	28%	0.282	C	S	.	.	S	Bend	trans	-88.9	-11.6	168.5	57.8	0	0	0	0	113	W112 W422 N423	W112-T156 HydrophobicContact CZ2-CG2 4.35Å; T156-W422 HydrophobicContact CG2-CE3 3.73Å; T156-W422 HydrophobicContact CG2-CZ3 4.14Å; T156-N423 PolarHBondContact OG1-ND2 2.79Å
157	R	86.9	Confident	87.1	Confident	114 Å²	114	61 Å²	61	43%	0.43	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-83.9	127.2	178.6	-171.2	178.9	-174	167.6	6.1	110.2	Y117 L141 T155	Y117-R157 PolarHBondContact OH-O 2.88Å; L141-R157 VanDerWaalsContact O-CD 3.31Å; L141-R157 WeakPolarHBondContact O-CD 3.48Å; L141-R157 PolarHBondContact O-NH1 3.41Å; T155-R157 WeakPolarHBondContact CG2-O 3.44Å; T155-R157 PolarHBondContact OG1-N 2.89Å; T155-R157 VanDerWaalsContact OG1-N 3.14Å
158	K	87.4	Confident	87.1	Confident	126 Å²	126	60.9 Å²	60.9	55%	0.548	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-86.7	126.2	163.9	-161.6	-166.3	177.4	-171	0	108.9	V115 Y117 F185	V115-K158 HydrophobicContact CG2-CB 4.41Å; Y117-K158 WeakPolarHBondContact OH-CA 3.47Å; K158-F185 HydrophobicContact CD-CZ 4.02Å
159	F	88.3	Confident	86.9	Confident	16 Å²	16	64.9 Å²	64.9	7%	0.07	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-75.7	149.5	164.8	-57.3	-58	0	0	0	110.9	Y117 L141 L142 I180	Y117-F159 HydrophobicContact CD1-CD2 4.15Å; Y117-F159 HydrophobicContact CD2-CE2 4.43Å; Y117-F159 AromaticContact CE1-CD2 3.5Å; Y117-F159 HydrophobicContact CE1-CD2 3.5Å; Y117-F159 VanDerWaalsContact CE1-CD2 3.5Å; Y117-F159 HydrophobicContact CE1-CE2 4.17Å; Y117-F159 HydrophobicContact CE1-CG 4.46Å; Y117-F159 HydrophobicContact CE2-CD2 4.01Å; Y117-F159 HydrophobicContact CE2-CE2 4.03Å; Y117-F159 AromaticContact CZ-CD2 3.41Å; Y117-F159 VanDerWaalsContact CZ-CD2 3.41Å; Y117-F159 AromaticContact CZ-CE2 3.91Å; Y117-F159 PolarHBondContact OH-N 2.96Å; L141-F159 HydrophobicContact CG-CE1 4.09Å; L142-F159 HydrophobicContact CD2-CZ 4.15Å; F159-I180 HydrophobicContact CD2-CG2 4.33Å; F159-I180 HydrophobicContact CE2-CG2 4.04Å
160	E	84.7	Confident	87	Confident	199 Å²	199	63.2 Å²	63.2	93%	0.93	32%	0.319	S	S	*	.	S	Bend	trans	-71.6	-38.7	179.8	-67.3	167.4	-161.4	0	0	111.7
161	Q	85.1	Confident	86.9	Confident	123 Å²	123	73.5 Å²	73.5	58%	0.575	36%	0.363	S	S	*	.	S	Bend	trans	-88.5	140.8	-180	-64	169.8	-7.8	0	0	111	I163	Q161-I163 VanDerWaalsContact C-N 3.26Å; Q161-I163 PolarHBondContact O-N 2.88Å
162	E	82.5	Confident	86.7	Confident	127 Å²	127	77.2 Å²	77.2	59%	0.593	38%	0.382	S	S	*	.	S	Bend	trans	-64.5	-32.9	175.1	-166	-172.3	163.4	0	0	112	K181 F182	E162-K181 CarbonylContact O-C 3.57Å; E162-K181 WeakPolarHBondContact O-CA 3.5Å; E162-F182 HydrophobicContact CG-CB 4.19Å; E162-F182 PolarHBondContact O-N 3.2Å
163	I	89.2	Confident	86.4	Confident	78 Å²	78	79.8 Å²	79.8	40%	0.4	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	114.5	171.1	-58.4	177.2	0	0	0	107.9	Q161 V165 S179 I180 K181	Q161-I163 VanDerWaalsContact C-N 3.26Å; Q161-I163 PolarHBondContact O-N 2.88Å; I163-V165 HydrophobicContact CG2-CG2 4.14Å; I163-S179 WeakPolarHBondContact CG2-OG 3.48Å; I163-I180 WeakPolarHBondContact CA-O 3.12Å; I163-K181 HydrophobicContact CD1-CD 4.47Å; I163-K181 HydrophobicContact CG1-CB 4.27Å; I163-K181 HydrophobicContact CG1-CD 4.46Å; I163-K181 HydrophobicContact CG1-CG 4.08Å
164	T	88.3	Confident	86.2	Confident	15 Å²	15	84.2 Å²	84.2	9%	0.092	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	119.6	172.6	-57.2	0	0	0	0	108.9	L141 L166 I180	L141-T164 HydrophobicContact CD2-CG2 4.22Å; T164-L166 HydrophobicContact CG2-CD2 4.01Å; T164-I180 PolarHBondContact N-O 2.95Å; T164-I180 PolarHBondContact O-N 2.71Å
165	V	88.8	Confident	86.1	Confident	85 Å²	85	89 Å²	89	52%	0.515	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	128.4	178.9	-177	0	0	0	0	110.3	I163 I178	I163-V165 HydrophobicContact CG2-CG2 4.14Å; V165-I178 CarbonylContact C-O 3.58Å; V165-I178 WeakPolarHBondContact CA-O 3.44Å
166	L	88.6	Confident	86.1	Confident	18 Å²	18	89.6 Å²	89.6	9%	0.094	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	133.7	177.3	-50.4	178	0	0	0	110.2	H138 L141 T164 K177 I178 I180	H138-L166 HydrophobicContact CB-CD1 3.81Å; L141-L166 HydrophobicContact CD2-CD1 4.08Å; L141-L166 HydrophobicContact CD2-CD2 3.3Å; L141-L166 HydrophobicContact CD2-CG 4.29Å; T164-L166 HydrophobicContact CG2-CD2 4.01Å; L166-K177 CarbonylContact O-C 3.56Å; L166-K177 VanDerWaalsContact O-CA 3.31Å; L166-K177 WeakPolarHBondContact O-CA 3.49Å; L166-I178 HydrophobicContact CB-CB 4.2Å; L166-I178 HydrophobicContact CB-CD1 4.49Å; L166-I178 HydrophobicContact CB-CG1 4.47Å; L166-I178 PolarHBondContact N-O 2.81Å; L166-I178 PolarHBondContact O-N 2.81Å; L166-I180 HydrophobicContact CD1-CD1 3.68Å; L166-I180 HydrophobicContact CG-CD1 4.35Å
167	S	89.2	Confident	86.3	Confident	81 Å²	81	93.8 Å²	93.8	57%	0.566	46%	0.461	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.1	150.6	177.8	-56.9	0	0	0	0	110.3	Y176	S167-Y176 WeakPolarHBondContact CA-O 3.48Å
168	G	86.4	Confident	86.6	Confident	23 Å²	23	88.3 Å²	88.3	24%	0.237	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.3	172.7	170.8	0	0	0	0	0	112.6	E175 Y176	G168-E175 WeakPolarHBondContact O-CA 3.43Å; G168-Y176 VanDerWaalsContact C-CE1 3.5Å; G168-Y176 PolarHBondContact N-O 3.41Å; G168-Y176 VanDerWaalsContact O-CD1 3.23Å; G168-Y176 WeakPolarHBondContact O-CD1 3.47Å; G168-Y176 WeakPolarHBondContact O-CE1 3.37Å; G168-Y176 PolarHBondContact O-N 2.87Å
169	K	84.1	Confident	86.9	Confident	103 Å²	103	83.9 Å²	83.9	45%	0.448	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	142.9	173.4	-67.4	-161.5	173.7	-169.5	0	111.6	D173 E175 Y176	K169-D173 WeakPolarHBondContact CD-OD1 3.3Å; K169-D173 IonicContact NZ-OD1 2.69Å; K169-D173 IonicContact NZ-OD2 3.36Å; K169-D173 PolarHBondContact NZ-OD2 3.36Å; K169-E175 HydrophobicContact CD-CG 4.34Å; K169-E175 WeakPolarHBondContact CE-OE1 3.14Å; K169-E175 HydrophobicContact CG-CG 3.88Å; K169-Y176 VanDerWaalsContact C-CE1 3.46Å; K169-Y176 WeakPolarHBondContact O-CE1 3.38Å
170	S	81.3	Confident	87.1	Confident	34 Å²	34	83.1 Å²	83.1	24%	0.238	42%	0.422	C	S	.	.			trans	-77.8	174.7	174.3	77.4	0	0	0	0	111.4	L172 D173 I174	S170-L172 PolarHBondContact O-N 2.93Å; S170-L172 VanDerWaalsContact O-N 3.1Å; S170-L172 PolarHBondContact OG-N 3.06Å; S170-L172 VanDerWaalsContact OG-N 3.16Å; S170-D173 PolarHBondContact O-N 3.2Å; S170-I174 WeakPolarHBondContact CB-O 3.41Å; S170-I174 PolarHBondContact N-O 2.8Å; S170-I174 WeakPolarHBondContact OG-CB 3.35Å; S170-I174 PolarHBondContact OG-N 3.36Å; S170-I174 PolarHBondContact OG-O 2.86Å
171	K	79.1	Confident	87.5	Confident	219 Å²	219	78.5 Å²	78.5	95%	0.952	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-9.1	171.7	-64.2	-169.1	177.1	-168.6	0	114.3
172	L	81.2	Confident	87.9	Confident	143 Å²	143	75 Å²	75	75%	0.749	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.6	21.1	176.5	-60.4	172.9	0	0	0	110.9	S170 I174	S170-L172 PolarHBondContact O-N 2.93Å; S170-L172 VanDerWaalsContact O-N 3.1Å; S170-L172 PolarHBondContact OG-N 3.06Å; S170-L172 VanDerWaalsContact OG-N 3.16Å; L172-I174 HydrophobicContact CB-CD1 4.28Å; L172-I174 HydrophobicContact CB-CG1 4.23Å; L172-I174 PolarHBondContact O-N 3.11Å
173	D	82.8	Confident	88.4	Confident	103 Å²	103	72.7 Å²	72.7	55%	0.551	38%	0.375	S	S	*	.	S	Bend	trans	57.4	-1	-175.2	-143.7	57.1	0	0	0	116.9	K169 S170 E175	K169-D173 WeakPolarHBondContact CD-OD1 3.3Å; K169-D173 IonicContact NZ-OD1 2.69Å; K169-D173 IonicContact NZ-OD2 3.36Å; K169-D173 PolarHBondContact NZ-OD2 3.36Å; S170-D173 PolarHBondContact O-N 3.2Å; D173-E175 PolarHBondContact O-N 2.68Å
174	I	86.8	Confident	88.5	Confident	92 Å²	92	69.8 Å²	69.8	47%	0.472	37%	0.365	S	S	.	.			trans	-57.7	121.2	172.6	-52.2	172.1	0	0	0	109.7	P123 S170 L172	P123-I174 HydrophobicContact CG-CG2 4.2Å; S170-I174 WeakPolarHBondContact CB-O 3.41Å; S170-I174 PolarHBondContact N-O 2.8Å; S170-I174 WeakPolarHBondContact OG-CB 3.35Å; S170-I174 PolarHBondContact OG-N 3.36Å; S170-I174 PolarHBondContact OG-O 2.86Å; L172-I174 HydrophobicContact CB-CD1 4.28Å; L172-I174 HydrophobicContact CB-CG1 4.23Å; L172-I174 PolarHBondContact O-N 3.11Å
175	E	89.4	Confident	88.6	Confident	133 Å²	133	73.2 Å²	73.2	62%	0.621	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.8	135.6	170.4	-74.1	-175.2	-175.2	0	0	111.2	P123 G168 K169 D173	P123-E175 WeakPolarHBondContact CD-O 3.5Å; G168-E175 WeakPolarHBondContact O-CA 3.43Å; K169-E175 HydrophobicContact CD-CG 4.34Å; K169-E175 WeakPolarHBondContact CE-OE1 3.14Å; K169-E175 HydrophobicContact CG-CG 3.88Å; D173-E175 PolarHBondContact O-N 2.68Å
176	Y	90.7	Very high	88.5	Confident	14 Å²	14	69.3 Å²	69.3	6%	0.055	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	147.4	172	63.8	-97.3	0	0	0	110.9	V122 V134 H138 S167 G168 K169 I178	V122-Y176 CarbonylContact O-C 3.55Å; V122-Y176 VanDerWaalsContact O-CA 3.23Å; V122-Y176 WeakPolarHBondContact O-CA 3.4Å; V134-Y176 HydrophobicContact CG1-CD1 4.08Å; V134-Y176 HydrophobicContact CG1-CD2 3.6Å; V134-Y176 HydrophobicContact CG1-CE1 3.96Å; V134-Y176 HydrophobicContact CG1-CE2 3.5Å; V134-Y176 VanDerWaalsContact CG1-CE2 3.5Å; V134-Y176 HydrophobicContact CG1-CG 3.92Å; H138-Y176 AromaticContact NE2-CE2 3.55Å; H138-Y176 AromaticContact NE2-CZ 3.74Å; H138-Y176 PolarHBondContact NE2-OH 3.32Å; S167-Y176 WeakPolarHBondContact CA-O 3.48Å; G168-Y176 VanDerWaalsContact C-CE1 3.5Å; G168-Y176 PolarHBondContact N-O 3.41Å; G168-Y176 VanDerWaalsContact O-CD1 3.23Å; G168-Y176 WeakPolarHBondContact O-CD1 3.47Å; G168-Y176 WeakPolarHBondContact O-CE1 3.37Å; G168-Y176 PolarHBondContact O-N 2.87Å; K169-Y176 VanDerWaalsContact C-CE1 3.46Å; K169-Y176 WeakPolarHBondContact O-CE1 3.38Å; Y176-I178 HydrophobicContact CD2-CD1 4.18Å; Y176-I178 HydrophobicContact CD2-CG1 3.74Å; Y176-I178 HydrophobicContact CE2-CD1 3.86Å; Y176-I178 HydrophobicContact CE2-CG1 3.9Å
177	K	91.9	Very high	88.2	Confident	123 Å²	123	71.1 Å²	71.1	54%	0.535	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	131	166.5	-65.4	-179.6	-179.1	177	0	108.6	F121 V122 L166	F121-K177 WeakPolarHBondContact CA-O 3.23Å; V122-K177 HydrophobicContact CB-CB 4.49Å; V122-K177 PolarHBondContact N-O 2.76Å; V122-K177 PolarHBondContact O-N 3.27Å; L166-K177 CarbonylContact O-C 3.56Å; L166-K177 VanDerWaalsContact O-CA 3.31Å; L166-K177 WeakPolarHBondContact O-CA 3.49Å
178	I	93.4	Very high	87.4	Confident	0 Å²	0	70.2 Å²	70.2	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	126.9	173.9	-44.3	-179.4	0	0	0	107.1	V119 E120 F121 V134 L135 V165 L166 Y176 I180	V119-I178 HydrophobicContact CG1-CG2 3.38Å; E120-I178 CarbonylContact O-C 3.38Å; E120-I178 WeakPolarHBondContact O-CA 3.35Å; F121-I178 HydrophobicContact CD1-CD1 4.5Å; F121-I178 HydrophobicContact CD1-CG1 4.04Å; F121-I178 HydrophobicContact CD1-CG2 4.29Å; F121-I178 HydrophobicContact CE1-CD1 4.04Å; F121-I178 HydrophobicContact CE1-CG1 4.04Å; F121-I178 HydrophobicContact CE1-CG2 4.01Å; F121-I178 HydrophobicContact CZ-CG2 4.26Å; V134-I178 HydrophobicContact CG1-CD1 3.99Å; V134-I178 HydrophobicContact CG1-CG1 4.43Å; L135-I178 HydrophobicContact CD1-CD1 3.91Å; L135-I178 HydrophobicContact CD1-CG2 4.03Å; V165-I178 CarbonylContact C-O 3.58Å; V165-I178 WeakPolarHBondContact CA-O 3.44Å; L166-I178 HydrophobicContact CB-CB 4.2Å; L166-I178 HydrophobicContact CB-CD1 4.49Å; L166-I178 HydrophobicContact CB-CG1 4.47Å; L166-I178 PolarHBondContact N-O 2.81Å; L166-I178 PolarHBondContact O-N 2.81Å; Y176-I178 HydrophobicContact CD2-CD1 4.18Å; Y176-I178 HydrophobicContact CD2-CG1 3.74Å; Y176-I178 HydrophobicContact CE2-CD1 3.86Å; Y176-I178 HydrophobicContact CE2-CG1 3.9Å; I178-I180 HydrophobicContact CG2-CG1 4.07Å
179	S	92.4	Very high	86.6	Confident	33 Å²	33	71.3 Å²	71.3	23%	0.231	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	115.8	172	-176.2	0	0	0	0	108.8	V119 E120 I163	V119-S179 WeakPolarHBondContact CA-O 3.36Å; E120-S179 PolarHBondContact N-O 3.49Å; E120-S179 PolarHBondContact O-N 2.79Å; I163-S179 WeakPolarHBondContact CG2-OG 3.48Å
180	I	93.6	Very high	86.3	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	101.3	178.2	-56.3	176.9	0	0	0	108	Y117 H118 V119 L135 L142 L153 F159 I163 T164 L166 I178	Y117-I180 HydrophobicContact CD1-CG2 3.72Å; Y117-I180 HydrophobicContact CG-CG2 3.87Å; H118-I180 CarbonylContact O-C 3.58Å; H118-I180 WeakPolarHBondContact O-CA 3.5Å; V119-I180 HydrophobicContact CG1-CG1 4.25Å; V119-I180 HydrophobicContact CG2-CG1 4.4Å; L135-I180 HydrophobicContact CD1-CD1 4.14Å; L142-I180 HydrophobicContact CD2-CD1 3.97Å; L153-I180 HydrophobicContact CD2-CD1 4.43Å; L153-I180 HydrophobicContact CD2-CG2 3.91Å; F159-I180 HydrophobicContact CD2-CG2 4.33Å; F159-I180 HydrophobicContact CE2-CG2 4.04Å; I163-I180 WeakPolarHBondContact CA-O 3.12Å; T164-I180 PolarHBondContact N-O 2.95Å; T164-I180 PolarHBondContact O-N 2.71Å; L166-I180 HydrophobicContact CD1-CD1 3.68Å; L166-I180 HydrophobicContact CG-CD1 4.35Å; I178-I180 HydrophobicContact CG2-CG1 4.07Å
181	K	93.4	Very high	86.1	Confident	101 Å²	101	69.7 Å²	69.7	44%	0.439	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	129.4	-178.8	-178.2	170.5	-177.4	175.9	0	111.4	Y117 H118 E162 I163	Y117-K181 CarbonylContact C-O 3.56Å; Y117-K181 VanDerWaalsContact CA-O 3.23Å; Y117-K181 WeakPolarHBondContact CA-O 3.45Å; H118-K181 PolarHBondContact N-O 3.46Å; H118-K181 PolarHBondContact O-N 2.85Å; E162-K181 CarbonylContact O-C 3.57Å; E162-K181 WeakPolarHBondContact O-CA 3.5Å; I163-K181 HydrophobicContact CD1-CD 4.47Å; I163-K181 HydrophobicContact CG1-CB 4.27Å; I163-K181 HydrophobicContact CG1-CD 4.46Å; I163-K181 HydrophobicContact CG1-CG 4.08Å
182	F	93.4	Very high	86.3	Confident	51 Å²	51	64.8 Å²	64.8	22%	0.224	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	134.4	173.6	179.1	-98	0	0	0	110.8	V115 Y117 E162 F185	V115-F182 HydrophobicContact CG1-CD2 3.85Å; V115-F182 HydrophobicContact CG1-CE2 3.53Å; Y117-F182 VanDerWaalsContact CD1-CA 3.49Å; Y117-F182 HydrophobicContact CD1-CB 4.12Å; Y117-F182 HydrophobicContact CD1-CD2 4.47Å; Y117-F182 HydrophobicContact CE1-CB 3.84Å; Y117-F182 AromaticContact CE1-CD2 3.75Å; Y117-F182 HydrophobicContact CE1-CD2 3.75Å; Y117-F182 HydrophobicContact CE1-CG 4.29Å; E162-F182 HydrophobicContact CG-CB 4.19Å; E162-F182 PolarHBondContact O-N 3.2Å; F182-F185 HydrophobicContact CZ-CD2 4.35Å; F182-F185 HydrophobicContact CZ-CE2 4.12Å; F182-F185 HydrophobicContact CZ-CZ 4.47Å
183	V	92	Very high	86.6	Confident	77 Å²	77	58.1 Å²	58.1	47%	0.467	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	-39.8	176.5	-178.4	0	0	0	0	110.8	H116 H118	H116-V183 WeakPolarHBondContact O-CB 3.05Å; H116-V183 PolarHBondContact O-N 2.69Å; H118-V183 HydrophobicContact CB-CG2 3.93Å
184	G	91.2	Very high	86.5	Confident	17 Å²	17	54 Å²	54	18%	0.175	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	159.5	-170	178.9	0	0	0	0	0	114.1	H116	H116-G184 PolarHBondContact N-O 3.15Å; H116-G184 PolarHBondContact O-N 3.42Å
185	F	90.4	Very high	86.4	Confident	87 Å²	87	52.3 Å²	52.3	38%	0.382	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	138.6	168.2	-60.1	-79.5	0	0	0	109.7	R113 V115 K158 F182 S187	R113-F185 HydrophobicContact CB-CD1 4.06Å; V115-F185 HydrophobicContact CG2-CD1 4.06Å; V115-F185 HydrophobicContact CG2-CE1 3.98Å; K158-F185 HydrophobicContact CD-CZ 4.02Å; F182-F185 HydrophobicContact CZ-CD2 4.35Å; F182-F185 HydrophobicContact CZ-CE2 4.12Å; F182-F185 HydrophobicContact CZ-CZ 4.47Å; F185-S187 PolarHBondContact O-N 3.17Å
186	I	87.8	Confident	86.3	Confident	3 Å²	3	46.1 Å²	46.1	2%	0.015	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	123.9	171.7	-49.1	-175.1	0	0	0	108.8	I114 H116 F154 E190 R192 F193 V196	I114-I186 HydrophobicContact CB-CB 4.34Å; I114-I186 HydrophobicContact CB-CD1 4.32Å; I114-I186 HydrophobicContact CB-CG1 4.4Å; I114-I186 HydrophobicContact CG2-CD1 3.73Å; I114-I186 HydrophobicContact CG2-CG1 4.19Å; I114-I186 PolarHBondContact O-N 3.42Å; H116-I186 HydrophobicContact CB-CD1 4.46Å; H116-I186 HydrophobicContact CB-CG1 4.1Å; F154-I186 HydrophobicContact CD1-CD1 3.65Å; F154-I186 HydrophobicContact CE1-CD1 3.69Å; I186-E190 HydrophobicContact CG2-CB 3.94Å; I186-R192 HydrophobicContact CD1-CB 4.3Å; I186-R192 HydrophobicContact CG2-CB 4.05Å; I186-F193 HydrophobicContact CG2-CB 3.81Å; I186-F193 HydrophobicContact CG2-CD2 4.34Å; I186-V196 HydrophobicContact CD1-CG2 4.11Å
187	S	80.7	Confident	86.3	Confident	57 Å²	57	45.4 Å²	45.4	40%	0.399	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-73.2	145.4	171.4	177.8	0	0	0	0	111.4	F185 A189 E190 F193	F185-S187 PolarHBondContact O-N 3.17Å; S187-A189 PolarHBondContact O-N 3.21Å; S187-A189 VanDerWaalsContact O-N 3.08Å; S187-A189 PolarHBondContact OG-N 3.28Å; S187-E190 PolarHBondContact N-OE1 3.4Å; S187-E190 WeakPolarHBondContact O-CB 3.42Å; S187-E190 PolarHBondContact O-N 2.99Å; S187-F193 WeakPolarHBondContact O-CB 3.33Å
188	C	73.3	Confident	86	Confident	62 Å²	62	40.6 Å²	40.6	42%	0.419	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-19.6	174.9	-56.9	0	0	0	0	113.4	F193 Q243	C188-F193 HydrophobicContact CB-CD1 4.38Å; C188-F193 HydrophobicContact CB-CE1 4.14Å; C188-F193 HydrophobicContact CB-CE2 4.5Å; C188-F193 HydrophobicContact CB-CZ 4.19Å; C188-F193 VanDerWaalsContact SG-CZ 3.56Å; C188-Q243 HydrophobicContact CB-CG 4.44Å
189	A	69.6	Low	85.6	Confident	46 Å²	46	44.3 Å²	44.3	38%	0.38	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-11.3	174.6	0	0	0	0	0	113.8	Y78 S187	Y78-A189 WeakPolarHBondContact CE2-O 3.45Å; Y78-A189 VanDerWaalsContact CZ-O 3.31Å; S187-A189 PolarHBondContact O-N 3.21Å; S187-A189 VanDerWaalsContact O-N 3.08Å; S187-A189 PolarHBondContact OG-N 3.28Å
190	E	77.4	Confident	85.5	Confident	56 Å²	56	42.8 Å²	42.8	26%	0.262	23%	0.229	S	C	.	.	S	Bend	trans	-80.4	138.7	-179.5	-76.9	175.4	-110.5	0	0	112.4	I186 S187 R192 F193	I186-E190 HydrophobicContact CG2-CB 3.94Å; S187-E190 PolarHBondContact N-OE1 3.4Å; S187-E190 WeakPolarHBondContact O-CB 3.42Å; S187-E190 PolarHBondContact O-N 2.99Å; E190-R192 HydrophobicContact CB-CB 4.46Å; E190-R192 PolarHBondContact O-N 3.2Å; E190-R192 IonicContact OE2-NE 3.5Å; E190-F193 VanDerWaalsContact O-CB 3.24Å; E190-F193 WeakPolarHBondContact O-CB 3.41Å; E190-F193 PolarHBondContact O-N 2.96Å
191	P	78	Confident	85.2	Confident	46 Å²	46	43.1 Å²	43.1	30%	0.299	23%	0.23	S	C	.	.	H	α-helix	trans	-53.5	-29.8	170.6	-28.2	35.6	0	0	0	114	F193 L194 Q195	P191-F193 VanDerWaalsContact C-N 3.3Å; P191-F193 PolarHBondContact O-N 3.31Å; P191-L194 PolarHBondContact O-N 3.18Å; P191-Q195 WeakPolarHBondContact O-CG 3.45Å; P191-Q195 PolarHBondContact O-N 2.79Å; P191-Q195 VanDerWaalsContact O-N 3.09Å
192	R	83.3	Confident	84.8	Confident	117 Å²	117	44 Å²	44	44%	0.442	23%	0.231	S	C	.	.	H	α-helix	trans	-62.5	-35	177.3	-58.8	-178.3	-167.2	172.3	8.4	112.2	I186 E190 Q195 V196	I186-R192 HydrophobicContact CD1-CB 4.3Å; I186-R192 HydrophobicContact CG2-CB 4.05Å; E190-R192 HydrophobicContact CB-CB 4.46Å; E190-R192 PolarHBondContact O-N 3.2Å; E190-R192 IonicContact OE2-NE 3.5Å; R192-Q195 WeakPolarHBondContact O-CB 3.24Å; R192-Q195 PolarHBondContact O-N 2.91Å; R192-V196 WeakPolarHBondContact O-CG2 3.38Å; R192-V196 PolarHBondContact O-N 3.03Å
193	F	86.1	Confident	84.5	Confident	3 Å²	3	46.5 Å²	46.5	1%	0.013	24%	0.239	C	C	.	.	H	α-helix	trans	-60.5	-48.5	177.2	-172.5	-101.2	0	0	0	110.8	W112 I114 I186 S187 C188 E190 P191 Q195 V196 L197 Q243 I248	W112-F193 HydrophobicContact CH2-CE2 4.48Å; W112-F193 AromaticContact CZ3-CE2 3.71Å; W112-F193 HydrophobicContact CZ3-CE2 3.71Å; W112-F193 AromaticContact CZ3-CZ 3.77Å; W112-F193 HydrophobicContact CZ3-CZ 3.77Å; I114-F193 HydrophobicContact CD1-CD2 3.73Å; I114-F193 HydrophobicContact CD1-CE2 3.84Å; I114-F193 HydrophobicContact CG1-CD2 4.49Å; I114-F193 HydrophobicContact CG1-CE2 4.36Å; I186-F193 HydrophobicContact CG2-CB 3.81Å; I186-F193 HydrophobicContact CG2-CD2 4.34Å; S187-F193 WeakPolarHBondContact O-CB 3.33Å; C188-F193 HydrophobicContact CB-CD1 4.38Å; C188-F193 HydrophobicContact CB-CE1 4.14Å; C188-F193 HydrophobicContact CB-CE2 4.5Å; C188-F193 HydrophobicContact CB-CZ 4.19Å; C188-F193 VanDerWaalsContact SG-CZ 3.56Å; E190-F193 VanDerWaalsContact O-CB 3.24Å; E190-F193 WeakPolarHBondContact O-CB 3.41Å; E190-F193 PolarHBondContact O-N 2.96Å; P191-F193 VanDerWaalsContact C-N 3.3Å; P191-F193 PolarHBondContact O-N 3.31Å; F193-Q195 VanDerWaalsContact C-N 3.34Å; F193-Q195 PolarHBondContact O-N 3.41Å; F193-V196 PolarHBondContact O-N 3.31Å; F193-L197 HydrophobicContact CD1-CD1 3.77Å; F193-L197 HydrophobicContact CD1-CG 4.42Å; F193-L197 HydrophobicContact CE1-CD1 3.5Å; F193-L197 VanDerWaalsContact CE1-CD1 3.5Å; F193-L197 HydrophobicContact CE1-CG 4.32Å; F193-L197 HydrophobicContact CZ-CD1 4.22Å; F193-L197 WeakPolarHBondContact O-CG 3.31Å; F193-L197 PolarHBondContact O-N 3.45Å; F193-Q243 HydrophobicContact CE1-CB 4.24Å; F193-I248 HydrophobicContact CE1-CD1 4.41Å; F193-I248 HydrophobicContact CZ-CD1 4.08Å
194	L	82.7	Confident	84.3	Confident	15 Å²	15	42.9 Å²	42.9	8%	0.079	22%	0.217	C	C	.	.	H	α-helix	trans	-63.2	-38.4	175	-63.6	-178.5	0	0	0	112	Y76 P191 N198 R242	Y76-L194 HydrophobicContact CD2-CB 4.47Å; Y76-L194 HydrophobicContact CE2-CB 4.43Å; P191-L194 PolarHBondContact O-N 3.18Å; L194-N198 WeakPolarHBondContact O-CB 3.31Å; L194-N198 PolarHBondContact O-N 3.09Å; L194-N198 PolarHBondContact O-ND2 2.9Å; L194-R242 HydrophobicContact CD2-CB 4.11Å; L194-R242 HydrophobicContact CD2-CG 4.12Å
195	Q	83.4	Confident	84.2	Confident	58 Å²	58	42.3 Å²	42.3	27%	0.271	21%	0.21	S	C	.	.	H	α-helix	trans	-62.3	-46.8	175.7	-71.6	171.1	-11.2	0	0	111.7	D74 Y76 P191 R192 F193 N198 L199	D74-Q195 PolarHBondContact O-NE2 3.06Å; Y76-Q195 HydrophobicContact CD2-CG 3.83Å; Y76-Q195 HydrophobicContact CE2-CG 3.65Å; P191-Q195 WeakPolarHBondContact O-CG 3.45Å; P191-Q195 PolarHBondContact O-N 2.79Å; P191-Q195 VanDerWaalsContact O-N 3.09Å; R192-Q195 WeakPolarHBondContact O-CB 3.24Å; R192-Q195 PolarHBondContact O-N 2.91Å; F193-Q195 VanDerWaalsContact C-N 3.34Å; F193-Q195 PolarHBondContact O-N 3.41Å; Q195-N198 PolarHBondContact O-N 3.35Å; Q195-L199 WeakPolarHBondContact O-CG 3.44Å; Q195-L199 PolarHBondContact O-N 3.06Å
196	V	88.6	Confident	84	Confident	2 Å²	2	45.8 Å²	45.8	1%	0.012	23%	0.225	C	C	.	.	H	α-helix	trans	-60.8	-49.1	176.1	170.5	0	0	0	0	111.1	I114 L147 F154 I186 R192 F193 N198 L199 I200 W422	I114-V196 HydrophobicContact CD1-CB 4.05Å; I114-V196 HydrophobicContact CD1-CG1 3.56Å; I114-V196 HydrophobicContact CG1-CG1 4.49Å; I114-V196 HydrophobicContact CG2-CG1 4.24Å; L147-V196 HydrophobicContact CD1-CG1 4.1Å; F154-V196 HydrophobicContact CB-CG2 4.27Å; F154-V196 HydrophobicContact CD1-CG2 4.11Å; F154-V196 HydrophobicContact CD2-CG2 3.91Å; F154-V196 HydrophobicContact CE1-CG2 4.43Å; F154-V196 HydrophobicContact CE2-CG2 4.26Å; F154-V196 HydrophobicContact CG-CG2 3.82Å; I186-V196 HydrophobicContact CD1-CG2 4.11Å; R192-V196 WeakPolarHBondContact O-CG2 3.38Å; R192-V196 PolarHBondContact O-N 3.03Å; F193-V196 PolarHBondContact O-N 3.31Å; V196-N198 VanDerWaalsContact C-N 3.32Å; V196-N198 PolarHBondContact O-N 3.33Å; V196-L199 WeakPolarHBondContact O-CB 3.36Å; V196-L199 PolarHBondContact O-N 2.97Å; V196-I200 HydrophobicContact CG1-CD1 3.81Å; V196-I200 HydrophobicContact CG1-CG1 4.38Å; V196-I200 WeakPolarHBondContact O-CG1 3.48Å; V196-I200 PolarHBondContact O-N 2.68Å; V196-W422 HydrophobicContact CG1-CH2 4.13Å; V196-W422 HydrophobicContact CG1-CZ3 4.12Å
197	L	89.1	Confident	84	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-57	-43.1	176.4	-73.1	-179.5	0	0	0	112.5	W112 F193 L199 I200 L201 I241 I248 M424	W112-L197 HydrophobicContact CH2-CD2 3.94Å; F193-L197 HydrophobicContact CD1-CD1 3.77Å; F193-L197 HydrophobicContact CD1-CG 4.42Å; F193-L197 HydrophobicContact CE1-CD1 3.5Å; F193-L197 VanDerWaalsContact CE1-CD1 3.5Å; F193-L197 HydrophobicContact CE1-CG 4.32Å; F193-L197 HydrophobicContact CZ-CD1 4.22Å; F193-L197 WeakPolarHBondContact O-CG 3.31Å; F193-L197 PolarHBondContact O-N 3.45Å; L197-L199 VanDerWaalsContact C-N 3.33Å; L197-L199 PolarHBondContact O-N 3.2Å; L197-I200 HydrophobicContact CD2-CD1 4.46Å; L197-I200 PolarHBondContact O-N 3.49Å; L197-L201 WeakPolarHBondContact O-CB 3.38Å; L197-L201 PolarHBondContact O-N 3.35Å; L197-I241 HydrophobicContact CB-CD1 4Å; L197-I241 HydrophobicContact CB-CG1 4.11Å; L197-I241 HydrophobicContact CB-CG2 4Å; L197-I241 HydrophobicContact CD1-CG1 4.32Å; L197-I241 HydrophobicContact CD2-CD1 4.08Å; L197-I241 HydrophobicContact CG-CD1 4.44Å; L197-I248 HydrophobicContact CD1-CD1 4.25Å; L197-I248 HydrophobicContact CD1-CG1 4.42Å; L197-I248 HydrophobicContact CD1-CG2 4Å; L197-I248 HydrophobicContact CD2-CD1 4.21Å; L197-I248 HydrophobicContact CD2-CG2 4.47Å; L197-M424 HydrophobicContact CD2-CE 3.79Å; L197-M424 HydrophobicContact CD2-SD 4.42Å
198	N	86.5	Confident	84.4	Confident	22 Å²	22	44.2 Å²	44.2	12%	0.118	22%	0.217	C	C	.	.	H	α-helix	trans	-66.7	-32.5	176.7	-82.7	-86.7	0	0	0	112.5	Y76 L194 Q195 V196 R202 I241	Y76-N198 PolarHBondContact OH-ND2 3.44Å; L194-N198 WeakPolarHBondContact O-CB 3.31Å; L194-N198 PolarHBondContact O-N 3.09Å; L194-N198 PolarHBondContact O-ND2 2.9Å; Q195-N198 PolarHBondContact O-N 3.35Å; V196-N198 VanDerWaalsContact C-N 3.32Å; V196-N198 PolarHBondContact O-N 3.33Å; N198-R202 VanDerWaalsContact O-CB 3.29Å; N198-R202 WeakPolarHBondContact O-CB 3.4Å; N198-R202 WeakPolarHBondContact O-CG 3.48Å; N198-R202 PolarHBondContact O-N 3Å; N198-I241 HydrophobicContact CB-CG2 4.42Å; N198-I241 PolarHBondContact ND2-O 3.45Å
199	L	85.4	Confident	85.1	Confident	78 Å²	78	46.2 Å²	46.2	41%	0.408	22%	0.224	S	C	.	.	H	α-helix	trans	-71	-41.3	174.1	-72.9	170.8	0	0	0	112.3	L147 Q195 V196 L197 R202 R203	L147-L199 HydrophobicContact CD1-CB 3.48Å; L147-L199 VanDerWaalsContact CD1-CB 3.48Å; L147-L199 HydrophobicContact CD1-CD1 4.06Å; L147-L199 HydrophobicContact CD1-CG 4.43Å; L147-L199 HydrophobicContact CD2-CB 4.21Å; Q195-L199 WeakPolarHBondContact O-CG 3.44Å; Q195-L199 PolarHBondContact O-N 3.06Å; V196-L199 WeakPolarHBondContact O-CB 3.36Å; V196-L199 PolarHBondContact O-N 2.97Å; L197-L199 VanDerWaalsContact C-N 3.33Å; L197-L199 PolarHBondContact O-N 3.2Å; L199-R202 PolarHBondContact O-N 3.49Å; L199-R203 WeakPolarHBondContact O-CB 3.49Å; L199-R203 PolarHBondContact O-N 2.85Å
200	I	88.9	Confident	86	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-59.3	-50.5	172.9	-63.2	162.8	0	0	0	109.6	L147 V196 L197 R202 R203 S204 V418 L419 W422 M424	L147-I200 HydrophobicContact CD1-CG1 4.19Å; V196-I200 HydrophobicContact CG1-CD1 3.81Å; V196-I200 HydrophobicContact CG1-CG1 4.38Å; V196-I200 WeakPolarHBondContact O-CG1 3.48Å; V196-I200 PolarHBondContact O-N 2.68Å; L197-I200 HydrophobicContact CD2-CD1 4.46Å; L197-I200 PolarHBondContact O-N 3.49Å; I200-R202 PolarHBondContact O-N 3.15Å; I200-R203 PolarHBondContact O-N 2.85Å; I200-R203 VanDerWaalsContact O-N 3.11Å; I200-S204 PolarHBondContact O-N 2.9Å; I200-V418 HydrophobicContact CG2-CG1 4.41Å; I200-L419 HydrophobicContact CG2-CD2 4.3Å; I200-W422 HydrophobicContact CD1-CD2 3.42Å; I200-W422 VanDerWaalsContact CD1-CD2 3.42Å; I200-W422 HydrophobicContact CD1-CE3 3.37Å; I200-W422 HydrophobicContact CD1-CG 3.95Å; I200-W422 HydrophobicContact CD1-CH2 4.22Å; I200-W422 HydrophobicContact CD1-CZ2 4.27Å; I200-W422 HydrophobicContact CD1-CZ3 3.78Å; I200-W422 HydrophobicContact CG1-CD2 3.75Å; I200-W422 HydrophobicContact CG1-CE3 4.16Å; I200-W422 HydrophobicContact CG1-CG 4.11Å; I200-W422 HydrophobicContact CG1-CZ2 4.14Å; I200-W422 HydrophobicContact CG2-CB 4.5Å; I200-W422 HydrophobicContact CG2-CG 4.17Å; I200-M424 HydrophobicContact CD1-SD 4.44Å; I200-M424 HydrophobicContact CG2-SD 4.36Å
201	L	88	Confident	86.4	Confident	6 Å²	6	45.2 Å²	45.2	3%	0.031	21%	0.212	C	C	.	.	H	α-helix	trans	-59.4	-49.3	177.9	-172	74.8	0	0	0	111.5	L197 R203 S204 M205 I241 L250	L197-L201 WeakPolarHBondContact O-CB 3.38Å; L197-L201 PolarHBondContact O-N 3.35Å; L201-R203 PolarHBondContact O-N 2.9Å; L201-S204 PolarHBondContact O-N 3.34Å; L201-M205 HydrophobicContact CD1-CE 3.56Å; L201-M205 HydrophobicContact CD1-CG 4.47Å; L201-M205 HydrophobicContact CG-CE 4.08Å; L201-M205 HydrophobicContact CG-CG 4.19Å; L201-M205 WeakPolarHBondContact O-CB 3.44Å; L201-M205 WeakPolarHBondContact O-CG 3.45Å; L201-M205 PolarHBondContact O-N 3.44Å; L201-I241 HydrophobicContact CB-CG2 3.94Å; L201-I241 HydrophobicContact CD2-CB 4.02Å; L201-I241 HydrophobicContact CD2-CG2 3.8Å; L201-I241 HydrophobicContact CG-CG2 4.42Å; L201-L250 HydrophobicContact CD1-CD1 3.66Å; L201-L250 HydrophobicContact CD1-CD2 3.8Å; L201-L250 HydrophobicContact CD1-CG 4.34Å; L201-L250 HydrophobicContact CD2-CD1 3.65Å; L201-L250 HydrophobicContact CG-CD1 4.32Å
202	R	85	Confident	86.5	Confident	119 Å²	119	47.5 Å²	47.5	45%	0.449	22%	0.221	S	C	.	.	H	α-helix	trans	-59	-33.1	176.4	-75.8	174.3	-171.2	175.2	9.8	112.1	D74 N198 L199 I200 K206	D74-R202 IonicContact OD2-NH2 3.11Å; D74-R202 PolarHBondContact OD2-NH2 3.4Å; N198-R202 VanDerWaalsContact O-CB 3.29Å; N198-R202 WeakPolarHBondContact O-CB 3.4Å; N198-R202 WeakPolarHBondContact O-CG 3.48Å; N198-R202 PolarHBondContact O-N 3Å; L199-R202 PolarHBondContact O-N 3.49Å; I200-R202 PolarHBondContact O-N 3.15Å; R202-K206 WeakPolarHBondContact O-CG 3.33Å; R202-K206 PolarHBondContact O-N 2.65Å
203	R	86.3	Confident	86.1	Confident	105 Å²	105	42.2 Å²	42.2	40%	0.396	20%	0.202	S	C	.	.	H	α-helix	trans	-72.9	-41.8	175.7	-172.8	-179.9	177.8	170.1	-3.4	111.8	Y146 L199 I200 L201 K206 V418	Y146-R203 PolarHBondContact O-NH1 3.36Å; L199-R203 WeakPolarHBondContact O-CB 3.49Å; L199-R203 PolarHBondContact O-N 2.85Å; I200-R203 PolarHBondContact O-N 2.85Å; I200-R203 VanDerWaalsContact O-N 3.11Å; L201-R203 PolarHBondContact O-N 2.9Å; R203-K206 PolarHBondContact O-N 2.88Å; R203-V418 HydrophobicContact CB-CG1 3.97Å; R203-V418 HydrophobicContact CG-CG1 3.92Å; R203-V418 HydrophobicContact CG-CG2 3.95Å
204	S	89.8	Confident	85.5	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.007	23%	0.23	C	C	.	.	H	α-helix	trans	-64.3	-45.9	175.5	179	0	0	0	0	111.5	I200 L201 K206 G207 S415	I200-S204 PolarHBondContact O-N 2.9Å; L201-S204 PolarHBondContact O-N 3.34Å; S204-K206 PolarHBondContact O-N 2.73Å; S204-K206 VanDerWaalsContact O-N 3.13Å; S204-G207 PolarHBondContact O-N 3.19Å; S204-S415 WeakPolarHBondContact O-CA 3.39Å; S204-S415 VanDerWaalsContact O-CB 3.31Å; S204-S415 WeakPolarHBondContact O-CB 3.27Å; S204-S415 PolarHBondContact O-OG 2.66Å; S204-S415 PolarHBondContact OG-O 3.17Å
205	M	88.6	Confident	85	Confident	4 Å²	4	53.6 Å²	53.6	2%	0.02	26%	0.262	C	S	.	.	H	α-helix	trans	-62.3	-21.1	180	-68.2	-69	168.8	0	0	114.2	L201 G207 L208 L217 T239 L250 F405 L409	L201-M205 HydrophobicContact CD1-CE 3.56Å; L201-M205 HydrophobicContact CD1-CG 4.47Å; L201-M205 HydrophobicContact CG-CE 4.08Å; L201-M205 HydrophobicContact CG-CG 4.19Å; L201-M205 WeakPolarHBondContact O-CB 3.44Å; L201-M205 WeakPolarHBondContact O-CG 3.45Å; L201-M205 PolarHBondContact O-N 3.44Å; M205-G207 VanDerWaalsContact C-N 3.26Å; M205-G207 PolarHBondContact O-N 2.95Å; M205-L208 WeakPolarHBondContact O-CB 3.34Å; M205-L208 PolarHBondContact O-N 2.66Å; M205-L208 HydrophobicContact SD-CD1 3.89Å; M205-L217 HydrophobicContact CB-CD1 3.64Å; M205-L217 HydrophobicContact CG-CD1 3.66Å; M205-L217 HydrophobicContact SD-CD1 3.78Å; M205-T239 HydrophobicContact CE-CG2 4.14Å; M205-L250 HydrophobicContact CE-CD2 4.13Å; M205-F405 HydrophobicContact CE-CE1 4.34Å; M205-F405 HydrophobicContact CE-CZ 3.78Å; M205-F405 HydrophobicContact SD-CE2 4.45Å; M205-F405 HydrophobicContact SD-CZ 3.86Å; M205-L409 HydrophobicContact CE-CD1 4.36Å; M205-L409 HydrophobicContact CE-CD2 3.72Å; M205-L409 HydrophobicContact SD-CD1 4.12Å; M205-L409 HydrophobicContact SD-CD2 4.46Å
206	K	86.6	Confident	85.1	Confident	160 Å²	160	51.9 Å²	51.9	70%	0.696	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-31.3	172.4	-76.4	174	-179	-175.8	0	112.8	R202 R203 S204 L208 N209	R202-K206 WeakPolarHBondContact O-CG 3.33Å; R202-K206 PolarHBondContact O-N 2.65Å; R203-K206 PolarHBondContact O-N 2.88Å; S204-K206 PolarHBondContact O-N 2.73Å; S204-K206 VanDerWaalsContact O-N 3.13Å; K206-L208 PolarHBondContact O-N 3.11Å; K206-N209 PolarHBondContact O-N 3.21Å
207	G	87.6	Confident	85.1	Confident	22 Å²	22	52.5 Å²	52.5	23%	0.227	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-33.5	176.6	0	0	0	0	0	112.6	S204 M205 N209 T412 S415	S204-G207 PolarHBondContact O-N 3.19Å; M205-G207 VanDerWaalsContact C-N 3.26Å; M205-G207 PolarHBondContact O-N 2.95Å; G207-N209 PolarHBondContact O-N 3.13Å; G207-N209 VanDerWaalsContact O-N 3.1Å; G207-T412 WeakPolarHBondContact O-CG2 3.5Å; G207-S415 WeakPolarHBondContact CA-OG 3.41Å
208	L	88.6	Confident	85.1	Confident	6 Å²	6	52.8 Å²	52.8	3%	0.031	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-13.7	175.9	-64.3	-174	0	0	0	114.2	M205 K206 L210 F405 R408 L409 T412 S415	M205-L208 WeakPolarHBondContact O-CB 3.34Å; M205-L208 PolarHBondContact O-N 2.66Å; M205-L208 HydrophobicContact SD-CD1 3.89Å; K206-L208 PolarHBondContact O-N 3.11Å; L208-L210 VanDerWaalsContact C-N 3.32Å; L208-L210 HydrophobicContact CB-CD1 4Å; L208-L210 HydrophobicContact CB-CG 3.82Å; L208-L210 HydrophobicContact CD1-CD1 3.75Å; L208-L210 HydrophobicContact CD1-CG 4.5Å; L208-L210 PolarHBondContact O-N 3.34Å; L208-F405 HydrophobicContact CD1-CD2 4.48Å; L208-F405 HydrophobicContact CD1-CE2 3.71Å; L208-F405 HydrophobicContact CD1-CZ 4.29Å; L208-R408 HydrophobicContact CD2-CG 3.83Å; L208-R408 PolarHBondContact O-NH2 3.43Å; L208-L409 HydrophobicContact CD1-CD1 3.92Å; L208-L409 HydrophobicContact CD2-CB 4.4Å; L208-L409 HydrophobicContact CD2-CD1 4.1Å; L208-L409 HydrophobicContact CG-CD1 3.91Å; L208-T412 HydrophobicContact CD2-CG2 4.42Å; L208-T412 WeakPolarHBondContact CD2-OG1 3.25Å; L208-S415 PolarHBondContact N-OG 3.12Å
209	N	88.6	Confident	85.3	Confident	103 Å²	103	52.3 Å²	52.3	55%	0.551	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.4	52	-174.2	-167.3	14.1	0	0	0	112	K206 G207 R221	K206-N209 PolarHBondContact O-N 3.21Å; G207-N209 PolarHBondContact O-N 3.13Å; G207-N209 VanDerWaalsContact O-N 3.1Å; N209-R221 PolarHBondContact O-NH2 3.03Å
210	L	88.6	Confident	85.2	Confident	17 Å²	17	50 Å²	50	9%	0.089	25%	0.245	C	C	.	.			trans	-99.6	148.7	173.1	-65	177.1	0	0	0	110.3	L208 L217 D219 Y237	L208-L210 VanDerWaalsContact C-N 3.32Å; L208-L210 HydrophobicContact CB-CD1 4Å; L208-L210 HydrophobicContact CB-CG 3.82Å; L208-L210 HydrophobicContact CD1-CD1 3.75Å; L208-L210 HydrophobicContact CD1-CG 4.5Å; L208-L210 PolarHBondContact O-N 3.34Å; L210-L217 HydrophobicContact CB-CB 4.07Å; L210-L217 HydrophobicContact CB-CD2 4.47Å; L210-L217 HydrophobicContact CD1-CB 3.96Å; L210-D219 HydrophobicContact CD2-CB 3.53Å; L210-D219 WeakPolarHBondContact CD2-OD2 3.28Å; L210-Y237 HydrophobicContact CD1-CD2 4.1Å; L210-Y237 HydrophobicContact CD1-CE2 4.47Å
211	E	84.1	Confident	85	Confident	64 Å²	64	57.8 Å²	57.8	30%	0.299	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	128.3	-179.8	-72.8	-67.7	-172.3	0	0	112.3	V213 L217 F218 P220 N297	E211-V213 PolarHBondContact O-N 2.96Å; E211-L217 CarbonylContact O-C 3.6Å; E211-L217 WeakPolarHBondContact O-CA 3.45Å; E211-F218 PolarHBondContact N-O 3.01Å; E211-F218 PolarHBondContact O-N 3.48Å; E211-P220 HydrophobicContact CB-CG 4.07Å; E211-P220 HydrophobicContact CG-CG 3.58Å; E211-N297 HydrophobicContact CB-CB 4.26Å; E211-N297 VanDerWaalsContact CD-ND2 3.27Å; E211-N297 HydrophobicContact CG-CB 3.9Å; E211-N297 WeakPolarHBondContact CG-ND2 2.98Å; E211-N297 PolarHBondContact OE1-ND2 2.81Å
212	L	80.1	Confident	84.9	Confident	94 Å²	94	59.9 Å²	59.9	49%	0.492	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	99.1	178.4	-179.7	64.9	0	0	0	110.5	L217	L212-L217 HydrophobicContact CB-CD2 4.23Å; L212-L217 HydrophobicContact CD1-CD2 4.01Å
213	V	75.6	Confident	85	Confident	7 Å²	7	57.9 Å²	57.9	4%	0.042	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	98.9	177.3	-173.1	0	0	0	0	109.8	E211 R215 N216 F218 K257 L292 T299	E211-V213 PolarHBondContact O-N 2.96Å; V213-R215 PolarHBondContact O-N 2.89Å; V213-N216 PolarHBondContact N-O 2.82Å; V213-N216 PolarHBondContact O-N 2.86Å; V213-F218 HydrophobicContact CB-CD2 3.64Å; V213-F218 HydrophobicContact CB-CE2 3.87Å; V213-F218 HydrophobicContact CG2-CD2 3.9Å; V213-K257 HydrophobicContact CG1-CD 4.23Å; V213-L292 HydrophobicContact CG1-CD1 4.49Å; V213-T299 HydrophobicContact CG1-CG2 3.65Å
214	G	73.4	Confident	85.1	Confident	58 Å²	58	55.5 Å²	55.5	60%	0.598	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.3	-101.7	-174	0	0	0	0	0	111.2
215	R	72.3	Confident	85.1	Confident	199 Å²	199	59.1 Å²	59.1	75%	0.751	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115	-8.6	177.2	-68.4	-177.7	174	166.7	-3	113.9	V213	V213-R215 PolarHBondContact O-N 2.89Å
216	N	86.3	Confident	85	Confident	21 Å²	21	59.5 Å²	59.5	11%	0.112	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	149.8	-169.5	-62.2	1.1	0	0	0	110.1	V213 F218 E238 T255	V213-N216 PolarHBondContact N-O 2.82Å; V213-N216 PolarHBondContact O-N 2.86Å; N216-F218 HydrophobicContact CB-CD2 4.43Å; N216-F218 HydrophobicContact CB-CE2 3.58Å; N216-F218 HydrophobicContact CB-CZ 3.79Å; N216-F218 WeakPolarHBondContact O-CD2 3.27Å; N216-E238 PolarHBondContact ND2-OE2 2.74Å; N216-E238 WeakPolarHBondContact OD1-CG 3.32Å; N216-E238 PolarHBondContact OD1-OE2 2.86Å; N216-T255 HydrophobicContact CB-CG2 4.11Å
217	L	88.4	Confident	85	Confident	16 Å²	16	61.3 Å²	61.3	8%	0.084	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	123.5	-177.5	-63.1	167.5	0	0	0	109.2	M205 L210 E211 L212 G236 Y237 T239	M205-L217 HydrophobicContact CB-CD1 3.64Å; M205-L217 HydrophobicContact CG-CD1 3.66Å; M205-L217 HydrophobicContact SD-CD1 3.78Å; L210-L217 HydrophobicContact CB-CB 4.07Å; L210-L217 HydrophobicContact CB-CD2 4.47Å; L210-L217 HydrophobicContact CD1-CB 3.96Å; E211-L217 CarbonylContact O-C 3.6Å; E211-L217 WeakPolarHBondContact O-CA 3.45Å; L212-L217 HydrophobicContact CB-CD2 4.23Å; L212-L217 HydrophobicContact CD1-CD2 4.01Å; L217-G236 CarbonylContact O-C 3.44Å; L217-G236 WeakPolarHBondContact O-CA 3.13Å; L217-Y237 PolarHBondContact N-O 2.81Å; L217-Y237 PolarHBondContact O-N 2.67Å; L217-T239 HydrophobicContact CD1-CG2 4.4Å
218	F	89.5	Confident	84.9	Confident	5 Å²	5	68.2 Å²	68.2	2%	0.022	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	156.1	179.8	-63.9	-84.3	0	0	0	111.2	E211 V213 N216 P220 W234 P235 T255 K257	E211-F218 PolarHBondContact N-O 3.01Å; E211-F218 PolarHBondContact O-N 3.48Å; V213-F218 HydrophobicContact CB-CD2 3.64Å; V213-F218 HydrophobicContact CB-CE2 3.87Å; V213-F218 HydrophobicContact CG2-CD2 3.9Å; N216-F218 HydrophobicContact CB-CD2 4.43Å; N216-F218 HydrophobicContact CB-CE2 3.58Å; N216-F218 HydrophobicContact CB-CZ 3.79Å; N216-F218 WeakPolarHBondContact O-CD2 3.27Å; F218-P220 WeakPolarHBondContact O-CD 3.34Å; F218-W234 HydrophobicContact CB-CB 4.35Å; F218-W234 HydrophobicContact CB-CE3 4.34Å; F218-W234 HydrophobicContact CD1-CB 4.43Å; F218-W234 WeakPolarHBondContact CD1-O 3.11Å; F218-P235 WeakPolarHBondContact CA-O 3.39Å; F218-T255 HydrophobicContact CE1-CG2 3.73Å; F218-T255 HydrophobicContact CZ-CG2 3.87Å; F218-K257 HydrophobicContact CD1-CB 3.79Å; F218-K257 HydrophobicContact CE1-CB 3.62Å; F218-K257 HydrophobicContact CE2-CB 4.35Å; F218-K257 HydrophobicContact CE2-CD 4.31Å; F218-K257 HydrophobicContact CG-CB 4.26Å; F218-K257 HydrophobicContact CZ-CB 3.91Å; F218-K257 HydrophobicContact CZ-CD 4.21Å
219	D	89.2	Confident	84.7	Confident	13 Å²	13	70.1 Å²	70.1	7%	0.07	34%	0.338	C	S	.	.			trans	-111.5	96.1	175	-157.9	-33.8	0	0	0	110	L210 R221 A222 P235 R408	L210-D219 HydrophobicContact CD2-CB 3.53Å; L210-D219 WeakPolarHBondContact CD2-OD2 3.28Å; D219-R221 PolarHBondContact O-N 3.44Å; D219-R221 WeakPolarHBondContact OD1-CB 3.44Å; D219-R221 PolarHBondContact OD1-N 2.71Å; D219-R221 VanDerWaalsContact OD1-N 3.14Å; D219-R221 IonicContact OD1-NE 3.48Å; D219-A222 HydrophobicContact CB-CB 4.1Å; D219-A222 PolarHBondContact O-N 3.29Å; D219-A222 PolarHBondContact OD1-N 2.93Å; D219-P235 PolarHBondContact N-O 3.23Å; D219-R408 IonicContact OD2-CZ 2.76Å; D219-R408 IonicContact OD2-NH1 3.7Å; D219-R408 PolarHBondContact OD2-NH1 2.99Å; D219-R408 IonicContact OD2-NH2 2.95Å; D219-R408 PolarHBondContact OD2-NH2 3.12Å
220	P	83.8	Confident	84.5	Confident	28 Å²	28	72.5 Å²	72.5	18%	0.182	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-64.9	-22.9	178.1	-14.4	26.2	0	0	0	112.6	E211 F218 A222 K223 W234	E211-P220 HydrophobicContact CB-CG 4.07Å; E211-P220 HydrophobicContact CG-CG 3.58Å; F218-P220 WeakPolarHBondContact O-CD 3.34Å; P220-A222 VanDerWaalsContact C-N 3.32Å; P220-K223 WeakPolarHBondContact O-CB 3.48Å; P220-K223 WeakPolarHBondContact O-CG 3.45Å; P220-K223 PolarHBondContact O-N 2.86Å; P220-W234 HydrophobicContact CB-CD2 4.22Å; P220-W234 HydrophobicContact CB-CE3 4.11Å; P220-W234 HydrophobicContact CB-CH2 3.93Å; P220-W234 HydrophobicContact CB-CZ2 4.06Å; P220-W234 HydrophobicContact CB-CZ3 3.97Å; P220-W234 HydrophobicContact CG-CE3 3.97Å; P220-W234 HydrophobicContact CG-CH2 4.08Å; P220-W234 HydrophobicContact CG-CZ3 3.72Å
221	R	84.3	Confident	84.4	Confident	166 Å²	166	72 Å²	72	63%	0.626	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-74.9	-26.8	179.1	-64.2	175.5	-81.8	168.3	-5.7	111.4	N209 D219	N209-R221 PolarHBondContact O-NH2 3.03Å; D219-R221 PolarHBondContact O-N 3.44Å; D219-R221 WeakPolarHBondContact OD1-CB 3.44Å; D219-R221 PolarHBondContact OD1-N 2.71Å; D219-R221 VanDerWaalsContact OD1-N 3.14Å; D219-R221 IonicContact OD1-NE 3.48Å
222	A	85.5	Confident	84.7	Confident	49 Å²	49	69.4 Å²	69.4	41%	0.405	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-94.9	24.7	173.1	0	0	0	0	0	113.3	D219 P220 P235	D219-A222 HydrophobicContact CB-CB 4.1Å; D219-A222 PolarHBondContact O-N 3.29Å; D219-A222 PolarHBondContact OD1-N 2.93Å; P220-A222 VanDerWaalsContact C-N 3.32Å; A222-P235 HydrophobicContact CB-CG 3.81Å; A222-P235 WeakPolarHBondContact O-CD 3.44Å; A222-P235 VanDerWaalsContact O-CG 3.27Å; A222-P235 WeakPolarHBondContact O-CG 3.22Å
223	K	88.1	Confident	85.1	Confident	78 Å²	78	65 Å²	65	34%	0.339	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-59.7	141	179.2	64.6	165.6	-178.5	155.3	0	112.4	P220 E225 E232 W234	P220-K223 WeakPolarHBondContact O-CB 3.48Å; P220-K223 WeakPolarHBondContact O-CG 3.45Å; P220-K223 PolarHBondContact O-N 2.86Å; K223-E225 WeakPolarHBondContact CE-OE1 3.33Å; K223-E225 IonicContact NZ-OE1 3.07Å; K223-E225 PolarHBondContact NZ-OE1 2.71Å; K223-E232 HydrophobicContact CD-CG 4.2Å; K223-E232 WeakPolarHBondContact CD-OE2 3.15Å; K223-E232 VanDerWaalsContact NZ-CD 3.34Å; K223-E232 IonicContact NZ-OE1 3.1Å; K223-E232 PolarHBondContact NZ-OE1 3.34Å; K223-E232 VanDerWaalsContact NZ-OE1 3.1Å; K223-E232 IonicContact NZ-OE2 3.88Å; K223-W234 HydrophobicContact CB-CG 4.46Å
224	I	88.5	Confident	85.8	Confident	54 Å²	54	65.1 Å²	65.1	28%	0.277	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	117.8	173.7	-56.4	178.5	0	0	0	108.2	E232 L233 Y390	I224-E232 CarbonylContact O-C 3.57Å; I224-E232 WeakPolarHBondContact O-CA 3.34Å; I224-L233 HydrophobicContact CB-CB 4.38Å; I224-L233 HydrophobicContact CD1-CD2 4.34Å; I224-L233 PolarHBondContact N-O 2.83Å; I224-L233 PolarHBondContact O-N 3.12Å; I224-Y390 HydrophobicContact CD1-CD1 4Å; I224-Y390 HydrophobicContact CG2-CD1 4.1Å; I224-Y390 HydrophobicContact CG2-CE1 3.91Å; I224-Y390 HydrophobicContact CG2-CE2 4.43Å; I224-Y390 HydrophobicContact CG2-CG 4.45Å
225	E	88.7	Confident	86.6	Confident	78 Å²	78	63.8 Å²	63.8	36%	0.364	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	125.9	177.5	-58.4	-166.4	157.2	0	0	111.4	K223 R227 E232	K223-E225 WeakPolarHBondContact CE-OE1 3.33Å; K223-E225 IonicContact NZ-OE1 3.07Å; K223-E225 PolarHBondContact NZ-OE1 2.71Å; E225-R227 HydrophobicContact CB-CG 4.22Å; E225-R227 IonicContact OE2-CZ 3.14Å; E225-R227 VanDerWaalsContact OE2-CZ 3.31Å; E225-R227 IonicContact OE2-NE 2.69Å; E225-R227 PolarHBondContact OE2-NE 3.23Å; E225-R227 IonicContact OE2-NH2 3.67Å; E225-R227 PolarHBondContact OE2-NH2 2.85Å; E225-E232 HydrophobicContact CG-CG 4.34Å
226	I	87.8	Confident	87.5	Confident	12 Å²	12	54.3 Å²	54.3	6%	0.062	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	76.3	172.9	-50.3	-179.3	0	0	0	107.3	E228 F229 K230 M231 M387 Y390	I226-E228 VanDerWaalsContact C-N 3.34Å; I226-E228 PolarHBondContact O-N 3.07Å; I226-F229 HydrophobicContact CG2-CB 4.49Å; I226-F229 HydrophobicContact CG2-CD2 3.8Å; I226-F229 PolarHBondContact O-N 3.45Å; I226-K230 PolarHBondContact O-N 2.84Å; I226-M231 CarbonylContact C-O 3.54Å; I226-M231 HydrophobicContact CB-CB 4.44Å; I226-M231 PolarHBondContact N-O 3.38Å; I226-M231 PolarHBondContact O-N 3.13Å; I226-M387 HydrophobicContact CD1-CG 4Å; I226-Y390 HydrophobicContact CD1-CD2 4.01Å; I226-Y390 HydrophobicContact CD1-CE2 4.15Å; I226-Y390 HydrophobicContact CG1-CE2 4.26Å
227	R	84.9	Confident	87.8	Confident	198 Å²	198	55 Å²	55	75%	0.747	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-60	-40.1	-169.8	-65.7	-176.3	176.4	-178.3	-1.1	113.2	E225 F229 K230	E225-R227 HydrophobicContact CB-CG 4.22Å; E225-R227 IonicContact OE2-CZ 3.14Å; E225-R227 VanDerWaalsContact OE2-CZ 3.31Å; E225-R227 IonicContact OE2-NE 2.69Å; E225-R227 PolarHBondContact OE2-NE 3.23Å; E225-R227 IonicContact OE2-NH2 3.67Å; E225-R227 PolarHBondContact OE2-NH2 2.85Å; R227-F229 PolarHBondContact O-N 3.41Å; R227-F229 VanDerWaalsContact O-N 3.08Å; R227-K230 PolarHBondContact O-N 3.45Å
228	E	85.8	Confident	87.9	Confident	167 Å²	167	56.9 Å²	56.9	78%	0.78	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-49.3	-34.6	176.2	-65.5	172.4	-168.5	0	0	113.6	I226	I226-E228 VanDerWaalsContact C-N 3.34Å; I226-E228 PolarHBondContact O-N 3.07Å
229	F	84.4	Confident	87.9	Confident	45 Å²	45	58 Å²	58	20%	0.197	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-116.2	15.5	-176.8	-57.4	-79.5	0	0	0	113.2	I226 R227 M231 Q382 L383 A386	I226-F229 HydrophobicContact CG2-CB 4.49Å; I226-F229 HydrophobicContact CG2-CD2 3.8Å; I226-F229 PolarHBondContact O-N 3.45Å; R227-F229 PolarHBondContact O-N 3.41Å; R227-F229 VanDerWaalsContact O-N 3.08Å; F229-M231 VanDerWaalsContact C-N 3.31Å; F229-M231 HydrophobicContact CB-CE 3.67Å; F229-M231 WeakPolarHBondContact O-CE 3.3Å; F229-M231 PolarHBondContact O-N 3.29Å; F229-Q382 HydrophobicContact CE1-CB 4.32Å; F229-Q382 HydrophobicContact CZ-CB 3.9Å; F229-L383 HydrophobicContact CB-CD1 3.81Å; F229-L383 HydrophobicContact CD1-CB 3.81Å; F229-L383 HydrophobicContact CD1-CD1 4.25Å; F229-L383 HydrophobicContact CD1-CG 4.45Å; F229-L383 HydrophobicContact CD2-CD1 4.16Å; F229-L383 HydrophobicContact CE1-CB 3.87Å; F229-L383 HydrophobicContact CG-CB 4.19Å; F229-L383 HydrophobicContact CG-CD1 3.81Å; F229-L383 HydrophobicContact CG-CG 4.49Å; F229-L383 HydrophobicContact CZ-CB 4.31Å; F229-A386 HydrophobicContact CD2-CB 4.34Å; F229-A386 HydrophobicContact CE2-CB 3.87Å
230	K	85.9	Confident	87.8	Confident	153 Å²	153	59.1 Å²	59.1	67%	0.665	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.1	50.1	-177.9	-60.5	-173.2	179.7	-175	0	112.8	I226 R227 T261	I226-K230 PolarHBondContact O-N 2.84Å; R227-K230 PolarHBondContact O-N 3.45Å; K230-T261 VanDerWaalsContact C-OG1 3.28Å; K230-T261 WeakPolarHBondContact O-CB 3.4Å; K230-T261 PolarHBondContact O-N 2.9Å; K230-T261 PolarHBondContact O-OG1 3.39Å
231	M	86.7	Confident	88.1	Confident	6 Å²	6	58 Å²	58	3%	0.03	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	153.8	-179.7	-94.5	171.5	-87.7	0	0	112.8	I226 F229 V258 M259 R260 L373 M377 L383 M387	I226-M231 CarbonylContact C-O 3.54Å; I226-M231 HydrophobicContact CB-CB 4.44Å; I226-M231 PolarHBondContact N-O 3.38Å; I226-M231 PolarHBondContact O-N 3.13Å; F229-M231 VanDerWaalsContact C-N 3.31Å; F229-M231 HydrophobicContact CB-CE 3.67Å; F229-M231 WeakPolarHBondContact O-CE 3.3Å; F229-M231 PolarHBondContact O-N 3.29Å; M231-V258 HydrophobicContact CG-CG1 4.39Å; M231-V258 HydrophobicContact SD-CG1 3.88Å; M231-M259 CarbonylContact C-O 3.51Å; M231-M259 WeakPolarHBondContact CA-O 3.4Å; M231-M259 WeakPolarHBondContact CG-O 3.43Å; M231-R260 HydrophobicContact CG-CG 4.43Å; M231-L373 HydrophobicContact SD-CD2 3.66Å; M231-M377 HydrophobicContact CE-CE 3.29Å; M231-M377 HydrophobicContact CG-CE 4.48Å; M231-M377 HydrophobicContact SD-CE 3.51Å; M231-M377 VanDerWaalsContact SD-CE 3.51Å; M231-L383 HydrophobicContact CE-CD1 3.39Å; M231-L383 HydrophobicContact CE-CD2 3.63Å; M231-L383 HydrophobicContact CE-CG 4.17Å; M231-L383 HydrophobicContact SD-CD1 4.03Å; M231-M387 HydrophobicContact SD-SD 4.24Å
232	E	89	Confident	88.1	Confident	11 Å²	11	52.9 Å²	52.9	5%	0.051	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	148	167.8	-71.9	174.5	-147.8	0	0	109	K223 I224 E225 W234 M259 R369	K223-E232 HydrophobicContact CD-CG 4.2Å; K223-E232 WeakPolarHBondContact CD-OE2 3.15Å; K223-E232 VanDerWaalsContact NZ-CD 3.34Å; K223-E232 IonicContact NZ-OE1 3.1Å; K223-E232 PolarHBondContact NZ-OE1 3.34Å; K223-E232 VanDerWaalsContact NZ-OE1 3.1Å; K223-E232 IonicContact NZ-OE2 3.88Å; I224-E232 CarbonylContact O-C 3.57Å; I224-E232 WeakPolarHBondContact O-CA 3.34Å; E225-E232 HydrophobicContact CG-CG 4.34Å; E232-W234 PolarHBondContact OE2-NE1 3.5Å; E232-M259 HydrophobicContact CB-CB 4.06Å; E232-M259 PolarHBondContact N-O 2.94Å; E232-M259 PolarHBondContact O-N 3.44Å; E232-M259 VanDerWaalsContact O-O 3.09Å; E232-R369 IonicContact OE1-CZ 2.65Å; E232-R369 IonicContact OE1-NH1 2.84Å; E232-R369 PolarHBondContact OE1-NH1 2.87Å; E232-R369 IonicContact OE1-NH2 4Å; E232-R369 PolarHBondContact OE1-NH2 2.83Å; E232-R369 IonicContact OE2-NH1 3.21Å; E232-R369 IonicContact OE2-NH2 3.45Å; E232-R369 PolarHBondContact OE2-NH2 2.64Å
233	L	89.1	Confident	88.2	Confident	1 Å²	1	52.3 Å²	52.3	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	111	177.2	-177	164.2	0	0	0	107.6	I224 H256 K257 T391	I224-L233 HydrophobicContact CB-CB 4.38Å; I224-L233 HydrophobicContact CD1-CD2 4.34Å; I224-L233 PolarHBondContact N-O 2.83Å; I224-L233 PolarHBondContact O-N 3.12Å; L233-H256 HydrophobicContact CD1-CB 4.44Å; L233-H256 HydrophobicContact CD2-CB 3.79Å; L233-H256 VanDerWaalsContact CD2-CD2 3.43Å; L233-H256 WeakPolarHBondContact CD2-CD2 3.33Å; L233-H256 HydrophobicContact CG-CB 4.07Å; L233-K257 WeakPolarHBondContact CA-O 3.45Å; L233-T391 HydrophobicContact CD1-CG2 3.79Å
234	W	89.9	Confident	88.3	Confident	10 Å²	10	48.9 Å²	48.9	4%	0.038	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	119.7	179	-61	3.3	0	0	0	108.7	F218 P220 K223 E232 H256 K257 M259 L292 N297	F218-W234 HydrophobicContact CB-CB 4.35Å; F218-W234 HydrophobicContact CB-CE3 4.34Å; F218-W234 HydrophobicContact CD1-CB 4.43Å; F218-W234 WeakPolarHBondContact CD1-O 3.11Å; P220-W234 HydrophobicContact CB-CD2 4.22Å; P220-W234 HydrophobicContact CB-CE3 4.11Å; P220-W234 HydrophobicContact CB-CH2 3.93Å; P220-W234 HydrophobicContact CB-CZ2 4.06Å; P220-W234 HydrophobicContact CB-CZ3 3.97Å; P220-W234 HydrophobicContact CG-CE3 3.97Å; P220-W234 HydrophobicContact CG-CH2 4.08Å; P220-W234 HydrophobicContact CG-CZ3 3.72Å; K223-W234 HydrophobicContact CB-CG 4.46Å; E232-W234 PolarHBondContact OE2-NE1 3.5Å; W234-H256 WeakPolarHBondContact O-CA 3.43Å; W234-K257 HydrophobicContact CB-CB 4.24Å; W234-K257 PolarHBondContact N-O 3.48Å; W234-K257 PolarHBondContact O-N 2.91Å; W234-M259 HydrophobicContact CD2-CG 4.2Å; W234-M259 HydrophobicContact CG-CG 4.34Å; W234-L292 HydrophobicContact CH2-CD2 3.38Å; W234-L292 HydrophobicContact CZ2-CD2 4.03Å; W234-L292 HydrophobicContact CZ3-CD2 3.83Å; W234-N297 WeakPolarHBondContact CH2-OD1 3.3Å
235	P	90.8	Very high	88.1	Confident	29 Å²	29	48.1 Å²	48.1	19%	0.188	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	151	172.6	31.7	-34.8	0	0	0	110	F218 D219 A222	F218-P235 WeakPolarHBondContact CA-O 3.39Å; D219-P235 PolarHBondContact N-O 3.23Å; A222-P235 HydrophobicContact CB-CG 3.81Å; A222-P235 WeakPolarHBondContact O-CD 3.44Å; A222-P235 VanDerWaalsContact O-CG 3.27Å; A222-P235 WeakPolarHBondContact O-CG 3.22Å
236	G	91.8	Very high	87.9	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.1	-177.8	-179.6	0	0	0	0	0	113.9	L217 T255	L217-G236 CarbonylContact O-C 3.44Å; L217-G236 WeakPolarHBondContact O-CA 3.13Å; G236-T255 CarbonylContact C-O 3.6Å; G236-T255 PolarHBondContact N-O 2.81Å; G236-T255 PolarHBondContact O-N 3.49Å; G236-T255 VanDerWaalsContact O-O 3.08Å
237	Y	91.4	Very high	87.9	Confident	35 Å²	35	53.3 Å²	53.3	14%	0.137	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	124.3	-172.5	-53.3	-78.7	0	0	0	109.4	L210 L217 T252 E253 I254 F405	L210-Y237 HydrophobicContact CD1-CD2 4.1Å; L210-Y237 HydrophobicContact CD1-CE2 4.47Å; L217-Y237 PolarHBondContact N-O 2.81Å; L217-Y237 PolarHBondContact O-N 2.67Å; Y237-T252 HydrophobicContact CD1-CG2 3.89Å; Y237-T252 HydrophobicContact CG-CG2 4.34Å; Y237-E253 CarbonylContact C-O 3.48Å; Y237-E253 WeakPolarHBondContact CA-O 3.47Å; Y237-I254 HydrophobicContact CE1-CG1 4.49Å; Y237-F405 HydrophobicContact CD1-CB 4.21Å; Y237-F405 AromaticContact CD1-CD2 3.68Å; Y237-F405 HydrophobicContact CD1-CD2 3.68Å; Y237-F405 HydrophobicContact CD1-CE2 4.13Å; Y237-F405 AromaticContact CD1-CG 3.88Å; Y237-F405 HydrophobicContact CD1-CG 3.88Å; Y237-F405 AromaticContact CD2-CD2 3.56Å; Y237-F405 HydrophobicContact CD2-CD2 3.56Å; Y237-F405 AromaticContact CD2-CE2 3.61Å; Y237-F405 HydrophobicContact CD2-CE2 3.61Å; Y237-F405 HydrophobicContact CE1-CB 3.61Å; Y237-F405 AromaticContact CE1-CD2 3.62Å; Y237-F405 HydrophobicContact CE1-CD2 3.62Å; Y237-F405 HydrophobicContact CE1-CE2 4.48Å; Y237-F405 AromaticContact CE1-CG 3.74Å; Y237-F405 HydrophobicContact CE1-CG 3.74Å; Y237-F405 AromaticContact CE2-CD2 3.5Å; Y237-F405 HydrophobicContact CE2-CD2 3.5Å; Y237-F405 VanDerWaalsContact CE2-CD2 3.5Å; Y237-F405 HydrophobicContact CE2-CE2 4Å; Y237-F405 HydrophobicContact CE2-CG 4.43Å; Y237-F405 AromaticContact CG-CD2 3.64Å; Y237-F405 HydrophobicContact CG-CD2 3.64Å; Y237-F405 AromaticContact CG-CE2 3.68Å; Y237-F405 HydrophobicContact CG-CE2 3.68Å; Y237-F405 HydrophobicContact CG-CG 4.28Å; Y237-F405 HydrophobicContact CG-CZ 4.35Å; Y237-F405 AromaticContact CZ-CD2 3.52Å
238	E	90.9	Very high	88.3	Confident	57 Å²	57	44.2 Å²	44.2	27%	0.266	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	120.2	162	-174.8	150	169.7	0	0	107.2	N216 T252 E253 T255 N731	N216-E238 PolarHBondContact ND2-OE2 2.74Å; N216-E238 WeakPolarHBondContact OD1-CG 3.32Å; N216-E238 PolarHBondContact OD1-OE2 2.86Å; E238-T252 CarbonylContact O-C 3.51Å; E238-T252 WeakPolarHBondContact O-CA 3.21Å; E238-E253 PolarHBondContact N-O 2.85Å; E238-E253 PolarHBondContact O-N 2.87Å; E238-T255 HydrophobicContact CB-CG2 4.29Å; E238-N731 VanDerWaalsContact CD-ND2 3.35Å; E238-N731 PolarHBondContact OE1-ND2 2.92Å; E238-N731 PolarHBondContact OE1-OD1 3.49Å
239	T	89.6	Confident	88.6	Confident	28 Å²	28	36.3 Å²	36.3	17%	0.172	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	138	-173.8	58.1	0	0	0	0	110.7	M205 L217 G251 T252 F405	M205-T239 HydrophobicContact CE-CG2 4.14Å; L217-T239 HydrophobicContact CD1-CG2 4.4Å; T239-G251 WeakPolarHBondContact CA-O 3.15Å; T239-T252 HydrophobicContact CG2-CG2 4.33Å; T239-F405 HydrophobicContact CG2-CZ 4.37Å
240	S	87.5	Confident	89.1	Confident	37 Å²	37	34.3 Å²	34.3	26%	0.259	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	123.8	174.6	59.4	0	0	0	0	110.6	G251	S240-G251 PolarHBondContact N-O 3.17Å; S240-G251 PolarHBondContact O-N 2.76Å
241	I	88.5	Confident	89.4	Confident	3 Å²	3	27.1 Å²	27.1	2%	0.015	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	128.8	170.8	-175.8	167.6	0	0	0	109.8	L106 L197 N198 L201 I248 L249	L106-I241 HydrophobicContact CD2-CD1 3.79Å; L197-I241 HydrophobicContact CB-CD1 4Å; L197-I241 HydrophobicContact CB-CG1 4.11Å; L197-I241 HydrophobicContact CB-CG2 4Å; L197-I241 HydrophobicContact CD1-CG1 4.32Å; L197-I241 HydrophobicContact CD2-CD1 4.08Å; L197-I241 HydrophobicContact CG-CD1 4.44Å; N198-I241 HydrophobicContact CB-CG2 4.42Å; N198-I241 PolarHBondContact ND2-O 3.45Å; L201-I241 HydrophobicContact CB-CG2 3.94Å; L201-I241 HydrophobicContact CD2-CB 4.02Å; L201-I241 HydrophobicContact CD2-CG2 3.8Å; L201-I241 HydrophobicContact CG-CG2 4.42Å; I241-I248 HydrophobicContact CD1-CG2 3.94Å; I241-I248 HydrophobicContact CG1-CG2 3.79Å; I241-L249 WeakPolarHBondContact CA-O 3.48Å
242	R	85.4	Confident	89.6	Confident	59 Å²	59	26.9 Å²	26.9	22%	0.223	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	156.5	176.3	-67.3	-168.5	174	-116.4	-7.8	111.4	L194 H244 I248 L249 L753	L194-R242 HydrophobicContact CD2-CB 4.11Å; L194-R242 HydrophobicContact CD2-CG 4.12Å; R242-H244 PolarHBondContact O-CD2 2.92Å; R242-I248 WeakPolarHBondContact O-CA 3.31Å; R242-L249 PolarHBondContact N-O 3.16Å; R242-L249 VanDerWaalsContact N-O 3.16Å; R242-L249 PolarHBondContact O-N 2.85Å; R242-L753 HydrophobicContact CB-CD2 4.48Å
243	Q	86.9	Confident	89.8	Confident	37 Å²	37	26.9 Å²	26.9	17%	0.173	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	129.1	155.4	-176.4	63.1	38.6	0	0	108.4	C188 F193 K246 I248 P754	C188-Q243 HydrophobicContact CB-CG 4.44Å; F193-Q243 HydrophobicContact CE1-CB 4.24Å; Q243-K246 VanDerWaalsContact NE2-C 3.33Å; Q243-K246 PolarHBondContact NE2-O 3.27Å; Q243-K246 VanDerWaalsContact NE2-O 3.12Å; Q243-I248 VanDerWaalsContact OE1-CG1 3.31Å; Q243-P754 HydrophobicContact CG-CG 4.34Å
244	H	89.8	Confident	89.9	Confident	7 Å²	7	27.4 Å²	27.4	3%	0.032	13%	0.132	C	C	.	.			trans	-111	-172.7	167.3	-72.3	-95.1	0	0	0	109.9	F103 R242 K246 D247 L249 V750 I751 T752 P754	F103-H244 AromaticContact CD1-NE2 4Å; F103-H244 AromaticContact CE1-CE1 3.77Å; F103-H244 AromaticContact CE1-NE2 3.5Å; R242-H244 PolarHBondContact O-CD2 2.92Å; H244-K246 PolarHBondContact O-N 3.12Å; H244-D247 PolarHBondContact N-O 2.88Å; H244-L249 HydrophobicContact CB-CD1 4.01Å; H244-L249 HydrophobicContact CB-CG 4.18Å; H244-V750 WeakPolarHBondContact CB-O 3.42Å; H244-I751 PolarHBondContact CE1-O 2.92Å; H244-I751 VanDerWaalsContact CE1-O 3.27Å; H244-I751 VanDerWaalsContact ND1-C 3.3Å; H244-I751 PolarHBondContact ND1-O 2.76Å; H244-I751 VanDerWaalsContact ND1-O 3.16Å; H244-T752 PolarHBondContact ND1-O 3.02Å; H244-P754 VanDerWaalsContact C-CG 3.46Å; H244-P754 WeakPolarHBondContact O-CG 3.41Å
245	E	86.3	Confident	89.8	Confident	37 Å²	37	28.4 Å²	28.4	17%	0.173	14%	0.14	C	C	.	.	S	Bend	trans	-43.7	-35.8	-170.2	-62.4	-58.7	130.4	0	0	115.4	R82 K89 T752 L753 P754	R82-E245 IonicContact NH1-OE2 3.93Å; R82-E245 PolarHBondContact NH1-OE2 3.26Å; R82-E245 VanDerWaalsContact NH1-OE2 3.11Å; K89-E245 WeakPolarHBondContact CE-OE1 3.48Å; K89-E245 IonicContact NZ-OE1 3.15Å; K89-E245 PolarHBondContact NZ-OE1 2.81Å; K89-E245 IonicContact NZ-OE2 3.1Å; E245-T752 WeakPolarHBondContact CG-OG1 3.39Å; E245-T752 PolarHBondContact OE1-OG1 3.01Å; E245-L753 PolarHBondContact OE1-N 3.07Å; E245-L753 VanDerWaalsContact OE1-O 3.09Å; E245-P754 WeakPolarHBondContact OE1-CA 3.44Å
246	K	84.4	Confident	89.7	Confident	156 Å²	156	29.1 Å²	29.1	68%	0.678	14%	0.14	S	C	*	.	S	Bend	trans	-130.8	-40.2	178.1	-61	-176	179.9	-176.3	0	113.1	Q243 H244	Q243-K246 VanDerWaalsContact NE2-C 3.33Å; Q243-K246 PolarHBondContact NE2-O 3.27Å; Q243-K246 VanDerWaalsContact NE2-O 3.12Å; H244-K246 PolarHBondContact O-N 3.12Å
247	D	88	Confident	89.4	Confident	43 Å²	43	31.5 Å²	31.5	23%	0.23	15%	0.151	C	C	.	.	S	Bend	trans	-118.1	157.2	-167.2	-69.5	-72.4	0	0	0	113.4	R105 H244 L249	R105-D247 HydrophobicContact CG-CB 4.16Å; R105-D247 IonicContact CZ-OD1 3.72Å; R105-D247 IonicContact CZ-OD2 3.64Å; R105-D247 IonicContact NE-OD1 3.75Å; R105-D247 PolarHBondContact NE-OD1 2.96Å; R105-D247 IonicContact NE-OD2 2.64Å; R105-D247 PolarHBondContact NE-OD2 2.87Å; R105-D247 IonicContact NH2-OD1 3.49Å; R105-D247 PolarHBondContact NH2-OD1 3.35Å; R105-D247 IonicContact NH2-OD2 2.71Å; R105-D247 PolarHBondContact NH2-OD2 2.97Å; H244-D247 PolarHBondContact N-O 2.88Å; D247-L249 HydrophobicContact CB-CD2 3.9Å; D247-L249 PolarHBondContact O-N 3.27Å
248	I	91.4	Very high	89.2	Confident	8 Å²	8	31 Å²	31	4%	0.041	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	120.4	164.2	-58.4	171	0	0	0	107.6	L106 T108 W112 F193 L197 I241 R242 Q243 M424	L106-I248 HydrophobicContact CB-CB 4.36Å; L106-I248 HydrophobicContact CB-CG2 4.21Å; L106-I248 PolarHBondContact N-O 3.28Å; T108-I248 HydrophobicContact CG2-CD1 4.2Å; W112-I248 HydrophobicContact CE3-CD1 4.4Å; W112-I248 HydrophobicContact CH2-CD1 4.4Å; W112-I248 HydrophobicContact CZ3-CD1 3.88Å; F193-I248 HydrophobicContact CE1-CD1 4.41Å; F193-I248 HydrophobicContact CZ-CD1 4.08Å; L197-I248 HydrophobicContact CD1-CD1 4.25Å; L197-I248 HydrophobicContact CD1-CG1 4.42Å; L197-I248 HydrophobicContact CD1-CG2 4Å; L197-I248 HydrophobicContact CD2-CD1 4.21Å; L197-I248 HydrophobicContact CD2-CG2 4.47Å; I241-I248 HydrophobicContact CD1-CG2 3.94Å; I241-I248 HydrophobicContact CG1-CG2 3.79Å; R242-I248 WeakPolarHBondContact O-CA 3.31Å; Q243-I248 VanDerWaalsContact OE1-CG1 3.31Å; I248-M424 HydrophobicContact CD1-CE 3.95Å; I248-M424 HydrophobicContact CG2-CE 4.5Å
249	L	93.6	Very high	88.8	Confident	1 Å²	1	28.3 Å²	28.3	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	139.9	177.5	-50.6	-178.6	0	0	0	111.2	F103 F104 R105 I241 R242 H244 D247 T431 V750 I751	F103-L249 HydrophobicContact CB-CB 4.19Å; F103-L249 HydrophobicContact CB-CD1 4.17Å; F103-L249 HydrophobicContact CD1-CB 3.7Å; F103-L249 HydrophobicContact CD1-CD1 4.13Å; F103-L249 HydrophobicContact CG-CB 4.38Å; F103-L249 HydrophobicContact CG-CD1 4.31Å; F104-L249 WeakPolarHBondContact O-CA 3.48Å; R105-L249 HydrophobicContact CB-CD2 3.96Å; R105-L249 HydrophobicContact CG-CD2 4.22Å; I241-L249 WeakPolarHBondContact CA-O 3.48Å; R242-L249 PolarHBondContact N-O 3.16Å; R242-L249 VanDerWaalsContact N-O 3.16Å; R242-L249 PolarHBondContact O-N 2.85Å; H244-L249 HydrophobicContact CB-CD1 4.01Å; H244-L249 HydrophobicContact CB-CG 4.18Å; D247-L249 HydrophobicContact CB-CD2 3.9Å; D247-L249 PolarHBondContact O-N 3.27Å; L249-T431 HydrophobicContact CD2-CG2 4.46Å; L249-V750 HydrophobicContact CD1-CG1 4.5Å; L249-V750 WeakPolarHBondContact CD1-O 3.5Å; L249-I751 HydrophobicContact CD1-CG2 3.88Å
250	L	93.3	Very high	88.7	Confident	3 Å²	3	28 Å²	28	2%	0.016	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	99.2	167	172.2	57.7	0	0	0	109.1	F103 F104 L106 L201 M205 L409 L426	F103-L250 WeakPolarHBondContact CA-O 3.31Å; F104-L250 PolarHBondContact N-O 3.16Å; F104-L250 PolarHBondContact O-N 2.85Å; L106-L250 HydrophobicContact CD1-CB 3.49Å; L106-L250 VanDerWaalsContact CD1-CB 3.49Å; L201-L250 HydrophobicContact CD1-CD1 3.66Å; L201-L250 HydrophobicContact CD1-CD2 3.8Å; L201-L250 HydrophobicContact CD1-CG 4.34Å; L201-L250 HydrophobicContact CD2-CD1 3.65Å; L201-L250 HydrophobicContact CG-CD1 4.32Å; M205-L250 HydrophobicContact CE-CD2 4.13Å; L250-L409 HydrophobicContact CD2-CD2 4.39Å; L250-L426 HydrophobicContact CB-CD1 4.44Å; L250-L426 HydrophobicContact CD2-CD1 4.07Å; L250-L426 HydrophobicContact CD2-CD2 4.38Å
251	G	92.6	Very high	88.5	Confident	2 Å²	2	29.4 Å²	29.4	2%	0.021	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	131.3	167.2	0	0	0	0	0	110.6	T239 S240	T239-G251 WeakPolarHBondContact CA-O 3.15Å; S240-G251 PolarHBondContact N-O 3.17Å; S240-G251 PolarHBondContact O-N 2.76Å
252	T	92.4	Very high	88.4	Confident	0 Å²	0	31 Å²	31	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	127.4	174.5	-56.2	0	0	0	0	110	N102 Y237 E238 T239 F405	N102-T252 PolarHBondContact ND2-O 2.9Å; N102-T252 PolarHBondContact O-N 2.92Å; Y237-T252 HydrophobicContact CD1-CG2 3.89Å; Y237-T252 HydrophobicContact CG-CG2 4.34Å; E238-T252 CarbonylContact O-C 3.51Å; E238-T252 WeakPolarHBondContact O-CA 3.21Å; T239-T252 HydrophobicContact CG2-CG2 4.33Å; T252-F405 HydrophobicContact CG2-CD1 3.77Å; T252-F405 HydrophobicContact CG2-CE1 3.67Å; T252-F405 HydrophobicContact CG2-CG 4.43Å; T252-F405 HydrophobicContact CG2-CZ 4.25Å
253	E	92.4	Very high	88.7	Confident	11 Å²	11	29.1 Å²	29.1	5%	0.051	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	141.1	174.9	168.5	64.5	150.2	0	0	111	Y237 E238 T255 R398 M730 R733	Y237-E253 CarbonylContact C-O 3.48Å; Y237-E253 WeakPolarHBondContact CA-O 3.47Å; E238-E253 PolarHBondContact N-O 2.85Å; E238-E253 PolarHBondContact O-N 2.87Å; E253-T255 PolarHBondContact O-N 2.78Å; E253-R398 IonicContact OE1-CZ 2.76Å; E253-R398 IonicContact OE1-NH1 2.66Å; E253-R398 PolarHBondContact OE1-NH1 2.62Å; E253-R398 IonicContact OE2-CZ 3.18Å; E253-R398 IonicContact OE2-NH1 2.68Å; E253-R398 PolarHBondContact OE2-NH1 3.45Å; E253-M730 WeakPolarHBondContact CG-O 3.13Å; E253-M730 VanDerWaalsContact OE1-O 3.13Å; E253-R733 IonicContact OE1-CZ 2.77Å; E253-R733 IonicContact OE1-NE 3.04Å; E253-R733 PolarHBondContact OE1-NE 3.22Å; E253-R733 IonicContact OE1-NH2 3.19Å; E253-R733 PolarHBondContact OE1-NH2 2.84Å
254	I	90.5	Very high	88.9	Confident	12 Å²	12	27.3 Å²	27.3	6%	0.062	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	123.6	179.3	-49.2	179.6	0	0	0	109.6	Y237 M393 R398 R401 L402	Y237-I254 HydrophobicContact CE1-CG1 4.49Å; I254-M393 HydrophobicContact CB-CE 3.71Å; I254-M393 HydrophobicContact CD1-CE 4.01Å; I254-M393 HydrophobicContact CD1-SD 4.16Å; I254-M393 HydrophobicContact CG1-CE 4.43Å; I254-M393 HydrophobicContact CG2-CE 3.67Å; I254-M393 HydrophobicContact CG2-SD 4.38Å; I254-R398 HydrophobicContact CD1-CG 4.08Å; I254-R398 PolarHBondContact O-NH1 3.03Å; I254-R401 HydrophobicContact CD1-CB 3.3Å; I254-R401 HydrophobicContact CD1-CG 4.2Å; I254-L402 HydrophobicContact CD1-CD1 4.08Å; I254-L402 HydrophobicContact CG1-CD1 3.96Å
255	T	89.6	Confident	89	Confident	32 Å²	32	28.4 Å²	28.4	20%	0.196	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	162.3	-178.2	-171.7	0	0	0	0	110.4	N216 F218 G236 E238 E253	N216-T255 HydrophobicContact CB-CG2 4.11Å; F218-T255 HydrophobicContact CE1-CG2 3.73Å; F218-T255 HydrophobicContact CZ-CG2 3.87Å; G236-T255 CarbonylContact C-O 3.6Å; G236-T255 PolarHBondContact N-O 2.81Å; G236-T255 PolarHBondContact O-N 3.49Å; G236-T255 VanDerWaalsContact O-O 3.08Å; E238-T255 HydrophobicContact CB-CG2 4.29Å; E253-T255 PolarHBondContact O-N 2.78Å
256	H	87.8	Confident	89.2	Confident	43 Å²	43	29.8 Å²	29.8	20%	0.199	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	125.6	-175.4	-58.4	108.8	0	0	0	109.7	L233 W234 T391	L233-H256 HydrophobicContact CD1-CB 4.44Å; L233-H256 HydrophobicContact CD2-CB 3.79Å; L233-H256 VanDerWaalsContact CD2-CD2 3.43Å; L233-H256 WeakPolarHBondContact CD2-CD2 3.33Å; L233-H256 HydrophobicContact CG-CB 4.07Å; W234-H256 WeakPolarHBondContact O-CA 3.43Å; H256-T391 HydrophobicContact CB-CG2 4.21Å
257	K	86.3	Confident	89.4	Confident	50 Å²	50	23 Å²	23	22%	0.217	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	115.4	172.8	-164.3	78.9	177.1	-169.2	0	108.5	V213 F218 L233 W234 M259	V213-K257 HydrophobicContact CG1-CD 4.23Å; F218-K257 HydrophobicContact CD1-CB 3.79Å; F218-K257 HydrophobicContact CE1-CB 3.62Å; F218-K257 HydrophobicContact CE2-CB 4.35Å; F218-K257 HydrophobicContact CE2-CD 4.31Å; F218-K257 HydrophobicContact CG-CB 4.26Å; F218-K257 HydrophobicContact CZ-CB 3.91Å; F218-K257 HydrophobicContact CZ-CD 4.21Å; L233-K257 WeakPolarHBondContact CA-O 3.45Å; W234-K257 HydrophobicContact CB-CB 4.24Å; W234-K257 PolarHBondContact N-O 3.48Å; W234-K257 PolarHBondContact O-N 2.91Å; K257-M259 HydrophobicContact CG-CG 4.31Å; K257-M259 HydrophobicContact CG-SD 3.9Å
258	V	86.6	Confident	89.4	Confident	25 Å²	25	21.4 Å²	21.4	15%	0.152	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	122.9	171.5	-177.5	0	0	0	0	108.9	M231 G372 L373 M387	M231-V258 HydrophobicContact CG-CG1 4.39Å; M231-V258 HydrophobicContact SD-CG1 3.88Å; V258-G372 PolarHBondContact O-N 3.21Å; V258-L373 HydrophobicContact CG1-CD2 3.91Å; V258-L373 HydrophobicContact CG1-CG 4.32Å; V258-M387 HydrophobicContact CG1-SD 4.09Å; V258-M387 HydrophobicContact CG2-SD 4.25Å
259	M	82.6	Confident	89.2	Confident	1 Å²	1	28.9 Å²	28.9	1%	0.005	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	131.5	-177.7	-68.8	-54.7	-53.9	0	0	108.7	M231 E232 W234 K257 L292 R369 T371	M231-M259 CarbonylContact C-O 3.51Å; M231-M259 WeakPolarHBondContact CA-O 3.4Å; M231-M259 WeakPolarHBondContact CG-O 3.43Å; E232-M259 HydrophobicContact CB-CB 4.06Å; E232-M259 PolarHBondContact N-O 2.94Å; E232-M259 PolarHBondContact O-N 3.44Å; E232-M259 VanDerWaalsContact O-O 3.09Å; W234-M259 HydrophobicContact CD2-CG 4.2Å; W234-M259 HydrophobicContact CG-CG 4.34Å; K257-M259 HydrophobicContact CG-CG 4.31Å; K257-M259 HydrophobicContact CG-SD 3.9Å; M259-L292 HydrophobicContact CE-CB 3.53Å; M259-L292 HydrophobicContact CE-CD2 3.52Å; M259-L292 HydrophobicContact CE-CG 4.15Å; M259-L292 HydrophobicContact SD-CB 4.44Å; M259-L292 HydrophobicContact SD-CD2 4.12Å; M259-R369 HydrophobicContact CE-CB 4.26Å; M259-T371 HydrophobicContact CE-CG2 3.9Å; M259-T371 HydrophobicContact SD-CG2 3.71Å
260	R	86.2	Confident	88.7	Confident	21 Å²	21	37 Å²	37	8%	0.079	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	143.7	169.3	-55.9	-171.1	-156.1	167.5	11.9	109	M231 E262 R369 V370 G372 M377	M231-R260 HydrophobicContact CG-CG 4.43Å; R260-E262 HydrophobicContact CB-CB 4.33Å; R260-R369 PolarHBondContact O-NE 2.84Å; R260-R369 PolarHBondContact O-NH2 3.32Å; R260-V370 HydrophobicContact CB-CB 4.46Å; R260-V370 WeakPolarHBondContact CB-O 3.42Å; R260-V370 HydrophobicContact CG-CB 4.41Å; R260-V370 WeakPolarHBondContact CG-O 3.32Å; R260-V370 PolarHBondContact N-O 2.8Å; R260-G372 PolarHBondContact NE-O 2.94Å; R260-G372 PolarHBondContact NH2-O 2.93Å; R260-M377 HydrophobicContact CG-CE 4.04Å
261	T	84	Confident	88.1	Confident	66 Å²	66	37 Å²	37	41%	0.405	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	-18.6	168.3	-46.8	0	0	0	0	111.3	K230	K230-T261 VanDerWaalsContact C-OG1 3.28Å; K230-T261 WeakPolarHBondContact O-CB 3.4Å; K230-T261 PolarHBondContact O-N 2.9Å; K230-T261 PolarHBondContact O-OG1 3.39Å
262	E	86.9	Confident	87	Confident	37 Å²	37	39 Å²	39	17%	0.173	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	134.3	172.8	-166	179.9	-164	0	0	113.1	R260 D266 I267 R270 V370	R260-E262 HydrophobicContact CB-CB 4.33Å; E262-D266 HydrophobicContact CG-CB 3.49Å; E262-D266 VanDerWaalsContact CG-CB 3.49Å; E262-I267 VanDerWaalsContact CD-CG1 3.47Å; E262-I267 HydrophobicContact CG-CG1 4.1Å; E262-I267 WeakPolarHBondContact OE1-CG1 3.43Å; E262-R270 IonicContact OE1-CZ 2.95Å; E262-R270 IonicContact OE1-NE 4Å; E262-R270 PolarHBondContact OE1-NE 3.25Å; E262-R270 IonicContact OE1-NH2 2.73Å; E262-R270 PolarHBondContact OE1-NH2 2.91Å; E262-R270 IonicContact OE2-CZ 3.32Å; E262-R270 IonicContact OE2-NH2 3.16Å; E262-R270 PolarHBondContact OE2-NH2 3.32Å; E262-V370 PolarHBondContact O-N 2.92Å
263	T	90.8	Very high	86	Confident	19 Å²	19	46.6 Å²	46.6	12%	0.117	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	166.1	173.6	67.9	0	0	0	0	111.9	Y265 D266 I267 C368 R369	T263-Y265 PolarHBondContact O-N 3.34Å; T263-Y265 WeakPolarHBondContact OG1-CB 3.46Å; T263-Y265 PolarHBondContact OG1-N 3.46Å; T263-D266 WeakPolarHBondContact CB-OD2 3.41Å; T263-D266 PolarHBondContact N-OD2 3.43Å; T263-D266 PolarHBondContact O-N 3.4Å; T263-D266 PolarHBondContact OG1-N 2.93Å; T263-D266 VanDerWaalsContact OG1-N 3.16Å; T263-D266 PolarHBondContact OG1-OD2 2.91Å; T263-I267 PolarHBondContact O-N 2.95Å; T263-C368 CarbonylContact C-O 3.44Å; T263-C368 VanDerWaalsContact CA-O 3.26Å; T263-C368 WeakPolarHBondContact CA-O 3.39Å; T263-R369 HydrophobicContact CG2-CG 4.21Å
264	I	92.2	Very high	85.1	Confident	0 Å²	0	50 Å²	50	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-63	-33.9	170.2	-64.1	-65	0	0	0	111.1	D266 I267 M268 V286 L289 V291 I302 L344 P365 C368 V370	I264-D266 VanDerWaalsContact C-N 3.32Å; I264-D266 PolarHBondContact O-N 2.78Å; I264-I267 HydrophobicContact CD1-CD1 4.41Å; I264-I267 PolarHBondContact O-N 3.33Å; I264-M268 HydrophobicContact CG2-CE 4.22Å; I264-M268 HydrophobicContact CG2-CG 4.17Å; I264-M268 HydrophobicContact CG2-SD 3.85Å; I264-M268 WeakPolarHBondContact O-CG 3.18Å; I264-M268 PolarHBondContact O-N 2.92Å; I264-V286 HydrophobicContact CD1-CG1 4.19Å; I264-V286 HydrophobicContact CG2-CG1 3.8Å; I264-V286 HydrophobicContact CG2-CG2 4.03Å; I264-L289 HydrophobicContact CD1-CD1 4.01Å; I264-V291 HydrophobicContact CD1-CG1 3.6Å; I264-V291 HydrophobicContact CG1-CG1 3.49Å; I264-V291 VanDerWaalsContact CG1-CG1 3.49Å; I264-I302 HydrophobicContact CD1-CD1 3.81Å; I264-I302 HydrophobicContact CG1-CD1 3.98Å; I264-L344 HydrophobicContact CB-CD1 4.07Å; I264-L344 HydrophobicContact CG1-CD1 3.99Å; I264-L344 HydrophobicContact CG2-CD1 3.95Å; I264-L344 HydrophobicContact CG2-CD2 3.91Å; I264-P365 HydrophobicContact CB-CB 4.15Å; I264-P365 HydrophobicContact CG2-CB 4.07Å; I264-P365 PolarHBondContact N-O 3.11Å; I264-C368 HydrophobicContact CG1-CB 4.06Å; I264-C368 PolarHBondContact N-O 3.4Å; I264-V370 HydrophobicContact CD1-CG2 3.42Å; I264-V370 VanDerWaalsContact CD1-CG2 3.42Å; I264-V370 HydrophobicContact CG1-CG2 4.3Å
265	Y	92.4	Very high	84	Confident	30 Å²	30	54.8 Å²	54.8	12%	0.118	27%	0.269	C	S	.	.	H	α-helix	trans	-58.4	-43	176	-178.5	-97.8	0	0	0	112.5	T263 I267 M268 R269 D338 Q341 P365	T263-Y265 PolarHBondContact O-N 3.34Å; T263-Y265 WeakPolarHBondContact OG1-CB 3.46Å; T263-Y265 PolarHBondContact OG1-N 3.46Å; Y265-I267 PolarHBondContact O-N 2.87Å; Y265-M268 PolarHBondContact O-N 3.48Å; Y265-R269 HydrophobicContact CE1-CG 4.21Å; Y265-R269 PolarHBondContact O-N 2.94Å; Y265-R269 VanDerWaalsContact OH-CZ 3.29Å; Y265-R269 PolarHBondContact OH-NE 3.26Å; Y265-R269 PolarHBondContact OH-NH2 3.04Å; Y265-D338 HydrophobicContact CE2-CB 3.72Å; Y265-D338 WeakPolarHBondContact CE2-OD2 3.46Å; Y265-D338 VanDerWaalsContact CZ-OD2 3.26Å; Y265-D338 PolarHBondContact OH-OD2 3.42Å; Y265-Q341 HydrophobicContact CD2-CB 3.97Å; Y265-Q341 HydrophobicContact CE2-CB 3.92Å; Y265-P365 PolarHBondContact N-O 3.12Å
266	D	90.3	Very high	83.1	Confident	65 Å²	65	57.2 Å²	57.2	35%	0.348	29%	0.292	S	S	.	.	H	α-helix	trans	-64	-40.5	176.3	-58.2	-52.9	0	0	0	111.8	E262 T263 I264 R269 R270	E262-D266 HydrophobicContact CG-CB 3.49Å; E262-D266 VanDerWaalsContact CG-CB 3.49Å; T263-D266 WeakPolarHBondContact CB-OD2 3.41Å; T263-D266 PolarHBondContact N-OD2 3.43Å; T263-D266 PolarHBondContact O-N 3.4Å; T263-D266 PolarHBondContact OG1-N 2.93Å; T263-D266 VanDerWaalsContact OG1-N 3.16Å; T263-D266 PolarHBondContact OG1-OD2 2.91Å; I264-D266 VanDerWaalsContact C-N 3.32Å; I264-D266 PolarHBondContact O-N 2.78Å; D266-R269 PolarHBondContact O-N 3.49Å; D266-R270 WeakPolarHBondContact O-CG 3.18Å; D266-R270 PolarHBondContact O-N 2.83Å
267	I	87.9	Confident	82.6	Confident	13 Å²	13	63.6 Å²	63.6	7%	0.067	31%	0.314	C	S	.	.	H	α-helix	trans	-63.5	-44.8	175.9	-64.6	175	0	0	0	110.5	E262 T263 I264 Y265 R269 R270 C271 N285 V286 V370	E262-I267 VanDerWaalsContact CD-CG1 3.47Å; E262-I267 HydrophobicContact CG-CG1 4.1Å; E262-I267 WeakPolarHBondContact OE1-CG1 3.43Å; T263-I267 PolarHBondContact O-N 2.95Å; I264-I267 HydrophobicContact CD1-CD1 4.41Å; I264-I267 PolarHBondContact O-N 3.33Å; Y265-I267 PolarHBondContact O-N 2.87Å; I267-R269 PolarHBondContact O-N 3.38Å; I267-R270 PolarHBondContact O-N 3.04Å; I267-R270 VanDerWaalsContact O-N 3.07Å; I267-C271 PolarHBondContact O-N 2.98Å; I267-N285 HydrophobicContact CG2-CB 4.32Å; I267-V286 HydrophobicContact CG2-CG2 4.21Å; I267-V370 HydrophobicContact CD1-CG2 3.56Å
268	M	88.3	Confident	82.3	Confident	11 Å²	11	63.8 Å²	63.8	5%	0.054	32%	0.316	C	S	.	.	H	α-helix	trans	-59.7	-43.6	177.2	-73.7	169.7	145.2	0	0	111.9	I264 Y265 R270 C271 H278 V282 V286 V305 P342 L344 P365	I264-M268 HydrophobicContact CG2-CE 4.22Å; I264-M268 HydrophobicContact CG2-CG 4.17Å; I264-M268 HydrophobicContact CG2-SD 3.85Å; I264-M268 WeakPolarHBondContact O-CG 3.18Å; I264-M268 PolarHBondContact O-N 2.92Å; Y265-M268 PolarHBondContact O-N 3.48Å; M268-R270 PolarHBondContact O-N 2.84Å; M268-C271 PolarHBondContact O-N 2.98Å; M268-H278 PolarHBondContact O-CE1 2.9Å; M268-V282 HydrophobicContact CB-CG2 4.42Å; M268-V282 HydrophobicContact CE-CG1 3.56Å; M268-V282 HydrophobicContact CG-CG1 3.86Å; M268-V282 HydrophobicContact CG-CG2 4.22Å; M268-V286 HydrophobicContact CG-CG2 4.43Å; M268-V305 HydrophobicContact CE-CG1 3.54Å; M268-V305 HydrophobicContact CE-CG2 4.34Å; M268-P342 HydrophobicContact CE-CG 3.51Å; M268-P342 HydrophobicContact SD-CG 3.91Å; M268-L344 HydrophobicContact CE-CD2 3.9Å; M268-P365 HydrophobicContact CE-CG 4.29Å; M268-P365 HydrophobicContact SD-CB 3.81Å; M268-P365 HydrophobicContact SD-CG 3.81Å
269	R	86.2	Confident	82.1	Confident	164 Å²	164	66.5 Å²	66.5	62%	0.619	33%	0.327	S	S	*	.	H	α-helix	trans	-63.7	-21.5	174.9	-85.2	-164.5	174.7	-141.3	2.6	114.2	Y265 D266 I267 H273	Y265-R269 HydrophobicContact CE1-CG 4.21Å; Y265-R269 PolarHBondContact O-N 2.94Å; Y265-R269 VanDerWaalsContact OH-CZ 3.29Å; Y265-R269 PolarHBondContact OH-NE 3.26Å; Y265-R269 PolarHBondContact OH-NH2 3.04Å; D266-R269 PolarHBondContact O-N 3.49Å; I267-R269 PolarHBondContact O-N 3.38Å; R269-H273 PolarHBondContact O-CE1 3.04Å
270	R	83.2	Confident	82.1	Confident	171 Å²	171	71.1 Å²	71.1	65%	0.645	35%	0.352	S	S	*	.	H	α-helix	trans	-86.4	-15.7	177.5	-69.7	-169.3	-62.1	135.6	-0.2	113.8	E262 D266 I267 M268	E262-R270 IonicContact OE1-CZ 2.95Å; E262-R270 IonicContact OE1-NE 4Å; E262-R270 PolarHBondContact OE1-NE 3.25Å; E262-R270 IonicContact OE1-NH2 2.73Å; E262-R270 PolarHBondContact OE1-NH2 2.91Å; E262-R270 IonicContact OE2-CZ 3.32Å; E262-R270 IonicContact OE2-NH2 3.16Å; E262-R270 PolarHBondContact OE2-NH2 3.32Å; D266-R270 WeakPolarHBondContact O-CG 3.18Å; D266-R270 PolarHBondContact O-N 2.83Å; I267-R270 PolarHBondContact O-N 3.04Å; I267-R270 VanDerWaalsContact O-N 3.07Å; M268-R270 PolarHBondContact O-N 2.84Å
271	C	82.1	Confident	82	Confident	4 Å²	4	73.2 Å²	73.2	3%	0.027	36%	0.362	C	S	.	.	S	Bend	trans	-66.9	155.3	172	-64.7	0	0	0	0	111.1	I267 M268 H273 E281 V282	I267-C271 PolarHBondContact O-N 2.98Å; M268-C271 PolarHBondContact O-N 2.98Å; C271-H273 PolarHBondContact O-N 3.36Å; C271-H273 PolarHBondContact O-ND1 3.07Å; C271-E281 WeakPolarHBondContact CA-OE1 3.36Å; C271-E281 HydrophobicContact CB-CB 4.42Å; C271-E281 HydrophobicContact CB-CG 4.05Å; C271-V282 HydrophobicContact CB-CG2 3.83Å
272	S	69	Low	82	Confident	44 Å²	44	70.1 Å²	70.1	31%	0.308	34%	0.343	S	S	.	.			trans	-59	140.5	-177.8	71.2	0	0	0	0	111.8	N274 H278 E281	S272-N274 PolarHBondContact O-N 3.43Å; S272-H278 WeakPolarHBondContact O-CB 3.4Å; S272-H278 PolarHBondContact O-ND1 2.77Å; S272-E281 WeakPolarHBondContact CB-OE2 3.34Å; S272-E281 VanDerWaalsContact N-CD 3.33Å; S272-E281 PolarHBondContact N-OE1 3.02Å; S272-E281 PolarHBondContact N-OE2 3.17Å; S272-E281 PolarHBondContact OG-OE2 3.06Å
273	H	70.9	Confident	81.9	Confident	159 Å²	159	71.5 Å²	71.5	74%	0.736	35%	0.347	S	S	*	.			trans	-80.4	9.6	-178.9	-70.3	44.1	0	0	0	113.1	R269 C271 P275	R269-H273 PolarHBondContact O-CE1 3.04Å; C271-H273 PolarHBondContact O-N 3.36Å; C271-H273 PolarHBondContact O-ND1 3.07Å; H273-P275 VanDerWaalsContact O-CD 3.3Å; H273-P275 WeakPolarHBondContact O-CD 3.29Å
274	N	74	Confident	81.5	Confident	82 Å²	82	76.4 Å²	76.4	44%	0.439	38%	0.376	S	S	.	.			trans	-75.6	114	177.7	-178.8	-25.7	0	0	0	109.4	S272 A276 R277 H278	S272-N274 PolarHBondContact O-N 3.43Å; N274-A276 PolarHBondContact O-N 3.48Å; N274-A276 VanDerWaalsContact O-N 3.09Å; N274-A276 PolarHBondContact OD1-N 3.37Å; N274-R277 PolarHBondContact O-N 3.2Å; N274-H278 WeakPolarHBondContact O-CB 3.4Å; N274-H278 PolarHBondContact O-N 3.04Å
275	P	66.3	Low	81	Confident	114 Å²	114	80.2 Å²	80.2	74%	0.74	40%	0.397	S	S	*	.	H	α-helix	trans	-56.8	-33.4	-172.3	-26.1	35.5	0	0	0	114.1	H273 R277	H273-P275 VanDerWaalsContact O-CD 3.3Å; H273-P275 WeakPolarHBondContact O-CD 3.29Å; P275-R277 VanDerWaalsContact C-N 3.27Å; P275-R277 PolarHBondContact O-N 3.49Å
276	A	70.8	Confident	80.8	Confident	83 Å²	83	78.8 Å²	78.8	69%	0.686	39%	0.391	S	S	*	.	H	α-helix	trans	-75.1	-10.3	-179.1	0	0	0	0	0	114.3	N274	N274-A276 PolarHBondContact O-N 3.48Å; N274-A276 VanDerWaalsContact O-N 3.09Å; N274-A276 PolarHBondContact OD1-N 3.37Å
277	R	76.9	Confident	80.6	Confident	177 Å²	177	78.4 Å²	78.4	67%	0.668	39%	0.389	S	S	*	.	H	α-helix	trans	-124.8	-22.4	177.9	-67.6	-173.5	178.2	180	0.5	113.7	N274 P275 Q279 D280 E281	N274-R277 PolarHBondContact O-N 3.2Å; P275-R277 VanDerWaalsContact C-N 3.27Å; P275-R277 PolarHBondContact O-N 3.49Å; R277-Q279 PolarHBondContact O-N 3.39Å; R277-D280 PolarHBondContact O-N 2.96Å; R277-E281 WeakPolarHBondContact O-CB 3.29Å; R277-E281 PolarHBondContact O-N 3.31Å
278	H	80.1	Confident	80.3	Confident	53 Å²	53	80.5 Å²	80.5	25%	0.245	40%	0.4	C	S	.	.	H	α-helix	trans	-54.5	-49.9	-174.2	-176.5	76.2	0	0	0	112.7	M268 S272 N274 D280 E281 V282	M268-H278 PolarHBondContact O-CE1 2.9Å; S272-H278 WeakPolarHBondContact O-CB 3.4Å; S272-H278 PolarHBondContact O-ND1 2.77Å; N274-H278 WeakPolarHBondContact O-CB 3.4Å; N274-H278 PolarHBondContact O-N 3.04Å; H278-D280 PolarHBondContact O-N 3.21Å; H278-E281 PolarHBondContact O-N 2.83Å; H278-V282 WeakPolarHBondContact O-CB 3.46Å; H278-V282 VanDerWaalsContact O-CG2 3.25Å; H278-V282 WeakPolarHBondContact O-CG2 3.47Å; H278-V282 PolarHBondContact O-N 3.17Å
279	Q	83.5	Confident	80.2	Confident	82 Å²	82	81.9 Å²	81.9	38%	0.383	41%	0.408	S	S	.	.	H	α-helix	trans	-63.5	-40.6	-178	-62.3	-166.8	8.2	0	0	112.7	R277 R283 F307	R277-Q279 PolarHBondContact O-N 3.39Å; Q279-R283 WeakPolarHBondContact O-CB 3.32Å; Q279-R283 VanDerWaalsContact O-CG 3.29Å; Q279-R283 WeakPolarHBondContact O-CG 3.39Å; Q279-R283 PolarHBondContact O-N 2.97Å; Q279-F307 HydrophobicContact CB-CD2 4.46Å; Q279-F307 HydrophobicContact CB-CE1 4.28Å; Q279-F307 HydrophobicContact CB-CE2 3.97Å; Q279-F307 HydrophobicContact CB-CZ 3.87Å; Q279-F307 HydrophobicContact CG-CD1 3.99Å; Q279-F307 HydrophobicContact CG-CD2 4.2Å; Q279-F307 HydrophobicContact CG-CE1 3.93Å; Q279-F307 HydrophobicContact CG-CE2 4.14Å; Q279-F307 HydrophobicContact CG-CG 4.12Å; Q279-F307 HydrophobicContact CG-CZ 4Å
280	D	82.1	Confident	80.2	Confident	99 Å²	99	78 Å²	78	53%	0.529	40%	0.398	S	S	.	.	H	α-helix	trans	-72.6	-40	-179.5	-70.1	-17.5	0	0	0	111.5	R277 H278 R283 V284	R277-D280 PolarHBondContact O-N 2.96Å; H278-D280 PolarHBondContact O-N 3.21Å; D280-R283 PolarHBondContact O-N 3.2Å; D280-R283 IonicContact OD1-NH1 3.69Å; D280-V284 WeakPolarHBondContact O-CB 3.37Å; D280-V284 VanDerWaalsContact O-CG2 3.27Å; D280-V284 WeakPolarHBondContact O-CG2 3.48Å; D280-V284 PolarHBondContact O-N 2.93Å
281	E	83.5	Confident	80.5	Confident	65 Å²	65	69.8 Å²	69.8	30%	0.304	37%	0.367	S	S	.	.	H	α-helix	trans	-62.9	-42.9	173.8	-170.3	-177.1	167.1	0	0	111.5	C271 S272 R277 H278 V284 N285	C271-E281 WeakPolarHBondContact CA-OE1 3.36Å; C271-E281 HydrophobicContact CB-CB 4.42Å; C271-E281 HydrophobicContact CB-CG 4.05Å; S272-E281 WeakPolarHBondContact CB-OE2 3.34Å; S272-E281 VanDerWaalsContact N-CD 3.33Å; S272-E281 PolarHBondContact N-OE1 3.02Å; S272-E281 PolarHBondContact N-OE2 3.17Å; S272-E281 PolarHBondContact OG-OE2 3.06Å; R277-E281 WeakPolarHBondContact O-CB 3.29Å; R277-E281 PolarHBondContact O-N 3.31Å; H278-E281 PolarHBondContact O-N 2.83Å; E281-V284 PolarHBondContact O-N 3.07Å; E281-N285 WeakPolarHBondContact O-CB 3.43Å; E281-N285 PolarHBondContact O-N 2.94Å; E281-N285 PolarHBondContact O-ND2 3.21Å
282	V	85.3	Confident	80.7	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-60.6	-49.2	172.6	164.6	0	0	0	0	110.5	M268 C271 H278 V284 N285 V286 F307	M268-V282 HydrophobicContact CB-CG2 4.42Å; M268-V282 HydrophobicContact CE-CG1 3.56Å; M268-V282 HydrophobicContact CG-CG1 3.86Å; M268-V282 HydrophobicContact CG-CG2 4.22Å; C271-V282 HydrophobicContact CB-CG2 3.83Å; H278-V282 WeakPolarHBondContact O-CB 3.46Å; H278-V282 VanDerWaalsContact O-CG2 3.25Å; H278-V282 WeakPolarHBondContact O-CG2 3.47Å; H278-V282 PolarHBondContact O-N 3.17Å; V282-V284 PolarHBondContact O-N 3.31Å; V282-N285 PolarHBondContact O-N 2.82Å; V282-V286 HydrophobicContact CG1-CG2 4.21Å; V282-V286 WeakPolarHBondContact O-CB 3.27Å; V282-V286 VanDerWaalsContact O-CG2 3.32Å; V282-V286 WeakPolarHBondContact O-CG2 3.26Å; V282-V286 PolarHBondContact O-N 3.19Å; V282-F307 HydrophobicContact CB-CZ 4.12Å; V282-F307 HydrophobicContact CG1-CE1 4.29Å; V282-F307 HydrophobicContact CG1-CZ 3.78Å
283	R	84.6	Confident	81.7	Confident	66 Å²	66	67.5 Å²	67.5	25%	0.249	35%	0.351	C	S	.	.	H	α-helix	trans	-58.1	-45.9	177	-77.3	176	-178.2	113.1	6.9	111.6	Q279 D280 N285 V286 L287 F307	Q279-R283 WeakPolarHBondContact O-CB 3.32Å; Q279-R283 VanDerWaalsContact O-CG 3.29Å; Q279-R283 WeakPolarHBondContact O-CG 3.39Å; Q279-R283 PolarHBondContact O-N 2.97Å; D280-R283 PolarHBondContact O-N 3.2Å; D280-R283 IonicContact OD1-NH1 3.69Å; R283-N285 VanDerWaalsContact C-N 3.31Å; R283-N285 PolarHBondContact O-N 3.25Å; R283-V286 PolarHBondContact O-N 2.91Å; R283-L287 HydrophobicContact CB-CD1 3.84Å; R283-L287 HydrophobicContact CB-CG 4.19Å; R283-L287 HydrophobicContact CG-CD1 4.19Å; R283-L287 VanDerWaalsContact O-CB 3.23Å; R283-L287 WeakPolarHBondContact O-CB 3.24Å; R283-L287 WeakPolarHBondContact O-CG 3.45Å; R283-L287 PolarHBondContact O-N 2.98Å; R283-F307 HydrophobicContact CG-CE2 4.38Å; R283-F307 VanDerWaalsContact NH2-CD2 3.34Å
284	V	81.8	Confident	82.1	Confident	122 Å²	122	63.3 Å²	63.3	74%	0.739	33%	0.334	S	S	*	.	H	α-helix	trans	-60.8	-38.4	178.4	167.6	0	0	0	0	112.2	D280 E281 V282	D280-V284 WeakPolarHBondContact O-CB 3.37Å; D280-V284 VanDerWaalsContact O-CG2 3.27Å; D280-V284 WeakPolarHBondContact O-CG2 3.48Å; D280-V284 PolarHBondContact O-N 2.93Å; E281-V284 PolarHBondContact O-N 3.07Å; V282-V284 PolarHBondContact O-N 3.31Å
285	N	82.8	Confident	82.6	Confident	80 Å²	80	61.1 Å²	61.1	43%	0.428	32%	0.32	S	S	.	.	H	α-helix	trans	-82.7	-28.8	-178.9	-76.8	-68.1	0	0	0	114.4	I267 E281 V282 R283 L289	I267-N285 HydrophobicContact CG2-CB 4.32Å; E281-N285 WeakPolarHBondContact O-CB 3.43Å; E281-N285 PolarHBondContact O-N 2.94Å; E281-N285 PolarHBondContact O-ND2 3.21Å; V282-N285 PolarHBondContact O-N 2.82Å; R283-N285 VanDerWaalsContact C-N 3.31Å; R283-N285 PolarHBondContact O-N 3.25Å; N285-L289 WeakPolarHBondContact O-CD1 3.4Å
286	V	87.4	Confident	83.3	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-104	-32.8	-168.7	173.6	0	0	0	0	113.5	I264 I267 M268 V282 R283 L289 I302 V305 L344	I264-V286 HydrophobicContact CD1-CG1 4.19Å; I264-V286 HydrophobicContact CG2-CG1 3.8Å; I264-V286 HydrophobicContact CG2-CG2 4.03Å; I267-V286 HydrophobicContact CG2-CG2 4.21Å; M268-V286 HydrophobicContact CG-CG2 4.43Å; V282-V286 HydrophobicContact CG1-CG2 4.21Å; V282-V286 WeakPolarHBondContact O-CB 3.27Å; V282-V286 VanDerWaalsContact O-CG2 3.32Å; V282-V286 WeakPolarHBondContact O-CG2 3.26Å; V282-V286 PolarHBondContact O-N 3.19Å; R283-V286 PolarHBondContact O-N 2.91Å; V286-L289 WeakPolarHBondContact O-CB 3.33Å; V286-L289 WeakPolarHBondContact O-CG 3.29Å; V286-L289 PolarHBondContact O-N 3.35Å; V286-I302 HydrophobicContact CG1-CD1 3.45Å; V286-I302 VanDerWaalsContact CG1-CD1 3.45Å; V286-I302 HydrophobicContact CG1-CG2 4.16Å; V286-V305 HydrophobicContact CG1-CG2 4.06Å; V286-L344 HydrophobicContact CG1-CD2 4.12Å
287	L	86.5	Confident	83.7	Confident	58 Å²	58	54.6 Å²	54.6	30%	0.304	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	148.5	-177.9	-64.1	179.9	0	0	0	112.1	R283 L289 I302 D304 V305	R283-L287 HydrophobicContact CB-CD1 3.84Å; R283-L287 HydrophobicContact CB-CG 4.19Å; R283-L287 HydrophobicContact CG-CD1 4.19Å; R283-L287 VanDerWaalsContact O-CB 3.23Å; R283-L287 WeakPolarHBondContact O-CB 3.24Å; R283-L287 WeakPolarHBondContact O-CG 3.45Å; R283-L287 PolarHBondContact O-N 2.98Å; L287-L289 PolarHBondContact O-N 2.94Å; L287-L289 VanDerWaalsContact O-N 3.07Å; L287-I302 HydrophobicContact CD2-CG2 4.14Å; L287-D304 VanDerWaalsContact CD2-CA 3.48Å; L287-V305 HydrophobicContact CD2-CG2 4.26Å
288	D	81.2	Confident	83.9	Confident	57 Å²	57	53.6 Å²	53.6	31%	0.305	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.4	-2.6	-172.7	-79.4	-20.9	0	0	0	116.5	R301 I302 R622	D288-R301 IonicContact OD1-CZ 2.64Å; D288-R301 IonicContact OD1-NE 2.75Å; D288-R301 PolarHBondContact OD1-NE 3.17Å; D288-R301 IonicContact OD1-NH2 2.71Å; D288-R301 PolarHBondContact OD1-NH2 2.92Å; D288-R301 IonicContact OD2-NH2 2.82Å; D288-R301 PolarHBondContact OD2-NH2 2.92Å; D288-I302 PolarHBondContact N-O 3.4Å; D288-R622 IonicContact OD2-CZ 2.97Å; D288-R622 IonicContact OD2-NH1 2.69Å; D288-R622 PolarHBondContact OD2-NH1 3.22Å
289	L	85.5	Confident	84.1	Confident	40 Å²	40	53.4 Å²	53.4	21%	0.209	27%	0.266	C	S	.	.			trans	-63.7	143.3	168.8	-65.2	-173.2	0	0	0	110.7	I264 N285 V286 L287 R301 I302 V370	I264-L289 HydrophobicContact CD1-CD1 4.01Å; N285-L289 WeakPolarHBondContact O-CD1 3.4Å; V286-L289 WeakPolarHBondContact O-CB 3.33Å; V286-L289 WeakPolarHBondContact O-CG 3.29Å; V286-L289 PolarHBondContact O-N 3.35Å; L287-L289 PolarHBondContact O-N 2.94Å; L287-L289 VanDerWaalsContact O-N 3.07Å; L289-R301 WeakPolarHBondContact O-CA 3.35Å; L289-I302 PolarHBondContact O-N 3.47Å; L289-V370 HydrophobicContact CD1-CG1 4.13Å; L289-V370 HydrophobicContact CD1-CG2 3.98Å
290	I	86.1	Confident	84.2	Confident	81 Å²	81	51.3 Å²	51.3	42%	0.415	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	115.7	168.6	-60.6	173.4	0	0	0	107.4	T299 Y300 R301 T371	I290-T299 HydrophobicContact CG2-CG2 4.21Å; I290-Y300 CarbonylContact C-O 3.59Å; I290-Y300 VanDerWaalsContact CA-O 3.31Å; I290-Y300 WeakPolarHBondContact CA-O 3.44Å; I290-R301 HydrophobicContact CG1-CB 4.44Å; I290-T371 WeakPolarHBondContact O-CB 3.41Å; I290-T371 WeakPolarHBondContact O-CG2 3.23Å; I290-T371 PolarHBondContact O-N 3.47Å; I290-T371 PolarHBondContact O-OG1 2.71Å
291	V	89.3	Confident	84.5	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	153.4	175	-67.7	0	0	0	0	111.2	I264 T299 Y300 I302 L363 C368 R369 V370	I264-V291 HydrophobicContact CD1-CG1 3.6Å; I264-V291 HydrophobicContact CG1-CG1 3.49Å; I264-V291 VanDerWaalsContact CG1-CG1 3.49Å; V291-T299 CarbonylContact O-C 3.28Å; V291-T299 WeakPolarHBondContact O-CA 3.33Å; V291-Y300 PolarHBondContact N-O 2.68Å; V291-Y300 PolarHBondContact O-N 2.76Å; V291-I302 HydrophobicContact CG1-CD1 3.75Å; V291-I302 HydrophobicContact CG1-CG1 4.33Å; V291-I302 HydrophobicContact CG2-CD1 4.4Å; V291-I302 HydrophobicContact CG2-CG1 4.19Å; V291-L363 HydrophobicContact CG2-CD1 4.37Å; V291-C368 HydrophobicContact CB-CB 3.98Å; V291-C368 HydrophobicContact CG1-CB 4.13Å; V291-C368 HydrophobicContact CG2-CB 4.12Å; V291-R369 CarbonylContact C-O 3.25Å; V291-R369 WeakPolarHBondContact CA-O 3.35Å; V291-V370 HydrophobicContact CG1-CG2 4.49Å
292	L	87.8	Confident	84.8	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	142.5	164.8	-169.7	80.3	0	0	0	108.7	V213 W234 M259 N297 R298 T299 C368 R369 T371	V213-L292 HydrophobicContact CG1-CD1 4.49Å; W234-L292 HydrophobicContact CH2-CD2 3.38Å; W234-L292 HydrophobicContact CZ2-CD2 4.03Å; W234-L292 HydrophobicContact CZ3-CD2 3.83Å; M259-L292 HydrophobicContact CE-CB 3.53Å; M259-L292 HydrophobicContact CE-CD2 3.52Å; M259-L292 HydrophobicContact CE-CG 4.15Å; M259-L292 HydrophobicContact SD-CB 4.44Å; M259-L292 HydrophobicContact SD-CD2 4.12Å; L292-N297 WeakPolarHBondContact CD1-O 3.36Å; L292-R298 WeakPolarHBondContact CA-O 3.42Å; L292-T299 HydrophobicContact CB-CG2 4.44Å; L292-T299 HydrophobicContact CD1-CG2 3.54Å; L292-C368 WeakPolarHBondContact O-CA 3.5Å; L292-R369 PolarHBondContact N-O 2.76Å; L292-R369 PolarHBondContact O-N 3.19Å; L292-T371 HydrophobicContact CB-CG2 3.98Å
293	T	89.2	Confident	84.9	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	109.8	168.6	43.5	0	0	0	0	110.5	Y295 N296 N297 R298 Y300 L363	T293-Y295 VanDerWaalsContact CB-CE1 3.4Å; T293-Y295 VanDerWaalsContact CB-CZ 3.49Å; T293-Y295 HydrophobicContact CG2-CE1 3.63Å; T293-Y295 WeakPolarHBondContact CG2-OH 3.5Å; T293-Y295 PolarHBondContact O-N 3.33Å; T293-Y295 VanDerWaalsContact O-N 3.09Å; T293-N296 PolarHBondContact O-N 2.86Å; T293-N296 VanDerWaalsContact O-N 3.14Å; T293-N296 PolarHBondContact O-OD1 3.2Å; T293-N296 VanDerWaalsContact O-OD1 3.14Å; T293-N296 PolarHBondContact OG1-OD1 3.5Å; T293-N297 PolarHBondContact O-N 3.29Å; T293-R298 PolarHBondContact N-O 3.45Å; T293-R298 PolarHBondContact OG1-O 3.42Å; T293-Y300 HydrophobicContact CG2-CD2 4.27Å; T293-Y300 HydrophobicContact CG2-CE2 4.26Å; T293-Y300 WeakPolarHBondContact OG1-CE2 3.46Å; T293-L363 HydrophobicContact CG2-CD2 4.27Å
294	D	79.4	Confident	85.2	Confident	70 Å²	70	51.7 Å²	51.7	37%	0.374	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-25.3	-170.3	-72	4.4	0	0	0	113.7	N296 R369	D294-N296 VanDerWaalsContact C-N 3.28Å; D294-N296 PolarHBondContact O-N 2.97Å; D294-R369 WeakPolarHBondContact OD1-CD 3.24Å; D294-R369 WeakPolarHBondContact OD2-CD 3.4Å; D294-R369 IonicContact OD2-CZ 2.84Å; D294-R369 IonicContact OD2-NE 3.48Å; D294-R369 IonicContact OD2-NH1 3.31Å; D294-R369 PolarHBondContact OD2-NH1 3.42Å; D294-R369 VanDerWaalsContact OD2-NH1 3.15Å
295	Y	83.6	Confident	85.6	Confident	36 Å²	36	46 Å²	46	14%	0.141	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-8.4	-179.1	61.1	-101.1	0	0	0	115	T293 Y328 Y332 I334 L367	T293-Y295 VanDerWaalsContact CB-CE1 3.4Å; T293-Y295 VanDerWaalsContact CB-CZ 3.49Å; T293-Y295 HydrophobicContact CG2-CE1 3.63Å; T293-Y295 WeakPolarHBondContact CG2-OH 3.5Å; T293-Y295 PolarHBondContact O-N 3.33Å; T293-Y295 VanDerWaalsContact O-N 3.09Å; Y295-Y328 HydrophobicContact CD1-CE1 4.38Å; Y295-Y328 HydrophobicContact CD2-CE1 4.46Å; Y295-Y328 HydrophobicContact CE1-CD1 4.36Å; Y295-Y328 AromaticContact CE1-CE1 3.71Å; Y295-Y328 HydrophobicContact CE1-CE1 3.71Å; Y295-Y328 AromaticContact CE2-CE1 3.8Å; Y295-Y328 HydrophobicContact CE2-CE1 3.8Å; Y295-Y328 AromaticContact CZ-CE1 3.41Å; Y295-Y328 VanDerWaalsContact CZ-CE1 3.41Å; Y295-Y328 WeakPolarHBondContact OH-CE1 3.23Å; Y295-Y328 PolarHBondContact OH-OH 3.39Å; Y295-Y328 VanDerWaalsContact OH-OH 3.13Å; Y295-Y332 AromaticContact CD2-CD1 3.8Å; Y295-Y332 HydrophobicContact CD2-CD1 3.8Å; Y295-Y332 AromaticContact CD2-CD2 3.88Å; Y295-Y332 HydrophobicContact CD2-CD2 3.88Å; Y295-Y332 AromaticContact CD2-CE1 3.63Å; Y295-Y332 HydrophobicContact CD2-CE1 3.63Å; Y295-Y332 AromaticContact CD2-CE2 3.69Å; Y295-Y332 HydrophobicContact CD2-CE2 3.69Å; Y295-Y332 AromaticContact CD2-CG 3.92Å; Y295-Y332 HydrophobicContact CD2-CG 3.92Å; Y295-Y332 AromaticContact CD2-CZ 3.55Å; Y295-Y332 HydrophobicContact CE2-CD2 4.3Å; Y295-Y332 HydrophobicContact CE2-CE1 4.3Å; Y295-Y332 AromaticContact CE2-CE2 3.77Å; Y295-Y332 HydrophobicContact CE2-CE2 3.77Å; Y295-Y332 AromaticContact CE2-CZ 3.77Å; Y295-Y332 HydrophobicContact CG-CD1 4.36Å; Y295-Y332 HydrophobicContact CG-CD2 4.45Å; Y295-Y332 HydrophobicContact CG-CG 4.29Å; Y295-I334 HydrophobicContact CD1-CD1 4.35Å; Y295-I334 HydrophobicContact CG-CD1 4.2Å; Y295-L367 HydrophobicContact CD1-CB 4.14Å; Y295-L367 HydrophobicContact CD1-CD1 4.33Å; Y295-L367 HydrophobicContact CE1-CB 3.88Å; Y295-L367 HydrophobicContact CE1-CD1 4.2Å
296	N	82.7	Confident	86.1	Confident	33 Å²	33	44 Å²	44	18%	0.176	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-150.7	5	178	70.2	12.1	0	0	0	114.5	T293 D294 R298 Y332	T293-N296 PolarHBondContact O-N 2.86Å; T293-N296 VanDerWaalsContact O-N 3.14Å; T293-N296 PolarHBondContact O-OD1 3.2Å; T293-N296 VanDerWaalsContact O-OD1 3.14Å; T293-N296 PolarHBondContact OG1-OD1 3.5Å; D294-N296 VanDerWaalsContact C-N 3.28Å; D294-N296 PolarHBondContact O-N 2.97Å; N296-R298 HydrophobicContact CB-CG 4.45Å; N296-R298 PolarHBondContact O-N 2.94Å; N296-R298 VanDerWaalsContact O-N 3.09Å; N296-R298 VanDerWaalsContact OD1-CB 3.27Å; N296-R298 WeakPolarHBondContact OD1-CB 3.29Å; N296-R298 WeakPolarHBondContact OD1-CG 3.35Å; N296-R298 PolarHBondContact OD1-N 3.26Å; N296-Y332 HydrophobicContact CB-CE1 4.4Å
297	N	77.8	Confident	86.2	Confident	27 Å²	27	46.6 Å²	46.6	14%	0.144	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	26.2	-179.2	-61.2	-48.1	0	0	0	115.5	E211 W234 L292 T293	E211-N297 HydrophobicContact CB-CB 4.26Å; E211-N297 VanDerWaalsContact CD-ND2 3.27Å; E211-N297 HydrophobicContact CG-CB 3.9Å; E211-N297 WeakPolarHBondContact CG-ND2 2.98Å; E211-N297 PolarHBondContact OE1-ND2 2.81Å; W234-N297 WeakPolarHBondContact CH2-OD1 3.3Å; L292-N297 WeakPolarHBondContact CD1-O 3.36Å; T293-N297 PolarHBondContact O-N 3.29Å
298	R	82.1	Confident	86.4	Confident	157 Å²	157	47.3 Å²	47.3	59%	0.592	24%	0.242	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-92.8	142.5	176.9	-64.1	-175.7	179.4	-165.4	-2.6	112	L292 T293 N296 Y300	L292-R298 WeakPolarHBondContact CA-O 3.42Å; T293-R298 PolarHBondContact N-O 3.45Å; T293-R298 PolarHBondContact OG1-O 3.42Å; N296-R298 HydrophobicContact CB-CG 4.45Å; N296-R298 PolarHBondContact O-N 2.94Å; N296-R298 VanDerWaalsContact O-N 3.09Å; N296-R298 VanDerWaalsContact OD1-CB 3.27Å; N296-R298 WeakPolarHBondContact OD1-CB 3.29Å; N296-R298 WeakPolarHBondContact OD1-CG 3.35Å; N296-R298 PolarHBondContact OD1-N 3.26Å; R298-Y300 HydrophobicContact CB-CD2 4.42Å; R298-Y300 HydrophobicContact CB-CE2 3.58Å; R298-Y300 WeakPolarHBondContact CD-OH 3.44Å
299	T	83.4	Confident	87	Confident	48 Å²	48	47.6 Å²	47.6	29%	0.294	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	138.2	173.7	53.5	0	0	0	0	112.7	V213 I290 V291 L292 T371	V213-T299 HydrophobicContact CG1-CG2 3.65Å; I290-T299 HydrophobicContact CG2-CG2 4.21Å; V291-T299 CarbonylContact O-C 3.28Å; V291-T299 WeakPolarHBondContact O-CA 3.33Å; L292-T299 HydrophobicContact CB-CG2 4.44Å; L292-T299 HydrophobicContact CD1-CG2 3.54Å; T299-T371 HydrophobicContact CG2-CG2 4.37Å
300	Y	86.8	Confident	87.5	Confident	39 Å²	39	47.5 Å²	47.5	15%	0.153	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	145.8	178.7	-60.7	-87.6	0	0	0	109.9	I290 V291 T293 R298 V361 L363	I290-Y300 CarbonylContact C-O 3.59Å; I290-Y300 VanDerWaalsContact CA-O 3.31Å; I290-Y300 WeakPolarHBondContact CA-O 3.44Å; V291-Y300 PolarHBondContact N-O 2.68Å; V291-Y300 PolarHBondContact O-N 2.76Å; T293-Y300 HydrophobicContact CG2-CD2 4.27Å; T293-Y300 HydrophobicContact CG2-CE2 4.26Å; T293-Y300 WeakPolarHBondContact OG1-CE2 3.46Å; R298-Y300 HydrophobicContact CB-CD2 4.42Å; R298-Y300 HydrophobicContact CB-CE2 3.58Å; R298-Y300 WeakPolarHBondContact CD-OH 3.44Å; Y300-V361 HydrophobicContact CD1-CB 4.46Å; Y300-V361 HydrophobicContact CD1-CG1 4.2Å; Y300-V361 HydrophobicContact CE1-CB 4.29Å; Y300-V361 HydrophobicContact CE1-CG1 3.78Å; Y300-V361 HydrophobicContact CE1-CG2 4.22Å; Y300-L363 HydrophobicContact CD1-CD1 4.27Å; Y300-L363 HydrophobicContact CD2-CD1 3.69Å; Y300-L363 HydrophobicContact CD2-CD2 4.23Å; Y300-L363 HydrophobicContact CE2-CD1 4.43Å; Y300-L363 HydrophobicContact CE2-CD2 4.16Å; Y300-L363 HydrophobicContact CG-CD1 3.59Å
301	R	87.6	Confident	87.9	Confident	129 Å²	129	43.7 Å²	43.7	49%	0.487	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	125.8	170.9	179.5	177	175.7	169.3	-0.7	108	D288 L289 I290 N303 S346	D288-R301 IonicContact OD1-CZ 2.64Å; D288-R301 IonicContact OD1-NE 2.75Å; D288-R301 PolarHBondContact OD1-NE 3.17Å; D288-R301 IonicContact OD1-NH2 2.71Å; D288-R301 PolarHBondContact OD1-NH2 2.92Å; D288-R301 IonicContact OD2-NH2 2.82Å; D288-R301 PolarHBondContact OD2-NH2 2.92Å; L289-R301 WeakPolarHBondContact O-CA 3.35Å; I290-R301 HydrophobicContact CG1-CB 4.44Å; R301-N303 PolarHBondContact O-N 2.91Å; R301-N303 PolarHBondContact O-OD1 3.22Å; R301-S346 WeakPolarHBondContact O-CB 3.19Å
302	I	89.8	Confident	88.2	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.005	25%	0.25	C	C	.	.			trans	-74.7	122.9	178.5	-52.3	172.1	0	0	0	108.3	I264 V286 L287 D288 L289 V291 D304 V305 L344	I264-I302 HydrophobicContact CD1-CD1 3.81Å; I264-I302 HydrophobicContact CG1-CD1 3.98Å; V286-I302 HydrophobicContact CG1-CD1 3.45Å; V286-I302 VanDerWaalsContact CG1-CD1 3.45Å; V286-I302 HydrophobicContact CG1-CG2 4.16Å; L287-I302 HydrophobicContact CD2-CG2 4.14Å; D288-I302 PolarHBondContact N-O 3.4Å; L289-I302 PolarHBondContact O-N 3.47Å; V291-I302 HydrophobicContact CG1-CD1 3.75Å; V291-I302 HydrophobicContact CG1-CG1 4.33Å; V291-I302 HydrophobicContact CG2-CD1 4.4Å; V291-I302 HydrophobicContact CG2-CG1 4.19Å; I302-D304 WeakPolarHBondContact CG2-O 3.38Å; I302-V305 HydrophobicContact CG2-CG2 4.39Å; I302-L344 HydrophobicContact CD1-CD1 3.82Å; I302-L344 HydrophobicContact CD1-CD2 4.29Å; I302-L344 HydrophobicContact CD1-CG 4.5Å; I302-L344 HydrophobicContact CG1-CD1 4.4Å; I302-L344 HydrophobicContact CG2-CB 4.38Å; I302-L344 HydrophobicContact CG2-CD2 4.41Å
303	N	87.9	Confident	88.5	Confident	50 Å²	50	51.3 Å²	51.3	27%	0.267	26%	0.26	S	S	.	.			trans	-107.9	-26.1	179.4	-65	119.4	0	0	0	112.9	R301 I345 K347	R301-N303 PolarHBondContact O-N 2.91Å; R301-N303 PolarHBondContact O-OD1 3.22Å; N303-I345 PolarHBondContact N-O 3.34Å; N303-K347 HydrophobicContact CB-CB 4.48Å; N303-K347 PolarHBondContact OD1-N 2.91Å; N303-K347 PolarHBondContact OD1-O 2.99Å
304	D	89.8	Confident	88.7	Confident	58 Å²	58	55.5 Å²	55.5	31%	0.31	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	167.5	172.8	-140.5	-29.4	0	0	0	111.2	L287 I302 I345	L287-D304 VanDerWaalsContact CD2-CA 3.48Å; I302-D304 WeakPolarHBondContact CG2-O 3.38Å; D304-I345 HydrophobicContact CB-CB 3.94Å; D304-I345 HydrophobicContact CB-CD1 4.36Å; D304-I345 HydrophobicContact CB-CG2 4.46Å; D304-I345 PolarHBondContact N-O 3.35Å; D304-I345 VanDerWaalsContact N-O 3.13Å; D304-I345 PolarHBondContact O-N 3.06Å
305	V	91.6	Very high	89.2	Confident	3 Å²	3	55 Å²	55	2%	0.018	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	118.3	169.6	-178	0	0	0	0	108.1	M268 V286 L287 I302 F307 P342 L344	M268-V305 HydrophobicContact CE-CG1 3.54Å; M268-V305 HydrophobicContact CE-CG2 4.34Å; V286-V305 HydrophobicContact CG1-CG2 4.06Å; L287-V305 HydrophobicContact CD2-CG2 4.26Å; I302-V305 HydrophobicContact CG2-CG2 4.39Å; V305-F307 HydrophobicContact CB-CD2 4.46Å; V305-F307 HydrophobicContact CB-CE2 3.81Å; V305-F307 HydrophobicContact CB-CZ 4.19Å; V305-F307 HydrophobicContact CG1-CD2 4.07Å; V305-F307 HydrophobicContact CG1-CE1 4.15Å; V305-F307 HydrophobicContact CG1-CE2 3.57Å; V305-F307 HydrophobicContact CG1-CZ 3.63Å; V305-F307 WeakPolarHBondContact O-CD2 3.3Å; V305-P342 HydrophobicContact CG1-CB 4.04Å; V305-P342 HydrophobicContact CG1-CG 4.22Å; V305-L344 HydrophobicContact CG1-CD2 4.42Å; V305-L344 HydrophobicContact CG2-CD2 3.98Å
306	D	92.1	Very high	89.3	Confident	38 Å²	38	57 Å²	57	20%	0.203	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	113	178.1	-168.9	-22.3	0	0	0	109.6	G308 Q309 P342 L343 I345	D306-G308 WeakPolarHBondContact OD1-CA 3.12Å; D306-G308 PolarHBondContact OD1-N 2.8Å; D306-Q309 PolarHBondContact OD1-N 2.83Å; D306-Q309 VanDerWaalsContact OD1-N 3.13Å; D306-Q309 PolarHBondContact OD2-NE2 3.09Å; D306-P342 WeakPolarHBondContact O-CA 3.45Å; D306-P342 WeakPolarHBondContact O-CB 3.41Å; D306-L343 PolarHBondContact N-O 3.13Å; D306-L343 PolarHBondContact O-N 3.46Å; D306-I345 HydrophobicContact CB-CD1 3.94Å; D306-I345 HydrophobicContact CB-CG1 4.28Å
307	F	90.1	Very high	89.1	Confident	54 Å²	54	57.5 Å²	57.5	24%	0.237	31%	0.305	C	S	.	.	S	Bend	trans	-95.3	-4.6	177.6	-62	-94.8	0	0	0	112.9	Q279 V282 R283 V305 P342	Q279-F307 HydrophobicContact CB-CD2 4.46Å; Q279-F307 HydrophobicContact CB-CE1 4.28Å; Q279-F307 HydrophobicContact CB-CE2 3.97Å; Q279-F307 HydrophobicContact CB-CZ 3.87Å; Q279-F307 HydrophobicContact CG-CD1 3.99Å; Q279-F307 HydrophobicContact CG-CD2 4.2Å; Q279-F307 HydrophobicContact CG-CE1 3.93Å; Q279-F307 HydrophobicContact CG-CE2 4.14Å; Q279-F307 HydrophobicContact CG-CG 4.12Å; Q279-F307 HydrophobicContact CG-CZ 4Å; V282-F307 HydrophobicContact CB-CZ 4.12Å; V282-F307 HydrophobicContact CG1-CE1 4.29Å; V282-F307 HydrophobicContact CG1-CZ 3.78Å; R283-F307 HydrophobicContact CG-CE2 4.38Å; R283-F307 VanDerWaalsContact NH2-CD2 3.34Å; V305-F307 HydrophobicContact CB-CD2 4.46Å; V305-F307 HydrophobicContact CB-CE2 3.81Å; V305-F307 HydrophobicContact CB-CZ 4.19Å; V305-F307 HydrophobicContact CG1-CD2 4.07Å; V305-F307 HydrophobicContact CG1-CE1 4.15Å; V305-F307 HydrophobicContact CG1-CE2 3.57Å; V305-F307 HydrophobicContact CG1-CZ 3.63Å; V305-F307 WeakPolarHBondContact O-CD2 3.3Å; F307-P342 HydrophobicContact CD1-CB 3.84Å; F307-P342 HydrophobicContact CD1-CG 4.15Å; F307-P342 HydrophobicContact CE1-CB 4.3Å; F307-P342 HydrophobicContact CE1-CG 4.19Å; F307-P342 HydrophobicContact CG-CB 4.24Å
308	G	90.9	Very high	88.9	Confident	72 Å²	72	66.2 Å²	66.2	74%	0.742	34%	0.341	S	S	*	.	S	Bend	trans	-89.4	-23.1	175.5	0	0	0	0	0	113.2	D306	D306-G308 WeakPolarHBondContact OD1-CA 3.12Å; D306-G308 PolarHBondContact OD1-N 2.8Å
309	Q	93.4	Very high	88.8	Confident	63 Å²	63	62.1 Å²	62.1	29%	0.294	35%	0.349	S	S	.	.			trans	-101.3	155.9	174.2	-66.3	-174	74	0	0	112.8	D306 L343	D306-Q309 PolarHBondContact OD1-N 2.83Å; D306-Q309 VanDerWaalsContact OD1-N 3.13Å; D306-Q309 PolarHBondContact OD2-NE2 3.09Å; Q309-L343 HydrophobicContact CB-CD1 3.55Å; Q309-L343 HydrophobicContact CB-CG 4.06Å
310	T	95.3	Very high	88.9	Confident	39 Å²	39	69.7 Å²	69.7	24%	0.239	37%	0.372	C	S	.	.			trans	-137.7	170.7	-178.8	63.7	0	0	0	0	110.4	K312 S313 H339	T310-K312 PolarHBondContact O-N 2.99Å; T310-K312 PolarHBondContact OG1-N 3.44Å; T310-S313 PolarHBondContact N-OG 2.98Å; T310-S313 VanDerWaalsContact N-OG 3.08Å; T310-S313 WeakPolarHBondContact O-CB 3.49Å; T310-S313 PolarHBondContact O-N 3.16Å; T310-S313 PolarHBondContact O-OG 2.92Å; T310-H339 WeakPolarHBondContact CB-O 3.19Å
311	P	96.1	Very high	89.1	Confident	0 Å²	0	73.4 Å²	73.4	0%	0	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-22.1	171.7	-31.1	36	0	0	0	115.7	S313 F324 V325 I336 Q341 L343 I364	P311-S313 VanDerWaalsContact C-N 3.34Å; P311-F324 WeakPolarHBondContact O-CB 3.39Å; P311-F324 PolarHBondContact O-N 3.27Å; P311-V325 HydrophobicContact CB-CG2 3.84Å; P311-V325 PolarHBondContact O-N 2.7Å; P311-I336 HydrophobicContact CB-CD1 3.95Å; P311-I336 HydrophobicContact CB-CG2 4.11Å; P311-I336 HydrophobicContact CG-CG2 3.99Å; P311-Q341 WeakPolarHBondContact CD-O 3.42Å; P311-Q341 HydrophobicContact CG-CG 3.73Å; P311-L343 HydrophobicContact CG-CD2 4.46Å; P311-I364 HydrophobicContact CB-CD1 4.33Å; P311-I364 HydrophobicContact CG-CD1 4.1Å
312	K	95.3	Very high	89.4	Confident	131 Å²	131	69 Å²	69	57%	0.57	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-18.1	174.6	-69.4	174.5	171.2	172.3	0	113.4	T310 H339	T310-K312 PolarHBondContact O-N 2.99Å; T310-K312 PolarHBondContact OG1-N 3.44Å; K312-H339 HydrophobicContact CD-CB 4.31Å; K312-H339 HydrophobicContact CG-CB 4.29Å
313	S	94.5	Very high	89.6	Confident	30 Å²	30	69.6 Å²	69.6	21%	0.21	38%	0.384	C	S	.	.			trans	-62.4	149.2	174.7	-58.1	0	0	0	0	110.9	T310 P311 S323 F324	T310-S313 PolarHBondContact N-OG 2.98Å; T310-S313 VanDerWaalsContact N-OG 3.08Å; T310-S313 WeakPolarHBondContact O-CB 3.49Å; T310-S313 PolarHBondContact O-N 3.16Å; T310-S313 PolarHBondContact O-OG 2.92Å; P311-S313 VanDerWaalsContact C-N 3.34Å; S313-S323 WeakPolarHBondContact O-CA 3.49Å; S313-F324 WeakPolarHBondContact O-CD2 3.46Å; S313-F324 PolarHBondContact O-N 3.4Å
314	T	92	Very high	90	Very high	87 Å²	87	67.6 Å²	67.6	53%	0.534	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	156.5	-177.9	53.1	0	0	0	0	112.1	I322	T314-I322 CarbonylContact C-O 3.51Å; T314-I322 VanDerWaalsContact CA-O 3.3Å; T314-I322 WeakPolarHBondContact CA-O 3.46Å
315	F	90.1	Very high	90.2	Very high	59 Å²	59	66.5 Å²	66.5	26%	0.259	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	152.3	170.6	73.4	-78.2	0	0	0	110.7	C317 I322 F324 Y327	F315-C317 HydrophobicContact CD2-CB 4.43Å; F315-C317 HydrophobicContact CE2-CB 3.87Å; F315-C317 HydrophobicContact CZ-CB 4.42Å; F315-I322 HydrophobicContact CD1-CG2 4.39Å; F315-I322 WeakPolarHBondContact CD1-O 3.36Å; F315-I322 HydrophobicContact CE1-CG2 3.92Å; F315-I322 HydrophobicContact CZ-CG2 4.02Å; F315-I322 PolarHBondContact N-O 2.73Å; F315-I322 PolarHBondContact O-N 2.84Å; F315-I322 VanDerWaalsContact O-N 3.1Å; F315-F324 HydrophobicContact CB-CZ 4.32Å; F315-F324 AromaticContact CD1-CD1 3.78Å; F315-F324 HydrophobicContact CD1-CD1 3.78Å; F315-F324 AromaticContact CD1-CE1 3.54Å; F315-F324 HydrophobicContact CD1-CE1 3.54Å; F315-F324 HydrophobicContact CD1-CE2 4.41Å; F315-F324 HydrophobicContact CD1-CG 4.32Å; F315-F324 AromaticContact CD1-CZ 3.88Å; F315-F324 HydrophobicContact CD1-CZ 3.88Å; F315-F324 AromaticContact CE1-CD1 3.75Å; F315-F324 HydrophobicContact CE1-CD1 3.75Å; F315-F324 AromaticContact CE1-CE1 3.87Å; F315-F324 HydrophobicContact CE1-CE1 3.87Å; F315-F324 HydrophobicContact CE1-CG 4.43Å; F315-F324 HydrophobicContact CG-CE1 4.16Å; F315-F324 HydrophobicContact CG-CZ 4.31Å; F315-Y327 HydrophobicContact CE1-CD1 4.27Å; F315-Y327 HydrophobicContact CE1-CD2 4.44Å; F315-Y327 AromaticContact CE1-CG 3.96Å; F315-Y327 HydrophobicContact CE1-CG 3.96Å; F315-Y327 AromaticContact CZ-CD1 3.96Å; F315-Y327 HydrophobicContact CZ-CD1 3.96Å; F315-Y327 AromaticContact CZ-CD2 3.7Å; F315-Y327 HydrophobicContact CZ-CD2 3.7Å; F315-Y327 HydrophobicContact CZ-CE1 4.33Å; F315-Y327 HydrophobicContact CZ-CE2 4.09Å; F315-Y327 AromaticContact CZ-CG 3.61Å; F315-Y327 HydrophobicContact CZ-CG 3.61Å
316	S	86.5	Confident	90.4	Very high	78 Å²	78	71.2 Å²	71.2	55%	0.545	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	122.8	-178.9	-150	0	0	0	0	112.1	D321	S316-D321 WeakPolarHBondContact CA-OD1 3.34Å; S316-D321 WeakPolarHBondContact CB-OD1 3.25Å; S316-D321 PolarHBondContact OG-OD1 2.83Å
317	C	77.8	Confident	90.5	Very high	44 Å²	44	71.2 Å²	71.2	30%	0.297	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	105.1	180	179.9	0	0	0	0	110	F315 G319 R320 I322	F315-C317 HydrophobicContact CD2-CB 4.43Å; F315-C317 HydrophobicContact CE2-CB 3.87Å; F315-C317 HydrophobicContact CZ-CB 4.42Å; C317-G319 VanDerWaalsContact C-N 3.3Å; C317-G319 PolarHBondContact O-N 3.06Å; C317-R320 PolarHBondContact N-O 3.05Å; C317-R320 PolarHBondContact O-N 2.86Å; C317-I322 HydrophobicContact CB-CG2 3.99Å
318	K	74.7	Confident	90.7	Very high	210 Å²	210	69 Å²	69	91%	0.913	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	38.3	-177.1	-55.3	179.2	177.2	179	0	113.8
319	G	79.3	Confident	90.9	Very high	72 Å²	72	68.7 Å²	68.7	74%	0.742	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.1	15.6	179.4	0	0	0	0	0	114.8	C317	C317-G319 VanDerWaalsContact C-N 3.3Å; C317-G319 PolarHBondContact O-N 3.06Å
320	R	85.9	Confident	90.8	Very high	206 Å²	206	71.2 Å²	71.2	78%	0.777	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.2	132.9	165.8	-64.7	-174.5	-177.8	-174.3	-1	109.1	C317	C317-R320 PolarHBondContact N-O 3.05Å; C317-R320 PolarHBondContact O-N 2.86Å
321	D	89.8	Confident	90.6	Very high	117 Å²	117	75 Å²	75	63%	0.626	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.7	133.5	173.3	-63.8	-15	0	0	0	109.3	S316	S316-D321 WeakPolarHBondContact CA-OD1 3.34Å; S316-D321 WeakPolarHBondContact CB-OD1 3.25Å; S316-D321 PolarHBondContact OG-OD1 2.83Å
322	I	94.4	Very high	90.4	Very high	37 Å²	37	78 Å²	78	19%	0.19	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	142.8	-174.5	-171.4	167.8	0	0	0	109	T314 F315 C317 E326	T314-I322 CarbonylContact C-O 3.51Å; T314-I322 VanDerWaalsContact CA-O 3.3Å; T314-I322 WeakPolarHBondContact CA-O 3.46Å; F315-I322 HydrophobicContact CD1-CG2 4.39Å; F315-I322 WeakPolarHBondContact CD1-O 3.36Å; F315-I322 HydrophobicContact CE1-CG2 3.92Å; F315-I322 HydrophobicContact CZ-CG2 4.02Å; F315-I322 PolarHBondContact N-O 2.73Å; F315-I322 PolarHBondContact O-N 2.84Å; F315-I322 VanDerWaalsContact O-N 3.1Å; C317-I322 HydrophobicContact CB-CG2 3.99Å; I322-E326 HydrophobicContact CD1-CB 3.98Å; I322-E326 HydrophobicContact CG1-CB 3.63Å
323	S	94.9	Very high	90.4	Very high	13 Å²	13	78.2 Å²	78.2	9%	0.091	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	158.3	173.9	66.4	0	0	0	0	111.3	S313 V325 E326 Y327	S313-S323 WeakPolarHBondContact O-CA 3.49Å; S323-V325 VanDerWaalsContact C-N 3.29Å; S323-V325 PolarHBondContact O-N 3.13Å; S323-E326 WeakPolarHBondContact CB-OE2 3.44Å; S323-E326 PolarHBondContact N-OE2 2.9Å; S323-E326 PolarHBondContact O-N 3.49Å; S323-E326 WeakPolarHBondContact OG-CB 3.27Å; S323-E326 WeakPolarHBondContact OG-CG 3.4Å; S323-E326 PolarHBondContact OG-N 3.32Å; S323-E326 VanDerWaalsContact OG-N 3.12Å; S323-E326 PolarHBondContact OG-OE2 3.45Å; S323-Y327 WeakPolarHBondContact O-CB 3.37Å; S323-Y327 PolarHBondContact O-N 3.1Å
324	F	94.7	Very high	90.4	Very high	8 Å²	8	78.9 Å²	78.9	4%	0.035	41%	0.412	C	S	.	.	H	α-helix	trans	-61.5	-40.2	172.5	-64.4	-77.7	0	0	0	111.4	P311 S313 F315 E326 Y327 Y328 L343 V362 I364	P311-F324 WeakPolarHBondContact O-CB 3.39Å; P311-F324 PolarHBondContact O-N 3.27Å; S313-F324 WeakPolarHBondContact O-CD2 3.46Å; S313-F324 PolarHBondContact O-N 3.4Å; F315-F324 HydrophobicContact CB-CZ 4.32Å; F315-F324 AromaticContact CD1-CD1 3.78Å; F315-F324 HydrophobicContact CD1-CD1 3.78Å; F315-F324 AromaticContact CD1-CE1 3.54Å; F315-F324 HydrophobicContact CD1-CE1 3.54Å; F315-F324 HydrophobicContact CD1-CE2 4.41Å; F315-F324 HydrophobicContact CD1-CG 4.32Å; F315-F324 AromaticContact CD1-CZ 3.88Å; F315-F324 HydrophobicContact CD1-CZ 3.88Å; F315-F324 AromaticContact CE1-CD1 3.75Å; F315-F324 HydrophobicContact CE1-CD1 3.75Å; F315-F324 AromaticContact CE1-CE1 3.87Å; F315-F324 HydrophobicContact CE1-CE1 3.87Å; F315-F324 HydrophobicContact CE1-CG 4.43Å; F315-F324 HydrophobicContact CG-CE1 4.16Å; F315-F324 HydrophobicContact CG-CZ 4.31Å; F324-E326 PolarHBondContact O-N 2.86Å; F324-Y327 PolarHBondContact O-N 3.01Å; F324-Y328 HydrophobicContact CB-CD2 4.27Å; F324-Y328 HydrophobicContact CB-CE2 4.32Å; F324-Y328 HydrophobicContact CD1-CE2 4.25Å; F324-Y328 WeakPolarHBondContact O-CD2 3.49Å; F324-Y328 PolarHBondContact O-N 3.03Å; F324-L343 HydrophobicContact CD2-CD1 3.85Å; F324-L343 HydrophobicContact CE2-CD1 3.4Å; F324-L343 HydrophobicContact CZ-CD1 3.97Å; F324-V362 HydrophobicContact CE1-CB 3.89Å; F324-V362 HydrophobicContact CE1-CG1 3.99Å; F324-V362 HydrophobicContact CE2-CG1 4.35Å; F324-V362 HydrophobicContact CZ-CB 3.81Å; F324-V362 HydrophobicContact CZ-CG1 3.64Å; F324-V362 HydrophobicContact CZ-CG2 4.39Å; F324-I364 HydrophobicContact CB-CD1 3.89Å; F324-I364 HydrophobicContact CG-CD1 4.18Å
325	V	95.6	Very high	90.5	Very high	35 Å²	35	84.5 Å²	84.5	21%	0.212	42%	0.423	C	S	.	.	H	α-helix	trans	-55.2	-52.8	176.1	175.2	0	0	0	0	111.6	P311 S323 L329 I336	P311-V325 HydrophobicContact CB-CG2 3.84Å; P311-V325 PolarHBondContact O-N 2.7Å; S323-V325 VanDerWaalsContact C-N 3.29Å; S323-V325 PolarHBondContact O-N 3.13Å; V325-L329 WeakPolarHBondContact O-CB 3.32Å; V325-L329 PolarHBondContact O-N 2.92Å; V325-I336 HydrophobicContact CG2-CB 4.47Å; V325-I336 HydrophobicContact CG2-CD1 4.13Å
326	E	94.3	Very high	90.8	Very high	102 Å²	102	82.1 Å²	82.1	48%	0.477	41%	0.413	S	S	.	.	H	α-helix	trans	-64.2	-43.4	179	-70.2	157.3	156.4	0	0	111.7	I322 S323 F324 Y328 L329 T330	I322-E326 HydrophobicContact CD1-CB 3.98Å; I322-E326 HydrophobicContact CG1-CB 3.63Å; S323-E326 WeakPolarHBondContact CB-OE2 3.44Å; S323-E326 PolarHBondContact N-OE2 2.9Å; S323-E326 PolarHBondContact O-N 3.49Å; S323-E326 WeakPolarHBondContact OG-CB 3.27Å; S323-E326 WeakPolarHBondContact OG-CG 3.4Å; S323-E326 PolarHBondContact OG-N 3.32Å; S323-E326 VanDerWaalsContact OG-N 3.12Å; S323-E326 PolarHBondContact OG-OE2 3.45Å; F324-E326 PolarHBondContact O-N 2.86Å; E326-Y328 PolarHBondContact O-N 2.94Å; E326-L329 PolarHBondContact O-N 3.07Å; E326-T330 WeakPolarHBondContact O-CB 3.39Å; E326-T330 PolarHBondContact O-N 3.05Å; E326-T330 PolarHBondContact O-OG1 2.98Å
327	Y	94.4	Very high	91.1	Very high	39 Å²	39	87.9 Å²	87.9	15%	0.153	42%	0.423	C	S	.	.	H	α-helix	trans	-60.6	-45.8	179.3	169.5	-99.1	0	0	0	112.6	F315 S323 F324 K331 Y332	F315-Y327 HydrophobicContact CE1-CD1 4.27Å; F315-Y327 HydrophobicContact CE1-CD2 4.44Å; F315-Y327 AromaticContact CE1-CG 3.96Å; F315-Y327 HydrophobicContact CE1-CG 3.96Å; F315-Y327 AromaticContact CZ-CD1 3.96Å; F315-Y327 HydrophobicContact CZ-CD1 3.96Å; F315-Y327 AromaticContact CZ-CD2 3.7Å; F315-Y327 HydrophobicContact CZ-CD2 3.7Å; F315-Y327 HydrophobicContact CZ-CE1 4.33Å; F315-Y327 HydrophobicContact CZ-CE2 4.09Å; F315-Y327 AromaticContact CZ-CG 3.61Å; F315-Y327 HydrophobicContact CZ-CG 3.61Å; S323-Y327 WeakPolarHBondContact O-CB 3.37Å; S323-Y327 PolarHBondContact O-N 3.1Å; F324-Y327 PolarHBondContact O-N 3.01Å; Y327-K331 HydrophobicContact CD2-CD 4.3Å; Y327-K331 HydrophobicContact CE1-CD 4.44Å; Y327-K331 HydrophobicContact CE2-CD 3.47Å; Y327-K331 VanDerWaalsContact CE2-CD 3.47Å; Y327-K331 WeakPolarHBondContact O-CB 3.4Å; Y327-K331 PolarHBondContact O-N 2.88Å; Y327-K331 PolarHBondContact OH-NZ 2.92Å; Y327-Y332 HydrophobicContact CE1-CE2 4.05Å
328	Y	95	Very high	91.9	Very high	6 Å²	6	87.6 Å²	87.6	2%	0.024	42%	0.418	C	S	.	.	H	α-helix	trans	-69.6	-34.5	178.9	-77.7	-68.3	0	0	0	112.3	Y295 F324 E326 Y332 N333 I334 I336 I364 L367	Y295-Y328 HydrophobicContact CD1-CE1 4.38Å; Y295-Y328 HydrophobicContact CD2-CE1 4.46Å; Y295-Y328 HydrophobicContact CE1-CD1 4.36Å; Y295-Y328 AromaticContact CE1-CE1 3.71Å; Y295-Y328 HydrophobicContact CE1-CE1 3.71Å; Y295-Y328 AromaticContact CE2-CE1 3.8Å; Y295-Y328 HydrophobicContact CE2-CE1 3.8Å; Y295-Y328 AromaticContact CZ-CE1 3.41Å; Y295-Y328 VanDerWaalsContact CZ-CE1 3.41Å; Y295-Y328 WeakPolarHBondContact OH-CE1 3.23Å; Y295-Y328 PolarHBondContact OH-OH 3.39Å; Y295-Y328 VanDerWaalsContact OH-OH 3.13Å; F324-Y328 HydrophobicContact CB-CD2 4.27Å; F324-Y328 HydrophobicContact CB-CE2 4.32Å; F324-Y328 HydrophobicContact CD1-CE2 4.25Å; F324-Y328 WeakPolarHBondContact O-CD2 3.49Å; F324-Y328 PolarHBondContact O-N 3.03Å; E326-Y328 PolarHBondContact O-N 2.94Å; Y328-Y332 AromaticContact CD1-CD2 3.74Å; Y328-Y332 HydrophobicContact CD1-CD2 3.74Å; Y328-Y332 HydrophobicContact CD1-CE2 4.14Å; Y328-Y332 HydrophobicContact CE1-CD2 4.2Å; Y328-Y332 HydrophobicContact CE1-CE2 4.15Å; Y328-Y332 PolarHBondContact O-N 2.83Å; Y328-Y332 VanDerWaalsContact O-N 3.12Å; Y328-N333 PolarHBondContact O-N 2.84Å; Y328-I334 CarbonylContact C-O 3.44Å; Y328-I334 PolarHBondContact O-N 2.95Å; Y328-I336 HydrophobicContact CD2-CD1 4Å; Y328-I364 HydrophobicContact CD2-CG1 3.89Å; Y328-I364 HydrophobicContact CE2-CD1 4.21Å; Y328-I364 HydrophobicContact CE2-CG1 3.5Å; Y328-I364 VanDerWaalsContact CE2-CG1 3.5Å; Y328-L367 HydrophobicContact CD1-CD1 3.78Å; Y328-L367 HydrophobicContact CD2-CD1 4.27Å; Y328-L367 HydrophobicContact CE1-CD1 4.11Å; Y328-L367 HydrophobicContact CG-CD1 3.9Å
329	L	94.5	Very high	92.9	Very high	66 Å²	66	81 Å²	81	35%	0.346	39%	0.391	S	S	.	.	H	α-helix	trans	-68.3	-53.7	174	-174.4	60.5	0	0	0	111.7	V325 E326 K331 N333 I334 R335	V325-L329 WeakPolarHBondContact O-CB 3.32Å; V325-L329 PolarHBondContact O-N 2.92Å; E326-L329 PolarHBondContact O-N 3.07Å; L329-K331 PolarHBondContact O-N 2.82Å; L329-N333 WeakPolarHBondContact O-CA 3.37Å; L329-N333 PolarHBondContact O-N 3.04Å; L329-I334 WeakPolarHBondContact CA-O 3.45Å; L329-I334 PolarHBondContact N-O 3.37Å; L329-R335 HydrophobicContact CD1-CG 3.92Å
330	T	92.5	Very high	93.5	Very high	117 Å²	117	83.6 Å²	83.6	72%	0.718	39%	0.388	S	S	*	.	H	α-helix	trans	-65.4	-37.7	-177.2	-56.1	0	0	0	0	112.8	E326	E326-T330 WeakPolarHBondContact O-CB 3.39Å; E326-T330 PolarHBondContact O-N 3.05Å; E326-T330 PolarHBondContact O-OG1 2.98Å
331	K	91.5	Very high	93.8	Very high	117 Å²	117	74 Å²	74	51%	0.509	35%	0.351	S	S	.	.	H	α-helix	trans	-92.4	-31.5	-171.8	-171.6	173.1	175.4	-179.7	0	114.6	Y327 L329	Y327-K331 HydrophobicContact CD2-CD 4.3Å; Y327-K331 HydrophobicContact CE1-CD 4.44Å; Y327-K331 HydrophobicContact CE2-CD 3.47Å; Y327-K331 VanDerWaalsContact CE2-CD 3.47Å; Y327-K331 WeakPolarHBondContact O-CB 3.4Å; Y327-K331 PolarHBondContact O-N 2.88Å; Y327-K331 PolarHBondContact OH-NZ 2.92Å; L329-K331 PolarHBondContact O-N 2.82Å
332	Y	91.6	Very high	94.1	Very high	63 Å²	63	69.6 Å²	69.6	25%	0.247	33%	0.329	C	S	.	.	H	α-helix	trans	-126.3	-2	-173.8	-56.9	-74.5	0	0	0	113.3	Y295 N296 Y327 Y328 I334	Y295-Y332 AromaticContact CD2-CD1 3.8Å; Y295-Y332 HydrophobicContact CD2-CD1 3.8Å; Y295-Y332 AromaticContact CD2-CD2 3.88Å; Y295-Y332 HydrophobicContact CD2-CD2 3.88Å; Y295-Y332 AromaticContact CD2-CE1 3.63Å; Y295-Y332 HydrophobicContact CD2-CE1 3.63Å; Y295-Y332 AromaticContact CD2-CE2 3.69Å; Y295-Y332 HydrophobicContact CD2-CE2 3.69Å; Y295-Y332 AromaticContact CD2-CG 3.92Å; Y295-Y332 HydrophobicContact CD2-CG 3.92Å; Y295-Y332 AromaticContact CD2-CZ 3.55Å; Y295-Y332 HydrophobicContact CE2-CD2 4.3Å; Y295-Y332 HydrophobicContact CE2-CE1 4.3Å; Y295-Y332 AromaticContact CE2-CE2 3.77Å; Y295-Y332 HydrophobicContact CE2-CE2 3.77Å; Y295-Y332 AromaticContact CE2-CZ 3.77Å; Y295-Y332 HydrophobicContact CG-CD1 4.36Å; Y295-Y332 HydrophobicContact CG-CD2 4.45Å; Y295-Y332 HydrophobicContact CG-CG 4.29Å; N296-Y332 HydrophobicContact CB-CE1 4.4Å; Y327-Y332 HydrophobicContact CE1-CE2 4.05Å; Y328-Y332 AromaticContact CD1-CD2 3.74Å; Y328-Y332 HydrophobicContact CD1-CD2 3.74Å; Y328-Y332 HydrophobicContact CD1-CE2 4.14Å; Y328-Y332 HydrophobicContact CE1-CD2 4.2Å; Y328-Y332 HydrophobicContact CE1-CE2 4.15Å; Y328-Y332 PolarHBondContact O-N 2.83Å; Y328-Y332 VanDerWaalsContact O-N 3.12Å; Y332-I334 VanDerWaalsContact C-N 3.28Å; Y332-I334 PolarHBondContact O-N 3.45Å
333	N	94.1	Very high	94.1	Very high	136 Å²	136	67.8 Å²	67.8	73%	0.727	32%	0.32	S	S	*	.			trans	56.3	38.4	-173.6	-161.2	22.8	0	0	0	113.6	Y328 L329	Y328-N333 PolarHBondContact O-N 2.84Å; L329-N333 WeakPolarHBondContact O-CA 3.37Å; L329-N333 PolarHBondContact O-N 3.04Å
334	I	94.1	Very high	94	Very high	45 Å²	45	67.2 Å²	67.2	23%	0.231	32%	0.316	C	S	.	.			trans	-111.9	127.1	-178.2	-68.5	171.3	0	0	0	110.2	Y295 Y328 L329 Y332 L367	Y295-I334 HydrophobicContact CD1-CD1 4.35Å; Y295-I334 HydrophobicContact CG-CD1 4.2Å; Y328-I334 CarbonylContact C-O 3.44Å; Y328-I334 PolarHBondContact O-N 2.95Å; L329-I334 WeakPolarHBondContact CA-O 3.45Å; L329-I334 PolarHBondContact N-O 3.37Å; Y332-I334 VanDerWaalsContact C-N 3.28Å; Y332-I334 PolarHBondContact O-N 3.45Å; I334-L367 HydrophobicContact CG2-CD1 4.03Å; I334-L367 HydrophobicContact CG2-CD2 3.65Å
335	R	95	Very high	93.9	Very high	205 Å²	205	67.7 Å²	67.7	77%	0.774	32%	0.319	S	S	*	.			trans	-92	125.5	171.6	-62.8	-178.5	-177	-151.7	0.4	109.5	L329	L329-R335 HydrophobicContact CD1-CG 3.92Å
336	I	95.6	Very high	93.6	Very high	9 Å²	9	66.4 Å²	66.4	5%	0.046	31%	0.312	C	S	.	.			trans	-78.6	135.7	170.2	-58.6	174.8	0	0	0	107.6	P311 V325 Y328 D338 I364 E366 L367	P311-I336 HydrophobicContact CB-CD1 3.95Å; P311-I336 HydrophobicContact CB-CG2 4.11Å; P311-I336 HydrophobicContact CG-CG2 3.99Å; V325-I336 HydrophobicContact CG2-CB 4.47Å; V325-I336 HydrophobicContact CG2-CD1 4.13Å; Y328-I336 HydrophobicContact CD2-CD1 4Å; I336-D338 WeakPolarHBondContact CG2-O 3.34Å; I336-I364 HydrophobicContact CD1-CD1 4.03Å; I336-I364 HydrophobicContact CD1-CG1 3.77Å; I336-I364 HydrophobicContact CD1-CG2 4.23Å; I336-I364 HydrophobicContact CG1-CG2 4.47Å; I336-I364 HydrophobicContact CG2-CG2 4.17Å; I336-E366 WeakPolarHBondContact CG2-OE2 3.4Å; I336-L367 HydrophobicContact CG1-CD1 4.47Å
337	R	94.3	Very high	93.1	Very high	198 Å²	198	66.1 Å²	66.1	75%	0.747	31%	0.309	S	S	*	.	S	Bend	trans	-93.5	-42.9	-177.1	-71.8	171.8	-69.3	162.3	6.5	112.7	E366	R337-E366 WeakPolarHBondContact CB-OE1 3.18Å; R337-E366 IonicContact CZ-OE1 2.69Å; R337-E366 VanDerWaalsContact CZ-OE1 3.23Å; R337-E366 PolarHBondContact N-OE1 2.91Å; R337-E366 PolarHBondContact N-OE2 2.93Å; R337-E366 IonicContact NE-OE1 3.86Å; R337-E366 PolarHBondContact NE-OE1 3.26Å; R337-E366 IonicContact NH2-OE1 3.64Å; R337-E366 PolarHBondContact NH2-OE1 3.33Å
338	D	93.8	Very high	91.7	Very high	38 Å²	38	67.5 Å²	67.5	20%	0.203	32%	0.319	C	S	.	.			trans	-98.8	113.7	178.7	-168.9	-22.7	0	0	0	110.6	Y265 I336 N340 Q341 E366	Y265-D338 HydrophobicContact CE2-CB 3.72Å; Y265-D338 WeakPolarHBondContact CE2-OD2 3.46Å; Y265-D338 VanDerWaalsContact CZ-OD2 3.26Å; Y265-D338 PolarHBondContact OH-OD2 3.42Å; I336-D338 WeakPolarHBondContact CG2-O 3.34Å; D338-N340 WeakPolarHBondContact OD1-CA 3.4Å; D338-N340 PolarHBondContact OD1-N 2.94Å; D338-Q341 HydrophobicContact CB-CB 4.36Å; D338-Q341 WeakPolarHBondContact O-CG 3.38Å; D338-Q341 PolarHBondContact O-NE2 3.41Å; D338-Q341 PolarHBondContact OD1-N 2.93Å; D338-E366 PolarHBondContact N-OE2 3.39Å
339	H	94.9	Very high	89.7	Confident	71 Å²	71	76.1 Å²	76.1	33%	0.329	35%	0.351	S	S	.	.	S	Bend	trans	-86.5	-4	178.7	-65.2	141.4	0	0	0	114.7	T310 K312	T310-H339 WeakPolarHBondContact CB-O 3.19Å; K312-H339 HydrophobicContact CD-CB 4.31Å; K312-H339 HydrophobicContact CG-CB 4.29Å
340	N	92.3	Very high	87.4	Confident	127 Å²	127	78.8 Å²	78.8	68%	0.679	37%	0.366	S	S	*	.	S	Bend	trans	-108.7	-2.4	-179	-60.6	-18.2	0	0	0	112.3	D338	D338-N340 WeakPolarHBondContact OD1-CA 3.4Å; D338-N340 PolarHBondContact OD1-N 2.94Å
341	Q	93.6	Very high	85.1	Confident	4 Å²	4	75.7 Å²	75.7	2%	0.019	34%	0.342	C	S	.	.			trans	-61.9	143	176	73	-172	-76.5	0	0	111.3	Y265 P311 D338 I364 P365 E366	Y265-Q341 HydrophobicContact CD2-CB 3.97Å; Y265-Q341 HydrophobicContact CE2-CB 3.92Å; P311-Q341 WeakPolarHBondContact CD-O 3.42Å; P311-Q341 HydrophobicContact CG-CG 3.73Å; D338-Q341 HydrophobicContact CB-CB 4.36Å; D338-Q341 WeakPolarHBondContact O-CG 3.38Å; D338-Q341 PolarHBondContact O-NE2 3.41Å; D338-Q341 PolarHBondContact OD1-N 2.93Å; Q341-I364 HydrophobicContact CG-CG2 4.44Å; Q341-P365 VanDerWaalsContact OE1-CD 3.25Å; Q341-E366 PolarHBondContact NE2-OE2 3.03Å; Q341-E366 VanDerWaalsContact NE2-OE2 3.07Å; Q341-E366 VanDerWaalsContact OE1-CB 3.32Å
342	P	94.2	Very high	82.8	Confident	25 Å²	25	71.9 Å²	71.9	16%	0.162	33%	0.333	C	S	.	.			trans	-67.4	170.7	174.3	31	-37.7	0	0	0	111.3	M268 V305 D306 F307 P365	M268-P342 HydrophobicContact CE-CG 3.51Å; M268-P342 HydrophobicContact SD-CG 3.91Å; V305-P342 HydrophobicContact CG1-CB 4.04Å; V305-P342 HydrophobicContact CG1-CG 4.22Å; D306-P342 WeakPolarHBondContact O-CA 3.45Å; D306-P342 WeakPolarHBondContact O-CB 3.41Å; F307-P342 HydrophobicContact CD1-CB 3.84Å; F307-P342 HydrophobicContact CD1-CG 4.15Å; F307-P342 HydrophobicContact CE1-CB 4.3Å; F307-P342 HydrophobicContact CE1-CG 4.19Å; F307-P342 HydrophobicContact CG-CB 4.24Å; P342-P365 WeakPolarHBondContact O-CD 3.22Å; P342-P365 WeakPolarHBondContact O-CG 3.16Å
343	L	94.9	Very high	80.5	Confident	0 Å²	0	75.8 Å²	75.8	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	147.2	177.9	-57.7	-173.9	0	0	0	112.3	D306 Q309 P311 F324 V362 I364	D306-L343 PolarHBondContact N-O 3.13Å; D306-L343 PolarHBondContact O-N 3.46Å; Q309-L343 HydrophobicContact CB-CD1 3.55Å; Q309-L343 HydrophobicContact CB-CG 4.06Å; P311-L343 HydrophobicContact CG-CD2 4.46Å; F324-L343 HydrophobicContact CD2-CD1 3.85Å; F324-L343 HydrophobicContact CE2-CD1 3.4Å; F324-L343 HydrophobicContact CZ-CD1 3.97Å; L343-V362 HydrophobicContact CB-CG1 3.61Å; L343-V362 HydrophobicContact CD1-CG1 3.51Å; L343-V362 HydrophobicContact CG-CG1 4.11Å; L343-I364 HydrophobicContact CD2-CD1 3.48Å; L343-I364 VanDerWaalsContact CD2-CD1 3.48Å
344	L	94.3	Very high	78.1	Confident	0 Å²	0	77.5 Å²	77.5	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	129.4	177.3	-52	175.9	0	0	0	110.1	I264 M268 V286 I302 V305 V362 L363 P365 C368	I264-L344 HydrophobicContact CB-CD1 4.07Å; I264-L344 HydrophobicContact CG1-CD1 3.99Å; I264-L344 HydrophobicContact CG2-CD1 3.95Å; I264-L344 HydrophobicContact CG2-CD2 3.91Å; M268-L344 HydrophobicContact CE-CD2 3.9Å; V286-L344 HydrophobicContact CG1-CD2 4.12Å; I302-L344 HydrophobicContact CD1-CD1 3.82Å; I302-L344 HydrophobicContact CD1-CD2 4.29Å; I302-L344 HydrophobicContact CD1-CG 4.5Å; I302-L344 HydrophobicContact CG1-CD1 4.4Å; I302-L344 HydrophobicContact CG2-CB 4.38Å; I302-L344 HydrophobicContact CG2-CD2 4.41Å; V305-L344 HydrophobicContact CG1-CD2 4.42Å; V305-L344 HydrophobicContact CG2-CD2 3.98Å; L344-V362 CarbonylContact O-C 3.58Å; L344-V362 WeakPolarHBondContact O-CA 3.31Å; L344-L363 HydrophobicContact CB-CB 4.23Å; L344-L363 PolarHBondContact N-O 3.11Å; L344-L363 PolarHBondContact O-N 3.45Å; L344-P365 HydrophobicContact CD1-CB 4.45Å; L344-P365 HydrophobicContact CD1-CG 4.35Å; L344-P365 HydrophobicContact CD2-CG 4.09Å; L344-P365 HydrophobicContact CG-CG 3.92Å; L344-C368 HydrophobicContact CD1-CB 4.05Å
345	I	92.1	Very high	75.8	Confident	18 Å²	18	79.2 Å²	79.2	9%	0.092	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	122.5	177.5	-62.3	-178.5	0	0	0	110	N303 D304 D306 K347 L360	N303-I345 PolarHBondContact N-O 3.34Å; D304-I345 HydrophobicContact CB-CB 3.94Å; D304-I345 HydrophobicContact CB-CD1 4.36Å; D304-I345 HydrophobicContact CB-CG2 4.46Å; D304-I345 PolarHBondContact N-O 3.35Å; D304-I345 VanDerWaalsContact N-O 3.13Å; D304-I345 PolarHBondContact O-N 3.06Å; D306-I345 HydrophobicContact CB-CD1 3.94Å; D306-I345 HydrophobicContact CB-CG1 4.28Å; I345-K347 HydrophobicContact CG2-CD 4.47Å; I345-K347 HydrophobicContact CG2-CG 3.94Å; I345-L360 HydrophobicContact CG1-CD2 4.48Å; I345-L360 HydrophobicContact CG2-CD1 4.02Å; I345-L360 HydrophobicContact CG2-CD2 3.91Å; I345-L360 HydrophobicContact CG2-CG 3.8Å
346	S	89.4	Confident	73.4	Confident	9 Å²	9	77.2 Å²	77.2	6%	0.063	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	114.4	171.1	160.6	0	0	0	0	109.8	R301 V361	R301-S346 WeakPolarHBondContact O-CB 3.19Å; S346-V361 PolarHBondContact N-O 3.39Å; S346-V361 PolarHBondContact O-N 3.08Å
347	K	82.9	Confident	71	Confident	96 Å²	96	79.2 Å²	79.2	42%	0.417	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	112.2	178	-63.3	179.1	-176.7	173.7	0	109.3	N303 I345 R349 L360	N303-K347 HydrophobicContact CB-CB 4.48Å; N303-K347 PolarHBondContact OD1-N 2.91Å; N303-K347 PolarHBondContact OD1-O 2.99Å; I345-K347 HydrophobicContact CG2-CD 4.47Å; I345-K347 HydrophobicContact CG2-CG 3.94Å; K347-R349 VanDerWaalsContact C-N 3.32Å; K347-R349 PolarHBondContact O-N 3.09Å; K347-L360 HydrophobicContact CG-CG 4.45Å
348	N	64.3	Low	68.8	Low	68 Å²	68	74 Å²	74	36%	0.364	39%	0.387	S	S	.	.			trans	-76.2	82.8	177	-168.7	-23.4	0	0	0	111	D350 K351 A352	N348-D350 VanDerWaalsContact C-N 3.28Å; N348-D350 PolarHBondContact O-N 2.85Å; N348-D350 PolarHBondContact OD1-N 2.88Å; N348-K351 HydrophobicContact CB-CB 4.24Å; N348-K351 PolarHBondContact O-N 2.91Å; N348-K351 PolarHBondContact OD1-N 3.46Å; N348-A352 WeakPolarHBondContact O-CB 3.45Å; N348-A352 PolarHBondContact O-N 3.01Å
349	R	53.6	Low	67.4	Low	187 Å²	187	76.4 Å²	76.4	71%	0.706	40%	0.397	S	S	*	.	H	α-helix	trans	-53.3	-41.1	-178.4	-79.6	-174.3	166.8	-174	-3.8	113.3	K347 K351 A352 L353	K347-R349 VanDerWaalsContact C-N 3.32Å; K347-R349 PolarHBondContact O-N 3.09Å; R349-K351 VanDerWaalsContact C-N 3.29Å; R349-K351 PolarHBondContact O-N 3.43Å; R349-A352 PolarHBondContact O-N 3.01Å; R349-L353 PolarHBondContact O-N 3.28Å; R349-L353 VanDerWaalsContact O-N 3.15Å
350	D	46.1	Very low	66.6	Low	121 Å²	121	76.6 Å²	76.6	65%	0.647	40%	0.4	S	S	*	.	H	α-helix	trans	-70.6	-24.7	-175.8	-60.8	-26.7	0	0	0	113.2	N348 K354	N348-D350 VanDerWaalsContact C-N 3.28Å; N348-D350 PolarHBondContact O-N 2.85Å; N348-D350 PolarHBondContact OD1-N 2.88Å; D350-K354 WeakPolarHBondContact O-CD 3.18Å; D350-K354 WeakPolarHBondContact O-CG 3.41Å
351	K	44.2	Very low	66.4	Low	52 Å²	52	72.4 Å²	72.4	23%	0.226	38%	0.379	C	S	.	.	H	α-helix	trans	-83.5	-45.8	167.9	-90.3	-169.7	166.8	-165.4	0	112.4	N348 R349 L353 K354 T355 E359	N348-K351 HydrophobicContact CB-CB 4.24Å; N348-K351 PolarHBondContact O-N 2.91Å; N348-K351 PolarHBondContact OD1-N 3.46Å; R349-K351 VanDerWaalsContact C-N 3.29Å; R349-K351 PolarHBondContact O-N 3.43Å; K351-L353 PolarHBondContact O-N 3.42Å; K351-K354 WeakPolarHBondContact O-CA 3.35Å; K351-K354 PolarHBondContact O-N 3.24Å; K351-T355 PolarHBondContact O-N 3.47Å; K351-T355 PolarHBondContact O-OG1 3.46Å; K351-T355 VanDerWaalsContact O-OG1 3.07Å; K351-E359 WeakPolarHBondContact CD-OE2 3.41Å; K351-E359 WeakPolarHBondContact CE-OE2 3.4Å; K351-E359 IonicContact NZ-OE1 3.79Å; K351-E359 PolarHBondContact NZ-OE1 3.2Å; K351-E359 IonicContact NZ-OE2 2.65Å; K351-E359 PolarHBondContact NZ-OE2 2.96Å
352	A	43.2	Very low	66.3	Low	38 Å²	38	73.6 Å²	73.6	31%	0.314	39%	0.387	S	S	.	.	H	α-helix	trans	-56.8	-38.8	-175.2	0	0	0	0	0	112.1	N348 R349 K354	N348-A352 WeakPolarHBondContact O-CB 3.45Å; N348-A352 PolarHBondContact O-N 3.01Å; R349-A352 PolarHBondContact O-N 3.01Å; A352-K354 PolarHBondContact O-N 2.76Å
353	L	44.2	Very low	66.3	Low	145 Å²	145	72.5 Å²	72.5	76%	0.759	38%	0.38	S	S	*	.	H	α-helix	trans	-66.1	-12.6	173	-82.1	161.3	0	0	0	115.2	R349 K351	R349-L353 PolarHBondContact O-N 3.28Å; R349-L353 VanDerWaalsContact O-N 3.15Å; K351-L353 PolarHBondContact O-N 3.42Å
354	K	43.2	Very low	66.4	Low	172 Å²	172	72.5 Å²	72.5	75%	0.748	38%	0.38	S	S	*	.	H	α-helix	trans	-117.1	-20.2	-172.2	-65.5	-176.7	-176.3	178.9	0	114.5	D350 K351 A352	D350-K354 WeakPolarHBondContact O-CD 3.18Å; D350-K354 WeakPolarHBondContact O-CG 3.41Å; K351-K354 WeakPolarHBondContact O-CA 3.35Å; K351-K354 PolarHBondContact O-N 3.24Å; A352-K354 PolarHBondContact O-N 2.76Å
355	T	45.8	Very low	66.4	Low	81 Å²	81	72.5 Å²	72.5	50%	0.497	38%	0.38	S	S	.	.	H	α-helix	trans	-122.8	0.3	-174.3	51.4	0	0	0	0	114.8	K351 A357	K351-T355 PolarHBondContact O-N 3.47Å; K351-T355 PolarHBondContact O-OG1 3.46Å; K351-T355 VanDerWaalsContact O-OG1 3.07Å; T355-A357 PolarHBondContact O-N 3.16Å
356	N	44	Very low	66.6	Low	162 Å²	162	72.3 Å²	72.3	87%	0.866	38%	0.378	S	S	*	.	S	Bend	trans	53.7	-11	-170	-82.1	-0.6	0	0	0	116.3
357	A	46.3	Very low	66.8	Low	51 Å²	51	73 Å²	73	42%	0.421	38%	0.381	S	S	.	.			trans	-80	117.6	168.8	0	0	0	0	0	110.4	T355 E359	T355-A357 PolarHBondContact O-N 3.16Å; A357-E359 VanDerWaalsContact C-N 3.26Å; A357-E359 PolarHBondContact O-N 3.3Å
358	S	48.4	Very low	67.2	Low	88 Å²	88	68.4 Å²	68.4	62%	0.615	36%	0.361	S	S	*	.			trans	-70.9	83.3	163.9	177.4	0	0	0	0	109.2	L360	S358-L360 PolarHBondContact O-N 2.83Å
359	E	64.1	Low	68.5	Low	89 Å²	89	66.2 Å²	66.2	42%	0.416	35%	0.348	S	S	.	.			trans	-65.6	78.4	165	-80	-171.4	-172.9	0	0	109.2	K351 A357	K351-E359 WeakPolarHBondContact CD-OE2 3.41Å; K351-E359 WeakPolarHBondContact CE-OE2 3.4Å; K351-E359 IonicContact NZ-OE1 3.79Å; K351-E359 PolarHBondContact NZ-OE1 3.2Å; K351-E359 IonicContact NZ-OE2 2.65Å; K351-E359 PolarHBondContact NZ-OE2 2.96Å; A357-E359 VanDerWaalsContact C-N 3.26Å; A357-E359 PolarHBondContact O-N 3.3Å
360	L	76.9	Confident	70.1	Confident	75 Å²	75	57.3 Å²	57.3	39%	0.393	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	114.6	170.9	-170.2	153.7	0	0	0	107.4	I345 K347 S358 V362	I345-L360 HydrophobicContact CG1-CD2 4.48Å; I345-L360 HydrophobicContact CG2-CD1 4.02Å; I345-L360 HydrophobicContact CG2-CD2 3.91Å; I345-L360 HydrophobicContact CG2-CG 3.8Å; K347-L360 HydrophobicContact CG-CG 4.45Å; S358-L360 PolarHBondContact O-N 2.83Å; L360-V362 HydrophobicContact CD2-CG2 3.45Å; L360-V362 VanDerWaalsContact CD2-CG2 3.45Å
361	V	87.9	Confident	71.9	Confident	40 Å²	40	52.4 Å²	52.4	24%	0.242	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	124.8	178.5	-175.2	0	0	0	0	108.6	Y300 S346 L363	Y300-V361 HydrophobicContact CD1-CB 4.46Å; Y300-V361 HydrophobicContact CD1-CG1 4.2Å; Y300-V361 HydrophobicContact CE1-CB 4.29Å; Y300-V361 HydrophobicContact CE1-CG1 3.78Å; Y300-V361 HydrophobicContact CE1-CG2 4.22Å; S346-V361 PolarHBondContact N-O 3.39Å; S346-V361 PolarHBondContact O-N 3.08Å; V361-L363 HydrophobicContact CG1-CD2 3.66Å; V361-L363 HydrophobicContact CG1-CG 4.11Å
362	V	92.3	Very high	73.6	Confident	29 Å²	29	51.2 Å²	51.2	18%	0.176	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	130.1	176.4	-170.5	0	0	0	0	109	F324 L343 L344 L360	F324-V362 HydrophobicContact CE1-CB 3.89Å; F324-V362 HydrophobicContact CE1-CG1 3.99Å; F324-V362 HydrophobicContact CE2-CG1 4.35Å; F324-V362 HydrophobicContact CZ-CB 3.81Å; F324-V362 HydrophobicContact CZ-CG1 3.64Å; F324-V362 HydrophobicContact CZ-CG2 4.39Å; L343-V362 HydrophobicContact CB-CG1 3.61Å; L343-V362 HydrophobicContact CD1-CG1 3.51Å; L343-V362 HydrophobicContact CG-CG1 4.11Å; L344-V362 CarbonylContact O-C 3.58Å; L344-V362 WeakPolarHBondContact O-CA 3.31Å; L360-V362 HydrophobicContact CD2-CG2 3.45Å; L360-V362 VanDerWaalsContact CD2-CG2 3.45Å
363	L	94.9	Very high	75.4	Confident	2 Å²	2	50.8 Å²	50.8	1%	0.01	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	152.3	-174.4	-52.1	169.5	0	0	0	111.3	V291 T293 Y300 L344 V361	V291-L363 HydrophobicContact CG2-CD1 4.37Å; T293-L363 HydrophobicContact CG2-CD2 4.27Å; Y300-L363 HydrophobicContact CD1-CD1 4.27Å; Y300-L363 HydrophobicContact CD2-CD1 3.69Å; Y300-L363 HydrophobicContact CD2-CD2 4.23Å; Y300-L363 HydrophobicContact CE2-CD1 4.43Å; Y300-L363 HydrophobicContact CE2-CD2 4.16Å; Y300-L363 HydrophobicContact CG-CD1 3.59Å; L344-L363 HydrophobicContact CB-CB 4.23Å; L344-L363 PolarHBondContact N-O 3.11Å; L344-L363 PolarHBondContact O-N 3.45Å; V361-L363 HydrophobicContact CG1-CD2 3.66Å; V361-L363 HydrophobicContact CG1-CG 4.11Å
364	I	96.3	Very high	76.8	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.26	C	S	.	.			trans	-90.2	123.9	177.9	-52.7	-56.3	0	0	0	109.2	P311 F324 Y328 I336 Q341 L343 E366 L367 C368	P311-I364 HydrophobicContact CB-CD1 4.33Å; P311-I364 HydrophobicContact CG-CD1 4.1Å; F324-I364 HydrophobicContact CB-CD1 3.89Å; F324-I364 HydrophobicContact CG-CD1 4.18Å; Y328-I364 HydrophobicContact CD2-CG1 3.89Å; Y328-I364 HydrophobicContact CE2-CD1 4.21Å; Y328-I364 HydrophobicContact CE2-CG1 3.5Å; Y328-I364 VanDerWaalsContact CE2-CG1 3.5Å; I336-I364 HydrophobicContact CD1-CD1 4.03Å; I336-I364 HydrophobicContact CD1-CG1 3.77Å; I336-I364 HydrophobicContact CD1-CG2 4.23Å; I336-I364 HydrophobicContact CG1-CG2 4.47Å; I336-I364 HydrophobicContact CG2-CG2 4.17Å; Q341-I364 HydrophobicContact CG-CG2 4.44Å; L343-I364 HydrophobicContact CD2-CD1 3.48Å; L343-I364 VanDerWaalsContact CD2-CD1 3.48Å; I364-E366 VanDerWaalsContact C-N 3.26Å; I364-E366 HydrophobicContact CG2-CB 4.03Å; I364-E366 PolarHBondContact O-N 3.07Å; I364-L367 HydrophobicContact CB-CB 4.33Å; I364-L367 HydrophobicContact CB-CD1 4.15Å; I364-L367 HydrophobicContact CB-CG 4.03Å; I364-L367 HydrophobicContact CG1-CD1 4.31Å; I364-L367 HydrophobicContact CG2-CG 4.16Å; I364-L367 PolarHBondContact O-N 2.89Å; I364-C368 PolarHBondContact O-SG 2.66Å
365	P	94.9	Very high	78	Confident	0 Å²	0	42 Å²	42	0%	0	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-50.7	-40.6	178.1	-28.5	31.7	0	0	0	115	I264 Y265 M268 Q341 P342 L344 L367 C368	I264-P365 HydrophobicContact CB-CB 4.15Å; I264-P365 HydrophobicContact CG2-CB 4.07Å; I264-P365 PolarHBondContact N-O 3.11Å; Y265-P365 PolarHBondContact N-O 3.12Å; M268-P365 HydrophobicContact CE-CG 4.29Å; M268-P365 HydrophobicContact SD-CB 3.81Å; M268-P365 HydrophobicContact SD-CG 3.81Å; Q341-P365 VanDerWaalsContact OE1-CD 3.25Å; P342-P365 WeakPolarHBondContact O-CD 3.22Å; P342-P365 WeakPolarHBondContact O-CG 3.16Å; L344-P365 HydrophobicContact CD1-CB 4.45Å; L344-P365 HydrophobicContact CD1-CG 4.35Å; L344-P365 HydrophobicContact CD2-CG 4.09Å; L344-P365 HydrophobicContact CG-CG 3.92Å; P365-L367 PolarHBondContact O-N 2.94Å; P365-C368 PolarHBondContact O-N 3.22Å
366	E	94.8	Very high	79.2	Confident	14 Å²	14	44.9 Å²	44.9	7%	0.065	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-61.5	-28.6	178.9	-172.2	-173.9	161.4	0	0	113	I336 R337 D338 Q341 I364	I336-E366 WeakPolarHBondContact CG2-OE2 3.4Å; R337-E366 WeakPolarHBondContact CB-OE1 3.18Å; R337-E366 IonicContact CZ-OE1 2.69Å; R337-E366 VanDerWaalsContact CZ-OE1 3.23Å; R337-E366 PolarHBondContact N-OE1 2.91Å; R337-E366 PolarHBondContact N-OE2 2.93Å; R337-E366 IonicContact NE-OE1 3.86Å; R337-E366 PolarHBondContact NE-OE1 3.26Å; R337-E366 IonicContact NH2-OE1 3.64Å; R337-E366 PolarHBondContact NH2-OE1 3.33Å; D338-E366 PolarHBondContact N-OE2 3.39Å; Q341-E366 PolarHBondContact NE2-OE2 3.03Å; Q341-E366 VanDerWaalsContact NE2-OE2 3.07Å; Q341-E366 VanDerWaalsContact OE1-CB 3.32Å; I364-E366 VanDerWaalsContact C-N 3.26Å; I364-E366 HydrophobicContact CG2-CB 4.03Å; I364-E366 PolarHBondContact O-N 3.07Å
367	L	93.9	Very high	80.8	Confident	22 Å²	22	38.5 Å²	38.5	12%	0.115	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-98.7	9.2	-177.7	-51.5	-175.4	0	0	0	112.9	Y295 Y328 I334 I336 I364 P365	Y295-L367 HydrophobicContact CD1-CB 4.14Å; Y295-L367 HydrophobicContact CD1-CD1 4.33Å; Y295-L367 HydrophobicContact CE1-CB 3.88Å; Y295-L367 HydrophobicContact CE1-CD1 4.2Å; Y328-L367 HydrophobicContact CD1-CD1 3.78Å; Y328-L367 HydrophobicContact CD2-CD1 4.27Å; Y328-L367 HydrophobicContact CE1-CD1 4.11Å; Y328-L367 HydrophobicContact CG-CD1 3.9Å; I334-L367 HydrophobicContact CG2-CD1 4.03Å; I334-L367 HydrophobicContact CG2-CD2 3.65Å; I336-L367 HydrophobicContact CG1-CD1 4.47Å; I364-L367 HydrophobicContact CB-CB 4.33Å; I364-L367 HydrophobicContact CB-CD1 4.15Å; I364-L367 HydrophobicContact CB-CG 4.03Å; I364-L367 HydrophobicContact CG1-CD1 4.31Å; I364-L367 HydrophobicContact CG2-CG 4.16Å; I364-L367 PolarHBondContact O-N 2.89Å; P365-L367 PolarHBondContact O-N 2.94Å
368	C	92.7	Very high	82.3	Confident	0 Å²	0	44 Å²	44	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	112	-174.2	-69.2	0	0	0	0	111.5	T263 I264 V291 L292 L344 I364 P365	T263-C368 CarbonylContact C-O 3.44Å; T263-C368 VanDerWaalsContact CA-O 3.26Å; T263-C368 WeakPolarHBondContact CA-O 3.39Å; I264-C368 HydrophobicContact CG1-CB 4.06Å; I264-C368 PolarHBondContact N-O 3.4Å; V291-C368 HydrophobicContact CB-CB 3.98Å; V291-C368 HydrophobicContact CG1-CB 4.13Å; V291-C368 HydrophobicContact CG2-CB 4.12Å; L292-C368 WeakPolarHBondContact O-CA 3.5Å; L344-C368 HydrophobicContact CD1-CB 4.05Å; I364-C368 PolarHBondContact O-SG 2.66Å; P365-C368 PolarHBondContact O-N 3.22Å
369	R	89.8	Confident	83.4	Confident	22 Å²	22	44.3 Å²	44.3	8%	0.083	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	140.6	175.9	-73.2	172.1	68.3	175.1	2.5	112.1	E232 M259 R260 T263 V291 L292 D294	E232-R369 IonicContact OE1-CZ 2.65Å; E232-R369 IonicContact OE1-NH1 2.84Å; E232-R369 PolarHBondContact OE1-NH1 2.87Å; E232-R369 IonicContact OE1-NH2 4Å; E232-R369 PolarHBondContact OE1-NH2 2.83Å; E232-R369 IonicContact OE2-NH1 3.21Å; E232-R369 IonicContact OE2-NH2 3.45Å; E232-R369 PolarHBondContact OE2-NH2 2.64Å; M259-R369 HydrophobicContact CE-CB 4.26Å; R260-R369 PolarHBondContact O-NE 2.84Å; R260-R369 PolarHBondContact O-NH2 3.32Å; T263-R369 HydrophobicContact CG2-CG 4.21Å; V291-R369 CarbonylContact C-O 3.25Å; V291-R369 WeakPolarHBondContact CA-O 3.35Å; L292-R369 PolarHBondContact N-O 2.76Å; L292-R369 PolarHBondContact O-N 3.19Å; D294-R369 WeakPolarHBondContact OD1-CD 3.24Å; D294-R369 WeakPolarHBondContact OD2-CD 3.4Å; D294-R369 IonicContact OD2-CZ 2.84Å; D294-R369 IonicContact OD2-NE 3.48Å; D294-R369 IonicContact OD2-NH1 3.31Å; D294-R369 PolarHBondContact OD2-NH1 3.42Å; D294-R369 VanDerWaalsContact OD2-NH1 3.15Å
370	V	88.3	Confident	84.2	Confident	0 Å²	0	43 Å²	43	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	133.2	-178.5	-179.5	0	0	0	0	111.5	R260 E262 I264 I267 L289 V291	R260-V370 HydrophobicContact CB-CB 4.46Å; R260-V370 WeakPolarHBondContact CB-O 3.42Å; R260-V370 HydrophobicContact CG-CB 4.41Å; R260-V370 WeakPolarHBondContact CG-O 3.32Å; R260-V370 PolarHBondContact N-O 2.8Å; E262-V370 PolarHBondContact O-N 2.92Å; I264-V370 HydrophobicContact CD1-CG2 3.42Å; I264-V370 VanDerWaalsContact CD1-CG2 3.42Å; I264-V370 HydrophobicContact CG1-CG2 4.3Å; I267-V370 HydrophobicContact CD1-CG2 3.56Å; L289-V370 HydrophobicContact CD1-CG1 4.13Å; L289-V370 HydrophobicContact CD1-CG2 3.98Å; V291-V370 HydrophobicContact CG1-CG2 4.49Å
371	T	84.2	Confident	84.3	Confident	19 Å²	19	47 Å²	47	12%	0.117	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	146	174.2	74.9	0	0	0	0	111.9	M259 I290 L292 T299	M259-T371 HydrophobicContact CE-CG2 3.9Å; M259-T371 HydrophobicContact SD-CG2 3.71Å; I290-T371 WeakPolarHBondContact O-CB 3.41Å; I290-T371 WeakPolarHBondContact O-CG2 3.23Å; I290-T371 PolarHBondContact O-N 3.47Å; I290-T371 PolarHBondContact O-OG1 2.71Å; L292-T371 HydrophobicContact CB-CG2 3.98Å; T299-T371 HydrophobicContact CG2-CG2 4.37Å
372	G	80.5	Confident	84.2	Confident	27 Å²	27	51.7 Å²	51.7	28%	0.278	27%	0.272	S	S	.	.	S	Bend	trans	69.7	-177.5	175.3	0	0	0	0	0	115.6	V258 R260	V258-G372 PolarHBondContact O-N 3.21Å; R260-G372 PolarHBondContact NE-O 2.94Å; R260-G372 PolarHBondContact NH2-O 2.93Å
373	L	79.1	Confident	83.8	Confident	28 Å²	28	50.5 Å²	50.5	15%	0.147	26%	0.264	C	S	.	.			trans	-105.2	135.5	-170.3	-57	169.8	0	0	0	111.9	M231 V258 M377 R378 M384 M387	M231-L373 HydrophobicContact SD-CD2 3.66Å; V258-L373 HydrophobicContact CG1-CD2 3.91Å; V258-L373 HydrophobicContact CG1-CG 4.32Å; L373-M377 HydrophobicContact CB-CB 4.2Å; L373-M377 HydrophobicContact CD2-CB 4.15Å; L373-M377 HydrophobicContact CD2-CE 3.7Å; L373-M377 HydrophobicContact CD2-SD 4.43Å; L373-R378 HydrophobicContact CB-CG 3.86Å; L373-R378 HydrophobicContact CD1-CG 4.27Å; L373-R378 PolarHBondContact O-NE 2.72Å; L373-R378 PolarHBondContact O-NH2 3.15Å; L373-M384 HydrophobicContact CD1-SD 3.92Å; L373-M387 HydrophobicContact CD1-CE 3.41Å; L373-M387 VanDerWaalsContact CD1-CE 3.41Å; L373-M387 HydrophobicContact CD1-SD 3.99Å; L373-M387 HydrophobicContact CD2-CE 3.8Å; L373-M387 HydrophobicContact CD2-SD 3.85Å; L373-M387 HydrophobicContact CG-CE 4.23Å; L373-M387 HydrophobicContact CG-SD 4.43Å
374	N	74.9	Confident	83.3	Confident	52 Å²	52	53.8 Å²	53.8	28%	0.278	28%	0.28	S	S	.	.			trans	-75.4	-178.1	168.8	81.7	-3.5	0	0	0	110.9	E376 M377 R378	N374-E376 PolarHBondContact ND2-OE2 3.2Å; N374-E376 PolarHBondContact OD1-N 3.03Å; N374-E376 VanDerWaalsContact OD1-N 3.16Å; N374-M377 HydrophobicContact CB-SD 4.26Å; N374-M377 VanDerWaalsContact OD1-CB 3.27Å; N374-M377 WeakPolarHBondContact OD1-CB 3.48Å; N374-M377 WeakPolarHBondContact OD1-CG 3.45Å; N374-M377 PolarHBondContact OD1-N 3.37Å; N374-M377 PolarHBondContact OD1-SD 3.3Å; N374-R378 VanDerWaalsContact O-CG 3.25Å; N374-R378 WeakPolarHBondContact O-CG 3.33Å; N374-R378 PolarHBondContact O-N 2.73Å
375	A	67.8	Low	82.7	Confident	81 Å²	81	62.1 Å²	62.1	67%	0.669	31%	0.312	S	S	*	.	H	α-helix	trans	-66.9	-41.8	-178.7	0	0	0	0	0	113	R378 S379	A375-R378 WeakPolarHBondContact O-CB 3.29Å; A375-R378 PolarHBondContact O-N 2.78Å; A375-R378 VanDerWaalsContact O-N 3.16Å; A375-S379 PolarHBondContact O-N 2.8Å
376	E	72.1	Confident	82.2	Confident	141 Å²	141	63.1 Å²	63.1	66%	0.659	32%	0.32	S	S	*	.	H	α-helix	trans	-66.6	-40.8	-178.9	-58.1	159.8	159.1	0	0	112	N374 R378 S379 N380	N374-E376 PolarHBondContact ND2-OE2 3.2Å; N374-E376 PolarHBondContact OD1-N 3.03Å; N374-E376 VanDerWaalsContact OD1-N 3.16Å; E376-R378 PolarHBondContact O-N 2.98Å; E376-S379 WeakPolarHBondContact CA-OG 2.93Å; E376-S379 PolarHBondContact O-N 2.73Å; E376-S379 PolarHBondContact O-OG 2.86Å; E376-N380 PolarHBondContact O-N 3.02Å
377	M	77.8	Confident	81.7	Confident	29 Å²	29	62.9 Å²	62.9	14%	0.143	32%	0.319	C	S	.	.	H	α-helix	trans	-62.6	-32.9	173.5	-68.5	164.6	90.6	0	0	111.7	M231 R260 L373 N374 L383	M231-M377 HydrophobicContact CE-CE 3.29Å; M231-M377 HydrophobicContact CG-CE 4.48Å; M231-M377 HydrophobicContact SD-CE 3.51Å; M231-M377 VanDerWaalsContact SD-CE 3.51Å; R260-M377 HydrophobicContact CG-CE 4.04Å; L373-M377 HydrophobicContact CB-CB 4.2Å; L373-M377 HydrophobicContact CD2-CB 4.15Å; L373-M377 HydrophobicContact CD2-CE 3.7Å; L373-M377 HydrophobicContact CD2-SD 4.43Å; N374-M377 HydrophobicContact CB-SD 4.26Å; N374-M377 VanDerWaalsContact OD1-CB 3.27Å; N374-M377 WeakPolarHBondContact OD1-CB 3.48Å; N374-M377 WeakPolarHBondContact OD1-CG 3.45Å; N374-M377 PolarHBondContact OD1-N 3.37Å; N374-M377 PolarHBondContact OD1-SD 3.3Å; M377-L383 HydrophobicContact CB-CD2 3.68Å; M377-L383 HydrophobicContact CE-CD2 4.48Å; M377-L383 HydrophobicContact CG-CD2 4.06Å; M377-L383 WeakPolarHBondContact O-CD2 3.47Å
378	R	76.2	Confident	81.1	Confident	165 Å²	165	62.7 Å²	62.7	62%	0.623	32%	0.319	S	S	*	.	H	α-helix	trans	-77.4	-27.3	175.7	-67.2	171.2	-158.3	-166.8	4.3	112.9	L373 N374 A375 E376 M384	L373-R378 HydrophobicContact CB-CG 3.86Å; L373-R378 HydrophobicContact CD1-CG 4.27Å; L373-R378 PolarHBondContact O-NE 2.72Å; L373-R378 PolarHBondContact O-NH2 3.15Å; N374-R378 VanDerWaalsContact O-CG 3.25Å; N374-R378 WeakPolarHBondContact O-CG 3.33Å; N374-R378 PolarHBondContact O-N 2.73Å; A375-R378 WeakPolarHBondContact O-CB 3.29Å; A375-R378 PolarHBondContact O-N 2.78Å; A375-R378 VanDerWaalsContact O-N 3.16Å; E376-R378 PolarHBondContact O-N 2.98Å; R378-M384 WeakPolarHBondContact O-CG 3.37Å
379	S	72.8	Confident	80.4	Confident	96 Å²	96	66.7 Å²	66.7	67%	0.671	35%	0.347	S	S	*	.	H	α-helix	trans	-82.8	-21.2	173.2	61.2	0	0	0	0	112.8	A375 E376 F381	A375-S379 PolarHBondContact O-N 2.8Å; E376-S379 WeakPolarHBondContact CA-OG 2.93Å; E376-S379 PolarHBondContact O-N 2.73Å; E376-S379 PolarHBondContact O-OG 2.86Å; S379-F381 PolarHBondContact O-N 2.89Å
380	N	80.1	Confident	79.9	Confident	60 Å²	60	70.6 Å²	70.6	32%	0.321	36%	0.363	S	S	.	.			trans	-65.7	102	171.4	-174.5	-31.1	0	0	0	111.2	E376 Q382 L383 M384	E376-N380 PolarHBondContact O-N 3.02Å; N380-Q382 VanDerWaalsContact C-N 3.34Å; N380-Q382 PolarHBondContact O-N 3.41Å; N380-Q382 WeakPolarHBondContact OD1-CB 3.25Å; N380-Q382 PolarHBondContact OD1-N 3.41Å; N380-L383 HydrophobicContact CB-CB 4.03Å; N380-L383 PolarHBondContact O-N 2.95Å; N380-L383 PolarHBondContact OD1-N 3.33Å; N380-M384 WeakPolarHBondContact O-CB 3.48Å; N380-M384 WeakPolarHBondContact O-CG 3.43Å; N380-M384 PolarHBondContact O-N 2.93Å
381	F	80.3	Confident	79.6	Confident	159 Å²	159	72.9 Å²	72.9	70%	0.697	38%	0.377	S	S	*	.	H	α-helix	trans	-64.6	-32.7	-178.4	-174.7	-94.8	0	0	0	113.8	S379 R385	S379-F381 PolarHBondContact O-N 2.89Å; F381-R385 WeakPolarHBondContact O-CB 3.42Å; F381-R385 PolarHBondContact O-N 3.37Å
382	Q	84.4	Confident	79.6	Confident	139 Å²	139	78.5 Å²	78.5	65%	0.65	40%	0.396	S	S	*	.	H	α-helix	trans	-67.8	-48.9	179.1	-66	175.2	-20.7	0	0	110.4	F229 N380 R385 A386	F229-Q382 HydrophobicContact CE1-CB 4.32Å; F229-Q382 HydrophobicContact CZ-CB 3.9Å; N380-Q382 VanDerWaalsContact C-N 3.34Å; N380-Q382 PolarHBondContact O-N 3.41Å; N380-Q382 WeakPolarHBondContact OD1-CB 3.25Å; N380-Q382 PolarHBondContact OD1-N 3.41Å; Q382-R385 WeakPolarHBondContact O-CB 3.29Å; Q382-R385 PolarHBondContact O-N 3.28Å; Q382-A386 WeakPolarHBondContact O-CB 3.43Å; Q382-A386 PolarHBondContact O-N 2.82Å
383	L	84.4	Confident	79.8	Confident	4 Å²	4	77.3 Å²	77.3	2%	0.021	38%	0.383	C	S	.	.	H	α-helix	trans	-58.3	-49.9	173.7	167.2	56	0	0	0	111.6	F229 M231 M377 N380 R385 A386 M387	F229-L383 HydrophobicContact CB-CD1 3.81Å; F229-L383 HydrophobicContact CD1-CB 3.81Å; F229-L383 HydrophobicContact CD1-CD1 4.25Å; F229-L383 HydrophobicContact CD1-CG 4.45Å; F229-L383 HydrophobicContact CD2-CD1 4.16Å; F229-L383 HydrophobicContact CE1-CB 3.87Å; F229-L383 HydrophobicContact CG-CB 4.19Å; F229-L383 HydrophobicContact CG-CD1 3.81Å; F229-L383 HydrophobicContact CG-CG 4.49Å; F229-L383 HydrophobicContact CZ-CB 4.31Å; M231-L383 HydrophobicContact CE-CD1 3.39Å; M231-L383 HydrophobicContact CE-CD2 3.63Å; M231-L383 HydrophobicContact CE-CG 4.17Å; M231-L383 HydrophobicContact SD-CD1 4.03Å; M377-L383 HydrophobicContact CB-CD2 3.68Å; M377-L383 HydrophobicContact CE-CD2 4.48Å; M377-L383 HydrophobicContact CG-CD2 4.06Å; M377-L383 WeakPolarHBondContact O-CD2 3.47Å; N380-L383 HydrophobicContact CB-CB 4.03Å; N380-L383 PolarHBondContact O-N 2.95Å; N380-L383 PolarHBondContact OD1-N 3.33Å; L383-R385 VanDerWaalsContact C-N 3.27Å; L383-R385 PolarHBondContact O-N 3.5Å; L383-A386 PolarHBondContact O-N 2.87Å; L383-M387 HydrophobicContact CD1-CE 3.57Å; L383-M387 HydrophobicContact CD1-CG 4Å; L383-M387 HydrophobicContact CD1-SD 3.92Å; L383-M387 HydrophobicContact CD2-CE 4.38Å; L383-M387 HydrophobicContact CG-CE 3.61Å; L383-M387 PolarHBondContact O-N 3.08Å
384	M	84.4	Confident	80.2	Confident	71 Å²	71	80 Å²	80	35%	0.35	40%	0.398	S	S	.	.	H	α-helix	trans	-62.7	-33.6	178.1	-72.4	-57.6	-54.4	0	0	112.3	L373 R378 N380 M387 S388	L373-M384 HydrophobicContact CD1-SD 3.92Å; R378-M384 WeakPolarHBondContact O-CG 3.37Å; N380-M384 WeakPolarHBondContact O-CB 3.48Å; N380-M384 WeakPolarHBondContact O-CG 3.43Å; N380-M384 PolarHBondContact O-N 2.93Å; M384-M387 HydrophobicContact CE-CE 4.48Å; M384-M387 HydrophobicContact SD-CE 3.49Å; M384-M387 WeakPolarHBondContact SD-CE 3.38Å; M384-S388 WeakPolarHBondContact O-CB 3.44Å; M384-S388 PolarHBondContact O-N 3.5Å; M384-S388 PolarHBondContact O-OG 2.84Å
385	R	84.2	Confident	80.9	Confident	176 Å²	176	77.6 Å²	77.6	66%	0.664	39%	0.385	S	S	*	.	H	α-helix	trans	-66.7	-48.1	172.8	-179.1	179.4	174.3	-170.7	-3.1	111.2	F381 Q382 L383 S388 S389	F381-R385 WeakPolarHBondContact O-CB 3.42Å; F381-R385 PolarHBondContact O-N 3.37Å; Q382-R385 WeakPolarHBondContact O-CB 3.29Å; Q382-R385 PolarHBondContact O-N 3.28Å; L383-R385 VanDerWaalsContact C-N 3.27Å; L383-R385 PolarHBondContact O-N 3.5Å; R385-S388 WeakPolarHBondContact CA-OG 3.36Å; R385-S388 PolarHBondContact O-N 2.86Å; R385-S388 PolarHBondContact O-OG 3.46Å; R385-S389 PolarHBondContact O-N 2.83Å
386	A	83.9	Confident	81.9	Confident	21 Å²	21	80.2 Å²	80.2	17%	0.174	38%	0.381	C	S	.	.	H	α-helix	trans	-62.8	-40.9	178.6	0	0	0	0	0	112.7	F229 Q382 L383 S388 S389 Y390	F229-A386 HydrophobicContact CD2-CB 4.34Å; F229-A386 HydrophobicContact CE2-CB 3.87Å; Q382-A386 WeakPolarHBondContact O-CB 3.43Å; Q382-A386 PolarHBondContact O-N 2.82Å; L383-A386 PolarHBondContact O-N 2.87Å; A386-S388 VanDerWaalsContact C-N 3.33Å; A386-S389 PolarHBondContact O-OG 2.9Å; A386-Y390 WeakPolarHBondContact O-CD2 3.4Å
387	M	83.3	Confident	82.7	Confident	8 Å²	8	78.2 Å²	78.2	4%	0.039	37%	0.372	C	S	.	.	H	α-helix	trans	-70.3	-30.1	171.1	-72.1	-176.2	-61.6	0	0	112.5	I226 M231 V258 L373 L383 M384 S389 Y390 T391	I226-M387 HydrophobicContact CD1-CG 4Å; M231-M387 HydrophobicContact SD-SD 4.24Å; V258-M387 HydrophobicContact CG1-SD 4.09Å; V258-M387 HydrophobicContact CG2-SD 4.25Å; L373-M387 HydrophobicContact CD1-CE 3.41Å; L373-M387 VanDerWaalsContact CD1-CE 3.41Å; L373-M387 HydrophobicContact CD1-SD 3.99Å; L373-M387 HydrophobicContact CD2-CE 3.8Å; L373-M387 HydrophobicContact CD2-SD 3.85Å; L373-M387 HydrophobicContact CG-CE 4.23Å; L373-M387 HydrophobicContact CG-SD 4.43Å; L383-M387 HydrophobicContact CD1-CE 3.57Å; L383-M387 HydrophobicContact CD1-CG 4Å; L383-M387 HydrophobicContact CD1-SD 3.92Å; L383-M387 HydrophobicContact CD2-CE 4.38Å; L383-M387 HydrophobicContact CG-CE 3.61Å; L383-M387 PolarHBondContact O-N 3.08Å; M384-M387 HydrophobicContact CE-CE 4.48Å; M384-M387 HydrophobicContact SD-CE 3.49Å; M384-M387 WeakPolarHBondContact SD-CE 3.38Å; M387-S389 PolarHBondContact O-N 2.95Å; M387-Y390 PolarHBondContact O-N 3.42Å; M387-T391 WeakPolarHBondContact O-CB 3.47Å; M387-T391 WeakPolarHBondContact O-CG2 3.25Å; M387-T391 PolarHBondContact O-N 2.85Å; M387-T391 PolarHBondContact O-OG1 2.81Å
388	S	81.2	Confident	83.3	Confident	18 Å²	18	77.5 Å²	77.5	13%	0.126	37%	0.368	C	S	.	.	H	α-helix	trans	-69.6	-28.9	-178.7	76.7	0	0	0	0	113.8	M384 R385 A386 Y390 T391 R392	M384-S388 WeakPolarHBondContact O-CB 3.44Å; M384-S388 PolarHBondContact O-N 3.5Å; M384-S388 PolarHBondContact O-OG 2.84Å; R385-S388 WeakPolarHBondContact CA-OG 3.36Å; R385-S388 PolarHBondContact O-N 2.86Å; R385-S388 PolarHBondContact O-OG 3.46Å; A386-S388 VanDerWaalsContact C-N 3.33Å; S388-Y390 VanDerWaalsContact C-N 3.33Å; S388-Y390 PolarHBondContact O-N 3.22Å; S388-T391 WeakPolarHBondContact CA-OG1 3.45Å; S388-R392 WeakPolarHBondContact O-CB 3.29Å; S388-R392 WeakPolarHBondContact O-CG 3.17Å; S388-R392 PolarHBondContact O-N 2.72Å
389	S	79.3	Confident	83.8	Confident	84 Å²	84	70 Å²	70	59%	0.587	34%	0.34	S	S	*	.	H	α-helix	trans	-65.1	-36.9	175.4	54	0	0	0	0	112.2	R385 A386 M387	R385-S389 PolarHBondContact O-N 2.83Å; A386-S389 PolarHBondContact O-OG 2.9Å; M387-S389 PolarHBondContact O-N 2.95Å
390	Y	78	Confident	84.6	Confident	104 Å²	104	68.5 Å²	68.5	41%	0.408	33%	0.325	S	S	.	.	H	α-helix	trans	-79.4	-39.6	175.5	-59.7	-69.9	0	0	0	112.8	I224 I226 A386 M387 S388	I224-Y390 HydrophobicContact CD1-CD1 4Å; I224-Y390 HydrophobicContact CG2-CD1 4.1Å; I224-Y390 HydrophobicContact CG2-CE1 3.91Å; I224-Y390 HydrophobicContact CG2-CE2 4.43Å; I224-Y390 HydrophobicContact CG2-CG 4.45Å; I226-Y390 HydrophobicContact CD1-CD2 4.01Å; I226-Y390 HydrophobicContact CD1-CE2 4.15Å; I226-Y390 HydrophobicContact CG1-CE2 4.26Å; A386-Y390 WeakPolarHBondContact O-CD2 3.4Å; M387-Y390 PolarHBondContact O-N 3.42Å; S388-Y390 VanDerWaalsContact C-N 3.33Å; S388-Y390 PolarHBondContact O-N 3.22Å
391	T	82.2	Confident	85	Confident	48 Å²	48	70.9 Å²	70.9	29%	0.294	33%	0.329	S	S	.	.	H	α-helix	trans	-86.2	-27	-173.5	55.9	0	0	0	0	114.8	L233 H256 M387 S388 M393	L233-T391 HydrophobicContact CD1-CG2 3.79Å; H256-T391 HydrophobicContact CB-CG2 4.21Å; M387-T391 WeakPolarHBondContact O-CB 3.47Å; M387-T391 WeakPolarHBondContact O-CG2 3.25Å; M387-T391 PolarHBondContact O-N 2.85Å; M387-T391 PolarHBondContact O-OG1 2.81Å; S388-T391 WeakPolarHBondContact CA-OG1 3.45Å; T391-M393 PolarHBondContact O-N 3.49Å
392	R	84.3	Confident	85.5	Confident	137 Å²	137	63.4 Å²	63.4	52%	0.517	30%	0.297	S	S	.	.			trans	-90.7	78.3	179.4	-61.3	-178	-178.4	166.8	6	111.8	S388	S388-R392 WeakPolarHBondContact O-CB 3.29Å; S388-R392 WeakPolarHBondContact O-CG 3.17Å; S388-R392 PolarHBondContact O-N 2.72Å
393	M	85.4	Confident	85.8	Confident	3 Å²	3	62.2 Å²	62.2	2%	0.015	29%	0.286	C	S	.	.			trans	-75.7	138	175.5	-64.9	172	-66.2	0	0	112.5	I254 T391 R398 R401 G769 T770	I254-M393 HydrophobicContact CB-CE 3.71Å; I254-M393 HydrophobicContact CD1-CE 4.01Å; I254-M393 HydrophobicContact CD1-SD 4.16Å; I254-M393 HydrophobicContact CG1-CE 4.43Å; I254-M393 HydrophobicContact CG2-CE 3.67Å; I254-M393 HydrophobicContact CG2-SD 4.38Å; T391-M393 PolarHBondContact O-N 3.49Å; M393-R398 HydrophobicContact CB-CB 4.4Å; M393-R401 PolarHBondContact SD-NH1 3.23Å; M393-G769 CarbonylContact O-C 3.59Å; M393-G769 VanDerWaalsContact O-C 3.29Å; M393-G769 VanDerWaalsContact O-CA 3.25Å; M393-G769 WeakPolarHBondContact O-CA 3.49Å; M393-T770 PolarHBondContact O-N 3.35Å; M393-T770 PolarHBondContact O-OG1 3.43Å
394	N	87.7	Confident	86.1	Confident	84 Å²	84	64.9 Å²	64.9	45%	0.449	31%	0.308	S	S	.	.			trans	-65.6	145.6	165.6	178.6	-62	0	0	0	109.8	K396 Q397 R398	N394-K396 VanDerWaalsContact C-N 3.34Å; N394-K396 PolarHBondContact O-N 2.8Å; N394-K396 PolarHBondContact OD1-N 3.02Å; N394-Q397 HydrophobicContact CB-CG 4.32Å; N394-Q397 WeakPolarHBondContact O-CB 3.33Å; N394-Q397 PolarHBondContact O-N 2.81Å; N394-Q397 VanDerWaalsContact O-N 3.12Å; N394-R398 PolarHBondContact O-N 2.87Å
395	P	89.7	Confident	86.3	Confident	1 Å²	1	61.6 Å²	61.6	1%	0.006	29%	0.292	C	S	.	.	H	α-helix	trans	-33.6	-56.3	170.1	-39.3	40.3	0	0	0	116	Q397 R398 T399 F735 G738 N740 G769	P395-Q397 PolarHBondContact O-N 2.87Å; P395-R398 WeakPolarHBondContact O-CB 3.3Å; P395-R398 PolarHBondContact O-N 3.29Å; P395-R398 VanDerWaalsContact O-N 3.08Å; P395-T399 PolarHBondContact O-N 3.1Å; P395-T399 PolarHBondContact O-OG1 2.71Å; P395-T399 VanDerWaalsContact O-OG1 3.07Å; P395-F735 HydrophobicContact CB-CD1 3.75Å; P395-F735 HydrophobicContact CB-CE1 4.07Å; P395-F735 HydrophobicContact CG-CD1 4.29Å; P395-G738 VanDerWaalsContact CB-O 3.25Å; P395-G738 WeakPolarHBondContact CB-O 3.38Å; P395-N740 HydrophobicContact CG-CB 4.29Å; P395-N740 VanDerWaalsContact CG-CG 3.45Å; P395-N740 WeakPolarHBondContact CG-OD1 3.42Å; P395-G769 WeakPolarHBondContact CD-O 3.4Å
396	K	88.1	Confident	86.7	Confident	137 Å²	137	53.3 Å²	53.3	60%	0.596	26%	0.261	S	S	*	.	H	α-helix	trans	-57.9	-51.9	-179	-177.3	172.5	-179.8	178.2	0	111.7	N394 R398 T399 D400 G738	N394-K396 VanDerWaalsContact C-N 3.34Å; N394-K396 PolarHBondContact O-N 2.8Å; N394-K396 PolarHBondContact OD1-N 3.02Å; K396-R398 PolarHBondContact O-N 2.9Å; K396-T399 PolarHBondContact O-N 3.03Å; K396-T399 VanDerWaalsContact O-N 3.12Å; K396-D400 WeakPolarHBondContact CG-OD2 3.48Å; K396-D400 PolarHBondContact O-N 2.75Å; K396-G738 PolarHBondContact N-O 2.93Å
397	Q	88.9	Confident	87.1	Confident	99 Å²	99	58 Å²	58	46%	0.463	28%	0.279	S	S	.	.	H	α-helix	trans	-61.3	-24.9	177.5	-64.4	178.3	-32.8	0	0	114.1	N394 P395 R401	N394-Q397 HydrophobicContact CB-CG 4.32Å; N394-Q397 WeakPolarHBondContact O-CB 3.33Å; N394-Q397 PolarHBondContact O-N 2.81Å; N394-Q397 VanDerWaalsContact O-N 3.12Å; P395-Q397 PolarHBondContact O-N 2.87Å; Q397-R401 WeakPolarHBondContact O-CG 3.29Å; Q397-R401 PolarHBondContact O-NH1 3.06Å
398	R	89.9	Confident	87.6	Confident	14 Å²	14	61.3 Å²	61.3	5%	0.053	29%	0.291	C	S	.	.	H	α-helix	trans	-77.8	-49.2	173.3	-176.1	179	-65	-85.3	-4.9	109.9	E253 I254 M393 N394 P395 K396 D400 R401 L402 F735 T770	E253-R398 IonicContact OE1-CZ 2.76Å; E253-R398 IonicContact OE1-NH1 2.66Å; E253-R398 PolarHBondContact OE1-NH1 2.62Å; E253-R398 IonicContact OE2-CZ 3.18Å; E253-R398 IonicContact OE2-NH1 2.68Å; E253-R398 PolarHBondContact OE2-NH1 3.45Å; I254-R398 HydrophobicContact CD1-CG 4.08Å; I254-R398 PolarHBondContact O-NH1 3.03Å; M393-R398 HydrophobicContact CB-CB 4.4Å; N394-R398 PolarHBondContact O-N 2.87Å; P395-R398 WeakPolarHBondContact O-CB 3.3Å; P395-R398 PolarHBondContact O-N 3.29Å; P395-R398 VanDerWaalsContact O-N 3.08Å; K396-R398 PolarHBondContact O-N 2.9Å; R398-D400 VanDerWaalsContact C-N 3.31Å; R398-D400 PolarHBondContact O-N 2.72Å; R398-R401 PolarHBondContact O-N 2.81Å; R398-L402 HydrophobicContact CG-CD1 3.81Å; R398-L402 VanDerWaalsContact O-CD1 3.3Å; R398-L402 WeakPolarHBondContact O-CD1 3.49Å; R398-L402 PolarHBondContact O-N 3.07Å; R398-F735 HydrophobicContact CG-CZ 4.35Å; R398-T770 PolarHBondContact NE-OG1 3.48Å
399	T	88.2	Confident	88	Confident	6 Å²	6	60.6 Å²	60.6	4%	0.037	29%	0.286	C	S	.	.	H	α-helix	trans	-57.2	-42.6	176.7	-53.4	0	0	0	0	112	P395 K396 L402 R403	P395-T399 PolarHBondContact O-N 3.1Å; P395-T399 PolarHBondContact O-OG1 2.71Å; P395-T399 VanDerWaalsContact O-OG1 3.07Å; K396-T399 PolarHBondContact O-N 3.03Å; K396-T399 VanDerWaalsContact O-N 3.12Å; T399-L402 WeakPolarHBondContact O-CB 3.2Å; T399-L402 PolarHBondContact O-N 2.64Å; T399-R403 WeakPolarHBondContact O-CG 3.45Å; T399-R403 PolarHBondContact O-N 2.82Å
400	D	88.9	Confident	88.6	Confident	66 Å²	66	58.6 Å²	58.6	35%	0.353	27%	0.267	S	S	.	.	H	α-helix	trans	-65.8	-40.9	179.5	-62.5	-28.5	0	0	0	112	K396 R398 R403 A404	K396-D400 WeakPolarHBondContact CG-OD2 3.48Å; K396-D400 PolarHBondContact O-N 2.75Å; R398-D400 VanDerWaalsContact C-N 3.31Å; R398-D400 PolarHBondContact O-N 2.72Å; D400-R403 PolarHBondContact O-N 2.76Å; D400-R403 IonicContact OD1-NH1 3.89Å; D400-R403 PolarHBondContact OD1-NH1 2.95Å; D400-A404 PolarHBondContact O-N 3.04Å
401	R	89	Confident	89.4	Confident	110 Å²	110	58.4 Å²	58.4	42%	0.415	27%	0.273	S	S	.	.	H	α-helix	trans	-67	-34.1	172.7	-77.6	-178.1	-177.4	86.7	-7.7	112.9	I254 M393 Q397 R398 A404 F405	I254-R401 HydrophobicContact CD1-CB 3.3Å; I254-R401 HydrophobicContact CD1-CG 4.2Å; M393-R401 PolarHBondContact SD-NH1 3.23Å; Q397-R401 WeakPolarHBondContact O-CG 3.29Å; Q397-R401 PolarHBondContact O-NH1 3.06Å; R398-R401 PolarHBondContact O-N 2.81Å; R401-A404 PolarHBondContact O-N 3.23Å; R401-F405 PolarHBondContact O-N 2.78Å
402	L	90.3	Very high	90.1	Very high	2 Å²	2	57.2 Å²	57.2	1%	0.01	27%	0.266	C	S	.	.	H	α-helix	trans	-63.5	-43.5	172.2	-102.9	99.1	0	0	0	112	N102 F104 I254 R398 T399 F405 N406	N102-L402 HydrophobicContact CB-CD2 3.59Å; F104-L402 HydrophobicContact CE2-CD2 4.03Å; F104-L402 HydrophobicContact CZ-CB 4.35Å; F104-L402 HydrophobicContact CZ-CD2 4.13Å; I254-L402 HydrophobicContact CD1-CD1 4.08Å; I254-L402 HydrophobicContact CG1-CD1 3.96Å; R398-L402 HydrophobicContact CG-CD1 3.81Å; R398-L402 VanDerWaalsContact O-CD1 3.3Å; R398-L402 WeakPolarHBondContact O-CD1 3.49Å; R398-L402 PolarHBondContact O-N 3.07Å; T399-L402 WeakPolarHBondContact O-CB 3.2Å; T399-L402 PolarHBondContact O-N 2.64Å; L402-F405 PolarHBondContact O-N 3.26Å; L402-N406 PolarHBondContact O-N 2.74Å
403	R	90	Very high	90.6	Very high	114 Å²	114	54.9 Å²	54.9	43%	0.43	27%	0.269	S	S	.	.	H	α-helix	trans	-62.4	-43.3	173.8	-70.1	172.1	179.9	146.5	-4.8	111.3	T399 D400 F405 N406 H407	T399-R403 WeakPolarHBondContact O-CG 3.45Å; T399-R403 PolarHBondContact O-N 2.82Å; D400-R403 PolarHBondContact O-N 2.76Å; D400-R403 IonicContact OD1-NH1 3.89Å; D400-R403 PolarHBondContact OD1-NH1 2.95Å; R403-F405 VanDerWaalsContact C-N 3.34Å; R403-F405 PolarHBondContact O-N 2.94Å; R403-N406 PolarHBondContact O-N 3.22Å; R403-H407 WeakPolarHBondContact O-CB 3.39Å; R403-H407 PolarHBondContact O-N 3.26Å
404	A	90.5	Very high	90.9	Very high	59 Å²	59	60.2 Å²	60.2	49%	0.488	29%	0.293	S	S	.	.	H	α-helix	trans	-61.5	-39.2	175.7	0	0	0	0	0	112.6	D400 R401 R408	D400-A404 PolarHBondContact O-N 3.04Å; R401-A404 PolarHBondContact O-N 3.23Å; A404-R408 WeakPolarHBondContact O-CB 3.36Å; A404-R408 PolarHBondContact O-N 3Å
405	F	89.8	Confident	91.1	Very high	2 Å²	2	56.2 Å²	56.2	1%	0.009	27%	0.272	C	S	.	.	H	α-helix	trans	-63.2	-49	172.6	171.6	-99.2	0	0	0	112.4	M205 L208 Y237 T239 T252 R401 L402 R403 H407 R408 L409	M205-F405 HydrophobicContact CE-CE1 4.34Å; M205-F405 HydrophobicContact CE-CZ 3.78Å; M205-F405 HydrophobicContact SD-CE2 4.45Å; M205-F405 HydrophobicContact SD-CZ 3.86Å; L208-F405 HydrophobicContact CD1-CD2 4.48Å; L208-F405 HydrophobicContact CD1-CE2 3.71Å; L208-F405 HydrophobicContact CD1-CZ 4.29Å; Y237-F405 HydrophobicContact CD1-CB 4.21Å; Y237-F405 AromaticContact CD1-CD2 3.68Å; Y237-F405 HydrophobicContact CD1-CD2 3.68Å; Y237-F405 HydrophobicContact CD1-CE2 4.13Å; Y237-F405 AromaticContact CD1-CG 3.88Å; Y237-F405 HydrophobicContact CD1-CG 3.88Å; Y237-F405 AromaticContact CD2-CD2 3.56Å; Y237-F405 HydrophobicContact CD2-CD2 3.56Å; Y237-F405 AromaticContact CD2-CE2 3.61Å; Y237-F405 HydrophobicContact CD2-CE2 3.61Å; Y237-F405 HydrophobicContact CE1-CB 3.61Å; Y237-F405 AromaticContact CE1-CD2 3.62Å; Y237-F405 HydrophobicContact CE1-CD2 3.62Å; Y237-F405 HydrophobicContact CE1-CE2 4.48Å; Y237-F405 AromaticContact CE1-CG 3.74Å; Y237-F405 HydrophobicContact CE1-CG 3.74Å; Y237-F405 AromaticContact CE2-CD2 3.5Å; Y237-F405 HydrophobicContact CE2-CD2 3.5Å; Y237-F405 VanDerWaalsContact CE2-CD2 3.5Å; Y237-F405 HydrophobicContact CE2-CE2 4Å; Y237-F405 HydrophobicContact CE2-CG 4.43Å; Y237-F405 AromaticContact CG-CD2 3.64Å; Y237-F405 HydrophobicContact CG-CD2 3.64Å; Y237-F405 AromaticContact CG-CE2 3.68Å; Y237-F405 HydrophobicContact CG-CE2 3.68Å; Y237-F405 HydrophobicContact CG-CG 4.28Å; Y237-F405 HydrophobicContact CG-CZ 4.35Å; Y237-F405 AromaticContact CZ-CD2 3.52Å; T239-F405 HydrophobicContact CG2-CZ 4.37Å; T252-F405 HydrophobicContact CG2-CD1 3.77Å; T252-F405 HydrophobicContact CG2-CE1 3.67Å; T252-F405 HydrophobicContact CG2-CG 4.43Å; T252-F405 HydrophobicContact CG2-CZ 4.25Å; R401-F405 PolarHBondContact O-N 2.78Å; L402-F405 PolarHBondContact O-N 3.26Å; R403-F405 VanDerWaalsContact C-N 3.34Å; R403-F405 PolarHBondContact O-N 2.94Å; F405-H407 VanDerWaalsContact C-N 3.31Å; F405-H407 PolarHBondContact O-N 2.97Å; F405-R408 PolarHBondContact O-N 3.01Å; F405-L409 HydrophobicContact CE1-CD2 4.37Å; F405-L409 HydrophobicContact CZ-CD2 4.5Å; F405-L409 WeakPolarHBondContact O-CB 3.33Å; F405-L409 PolarHBondContact O-N 3.27Å
406	N	91.9	Very high	91.3	Very high	3 Å²	3	57.2 Å²	57.2	2%	0.016	28%	0.278	C	S	.	.	H	α-helix	trans	-59.2	-44.5	177.4	-169.4	20.9	0	0	0	110.9	F104 L402 R403 R408 L409 Q410 L426 D427 K428	F104-N406 HydrophobicContact CD1-CB 4.33Å; F104-N406 VanDerWaalsContact CD1-ND2 3.3Å; F104-N406 WeakPolarHBondContact CD1-ND2 3.41Å; F104-N406 HydrophobicContact CE1-CB 3.76Å; F104-N406 VanDerWaalsContact CE1-ND2 3.3Å; F104-N406 WeakPolarHBondContact CE1-ND2 3.46Å; F104-N406 HydrophobicContact CE2-CB 4.27Å; F104-N406 HydrophobicContact CZ-CB 3.72Å; L402-N406 PolarHBondContact O-N 2.74Å; R403-N406 PolarHBondContact O-N 3.22Å; N406-R408 PolarHBondContact O-N 3.47Å; N406-L409 PolarHBondContact O-N 2.75Å; N406-Q410 PolarHBondContact ND2-NE2 2.63Å; N406-Q410 WeakPolarHBondContact O-CG 3.31Å; N406-Q410 PolarHBondContact O-N 2.97Å; N406-Q410 PolarHBondContact OD1-NE2 2.81Å; N406-L426 WeakPolarHBondContact OD1-CD2 3.44Å; N406-D427 PolarHBondContact ND2-O 2.91Å; N406-K428 WeakPolarHBondContact ND2-CA 3.41Å; N406-K428 PolarHBondContact ND2-O 2.84Å
407	H	93.3	Very high	91.5	Very high	118 Å²	118	56.9 Å²	56.9	55%	0.546	28%	0.277	S	S	.	.	H	α-helix	trans	-62.3	-43.7	177	-168	59	0	0	0	112.3	R403 F405 L409 Q410 N411	R403-H407 WeakPolarHBondContact O-CB 3.39Å; R403-H407 PolarHBondContact O-N 3.26Å; F405-H407 VanDerWaalsContact C-N 3.31Å; F405-H407 PolarHBondContact O-N 2.97Å; H407-L409 VanDerWaalsContact C-N 3.33Å; H407-L409 PolarHBondContact O-N 3.22Å; H407-Q410 PolarHBondContact O-N 2.85Å; H407-N411 PolarHBondContact CD2-ND2 3.48Å; H407-N411 PolarHBondContact CE1-ND2 3.46Å; H407-N411 PolarHBondContact NE2-ND2 2.99Å; H407-N411 WeakPolarHBondContact O-CB 3.42Å; H407-N411 PolarHBondContact O-N 2.84Å; H407-N411 PolarHBondContact O-OD1 3.43Å
408	R	92.2	Very high	91.5	Very high	79 Å²	79	52.9 Å²	52.9	30%	0.298	26%	0.259	S	S	.	.	H	α-helix	trans	-58.4	-44.4	172.8	-176.9	-174.9	168.2	167.6	-7.6	111.3	L208 D219 A404 F405 N406 N411 T412	L208-R408 HydrophobicContact CD2-CG 3.83Å; L208-R408 PolarHBondContact O-NH2 3.43Å; D219-R408 IonicContact OD2-CZ 2.76Å; D219-R408 IonicContact OD2-NH1 3.7Å; D219-R408 PolarHBondContact OD2-NH1 2.99Å; D219-R408 IonicContact OD2-NH2 2.95Å; D219-R408 PolarHBondContact OD2-NH2 3.12Å; A404-R408 WeakPolarHBondContact O-CB 3.36Å; A404-R408 PolarHBondContact O-N 3Å; F405-R408 PolarHBondContact O-N 3.01Å; N406-R408 PolarHBondContact O-N 3.47Å; R408-N411 PolarHBondContact O-N 2.89Å; R408-T412 WeakPolarHBondContact O-CB 3.28Å; R408-T412 PolarHBondContact O-N 3.18Å; R408-T412 VanDerWaalsContact O-N 3.17Å; R408-T412 PolarHBondContact O-OG1 3.08Å
409	L	91	Very high	91.6	Very high	2 Å²	2	52.8 Å²	52.8	1%	0.01	26%	0.26	C	S	.	.	H	α-helix	trans	-65.7	-37.9	178.9	-174.2	65	0	0	0	112.5	M205 L208 L250 F405 N406 H407 V416 L426	M205-L409 HydrophobicContact CE-CD1 4.36Å; M205-L409 HydrophobicContact CE-CD2 3.72Å; M205-L409 HydrophobicContact SD-CD1 4.12Å; M205-L409 HydrophobicContact SD-CD2 4.46Å; L208-L409 HydrophobicContact CD1-CD1 3.92Å; L208-L409 HydrophobicContact CD2-CB 4.4Å; L208-L409 HydrophobicContact CD2-CD1 4.1Å; L208-L409 HydrophobicContact CG-CD1 3.91Å; L250-L409 HydrophobicContact CD2-CD2 4.39Å; F405-L409 HydrophobicContact CE1-CD2 4.37Å; F405-L409 HydrophobicContact CZ-CD2 4.5Å; F405-L409 WeakPolarHBondContact O-CB 3.33Å; F405-L409 PolarHBondContact O-N 3.27Å; N406-L409 PolarHBondContact O-N 2.75Å; H407-L409 VanDerWaalsContact C-N 3.33Å; H407-L409 PolarHBondContact O-N 3.22Å; L409-V416 WeakPolarHBondContact O-CG2 3.11Å; L409-L426 HydrophobicContact CD2-CD2 3.58Å; L409-L426 HydrophobicContact CG-CD2 4.3Å
410	Q	92.2	Very high	91.7	Very high	43 Å²	43	61.2 Å²	61.2	20%	0.201	29%	0.29	C	S	.	.	H	α-helix	trans	-79	-19.7	177.2	-67.9	-167.2	27.6	0	0	114.7	N406 H407 V416 L426 D427	N406-Q410 PolarHBondContact ND2-NE2 2.63Å; N406-Q410 WeakPolarHBondContact O-CG 3.31Å; N406-Q410 PolarHBondContact O-N 2.97Å; N406-Q410 PolarHBondContact OD1-NE2 2.81Å; H407-Q410 PolarHBondContact O-N 2.85Å; Q410-V416 VanDerWaalsContact O-CG2 3.22Å; Q410-V416 WeakPolarHBondContact O-CG2 3.44Å; Q410-L426 HydrophobicContact CG-CD2 4.46Å; Q410-L426 PolarHBondContact NE2-O 2.67Å; Q410-D427 PolarHBondContact NE2-O 2.82Å
411	N	94.6	Very high	91.8	Very high	100 Å²	100	59.3 Å²	59.3	54%	0.535	28%	0.281	S	S	.	.	H	α-helix	trans	-92.6	-9.8	175	-65.1	-6.9	0	0	0	112.9	H407 R408 P413	H407-N411 PolarHBondContact CD2-ND2 3.48Å; H407-N411 PolarHBondContact CE1-ND2 3.46Å; H407-N411 PolarHBondContact NE2-ND2 2.99Å; H407-N411 WeakPolarHBondContact O-CB 3.42Å; H407-N411 PolarHBondContact O-N 2.84Å; H407-N411 PolarHBondContact O-OD1 3.43Å; R408-N411 PolarHBondContact O-N 2.89Å; N411-P413 WeakPolarHBondContact O-CD 3.35Å
412	T	95.6	Very high	91.8	Very high	23 Å²	23	54.2 Å²	54.2	14%	0.141	26%	0.261	C	S	.	.			trans	-87.9	106.8	-179.8	-59.4	0	0	0	0	109.6	G207 L208 R408 E414 S415 V416	G207-T412 WeakPolarHBondContact O-CG2 3.5Å; L208-T412 HydrophobicContact CD2-CG2 4.42Å; L208-T412 WeakPolarHBondContact CD2-OG1 3.25Å; R408-T412 WeakPolarHBondContact O-CB 3.28Å; R408-T412 PolarHBondContact O-N 3.18Å; R408-T412 VanDerWaalsContact O-N 3.17Å; R408-T412 PolarHBondContact O-OG1 3.08Å; T412-E414 VanDerWaalsContact C-N 3.29Å; T412-E414 WeakPolarHBondContact CG2-OE2 3.38Å; T412-E414 PolarHBondContact O-N 3.27Å; T412-S415 WeakPolarHBondContact O-CB 3.39Å; T412-S415 PolarHBondContact O-N 2.93Å; T412-S415 VanDerWaalsContact O-N 3.07Å; T412-V416 PolarHBondContact O-N 3.29Å
413	P	94.4	Very high	91.8	Very high	88 Å²	88	56.6 Å²	56.6	57%	0.571	27%	0.274	S	S	*	.	H	α-helix	trans	-64.1	-32.7	-168.5	24.5	-32.7	0	0	0	112.9	N411 K417	N411-P413 WeakPolarHBondContact O-CD 3.35Å; P413-K417 WeakPolarHBondContact O-CB 3.39Å; P413-K417 PolarHBondContact O-N 2.8Å
414	E	92.9	Very high	91.9	Very high	114 Å²	114	51.4 Å²	51.4	53%	0.533	26%	0.255	S	S	.	.	H	α-helix	trans	-64.5	-41.2	175.6	-57.6	73.4	-161.6	0	0	111.4	T412 V418	T412-E414 VanDerWaalsContact C-N 3.29Å; T412-E414 WeakPolarHBondContact CG2-OE2 3.38Å; T412-E414 PolarHBondContact O-N 3.27Å; E414-V418 WeakPolarHBondContact O-CG2 3.43Å; E414-V418 PolarHBondContact O-N 2.79Å
415	S	92.4	Very high	91.9	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-70.1	-43.9	179	-65.8	0	0	0	0	111.9	S204 G207 L208 T412	S204-S415 WeakPolarHBondContact O-CA 3.39Å; S204-S415 VanDerWaalsContact O-CB 3.31Å; S204-S415 WeakPolarHBondContact O-CB 3.27Å; S204-S415 PolarHBondContact O-OG 2.66Å; S204-S415 PolarHBondContact OG-O 3.17Å; G207-S415 WeakPolarHBondContact CA-OG 3.41Å; L208-S415 PolarHBondContact N-OG 3.12Å; T412-S415 WeakPolarHBondContact O-CB 3.39Å; T412-S415 PolarHBondContact O-N 2.93Å; T412-S415 VanDerWaalsContact O-N 3.07Å
416	V	93.1	Very high	92.1	Very high	22 Å²	22	54.8 Å²	54.8	13%	0.133	26%	0.261	C	S	.	.	H	α-helix	trans	-68.3	-41	178.6	173.4	0	0	0	0	111.5	L409 Q410 T412 V418 L419 R420	L409-V416 WeakPolarHBondContact O-CG2 3.11Å; Q410-V416 VanDerWaalsContact O-CG2 3.22Å; Q410-V416 WeakPolarHBondContact O-CG2 3.44Å; T412-V416 PolarHBondContact O-N 3.29Å; V416-V418 VanDerWaalsContact C-N 3.29Å; V416-V418 PolarHBondContact O-N 3.22Å; V416-L419 PolarHBondContact O-N 2.97Å; V416-R420 HydrophobicContact CG1-CG 4.06Å; V416-R420 VanDerWaalsContact CG1-NE 3.31Å; V416-R420 PolarHBondContact O-N 2.82Å
417	K	91.4	Very high	92.1	Very high	131 Å²	131	56.2 Å²	56.2	57%	0.57	27%	0.268	S	S	*	.	H	α-helix	trans	-52.9	-49.7	175.9	178.8	172.7	179.1	176.2	0	110.4	P413 L419 R420 D421	P413-K417 WeakPolarHBondContact O-CB 3.39Å; P413-K417 PolarHBondContact O-N 2.8Å; K417-L419 VanDerWaalsContact C-N 3.26Å; K417-L419 PolarHBondContact O-N 2.95Å; K417-R420 PolarHBondContact O-N 3.21Å; K417-D421 WeakPolarHBondContact CG-OD2 3.4Å; K417-D421 VanDerWaalsContact O-CB 3.24Å; K417-D421 WeakPolarHBondContact O-CB 3.22Å; K417-D421 PolarHBondContact O-N 2.73Å
418	V	90.7	Very high	91.9	Very high	14 Å²	14	57.7 Å²	57.7	9%	0.085	27%	0.273	C	S	.	.	H	α-helix	trans	-58.4	-34.3	178.6	175.2	0	0	0	0	113.3	I200 R203 E414 V416 W422	I200-V418 HydrophobicContact CG2-CG1 4.41Å; R203-V418 HydrophobicContact CB-CG1 3.97Å; R203-V418 HydrophobicContact CG-CG1 3.92Å; R203-V418 HydrophobicContact CG-CG2 3.95Å; E414-V418 WeakPolarHBondContact O-CG2 3.43Å; E414-V418 PolarHBondContact O-N 2.79Å; V416-V418 VanDerWaalsContact C-N 3.29Å; V416-V418 PolarHBondContact O-N 3.22Å; V418-W422 VanDerWaalsContact O-CD1 3.3Å
419	L	90.5	Very high	91.6	Very high	13 Å²	13	60.1 Å²	60.1	7%	0.068	29%	0.292	C	S	.	.	H	α-helix	trans	-76	-45.3	177.1	-63.5	176.7	0	0	0	111.6	L106 I200 V416 K417 D421 W422 N423 M424 L426	L106-L419 HydrophobicContact CD2-CD2 4.47Å; I200-L419 HydrophobicContact CG2-CD2 4.3Å; V416-L419 PolarHBondContact O-N 2.97Å; K417-L419 VanDerWaalsContact C-N 3.26Å; K417-L419 PolarHBondContact O-N 2.95Å; L419-D421 VanDerWaalsContact C-N 3.32Å; L419-D421 PolarHBondContact O-N 3.39Å; L419-W422 CarbonylContact O-C 3.48Å; L419-W422 PolarHBondContact O-N 3.47Å; L419-W422 VanDerWaalsContact O-N 3.09Å; L419-N423 PolarHBondContact O-N 3.44Å; L419-M424 CarbonylContact C-O 3.5Å; L419-M424 VanDerWaalsContact C-O 3.22Å; L419-M424 WeakPolarHBondContact CB-O 3.39Å; L419-M424 PolarHBondContact O-N 2.84Å; L419-M424 VanDerWaalsContact O-O 3.13Å; L419-L426 HydrophobicContact CD1-CB 4.27Å
420	R	91.1	Very high	91.5	Very high	182 Å²	182	60.9 Å²	60.9	69%	0.687	30%	0.297	S	S	*	.	H	α-helix	trans	-60.8	-40.1	175.4	-69.2	-175.5	-171.5	165	6.5	112.3	V416 K417 W422 N423	V416-R420 HydrophobicContact CG1-CG 4.06Å; V416-R420 VanDerWaalsContact CG1-NE 3.31Å; V416-R420 PolarHBondContact O-N 2.82Å; K417-R420 PolarHBondContact O-N 3.21Å; R420-W422 PolarHBondContact O-N 2.91Å; R420-N423 WeakPolarHBondContact O-CA 3.19Å; R420-N423 PolarHBondContact O-N 3.14Å
421	D	90	Very high	91.5	Very high	27 Å²	27	59.8 Å²	59.8	14%	0.144	29%	0.293	C	S	.	.	H	α-helix	trans	-54.9	-33.2	175.9	-73.6	-11	0	0	0	111.2	S144 G145 K417 L419	S144-D421 WeakPolarHBondContact CB-OD1 3.5Å; S144-D421 PolarHBondContact OG-O 2.95Å; S144-D421 VanDerWaalsContact OG-O 3.09Å; G145-D421 VanDerWaalsContact CA-O 3.25Å; G145-D421 WeakPolarHBondContact CA-O 3.47Å; G145-D421 PolarHBondContact N-O 2.9Å; K417-D421 WeakPolarHBondContact CG-OD2 3.4Å; K417-D421 VanDerWaalsContact O-CB 3.24Å; K417-D421 WeakPolarHBondContact O-CB 3.22Å; K417-D421 PolarHBondContact O-N 2.73Å; L419-D421 VanDerWaalsContact C-N 3.32Å; L419-D421 PolarHBondContact O-N 3.39Å
422	W	90.6	Very high	91.4	Very high	2 Å²	2	59.9 Å²	59.9	1%	0.008	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	9.5	176.4	-79.7	79.5	0	0	0	114.4	W112 I114 L147 F154 T156 V196 I200 V418 L419 R420 M424	W112-W422 HydrophobicContact CZ2-CE3 4.33Å; W112-W422 PolarHBondContact NE1-O 2.73Å; I114-W422 HydrophobicContact CG1-CZ3 4.5Å; I114-W422 HydrophobicContact CG2-CZ3 4.45Å; L147-W422 HydrophobicContact CB-CZ2 4.26Å; L147-W422 HydrophobicContact CD1-CH2 4.45Å; L147-W422 HydrophobicContact CD1-CZ2 4.17Å; L147-W422 HydrophobicContact CG-CH2 4.39Å; L147-W422 HydrophobicContact CG-CZ2 3.77Å; F154-W422 HydrophobicContact CB-CH2 4.2Å; F154-W422 WeakPolarHBondContact O-CH2 3.27Å; T156-W422 HydrophobicContact CG2-CE3 3.73Å; T156-W422 HydrophobicContact CG2-CZ3 4.14Å; V196-W422 HydrophobicContact CG1-CH2 4.13Å; V196-W422 HydrophobicContact CG1-CZ3 4.12Å; I200-W422 HydrophobicContact CD1-CD2 3.42Å; I200-W422 VanDerWaalsContact CD1-CD2 3.42Å; I200-W422 HydrophobicContact CD1-CE3 3.37Å; I200-W422 HydrophobicContact CD1-CG 3.95Å; I200-W422 HydrophobicContact CD1-CH2 4.22Å; I200-W422 HydrophobicContact CD1-CZ2 4.27Å; I200-W422 HydrophobicContact CD1-CZ3 3.78Å; I200-W422 HydrophobicContact CG1-CD2 3.75Å; I200-W422 HydrophobicContact CG1-CE3 4.16Å; I200-W422 HydrophobicContact CG1-CG 4.11Å; I200-W422 HydrophobicContact CG1-CZ2 4.14Å; I200-W422 HydrophobicContact CG2-CB 4.5Å; I200-W422 HydrophobicContact CG2-CG 4.17Å; V418-W422 VanDerWaalsContact O-CD1 3.3Å; L419-W422 CarbonylContact O-C 3.48Å; L419-W422 PolarHBondContact O-N 3.47Å; L419-W422 VanDerWaalsContact O-N 3.09Å; R420-W422 PolarHBondContact O-N 2.91Å; W422-M424 VanDerWaalsContact C-N 3.26Å; W422-M424 HydrophobicContact CB-CG 3.93Å; W422-M424 HydrophobicContact CB-SD 4.23Å; W422-M424 WeakPolarHBondContact O-CG 3.48Å; W422-M424 PolarHBondContact O-N 2.82Å
423	N	90	Very high	91.3	Very high	53 Å²	53	58.9 Å²	58.9	28%	0.283	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.9	37.4	-173.4	-59.3	-94.4	0	0	0	113.2	K109 T156 L419 R420	K109-N423 HydrophobicContact CD-CB 4.15Å; K109-N423 VanDerWaalsContact CE-OD1 3.23Å; K109-N423 WeakPolarHBondContact CE-OD1 3.23Å; K109-N423 HydrophobicContact CG-CB 4.42Å; K109-N423 PolarHBondContact NZ-OD1 3.19Å; T156-N423 PolarHBondContact OG1-ND2 2.79Å; L419-N423 PolarHBondContact O-N 3.44Å; R420-N423 WeakPolarHBondContact O-CA 3.19Å; R420-N423 PolarHBondContact O-N 3.14Å
424	M	90.9	Very high	91.3	Very high	5 Å²	5	60.9 Å²	60.9	3%	0.025	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	136.2	177	-47.1	-173.5	86.4	0	0	110.5	L106 K107 T108 W112 L197 I200 I248 L419 W422	L106-M424 HydrophobicContact CB-CE 4.2Å; L106-M424 HydrophobicContact CD2-CB 4.4Å; L106-M424 HydrophobicContact CD2-CE 3.61Å; L106-M424 HydrophobicContact CD2-SD 4.1Å; K107-M424 CarbonylContact O-C 3.59Å; K107-M424 WeakPolarHBondContact O-CA 3.44Å; T108-M424 HydrophobicContact CG2-CE 3.85Å; T108-M424 HydrophobicContact CG2-CG 4.26Å; W112-M424 HydrophobicContact CH2-CE 4.13Å; W112-M424 HydrophobicContact CH2-SD 4.5Å; W112-M424 HydrophobicContact CZ2-CE 4.08Å; W112-M424 HydrophobicContact CZ2-CG 4.23Å; W112-M424 HydrophobicContact CZ2-SD 4.01Å; L197-M424 HydrophobicContact CD2-CE 3.79Å; L197-M424 HydrophobicContact CD2-SD 4.42Å; I200-M424 HydrophobicContact CD1-SD 4.44Å; I200-M424 HydrophobicContact CG2-SD 4.36Å; I248-M424 HydrophobicContact CD1-CE 3.95Å; I248-M424 HydrophobicContact CG2-CE 4.5Å; L419-M424 CarbonylContact C-O 3.5Å; L419-M424 VanDerWaalsContact C-O 3.22Å; L419-M424 WeakPolarHBondContact CB-O 3.39Å; L419-M424 PolarHBondContact O-N 2.84Å; L419-M424 VanDerWaalsContact O-O 3.13Å; W422-M424 VanDerWaalsContact C-N 3.26Å; W422-M424 HydrophobicContact CB-CG 3.93Å; W422-M424 HydrophobicContact CB-SD 4.23Å; W422-M424 WeakPolarHBondContact O-CG 3.48Å; W422-M424 PolarHBondContact O-N 2.82Å
425	E	92.3	Very high	91.5	Very high	122 Å²	122	55.4 Å²	55.4	57%	0.57	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.9	135.5	172.7	-171.1	178.9	-179	0	0	110.2	L106 K107	L106-E425 CarbonylContact C-O 3.58Å; L106-E425 WeakPolarHBondContact CA-O 3.23Å; K107-E425 HydrophobicContact CB-CB 4.44Å; K107-E425 PolarHBondContact N-O 2.69Å; K107-E425 PolarHBondContact O-N 2.86Å
426	L	92.7	Very high	91.8	Very high	10 Å²	10	56.4 Å²	56.4	5%	0.052	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	125.1	180	-176.3	62.7	0	0	0	110.3	F104 L106 L250 N406 L409 Q410 L419 K428	F104-L426 HydrophobicContact CB-CD1 3.59Å; F104-L426 HydrophobicContact CB-CG 4.41Å; L106-L426 HydrophobicContact CD1-CD1 3.56Å; L106-L426 HydrophobicContact CG-CD1 4.16Å; L250-L426 HydrophobicContact CB-CD1 4.44Å; L250-L426 HydrophobicContact CD2-CD1 4.07Å; L250-L426 HydrophobicContact CD2-CD2 4.38Å; N406-L426 WeakPolarHBondContact OD1-CD2 3.44Å; L409-L426 HydrophobicContact CD2-CD2 3.58Å; L409-L426 HydrophobicContact CG-CD2 4.3Å; Q410-L426 HydrophobicContact CG-CD2 4.46Å; Q410-L426 PolarHBondContact NE2-O 2.67Å; L419-L426 HydrophobicContact CD1-CB 4.27Å; L426-K428 PolarHBondContact O-N 3.48Å
427	D	92.6	Very high	92	Very high	32 Å²	32	57 Å²	57	17%	0.171	27%	0.266	C	S	.	.			trans	-64.7	133.2	178.1	-92.5	-26.6	0	0	0	112.1	R105 K107 N406 Q410 N429	R105-D427 HydrophobicContact CB-CB 4.25Å; R105-D427 WeakPolarHBondContact CB-OD2 3.16Å; R105-D427 PolarHBondContact O-N 2.75Å; K107-D427 WeakPolarHBondContact CD-OD1 3.47Å; K107-D427 WeakPolarHBondContact CE-OD1 3.12Å; K107-D427 VanDerWaalsContact CE-OD2 3.31Å; K107-D427 WeakPolarHBondContact CE-OD2 3.47Å; K107-D427 IonicContact NZ-OD1 3.67Å; K107-D427 PolarHBondContact NZ-OD1 2.78Å; K107-D427 IonicContact NZ-OD2 3.85Å; N406-D427 PolarHBondContact ND2-O 2.91Å; Q410-D427 PolarHBondContact NE2-O 2.82Å; D427-N429 VanDerWaalsContact C-N 3.27Å; D427-N429 PolarHBondContact O-N 2.79Å
428	K	87.9	Confident	92.2	Very high	149 Å²	149	51.2 Å²	51.2	65%	0.648	24%	0.242	S	C	*	.	S	Bend	trans	-63.6	-36.2	175.8	-73.4	170.6	-178.9	175.4	0	111.8	N406 L426	N406-K428 WeakPolarHBondContact ND2-CA 3.41Å; N406-K428 PolarHBondContact ND2-O 2.84Å; L426-K428 PolarHBondContact O-N 3.48Å
429	N	86.1	Confident	92.3	Very high	130 Å²	130	52.7 Å²	52.7	70%	0.695	26%	0.26	S	S	*	.	S	Bend	trans	-89.5	148.8	-178.7	-63.2	-17.8	0	0	0	110.6	D427	D427-N429 VanDerWaalsContact C-N 3.27Å; D427-N429 PolarHBondContact O-N 2.79Å
430	V	88.8	Confident	92.5	Very high	18 Å²	18	56.7 Å²	56.7	11%	0.109	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-68	140.7	170.6	171.8	0	0	0	0	108.9	T101 F104 E432	T101-V430 WeakPolarHBondContact O-CG1 3.33Å; F104-V430 HydrophobicContact CD1-CG2 4.38Å; F104-V430 HydrophobicContact CE1-CG2 3.63Å; F104-V430 HydrophobicContact CZ-CG2 4.06Å; V430-E432 PolarHBondContact O-N 2.99Å
431	T	92.1	Very high	92.8	Very high	21 Å²	21	48.7 Å²	48.7	13%	0.129	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-63.1	125.1	174.1	-52.4	0	0	0	0	110	T101 F103 R105 L249 V433 V750	T101-T431 WeakPolarHBondContact CB-O 3.44Å; T101-T431 WeakPolarHBondContact CG2-O 3.44Å; T101-T431 PolarHBondContact N-O 2.8Å; T101-T431 VanDerWaalsContact N-O 3.12Å; T101-T431 PolarHBondContact OG1-O 3.42Å; F103-T431 PolarHBondContact O-N 2.89Å; F103-T431 PolarHBondContact O-OG1 2.9Å; R105-T431 PolarHBondContact N-OG1 3.18Å; L249-T431 HydrophobicContact CD2-CG2 4.46Å; T431-V433 HydrophobicContact CG2-CG2 4.42Å; T431-V750 HydrophobicContact CG2-CG1 4.02Å
432	E	92.6	Very high	93.1	Very high	101 Å²	101	49.7 Å²	49.7	47%	0.472	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	144.8	171.9	-54.1	-161.7	148.8	0	0	110.2	M98 L99 Q100 V430	M98-E432 HydrophobicContact CE-CB 3.67Å; L99-E432 CarbonylContact O-C 3.39Å; L99-E432 WeakPolarHBondContact O-CA 3.47Å; Q100-E432 HydrophobicContact CG-CG 4.07Å; Q100-E432 VanDerWaalsContact CG-OE1 3.28Å; Q100-E432 WeakPolarHBondContact CG-OE1 3.45Å; Q100-E432 PolarHBondContact NE2-OE1 3.35Å; V430-E432 PolarHBondContact O-N 2.99Å
433	V	94.4	Very high	93.4	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.012	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	136.5	-175.1	-178.2	0	0	0	0	109.8	L99 T101 T431 G435 V747 V750 I751	L99-V433 PolarHBondContact N-O 2.82Å; L99-V433 PolarHBondContact O-N 3.18Å; T101-V433 HydrophobicContact CG2-CB 4.16Å; T101-V433 HydrophobicContact CG2-CG2 3.48Å; T101-V433 VanDerWaalsContact CG2-CG2 3.48Å; T431-V433 HydrophobicContact CG2-CG2 4.42Å; V433-G435 PolarHBondContact O-N 2.68Å; V433-V747 HydrophobicContact CG1-CG1 3.61Å; V433-V750 HydrophobicContact CB-CB 4.43Å; V433-V750 HydrophobicContact CG1-CB 3.9Å; V433-V750 HydrophobicContact CG1-CG2 4.04Å; V433-V750 HydrophobicContact CG2-CB 3.73Å; V433-V750 HydrophobicContact CG2-CG1 3.75Å; V433-V750 HydrophobicContact CG2-CG2 4.38Å; V433-I751 HydrophobicContact CG2-CG2 4.1Å
434	Q	95.4	Very high	93.7	Very high	130 Å²	130	48.9 Å²	48.9	61%	0.607	25%	0.25	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.8	110.5	170	-168.4	177.1	25.8	0	0	108.9	M98	M98-Q434 HydrophobicContact SD-CB 3.97Å; M98-Q434 HydrophobicContact SD-CG 4.37Å
435	G	96.6	Very high	93.9	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	-176.4	168.7	0	0	0	0	0	111.7	P96 V97 V433 I746	P96-G435 WeakPolarHBondContact CA-O 3.43Å; V97-G435 PolarHBondContact N-O 2.86Å; V97-G435 PolarHBondContact O-N 3.04Å; V433-G435 PolarHBondContact O-N 2.68Å; G435-I746 CarbonylContact C-O 3.55Å; G435-I746 WeakPolarHBondContact CA-O 3.31Å
436	R	97.3	Very high	94	Very high	20 Å²	20	48.4 Å²	48.4	8%	0.075	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	149.1	175.6	-66.3	173.8	-66.5	101	3.3	110.7	G91 D93 V95 T745 I746 D748	G91-R436 PolarHBondContact O-NE 2.79Å; D93-R436 WeakPolarHBondContact O-CD 3.29Å; D93-R436 PolarHBondContact O-NH1 2.99Å; V95-R436 CarbonylContact O-C 3.59Å; V95-R436 VanDerWaalsContact O-CA 3.27Å; V95-R436 WeakPolarHBondContact O-CA 3.36Å; R436-T745 CarbonylContact O-C 3.56Å; R436-T745 WeakPolarHBondContact O-CA 3.31Å; R436-I746 PolarHBondContact N-O 2.81Å; R436-I746 PolarHBondContact O-N 3.4Å; R436-D748 IonicContact CZ-OD2 3.49Å; R436-D748 IonicContact NH2-OD1 3.97Å; R436-D748 IonicContact NH2-OD2 2.78Å; R436-D748 PolarHBondContact NH2-OD2 2.79Å
437	I	97.6	Very high	93.8	Very high	36 Å²	36	53 Å²	53	19%	0.185	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	116.8	170.9	-57.9	170	0	0	0	108.3	G94 V95 V97 L736 P742	G94-I437 CarbonylContact C-O 3.56Å; G94-I437 WeakPolarHBondContact CA-O 3.39Å; V95-I437 PolarHBondContact N-O 3.28Å; V95-I437 PolarHBondContact O-N 2.93Å; V97-I437 HydrophobicContact CG1-CD1 3.63Å; V97-I437 HydrophobicContact CG1-CG1 4.08Å; V97-I437 HydrophobicContact CG2-CD1 4.3Å; V97-I437 HydrophobicContact CG2-CG1 4Å; I437-L736 HydrophobicContact CD1-CD2 4.4Å; I437-P742 HydrophobicContact CD1-CG 3.58Å; I437-P742 HydrophobicContact CG1-CG 4.2Å; I437-P742 HydrophobicContact CG2-CG 4.49Å
438	I	95.9	Very high	93.7	Very high	9 Å²	9	53.3 Å²	53.3	5%	0.046	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-67.1	134.3	171.1	-61.2	-171.1	0	0	0	109.1	G744 I746 K792 Y795	I438-G744 PolarHBondContact N-O 2.92Å; I438-I746 HydrophobicContact CD1-CD1 3.48Å; I438-I746 VanDerWaalsContact CD1-CD1 3.48Å; I438-I746 HydrophobicContact CD1-CG1 4.42Å; I438-I746 HydrophobicContact CG1-CD1 4Å; I438-K792 HydrophobicContact CD1-CB 4.17Å; I438-K792 HydrophobicContact CG2-CG 4.46Å; I438-Y795 HydrophobicContact CB-CD1 4.06Å; I438-Y795 HydrophobicContact CB-CE1 4.36Å; I438-Y795 HydrophobicContact CG2-CD1 3.88Å; I438-Y795 HydrophobicContact CG2-CE1 4.32Å
439	G	93.7	Very high	94	Very high	45 Å²	45	51.9 Å²	51.9	46%	0.464	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-55.9	158.9	176.9	0	0	0	0	0	113.9	Q441	G439-Q441 PolarHBondContact O-NE2 2.95Å
440	Q	95.1	Very high	94.4	Very high	96 Å²	96	46.5 Å²	46.5	45%	0.449	25%	0.25	S	C	.	.	P	Polyproline II helix	trans	-57	148.4	179.9	-61.3	-179.1	18.8	0	0	111.5	G453	Q440-G453 VanDerWaalsContact CD-C 3.49Å; Q440-G453 VanDerWaalsContact OE1-CA 3.26Å
441	Q	95.9	Very high	94.7	Very high	15 Å²	15	48.8 Å²	48.8	7%	0.07	26%	0.264	C	S	.	.			trans	-106.8	145	-179.5	-56.1	-61.3	-62.9	0	0	110.4	G439 A452 I601 Y795 K796	G439-Q441 PolarHBondContact O-NE2 2.95Å; Q441-A452 WeakPolarHBondContact O-CB 3.49Å; Q441-A452 PolarHBondContact O-N 2.87Å; Q441-I601 HydrophobicContact CB-CD1 3.6Å; Q441-Y795 HydrophobicContact CG-CD1 4.08Å; Q441-Y795 HydrophobicContact CG-CE1 4Å; Q441-K796 VanDerWaalsContact OE1-CG 3.27Å
442	N	96.3	Very high	94.8	Very high	48 Å²	48	47.9 Å²	47.9	26%	0.257	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	125.6	178.7	-62.5	-47.2	0	0	0	111.4	K449 V450 I601 E602	N442-K449 HydrophobicContact CB-CB 4.4Å; N442-K449 HydrophobicContact CB-CD 4.19Å; N442-K449 HydrophobicContact CB-CG 4.44Å; N442-V450 CarbonylContact C-O 3.47Å; N442-V450 WeakPolarHBondContact CA-O 3.23Å; N442-I601 WeakPolarHBondContact O-CD1 3.14Å; N442-E602 HydrophobicContact CB-CG 4.42Å; N442-E602 WeakPolarHBondContact CB-OE2 3.45Å; N442-E602 PolarHBondContact ND2-OE2 3.28Å
443	I	97.1	Very high	94.8	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	119.3	174.8	-50.2	-61.2	0	0	0	108.3	F445 K449 V450 A452 W458 W599 I601 H799	I443-F445 HydrophobicContact CB-CE2 4.21Å; I443-F445 HydrophobicContact CG2-CD2 4.3Å; I443-F445 HydrophobicContact CG2-CE2 3.63Å; I443-F445 HydrophobicContact CG2-CZ 4.06Å; I443-K449 CarbonylContact O-C 3.51Å; I443-K449 VanDerWaalsContact O-CA 3.23Å; I443-K449 WeakPolarHBondContact O-CA 3.43Å; I443-V450 HydrophobicContact CB-CG2 4.15Å; I443-V450 PolarHBondContact N-O 2.92Å; I443-V450 PolarHBondContact O-N 2.78Å; I443-A452 HydrophobicContact CD1-CB 4.38Å; I443-A452 HydrophobicContact CG1-CB 4.21Å; I443-W458 HydrophobicContact CD1-CD2 3.95Å; I443-W458 HydrophobicContact CD1-CE3 3.89Å; I443-W458 HydrophobicContact CD1-CH2 3.83Å; I443-W458 HydrophobicContact CD1-CZ2 3.9Å; I443-W458 HydrophobicContact CD1-CZ3 3.82Å; I443-W458 HydrophobicContact CG1-CD2 3.73Å; I443-W458 HydrophobicContact CG1-CE3 3.9Å; I443-W458 HydrophobicContact CG1-CG 4.02Å; I443-W458 HydrophobicContact CG1-CZ3 4.34Å; I443-W458 HydrophobicContact CG2-CG 4.4Å; I443-W599 HydrophobicContact CG2-CB 3.7Å; I443-W599 HydrophobicContact CG2-CG 3.78Å; I443-I601 HydrophobicContact CD1-CD1 4.2Å; I443-H799 HydrophobicContact CD1-CB 4.23Å
444	V	96.6	Very high	94.5	Very high	37 Å²	37	51.8 Å²	51.8	22%	0.224	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	128.4	-175.1	-171.7	0	0	0	0	109.9	K449 L468 W599 M600 E602	V444-K449 HydrophobicContact CG2-CB 4.34Å; V444-L468 HydrophobicContact CG1-CD1 4.14Å; V444-W599 CarbonylContact O-C 3.47Å; V444-W599 VanDerWaalsContact O-CA 3.3Å; V444-W599 WeakPolarHBondContact O-CA 3.44Å; V444-M600 HydrophobicContact CB-CB 4.4Å; V444-M600 PolarHBondContact N-O 3.5Å; V444-M600 PolarHBondContact O-N 3.48Å; V444-E602 HydrophobicContact CG2-CG 4.03Å
445	F	96.1	Very high	94.3	Very high	3 Å²	3	50.2 Å²	50.2	1%	0.013	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	-179.1	176.4	-74.6	-82	0	0	0	109.6	I443 N447 G448 V450 F462 Q465 R466 L468 W599	I443-F445 HydrophobicContact CB-CE2 4.21Å; I443-F445 HydrophobicContact CG2-CD2 4.3Å; I443-F445 HydrophobicContact CG2-CE2 3.63Å; I443-F445 HydrophobicContact CG2-CZ 4.06Å; F445-N447 PolarHBondContact O-N 3.31Å; F445-G448 PolarHBondContact N-O 2.77Å; F445-V450 HydrophobicContact CD2-CG2 4.14Å; F445-V450 HydrophobicContact CE2-CG2 3.72Å; F445-F462 AromaticContact CE1-CD1 3.83Å; F445-F462 HydrophobicContact CE1-CD1 3.83Å; F445-F462 AromaticContact CE1-CE1 3.47Å; F445-F462 HydrophobicContact CE1-CE1 3.47Å; F445-F462 VanDerWaalsContact CE1-CE1 3.47Å; F445-F462 AromaticContact CE1-CZ 3.93Å; F445-F462 HydrophobicContact CE1-CZ 3.93Å; F445-F462 HydrophobicContact CZ-CD1 4.24Å; F445-F462 AromaticContact CZ-CE1 3.8Å; F445-F462 HydrophobicContact CZ-CE1 3.8Å; F445-F462 HydrophobicContact CZ-CE2 4.24Å; F445-F462 AromaticContact CZ-CZ 3.76Å; F445-F462 HydrophobicContact CZ-CZ 3.76Å; F445-Q465 HydrophobicContact CB-CB 4.42Å; F445-Q465 HydrophobicContact CD1-CB 3.97Å; F445-Q465 HydrophobicContact CD2-CB 4.4Å; F445-Q465 HydrophobicContact CD2-CG 4.38Å; F445-Q465 HydrophobicContact CE1-CB 4.3Å; F445-Q465 HydrophobicContact CG-CB 4.01Å; F445-Q465 HydrophobicContact CG-CG 4.39Å; F445-R466 WeakPolarHBondContact CD1-O 3.41Å; F445-L468 WeakPolarHBondContact O-CD1 3.48Å; F445-W599 HydrophobicContact CD1-CB 4.49Å; F445-W599 HydrophobicContact CE1-CB 4.15Å; F445-W599 HydrophobicContact CZ-CB 4.28Å
446	H	93.6	Very high	94.2	Very high	114 Å²	114	50.4 Å²	50.4	53%	0.528	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-44.4	-178.3	-170.5	69.7	0	0	0	112.2	R466 L468	H446-R466 HydrophobicContact CB-CB 4.17Å; H446-R466 PolarHBondContact N-O 3.25Å; H446-L468 PolarHBondContact ND1-O 2.83Å
447	N	87.9	Confident	94	Very high	106 Å²	106	51.6 Å²	51.6	57%	0.567	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.6	50.9	-175.6	-68.2	-8.1	0	0	0	111.8	F445	F445-N447 PolarHBondContact O-N 3.31Å
448	G	90.5	Very high	93.9	Very high	40 Å²	40	49.9 Å²	49.9	41%	0.412	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	120.2	-157.1	173.5	0	0	0	0	0	114.2	F445	F445-G448 PolarHBondContact N-O 2.77Å
449	K	94.3	Very high	93.6	Very high	119 Å²	119	52.6 Å²	52.6	52%	0.517	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	149.4	-174.4	65.7	-169	-178	-174.2	0	111.7	N442 I443 V444 E602	N442-K449 HydrophobicContact CB-CB 4.4Å; N442-K449 HydrophobicContact CB-CD 4.19Å; N442-K449 HydrophobicContact CB-CG 4.44Å; I443-K449 CarbonylContact O-C 3.51Å; I443-K449 VanDerWaalsContact O-CA 3.23Å; I443-K449 WeakPolarHBondContact O-CA 3.43Å; V444-K449 HydrophobicContact CG2-CB 4.34Å; K449-E602 WeakPolarHBondContact CD-OE1 3.39Å; K449-E602 WeakPolarHBondContact CE-OE1 3.44Å; K449-E602 IonicContact NZ-OE1 2.68Å; K449-E602 PolarHBondContact NZ-OE1 3.49Å
450	V	95.4	Very high	93.3	Very high	17 Å²	17	60.2 Å²	60.2	10%	0.103	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	145.8	178.6	-59.4	0	0	0	0	110.5	N442 I443 F445 H461	N442-V450 CarbonylContact C-O 3.47Å; N442-V450 WeakPolarHBondContact CA-O 3.23Å; I443-V450 HydrophobicContact CB-CG2 4.15Å; I443-V450 PolarHBondContact N-O 2.92Å; I443-V450 PolarHBondContact O-N 2.78Å; F445-V450 HydrophobicContact CD2-CG2 4.14Å; F445-V450 HydrophobicContact CE2-CG2 3.72Å; V450-H461 HydrophobicContact CG2-CB 4.06Å
451	P	95.3	Very high	93	Very high	65 Å²	65	59.1 Å²	59.1	42%	0.422	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	146.4	172.5	29.3	-34.6	0	0	0	110.6	G453	P451-G453 PolarHBondContact O-N 2.79Å
452	A	93.6	Very high	92.5	Very high	3 Å²	3	58.6 Å²	58.6	3%	0.025	30%	0.301	C	S	.	.			trans	-67.7	-13.1	175.4	0	0	0	0	0	114.1	Q441 I443 A456 D457 W458	Q441-A452 WeakPolarHBondContact O-CB 3.49Å; Q441-A452 PolarHBondContact O-N 2.87Å; I443-A452 HydrophobicContact CD1-CB 4.38Å; I443-A452 HydrophobicContact CG1-CB 4.21Å; A452-A456 VanDerWaalsContact O-CA 3.29Å; A452-A456 WeakPolarHBondContact O-CA 3.14Å; A452-A456 PolarHBondContact O-N 2.82Å; A452-D457 PolarHBondContact O-N 2.92Å; A452-W458 HydrophobicContact CB-CE3 3.86Å; A452-W458 HydrophobicContact CB-CZ3 4.06Å
453	G	92.4	Very high	91.7	Very high	29 Å²	29	65.8 Å²	65.8	30%	0.299	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.6	169.1	-175.7	0	0	0	0	0	113.5	Q440 P451 N455 A456	Q440-G453 VanDerWaalsContact CD-C 3.49Å; Q440-G453 VanDerWaalsContact OE1-CA 3.26Å; P451-G453 PolarHBondContact O-N 2.79Å; G453-N455 PolarHBondContact O-N 3.38Å; G453-A456 PolarHBondContact O-N 3.05Å
454	E	88.8	Confident	90.9	Very high	155 Å²	155	72 Å²	72	72%	0.724	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-35.8	-179	-59.5	178.2	161.7	0	0	112.8	A456	E454-A456 VanDerWaalsContact C-N 3.31Å
455	N	89.6	Confident	90.5	Very high	98 Å²	98	72.4 Å²	72.4	52%	0.524	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-3.8	179.2	-77	-50.6	0	0	0	113.5	G453 D457 Q765	G453-N455 PolarHBondContact O-N 3.38Å; N455-D457 VanDerWaalsContact C-N 3.27Å; N455-D457 PolarHBondContact O-N 3.4Å; N455-Q765 VanDerWaalsContact O-CD 3.27Å; N455-Q765 WeakPolarHBondContact O-CG 3.39Å; N455-Q765 PolarHBondContact O-NE2 2.88Å
456	A	94.7	Very high	90.5	Very high	3 Å²	3	79 Å²	79	3%	0.025	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.1	46.1	-176.4	0	0	0	0	0	113.6	A452 G453 E454 P743 G806 T807	A452-A456 VanDerWaalsContact O-CA 3.29Å; A452-A456 WeakPolarHBondContact O-CA 3.14Å; A452-A456 PolarHBondContact O-N 2.82Å; G453-A456 PolarHBondContact O-N 3.05Å; E454-A456 VanDerWaalsContact C-N 3.31Å; A456-P743 HydrophobicContact CB-CB 3.66Å; A456-P743 HydrophobicContact CB-CG 3.84Å; A456-G806 CarbonylContact O-C 3.57Å; A456-G806 WeakPolarHBondContact O-CA 3.36Å; A456-T807 HydrophobicContact CB-CG2 3.77Å; A456-T807 WeakPolarHBondContact CB-OG1 3.19Å; A456-T807 PolarHBondContact O-N 3.29Å
457	D	93.9	Very high	90.6	Very high	46 Å²	46	73.6 Å²	73.6	25%	0.246	36%	0.357	C	S	.	.	B	Isolated β-bridge	trans	-134.8	114	177.7	-178.3	-37.4	0	0	0	108	A452 N455 Q459	A452-D457 PolarHBondContact O-N 2.92Å; N455-D457 VanDerWaalsContact C-N 3.27Å; N455-D457 PolarHBondContact O-N 3.4Å; D457-Q459 VanDerWaalsContact OD1-CB 3.25Å; D457-Q459 WeakPolarHBondContact OD1-CB 3.33Å; D457-Q459 PolarHBondContact OD1-N 3.08Å
458	W	94.4	Very high	91	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	34%	0.338	C	S	.	.			trans	-109.7	19.8	-177.6	54.4	96.8	0	0	0	112.4	I443 A452 R460 H461 F462 W599 H799 S805 G806	I443-W458 HydrophobicContact CD1-CD2 3.95Å; I443-W458 HydrophobicContact CD1-CE3 3.89Å; I443-W458 HydrophobicContact CD1-CH2 3.83Å; I443-W458 HydrophobicContact CD1-CZ2 3.9Å; I443-W458 HydrophobicContact CD1-CZ3 3.82Å; I443-W458 HydrophobicContact CG1-CD2 3.73Å; I443-W458 HydrophobicContact CG1-CE3 3.9Å; I443-W458 HydrophobicContact CG1-CG 4.02Å; I443-W458 HydrophobicContact CG1-CZ3 4.34Å; I443-W458 HydrophobicContact CG2-CG 4.4Å; A452-W458 HydrophobicContact CB-CE3 3.86Å; A452-W458 HydrophobicContact CB-CZ3 4.06Å; W458-R460 PolarHBondContact O-N 3.39Å; W458-H461 PolarHBondContact O-N 2.87Å; W458-F462 AromaticContact CD1-CE2 3.37Å; W458-F462 AromaticContact CD1-CZ 3.68Å; W458-F462 HydrophobicContact CG-CE2 4.42Å; W458-F462 AromaticContact NE1-CE2 3.86Å; W458-F462 AromaticContact NE1-CZ 3.82Å; W458-F462 WeakPolarHBondContact O-CD2 3.49Å; W458-W599 AromaticContact CE2-CE2 3.95Å; W458-W599 AromaticContact CE2-NE1 3.98Å; W458-W599 AromaticContact CZ2-CE2 3.7Å; W458-W599 AromaticContact CZ2-CZ2 3.74Å; W458-W599 HydrophobicContact CZ2-CZ2 3.74Å; W458-W599 AromaticContact CZ2-NE1 3.51Å; W458-W599 AromaticContact NE1-CD2 3.77Å; W458-W599 AromaticContact NE1-CE2 3.57Å; W458-W599 AromaticContact NE1-CZ2 3.8Å; W458-W599 AromaticContact NE1-NE1 3.89Å; W458-H799 HydrophobicContact CH2-CB 3.89Å; W458-H799 AromaticContact CH2-CD2 3.79Å; W458-H799 WeakPolarHBondContact CZ2-O 3.27Å; W458-H799 AromaticContact CZ3-CD2 3.66Å; W458-S805 PolarHBondContact N-O 2.87Å; W458-G806 VanDerWaalsContact CH2-O 3.28Å; W458-G806 WeakPolarHBondContact CH2-O 3.31Å; W458-G806 VanDerWaalsContact CZ3-C 3.46Å
459	Q	90.6	Very high	91.3	Very high	65 Å²	65	70.4 Å²	70.4	30%	0.304	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-31.2	-178.1	-162.8	-169.1	-58.9	0	0	112.7	D457 S805	D457-Q459 VanDerWaalsContact OD1-CB 3.25Å; D457-Q459 WeakPolarHBondContact OD1-CB 3.33Å; D457-Q459 PolarHBondContact OD1-N 3.08Å; Q459-S805 VanDerWaalsContact CB-OG 3.24Å; Q459-S805 WeakPolarHBondContact CB-OG 3.31Å; Q459-S805 WeakPolarHBondContact CG-OG 3.48Å
460	R	87.7	Confident	91.3	Very high	206 Å²	206	67 Å²	67	78%	0.777	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-33.5	-178.9	-64.3	-177.6	-179.5	-173.9	-0.2	112.6	W458 F462 R463	W458-R460 PolarHBondContact O-N 3.39Å; R460-F462 VanDerWaalsContact C-N 3.31Å; R460-F462 PolarHBondContact O-N 3.42Å; R460-R463 PolarHBondContact O-N 3.31Å
461	H	88.8	Confident	91.3	Very high	72 Å²	72	66.7 Å²	66.7	33%	0.333	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-71	-20.6	-173.9	-63.8	-68.4	0	0	0	114	V450 W458 R463 D464 Q465	V450-H461 HydrophobicContact CG2-CB 4.06Å; W458-H461 PolarHBondContact O-N 2.87Å; H461-R463 PolarHBondContact O-N 3.35Å; H461-R463 VanDerWaalsContact O-N 3.12Å; H461-D464 PolarHBondContact O-N 2.94Å; H461-Q465 VanDerWaalsContact O-CB 3.29Å; H461-Q465 WeakPolarHBondContact O-CB 3.47Å; H461-Q465 VanDerWaalsContact O-CG 3.3Å; H461-Q465 WeakPolarHBondContact O-CG 3.43Å; H461-Q465 PolarHBondContact O-N 2.87Å
462	F	84.3	Confident	91.1	Very high	5 Å²	5	68.6 Å²	68.6	2%	0.022	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-65.4	-9.9	174.8	-68.1	-87.4	0	0	0	115	F445 W458 R460 D464 M504 T584 I588 W599	F445-F462 AromaticContact CE1-CD1 3.83Å; F445-F462 HydrophobicContact CE1-CD1 3.83Å; F445-F462 AromaticContact CE1-CE1 3.47Å; F445-F462 HydrophobicContact CE1-CE1 3.47Å; F445-F462 VanDerWaalsContact CE1-CE1 3.47Å; F445-F462 AromaticContact CE1-CZ 3.93Å; F445-F462 HydrophobicContact CE1-CZ 3.93Å; F445-F462 HydrophobicContact CZ-CD1 4.24Å; F445-F462 AromaticContact CZ-CE1 3.8Å; F445-F462 HydrophobicContact CZ-CE1 3.8Å; F445-F462 HydrophobicContact CZ-CE2 4.24Å; F445-F462 AromaticContact CZ-CZ 3.76Å; F445-F462 HydrophobicContact CZ-CZ 3.76Å; W458-F462 AromaticContact CD1-CE2 3.37Å; W458-F462 AromaticContact CD1-CZ 3.68Å; W458-F462 HydrophobicContact CG-CE2 4.42Å; W458-F462 AromaticContact NE1-CE2 3.86Å; W458-F462 AromaticContact NE1-CZ 3.82Å; W458-F462 WeakPolarHBondContact O-CD2 3.49Å; R460-F462 VanDerWaalsContact C-N 3.31Å; R460-F462 PolarHBondContact O-N 3.42Å; F462-D464 VanDerWaalsContact C-N 3.34Å; F462-M504 HydrophobicContact CB-SD 4.24Å; F462-M504 HydrophobicContact CD1-SD 4.12Å; F462-T584 HydrophobicContact CB-CG2 4.27Å; F462-I588 HydrophobicContact CD1-CD1 3.7Å; F462-I588 HydrophobicContact CD1-CG1 4.39Å; F462-I588 HydrophobicContact CE1-CD1 3.82Å; F462-I588 HydrophobicContact CE1-CG1 4.48Å; F462-I588 HydrophobicContact CG-CD1 4.09Å; F462-I588 HydrophobicContact CZ-CD1 4.32Å; F462-W599 AromaticContact CE1-CE3 3.59Å; F462-W599 HydrophobicContact CE1-CE3 3.59Å; F462-W599 AromaticContact CE1-CZ3 3.86Å; F462-W599 HydrophobicContact CE1-CZ3 3.86Å; F462-W599 HydrophobicContact CE2-CE3 4.46Å; F462-W599 HydrophobicContact CE2-CZ3 4.35Å; F462-W599 HydrophobicContact CZ-CD2 4.08Å; F462-W599 AromaticContact CZ-CE3 3.25Å; F462-W599 HydrophobicContact CZ-CE3 3.25Å; F462-W599 HydrophobicContact CZ-CH2 4.28Å; F462-W599 AromaticContact CZ-CZ3 3.38Å; F462-W599 HydrophobicContact CZ-CZ3 3.38Å
463	R	79.6	Confident	90.8	Very high	198 Å²	198	72.2 Å²	72.2	75%	0.747	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-70.6	-35.6	176.7	-68.6	-179.4	174.6	-169.4	-3.4	111.9	R460 H461	R460-R463 PolarHBondContact O-N 3.31Å; H461-R463 PolarHBondContact O-N 3.35Å; H461-R463 VanDerWaalsContact O-N 3.12Å
464	D	80.4	Confident	90.8	Very high	132 Å²	132	70.9 Å²	70.9	71%	0.706	34%	0.339	S	S	*	.	S	Bend	trans	-120	11.5	-167.4	-39.9	-56.3	0	0	0	111.4	H461 F462	H461-D464 PolarHBondContact O-N 2.94Å; F462-D464 VanDerWaalsContact C-N 3.34Å
465	Q	89.3	Confident	91.1	Very high	45 Å²	45	63.5 Å²	63.5	21%	0.21	31%	0.305	C	S	.	.			trans	-131.7	136.8	-174.9	-69.5	-64.1	-34.6	0	0	112.1	F445 H461	F445-Q465 HydrophobicContact CB-CB 4.42Å; F445-Q465 HydrophobicContact CD1-CB 3.97Å; F445-Q465 HydrophobicContact CD2-CB 4.4Å; F445-Q465 HydrophobicContact CD2-CG 4.38Å; F445-Q465 HydrophobicContact CE1-CB 4.3Å; F445-Q465 HydrophobicContact CG-CB 4.01Å; F445-Q465 HydrophobicContact CG-CG 4.39Å; H461-Q465 VanDerWaalsContact O-CB 3.29Å; H461-Q465 WeakPolarHBondContact O-CB 3.47Å; H461-Q465 VanDerWaalsContact O-CG 3.3Å; H461-Q465 WeakPolarHBondContact O-CG 3.43Å; H461-Q465 PolarHBondContact O-N 2.87Å
466	R	94.9	Very high	91.2	Very high	141 Å²	141	61 Å²	61	53%	0.532	29%	0.292	S	S	.	.			trans	-81.7	139.3	171.7	-65.4	-176.3	-178.8	-178.5	1.7	110.7	F445 H446 M504	F445-R466 WeakPolarHBondContact CD1-O 3.41Å; H446-R466 HydrophobicContact CB-CB 4.17Å; H446-R466 PolarHBondContact N-O 3.25Å; R466-M504 WeakPolarHBondContact CA-O 3.5Å
467	M	96.3	Very high	91.3	Very high	1 Å²	1	66.8 Å²	66.8	1%	0.005	31%	0.313	C	S	.	.			trans	-56.9	141.3	173.8	-79.8	-175.6	-63.3	0	0	111.1	T469 T470 M504 L506 I588 N591 P598	M467-T469 PolarHBondContact O-N 2.96Å; M467-T470 HydrophobicContact CB-CG2 3.98Å; M467-T470 HydrophobicContact CE-CG2 4.08Å; M467-M504 HydrophobicContact CE-CB 4Å; M467-M504 HydrophobicContact CE-CE 4.35Å; M467-M504 HydrophobicContact CG-CB 4.23Å; M467-M504 PolarHBondContact N-O 3.43Å; M467-L506 HydrophobicContact CE-CB 3.68Å; M467-L506 HydrophobicContact CE-CD2 4.35Å; M467-I588 HydrophobicContact SD-CG1 4.07Å; M467-N591 HydrophobicContact CE-CB 3.74Å; M467-N591 HydrophobicContact SD-CB 3.81Å; M467-P598 VanDerWaalsContact CA-O 3.31Å; M467-P598 WeakPolarHBondContact CA-O 3.44Å; M467-P598 HydrophobicContact CG-CB 3.95Å; M467-P598 HydrophobicContact SD-CB 3.82Å; M467-P598 HydrophobicContact SD-CG 4.04Å
468	L	96.4	Very high	91.5	Very high	32 Å²	32	64.8 Å²	64.8	17%	0.168	30%	0.302	C	S	.	.	S	Bend	trans	-52.8	-48.4	-172	179.7	71.7	0	0	0	113.7	V444 F445 H446 T597 P598 M600	V444-L468 HydrophobicContact CG1-CD1 4.14Å; F445-L468 WeakPolarHBondContact O-CD1 3.48Å; H446-L468 PolarHBondContact ND1-O 2.83Å; L468-T597 WeakPolarHBondContact CB-O 3.41Å; L468-T597 HydrophobicContact CD2-CG2 4.03Å; L468-T597 PolarHBondContact N-O 2.73Å; L468-P598 PolarHBondContact N-O 3.48Å; L468-M600 HydrophobicContact CD2-CB 3.4Å; L468-M600 VanDerWaalsContact CD2-CB 3.4Å; L468-M600 HydrophobicContact CD2-CG 4.43Å
469	T	96	Very high	91.6	Very high	47 Å²	47	64.8 Å²	64.8	29%	0.288	30%	0.302	S	S	.	.			trans	-129.8	143.1	170.7	67.8	0	0	0	0	110.9	M467 N591 T597	M467-T469 PolarHBondContact O-N 2.96Å; T469-N591 PolarHBondContact O-ND2 3.03Å; T469-T597 PolarHBondContact N-O 3.37Å; T469-T597 WeakPolarHBondContact OG1-CB 3.37Å; T469-T597 PolarHBondContact OG1-N 3.11Å
470	T	95.3	Very high	92	Very high	46 Å²	46	61.7 Å²	61.7	28%	0.282	29%	0.288	S	S	.	.			trans	-144.5	151	178.5	50.3	0	0	0	0	108.8	M467 S472 L506 Y596	M467-T470 HydrophobicContact CB-CG2 3.98Å; M467-T470 HydrophobicContact CE-CG2 4.08Å; T470-S472 PolarHBondContact O-N 3.03Å; T470-L506 HydrophobicContact CG2-CB 4.45Å; T470-Y596 VanDerWaalsContact C-CD1 3.46Å
471	P	94.7	Very high	92.5	Very high	12 Å²	12	51.9 Å²	51.9	8%	0.078	25%	0.251	C	S	.	.			trans	-61	132.8	173.5	22.8	-30.5	0	0	0	110.9	D473 G474 L506 N591 L594 Y596	P471-D473 VanDerWaalsContact C-N 3.28Å; P471-D473 PolarHBondContact O-N 3.09Å; P471-G474 WeakPolarHBondContact O-CA 3.44Å; P471-G474 PolarHBondContact O-N 3.43Å; P471-L506 HydrophobicContact CG-CD1 4Å; P471-N591 WeakPolarHBondContact CD-OD1 3.39Å; P471-L594 HydrophobicContact CG-CD1 4.23Å; P471-Y596 VanDerWaalsContact CA-CZ 3.5Å; P471-Y596 HydrophobicContact CB-CD2 4.36Å; P471-Y596 HydrophobicContact CB-CE1 4.22Å; P471-Y596 HydrophobicContact CB-CE2 3.7Å; P471-Y596 HydrophobicContact CG-CD2 4.27Å; P471-Y596 HydrophobicContact CG-CE2 4.06Å
472	S	90.3	Very high	93	Very high	104 Å²	104	48.5 Å²	48.5	73%	0.727	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-40.4	175.1	48.4	0	0	0	0	112.4	T470 G474 R507	T470-S472 PolarHBondContact O-N 3.03Å; S472-G474 PolarHBondContact O-N 2.9Å; S472-R507 PolarHBondContact O-NH2 2.8Å
473	D	87.7	Confident	93.5	Very high	80 Å²	80	48.3 Å²	48.3	43%	0.428	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-20.6	176.4	-53.9	-29.6	0	0	0	112	P471 R507 K537	P471-D473 VanDerWaalsContact C-N 3.28Å; P471-D473 PolarHBondContact O-N 3.09Å; D473-R507 PolarHBondContact O-NE 2.98Å; D473-R507 PolarHBondContact O-NH2 3.06Å; D473-K537 IonicContact OD2-NZ 2.82Å; D473-K537 PolarHBondContact OD2-NZ 2.96Å
474	G	93.2	Very high	94.3	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.225	C	C	.	.			trans	75.6	-159.6	-165.1	0	0	0	0	0	112.4	P471 S472 D476 R507	P471-G474 WeakPolarHBondContact O-CA 3.44Å; P471-G474 PolarHBondContact O-N 3.43Å; S472-G474 PolarHBondContact O-N 2.9Å; G474-D476 PolarHBondContact O-N 3.01Å; G474-R507 CarbonylContact C-O 3.58Å; G474-R507 WeakPolarHBondContact CA-O 3.23Å
475	L	95.5	Very high	95	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-92.5	84.2	165.1	-171.3	56.5	0	0	0	108.2	W478 R507 I508 R509 K537 L538 L590 L594	L475-W478 HydrophobicContact CD1-CB 3.69Å; L475-W478 HydrophobicContact CD1-CG 4.01Å; L475-W478 HydrophobicContact CD2-CB 4.22Å; L475-W478 HydrophobicContact CD2-CD2 3.71Å; L475-W478 HydrophobicContact CD2-CE3 4.09Å; L475-W478 HydrophobicContact CD2-CG 3.8Å; L475-W478 HydrophobicContact CG-CB 3.85Å; L475-W478 HydrophobicContact CG-CD2 4.02Å; L475-W478 HydrophobicContact CG-CG 3.56Å; L475-R507 PolarHBondContact N-O 3.34Å; L475-I508 HydrophobicContact CB-CB 4.49Å; L475-I508 HydrophobicContact CB-CG1 4.15Å; L475-I508 HydrophobicContact CB-CG2 4.38Å; L475-I508 HydrophobicContact CD2-CG2 4.35Å; L475-R509 PolarHBondContact O-N 2.88Å; L475-K537 HydrophobicContact CD1-CB 4.1Å; L475-L538 HydrophobicContact CD1-CB 4.24Å; L475-L590 HydrophobicContact CD2-CD1 4.33Å; L475-L594 HydrophobicContact CB-CD1 4.41Å; L475-L594 HydrophobicContact CD1-CD1 3.98Å; L475-L594 HydrophobicContact CD1-CD2 3.89Å
476	D	91.7	Very high	95.3	Very high	47 Å²	47	43.8 Å²	43.8	25%	0.251	21%	0.211	S	C	.	.			trans	-88.6	-40.9	-173.5	59.4	-23	0	0	0	113.9	G474 K537	G474-D476 PolarHBondContact O-N 3.01Å; D476-K537 WeakPolarHBondContact OD1-CD 3.39Å; D476-K537 WeakPolarHBondContact OD1-CE 3.37Å; D476-K537 IonicContact OD1-NZ 3.66Å; D476-K537 PolarHBondContact OD1-NZ 3.2Å; D476-K537 IonicContact OD2-NZ 2.73Å; D476-K537 PolarHBondContact OD2-NZ 3.49Å
477	R	95.6	Very high	95.2	Very high	123 Å²	123	38.4 Å²	38.4	46%	0.464	20%	0.195	S	C	.	.	S	Bend	trans	-124.4	103.1	179.9	-169.3	173	72.6	-171.2	-0.5	109.8	S534 D535 K537	R477-S534 WeakPolarHBondContact CD-O 3.06Å; R477-S534 PolarHBondContact NE-O 3.12Å; R477-S534 VanDerWaalsContact NE-O 3.1Å; R477-D535 PolarHBondContact NE-O 3.06Å; R477-D535 PolarHBondContact NH2-O 3.35Å; R477-K537 WeakPolarHBondContact O-CB 3.47Å; R477-K537 PolarHBondContact O-N 3.28Å
478	W	97.8	Very high	95.2	Very high	4 Å²	4	45.2 Å²	45.2	2%	0.015	23%	0.226	C	C	.	.			trans	-156.3	166.8	-178.4	72	-64.2	0	0	0	110	L475 V480 L494 L497 Y498 I508 R509 P511 Q512 L538 L540	L475-W478 HydrophobicContact CD1-CB 3.69Å; L475-W478 HydrophobicContact CD1-CG 4.01Å; L475-W478 HydrophobicContact CD2-CB 4.22Å; L475-W478 HydrophobicContact CD2-CD2 3.71Å; L475-W478 HydrophobicContact CD2-CE3 4.09Å; L475-W478 HydrophobicContact CD2-CG 3.8Å; L475-W478 HydrophobicContact CG-CB 3.85Å; L475-W478 HydrophobicContact CG-CD2 4.02Å; L475-W478 HydrophobicContact CG-CG 3.56Å; W478-V480 HydrophobicContact CE3-CG2 4.18Å; W478-V480 HydrophobicContact CH2-CG2 3.95Å; W478-V480 HydrophobicContact CZ3-CG2 3.59Å; W478-L494 HydrophobicContact CH2-CD2 3.64Å; W478-L494 HydrophobicContact CZ2-CD2 4.35Å; W478-L497 HydrophobicContact CH2-CD2 4.08Å; W478-Y498 HydrophobicContact CZ2-CE1 4.2Å; W478-I508 HydrophobicContact CH2-CG2 4.42Å; W478-I508 HydrophobicContact CZ2-CG2 3.47Å; W478-I508 VanDerWaalsContact CZ2-CG2 3.47Å; W478-R509 PolarHBondContact NE1-O 3.38Å; W478-P511 HydrophobicContact CD2-CB 3.81Å; W478-P511 HydrophobicContact CE3-CB 4.16Å; W478-P511 HydrophobicContact CG-CB 4.32Å; W478-P511 HydrophobicContact CH2-CB 4.17Å; W478-P511 HydrophobicContact CH2-CG 4.16Å; W478-P511 HydrophobicContact CZ2-CB 3.79Å; W478-P511 HydrophobicContact CZ2-CG 3.85Å; W478-P511 HydrophobicContact CZ3-CB 4.33Å; W478-P511 WeakPolarHBondContact O-CA 3.47Å; W478-Q512 PolarHBondContact O-N 2.78Å; W478-L538 WeakPolarHBondContact CA-O 3.08Å; W478-L538 HydrophobicContact CB-CB 4.48Å; W478-L538 VanDerWaalsContact CB-O 3.32Å; W478-L538 WeakPolarHBondContact CB-O 3.44Å; W478-L538 HydrophobicContact CE3-CD2 4.27Å; W478-L540 HydrophobicContact CZ3-CB 4.05Å; W478-L540 HydrophobicContact CZ3-CD1 4.27Å
479	A	98.3	Very high	95.2	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	160.7	-174.1	0	0	0	0	0	113.1	Q512 F514 C531 P536 L538 I539 L540	A479-Q512 VanDerWaalsContact CA-O 3.28Å; A479-Q512 WeakPolarHBondContact CA-O 3.28Å; A479-Q512 HydrophobicContact CB-CB 4.19Å; A479-Q512 WeakPolarHBondContact CB-O 3.36Å; A479-F514 HydrophobicContact CB-CD2 4.32Å; A479-F514 HydrophobicContact CB-CE2 4.44Å; A479-C531 WeakPolarHBondContact CB-SG 3.29Å; A479-P536 HydrophobicContact CB-CB 4.48Å; A479-L538 PolarHBondContact N-O 3.42Å; A479-L538 VanDerWaalsContact N-O 3.09Å; A479-I539 CarbonylContact O-C 3.54Å; A479-I539 WeakPolarHBondContact O-CA 3.41Å; A479-L540 PolarHBondContact O-N 2.9Å
480	V	98.4	Very high	95.2	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.006	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	130.6	179.6	170.4	0	0	0	0	109.4	W478 L490 L494 P511 Q512 F514 L540	W478-V480 HydrophobicContact CE3-CG2 4.18Å; W478-V480 HydrophobicContact CH2-CG2 3.95Å; W478-V480 HydrophobicContact CZ3-CG2 3.59Å; V480-L490 HydrophobicContact CG1-CD1 3.42Å; V480-L490 VanDerWaalsContact CG1-CD1 3.42Å; V480-L490 HydrophobicContact CG1-CD2 3.53Å; V480-L490 HydrophobicContact CG1-CG 4.05Å; V480-L494 HydrophobicContact CG2-CD2 4.13Å; V480-P511 HydrophobicContact CB-CB 4.27Å; V480-P511 HydrophobicContact CB-CG 4.27Å; V480-P511 HydrophobicContact CG2-CB 3.63Å; V480-P511 HydrophobicContact CG2-CG 3.59Å; V480-Q512 PolarHBondContact N-O 2.8Å; V480-F514 PolarHBondContact O-N 2.71Å; V480-L540 CarbonylContact C-O 3.53Å; V480-L540 VanDerWaalsContact CA-O 3.29Å; V480-L540 WeakPolarHBondContact CA-O 3.37Å; V480-L540 HydrophobicContact CG1-CD2 4.48Å; V480-L540 HydrophobicContact CG2-CB 4.25Å
481	I	98.4	Very high	95.3	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	121.8	175.8	-55.7	171.8	0	0	0	108.7	F514 I516 Y524 A527 M528 I539 L540 C541 L542	I481-F514 WeakPolarHBondContact CA-O 3.4Å; I481-F514 HydrophobicContact CG1-CB 3.98Å; I481-I516 HydrophobicContact CG2-CD1 4.13Å; I481-I516 HydrophobicContact CG2-CG2 4.21Å; I481-Y524 HydrophobicContact CB-CD1 4.49Å; I481-Y524 HydrophobicContact CG2-CD1 3.73Å; I481-Y524 HydrophobicContact CG2-CE1 4.13Å; I481-A527 HydrophobicContact CD1-CB 4.08Å; I481-A527 HydrophobicContact CG1-CB 4.4Å; I481-A527 HydrophobicContact CG2-CB 3.94Å; I481-M528 HydrophobicContact CD1-CB 4.24Å; I481-M528 HydrophobicContact CD1-CG 3.39Å; I481-I539 HydrophobicContact CD1-CG2 3.72Å; I481-I539 HydrophobicContact CG1-CG2 4.07Å; I481-L540 PolarHBondContact N-O 2.96Å; I481-C541 WeakPolarHBondContact O-CA 3.06Å; I481-L542 PolarHBondContact O-N 3.42Å
482	A	97.9	Very high	95.4	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	148	-178.8	0	0	0	0	0	112.5	L490 F514 I515 I516 L542	A482-L490 HydrophobicContact CB-CD2 3.84Å; A482-F514 PolarHBondContact N-O 2.92Å; A482-I515 WeakPolarHBondContact O-CA 3.39Å; A482-I516 WeakPolarHBondContact O-CG1 3.42Å; A482-I516 PolarHBondContact O-N 3.12Å; A482-L542 HydrophobicContact CB-CB 4.01Å; A482-L542 HydrophobicContact CB-CD2 4.32Å
483	P	96.5	Very high	95.7	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.013	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	141.4	172.1	-20.3	33.9	0	0	0	112.3	R485 N486 I516 D519 Y524	P483-R485 HydrophobicContact CB-CG 4.23Å; P483-R485 PolarHBondContact O-N 3.48Å; P483-R485 VanDerWaalsContact O-N 3.14Å; P483-N486 WeakPolarHBondContact O-CA 3.35Å; P483-N486 PolarHBondContact O-N 3.4Å; P483-I516 CarbonylContact C-O 3.56Å; P483-I516 VanDerWaalsContact CA-O 3.27Å; P483-I516 WeakPolarHBondContact CA-O 3.24Å; P483-I516 HydrophobicContact CG-CG1 4.42Å; P483-D519 HydrophobicContact CG-CB 4.13Å; P483-Y524 WeakPolarHBondContact CD-OH 3.34Å; P483-Y524 VanDerWaalsContact CG-OH 3.31Å; P483-Y524 WeakPolarHBondContact CG-OH 3.25Å
484	Q	95.3	Very high	96.2	Very high	117 Å²	117	41.1 Å²	41.1	55%	0.547	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-52.1	-39	-178.7	-171.8	179.5	0.1	0	0	113.6	N486 S487 I515 I516	Q484-N486 PolarHBondContact O-N 3.27Å; Q484-N486 VanDerWaalsContact O-N 3.07Å; Q484-S487 PolarHBondContact O-N 3.5Å; Q484-S487 PolarHBondContact O-OG 2.68Å; Q484-I515 VanDerWaalsContact CA-CG2 3.46Å; Q484-I515 HydrophobicContact CB-CG2 3.61Å; Q484-I515 HydrophobicContact CG-CG2 4.01Å; Q484-I516 PolarHBondContact N-O 3.4Å
485	R	95.3	Very high	96.4	Very high	153 Å²	153	45.1 Å²	45.1	58%	0.577	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	-63.6	-9.9	176.5	72.4	179.9	-173.7	-156.2	-6.7	114.7	P483 D519	P483-R485 HydrophobicContact CB-CG 4.23Å; P483-R485 PolarHBondContact O-N 3.48Å; P483-R485 VanDerWaalsContact O-N 3.14Å; R485-D519 IonicContact CZ-OD2 3.65Å; R485-D519 IonicContact NH1-OD2 3.78Å; R485-D519 IonicContact NH2-OD2 2.71Å; R485-D519 PolarHBondContact NH2-OD2 3.39Å
486	N	95.1	Very high	96.4	Very high	9 Å²	9	45.8 Å²	45.8	5%	0.048	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-118.9	13.8	-175.6	-65.5	125.4	0	0	0	113.5	P483 Q484 H488 E489 L490 L542 L571	P483-N486 WeakPolarHBondContact O-CA 3.35Å; P483-N486 PolarHBondContact O-N 3.4Å; Q484-N486 PolarHBondContact O-N 3.27Å; Q484-N486 VanDerWaalsContact O-N 3.07Å; N486-H488 VanDerWaalsContact C-N 3.28Å; N486-H488 PolarHBondContact O-N 3.23Å; N486-E489 WeakPolarHBondContact CA-OE2 3.2Å; N486-E489 PolarHBondContact O-N 3.13Å; N486-L490 PolarHBondContact O-N 3.27Å; N486-L542 HydrophobicContact CB-CD2 4.25Å; N486-L571 HydrophobicContact CB-CD1 4.24Å; N486-L571 VanDerWaalsContact ND2-CD2 3.35Å; N486-L571 WeakPolarHBondContact ND2-CD2 3.33Å
487	S	94.2	Very high	96.7	Very high	28 Å²	28	43.6 Å²	43.6	20%	0.196	20%	0.196	C	C	.	.	H	α-helix	trans	-61.8	-31.6	179.8	-57.9	0	0	0	0	113.6	Q484 L490 R491	Q484-S487 PolarHBondContact O-N 3.5Å; Q484-S487 PolarHBondContact O-OG 2.68Å; S487-L490 PolarHBondContact O-N 3.4Å; S487-R491 WeakPolarHBondContact O-CG 3.4Å; S487-R491 PolarHBondContact O-N 3.31Å; S487-R491 VanDerWaalsContact O-N 3.09Å
488	H	95.6	Very high	96.7	Very high	144 Å²	144	40.1 Å²	40.1	67%	0.667	18%	0.184	S	C	*	.	H	α-helix	trans	-67.3	-51.1	176.2	179.3	75.9	0	0	0	111.3	N486 L490 R491 T492	N486-H488 VanDerWaalsContact C-N 3.28Å; N486-H488 PolarHBondContact O-N 3.23Å; H488-L490 PolarHBondContact O-N 3.15Å; H488-R491 PolarHBondContact O-N 3.38Å; H488-T492 PolarHBondContact O-N 2.91Å; H488-T492 VanDerWaalsContact O-N 3.15Å; H488-T492 PolarHBondContact O-OG1 2.89Å; H488-T492 VanDerWaalsContact O-OG1 3.08Å
489	E	96.4	Very high	96.5	Very high	27 Å²	27	48.7 Å²	48.7	13%	0.126	22%	0.216	C	C	.	.	H	α-helix	trans	-63.7	-28.5	176.4	-64.9	101.2	145.5	0	0	113.2	N486 L493 L571 T574 K575	N486-E489 WeakPolarHBondContact CA-OE2 3.2Å; N486-E489 PolarHBondContact O-N 3.13Å; E489-L493 WeakPolarHBondContact O-CB 3.43Å; E489-L493 PolarHBondContact O-N 2.94Å; E489-L493 VanDerWaalsContact O-N 3.11Å; E489-L571 HydrophobicContact CB-CD1 3.75Å; E489-L571 HydrophobicContact CG-CD1 3.82Å; E489-T574 WeakPolarHBondContact CB-OG1 3.38Å; E489-K575 HydrophobicContact CG-CG 4.5Å; E489-K575 WeakPolarHBondContact OE1-CE 3.3Å; E489-K575 IonicContact OE1-NZ 3.73Å; E489-K575 PolarHBondContact OE1-NZ 2.82Å
490	L	96.8	Very high	96.3	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-65	-49.8	173	178.4	66.4	0	0	0	111.4	V480 A482 N486 S487 H488 T492 L493 L494 I515 L542	V480-L490 HydrophobicContact CG1-CD1 3.42Å; V480-L490 VanDerWaalsContact CG1-CD1 3.42Å; V480-L490 HydrophobicContact CG1-CD2 3.53Å; V480-L490 HydrophobicContact CG1-CG 4.05Å; A482-L490 HydrophobicContact CB-CD2 3.84Å; N486-L490 PolarHBondContact O-N 3.27Å; S487-L490 PolarHBondContact O-N 3.4Å; H488-L490 PolarHBondContact O-N 3.15Å; L490-T492 VanDerWaalsContact C-N 3.33Å; L490-T492 PolarHBondContact O-N 3.18Å; L490-L493 WeakPolarHBondContact O-CB 3.01Å; L490-L493 PolarHBondContact O-N 3.27Å; L490-L493 VanDerWaalsContact O-N 3.11Å; L490-L494 HydrophobicContact CD1-CD1 4.26Å; L490-L494 HydrophobicContact CD1-CG 4.2Å; L490-L494 HydrophobicContact CD2-CD1 4.42Å; L490-L494 HydrophobicContact CG-CD1 3.98Å; L490-L494 HydrophobicContact CG-CG 4.31Å; L490-L494 WeakPolarHBondContact O-CG 3.36Å; L490-L494 PolarHBondContact O-N 2.87Å; L490-I515 HydrophobicContact CD2-CD1 4.45Å; L490-L542 HydrophobicContact CB-CD2 3.81Å; L490-L542 HydrophobicContact CD1-CB 4.37Å; L490-L542 HydrophobicContact CD1-CD2 4.12Å
491	R	96.5	Very high	96.2	Very high	152 Å²	152	49.1 Å²	49.1	57%	0.574	22%	0.219	S	C	*	.	H	α-helix	trans	-57.2	-47	177.8	-71	174.1	-174.4	175.1	2.2	111.1	S487 H488 L493 L494 D495	S487-R491 WeakPolarHBondContact O-CG 3.4Å; S487-R491 PolarHBondContact O-N 3.31Å; S487-R491 VanDerWaalsContact O-N 3.09Å; H488-R491 PolarHBondContact O-N 3.38Å; R491-L493 VanDerWaalsContact C-N 3.28Å; R491-L493 PolarHBondContact O-N 3.39Å; R491-L494 PolarHBondContact O-N 3.49Å; R491-D495 PolarHBondContact O-N 3.29Å
492	T	96.8	Very high	95.9	Very high	51 Å²	51	52.6 Å²	52.6	31%	0.313	24%	0.244	S	C	.	.	H	α-helix	trans	-56.9	-38.8	175.8	-46.9	0	0	0	0	113.1	H488 L490 S496 L579	H488-T492 PolarHBondContact O-N 2.91Å; H488-T492 VanDerWaalsContact O-N 3.15Å; H488-T492 PolarHBondContact O-OG1 2.89Å; H488-T492 VanDerWaalsContact O-OG1 3.08Å; L490-T492 VanDerWaalsContact C-N 3.33Å; L490-T492 PolarHBondContact O-N 3.18Å; T492-S496 WeakPolarHBondContact O-CB 3.41Å; T492-S496 PolarHBondContact O-N 3.02Å; T492-S496 PolarHBondContact O-OG 3.26Å; T492-L579 HydrophobicContact CG2-CD2 3.91Å
493	L	97.6	Very high	95.4	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-67.5	-45.1	174.7	174.4	65.1	0	0	0	111.7	E489 L490 R491 S496 L497 L540 L542 V569 T574 L579 I586	E489-L493 WeakPolarHBondContact O-CB 3.43Å; E489-L493 PolarHBondContact O-N 2.94Å; E489-L493 VanDerWaalsContact O-N 3.11Å; L490-L493 WeakPolarHBondContact O-CB 3.01Å; L490-L493 PolarHBondContact O-N 3.27Å; L490-L493 VanDerWaalsContact O-N 3.11Å; R491-L493 VanDerWaalsContact C-N 3.28Å; R491-L493 PolarHBondContact O-N 3.39Å; L493-S496 PolarHBondContact O-N 3.04Å; L493-L497 VanDerWaalsContact O-CB 3.29Å; L493-L497 WeakPolarHBondContact O-CB 3.46Å; L493-L497 PolarHBondContact O-N 3.26Å; L493-L540 HydrophobicContact CD2-CD2 4.4Å; L493-L542 HydrophobicContact CD2-CD1 4.37Å; L493-V569 HydrophobicContact CD1-CG1 4.37Å; L493-V569 HydrophobicContact CD2-CB 4.09Å; L493-V569 HydrophobicContact CD2-CG1 3.86Å; L493-V569 HydrophobicContact CD2-CG2 4.17Å; L493-T574 HydrophobicContact CB-CG2 3.85Å; L493-T574 HydrophobicContact CD1-CG2 4.39Å; L493-T574 HydrophobicContact CD2-CG2 4Å; L493-T574 HydrophobicContact CG-CG2 4.3Å; L493-L579 HydrophobicContact CD1-CD1 4.19Å; L493-I586 HydrophobicContact CD1-CD1 4.2Å
494	L	97.7	Very high	95.2	Very high	4 Å²	4	54.7 Å²	54.7	2%	0.021	27%	0.266	C	S	.	.	H	α-helix	trans	-64.4	-46.5	-179.7	-69	177	0	0	0	111.5	W478 V480 L490 R491 S496 L497 Y498 P511	W478-L494 HydrophobicContact CH2-CD2 3.64Å; W478-L494 HydrophobicContact CZ2-CD2 4.35Å; V480-L494 HydrophobicContact CG2-CD2 4.13Å; L490-L494 HydrophobicContact CD1-CD1 4.26Å; L490-L494 HydrophobicContact CD1-CG 4.2Å; L490-L494 HydrophobicContact CD2-CD1 4.42Å; L490-L494 HydrophobicContact CG-CD1 3.98Å; L490-L494 HydrophobicContact CG-CG 4.31Å; L490-L494 WeakPolarHBondContact O-CG 3.36Å; L490-L494 PolarHBondContact O-N 2.87Å; R491-L494 PolarHBondContact O-N 3.49Å; L494-S496 VanDerWaalsContact C-N 3.3Å; L494-S496 PolarHBondContact O-N 3.47Å; L494-L497 CarbonylContact O-C 3.51Å; L494-L497 WeakPolarHBondContact O-CA 3.5Å; L494-L497 WeakPolarHBondContact O-CB 3.22Å; L494-L497 PolarHBondContact O-N 2.89Å; L494-Y498 HydrophobicContact CB-CE2 3.87Å; L494-Y498 WeakPolarHBondContact O-CD2 3.38Å; L494-Y498 PolarHBondContact O-N 3.25Å; L494-P511 HydrophobicContact CD1-CG 4.2Å; L494-P511 HydrophobicContact CD2-CG 4.47Å
495	D	96.6	Very high	95.1	Very high	83 Å²	83	50.4 Å²	50.4	44%	0.444	25%	0.253	S	S	.	.	H	α-helix	trans	-57.9	-43.7	176.4	-66.7	-29	0	0	0	112	R491 L497 R499	R491-D495 PolarHBondContact O-N 3.29Å; D495-L497 VanDerWaalsContact C-N 3.32Å; D495-L497 PolarHBondContact O-N 2.88Å; D495-R499 VanDerWaalsContact O-CG 3.29Å; D495-R499 WeakPolarHBondContact O-CG 3.48Å; D495-R499 PolarHBondContact O-N 2.93Å; D495-R499 VanDerWaalsContact O-N 3.17Å
496	S	96.4	Very high	95.2	Very high	15 Å²	15	43.1 Å²	43.1	11%	0.105	23%	0.225	C	C	.	.	H	α-helix	trans	-64.8	-38	176	-58.8	0	0	0	0	111.8	T492 L493 L494 A500 L579 A583	T492-S496 WeakPolarHBondContact O-CB 3.41Å; T492-S496 PolarHBondContact O-N 3.02Å; T492-S496 PolarHBondContact O-OG 3.26Å; L493-S496 PolarHBondContact O-N 3.04Å; L494-S496 VanDerWaalsContact C-N 3.3Å; L494-S496 PolarHBondContact O-N 3.47Å; S496-A500 VanDerWaalsContact O-CB 3.25Å; S496-A500 WeakPolarHBondContact O-CB 3.37Å; S496-A500 PolarHBondContact O-N 3.43Å; S496-L579 VanDerWaalsContact OG-CD2 3.25Å; S496-L579 WeakPolarHBondContact OG-CD2 3.5Å; S496-A583 WeakPolarHBondContact O-CB 3.29Å
497	L	96.8	Very high	95.2	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-69.4	-44.7	178.5	-175.4	68.6	0	0	0	111.9	W478 L493 L494 D495 A500 A501 I508 L540 I586 A587 L590	W478-L497 HydrophobicContact CH2-CD2 4.08Å; L493-L497 VanDerWaalsContact O-CB 3.29Å; L493-L497 WeakPolarHBondContact O-CB 3.46Å; L493-L497 PolarHBondContact O-N 3.26Å; L494-L497 CarbonylContact O-C 3.51Å; L494-L497 WeakPolarHBondContact O-CA 3.5Å; L494-L497 WeakPolarHBondContact O-CB 3.22Å; L494-L497 PolarHBondContact O-N 2.89Å; D495-L497 VanDerWaalsContact C-N 3.32Å; D495-L497 PolarHBondContact O-N 2.88Å; L497-A500 PolarHBondContact O-N 2.82Å; L497-A501 WeakPolarHBondContact O-CB 3.44Å; L497-A501 PolarHBondContact O-N 3.37Å; L497-I508 HydrophobicContact CD2-CD1 4.32Å; L497-I508 HydrophobicContact CG-CD1 4.06Å; L497-L540 HydrophobicContact CD2-CD1 4.49Å; L497-I586 HydrophobicContact CD1-CB 4.17Å; L497-I586 HydrophobicContact CD1-CG2 3.78Å; L497-A587 HydrophobicContact CD1-CB 3.9Å; L497-L590 HydrophobicContact CD1-CD1 4.11Å; L497-L590 HydrophobicContact CD2-CD1 3.92Å; L497-L590 HydrophobicContact CG-CD1 4.48Å
498	Y	96.6	Very high	95.3	Very high	50 Å²	50	48.2 Å²	48.2	20%	0.196	24%	0.241	C	C	.	.	H	α-helix	trans	-59.3	-48.9	176.6	-58.8	-40.6	0	0	0	111.2	W478 L494 S502 I508 P511	W478-Y498 HydrophobicContact CZ2-CE1 4.2Å; L494-Y498 HydrophobicContact CB-CE2 3.87Å; L494-Y498 WeakPolarHBondContact O-CD2 3.38Å; L494-Y498 PolarHBondContact O-N 3.25Å; Y498-S502 VanDerWaalsContact O-CB 3.29Å; Y498-S502 WeakPolarHBondContact O-CB 3.45Å; Y498-S502 PolarHBondContact O-N 3.39Å; Y498-S502 PolarHBondContact O-OG 3.22Å; Y498-I508 HydrophobicContact CD1-CB 4.13Å; Y498-I508 HydrophobicContact CD1-CG2 3.87Å; Y498-I508 HydrophobicContact CE1-CG2 3.79Å; Y498-P511 WeakPolarHBondContact OH-CD 3.48Å
499	R	94.4	Very high	95.3	Very high	185 Å²	185	47.7 Å²	47.7	70%	0.698	23%	0.233	S	C	*	.	H	α-helix	trans	-59.7	-48.3	177.7	-69.6	173.2	-173.2	-160.5	2.1	111.6	D495 G503 M580	D495-R499 VanDerWaalsContact O-CG 3.29Å; D495-R499 WeakPolarHBondContact O-CG 3.48Å; D495-R499 PolarHBondContact O-N 2.93Å; D495-R499 VanDerWaalsContact O-N 3.17Å; R499-G503 PolarHBondContact O-N 3.28Å; R499-M580 HydrophobicContact CB-CE 3.89Å
500	A	94	Very high	95.3	Very high	9 Å²	9	51.1 Å²	51.1	7%	0.074	26%	0.26	C	S	.	.	H	α-helix	trans	-68	-41.2	-178.6	0	0	0	0	0	113.3	S496 L497 M580 A583	S496-A500 VanDerWaalsContact O-CB 3.25Å; S496-A500 WeakPolarHBondContact O-CB 3.37Å; S496-A500 PolarHBondContact O-N 3.43Å; L497-A500 PolarHBondContact O-N 2.82Å; A500-M580 HydrophobicContact CB-CE 4.06Å; A500-A583 HydrophobicContact CB-CB 4.02Å
501	A	94.9	Very high	95.3	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-67.9	-42	179.8	0	0	0	0	0	112	L497 G503 M504 G505 L506 I508 A587	L497-A501 WeakPolarHBondContact O-CB 3.44Å; L497-A501 PolarHBondContact O-N 3.37Å; A501-G503 PolarHBondContact O-N 2.82Å; A501-M504 CarbonylContact O-C 3.23Å; A501-M504 PolarHBondContact O-N 3Å; A501-M504 VanDerWaalsContact O-N 3.12Å; A501-G505 PolarHBondContact O-N 2.92Å; A501-L506 CarbonylContact C-O 3.06Å; A501-L506 VanDerWaalsContact C-O 3.25Å; A501-L506 HydrophobicContact CB-CB 4.14Å; A501-L506 HydrophobicContact CB-CD2 4.27Å; A501-L506 HydrophobicContact CB-CG 4.33Å; A501-L506 WeakPolarHBondContact CB-O 3.48Å; A501-L506 PolarHBondContact O-N 2.95Å; A501-I508 HydrophobicContact CB-CD1 3.37Å; A501-I508 HydrophobicContact CB-CG1 3.76Å; A501-A587 HydrophobicContact CB-CB 3.82Å
502	S	91.8	Very high	95.3	Very high	73 Å²	73	48.9 Å²	48.9	51%	0.51	26%	0.257	S	S	.	.	H	α-helix	trans	-61.7	-42.9	-179.9	-57.6	0	0	0	0	112.2	Y498 M504 G505	Y498-S502 VanDerWaalsContact O-CB 3.29Å; Y498-S502 WeakPolarHBondContact O-CB 3.45Å; Y498-S502 PolarHBondContact O-N 3.39Å; Y498-S502 PolarHBondContact O-OG 3.22Å; S502-M504 PolarHBondContact O-N 2.75Å; S502-G505 PolarHBondContact O-N 3.02Å
503	G	88.1	Confident	95.3	Very high	45 Å²	45	50.8 Å²	50.8	46%	0.464	26%	0.263	S	S	.	.	H	α-helix	trans	-59.6	-34.3	175.1	0	0	0	0	0	113.4	R499 A501 G505	R499-G503 PolarHBondContact O-N 3.28Å; A501-G503 PolarHBondContact O-N 2.82Å; G503-G505 VanDerWaalsContact C-N 3.32Å; G503-G505 PolarHBondContact O-N 2.92Å
504	M	93.1	Very high	95.3	Very high	2 Å²	2	52.8 Å²	52.8	1%	0.01	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	6	176.4	-64	-173.4	-61.2	0	0	114.2	F462 R466 M467 A501 S502 L506 T584 A587 I588	F462-M504 HydrophobicContact CB-SD 4.24Å; F462-M504 HydrophobicContact CD1-SD 4.12Å; R466-M504 WeakPolarHBondContact CA-O 3.5Å; M467-M504 HydrophobicContact CE-CB 4Å; M467-M504 HydrophobicContact CE-CE 4.35Å; M467-M504 HydrophobicContact CG-CB 4.23Å; M467-M504 PolarHBondContact N-O 3.43Å; A501-M504 CarbonylContact O-C 3.23Å; A501-M504 PolarHBondContact O-N 3Å; A501-M504 VanDerWaalsContact O-N 3.12Å; S502-M504 PolarHBondContact O-N 2.75Å; M504-L506 VanDerWaalsContact C-N 3.35Å; M504-T584 HydrophobicContact CE-CG2 3.98Å; M504-T584 WeakPolarHBondContact CE-O 3.25Å; M504-T584 HydrophobicContact SD-CG2 3.54Å; M504-T584 VanDerWaalsContact SD-CG2 3.54Å; M504-A587 HydrophobicContact CE-CB 3.45Å; M504-A587 VanDerWaalsContact CE-CB 3.45Å; M504-I588 HydrophobicContact CE-CG1 3.9Å; M504-I588 HydrophobicContact SD-CD1 3.97Å; M504-I588 HydrophobicContact SD-CG1 3.63Å
505	G	93.5	Very high	95.2	Very high	27 Å²	27	55.6 Å²	55.6	28%	0.278	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.2	0.6	-179.7	0	0	0	0	0	115.7	A501 S502 G503 R507	A501-G505 PolarHBondContact O-N 2.92Å; S502-G505 PolarHBondContact O-N 3.02Å; G503-G505 VanDerWaalsContact C-N 3.32Å; G503-G505 PolarHBondContact O-N 2.92Å; G505-R507 PolarHBondContact O-N 2.64Å
506	L	95.7	Very high	95.2	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.268	C	S	.	.			trans	-84.9	99.1	174	177.9	65.6	0	0	0	109.8	M467 T470 P471 A501 M504 I508 N591	M467-L506 HydrophobicContact CE-CB 3.68Å; M467-L506 HydrophobicContact CE-CD2 4.35Å; T470-L506 HydrophobicContact CG2-CB 4.45Å; P471-L506 HydrophobicContact CG-CD1 4Å; A501-L506 CarbonylContact C-O 3.06Å; A501-L506 VanDerWaalsContact C-O 3.25Å; A501-L506 HydrophobicContact CB-CB 4.14Å; A501-L506 HydrophobicContact CB-CD2 4.27Å; A501-L506 HydrophobicContact CB-CG 4.33Å; A501-L506 WeakPolarHBondContact CB-O 3.48Å; A501-L506 PolarHBondContact O-N 2.95Å; M504-L506 VanDerWaalsContact C-N 3.35Å; L506-I508 HydrophobicContact CD2-CD1 4.05Å; L506-I508 HydrophobicContact CD2-CG1 4.16Å; L506-I508 HydrophobicContact CG-CD1 4.39Å; L506-I508 HydrophobicContact CG-CG1 3.96Å; L506-I508 PolarHBondContact O-N 3.07Å; L506-N591 HydrophobicContact CD2-CB 4.32Å
507	R	95.7	Very high	95.1	Very high	126 Å²	126	61.8 Å²	61.8	48%	0.475	30%	0.303	S	S	.	.			trans	-65.3	118.1	171.2	-176	174	72.2	-166	1.2	109.7	S472 D473 G474 L475 G505	S472-R507 PolarHBondContact O-NH2 2.8Å; D473-R507 PolarHBondContact O-NE 2.98Å; D473-R507 PolarHBondContact O-NH2 3.06Å; G474-R507 CarbonylContact C-O 3.58Å; G474-R507 WeakPolarHBondContact CA-O 3.23Å; L475-R507 PolarHBondContact N-O 3.34Å; G505-R507 PolarHBondContact O-N 2.64Å
508	I	96.5	Very high	94.9	Very high	18 Å²	18	63.5 Å²	63.5	9%	0.092	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-113.8	127.3	173	-58.7	-175.3	0	0	0	108	L475 W478 L497 Y498 A501 L506 L590	L475-I508 HydrophobicContact CB-CB 4.49Å; L475-I508 HydrophobicContact CB-CG1 4.15Å; L475-I508 HydrophobicContact CB-CG2 4.38Å; L475-I508 HydrophobicContact CD2-CG2 4.35Å; W478-I508 HydrophobicContact CH2-CG2 4.42Å; W478-I508 HydrophobicContact CZ2-CG2 3.47Å; W478-I508 VanDerWaalsContact CZ2-CG2 3.47Å; L497-I508 HydrophobicContact CD2-CD1 4.32Å; L497-I508 HydrophobicContact CG-CD1 4.06Å; Y498-I508 HydrophobicContact CD1-CB 4.13Å; Y498-I508 HydrophobicContact CD1-CG2 3.87Å; Y498-I508 HydrophobicContact CE1-CG2 3.79Å; A501-I508 HydrophobicContact CB-CD1 3.37Å; A501-I508 HydrophobicContact CB-CG1 3.76Å; L506-I508 HydrophobicContact CD2-CD1 4.05Å; L506-I508 HydrophobicContact CD2-CG1 4.16Å; L506-I508 HydrophobicContact CG-CD1 4.39Å; L506-I508 HydrophobicContact CG-CG1 3.96Å; L506-I508 PolarHBondContact O-N 3.07Å; I508-L590 HydrophobicContact CD1-CD1 4.27Å
509	R	95.8	Very high	94.7	Very high	133 Å²	133	63 Å²	63	50%	0.502	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-89	168.7	171.4	-64	-170.1	178.1	164.5	-2.5	110.5	L475 W478	L475-R509 PolarHBondContact O-N 2.88Å; W478-R509 PolarHBondContact NE1-O 3.38Å
510	S	96.1	Very high	94.8	Very high	98 Å²	98	62.5 Å²	62.5	69%	0.685	31%	0.311	S	S	*	.	P	Polyproline II helix	trans	-59.7	135.4	173.8	-54.3	0	0	0	0	111.4
511	P	97.2	Very high	94.9	Very high	16 Å²	16	63.5 Å²	63.5	10%	0.104	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-77	164.3	178	30.5	-33.7	0	0	0	112.4	W478 V480 L494 Y498 E513	W478-P511 HydrophobicContact CD2-CB 3.81Å; W478-P511 HydrophobicContact CE3-CB 4.16Å; W478-P511 HydrophobicContact CG-CB 4.32Å; W478-P511 HydrophobicContact CH2-CB 4.17Å; W478-P511 HydrophobicContact CH2-CG 4.16Å; W478-P511 HydrophobicContact CZ2-CB 3.79Å; W478-P511 HydrophobicContact CZ2-CG 3.85Å; W478-P511 HydrophobicContact CZ3-CB 4.33Å; W478-P511 WeakPolarHBondContact O-CA 3.47Å; V480-P511 HydrophobicContact CB-CB 4.27Å; V480-P511 HydrophobicContact CB-CG 4.27Å; V480-P511 HydrophobicContact CG2-CB 3.63Å; V480-P511 HydrophobicContact CG2-CG 3.59Å; L494-P511 HydrophobicContact CD1-CG 4.2Å; L494-P511 HydrophobicContact CD2-CG 4.47Å; Y498-P511 WeakPolarHBondContact OH-CD 3.48Å; P511-E513 PolarHBondContact O-N 3.35Å
512	Q	97	Very high	95	Very high	91 Å²	91	65.4 Å²	65.4	43%	0.425	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	117.5	157.5	-168.9	176.2	6.7	0	0	109.4	W478 A479 V480 F514 S534	W478-Q512 PolarHBondContact O-N 2.78Å; A479-Q512 VanDerWaalsContact CA-O 3.28Å; A479-Q512 WeakPolarHBondContact CA-O 3.28Å; A479-Q512 HydrophobicContact CB-CB 4.19Å; A479-Q512 WeakPolarHBondContact CB-O 3.36Å; V480-Q512 PolarHBondContact N-O 2.8Å; Q512-F514 HydrophobicContact CB-CE2 4.32Å; Q512-F514 HydrophobicContact CG-CD2 4.13Å; Q512-F514 HydrophobicContact CG-CE2 3.62Å; Q512-F514 HydrophobicContact CG-CZ 4.39Å; Q512-S534 PolarHBondContact OE1-OG 3.31Å
513	E	95.9	Very high	95.2	Very high	91 Å²	91	62.7 Å²	62.7	43%	0.425	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	118.6	178.8	-67	-170.5	-171.6	0	0	111.6	P511 I515	P511-E513 PolarHBondContact O-N 3.35Å; E513-I515 HydrophobicContact CB-CD1 4.46Å
514	F	96.6	Very high	95.7	Very high	43 Å²	43	60.6 Å²	60.6	19%	0.189	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	90.2	171.2	-79.5	-93.4	0	0	0	109.3	A479 V480 I481 A482 Q512 D530 C531	A479-F514 HydrophobicContact CB-CD2 4.32Å; A479-F514 HydrophobicContact CB-CE2 4.44Å; V480-F514 PolarHBondContact O-N 2.71Å; I481-F514 WeakPolarHBondContact CA-O 3.4Å; I481-F514 HydrophobicContact CG1-CB 3.98Å; A482-F514 PolarHBondContact N-O 2.92Å; Q512-F514 HydrophobicContact CB-CE2 4.32Å; Q512-F514 HydrophobicContact CG-CD2 4.13Å; Q512-F514 HydrophobicContact CG-CE2 3.62Å; Q512-F514 HydrophobicContact CG-CZ 4.39Å; F514-D530 HydrophobicContact CE1-CB 4.36Å; F514-C531 HydrophobicContact CD2-CB 3.92Å; F514-C531 HydrophobicContact CE1-CB 4.23Å; F514-C531 HydrophobicContact CE2-CB 3.5Å; F514-C531 VanDerWaalsContact CE2-CB 3.5Å; F514-C531 HydrophobicContact CG-CB 4.43Å; F514-C531 HydrophobicContact CZ-CB 3.69Å
515	I	97.1	Very high	95.9	Very high	62 Å²	62	61.5 Å²	61.5	32%	0.318	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	119.6	178.3	-55.7	-55.9	0	0	0	109.7	A482 Q484 L490 E513	A482-I515 WeakPolarHBondContact O-CA 3.39Å; Q484-I515 VanDerWaalsContact CA-CG2 3.46Å; Q484-I515 HydrophobicContact CB-CG2 3.61Å; Q484-I515 HydrophobicContact CG-CG2 4.01Å; L490-I515 HydrophobicContact CD2-CD1 4.45Å; E513-I515 HydrophobicContact CB-CD1 4.46Å
516	I	96.9	Very high	96	Very high	15 Å²	15	67.7 Å²	67.7	8%	0.077	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	145.9	-179.6	59	175.7	0	0	0	111.7	I481 A482 P483 Q484 D518 Y524 A527	I481-I516 HydrophobicContact CG2-CD1 4.13Å; I481-I516 HydrophobicContact CG2-CG2 4.21Å; A482-I516 WeakPolarHBondContact O-CG1 3.42Å; A482-I516 PolarHBondContact O-N 3.12Å; P483-I516 CarbonylContact C-O 3.56Å; P483-I516 VanDerWaalsContact CA-O 3.27Å; P483-I516 WeakPolarHBondContact CA-O 3.24Å; P483-I516 HydrophobicContact CG-CG1 4.42Å; Q484-I516 PolarHBondContact N-O 3.4Å; I516-D518 WeakPolarHBondContact CD1-O 3.41Å; I516-D518 VanDerWaalsContact CG1-O 3.31Å; I516-D518 WeakPolarHBondContact CG1-O 3.5Å; I516-Y524 HydrophobicContact CD1-CD1 4.02Å; I516-Y524 HydrophobicContact CD1-CD2 3.82Å; I516-Y524 HydrophobicContact CD1-CE1 3.95Å; I516-Y524 HydrophobicContact CD1-CE2 3.73Å; I516-Y524 HydrophobicContact CD1-CG 3.96Å; I516-A527 HydrophobicContact CG2-CB 3.77Å
517	Y	94	Very high	96.1	Very high	213 Å²	213	68 Å²	68	84%	0.835	32%	0.318	S	S	*	.	S	Bend	trans	-72.3	-30.2	-176.2	-58.8	-69.5	0	0	0	114
518	D	92.4	Very high	96.2	Very high	36 Å²	36	62.2 Å²	62.2	19%	0.193	30%	0.296	C	S	.	.	S	Bend	trans	-133.3	176.2	178.9	72.7	43.2	0	0	0	112.2	I516 R520 T523	I516-D518 WeakPolarHBondContact CD1-O 3.41Å; I516-D518 VanDerWaalsContact CG1-O 3.31Å; I516-D518 WeakPolarHBondContact CG1-O 3.5Å; D518-R520 VanDerWaalsContact OD1-CB 3.28Å; D518-R520 WeakPolarHBondContact OD1-CB 3.36Å; D518-R520 PolarHBondContact OD1-N 2.99Å; D518-R520 IonicContact OD1-NE 3.77Å; D518-R520 IonicContact OD2-CZ 3.23Å; D518-R520 VanDerWaalsContact OD2-CZ 3.23Å; D518-R520 IonicContact OD2-NE 2.73Å; D518-R520 PolarHBondContact OD2-NE 2.83Å; D518-R520 IonicContact OD2-NH2 2.87Å; D518-R520 PolarHBondContact OD2-NH2 3.28Å; D518-T523 WeakPolarHBondContact OD1-CB 3.25Å; D518-T523 WeakPolarHBondContact OD1-CG2 3.48Å; D518-T523 PolarHBondContact OD1-OG1 2.67Å
519	D	92.6	Very high	96.1	Very high	41 Å²	41	63.4 Å²	63.4	22%	0.219	30%	0.302	C	S	.	.			trans	-107.4	18.9	-179.5	67.4	-11.5	0	0	0	114.1	P483 R485 Y524 P544 R550	P483-D519 HydrophobicContact CG-CB 4.13Å; R485-D519 IonicContact CZ-OD2 3.65Å; R485-D519 IonicContact NH1-OD2 3.78Å; R485-D519 IonicContact NH2-OD2 2.71Å; R485-D519 PolarHBondContact NH2-OD2 3.39Å; D519-Y524 HydrophobicContact CB-CE2 4.37Å; D519-P544 HydrophobicContact CB-CG 3.87Å; D519-P544 VanDerWaalsContact OD2-CG 3.31Å; D519-P544 WeakPolarHBondContact OD2-CG 3.49Å; D519-R550 VanDerWaalsContact O-CZ 3.23Å; D519-R550 PolarHBondContact O-NE 2.92Å; D519-R550 PolarHBondContact O-NH2 3.49Å; D519-R550 IonicContact OD2-NH2 2.99Å
520	R	95.3	Very high	96.1	Very high	174 Å²	174	60.4 Å²	60.4	66%	0.657	30%	0.296	S	S	*	.			trans	-66.4	150.2	179.3	-67.9	-172.8	-102.4	-150.8	-10.3	111.3	D518 G522 T523 Y524	D518-R520 VanDerWaalsContact OD1-CB 3.28Å; D518-R520 WeakPolarHBondContact OD1-CB 3.36Å; D518-R520 PolarHBondContact OD1-N 2.99Å; D518-R520 IonicContact OD1-NE 3.77Å; D518-R520 IonicContact OD2-CZ 3.23Å; D518-R520 VanDerWaalsContact OD2-CZ 3.23Å; D518-R520 IonicContact OD2-NE 2.73Å; D518-R520 PolarHBondContact OD2-NE 2.83Å; D518-R520 IonicContact OD2-NH2 2.87Å; D518-R520 PolarHBondContact OD2-NH2 3.28Å; R520-G522 PolarHBondContact O-N 3.15Å; R520-T523 PolarHBondContact N-OG1 3.14Å; R520-T523 PolarHBondContact O-N 2.94Å; R520-T523 PolarHBondContact O-OG1 3.14Å; R520-Y524 WeakPolarHBondContact O-CD2 3.21Å
521	T	96.2	Very high	95.9	Very high	29 Å²	29	55.7 Å²	55.7	18%	0.178	26%	0.264	C	S	.	.	H	α-helix	trans	-54.2	-42.3	177.4	-54.5	0	0	0	0	111.9	T523 V525 E549 S553	T521-T523 PolarHBondContact O-N 3.09Å; T521-V525 WeakPolarHBondContact O-CG2 3.3Å; T521-V525 PolarHBondContact O-N 3.12Å; T521-E549 PolarHBondContact OG1-OE1 2.88Å; T521-E549 VanDerWaalsContact OG1-OE1 3.08Å; T521-S553 VanDerWaalsContact CG2-OG 3.31Å; T521-S553 WeakPolarHBondContact CG2-OG 3.25Å
522	G	96.7	Very high	95.7	Very high	40 Å²	40	56.1 Å²	56.1	41%	0.412	27%	0.266	S	S	.	.	H	α-helix	trans	-70.6	-17.8	-178.6	0	0	0	0	0	116.5	R520 R526	R520-G522 PolarHBondContact O-N 3.15Å; G522-R526 WeakPolarHBondContact O-CG 3.07Å; G522-R526 PolarHBondContact O-N 2.82Å; G522-R526 PolarHBondContact O-NE 2.93Å
523	T	96.9	Very high	95.5	Very high	17 Å²	17	61 Å²	61	10%	0.104	28%	0.28	C	S	.	.	H	α-helix	trans	-81.9	-42.3	173.9	39.5	0	0	0	0	111.4	D518 R520 T521 V525 R526 A527	D518-T523 WeakPolarHBondContact OD1-CB 3.25Å; D518-T523 WeakPolarHBondContact OD1-CG2 3.48Å; D518-T523 PolarHBondContact OD1-OG1 2.67Å; R520-T523 PolarHBondContact N-OG1 3.14Å; R520-T523 PolarHBondContact O-N 2.94Å; R520-T523 PolarHBondContact O-OG1 3.14Å; T521-T523 PolarHBondContact O-N 3.09Å; T523-V525 VanDerWaalsContact C-N 3.3Å; T523-V525 PolarHBondContact O-N 2.76Å; T523-R526 PolarHBondContact O-N 2.91Å; T523-A527 WeakPolarHBondContact O-CB 3.48Å; T523-A527 PolarHBondContact O-N 2.96Å
524	Y	98	Very high	95.3	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-57.5	-43.5	169.7	-74.6	-88.8	0	0	0	112	I481 P483 I516 D519 R520 A527 M528 C541 L542 V543 R550 I554	I481-Y524 HydrophobicContact CB-CD1 4.49Å; I481-Y524 HydrophobicContact CG2-CD1 3.73Å; I481-Y524 HydrophobicContact CG2-CE1 4.13Å; P483-Y524 WeakPolarHBondContact CD-OH 3.34Å; P483-Y524 VanDerWaalsContact CG-OH 3.31Å; P483-Y524 WeakPolarHBondContact CG-OH 3.25Å; I516-Y524 HydrophobicContact CD1-CD1 4.02Å; I516-Y524 HydrophobicContact CD1-CD2 3.82Å; I516-Y524 HydrophobicContact CD1-CE1 3.95Å; I516-Y524 HydrophobicContact CD1-CE2 3.73Å; I516-Y524 HydrophobicContact CD1-CG 3.96Å; D519-Y524 HydrophobicContact CB-CE2 4.37Å; R520-Y524 WeakPolarHBondContact O-CD2 3.21Å; Y524-A527 PolarHBondContact O-N 3.09Å; Y524-M528 WeakPolarHBondContact O-CB 3.28Å; Y524-M528 VanDerWaalsContact O-CG 3.3Å; Y524-M528 WeakPolarHBondContact O-CG 3.47Å; Y524-M528 PolarHBondContact O-N 3.01Å; Y524-C541 HydrophobicContact CD1-CB 4.26Å; Y524-C541 HydrophobicContact CE1-CB 4.28Å; Y524-L542 PolarHBondContact OH-O 2.91Å; Y524-V543 HydrophobicContact CE1-CG1 4.18Å; Y524-R550 HydrophobicContact CD2-CG 4.23Å; Y524-I554 HydrophobicContact CD1-CD1 3.98Å; Y524-I554 HydrophobicContact CG-CD1 4.08Å
525	V	97.3	Very high	95.2	Very high	21 Å²	21	61.3 Å²	61.3	13%	0.127	29%	0.29	C	S	.	.	H	α-helix	trans	-62	-48.8	179.9	169	0	0	0	0	111.5	T521 T523 M528 D529 R557	T521-V525 WeakPolarHBondContact O-CG2 3.3Å; T521-V525 PolarHBondContact O-N 3.12Å; T523-V525 VanDerWaalsContact C-N 3.3Å; T523-V525 PolarHBondContact O-N 2.76Å; V525-M528 WeakPolarHBondContact O-CB 3.37Å; V525-M528 PolarHBondContact O-N 2.99Å; V525-D529 PolarHBondContact O-N 2.64Å; V525-R557 HydrophobicContact CB-CG 4.48Å; V525-R557 HydrophobicContact CG1-CG 3.87Å; V525-R557 VanDerWaalsContact CG1-NE 3.34Å; V525-R557 HydrophobicContact CG2-CG 4.01Å
526	R	96.9	Very high	95.2	Very high	158 Å²	158	58.7 Å²	58.7	60%	0.596	28%	0.277	S	S	*	.	H	α-helix	trans	-61.3	-47.4	176.9	-74.9	-177.9	-70.1	166	-0.9	112.1	G522 T523 M528 D529 D530	G522-R526 WeakPolarHBondContact O-CG 3.07Å; G522-R526 PolarHBondContact O-N 2.82Å; G522-R526 PolarHBondContact O-NE 2.93Å; T523-R526 PolarHBondContact O-N 2.91Å; R526-M528 PolarHBondContact O-N 3.42Å; R526-D529 PolarHBondContact O-N 3.15Å; R526-D530 PolarHBondContact O-N 3.02Å
527	A	97.2	Very high	95.2	Very high	7 Å²	7	61 Å²	61	6%	0.058	29%	0.286	C	S	.	.	H	α-helix	trans	-59.7	-34.1	176.5	0	0	0	0	0	112.6	I481 I516 T523 Y524 C531	I481-A527 HydrophobicContact CD1-CB 4.08Å; I481-A527 HydrophobicContact CG1-CB 4.4Å; I481-A527 HydrophobicContact CG2-CB 3.94Å; I516-A527 HydrophobicContact CG2-CB 3.77Å; T523-A527 WeakPolarHBondContact O-CB 3.48Å; T523-A527 PolarHBondContact O-N 2.96Å; Y524-A527 PolarHBondContact O-N 3.09Å; A527-C531 WeakPolarHBondContact O-CB 3.43Å; A527-C531 PolarHBondContact O-N 3.21Å
528	M	97.2	Very high	95.4	Very high	3 Å²	3	50.9 Å²	50.9	2%	0.015	25%	0.247	C	C	.	.	H	α-helix	trans	-66.8	-46	171	-74.3	-179.3	68.4	0	0	112.1	I481 Y524 V525 R526 D530 C531 V532 I554 R557 T566	I481-M528 HydrophobicContact CD1-CB 4.24Å; I481-M528 HydrophobicContact CD1-CG 3.39Å; Y524-M528 WeakPolarHBondContact O-CB 3.28Å; Y524-M528 VanDerWaalsContact O-CG 3.3Å; Y524-M528 WeakPolarHBondContact O-CG 3.47Å; Y524-M528 PolarHBondContact O-N 3.01Å; V525-M528 WeakPolarHBondContact O-CB 3.37Å; V525-M528 PolarHBondContact O-N 2.99Å; R526-M528 PolarHBondContact O-N 3.42Å; M528-D530 VanDerWaalsContact C-N 3.35Å; M528-D530 PolarHBondContact O-N 3.02Å; M528-C531 PolarHBondContact O-N 3.23Å; M528-V532 WeakPolarHBondContact O-CG2 3.13Å; M528-V532 PolarHBondContact O-N 2.87Å; M528-I554 HydrophobicContact CE-CG2 4.43Å; M528-I554 WeakPolarHBondContact CE-O 3.33Å; M528-I554 HydrophobicContact SD-CB 4.22Å; M528-I554 HydrophobicContact SD-CG1 4.21Å; M528-I554 HydrophobicContact SD-CG2 3.87Å; M528-R557 HydrophobicContact CE-CB 4.26Å; M528-T566 HydrophobicContact CE-CG2 3.9Å
529	D	95.3	Very high	95.7	Very high	43 Å²	43	49.1 Å²	49.1	23%	0.23	24%	0.237	C	C	.	.	H	α-helix	trans	-64.5	-36	179.5	-80.6	-51	0	0	0	113	V525 R526 R562	V525-D529 PolarHBondContact O-N 2.64Å; R526-D529 PolarHBondContact O-N 3.15Å; D529-R562 IonicContact OD1-CZ 3.04Å; D529-R562 IonicContact OD1-NE 2.68Å; D529-R562 PolarHBondContact OD1-NE 3.01Å; D529-R562 VanDerWaalsContact OD1-NE 3.16Å; D529-R562 IonicContact OD1-NH2 2.79Å; D529-R562 PolarHBondContact OD1-NH2 2.87Å
530	D	94.6	Very high	96	Very high	70 Å²	70	47.2 Å²	47.2	37%	0.374	23%	0.227	S	C	.	.	H	α-helix	trans	-71.3	-43.3	172.4	-65.9	-44.4	0	0	0	111.5	F514 R526 M528 V532 R533	F514-D530 HydrophobicContact CE1-CB 4.36Å; R526-D530 PolarHBondContact O-N 3.02Å; M528-D530 VanDerWaalsContact C-N 3.35Å; M528-D530 PolarHBondContact O-N 3.02Å; D530-V532 PolarHBondContact O-N 2.91Å; D530-R533 WeakPolarHBondContact O-CB 3.27Å; D530-R533 WeakPolarHBondContact O-CG 3.38Å; D530-R533 PolarHBondContact O-N 2.77Å; D530-R533 IonicContact OD1-CZ 3.22Å; D530-R533 VanDerWaalsContact OD1-CZ 3.22Å; D530-R533 IonicContact OD1-NH1 3.37Å; D530-R533 PolarHBondContact OD1-NH1 2.98Å; D530-R533 IonicContact OD1-NH2 2.67Å; D530-R533 PolarHBondContact OD1-NH2 3.36Å
531	C	93.4	Very high	96.2	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-64.2	-34.4	178.4	173.4	0	0	0	0	113.7	A479 F514 A527 M528 R533 S534 P536 I539	A479-C531 WeakPolarHBondContact CB-SG 3.29Å; F514-C531 HydrophobicContact CD2-CB 3.92Å; F514-C531 HydrophobicContact CE1-CB 4.23Å; F514-C531 HydrophobicContact CE2-CB 3.5Å; F514-C531 VanDerWaalsContact CE2-CB 3.5Å; F514-C531 HydrophobicContact CG-CB 4.43Å; F514-C531 HydrophobicContact CZ-CB 3.69Å; A527-C531 WeakPolarHBondContact O-CB 3.43Å; A527-C531 PolarHBondContact O-N 3.21Å; M528-C531 PolarHBondContact O-N 3.23Å; C531-R533 PolarHBondContact O-N 2.8Å; C531-R533 VanDerWaalsContact O-N 3.15Å; C531-S534 PolarHBondContact O-N 2.73Å; C531-S534 VanDerWaalsContact O-N 3.15Å; C531-S534 PolarHBondContact O-OG 3.12Å; C531-P536 WeakPolarHBondContact O-CD 3.39Å; C531-I539 HydrophobicContact CB-CD1 4.47Å
532	V	93.1	Very high	96.3	Very high	25 Å²	25	37.6 Å²	37.6	15%	0.152	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-62.8	-21.8	179.8	168.6	0	0	0	0	111.8	M528 D530 S534 D535 I539 R562 V564	M528-V532 WeakPolarHBondContact O-CG2 3.13Å; M528-V532 PolarHBondContact O-N 2.87Å; D530-V532 PolarHBondContact O-N 2.91Å; V532-S534 PolarHBondContact O-N 3.38Å; V532-D535 PolarHBondContact O-N 3.33Å; V532-I539 HydrophobicContact CG2-CD1 4.06Å; V532-R562 HydrophobicContact CG2-CG 4.34Å; V532-V564 HydrophobicContact CG1-CG2 4.46Å; V532-V564 HydrophobicContact CG2-CG2 4.11Å
533	R	91.9	Very high	96.3	Very high	192 Å²	192	36.1 Å²	36.1	73%	0.725	17%	0.17	S	C	*	.	G	3₁₀ helix	trans	-64.6	-16.6	175.9	-55.8	-177	-166.8	144.7	17.2	114.3	D530 C531 D535	D530-R533 WeakPolarHBondContact O-CB 3.27Å; D530-R533 WeakPolarHBondContact O-CG 3.38Å; D530-R533 PolarHBondContact O-N 2.77Å; D530-R533 IonicContact OD1-CZ 3.22Å; D530-R533 VanDerWaalsContact OD1-CZ 3.22Å; D530-R533 IonicContact OD1-NH1 3.37Å; D530-R533 PolarHBondContact OD1-NH1 2.98Å; D530-R533 IonicContact OD1-NH2 2.67Å; D530-R533 PolarHBondContact OD1-NH2 3.36Å; C531-R533 PolarHBondContact O-N 2.8Å; C531-R533 VanDerWaalsContact O-N 3.15Å; R533-D535 VanDerWaalsContact C-N 3.35Å
534	S	91.9	Very high	96.2	Very high	37 Å²	37	36.4 Å²	36.4	26%	0.259	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-94	11.7	171.9	64.9	0	0	0	0	113.4	R477 Q512 C531 V532	R477-S534 WeakPolarHBondContact CD-O 3.06Å; R477-S534 PolarHBondContact NE-O 3.12Å; R477-S534 VanDerWaalsContact NE-O 3.1Å; Q512-S534 PolarHBondContact OE1-OG 3.31Å; C531-S534 PolarHBondContact O-N 2.73Å; C531-S534 VanDerWaalsContact O-N 3.15Å; C531-S534 PolarHBondContact O-OG 3.12Å; V532-S534 PolarHBondContact O-N 3.38Å
535	D	95.1	Very high	96	Very high	105 Å²	105	40.5 Å²	40.5	56%	0.561	19%	0.194	S	C	*	.			trans	45.3	52.4	-178.7	-70.2	-28.1	0	0	0	114.4	R477 V532 R533 K537	R477-D535 PolarHBondContact NE-O 3.06Å; R477-D535 PolarHBondContact NH2-O 3.35Å; V532-D535 PolarHBondContact O-N 3.33Å; R533-D535 VanDerWaalsContact C-N 3.35Å; D535-K537 PolarHBondContact O-N 3.06Å
536	P	96.9	Very high	95.7	Very high	6 Å²	6	46.6 Å²	46.6	4%	0.039	23%	0.227	C	C	.	.			trans	-63.6	134.2	-178.2	28	-36.3	0	0	0	111.6	A479 C531 L538 I539 V564	A479-P536 HydrophobicContact CB-CB 4.48Å; C531-P536 WeakPolarHBondContact O-CD 3.39Å; P536-L538 PolarHBondContact O-N 3.49Å; P536-I539 HydrophobicContact CB-CG1 4.21Å; P536-I539 HydrophobicContact CG-CD1 3.94Å; P536-I539 HydrophobicContact CG-CG1 3.75Å; P536-V564 HydrophobicContact CG-CG1 4.33Å
537	K	97.1	Very high	95.5	Very high	64 Å²	64	41.7 Å²	41.7	28%	0.278	21%	0.212	S	C	.	.	S	Bend	trans	-63.1	-24.8	173.4	-63.9	-175.6	-178.9	167.3	0	111.8	D473 L475 D476 R477 D535 L594	D473-K537 IonicContact OD2-NZ 2.82Å; D473-K537 PolarHBondContact OD2-NZ 2.96Å; L475-K537 HydrophobicContact CD1-CB 4.1Å; D476-K537 WeakPolarHBondContact OD1-CD 3.39Å; D476-K537 WeakPolarHBondContact OD1-CE 3.37Å; D476-K537 IonicContact OD1-NZ 3.66Å; D476-K537 PolarHBondContact OD1-NZ 3.2Å; D476-K537 IonicContact OD2-NZ 2.73Å; D476-K537 PolarHBondContact OD2-NZ 3.49Å; R477-K537 WeakPolarHBondContact O-CB 3.47Å; R477-K537 PolarHBondContact O-N 3.28Å; D535-K537 PolarHBondContact O-N 3.06Å; K537-L594 HydrophobicContact CB-CD2 3.87Å
538	L	98.4	Very high	95.2	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.234	C	C	.	.			trans	-157.7	149.7	176.3	-172	136.8	0	0	0	111.8	L475 W478 A479 P536 L540 P565 Q567 L590 K593 L594	L475-L538 HydrophobicContact CD1-CB 4.24Å; W478-L538 WeakPolarHBondContact CA-O 3.08Å; W478-L538 HydrophobicContact CB-CB 4.48Å; W478-L538 VanDerWaalsContact CB-O 3.32Å; W478-L538 WeakPolarHBondContact CB-O 3.44Å; W478-L538 HydrophobicContact CE3-CD2 4.27Å; A479-L538 PolarHBondContact N-O 3.42Å; A479-L538 VanDerWaalsContact N-O 3.09Å; P536-L538 PolarHBondContact O-N 3.49Å; L538-L540 HydrophobicContact CD2-CB 4.4Å; L538-P565 WeakPolarHBondContact CA-O 3.48Å; L538-P565 HydrophobicContact CD1-CB 4.37Å; L538-Q567 HydrophobicContact CD2-CB 4.24Å; L538-L590 HydrophobicContact CD1-CB 4.49Å; L538-L590 HydrophobicContact CD1-CD2 3.61Å; L538-L590 HydrophobicContact CD2-CD2 3.75Å; L538-L590 HydrophobicContact CG-CD2 4.35Å; L538-K593 HydrophobicContact CD1-CB 3.91Å; L538-K593 HydrophobicContact CD1-CD 4.35Å; L538-L594 HydrophobicContact CB-CD2 4.41Å
539	I	98.6	Very high	95	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	129.3	170	-59.3	171.6	0	0	0	110.1	A479 I481 C531 V532 P536 V564 P565 T566 Q567	A479-I539 CarbonylContact O-C 3.54Å; A479-I539 WeakPolarHBondContact O-CA 3.41Å; I481-I539 HydrophobicContact CD1-CG2 3.72Å; I481-I539 HydrophobicContact CG1-CG2 4.07Å; C531-I539 HydrophobicContact CB-CD1 4.47Å; V532-I539 HydrophobicContact CG2-CD1 4.06Å; P536-I539 HydrophobicContact CB-CG1 4.21Å; P536-I539 HydrophobicContact CG-CD1 3.94Å; P536-I539 HydrophobicContact CG-CG1 3.75Å; I539-V564 HydrophobicContact CD1-CG1 3.88Å; I539-V564 HydrophobicContact CG1-CG1 3.87Å; I539-P565 PolarHBondContact N-O 3.31Å; I539-T566 HydrophobicContact CB-CG2 4.36Å; I539-T566 CarbonylContact O-C 3.57Å; I539-T566 WeakPolarHBondContact O-CA 3.47Å; I539-Q567 PolarHBondContact O-N 3.3Å
540	L	98.7	Very high	95	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	121.1	174	-175	157.2	0	0	0	110.8	W478 A479 V480 I481 L493 L497 L538 Q567 V569	W478-L540 HydrophobicContact CZ3-CB 4.05Å; W478-L540 HydrophobicContact CZ3-CD1 4.27Å; A479-L540 PolarHBondContact O-N 2.9Å; V480-L540 CarbonylContact C-O 3.53Å; V480-L540 VanDerWaalsContact CA-O 3.29Å; V480-L540 WeakPolarHBondContact CA-O 3.37Å; V480-L540 HydrophobicContact CG1-CD2 4.48Å; V480-L540 HydrophobicContact CG2-CB 4.25Å; I481-L540 PolarHBondContact N-O 2.96Å; L493-L540 HydrophobicContact CD2-CD2 4.4Å; L497-L540 HydrophobicContact CD2-CD1 4.49Å; L538-L540 HydrophobicContact CD2-CB 4.4Å; L540-Q567 CarbonylContact C-O 3.6Å; L540-Q567 WeakPolarHBondContact CA-O 3.28Å; L540-Q567 HydrophobicContact CB-CB 4.12Å; L540-Q567 HydrophobicContact CD1-CB 4.26Å; L540-Q567 HydrophobicContact CD1-CG 4.07Å; L540-Q567 HydrophobicContact CG-CB 3.97Å; L540-Q567 HydrophobicContact CG-CG 4.11Å; L540-V569 HydrophobicContact CD1-CG2 4.34Å; L540-V569 HydrophobicContact CD2-CG2 4.38Å; L540-V569 HydrophobicContact CG-CG2 4.4Å
541	C	98.5	Very high	95.2	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	118.2	175.8	-56.4	0	0	0	0	110.8	I481 Y524 V543 I554 Q567 V568 V569	I481-C541 WeakPolarHBondContact O-CA 3.06Å; Y524-C541 HydrophobicContact CD1-CB 4.26Å; Y524-C541 HydrophobicContact CE1-CB 4.28Å; C541-V543 HydrophobicContact CB-CG1 4.49Å; C541-I554 HydrophobicContact CB-CD1 4.08Å; C541-Q567 PolarHBondContact N-O 3.04Å; C541-V568 WeakPolarHBondContact O-CA 3.13Å; C541-V569 PolarHBondContact O-N 3.31Å
542	L	98.3	Very high	95.3	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.005	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	109	171.5	178.2	64.3	0	0	0	109.2	I481 A482 N486 L490 L493 Y524 V569 T574	I481-L542 PolarHBondContact O-N 3.42Å; A482-L542 HydrophobicContact CB-CB 4.01Å; A482-L542 HydrophobicContact CB-CD2 4.32Å; N486-L542 HydrophobicContact CB-CD2 4.25Å; L490-L542 HydrophobicContact CB-CD2 3.81Å; L490-L542 HydrophobicContact CD1-CB 4.37Å; L490-L542 HydrophobicContact CD1-CD2 4.12Å; L493-L542 HydrophobicContact CD2-CD1 4.37Å; Y524-L542 PolarHBondContact OH-O 2.91Å; L542-V569 HydrophobicContact CD1-CB 4.36Å; L542-V569 HydrophobicContact CD1-CG1 4.37Å; L542-T574 HydrophobicContact CD1-CG2 3.83Å
543	V	97.4	Very high	95.6	Very high	9 Å²	9	49.7 Å²	49.7	6%	0.055	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	142.3	-175.9	-60.6	0	0	0	0	112.1	Y524 C541 N545 I554 V568 V569 T570 L571	Y524-V543 HydrophobicContact CE1-CG1 4.18Å; C541-V543 HydrophobicContact CB-CG1 4.49Å; V543-N545 PolarHBondContact O-N 3.38Å; V543-I554 HydrophobicContact CG1-CD1 4.1Å; V543-V568 HydrophobicContact CB-CG1 4.46Å; V543-V568 HydrophobicContact CG1-CG1 3.96Å; V543-V568 HydrophobicContact CG2-CG1 3.63Å; V543-V569 PolarHBondContact N-O 3.45Å; V543-T570 HydrophobicContact CG2-CG2 4.1Å; V543-T570 CarbonylContact O-C 3.53Å; V543-T570 WeakPolarHBondContact O-CA 3.35Å; V543-L571 PolarHBondContact O-N 2.99Å
544	P	94.8	Very high	95.9	Very high	24 Å²	24	40.5 Å²	40.5	16%	0.156	22%	0.223	C	C	.	.	S	Bend	trans	-70.9	-32.1	-173.5	26.5	-34.6	0	0	0	113.8	D519	D519-P544 HydrophobicContact CB-CG 3.87Å; D519-P544 VanDerWaalsContact OD2-CG 3.31Å; D519-P544 WeakPolarHBondContact OD2-CG 3.49Å
545	N	93.1	Very high	96.2	Very high	85 Å²	85	39 Å²	39	46%	0.455	21%	0.211	S	C	.	.	S	Bend	trans	-147.3	168.4	-175.3	60.1	1.5	0	0	0	112	V543 N547 R550	V543-N545 PolarHBondContact O-N 3.38Å; N545-N547 PolarHBondContact O-N 2.92Å; N545-R550 PolarHBondContact OD1-NH1 3.18Å
546	D	91.4	Very high	96.3	Very high	150 Å²	150	37 Å²	37	80%	0.802	20%	0.198	S	C	*	.			trans	-79.2	64.5	178.5	-162.1	2.9	0	0	0	111
547	N	93	Very high	96.3	Very high	54 Å²	54	41 Å²	41	29%	0.289	21%	0.212	S	C	.	.			trans	-91.6	110.5	177.4	-179.2	-31.8	0	0	0	109.9	N545 E549 R550 Y551	N545-N547 PolarHBondContact O-N 2.92Å; N547-E549 VanDerWaalsContact C-N 3.35Å; N547-E549 PolarHBondContact O-N 2.87Å; N547-E549 WeakPolarHBondContact OD1-CA 3.47Å; N547-E549 WeakPolarHBondContact OD1-CB 3.37Å; N547-E549 PolarHBondContact OD1-N 2.85Å; N547-R550 HydrophobicContact CB-CB 4.22Å; N547-R550 PolarHBondContact O-N 2.74Å; N547-R550 PolarHBondContact OD1-N 2.83Å; N547-R550 VanDerWaalsContact OD1-N 3.12Å; N547-Y551 WeakPolarHBondContact O-CB 3.37Å; N547-Y551 PolarHBondContact O-N 3.1Å
548	A	90.3	Very high	96.3	Very high	63 Å²	63	38 Å²	38	52%	0.521	20%	0.199	S	C	.	.	H	α-helix	trans	-64.3	-31.6	-178.8	0	0	0	0	0	114.1	S552	A548-S552 VanDerWaalsContact O-CB 3.27Å; A548-S552 WeakPolarHBondContact O-CB 3.28Å; A548-S552 PolarHBondContact O-N 2.94Å; A548-S552 PolarHBondContact O-OG 2.98Å
549	E	92.5	Very high	96.3	Very high	120 Å²	120	38 Å²	38	56%	0.561	20%	0.199	S	C	*	.	H	α-helix	trans	-68.7	-48.4	177.7	-173	-147.6	121.6	0	0	110.8	T521 N547 Y551 S552 S553	T521-E549 PolarHBondContact OG1-OE1 2.88Å; T521-E549 VanDerWaalsContact OG1-OE1 3.08Å; N547-E549 VanDerWaalsContact C-N 3.35Å; N547-E549 PolarHBondContact O-N 2.87Å; N547-E549 WeakPolarHBondContact OD1-CA 3.47Å; N547-E549 WeakPolarHBondContact OD1-CB 3.37Å; N547-E549 PolarHBondContact OD1-N 2.85Å; E549-Y551 PolarHBondContact O-N 3.05Å; E549-S552 PolarHBondContact O-N 3.05Å; E549-S553 WeakPolarHBondContact O-CB 3.35Å; E549-S553 PolarHBondContact O-N 3Å; E549-S553 PolarHBondContact O-OG 2.94Å; E549-S553 VanDerWaalsContact O-OG 3.11Å
550	R	96.7	Very high	96.2	Very high	13 Å²	13	39.2 Å²	39.2	5%	0.049	21%	0.207	C	C	.	.	H	α-helix	trans	-60.8	-46.1	176.1	-169.7	-167.6	-66	114.3	-4.7	110.9	D519 Y524 N545 N547 S553 I554	D519-R550 VanDerWaalsContact O-CZ 3.23Å; D519-R550 PolarHBondContact O-NE 2.92Å; D519-R550 PolarHBondContact O-NH2 3.49Å; D519-R550 IonicContact OD2-NH2 2.99Å; Y524-R550 HydrophobicContact CD2-CG 4.23Å; N545-R550 PolarHBondContact OD1-NH1 3.18Å; N547-R550 HydrophobicContact CB-CB 4.22Å; N547-R550 PolarHBondContact O-N 2.74Å; N547-R550 PolarHBondContact OD1-N 2.83Å; N547-R550 VanDerWaalsContact OD1-N 3.12Å; R550-S553 PolarHBondContact O-N 3.16Å; R550-I554 HydrophobicContact CG-CD1 4.02Å; R550-I554 WeakPolarHBondContact O-CG1 3.19Å; R550-I554 PolarHBondContact O-N 2.83Å
551	Y	97.7	Very high	96.1	Very high	62 Å²	62	41.5 Å²	41.5	24%	0.243	22%	0.219	C	C	.	.	H	α-helix	trans	-57.9	-49	176	176	-92.2	0	0	0	111.6	N547 E549 S553 I554 K555 V568 L823 N827	N547-Y551 WeakPolarHBondContact O-CB 3.37Å; N547-Y551 PolarHBondContact O-N 3.1Å; E549-Y551 PolarHBondContact O-N 3.05Å; Y551-S553 VanDerWaalsContact C-N 3.35Å; Y551-S553 PolarHBondContact O-N 2.87Å; Y551-I554 PolarHBondContact O-N 3.15Å; Y551-K555 HydrophobicContact CD1-CG 4.15Å; Y551-K555 HydrophobicContact CD2-CG 4.41Å; Y551-K555 HydrophobicContact CE1-CG 3.75Å; Y551-K555 HydrophobicContact CE2-CD 4.45Å; Y551-K555 HydrophobicContact CE2-CG 4.06Å; Y551-K555 HydrophobicContact CG-CG 4.46Å; Y551-K555 WeakPolarHBondContact O-CB 3.33Å; Y551-K555 VanDerWaalsContact O-CG 3.31Å; Y551-K555 WeakPolarHBondContact O-CG 3.29Å; Y551-K555 PolarHBondContact O-N 3.07Å; Y551-V568 HydrophobicContact CD2-CB 4.27Å; Y551-V568 HydrophobicContact CD2-CG1 4.26Å; Y551-V568 HydrophobicContact CD2-CG2 4.07Å; Y551-V568 HydrophobicContact CE2-CB 4.32Å; Y551-V568 HydrophobicContact CE2-CG2 4.17Å; Y551-L823 HydrophobicContact CE1-CD1 4.23Å; Y551-N827 HydrophobicContact CE1-CB 4.33Å
552	S	96.9	Very high	95.9	Very high	22 Å²	22	46.3 Å²	46.3	15%	0.154	24%	0.237	C	C	.	.	H	α-helix	trans	-61.6	-42.6	-179.3	-57.7	0	0	0	0	111.9	A548 E549 K555 K556 N827	A548-S552 VanDerWaalsContact O-CB 3.27Å; A548-S552 WeakPolarHBondContact O-CB 3.28Å; A548-S552 PolarHBondContact O-N 2.94Å; A548-S552 PolarHBondContact O-OG 2.98Å; E549-S552 PolarHBondContact O-N 3.05Å; S552-K555 PolarHBondContact O-N 3.13Å; S552-K556 WeakPolarHBondContact O-CB 3.4Å; S552-K556 PolarHBondContact O-N 2.93Å; S552-N827 WeakPolarHBondContact CB-O 3.36Å; S552-N827 PolarHBondContact OG-ND2 3.43Å
553	S	97.8	Very high	95.8	Very high	36 Å²	36	47.8 Å²	47.8	25%	0.252	25%	0.249	S	C	.	.	H	α-helix	trans	-63.9	-45.2	176.9	-65.1	0	0	0	0	113	T521 E549 R550 Y551 K555 K556 R557	T521-S553 VanDerWaalsContact CG2-OG 3.31Å; T521-S553 WeakPolarHBondContact CG2-OG 3.25Å; E549-S553 WeakPolarHBondContact O-CB 3.35Å; E549-S553 PolarHBondContact O-N 3Å; E549-S553 PolarHBondContact O-OG 2.94Å; E549-S553 VanDerWaalsContact O-OG 3.11Å; R550-S553 PolarHBondContact O-N 3.16Å; Y551-S553 VanDerWaalsContact C-N 3.35Å; Y551-S553 PolarHBondContact O-N 2.87Å; S553-K555 VanDerWaalsContact C-N 3.34Å; S553-K555 PolarHBondContact O-N 2.68Å; S553-K556 PolarHBondContact O-N 3.35Å; S553-R557 WeakPolarHBondContact O-CB 3.37Å; S553-R557 WeakPolarHBondContact O-CG 3.13Å; S553-R557 PolarHBondContact O-N 2.88Å
554	I	98.2	Very high	95.8	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-58.6	-45.8	173.7	-72.5	167.8	0	0	0	110.6	Y524 M528 C541 V543 R550 Y551 G558 V568	Y524-I554 HydrophobicContact CD1-CD1 3.98Å; Y524-I554 HydrophobicContact CG-CD1 4.08Å; M528-I554 HydrophobicContact CE-CG2 4.43Å; M528-I554 WeakPolarHBondContact CE-O 3.33Å; M528-I554 HydrophobicContact SD-CB 4.22Å; M528-I554 HydrophobicContact SD-CG1 4.21Å; M528-I554 HydrophobicContact SD-CG2 3.87Å; C541-I554 HydrophobicContact CB-CD1 4.08Å; V543-I554 HydrophobicContact CG1-CD1 4.1Å; R550-I554 HydrophobicContact CG-CD1 4.02Å; R550-I554 WeakPolarHBondContact O-CG1 3.19Å; R550-I554 PolarHBondContact O-N 2.83Å; Y551-I554 PolarHBondContact O-N 3.15Å; I554-G558 PolarHBondContact O-N 3.21Å; I554-V568 HydrophobicContact CG2-CG2 4.12Å
555	K	98.1	Very high	96	Very high	4 Å²	4	47 Å²	47	2%	0.017	24%	0.244	C	C	.	.	H	α-helix	trans	-68	-38.9	-179.7	-68.4	-54.9	-172.2	-176.4	0	112.9	Y551 S552 S553 Y559 T566 L823 L828	Y551-K555 HydrophobicContact CD1-CG 4.15Å; Y551-K555 HydrophobicContact CD2-CG 4.41Å; Y551-K555 HydrophobicContact CE1-CG 3.75Å; Y551-K555 HydrophobicContact CE2-CD 4.45Å; Y551-K555 HydrophobicContact CE2-CG 4.06Å; Y551-K555 HydrophobicContact CG-CG 4.46Å; Y551-K555 WeakPolarHBondContact O-CB 3.33Å; Y551-K555 VanDerWaalsContact O-CG 3.31Å; Y551-K555 WeakPolarHBondContact O-CG 3.29Å; Y551-K555 PolarHBondContact O-N 3.07Å; S552-K555 PolarHBondContact O-N 3.13Å; S553-K555 VanDerWaalsContact C-N 3.34Å; S553-K555 PolarHBondContact O-N 2.68Å; K555-Y559 HydrophobicContact CD-CD2 4.41Å; K555-Y559 HydrophobicContact CD-CE2 3.7Å; K555-Y559 PolarHBondContact NZ-OH 2.98Å; K555-Y559 WeakPolarHBondContact O-CB 3.41Å; K555-Y559 PolarHBondContact O-N 2.93Å; K555-T566 WeakPolarHBondContact CD-OG1 3.47Å; K555-T566 PolarHBondContact NZ-O 2.88Å; K555-T566 PolarHBondContact NZ-OG1 3.13Å; K555-L823 HydrophobicContact CG-CD1 4.4Å; K555-L828 VanDerWaalsContact C-CD2 3.42Å; K555-L828 HydrophobicContact CB-CD2 3.67Å; K555-L828 WeakPolarHBondContact O-CD2 3.39Å
556	K	97.2	Very high	96.2	Very high	63 Å²	63	43 Å²	43	27%	0.274	22%	0.222	S	C	.	.	H	α-helix	trans	-64.5	-49	176.4	-172.3	171.2	-179.7	167.5	0	111.7	S552 S553 G558 Y559 V560 D561 L828	S552-K556 WeakPolarHBondContact O-CB 3.4Å; S552-K556 PolarHBondContact O-N 2.93Å; S553-K556 PolarHBondContact O-N 3.35Å; K556-G558 VanDerWaalsContact C-N 3.34Å; K556-G558 PolarHBondContact O-N 2.78Å; K556-Y559 PolarHBondContact O-N 3.31Å; K556-V560 HydrophobicContact CG-CB 4.11Å; K556-V560 HydrophobicContact CG-CG2 4.22Å; K556-V560 WeakPolarHBondContact O-CB 3.37Å; K556-V560 PolarHBondContact O-N 2.96Å; K556-D561 PolarHBondContact O-N 2.9Å; K556-L828 HydrophobicContact CB-CD2 4.45Å
557	R	97.6	Very high	96.6	Very high	90 Å²	90	36.3 Å²	36.3	34%	0.34	19%	0.186	S	C	.	.	H	α-helix	trans	-60.9	-41.5	177	-70.7	-75.2	-178	-90.7	1.5	112.5	V525 M528 S553 D561 R562	V525-R557 HydrophobicContact CB-CG 4.48Å; V525-R557 HydrophobicContact CG1-CG 3.87Å; V525-R557 VanDerWaalsContact CG1-NE 3.34Å; V525-R557 HydrophobicContact CG2-CG 4.01Å; M528-R557 HydrophobicContact CE-CB 4.26Å; S553-R557 WeakPolarHBondContact O-CB 3.37Å; S553-R557 WeakPolarHBondContact O-CG 3.13Å; S553-R557 PolarHBondContact O-N 2.88Å; R557-D561 VanDerWaalsContact CA-OD2 3.31Å; R557-D561 WeakPolarHBondContact CA-OD2 3.43Å; R557-D561 WeakPolarHBondContact CD-OD2 3.45Å; R557-D561 IonicContact CZ-OD2 3.68Å; R557-D561 PolarHBondContact N-OD2 2.83Å; R557-D561 IonicContact NE-OD2 2.7Å; R557-D561 IonicContact NH1-OD1 2.67Å; R557-D561 IonicContact NH1-OD2 3.8Å; R557-D561 PolarHBondContact NH1-OD2 2.96Å; R557-R562 VanDerWaalsContact O-CB 3.3Å; R557-R562 WeakPolarHBondContact O-CB 3.38Å; R557-R562 VanDerWaalsContact O-CG 3.24Å; R557-R562 WeakPolarHBondContact O-CG 3.11Å; R557-R562 PolarHBondContact O-N 3.43Å
558	G	97.2	Very high	96.8	Very high	1 Å²	1	35 Å²	35	1%	0.01	18%	0.18	C	C	.	.	H	α-helix	trans	-68.6	-36.6	178.6	0	0	0	0	0	115.1	I554 K556 R562 V564	I554-G558 PolarHBondContact O-N 3.21Å; K556-G558 VanDerWaalsContact C-N 3.34Å; K556-G558 PolarHBondContact O-N 2.78Å; G558-R562 CarbonylContact C-O 3.59Å; G558-R562 CarbonylContact O-C 3.6Å; G558-R562 VanDerWaalsContact O-C 3.23Å; G558-V564 PolarHBondContact O-N 3.3Å; G558-V564 VanDerWaalsContact O-O 3.14Å
559	Y	97.9	Very high	97.2	Very high	1 Å²	1	32.2 Å²	32.2	0%	0.004	16%	0.157	C	C	.	.	H	α-helix	trans	-117.1	-20.5	-165.6	-55.8	-18.1	0	0	0	116.1	K555 K556 R562 V564 T566 L823 L828 P832 Q833 L836 Y841	K555-Y559 HydrophobicContact CD-CD2 4.41Å; K555-Y559 HydrophobicContact CD-CE2 3.7Å; K555-Y559 PolarHBondContact NZ-OH 2.98Å; K555-Y559 WeakPolarHBondContact O-CB 3.41Å; K555-Y559 PolarHBondContact O-N 2.93Å; K556-Y559 PolarHBondContact O-N 3.31Å; Y559-R562 CarbonylContact C-O 3.59Å; Y559-R562 VanDerWaalsContact CA-O 3.32Å; Y559-R562 WeakPolarHBondContact CA-O 3.41Å; Y559-V564 WeakPolarHBondContact CD1-O 3.45Å; Y559-V564 VanDerWaalsContact CE1-O 3.31Å; Y559-V564 WeakPolarHBondContact CE1-O 3.34Å; Y559-T566 HydrophobicContact CE1-CG2 4.19Å; Y559-T566 WeakPolarHBondContact CE1-OG1 3.38Å; Y559-T566 PolarHBondContact OH-N 2.81Å; Y559-T566 PolarHBondContact OH-O 2.98Å; Y559-T566 PolarHBondContact OH-OG1 2.78Å; Y559-L823 HydrophobicContact CD2-CD2 4.24Å; Y559-L823 HydrophobicContact CE2-CD2 4.02Å; Y559-L828 HydrophobicContact CD2-CD1 4.34Å; Y559-L828 HydrophobicContact CD2-CD2 4.43Å; Y559-P832 CarbonylContact O-C 3.55Å; Y559-P832 VanDerWaalsContact O-CA 3.27Å; Y559-P832 WeakPolarHBondContact O-CA 3.27Å; Y559-Q833 PolarHBondContact O-N 3.06Å; Y559-L836 HydrophobicContact CD1-CD1 3.94Å; Y559-L836 HydrophobicContact CG-CD1 4.2Å; Y559-Y841 HydrophobicContact CD1-CD2 4.36Å; Y559-Y841 AromaticContact CD2-CD2 3.73Å; Y559-Y841 HydrophobicContact CD2-CD2 3.73Å; Y559-Y841 HydrophobicContact CD2-CE2 4.26Å; Y559-Y841 AromaticContact CE2-CD2 3.85Å; Y559-Y841 HydrophobicContact CE2-CD2 3.85Å; Y559-Y841 WeakPolarHBondContact CE2-O 3.2Å; Y559-Y841 AromaticContact CG-CD2 3.99Å; Y559-Y841 HydrophobicContact CG-CD2 3.99Å; Y559-Y841 VanDerWaalsContact CZ-O 3.24Å; Y559-Y841 PolarHBondContact OH-O 2.85Å
560	V	97.1	Very high	97.4	Very high	25 Å²	25	28.5 Å²	28.5	15%	0.152	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.3	-52.9	-179.5	-179.5	0	0	0	0	109.4	K556 R562 L828 Q833	K556-V560 HydrophobicContact CG-CB 4.11Å; K556-V560 HydrophobicContact CG-CG2 4.22Å; K556-V560 WeakPolarHBondContact O-CB 3.37Å; K556-V560 PolarHBondContact O-N 2.96Å; V560-R562 VanDerWaalsContact C-N 3.32Å; V560-L828 HydrophobicContact CG2-CB 4.14Å; V560-L828 HydrophobicContact CG2-CD1 4.33Å; V560-L828 HydrophobicContact CG2-CD2 4.45Å; V560-Q833 VanDerWaalsContact O-CG 3.3Å; V560-Q833 WeakPolarHBondContact O-CG 3.41Å; V560-Q833 PolarHBondContact O-NE2 2.93Å
561	D	95.3	Very high	97.3	Very high	49 Å²	49	29.1 Å²	29.1	26%	0.262	15%	0.147	S	C	.	.	S	Bend	trans	-79.1	-21.1	-178.7	-46.6	-57.6	0	0	0	111.9	K556 R557 Q833	K556-D561 PolarHBondContact O-N 2.9Å; R557-D561 VanDerWaalsContact CA-OD2 3.31Å; R557-D561 WeakPolarHBondContact CA-OD2 3.43Å; R557-D561 WeakPolarHBondContact CD-OD2 3.45Å; R557-D561 IonicContact CZ-OD2 3.68Å; R557-D561 PolarHBondContact N-OD2 2.83Å; R557-D561 IonicContact NE-OD2 2.7Å; R557-D561 IonicContact NH1-OD1 2.67Å; R557-D561 IonicContact NH1-OD2 3.8Å; R557-D561 PolarHBondContact NH1-OD2 2.96Å; D561-Q833 PolarHBondContact O-NE2 2.67Å
562	R	94.4	Very high	97.2	Very high	101 Å²	101	34.8 Å²	34.8	38%	0.381	17%	0.172	S	C	.	.	S	Bend	trans	-138.6	177.8	175.6	-48.6	-66.9	172.6	-118	3.6	109.6	D529 V532 R557 G558 Y559 V560	D529-R562 IonicContact OD1-CZ 3.04Å; D529-R562 IonicContact OD1-NE 2.68Å; D529-R562 PolarHBondContact OD1-NE 3.01Å; D529-R562 VanDerWaalsContact OD1-NE 3.16Å; D529-R562 IonicContact OD1-NH2 2.79Å; D529-R562 PolarHBondContact OD1-NH2 2.87Å; V532-R562 HydrophobicContact CG2-CG 4.34Å; R557-R562 VanDerWaalsContact O-CB 3.3Å; R557-R562 WeakPolarHBondContact O-CB 3.38Å; R557-R562 VanDerWaalsContact O-CG 3.24Å; R557-R562 WeakPolarHBondContact O-CG 3.11Å; R557-R562 PolarHBondContact O-N 3.43Å; G558-R562 CarbonylContact C-O 3.59Å; G558-R562 CarbonylContact O-C 3.6Å; G558-R562 VanDerWaalsContact O-C 3.23Å; Y559-R562 CarbonylContact C-O 3.59Å; Y559-R562 VanDerWaalsContact CA-O 3.32Å; Y559-R562 WeakPolarHBondContact CA-O 3.41Å; V560-R562 VanDerWaalsContact C-N 3.32Å
563	A	96.9	Very high	97.1	Very high	31 Å²	31	35.1 Å²	35.1	26%	0.256	17%	0.174	S	C	.	.			trans	-121.1	44.4	177.7	0	0	0	0	0	113.2	Q833 A835 L836	A563-Q833 HydrophobicContact CB-CB 4.13Å; A563-A835 HydrophobicContact CB-CB 3.88Å; A563-L836 HydrophobicContact CB-CG 4.27Å; A563-L836 WeakPolarHBondContact O-CD2 3.48Å
564	V	97.6	Very high	96.7	Very high	15 Å²	15	33.9 Å²	33.9	9%	0.091	17%	0.165	C	C	.	.			trans	-110.5	120.6	-175.1	179.4	0	0	0	0	111.2	V532 P536 I539 G558 Y559	V532-V564 HydrophobicContact CG1-CG2 4.46Å; V532-V564 HydrophobicContact CG2-CG2 4.11Å; P536-V564 HydrophobicContact CG-CG1 4.33Å; I539-V564 HydrophobicContact CD1-CG1 3.88Å; I539-V564 HydrophobicContact CG1-CG1 3.87Å; G558-V564 PolarHBondContact O-N 3.3Å; G558-V564 VanDerWaalsContact O-O 3.14Å; Y559-V564 WeakPolarHBondContact CD1-O 3.45Å; Y559-V564 VanDerWaalsContact CE1-O 3.31Å; Y559-V564 WeakPolarHBondContact CE1-O 3.34Å
565	P	98.1	Very high	96.4	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.013	19%	0.193	C	C	.	.			trans	-57.7	137.2	173.5	-23.8	34	0	0	0	112.2	L538 I539 K593 L836 K839	L538-P565 WeakPolarHBondContact CA-O 3.48Å; L538-P565 HydrophobicContact CD1-CB 4.37Å; I539-P565 PolarHBondContact N-O 3.31Å; P565-K593 HydrophobicContact CB-CB 4.09Å; P565-K593 WeakPolarHBondContact CG-O 3.37Å; P565-L836 HydrophobicContact CG-CD2 4.07Å; P565-K839 HydrophobicContact CG-CD 3.98Å
566	T	98.5	Very high	96.1	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	140.2	-178.4	62.7	0	0	0	0	113.3	M528 I539 K555 Y559 K593	M528-T566 HydrophobicContact CE-CG2 3.9Å; I539-T566 HydrophobicContact CB-CG2 4.36Å; I539-T566 CarbonylContact O-C 3.57Å; I539-T566 WeakPolarHBondContact O-CA 3.47Å; K555-T566 WeakPolarHBondContact CD-OG1 3.47Å; K555-T566 PolarHBondContact NZ-O 2.88Å; K555-T566 PolarHBondContact NZ-OG1 3.13Å; Y559-T566 HydrophobicContact CE1-CG2 4.19Å; Y559-T566 WeakPolarHBondContact CE1-OG1 3.38Å; Y559-T566 PolarHBondContact OH-N 2.81Å; Y559-T566 PolarHBondContact OH-O 2.98Å; Y559-T566 PolarHBondContact OH-OG1 2.78Å; T566-K593 PolarHBondContact O-NZ 2.78Å
567	Q	98.5	Very high	95.8	Very high	10 Å²	10	53 Å²	53	5%	0.047	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	140.5	167	-171.1	57.8	37	0	0	109.6	L538 I539 L540 C541 V569 I586 Q589 L590	L538-Q567 HydrophobicContact CD2-CB 4.24Å; I539-Q567 PolarHBondContact O-N 3.3Å; L540-Q567 CarbonylContact C-O 3.6Å; L540-Q567 WeakPolarHBondContact CA-O 3.28Å; L540-Q567 HydrophobicContact CB-CB 4.12Å; L540-Q567 HydrophobicContact CD1-CB 4.26Å; L540-Q567 HydrophobicContact CD1-CG 4.07Å; L540-Q567 HydrophobicContact CG-CB 3.97Å; L540-Q567 HydrophobicContact CG-CG 4.11Å; C541-Q567 PolarHBondContact N-O 3.04Å; Q567-V569 HydrophobicContact CG-CG2 4.09Å; Q567-I586 HydrophobicContact CG-CG2 4.28Å; Q567-Q589 VanDerWaalsContact CD-OE1 3.28Å; Q567-L590 HydrophobicContact CB-CD2 3.78Å; Q567-L590 HydrophobicContact CG-CD2 3.94Å
568	V	98.5	Very high	95.6	Very high	26 Å²	26	52 Å²	52	16%	0.158	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	133.8	169	-178.6	0	0	0	0	107.3	C541 V543 Y551 I554	C541-V568 WeakPolarHBondContact O-CA 3.13Å; V543-V568 HydrophobicContact CB-CG1 4.46Å; V543-V568 HydrophobicContact CG1-CG1 3.96Å; V543-V568 HydrophobicContact CG2-CG1 3.63Å; Y551-V568 HydrophobicContact CD2-CB 4.27Å; Y551-V568 HydrophobicContact CD2-CG1 4.26Å; Y551-V568 HydrophobicContact CD2-CG2 4.07Å; Y551-V568 HydrophobicContact CE2-CB 4.32Å; Y551-V568 HydrophobicContact CE2-CG2 4.17Å; I554-V568 HydrophobicContact CG2-CG2 4.12Å
569	V	98.3	Very high	95.4	Very high	6 Å²	6	52.7 Å²	52.7	4%	0.036	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	130.8	176.2	-176.4	0	0	0	0	108.1	L493 L540 C541 L542 V543 Q567 T573 T574 I586	L493-V569 HydrophobicContact CD1-CG1 4.37Å; L493-V569 HydrophobicContact CD2-CB 4.09Å; L493-V569 HydrophobicContact CD2-CG1 3.86Å; L493-V569 HydrophobicContact CD2-CG2 4.17Å; L540-V569 HydrophobicContact CD1-CG2 4.34Å; L540-V569 HydrophobicContact CD2-CG2 4.38Å; L540-V569 HydrophobicContact CG-CG2 4.4Å; C541-V569 PolarHBondContact O-N 3.31Å; L542-V569 HydrophobicContact CD1-CB 4.36Å; L542-V569 HydrophobicContact CD1-CG1 4.37Å; V543-V569 PolarHBondContact N-O 3.45Å; Q567-V569 HydrophobicContact CG-CG2 4.09Å; V569-T573 HydrophobicContact CG1-CG2 4.13Å; V569-T574 HydrophobicContact CG1-CG2 4.48Å; V569-I586 HydrophobicContact CG1-CD1 4.48Å; V569-I586 HydrophobicContact CG2-CD1 4.06Å
570	T	96.9	Very high	95.2	Very high	42 Å²	42	56.6 Å²	56.6	26%	0.258	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	143	176.1	56.8	0	0	0	0	110.6	V543 K572 T573	V543-T570 HydrophobicContact CG2-CG2 4.1Å; V543-T570 CarbonylContact O-C 3.53Å; V543-T570 WeakPolarHBondContact O-CA 3.35Å; T570-K572 PolarHBondContact O-N 2.94Å; T570-K572 VanDerWaalsContact O-N 3.13Å; T570-T573 WeakPolarHBondContact O-CA 3.34Å; T570-T573 WeakPolarHBondContact O-CB 3.43Å; T570-T573 PolarHBondContact O-N 2.82Å; T570-T573 PolarHBondContact O-OG1 2.68Å; T570-T573 PolarHBondContact OG1-OG1 2.74Å
571	L	95.5	Very high	94.9	Very high	25 Å²	25	57.5 Å²	57.5	13%	0.131	28%	0.281	C	S	.	.	H	α-helix	trans	-58	-28.2	179.3	-174	67.5	0	0	0	113.4	N486 E489 V543 T573 T574	N486-L571 HydrophobicContact CB-CD1 4.24Å; N486-L571 VanDerWaalsContact ND2-CD2 3.35Å; N486-L571 WeakPolarHBondContact ND2-CD2 3.33Å; E489-L571 HydrophobicContact CB-CD1 3.75Å; E489-L571 HydrophobicContact CG-CD1 3.82Å; V543-L571 PolarHBondContact O-N 2.99Å; L571-T573 PolarHBondContact O-N 2.88Å; L571-T574 PolarHBondContact O-N 2.94Å; L571-T574 PolarHBondContact O-OG1 2.82Å
572	K	94.4	Very high	94.9	Very high	181 Å²	181	57.1 Å²	57.1	79%	0.787	28%	0.278	S	S	*	.	H	α-helix	trans	-60.7	-26.2	171.5	-174.7	174.2	-179.8	176.7	0	112.9	T570	T570-K572 PolarHBondContact O-N 2.94Å; T570-K572 VanDerWaalsContact O-N 3.13Å
573	T	94.1	Very high	95	Very high	29 Å²	29	52.3 Å²	52.3	18%	0.178	26%	0.26	C	S	.	.	H	α-helix	trans	-73.8	-39.8	-179.4	-56.5	0	0	0	0	111.8	V569 T570 L571 K575 N576 I582	V569-T573 HydrophobicContact CG1-CG2 4.13Å; T570-T573 WeakPolarHBondContact O-CA 3.34Å; T570-T573 WeakPolarHBondContact O-CB 3.43Å; T570-T573 PolarHBondContact O-N 2.82Å; T570-T573 PolarHBondContact O-OG1 2.68Å; T570-T573 PolarHBondContact OG1-OG1 2.74Å; L571-T573 PolarHBondContact O-N 2.88Å; T573-K575 VanDerWaalsContact C-N 3.28Å; T573-K575 PolarHBondContact O-N 2.93Å; T573-N576 WeakPolarHBondContact O-CB 3.34Å; T573-N576 PolarHBondContact O-N 3.18Å; T573-I582 HydrophobicContact CG2-CB 4.47Å; T573-I582 HydrophobicContact CG2-CD1 4.13Å; T573-I582 HydrophobicContact CG2-CG2 3.61Å
574	T	91.3	Very high	94.9	Very high	10 Å²	10	52.4 Å²	52.4	6%	0.061	26%	0.258	C	S	.	.	H	α-helix	trans	-68.4	-28.9	-179	63.6	0	0	0	0	112.2	E489 L493 L542 V569 L571 N576	E489-T574 WeakPolarHBondContact CB-OG1 3.38Å; L493-T574 HydrophobicContact CB-CG2 3.85Å; L493-T574 HydrophobicContact CD1-CG2 4.39Å; L493-T574 HydrophobicContact CD2-CG2 4Å; L493-T574 HydrophobicContact CG-CG2 4.3Å; L542-T574 HydrophobicContact CD1-CG2 3.83Å; V569-T574 HydrophobicContact CG1-CG2 4.48Å; L571-T574 PolarHBondContact O-N 2.94Å; L571-T574 PolarHBondContact O-OG1 2.82Å; T574-N576 VanDerWaalsContact C-N 3.27Å; T574-N576 PolarHBondContact O-N 3.13Å
575	K	90.4	Very high	94.8	Very high	138 Å²	138	55.7 Å²	55.7	60%	0.6	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	10.8	176.9	-53.9	-168.9	-178.3	-162.2	0	114.1	E489 T573	E489-K575 HydrophobicContact CG-CG 4.5Å; E489-K575 WeakPolarHBondContact OE1-CE 3.3Å; E489-K575 IonicContact OE1-NZ 3.73Å; E489-K575 PolarHBondContact OE1-NZ 2.82Å; T573-K575 VanDerWaalsContact C-N 3.28Å; T573-K575 PolarHBondContact O-N 2.93Å
576	N	93.1	Very high	94.8	Very high	73 Å²	73	56.2 Å²	56.2	39%	0.39	27%	0.274	S	S	.	.			trans	-86.4	130.5	-176.6	-167.4	-45.9	0	0	0	111.6	T573 T574 S578 L579 I582	T573-N576 WeakPolarHBondContact O-CB 3.34Å; T573-N576 PolarHBondContact O-N 3.18Å; T574-N576 VanDerWaalsContact C-N 3.27Å; T574-N576 PolarHBondContact O-N 3.13Å; N576-S578 PolarHBondContact O-N 3.29Å; N576-S578 PolarHBondContact OD1-N 3.19Å; N576-L579 WeakPolarHBondContact O-CB 3.05Å; N576-L579 PolarHBondContact O-N 3.37Å; N576-I582 HydrophobicContact CB-CD1 3.91Å
577	R	90.9	Very high	94.7	Very high	257 Å²	257	56.2 Å²	56.2	97%	0.97	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-27.4	176.9	-65	-175.4	-179.7	-176.7	-0.8	113.8
578	S	92.6	Very high	94.6	Very high	69 Å²	69	56.2 Å²	56.2	48%	0.483	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	24.3	179.6	-58.2	0	0	0	0	113.7	N576 M580 S581 I582	N576-S578 PolarHBondContact O-N 3.29Å; N576-S578 PolarHBondContact OD1-N 3.19Å; S578-M580 VanDerWaalsContact C-N 3.31Å; S578-M580 PolarHBondContact O-N 2.8Å; S578-M580 VanDerWaalsContact O-N 3.16Å; S578-S581 PolarHBondContact O-N 2.85Å; S578-S581 PolarHBondContact O-OG 3.49Å; S578-I582 PolarHBondContact O-N 3.33Å
579	L	93.8	Very high	94.6	Very high	16 Å²	16	56.3 Å²	56.3	8%	0.084	27%	0.272	C	S	.	.	H	α-helix	trans	-47.8	-45.6	-172.6	-179	58.9	0	0	0	113.6	T492 L493 S496 N576 S581 I582 A583	T492-L579 HydrophobicContact CG2-CD2 3.91Å; L493-L579 HydrophobicContact CD1-CD1 4.19Å; S496-L579 VanDerWaalsContact OG-CD2 3.25Å; S496-L579 WeakPolarHBondContact OG-CD2 3.5Å; N576-L579 WeakPolarHBondContact O-CB 3.05Å; N576-L579 PolarHBondContact O-N 3.37Å; L579-S581 VanDerWaalsContact C-N 3.3Å; L579-S581 PolarHBondContact O-N 2.88Å; L579-I582 CarbonylContact O-C 3.59Å; L579-I582 WeakPolarHBondContact O-CA 3.21Å; L579-I582 WeakPolarHBondContact O-CB 3.3Å; L579-I582 PolarHBondContact O-N 2.96Å; L579-A583 PolarHBondContact O-N 3.43Å
580	M	92.5	Very high	94.6	Very high	84 Å²	84	56 Å²	56	41%	0.414	27%	0.271	S	S	.	.	H	α-helix	trans	-53.9	-43.6	178.1	-77	-57.1	-56.9	0	0	113.1	R499 A500 S578 I582 A583 T584	R499-M580 HydrophobicContact CB-CE 3.89Å; A500-M580 HydrophobicContact CB-CE 4.06Å; S578-M580 VanDerWaalsContact C-N 3.31Å; S578-M580 PolarHBondContact O-N 2.8Å; S578-M580 VanDerWaalsContact O-N 3.16Å; M580-I582 PolarHBondContact O-N 3.44Å; M580-A583 PolarHBondContact O-N 2.7Å; M580-T584 PolarHBondContact O-N 2.95Å; M580-T584 PolarHBondContact O-OG1 3.03Å
581	S	92.3	Very high	94.7	Very high	43 Å²	43	54 Å²	54	30%	0.301	26%	0.258	S	S	.	.	H	α-helix	trans	-68.9	-23.9	178.8	73.5	0	0	0	0	113.4	S578 L579	S578-S581 PolarHBondContact O-N 2.85Å; S578-S581 PolarHBondContact O-OG 3.49Å; L579-S581 VanDerWaalsContact C-N 3.3Å; L579-S581 PolarHBondContact O-N 2.88Å
582	I	94.9	Very high	94.8	Very high	41 Å²	41	52.8 Å²	52.8	21%	0.21	25%	0.252	C	S	.	.	H	α-helix	trans	-82.6	-40.6	175.2	-53.9	171.9	0	0	0	109.3	T573 N576 S578 L579 M580 T584 K585 I586	T573-I582 HydrophobicContact CG2-CB 4.47Å; T573-I582 HydrophobicContact CG2-CD1 4.13Å; T573-I582 HydrophobicContact CG2-CG2 3.61Å; N576-I582 HydrophobicContact CB-CD1 3.91Å; S578-I582 PolarHBondContact O-N 3.33Å; L579-I582 CarbonylContact O-C 3.59Å; L579-I582 WeakPolarHBondContact O-CA 3.21Å; L579-I582 WeakPolarHBondContact O-CB 3.3Å; L579-I582 PolarHBondContact O-N 2.96Å; M580-I582 PolarHBondContact O-N 3.44Å; I582-T584 VanDerWaalsContact C-N 3.31Å; I582-T584 PolarHBondContact O-N 2.96Å; I582-K585 CarbonylContact O-C 3.52Å; I582-K585 WeakPolarHBondContact O-CA 3.45Å; I582-K585 PolarHBondContact O-N 3.22Å; I582-I586 HydrophobicContact CG2-CD1 4.06Å; I582-I586 HydrophobicContact CG2-CG1 4.4Å; I582-I586 WeakPolarHBondContact O-CG1 3.45Å; I582-I586 PolarHBondContact O-N 2.7Å
583	A	95.4	Very high	95	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-59.4	-39.6	174.2	0	0	0	0	0	111.9	S496 A500 L579 M580 K585 I586 A587	S496-A583 WeakPolarHBondContact O-CB 3.29Å; A500-A583 HydrophobicContact CB-CB 4.02Å; L579-A583 PolarHBondContact O-N 3.43Å; M580-A583 PolarHBondContact O-N 2.7Å; A583-K585 PolarHBondContact O-N 3.12Å; A583-I586 PolarHBondContact O-N 2.91Å; A583-A587 WeakPolarHBondContact O-CB 3.35Å; A583-A587 PolarHBondContact O-N 3.37Å
584	T	94.8	Very high	95.1	Very high	33 Å²	33	43.7 Å²	43.7	20%	0.202	21%	0.211	C	C	.	.	H	α-helix	trans	-55.2	-49	169.1	-50.4	0	0	0	0	111.4	F462 M504 M580 I582 I586 A587 I588	F462-T584 HydrophobicContact CB-CG2 4.27Å; M504-T584 HydrophobicContact CE-CG2 3.98Å; M504-T584 WeakPolarHBondContact CE-O 3.25Å; M504-T584 HydrophobicContact SD-CG2 3.54Å; M504-T584 VanDerWaalsContact SD-CG2 3.54Å; M580-T584 PolarHBondContact O-N 2.95Å; M580-T584 PolarHBondContact O-OG1 3.03Å; I582-T584 VanDerWaalsContact C-N 3.31Å; I582-T584 PolarHBondContact O-N 2.96Å; T584-I586 PolarHBondContact O-N 3.1Å; T584-A587 PolarHBondContact O-N 3.48Å; T584-I588 HydrophobicContact CG2-CD1 4.28Å; T584-I588 WeakPolarHBondContact O-CG1 3.24Å; T584-I588 PolarHBondContact O-N 2.86Å
585	K	95.9	Very high	95.3	Very high	84 Å²	84	44 Å²	44	37%	0.365	22%	0.215	S	C	.	.	H	α-helix	trans	-67.3	-35	179.4	-67.4	-179.1	-178.5	-169.9	0	112.9	I582 A583 Q589	I582-K585 CarbonylContact O-C 3.52Å; I582-K585 WeakPolarHBondContact O-CA 3.45Å; I582-K585 PolarHBondContact O-N 3.22Å; A583-K585 PolarHBondContact O-N 3.12Å; K585-Q589 WeakPolarHBondContact O-CB 3.39Å; K585-Q589 PolarHBondContact O-N 3.31Å; K585-Q589 VanDerWaalsContact O-N 3.07Å
586	I	97.4	Very high	95.6	Very high	14 Å²	14	41.2 Å²	41.2	7%	0.072	20%	0.202	C	C	.	.	H	α-helix	trans	-63.9	-50.4	172.6	-67.2	167.5	0	0	0	109.3	L493 L497 Q567 V569 I582 A583 T584 I588 Q589 L590	L493-I586 HydrophobicContact CD1-CD1 4.2Å; L497-I586 HydrophobicContact CD1-CB 4.17Å; L497-I586 HydrophobicContact CD1-CG2 3.78Å; Q567-I586 HydrophobicContact CG-CG2 4.28Å; V569-I586 HydrophobicContact CG1-CD1 4.48Å; V569-I586 HydrophobicContact CG2-CD1 4.06Å; I582-I586 HydrophobicContact CG2-CD1 4.06Å; I582-I586 HydrophobicContact CG2-CG1 4.4Å; I582-I586 WeakPolarHBondContact O-CG1 3.45Å; I582-I586 PolarHBondContact O-N 2.7Å; A583-I586 PolarHBondContact O-N 2.91Å; T584-I586 PolarHBondContact O-N 3.1Å; I586-I588 PolarHBondContact O-N 3.22Å; I586-Q589 CarbonylContact O-C 3.52Å; I586-Q589 WeakPolarHBondContact O-CA 3.15Å; I586-Q589 WeakPolarHBondContact O-CB 3.2Å; I586-Q589 PolarHBondContact O-N 3.07Å; I586-L590 HydrophobicContact CG2-CD1 4.36Å; I586-L590 HydrophobicContact CG2-CD2 4.45Å; I586-L590 HydrophobicContact CG2-CG 4.17Å; I586-L590 WeakPolarHBondContact O-CG 3.39Å; I586-L590 PolarHBondContact O-N 2.99Å
587	A	97	Very high	95.8	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-60.2	-39.4	179.3	0	0	0	0	0	113.3	L497 A501 M504 A583 T584 Q589 L590 N591	L497-A587 HydrophobicContact CD1-CB 3.9Å; A501-A587 HydrophobicContact CB-CB 3.82Å; M504-A587 HydrophobicContact CE-CB 3.45Å; M504-A587 VanDerWaalsContact CE-CB 3.45Å; A583-A587 WeakPolarHBondContact O-CB 3.35Å; A583-A587 PolarHBondContact O-N 3.37Å; T584-A587 PolarHBondContact O-N 3.48Å; A587-Q589 VanDerWaalsContact C-N 3.34Å; A587-Q589 PolarHBondContact O-N 2.86Å; A587-L590 PolarHBondContact O-N 3.38Å; A587-N591 PolarHBondContact O-N 3.07Å
588	I	97.4	Very high	96.1	Very high	9 Å²	9	25.5 Å²	25.5	5%	0.046	14%	0.137	C	C	.	.	H	α-helix	trans	-57.2	-47.9	169.6	-69.6	168.5	0	0	0	110.4	F462 M467 M504 T584 I586 L590 N591 C592 P598 W599 Y802	F462-I588 HydrophobicContact CD1-CD1 3.7Å; F462-I588 HydrophobicContact CD1-CG1 4.39Å; F462-I588 HydrophobicContact CE1-CD1 3.82Å; F462-I588 HydrophobicContact CE1-CG1 4.48Å; F462-I588 HydrophobicContact CG-CD1 4.09Å; F462-I588 HydrophobicContact CZ-CD1 4.32Å; M467-I588 HydrophobicContact SD-CG1 4.07Å; M504-I588 HydrophobicContact CE-CG1 3.9Å; M504-I588 HydrophobicContact SD-CD1 3.97Å; M504-I588 HydrophobicContact SD-CG1 3.63Å; T584-I588 HydrophobicContact CG2-CD1 4.28Å; T584-I588 WeakPolarHBondContact O-CG1 3.24Å; T584-I588 PolarHBondContact O-N 2.86Å; I586-I588 PolarHBondContact O-N 3.22Å; I588-L590 PolarHBondContact O-N 3.3Å; I588-N591 PolarHBondContact O-N 3.04Å; I588-C592 PolarHBondContact O-N 2.96Å; I588-C592 VanDerWaalsContact O-N 3.11Å; I588-C592 PolarHBondContact O-SG 2.87Å; I588-P598 HydrophobicContact CG2-CB 3.97Å; I588-P598 HydrophobicContact CG2-CG 3.73Å; I588-W599 HydrophobicContact CG2-CZ3 4.15Å; I588-Y802 WeakPolarHBondContact CG2-O 3.32Å
589	Q	98.1	Very high	96.3	Very high	28 Å²	28	22.2 Å²	22.2	13%	0.131	11%	0.114	C	C	.	.	H	α-helix	trans	-65.3	-34.8	178	179.1	168.6	99.9	0	0	112.8	Q567 K585 I586 A587 C592 K593 N803 L843	Q567-Q589 VanDerWaalsContact CD-OE1 3.28Å; K585-Q589 WeakPolarHBondContact O-CB 3.39Å; K585-Q589 PolarHBondContact O-N 3.31Å; K585-Q589 VanDerWaalsContact O-N 3.07Å; I586-Q589 CarbonylContact O-C 3.52Å; I586-Q589 WeakPolarHBondContact O-CA 3.15Å; I586-Q589 WeakPolarHBondContact O-CB 3.2Å; I586-Q589 PolarHBondContact O-N 3.07Å; A587-Q589 VanDerWaalsContact C-N 3.34Å; A587-Q589 PolarHBondContact O-N 2.86Å; Q589-C592 PolarHBondContact O-N 2.87Å; Q589-K593 HydrophobicContact CG-CD 4.16Å; Q589-K593 WeakPolarHBondContact O-CB 3.31Å; Q589-K593 VanDerWaalsContact O-CG 3.3Å; Q589-K593 WeakPolarHBondContact O-CG 3.48Å; Q589-K593 PolarHBondContact O-N 2.8Å; Q589-N803 PolarHBondContact NE2-ND2 2.96Å; Q589-N803 PolarHBondContact NE2-OD1 2.77Å; Q589-L843 HydrophobicContact CG-CB 4.23Å; Q589-L843 PolarHBondContact NE2-O 3.3Å
590	L	98.3	Very high	96.5	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-64	-46.5	173.1	-61.8	-174.1	0	0	0	110.8	L475 L497 I508 L538 Q567 I586 A587 I588 C592 K593 L594	L475-L590 HydrophobicContact CD2-CD1 4.33Å; L497-L590 HydrophobicContact CD1-CD1 4.11Å; L497-L590 HydrophobicContact CD2-CD1 3.92Å; L497-L590 HydrophobicContact CG-CD1 4.48Å; I508-L590 HydrophobicContact CD1-CD1 4.27Å; L538-L590 HydrophobicContact CD1-CB 4.49Å; L538-L590 HydrophobicContact CD1-CD2 3.61Å; L538-L590 HydrophobicContact CD2-CD2 3.75Å; L538-L590 HydrophobicContact CG-CD2 4.35Å; Q567-L590 HydrophobicContact CB-CD2 3.78Å; Q567-L590 HydrophobicContact CG-CD2 3.94Å; I586-L590 HydrophobicContact CG2-CD1 4.36Å; I586-L590 HydrophobicContact CG2-CD2 4.45Å; I586-L590 HydrophobicContact CG2-CG 4.17Å; I586-L590 WeakPolarHBondContact O-CG 3.39Å; I586-L590 PolarHBondContact O-N 2.99Å; A587-L590 PolarHBondContact O-N 3.38Å; I588-L590 PolarHBondContact O-N 3.3Å; L590-C592 VanDerWaalsContact C-N 3.31Å; L590-C592 PolarHBondContact O-N 3.33Å; L590-K593 WeakPolarHBondContact O-CB 3.46Å; L590-K593 PolarHBondContact O-N 3.47Å; L590-L594 WeakPolarHBondContact O-CG 3.44Å; L590-L594 PolarHBondContact O-N 2.92Å
591	N	98	Very high	96.7	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-56.4	-45.4	176.8	-162.2	49.4	0	0	0	111.5	M467 T469 P471 L506 A587 I588 K593 L594 G595 Y596	M467-N591 HydrophobicContact CE-CB 3.74Å; M467-N591 HydrophobicContact SD-CB 3.81Å; T469-N591 PolarHBondContact O-ND2 3.03Å; P471-N591 WeakPolarHBondContact CD-OD1 3.39Å; L506-N591 HydrophobicContact CD2-CB 4.32Å; A587-N591 PolarHBondContact O-N 3.07Å; I588-N591 PolarHBondContact O-N 3.04Å; N591-K593 PolarHBondContact O-N 3.46Å; N591-L594 PolarHBondContact O-N 2.79Å; N591-G595 PolarHBondContact O-N 2.95Å; N591-Y596 PolarHBondContact O-N 3.31Å; N591-Y596 WeakPolarHBondContact OD1-CB 3.07Å
592	C	98.3	Very high	96.6	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-60	-43.2	174.4	-60.5	0	0	0	0	112.6	I588 Q589 L590 L594 G595 Y596 P598 Y802 F840 L843	I588-C592 PolarHBondContact O-N 2.96Å; I588-C592 VanDerWaalsContact O-N 3.11Å; I588-C592 PolarHBondContact O-SG 2.87Å; Q589-C592 PolarHBondContact O-N 2.87Å; L590-C592 VanDerWaalsContact C-N 3.31Å; L590-C592 PolarHBondContact O-N 3.33Å; C592-L594 PolarHBondContact O-N 3.42Å; C592-G595 PolarHBondContact O-N 3.38Å; C592-Y596 WeakPolarHBondContact CA-O 3.33Å; C592-P598 VanDerWaalsContact SG-CD 3.59Å; C592-P598 WeakPolarHBondContact SG-CG 3.43Å; C592-Y802 WeakPolarHBondContact SG-CB 3.4Å; C592-F840 HydrophobicContact CB-CB 3.8Å; C592-F840 HydrophobicContact CB-CD2 3.9Å; C592-F840 HydrophobicContact CB-CG 4.15Å; C592-F840 WeakPolarHBondContact O-CB 3.31Å; C592-F840 WeakPolarHBondContact O-CD2 3.46Å; C592-F840 PolarHBondContact O-N 3.21Å; C592-L843 HydrophobicContact CB-CD1 3.89Å
593	K	98.2	Very high	96.5	Very high	1 Å²	1	18.3 Å²	18.3	0%	0.004	9%	0.089	C	C	.	.	H	α-helix	trans	-66.3	-25.3	180	-79.2	175	179.9	175.5	0	113.6	L538 P565 T566 Q589 L590 N591 G595 F840 L843	L538-K593 HydrophobicContact CD1-CB 3.91Å; L538-K593 HydrophobicContact CD1-CD 4.35Å; P565-K593 HydrophobicContact CB-CB 4.09Å; P565-K593 WeakPolarHBondContact CG-O 3.37Å; T566-K593 PolarHBondContact O-NZ 2.78Å; Q589-K593 HydrophobicContact CG-CD 4.16Å; Q589-K593 WeakPolarHBondContact O-CB 3.31Å; Q589-K593 VanDerWaalsContact O-CG 3.3Å; Q589-K593 WeakPolarHBondContact O-CG 3.48Å; Q589-K593 PolarHBondContact O-N 2.8Å; L590-K593 WeakPolarHBondContact O-CB 3.46Å; L590-K593 PolarHBondContact O-N 3.47Å; N591-K593 PolarHBondContact O-N 3.46Å; K593-G595 VanDerWaalsContact C-N 3.3Å; K593-F840 WeakPolarHBondContact CG-O 3.31Å; K593-L843 WeakPolarHBondContact CE-OXT 3.18Å; K593-L843 PolarHBondContact NZ-OXT 2.73Å
594	L	96.9	Very high	96.3	Very high	18 Å²	18	23.4 Å²	23.4	9%	0.094	12%	0.123	C	C	.	.	H	α-helix	trans	-78.6	-14.6	172.2	-63.2	168.9	0	0	0	112.8	P471 L475 K537 L538 L590 N591 C592 Y596	P471-L594 HydrophobicContact CG-CD1 4.23Å; L475-L594 HydrophobicContact CB-CD1 4.41Å; L475-L594 HydrophobicContact CD1-CD1 3.98Å; L475-L594 HydrophobicContact CD1-CD2 3.89Å; K537-L594 HydrophobicContact CB-CD2 3.87Å; L538-L594 HydrophobicContact CB-CD2 4.41Å; L590-L594 WeakPolarHBondContact O-CG 3.44Å; L590-L594 PolarHBondContact O-N 2.92Å; N591-L594 PolarHBondContact O-N 2.79Å; C592-L594 PolarHBondContact O-N 3.42Å; L594-Y596 HydrophobicContact CB-CD2 3.79Å; L594-Y596 HydrophobicContact CB-CE2 4.14Å
595	G	95.7	Very high	96.1	Very high	15 Å²	15	23.2 Å²	23.2	16%	0.155	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	107.8	8.6	179.9	0	0	0	0	0	115	N591 C592 K593	N591-G595 PolarHBondContact O-N 2.95Å; C592-G595 PolarHBondContact O-N 3.38Å; K593-G595 VanDerWaalsContact C-N 3.3Å
596	Y	96.9	Very high	95.9	Very high	81 Å²	81	22.2 Å²	22.2	32%	0.318	12%	0.124	S	C	.	.			trans	-105.2	167.4	-171.9	-65.6	-94.2	0	0	0	112.9	T470 P471 N591 C592 L594	T470-Y596 VanDerWaalsContact C-CD1 3.46Å; P471-Y596 VanDerWaalsContact CA-CZ 3.5Å; P471-Y596 HydrophobicContact CB-CD2 4.36Å; P471-Y596 HydrophobicContact CB-CE1 4.22Å; P471-Y596 HydrophobicContact CB-CE2 3.7Å; P471-Y596 HydrophobicContact CG-CD2 4.27Å; P471-Y596 HydrophobicContact CG-CE2 4.06Å; N591-Y596 PolarHBondContact O-N 3.31Å; N591-Y596 WeakPolarHBondContact OD1-CB 3.07Å; C592-Y596 WeakPolarHBondContact CA-O 3.33Å; L594-Y596 HydrophobicContact CB-CD2 3.79Å; L594-Y596 HydrophobicContact CB-CE2 4.14Å
597	T	97.3	Very high	95.8	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.123	C	C	.	.			trans	-114.2	114.3	-165.4	-55.8	0	0	0	0	111	L468 T469 W599 M600 S639 Y802	L468-T597 WeakPolarHBondContact CB-O 3.41Å; L468-T597 HydrophobicContact CD2-CG2 4.03Å; L468-T597 PolarHBondContact N-O 2.73Å; T469-T597 PolarHBondContact N-O 3.37Å; T469-T597 WeakPolarHBondContact OG1-CB 3.37Å; T469-T597 PolarHBondContact OG1-N 3.11Å; T597-W599 WeakPolarHBondContact CG2-O 3.37Å; T597-M600 HydrophobicContact CG2-CE 3.9Å; T597-S639 WeakPolarHBondContact CB-OG 3.48Å; T597-S639 WeakPolarHBondContact OG1-CB 3.42Å; T597-S639 PolarHBondContact OG1-O 2.99Å; T597-S639 PolarHBondContact OG1-OG 2.88Å; T597-Y802 HydrophobicContact CG2-CE1 4.39Å; T597-Y802 HydrophobicContact CG2-CE2 4.14Å; T597-Y802 WeakPolarHBondContact CG2-OH 3.41Å
598	P	96.9	Very high	95.8	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.123	C	C	.	.	S	Bend	trans	-68.6	-37.8	178.6	-27.7	39.5	0	0	0	115	M467 L468 I588 C592 Y802	M467-P598 VanDerWaalsContact CA-O 3.31Å; M467-P598 WeakPolarHBondContact CA-O 3.44Å; M467-P598 HydrophobicContact CG-CB 3.95Å; M467-P598 HydrophobicContact SD-CB 3.82Å; M467-P598 HydrophobicContact SD-CG 4.04Å; L468-P598 PolarHBondContact N-O 3.48Å; I588-P598 HydrophobicContact CG2-CB 3.97Å; I588-P598 HydrophobicContact CG2-CG 3.73Å; C592-P598 VanDerWaalsContact SG-CD 3.59Å; C592-P598 WeakPolarHBondContact SG-CG 3.43Å; P598-Y802 HydrophobicContact CG-CD2 4.49Å; P598-Y802 HydrophobicContact CG-CG 4.16Å
599	W	97.4	Very high	95.9	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.12	C	C	.	.			trans	-156.7	166.1	178.6	66.8	85.9	0	0	0	111.3	I443 V444 F445 W458 F462 I588 T597 H799 Y802 W804	I443-W599 HydrophobicContact CG2-CB 3.7Å; I443-W599 HydrophobicContact CG2-CG 3.78Å; V444-W599 CarbonylContact O-C 3.47Å; V444-W599 VanDerWaalsContact O-CA 3.3Å; V444-W599 WeakPolarHBondContact O-CA 3.44Å; F445-W599 HydrophobicContact CD1-CB 4.49Å; F445-W599 HydrophobicContact CE1-CB 4.15Å; F445-W599 HydrophobicContact CZ-CB 4.28Å; W458-W599 AromaticContact CE2-CE2 3.95Å; W458-W599 AromaticContact CE2-NE1 3.98Å; W458-W599 AromaticContact CZ2-CE2 3.7Å; W458-W599 AromaticContact CZ2-CZ2 3.74Å; W458-W599 HydrophobicContact CZ2-CZ2 3.74Å; W458-W599 AromaticContact CZ2-NE1 3.51Å; W458-W599 AromaticContact NE1-CD2 3.77Å; W458-W599 AromaticContact NE1-CE2 3.57Å; W458-W599 AromaticContact NE1-CZ2 3.8Å; W458-W599 AromaticContact NE1-NE1 3.89Å; F462-W599 AromaticContact CE1-CE3 3.59Å; F462-W599 HydrophobicContact CE1-CE3 3.59Å; F462-W599 AromaticContact CE1-CZ3 3.86Å; F462-W599 HydrophobicContact CE1-CZ3 3.86Å; F462-W599 HydrophobicContact CE2-CE3 4.46Å; F462-W599 HydrophobicContact CE2-CZ3 4.35Å; F462-W599 HydrophobicContact CZ-CD2 4.08Å; F462-W599 AromaticContact CZ-CE3 3.25Å; F462-W599 HydrophobicContact CZ-CE3 3.25Å; F462-W599 HydrophobicContact CZ-CH2 4.28Å; F462-W599 AromaticContact CZ-CZ3 3.38Å; F462-W599 HydrophobicContact CZ-CZ3 3.38Å; I588-W599 HydrophobicContact CG2-CZ3 4.15Å; T597-W599 WeakPolarHBondContact CG2-O 3.37Å; W599-H799 PolarHBondContact NE1-O 3.36Å; W599-Y802 AromaticContact CD2-CD1 3.86Å; W599-Y802 HydrophobicContact CD2-CD1 3.86Å; W599-Y802 HydrophobicContact CD2-CE1 4.24Å; W599-Y802 AromaticContact CE2-CD1 3.67Å; W599-Y802 HydrophobicContact CE3-CD1 4.13Å; W599-Y802 HydrophobicContact CG-CD1 4.46Å; W599-Y802 HydrophobicContact CG-CE1 4.38Å; W599-Y802 VanDerWaalsContact CH2-CA 3.49Å; W599-Y802 HydrophobicContact CH2-CD1 4.18Å; W599-Y802 WeakPolarHBondContact CH2-O 3.49Å; W599-Y802 AromaticContact CZ2-CD1 3.87Å; W599-Y802 HydrophobicContact CZ2-CD1 3.87Å; W599-Y802 HydrophobicContact CZ3-CD1 4.28Å; W599-Y802 VanDerWaalsContact O-CE1 3.25Å; W599-Y802 WeakPolarHBondContact O-CE1 3.44Å; W599-Y802 PolarHBondContact O-OH 3.11Å; W599-W804 WeakPolarHBondContact CH2-O 3.24Å; W599-W804 WeakPolarHBondContact CZ2-O 3.48Å
600	M	97.3	Very high	95.9	Very high	11 Å²	11	20 Å²	20	5%	0.054	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	-180	174.6	-168.1	45.4	59.6	0	0	112	V444 L468 T597 L635 L800 Y802	V444-M600 HydrophobicContact CB-CB 4.4Å; V444-M600 PolarHBondContact N-O 3.5Å; V444-M600 PolarHBondContact O-N 3.48Å; L468-M600 HydrophobicContact CD2-CB 3.4Å; L468-M600 VanDerWaalsContact CD2-CB 3.4Å; L468-M600 HydrophobicContact CD2-CG 4.43Å; T597-M600 HydrophobicContact CG2-CE 3.9Å; M600-L635 HydrophobicContact CE-CD2 4.05Å; M600-L635 HydrophobicContact SD-CB 4.05Å; M600-L635 HydrophobicContact SD-CD1 4.31Å; M600-L635 HydrophobicContact SD-CD2 4.48Å; M600-L800 HydrophobicContact CE-CD2 4.2Å; M600-L800 HydrophobicContact SD-CD1 4.05Å; M600-L800 HydrophobicContact SD-CD2 3.58Å; M600-L800 VanDerWaalsContact SD-CD2 3.58Å; M600-L800 HydrophobicContact SD-CG 4.49Å; M600-Y802 VanDerWaalsContact CE-OH 3.24Å; M600-Y802 WeakPolarHBondContact CE-OH 3.38Å
601	I	96	Very high	95.9	Very high	5 Å²	5	20.1 Å²	20.1	3%	0.026	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	146.8	176.4	-163	65.4	0	0	0	109.5	Q441 N442 I443 L603 K796 H799 L800	Q441-I601 HydrophobicContact CB-CD1 3.6Å; N442-I601 WeakPolarHBondContact O-CD1 3.14Å; I443-I601 HydrophobicContact CD1-CD1 4.2Å; I601-L603 PolarHBondContact O-N 2.79Å; I601-L603 VanDerWaalsContact O-N 3.15Å; I601-K796 HydrophobicContact CG1-CB 4.03Å; I601-K796 HydrophobicContact CG1-CD 4.49Å; I601-K796 HydrophobicContact CG1-CG 3.93Å; I601-K796 HydrophobicContact CG2-CB 4.33Å; I601-H799 HydrophobicContact CD1-CB 4.31Å; I601-L800 HydrophobicContact CB-CD2 4.01Å; I601-L800 HydrophobicContact CB-CG 4.5Å; I601-L800 HydrophobicContact CG2-CD1 3.86Å; I601-L800 HydrophobicContact CG2-CD2 3.95Å; I601-L800 HydrophobicContact CG2-CG 4.1Å
602	E	91.4	Very high	95.9	Very high	68 Å²	68	20.1 Å²	20.1	32%	0.318	12%	0.115	S	C	.	.			trans	-64	114.5	172.1	-65.1	175.3	138.2	0	0	110.1	N442 V444 K449 K796	N442-E602 HydrophobicContact CB-CG 4.42Å; N442-E602 WeakPolarHBondContact CB-OE2 3.45Å; N442-E602 PolarHBondContact ND2-OE2 3.28Å; V444-E602 HydrophobicContact CG2-CG 4.03Å; K449-E602 WeakPolarHBondContact CD-OE1 3.39Å; K449-E602 WeakPolarHBondContact CE-OE1 3.44Å; K449-E602 IonicContact NZ-OE1 2.68Å; K449-E602 PolarHBondContact NZ-OE1 3.49Å; E602-K796 WeakPolarHBondContact O-CD 3.17Å; E602-K796 VanDerWaalsContact O-CE 3.25Å; E602-K796 WeakPolarHBondContact O-CE 3.38Å; E602-K796 PolarHBondContact O-NZ 3.36Å
603	L	92.9	Very high	95.8	Very high	17 Å²	17	20.3 Å²	20.3	9%	0.089	12%	0.116	C	C	.	.			trans	-123.6	98	-173.9	-176.1	64.8	0	0	0	110.9	I601 L605 L608 L635 L793	I601-L603 PolarHBondContact O-N 2.79Å; I601-L603 VanDerWaalsContact O-N 3.15Å; L603-L605 PolarHBondContact O-N 3Å; L603-L608 HydrophobicContact CD1-CD2 4.31Å; L603-L608 HydrophobicContact CD2-CD2 4.3Å; L603-L635 HydrophobicContact CD2-CB 3.88Å; L603-L635 HydrophobicContact CD2-CD1 4.46Å; L603-L793 HydrophobicContact CD1-CD1 3.53Å
604	P	90.2	Very high	95.5	Very high	108 Å²	108	21 Å²	21	70%	0.701	12%	0.119	S	C	*	.			trans	-84.1	50.4	-176.3	35.9	-37.2	0	0	0	112.2
605	L	91.4	Very high	95.2	Very high	28 Å²	28	21.8 Å²	21.8	15%	0.147	12%	0.123	C	C	.	.			trans	-144.3	101.2	179.6	-73.1	176.8	0	0	0	110.6	L603 L608 L785 L793	L603-L605 PolarHBondContact O-N 3Å; L605-L608 HydrophobicContact CB-CB 4.34Å; L605-L608 HydrophobicContact CB-CD2 3.99Å; L605-L608 HydrophobicContact CD1-CD2 3.87Å; L605-L785 HydrophobicContact CD1-CD1 4.12Å; L605-L785 HydrophobicContact CD2-CD2 4.43Å; L605-L793 HydrophobicContact CD1-CD1 4.23Å; L605-L793 HydrophobicContact CD1-CD2 3.86Å
606	S	91.6	Very high	94.9	Very high	63 Å²	63	21.8 Å²	21.8	44%	0.441	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	150	176.8	-30.5	0	0	0	0	112.2	L608 Q636 R679	S606-L608 VanDerWaalsContact C-N 3.27Å; S606-L608 PolarHBondContact O-N 2.99Å; S606-Q636 PolarHBondContact OG-OE1 2.95Å; S606-R679 PolarHBondContact O-NH1 2.97Å
607	G	95.2	Very high	94.4	Very high	5 Å²	5	24.5 Å²	24.5	5%	0.052	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.5	25.6	174.2	0	0	0	0	0	113.7	D634 Y669 P677 S678 R679	G607-D634 VanDerWaalsContact CA-OD2 3.28Å; G607-D634 WeakPolarHBondContact CA-OD2 3.39Å; G607-D634 PolarHBondContact N-OD2 3.49Å; G607-Y669 WeakPolarHBondContact CA-OH 3.41Å; G607-P677 CarbonylContact O-C 3.51Å; G607-S678 PolarHBondContact O-N 2.84Å; G607-R679 PolarHBondContact O-N 3.05Å; G607-R679 VanDerWaalsContact O-N 3.07Å
608	L	97.5	Very high	94	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	117.8	-174.6	175.9	59.4	0	0	0	112.2	L603 L605 S606 R679 V681 L793	L603-L608 HydrophobicContact CD1-CD2 4.31Å; L603-L608 HydrophobicContact CD2-CD2 4.3Å; L605-L608 HydrophobicContact CB-CB 4.34Å; L605-L608 HydrophobicContact CB-CD2 3.99Å; L605-L608 HydrophobicContact CD1-CD2 3.87Å; S606-L608 VanDerWaalsContact C-N 3.27Å; S606-L608 PolarHBondContact O-N 2.99Å; L608-R679 HydrophobicContact CD1-CB 3.94Å; L608-V681 HydrophobicContact CD1-CB 4.37Å; L608-V681 HydrophobicContact CD1-CG2 3.84Å; L608-L793 HydrophobicContact CD2-CD1 4.05Å; L608-L793 HydrophobicContact CD2-CD2 4.23Å
609	M	98.6	Very high	93.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	115.8	166.3	-174	-173.4	-162.3	0	0	109.4	I611 A631 A665 L666 Y669 P677 R679 I680 V681	M609-I611 HydrophobicContact CE-CD1 4.04Å; M609-I611 HydrophobicContact CE-CG1 4.3Å; M609-I611 HydrophobicContact CG-CD1 4.36Å; M609-I611 HydrophobicContact CG-CG1 4.02Å; M609-I611 HydrophobicContact SD-CD1 3.95Å; M609-I611 HydrophobicContact SD-CG1 4.25Å; M609-A631 HydrophobicContact CE-CB 3.52Å; M609-A631 HydrophobicContact CG-CB 4.4Å; M609-A665 HydrophobicContact CE-CB 3.35Å; M609-L666 HydrophobicContact CE-CD2 4.43Å; M609-L666 HydrophobicContact SD-CD2 3.84Å; M609-Y669 HydrophobicContact CB-CD2 4.27Å; M609-Y669 HydrophobicContact CB-CE2 4.19Å; M609-Y669 HydrophobicContact CG-CD2 4.36Å; M609-P677 HydrophobicContact CB-CB 3.7Å; M609-P677 HydrophobicContact CB-CG 3.85Å; M609-P677 HydrophobicContact CG-CG 4.47Å; M609-P677 HydrophobicContact SD-CG 3.79Å; M609-R679 PolarHBondContact N-O 3.42Å; M609-I680 HydrophobicContact CB-CG1 4.45Å; M609-I680 VanDerWaalsContact O-CA 3.31Å; M609-I680 WeakPolarHBondContact O-CA 3.41Å; M609-V681 PolarHBondContact O-N 3.27Å
610	T	98.6	Very high	92.5	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.006	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	125.1	171.8	-51.7	0	0	0	0	109.3	A631 S632 V681 Y683 M797 V813	T610-A631 CarbonylContact O-C 3.52Å; T610-A631 WeakPolarHBondContact O-CA 3.38Å; T610-S632 PolarHBondContact N-OG 2.72Å; T610-S632 PolarHBondContact O-N 3.45Å; T610-V681 CarbonylContact C-O 3.56Å; T610-V681 WeakPolarHBondContact CA-O 2.95Å; T610-V681 HydrophobicContact CG2-CB 4.46Å; T610-Y683 HydrophobicContact CG2-CD2 3.74Å; T610-Y683 HydrophobicContact CG2-CE2 3.59Å; T610-M797 HydrophobicContact CG2-CE 3.9Å; T610-M797 HydrophobicContact CG2-CG 4.38Å; T610-V813 HydrophobicContact CG2-CG1 4.38Å; T610-V813 HydrophobicContact CG2-CG2 3.99Å
611	I	98.7	Very high	91.7	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	139.2	-177.1	-55.1	-179.9	0	0	0	109.4	M609 L629 I630 A631 I680 V681 F682 Y683	M609-I611 HydrophobicContact CE-CD1 4.04Å; M609-I611 HydrophobicContact CE-CG1 4.3Å; M609-I611 HydrophobicContact CG-CD1 4.36Å; M609-I611 HydrophobicContact CG-CG1 4.02Å; M609-I611 HydrophobicContact SD-CD1 3.95Å; M609-I611 HydrophobicContact SD-CG1 4.25Å; I611-L629 HydrophobicContact CG2-CD1 3.8Å; I611-L629 HydrophobicContact CG2-CD2 4.03Å; I611-L629 HydrophobicContact CG2-CG 3.73Å; I611-I630 CarbonylContact C-O 3.56Å; I611-I630 VanDerWaalsContact CA-O 3.27Å; I611-I630 WeakPolarHBondContact CA-O 3.23Å; I611-A631 HydrophobicContact CG1-CB 4.14Å; I611-I680 HydrophobicContact CD1-CG2 3.76Å; I611-I680 HydrophobicContact CG1-CG2 4.25Å; I611-V681 PolarHBondContact N-O 2.79Å; I611-F682 HydrophobicContact CB-CD2 3.75Å; I611-F682 HydrophobicContact CB-CE2 4.26Å; I611-F682 HydrophobicContact CB-CG 4.37Å; I611-F682 HydrophobicContact CD1-CD2 4.16Å; I611-F682 HydrophobicContact CG2-CD2 3.57Å; I611-F682 HydrophobicContact CG2-CE2 3.54Å; I611-F682 HydrophobicContact CG2-CG 4.45Å; I611-F682 HydrophobicContact CG2-CZ 4.4Å; I611-Y683 PolarHBondContact O-N 2.8Å
612	G	98	Very high	90.7	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	135.7	171.1	0	0	0	0	0	110.7	L629 I630 Y683	G612-L629 WeakPolarHBondContact O-CA 3.49Å; G612-I630 PolarHBondContact N-O 3.18Å; G612-I630 PolarHBondContact O-N 3.29Å; G612-Y683 WeakPolarHBondContact CA-O 3.4Å
613	F	95.4	Very high	90.2	Very high	5 Å²	5	52 Å²	52	2%	0.022	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	130.8	179.6	-174.9	-123.8	0	0	0	111	I615 A628 L629 L658 M661 F682 Y683 D685	F613-I615 HydrophobicContact CE1-CD1 3.67Å; F613-I615 HydrophobicContact CE1-CG1 3.93Å; F613-I615 HydrophobicContact CE2-CG1 4.37Å; F613-I615 HydrophobicContact CZ-CD1 3.74Å; F613-I615 HydrophobicContact CZ-CG1 3.75Å; F613-A628 VanDerWaalsContact CD2-O 3.23Å; F613-A628 WeakPolarHBondContact CD2-O 3.38Å; F613-L629 HydrophobicContact CD2-CB 4.14Å; F613-L658 HydrophobicContact CD1-CD1 3.94Å; F613-L658 HydrophobicContact CD1-CD2 4.37Å; F613-L658 HydrophobicContact CD2-CD1 3.98Å; F613-L658 HydrophobicContact CE1-CD1 3.98Å; F613-L658 HydrophobicContact CE1-CD2 4.34Å; F613-L658 HydrophobicContact CE2-CD1 4.05Å; F613-L658 HydrophobicContact CG-CD1 3.97Å; F613-L658 HydrophobicContact CZ-CD1 4.05Å; F613-M661 HydrophobicContact CD2-CE 4.33Å; F613-M661 HydrophobicContact CE2-CE 3.56Å; F613-M661 HydrophobicContact CZ-CE 4.16Å; F613-F682 HydrophobicContact CB-CE1 3.99Å; F613-F682 HydrophobicContact CB-CZ 3.63Å; F613-F682 HydrophobicContact CD1-CZ 4.38Å; F613-F682 HydrophobicContact CG-CZ 4.25Å; F613-Y683 PolarHBondContact N-O 3.33Å; F613-D685 PolarHBondContact O-N 3.26Å
614	D	92.6	Very high	89.9	Confident	15 Å²	15	56.3 Å²	56.3	8%	0.08	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	159.5	175	-166	15.5	0	0	0	110	A628 D685 A817 K818	D614-A628 PolarHBondContact N-O 3.28Å; D614-A628 PolarHBondContact O-N 3.21Å; D614-D685 HydrophobicContact CB-CB 4.24Å; D614-A817 HydrophobicContact CB-CB 4.03Å; D614-K818 HydrophobicContact CB-CB 4.3Å; D614-K818 WeakPolarHBondContact OD2-CA 3.18Å; D614-K818 WeakPolarHBondContact OD2-CB 3.29Å; D614-K818 WeakPolarHBondContact OD2-CD 3.41Å; D614-K818 WeakPolarHBondContact OD2-CG 3.43Å
615	I	89.9	Confident	89.9	Confident	35 Å²	35	51.2 Å²	51.2	18%	0.179	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	128	-168.7	-54.7	178.7	0	0	0	110.3	F613 A625 Y626 V653	F613-I615 HydrophobicContact CE1-CD1 3.67Å; F613-I615 HydrophobicContact CE1-CG1 3.93Å; F613-I615 HydrophobicContact CE2-CG1 4.37Å; F613-I615 HydrophobicContact CZ-CD1 3.74Å; F613-I615 HydrophobicContact CZ-CG1 3.75Å; I615-A625 HydrophobicContact CG2-CB 3.88Å; I615-Y626 WeakPolarHBondContact CA-O 3.12Å; I615-V653 HydrophobicContact CD1-CG1 3.26Å; I615-V653 HydrophobicContact CG2-CG1 4.3Å
616	A	88.9	Confident	90	Very high	15 Å²	15	50 Å²	50	12%	0.124	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	136	177.6	0	0	0	0	0	111.4	A625 Y626 A821	A616-A625 CarbonylContact O-C 3.42Å; A616-A625 VanDerWaalsContact O-CA 3.28Å; A616-A625 WeakPolarHBondContact O-CA 3.21Å; A616-Y626 PolarHBondContact N-O 3.06Å; A616-Y626 PolarHBondContact O-N 2.81Å; A616-A821 VanDerWaalsContact CB-C 3.46Å; A616-A821 HydrophobicContact CB-CB 3.77Å; A616-A821 WeakPolarHBondContact CB-O 3.46Å
617	K	87.8	Confident	90	Very high	138 Å²	138	47 Å²	47	60%	0.6	21%	0.209	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-72.7	144.5	172.6	-63.8	-168.8	176.4	-165.1	0	110.5
618	S	87.9	Confident	90	Very high	5 Å²	5	46.8 Å²	46.8	4%	0.035	21%	0.206	C	C	.	.			trans	-70.1	133.2	173.1	-176.2	0	0	0	0	110.3	R620 D621 R624 G825 H829	S618-R620 VanDerWaalsContact C-N 3.3Å; S618-R620 PolarHBondContact OG-N 3.18Å; S618-D621 WeakPolarHBondContact CB-O 3.45Å; S618-D621 PolarHBondContact OG-N 3.23Å; S618-R624 PolarHBondContact N-O 3.26Å; S618-G825 CarbonylContact C-O 3.45Å; S618-G825 WeakPolarHBondContact CA-O 3.16Å; S618-H829 PolarHBondContact OG-ND1 2.66Å
619	T	83.6	Confident	90	Very high	93 Å²	93	46.8 Å²	46.8	57%	0.571	21%	0.206	S	C	*	.	S	Bend	trans	-75	-23.4	174.2	57.1	0	0	0	0	112.2	G825 T826 H829	T619-G825 PolarHBondContact N-O 3.25Å; T619-G825 PolarHBondContact OG1-O 2.81Å; T619-T826 HydrophobicContact CG2-CG2 4.2Å; T619-H829 PolarHBondContact OG1-CE1 2.78Å; T619-H829 VanDerWaalsContact OG1-CE1 3.3Å
620	R	79.6	Confident	90	Very high	194 Å²	194	46.8 Å²	46.8	73%	0.732	21%	0.206	S	C	*	.	S	Bend	trans	-82.3	-37.6	178.5	-177.3	179.9	174	-153.4	-2.4	113.4	S618	S618-R620 VanDerWaalsContact C-N 3.3Å; S618-R620 PolarHBondContact OG-N 3.18Å
621	D	79.8	Confident	90	Very high	49 Å²	49	46.7 Å²	46.7	26%	0.262	21%	0.206	S	C	.	.			trans	-135.8	105.7	179.5	-179.5	-4	0	0	0	110.2	S618 K623 R624	S618-D621 WeakPolarHBondContact CB-O 3.45Å; S618-D621 PolarHBondContact OG-N 3.23Å; D621-K623 PolarHBondContact O-N 3.21Å; D621-K623 VanDerWaalsContact OD1-CB 3.3Å; D621-K623 WeakPolarHBondContact OD1-CB 3.41Å; D621-K623 PolarHBondContact OD1-N 2.99Å; D621-R624 HydrophobicContact CB-CB 4.46Å; D621-R624 HydrophobicContact CB-CG 4.2Å; D621-R624 PolarHBondContact O-N 3.4Å; D621-R624 WeakPolarHBondContact OD2-CD 3.45Å; D621-R624 WeakPolarHBondContact OD2-CG 3.21Å; D621-R624 IonicContact OD2-CZ 3.8Å; D621-R624 IonicContact OD2-NE 2.72Å; D621-R624 PolarHBondContact OD2-NE 3.05Å
622	R	75.3	Confident	90	Very high	176 Å²	176	46.7 Å²	46.7	66%	0.664	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-12.4	-177.9	-64.6	-176	-178.6	177.7	3.2	113.9	D288 A650	D288-R622 IonicContact OD2-CZ 2.97Å; D288-R622 IonicContact OD2-NH1 2.69Å; D288-R622 PolarHBondContact OD2-NH1 3.22Å; R622-A650 WeakPolarHBondContact O-CB 3.34Å
623	K	81.1	Confident	90	Very high	144 Å²	144	46.7 Å²	46.7	63%	0.626	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-15.9	174.4	-54.6	-172.2	179	176.6	0	113	D621 A650 F651	D621-K623 PolarHBondContact O-N 3.21Å; D621-K623 VanDerWaalsContact OD1-CB 3.3Å; D621-K623 WeakPolarHBondContact OD1-CB 3.41Å; D621-K623 PolarHBondContact OD1-N 2.99Å; K623-A650 VanDerWaalsContact C-CB 3.5Å; K623-A650 VanDerWaalsContact O-CB 3.3Å; K623-A650 WeakPolarHBondContact O-CB 3.38Å; K623-A650 PolarHBondContact O-N 3.4Å; K623-F651 HydrophobicContact CB-CE2 3.91Å; K623-F651 HydrophobicContact CG-CE2 3.89Å; K623-F651 HydrophobicContact CG-CZ 4.36Å
624	R	86.8	Confident	89.8	Confident	107 Å²	107	46.5 Å²	46.5	40%	0.404	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	145.6	-178.7	-62.8	173.5	-166.1	-123.3	4	112.1	S618 D621 E647	S618-R624 PolarHBondContact N-O 3.26Å; D621-R624 HydrophobicContact CB-CB 4.46Å; D621-R624 HydrophobicContact CB-CG 4.2Å; D621-R624 PolarHBondContact O-N 3.4Å; D621-R624 WeakPolarHBondContact OD2-CD 3.45Å; D621-R624 WeakPolarHBondContact OD2-CG 3.21Å; D621-R624 IonicContact OD2-CZ 3.8Å; D621-R624 IonicContact OD2-NE 2.72Å; D621-R624 PolarHBondContact OD2-NE 3.05Å; R624-E647 VanDerWaalsContact CD-OE1 3.22Å; R624-E647 WeakPolarHBondContact CD-OE1 3.4Å; R624-E647 IonicContact CZ-OE1 2.87Å; R624-E647 IonicContact NE-OE1 2.89Å; R624-E647 IonicContact NH1-OE1 3.23Å; R624-E647 PolarHBondContact NH1-OE1 3.16Å; R624-E647 IonicContact NH1-OE2 3.83Å
625	A	89.9	Confident	89.9	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.008	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	161.3	167.7	0	0	0	0	0	110.2	I615 A616 C648 A650	I615-A625 HydrophobicContact CG2-CB 3.88Å; A616-A625 CarbonylContact O-C 3.42Å; A616-A625 VanDerWaalsContact O-CA 3.28Å; A616-A625 WeakPolarHBondContact O-CA 3.21Å; A625-C648 PolarHBondContact N-O 3.34Å; A625-C648 PolarHBondContact O-N 3.44Å; A625-C648 VanDerWaalsContact O-O 3.13Å; A625-C648 PolarHBondContact O-SG 2.96Å; A625-C648 VanDerWaalsContact O-SG 3.36Å; A625-A650 HydrophobicContact CB-CB 4.25Å
626	Y	92.5	Very high	89.8	Confident	3 Å²	3	49.3 Å²	49.3	1%	0.012	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	120.3	177.1	-63.6	-77.1	0	0	0	109.2	I615 A616 V645 T646 E647 V824	I615-Y626 WeakPolarHBondContact CA-O 3.12Å; A616-Y626 PolarHBondContact N-O 3.06Å; A616-Y626 PolarHBondContact O-N 2.81Å; Y626-V645 HydrophobicContact CD1-CG1 4.46Å; Y626-T646 WeakPolarHBondContact CA-O 3.41Å; Y626-E647 HydrophobicContact CD1-CB 4.02Å; Y626-E647 HydrophobicContact CD1-CG 4.16Å; Y626-E647 HydrophobicContact CE1-CB 3.73Å; Y626-E647 HydrophobicContact CE1-CG 3.64Å; Y626-E647 WeakPolarHBondContact CE1-OE2 3.09Å; Y626-E647 VanDerWaalsContact CZ-OE2 3.29Å; Y626-E647 PolarHBondContact OH-OE2 3.1Å; Y626-V824 HydrophobicContact CD1-CG1 3.54Å; Y626-V824 HydrophobicContact CD2-CB 4.47Å; Y626-V824 HydrophobicContact CD2-CG1 3.79Å; Y626-V824 HydrophobicContact CE1-CG1 3.93Å; Y626-V824 HydrophobicContact CE2-CG1 4.13Å; Y626-V824 HydrophobicContact CG-CB 4.25Å; Y626-V824 HydrophobicContact CG-CG1 3.48Å; Y626-V824 VanDerWaalsContact CG-CG1 3.48Å
627	G	93	Very high	89.6	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	126.8	171.8	0	0	0	0	0	109.6	V645 T646	G627-V645 WeakPolarHBondContact O-CA 3.26Å; G627-V645 WeakPolarHBondContact O-CG1 3.43Å; G627-T646 PolarHBondContact N-O 3.1Å; G627-T646 PolarHBondContact O-N 3.3Å
628	A	95.6	Very high	89.6	Confident	0 Å²	0	50 Å²	50	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	126.4	178	0	0	0	0	0	110.4	F613 D614 T644 V645 A817 L820 A821	F613-A628 VanDerWaalsContact CD2-O 3.23Å; F613-A628 WeakPolarHBondContact CD2-O 3.38Å; D614-A628 PolarHBondContact N-O 3.28Å; D614-A628 PolarHBondContact O-N 3.21Å; A628-T644 WeakPolarHBondContact CA-O 3.17Å; A628-V645 HydrophobicContact CB-CG2 4.04Å; A628-A817 WeakPolarHBondContact CB-O 3.5Å; A628-A817 WeakPolarHBondContact O-CB 3.36Å; A628-L820 HydrophobicContact CB-CB 4.05Å; A628-L820 HydrophobicContact CB-CD2 4.09Å; A628-L820 HydrophobicContact CB-CG 3.88Å; A628-A821 HydrophobicContact CB-CB 3.75Å
629	L	97.4	Very high	89.7	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	130.6	177.4	-176.3	146.8	0	0	0	109.9	I611 G612 F613 A631 S643 T644 L658 M661 I662 A665 F682	I611-L629 HydrophobicContact CG2-CD1 3.8Å; I611-L629 HydrophobicContact CG2-CD2 4.03Å; I611-L629 HydrophobicContact CG2-CG 3.73Å; G612-L629 WeakPolarHBondContact O-CA 3.49Å; F613-L629 HydrophobicContact CD2-CB 4.14Å; L629-A631 HydrophobicContact CD2-CB 4.31Å; L629-S643 WeakPolarHBondContact O-CA 3.44Å; L629-T644 HydrophobicContact CB-CG2 4.14Å; L629-T644 HydrophobicContact CD2-CG2 4.35Å; L629-T644 PolarHBondContact N-O 3.01Å; L629-T644 PolarHBondContact O-N 3.22Å; L629-L658 HydrophobicContact CD1-CD1 3.82Å; L629-M661 HydrophobicContact CB-CB 3.96Å; L629-M661 HydrophobicContact CB-CE 4.36Å; L629-M661 HydrophobicContact CB-SD 4.03Å; L629-M661 HydrophobicContact CD1-CB 3.94Å; L629-M661 HydrophobicContact CG-CB 4.37Å; L629-I662 HydrophobicContact CD1-CG1 3.62Å; L629-A665 HydrophobicContact CD2-CB 4.13Å; L629-F682 HydrophobicContact CD1-CE2 4.33Å
630	I	98.5	Very high	90.2	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	132.5	175.3	-51.1	-63	0	0	0	108.4	I611 G612 Y641 F642 V813 Y816 A817 L820 Y842	I611-I630 CarbonylContact C-O 3.56Å; I611-I630 VanDerWaalsContact CA-O 3.27Å; I611-I630 WeakPolarHBondContact CA-O 3.23Å; G612-I630 PolarHBondContact N-O 3.18Å; G612-I630 PolarHBondContact O-N 3.29Å; I630-Y641 HydrophobicContact CG2-CD1 3.98Å; I630-F642 CarbonylContact C-O 3.58Å; I630-F642 WeakPolarHBondContact CA-O 3.32Å; I630-V813 HydrophobicContact CG2-CG1 4.43Å; I630-Y816 HydrophobicContact CG2-CD2 4.43Å; I630-A817 HydrophobicContact CG1-CB 3.89Å; I630-A817 VanDerWaalsContact CG1-N 3.34Å; I630-L820 HydrophobicContact CD1-CD2 3.74Å; I630-Y842 HydrophobicContact CD1-CE1 4.38Å
631	A	98.6	Very high	91.1	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	138.4	178.2	0	0	0	0	0	111.6	M609 T610 I611 L629 Y641 F642 A665	M609-A631 HydrophobicContact CE-CB 3.52Å; M609-A631 HydrophobicContact CG-CB 4.4Å; T610-A631 CarbonylContact O-C 3.52Å; T610-A631 WeakPolarHBondContact O-CA 3.38Å; I611-A631 HydrophobicContact CG1-CB 4.14Å; L629-A631 HydrophobicContact CD2-CB 4.31Å; A631-Y641 CarbonylContact O-C 3.59Å; A631-Y641 WeakPolarHBondContact O-CA 3.38Å; A631-F642 PolarHBondContact N-O 2.73Å; A631-F642 PolarHBondContact O-N 2.7Å; A631-A665 HydrophobicContact CB-CB 3.87Å
632	S	98.4	Very high	92	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.007	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	146.4	171.7	68.6	0	0	0	0	112.3	T610	T610-S632 PolarHBondContact N-OG 2.72Å; T610-S632 PolarHBondContact O-N 3.45Å
633	M	97.1	Very high	93.1	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.129	C	C	.	.	S	Bend	trans	-105.1	66.8	-178.5	-64.7	-55.8	169.8	0	0	112.7	N638 T640 F642 A665 Q668 Y669 H673	M633-N638 WeakPolarHBondContact O-CB 3.28Å; M633-T640 PolarHBondContact N-O 3.47Å; M633-F642 HydrophobicContact CE-CB 3.28Å; M633-F642 HydrophobicContact CE-CG 4.01Å; M633-A665 WeakPolarHBondContact CE-O 3.47Å; M633-Q668 HydrophobicContact CE-CB 3.89Å; M633-Q668 HydrophobicContact CE-CG 3.93Å; M633-Y669 WeakPolarHBondContact SD-CA 3.47Å; M633-Y669 VanDerWaalsContact SD-CB 3.51Å; M633-Y669 HydrophobicContact SD-CD2 3.59Å; M633-Y669 VanDerWaalsContact SD-CD2 3.59Å; M633-Y669 HydrophobicContact SD-CG 3.92Å; M633-H673 PolarHBondContact O-CE1 3.05Å; M633-H673 PolarHBondContact O-NE2 3.31Å
634	D	92.1	Very high	93.8	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.102	C	C	.	.			trans	53.1	80.3	-174.8	-159.1	-20.2	0	0	0	113.2	G607 Q636 Q637 N638 Y669	G607-D634 VanDerWaalsContact CA-OD2 3.28Å; G607-D634 WeakPolarHBondContact CA-OD2 3.39Å; G607-D634 PolarHBondContact N-OD2 3.49Å; D634-Q636 PolarHBondContact O-N 2.84Å; D634-Q636 PolarHBondContact OD1-N 2.95Å; D634-Q637 PolarHBondContact O-N 2.8Å; D634-N638 CarbonylContact C-O 3.49Å; D634-N638 CarbonylContact O-C 3.6Å; D634-N638 PolarHBondContact O-N 3.4Å; D634-N638 VanDerWaalsContact O-O 3.13Å; D634-Y669 HydrophobicContact CB-CE2 4.02Å; D634-Y669 WeakPolarHBondContact CB-OH 3.41Å; D634-Y669 PolarHBondContact OD2-OH 2.82Å
635	L	94.3	Very high	94.3	Very high	8 Å²	8	16.8 Å²	16.8	4%	0.042	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-12.9	-174	-60.4	176.6	0	0	0	114.5	M600 L603 Y641 M797 L800	M600-L635 HydrophobicContact CE-CD2 4.05Å; M600-L635 HydrophobicContact SD-CB 4.05Å; M600-L635 HydrophobicContact SD-CD1 4.31Å; M600-L635 HydrophobicContact SD-CD2 4.48Å; L603-L635 HydrophobicContact CD2-CB 3.88Å; L603-L635 HydrophobicContact CD2-CD1 4.46Å; L635-Y641 HydrophobicContact CD2-CE2 3.91Å; L635-M797 HydrophobicContact CD1-CE 3.88Å; L635-M797 HydrophobicContact CD1-SD 4.46Å; L635-L800 HydrophobicContact CD1-CD1 3.69Å
636	Q	86.8	Confident	94.4	Very high	102 Å²	102	18.3 Å²	18.3	48%	0.477	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-31.8	172.3	-172.5	-179	-4	0	0	112.1	S606 D634	S606-Q636 PolarHBondContact OG-OE1 2.95Å; D634-Q636 PolarHBondContact O-N 2.84Å; D634-Q636 PolarHBondContact OD1-N 2.95Å
637	Q	86.6	Confident	94.3	Very high	124 Å²	124	21.3 Å²	21.3	58%	0.579	11%	0.108	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.9	-40.9	-176.7	-56.3	-165	-6.1	0	0	112.5	D634	D634-Q637 PolarHBondContact O-N 2.8Å
638	N	86.1	Confident	94	Very high	42 Å²	42	22 Å²	22	23%	0.225	11%	0.113	C	C	.	.			trans	-135.9	106	-173.9	170.5	0.7	0	0	0	109.1	M633 D634 T640 E672	M633-N638 WeakPolarHBondContact O-CB 3.28Å; D634-N638 CarbonylContact C-O 3.49Å; D634-N638 CarbonylContact O-C 3.6Å; D634-N638 PolarHBondContact O-N 3.4Å; D634-N638 VanDerWaalsContact O-O 3.13Å; N638-T640 PolarHBondContact O-N 2.63Å; N638-T640 WeakPolarHBondContact OD1-CB 3.45Å; N638-T640 VanDerWaalsContact OD1-CG2 3.28Å; N638-T640 WeakPolarHBondContact OD1-CG2 3.31Å; N638-T640 PolarHBondContact OD1-N 3.49Å; N638-T640 PolarHBondContact OD1-OG1 2.72Å; N638-E672 PolarHBondContact ND2-OE2 3.2Å
639	S	89.8	Confident	93.2	Very high	18 Å²	18	24.3 Å²	24.3	13%	0.126	13%	0.129	C	C	.	.			trans	-71.1	16.8	-171.8	65.6	0	0	0	0	116.1	T597	T597-S639 WeakPolarHBondContact CB-OG 3.48Å; T597-S639 WeakPolarHBondContact OG1-CB 3.42Å; T597-S639 PolarHBondContact OG1-O 2.99Å; T597-S639 PolarHBondContact OG1-OG 2.88Å
640	T	95.1	Very high	92	Very high	25 Å²	25	24.6 Å²	24.6	15%	0.153	13%	0.132	C	C	.	.			trans	-103.4	170	-171.1	67.1	0	0	0	0	114	M633 N638 K838	M633-T640 PolarHBondContact N-O 3.47Å; N638-T640 PolarHBondContact O-N 2.63Å; N638-T640 WeakPolarHBondContact OD1-CB 3.45Å; N638-T640 VanDerWaalsContact OD1-CG2 3.28Å; N638-T640 WeakPolarHBondContact OD1-CG2 3.31Å; N638-T640 PolarHBondContact OD1-N 3.49Å; N638-T640 PolarHBondContact OD1-OG1 2.72Å; T640-K838 PolarHBondContact OG1-NZ 3.17Å
641	Y	98.2	Very high	90.4	Very high	7 Å²	7	32.2 Å²	32.2	3%	0.027	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	158.8	-179.2	-65	-104.7	0	0	0	110.6	I630 A631 L635 Y802 V813 Y816 K838 F840	I630-Y641 HydrophobicContact CG2-CD1 3.98Å; A631-Y641 CarbonylContact O-C 3.59Å; A631-Y641 WeakPolarHBondContact O-CA 3.38Å; L635-Y641 HydrophobicContact CD2-CE2 3.91Å; Y641-Y802 HydrophobicContact CE2-CE2 4.3Å; Y641-V813 HydrophobicContact CD1-CG1 4.22Å; Y641-V813 HydrophobicContact CE1-CG1 3.76Å; Y641-Y816 HydrophobicContact CE1-CE2 4.46Å; Y641-K838 WeakPolarHBondContact O-CE 3.36Å; Y641-F840 HydrophobicContact CD2-CE1 4.08Å; Y641-F840 HydrophobicContact CD2-CE2 4.15Å; Y641-F840 AromaticContact CD2-CZ 3.31Å; Y641-F840 HydrophobicContact CD2-CZ 3.31Å; Y641-F840 AromaticContact CE2-CZ 3.85Å; Y641-F840 HydrophobicContact CE2-CZ 3.85Å; Y641-F840 HydrophobicContact CG-CE1 4.24Å; Y641-F840 AromaticContact CG-CZ 3.9Å; Y641-F840 HydrophobicContact CG-CZ 3.9Å
642	F	98.5	Very high	88.9	Confident	2 Å²	2	36.2 Å²	36.2	1%	0.009	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	143.4	168.6	173.6	-96	0	0	0	108.8	I630 A631 M633 T644 K664 A665 Q668 E837 K838	I630-F642 CarbonylContact C-O 3.58Å; I630-F642 WeakPolarHBondContact CA-O 3.32Å; A631-F642 PolarHBondContact N-O 2.73Å; A631-F642 PolarHBondContact O-N 2.7Å; M633-F642 HydrophobicContact CE-CB 3.28Å; M633-F642 HydrophobicContact CE-CG 4.01Å; F642-T644 HydrophobicContact CE1-CG2 3.69Å; F642-T644 HydrophobicContact CZ-CG2 4.37Å; F642-K664 HydrophobicContact CE1-CB 4.14Å; F642-K664 HydrophobicContact CZ-CB 3.87Å; F642-A665 HydrophobicContact CD1-CB 3.65Å; F642-A665 HydrophobicContact CE1-CB 3.88Å; F642-Q668 HydrophobicContact CD2-CB 4Å; F642-Q668 HydrophobicContact CD2-CG 3.78Å; F642-Q668 HydrophobicContact CE2-CB 4.24Å; F642-Q668 HydrophobicContact CE2-CG 4.33Å; F642-Q668 HydrophobicContact CG-CB 4.47Å; F642-Q668 HydrophobicContact CG-CG 4.42Å; F642-E837 CarbonylContact C-O 3.6Å; F642-E837 WeakPolarHBondContact CA-O 3.14Å; F642-E837 HydrophobicContact CD2-CB 3.87Å; F642-E837 HydrophobicContact CE2-CB 3.66Å; F642-E837 HydrophobicContact CE2-CG 3.91Å; F642-E837 WeakPolarHBondContact CE2-OE2 3.43Å; F642-E837 HydrophobicContact CZ-CB 4.49Å; F642-E837 HydrophobicContact CZ-CG 4.32Å; F642-K838 HydrophobicContact CB-CD 4.49Å
643	S	98.1	Very high	87.1	Confident	2 Å²	2	38.7 Å²	38.7	1%	0.014	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	129.8	-176.9	61.4	0	0	0	0	110.9	L629 E837	L629-S643 WeakPolarHBondContact O-CA 3.44Å; S643-E837 PolarHBondContact N-O 3.47Å; S643-E837 WeakPolarHBondContact O-CG 3.35Å; S643-E837 PolarHBondContact OG-O 2.85Å
644	T	97.3	Very high	85.5	Confident	9 Å²	9	40.9 Å²	40.9	6%	0.055	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	154.8	178.6	-173.2	0	0	0	0	110.1	A628 L629 F642 M661 K664	A628-T644 WeakPolarHBondContact CA-O 3.17Å; L629-T644 HydrophobicContact CB-CG2 4.14Å; L629-T644 HydrophobicContact CD2-CG2 4.35Å; L629-T644 PolarHBondContact N-O 3.01Å; L629-T644 PolarHBondContact O-N 3.22Å; F642-T644 HydrophobicContact CE1-CG2 3.69Å; F642-T644 HydrophobicContact CZ-CG2 4.37Å; T644-M661 HydrophobicContact CG2-CB 3.54Å; T644-M661 HydrophobicContact CG2-CG 3.6Å; T644-M661 HydrophobicContact CG2-SD 4Å; T644-K664 PolarHBondContact OG1-NZ 2.73Å; T644-K664 VanDerWaalsContact OG1-NZ 3.15Å
645	V	95.8	Very high	83.6	Confident	9 Å²	9	42.6 Å²	42.6	6%	0.055	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	145.2	-178.6	-171.2	0	0	0	0	109.7	Y626 G627 A628 L820 V824	Y626-V645 HydrophobicContact CD1-CG1 4.46Å; G627-V645 WeakPolarHBondContact O-CA 3.26Å; G627-V645 WeakPolarHBondContact O-CG1 3.43Å; A628-V645 HydrophobicContact CB-CG2 4.04Å; V645-L820 HydrophobicContact CG2-CD1 3.75Å; V645-L820 HydrophobicContact CG2-CD2 3.51Å; V645-L820 HydrophobicContact CG2-CG 3.45Å; V645-L820 VanDerWaalsContact CG2-CG 3.45Å; V645-V824 HydrophobicContact CG1-CB 4.42Å; V645-V824 HydrophobicContact CG1-CG1 4.26Å; V645-V824 HydrophobicContact CG1-CG2 4.14Å; V645-V824 HydrophobicContact CG2-CG2 4.2Å
646	T	93.2	Very high	82.1	Confident	33 Å²	33	47.5 Å²	47.5	20%	0.202	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	155	171	-165.5	0	0	0	0	111.1	Y626 G627 M661	Y626-T646 WeakPolarHBondContact CA-O 3.41Å; G627-T646 PolarHBondContact N-O 3.1Å; G627-T646 PolarHBondContact O-N 3.3Å; T646-M661 HydrophobicContact CG2-CE 3.51Å; T646-M661 HydrophobicContact CG2-SD 3.72Å
647	E	90.9	Very high	81.7	Confident	65 Å²	65	44.6 Å²	44.6	30%	0.304	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	141.6	170	-167.2	168.3	123.5	0	0	109.9	R624 Y626	R624-E647 VanDerWaalsContact CD-OE1 3.22Å; R624-E647 WeakPolarHBondContact CD-OE1 3.4Å; R624-E647 IonicContact CZ-OE1 2.87Å; R624-E647 IonicContact NE-OE1 2.89Å; R624-E647 IonicContact NH1-OE1 3.23Å; R624-E647 PolarHBondContact NH1-OE1 3.16Å; R624-E647 IonicContact NH1-OE2 3.83Å; Y626-E647 HydrophobicContact CD1-CB 4.02Å; Y626-E647 HydrophobicContact CD1-CG 4.16Å; Y626-E647 HydrophobicContact CE1-CB 3.73Å; Y626-E647 HydrophobicContact CE1-CG 3.64Å; Y626-E647 WeakPolarHBondContact CE1-OE2 3.09Å; Y626-E647 VanDerWaalsContact CZ-OE2 3.29Å; Y626-E647 PolarHBondContact OH-OE2 3.1Å
648	C	84.8	Confident	81.8	Confident	14 Å²	14	39.5 Å²	39.5	10%	0.095	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	164.7	179.2	60.4	0	0	0	0	111.2	A625	A625-C648 PolarHBondContact N-O 3.34Å; A625-C648 PolarHBondContact O-N 3.44Å; A625-C648 VanDerWaalsContact O-O 3.13Å; A625-C648 PolarHBondContact O-SG 2.96Å; A625-C648 VanDerWaalsContact O-SG 3.36Å
649	S	80.6	Confident	82.1	Confident	49 Å²	49	39 Å²	39	34%	0.343	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	132.4	175	176.3	0	0	0	0	110.5	F651 D652	S649-F651 PolarHBondContact O-N 3.13Å; S649-F651 PolarHBondContact OG-N 3.26Å; S649-D652 CarbonylContact O-C 3.48Å; S649-D652 PolarHBondContact OG-N 3.4Å; S649-D652 VanDerWaalsContact OG-N 3.13Å
650	A	71.3	Confident	82.3	Confident	6 Å²	6	41.4 Å²	41.4	5%	0.05	23%	0.23	C	C	.	.	S	Bend	trans	-71.4	-7.3	173.1	0	0	0	0	0	113.6	R622 K623 A625	R622-A650 WeakPolarHBondContact O-CB 3.34Å; K623-A650 VanDerWaalsContact C-CB 3.5Å; K623-A650 VanDerWaalsContact O-CB 3.3Å; K623-A650 WeakPolarHBondContact O-CB 3.38Å; K623-A650 PolarHBondContact O-N 3.4Å; A625-A650 HydrophobicContact CB-CB 4.25Å
651	F	64.4	Low	82.4	Confident	161 Å²	161	40.4 Å²	40.4	71%	0.706	22%	0.223	S	C	*	.	S	Bend	trans	-105.7	-31.6	176.7	-54.6	-73.3	0	0	0	112.7	K623 S649	K623-F651 HydrophobicContact CB-CE2 3.91Å; K623-F651 HydrophobicContact CG-CE2 3.89Å; K623-F651 HydrophobicContact CG-CZ 4.36Å; S649-F651 PolarHBondContact O-N 3.13Å; S649-F651 PolarHBondContact OG-N 3.26Å
652	D	66.8	Low	82.3	Confident	84 Å²	84	40.2 Å²	40.2	45%	0.449	22%	0.223	S	C	.	.			trans	-119.3	81.4	174.8	-172.6	1.9	0	0	0	109.6	S649 L654 A655	S649-D652 CarbonylContact O-C 3.48Å; S649-D652 PolarHBondContact OG-N 3.4Å; S649-D652 VanDerWaalsContact OG-N 3.13Å; D652-L654 VanDerWaalsContact C-N 3.26Å; D652-L654 PolarHBondContact OD1-N 2.93Å; D652-A655 PolarHBondContact OD1-N 3.45Å
653	V	60.8	Low	82.2	Confident	52 Å²	52	40.4 Å²	40.4	32%	0.315	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-11.8	-175.8	-176.8	0	0	0	0	111.3	I615	I615-V653 HydrophobicContact CD1-CG1 3.26Å; I615-V653 HydrophobicContact CG2-CG1 4.3Å
654	L	63.2	Low	82.2	Confident	46 Å²	46	43.3 Å²	43.3	24%	0.241	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-8	-179.6	-62.6	172.8	0	0	0	112.4	D652 Q694 L695 F698 E699	D652-L654 VanDerWaalsContact C-N 3.26Å; D652-L654 PolarHBondContact OD1-N 2.93Å; L654-Q694 HydrophobicContact CD1-CB 3.77Å; L654-L695 HydrophobicContact CD2-CD1 3.89Å; L654-F698 HydrophobicContact CD1-CD2 4.3Å; L654-E699 HydrophobicContact CD2-CG 4.26Å
655	A	52.5	Low	82.3	Confident	36 Å²	36	42.9 Å²	42.9	30%	0.298	23%	0.234	S	C	.	.	S	Bend	trans	-57.9	145.7	178.5	0	0	0	0	0	113.5	D652 T657	D652-A655 PolarHBondContact OD1-N 3.45Å; A655-T657 PolarHBondContact O-N 2.85Å; A655-T657 PolarHBondContact O-OG1 3.3Å
656	N	63.1	Low	82.4	Confident	112 Å²	112	42.8 Å²	42.8	60%	0.599	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48.2	11.3	-166.4	-117.2	-50.6	0	0	0	120.2	L658 P660 K706	N656-L658 PolarHBondContact O-N 3.3Å; N656-P660 WeakPolarHBondContact O-CD 3.3Å; N656-K706 PolarHBondContact OD1-NZ 2.95Å
657	T	78.6	Confident	82.6	Confident	41 Å²	41	48 Å²	48	25%	0.252	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-15.8	-176.6	65.7	0	0	0	0	114.7	A655 P660	A655-T657 PolarHBondContact O-N 2.85Å; A655-T657 PolarHBondContact O-OG1 3.3Å; T657-P660 WeakPolarHBondContact O-CD 3.46Å
658	L	88.9	Confident	82.9	Confident	16 Å²	16	47.3 Å²	47.3	8%	0.084	25%	0.246	C	C	.	.	H	α-helix	trans	-67.4	-44.7	179.1	176.6	56.2	0	0	0	112.5	F613 L629 N656 M661 I662 F682 E699 I703	F613-L658 HydrophobicContact CD1-CD1 3.94Å; F613-L658 HydrophobicContact CD1-CD2 4.37Å; F613-L658 HydrophobicContact CD2-CD1 3.98Å; F613-L658 HydrophobicContact CE1-CD1 3.98Å; F613-L658 HydrophobicContact CE1-CD2 4.34Å; F613-L658 HydrophobicContact CE2-CD1 4.05Å; F613-L658 HydrophobicContact CG-CD1 3.97Å; F613-L658 HydrophobicContact CZ-CD1 4.05Å; L629-L658 HydrophobicContact CD1-CD1 3.82Å; N656-L658 PolarHBondContact O-N 3.3Å; L658-M661 HydrophobicContact CD1-CE 4.17Å; L658-M661 WeakPolarHBondContact O-CB 3.3Å; L658-M661 PolarHBondContact O-N 3.07Å; L658-M661 VanDerWaalsContact O-N 3.12Å; L658-I662 HydrophobicContact CD1-CD1 4.2Å; L658-I662 HydrophobicContact CD1-CG1 4.33Å; L658-I662 HydrophobicContact CD2-CD1 4.5Å; L658-I662 HydrophobicContact CG-CD1 3.95Å; L658-I662 PolarHBondContact O-N 3.39Å; L658-F682 HydrophobicContact CD1-CE2 4.37Å; L658-F682 HydrophobicContact CD1-CZ 4.07Å; L658-F682 HydrophobicContact CD2-CZ 4.09Å; L658-E699 HydrophobicContact CD2-CG 4.25Å; L658-I703 HydrophobicContact CD2-CD1 3.96Å
659	W	93.1	Very high	83.5	Confident	31 Å²	31	46.7 Å²	46.7	12%	0.117	24%	0.242	C	C	.	.	H	α-helix	trans	-59.8	-46.6	-174	174.1	-100.6	0	0	0	114.3	M661 I662 A663 L666 K706 L707 E710	W659-M661 PolarHBondContact O-N 3.18Å; W659-M661 VanDerWaalsContact O-N 3.12Å; W659-I662 HydrophobicContact CE3-CB 4.22Å; W659-I662 HydrophobicContact CE3-CD1 4.37Å; W659-I662 HydrophobicContact CE3-CG2 4.27Å; W659-I662 HydrophobicContact CH2-CG2 4.47Å; W659-I662 HydrophobicContact CZ3-CB 4.37Å; W659-I662 HydrophobicContact CZ3-CG2 3.91Å; W659-I662 PolarHBondContact O-N 3.23Å; W659-A663 HydrophobicContact CZ2-CB 4.22Å; W659-A663 PolarHBondContact O-N 3.13Å; W659-L666 HydrophobicContact CH2-CD1 4.42Å; W659-K706 HydrophobicContact CB-CD 3.94Å; W659-K706 HydrophobicContact CD2-CB 3.61Å; W659-K706 HydrophobicContact CD2-CD 3.41Å; W659-K706 VanDerWaalsContact CD2-CD 3.41Å; W659-K706 HydrophobicContact CD2-CG 4.17Å; W659-K706 HydrophobicContact CE3-CB 3.56Å; W659-K706 HydrophobicContact CE3-CD 3.93Å; W659-K706 HydrophobicContact CE3-CG 4.42Å; W659-K706 HydrophobicContact CG-CB 4.44Å; W659-K706 HydrophobicContact CG-CD 3.34Å; W659-K706 HydrophobicContact CH2-CB 3.53Å; W659-K706 WeakPolarHBondContact CH2-O 3.22Å; W659-K706 HydrophobicContact CZ2-CB 3.57Å; W659-K706 HydrophobicContact CZ3-CB 3.51Å; W659-L707 HydrophobicContact CH2-CD2 4.32Å; W659-L707 HydrophobicContact CH2-CG 4.42Å; W659-L707 HydrophobicContact CZ3-CD2 4.36Å; W659-L707 HydrophobicContact CZ3-CG 4.19Å; W659-E710 HydrophobicContact CH2-CG 3.81Å; W659-E710 HydrophobicContact CZ2-CG 3.4Å; W659-E710 VanDerWaalsContact CZ2-CG 3.4Å
660	P	94	Very high	84.3	Confident	70 Å²	70	47.6 Å²	47.6	46%	0.455	24%	0.241	S	C	.	.	H	α-helix	trans	-52.2	-34.3	174.5	-29.7	35.7	0	0	0	114.2	N656 T657 K664	N656-P660 WeakPolarHBondContact O-CD 3.3Å; T657-P660 WeakPolarHBondContact O-CD 3.46Å; P660-K664 WeakPolarHBondContact O-CG 3.47Å; P660-K664 PolarHBondContact O-N 3.15Å
661	M	95.9	Very high	85.5	Confident	4 Å²	4	53.1 Å²	53.1	2%	0.02	27%	0.265	C	S	.	.	H	α-helix	trans	-71.6	-39.5	177.1	-65.8	-172.1	-71	0	0	112.4	F613 L629 T644 T646 L658 W659 A665	F613-M661 HydrophobicContact CD2-CE 4.33Å; F613-M661 HydrophobicContact CE2-CE 3.56Å; F613-M661 HydrophobicContact CZ-CE 4.16Å; L629-M661 HydrophobicContact CB-CB 3.96Å; L629-M661 HydrophobicContact CB-CE 4.36Å; L629-M661 HydrophobicContact CB-SD 4.03Å; L629-M661 HydrophobicContact CD1-CB 3.94Å; L629-M661 HydrophobicContact CG-CB 4.37Å; T644-M661 HydrophobicContact CG2-CB 3.54Å; T644-M661 HydrophobicContact CG2-CG 3.6Å; T644-M661 HydrophobicContact CG2-SD 4Å; T646-M661 HydrophobicContact CG2-CE 3.51Å; T646-M661 HydrophobicContact CG2-SD 3.72Å; L658-M661 HydrophobicContact CD1-CE 4.17Å; L658-M661 WeakPolarHBondContact O-CB 3.3Å; L658-M661 PolarHBondContact O-N 3.07Å; L658-M661 VanDerWaalsContact O-N 3.12Å; W659-M661 PolarHBondContact O-N 3.18Å; W659-M661 VanDerWaalsContact O-N 3.12Å; M661-A665 WeakPolarHBondContact O-CB 3.44Å; M661-A665 PolarHBondContact O-N 3.05Å; M661-A665 VanDerWaalsContact O-N 3.09Å
662	I	97	Very high	87	Confident	3 Å²	3	48.2 Å²	48.2	2%	0.015	24%	0.244	C	C	.	.	H	α-helix	trans	-63.9	-47	173.6	-63.1	171.1	0	0	0	109.9	L629 L658 W659 K664 A665 L666 F682 I703	L629-I662 HydrophobicContact CD1-CG1 3.62Å; L658-I662 HydrophobicContact CD1-CD1 4.2Å; L658-I662 HydrophobicContact CD1-CG1 4.33Å; L658-I662 HydrophobicContact CD2-CD1 4.5Å; L658-I662 HydrophobicContact CG-CD1 3.95Å; L658-I662 PolarHBondContact O-N 3.39Å; W659-I662 HydrophobicContact CE3-CB 4.22Å; W659-I662 HydrophobicContact CE3-CD1 4.37Å; W659-I662 HydrophobicContact CE3-CG2 4.27Å; W659-I662 HydrophobicContact CH2-CG2 4.47Å; W659-I662 HydrophobicContact CZ3-CB 4.37Å; W659-I662 HydrophobicContact CZ3-CG2 3.91Å; W659-I662 PolarHBondContact O-N 3.23Å; I662-K664 PolarHBondContact O-N 3.45Å; I662-A665 PolarHBondContact O-N 3.45Å; I662-A665 VanDerWaalsContact O-N 3.11Å; I662-L666 HydrophobicContact CG2-CD1 3.99Å; I662-L666 HydrophobicContact CG2-CG 4.32Å; I662-L666 WeakPolarHBondContact O-CG 3.45Å; I662-L666 PolarHBondContact O-N 2.99Å; I662-F682 HydrophobicContact CD1-CE2 3.99Å; I662-F682 HydrophobicContact CG1-CE2 4.36Å; I662-I703 HydrophobicContact CD1-CD1 3.82Å; I662-I703 HydrophobicContact CD1-CG1 3.78Å
663	A	96.8	Very high	88.4	Confident	6 Å²	6	45.3 Å²	45.3	5%	0.05	23%	0.228	C	C	.	.	H	α-helix	trans	-60.7	-42.2	178.8	0	0	0	0	0	112.5	W659 L666 R667	W659-A663 HydrophobicContact CZ2-CB 4.22Å; W659-A663 PolarHBondContact O-N 3.13Å; A663-L666 PolarHBondContact O-N 2.89Å; A663-R667 VanDerWaalsContact O-CG 3.28Å; A663-R667 WeakPolarHBondContact O-CG 3.5Å; A663-R667 PolarHBondContact O-N 3.23Å
664	K	97.4	Very high	90.1	Very high	63 Å²	63	52.4 Å²	52.4	27%	0.274	25%	0.249	S	C	.	.	H	α-helix	trans	-59.3	-45.4	171.8	-75.8	177.8	71	-169.6	0	111.8	F642 T644 P660 I662 R667 Q668 E837	F642-K664 HydrophobicContact CE1-CB 4.14Å; F642-K664 HydrophobicContact CZ-CB 3.87Å; T644-K664 PolarHBondContact OG1-NZ 2.73Å; T644-K664 VanDerWaalsContact OG1-NZ 3.15Å; P660-K664 WeakPolarHBondContact O-CG 3.47Å; P660-K664 PolarHBondContact O-N 3.15Å; I662-K664 PolarHBondContact O-N 3.45Å; K664-R667 PolarHBondContact O-N 3.23Å; K664-Q668 PolarHBondContact O-N 3.12Å; K664-E837 WeakPolarHBondContact CE-OE1 3.37Å; K664-E837 IonicContact NZ-OE1 3.03Å; K664-E837 PolarHBondContact NZ-OE1 2.99Å
665	A	98.3	Very high	91.6	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-65.8	-38.8	-180	0	0	0	0	0	112.4	M609 L629 A631 M633 F642 M661 I662 Q668 Y669	M609-A665 HydrophobicContact CE-CB 3.35Å; L629-A665 HydrophobicContact CD2-CB 4.13Å; A631-A665 HydrophobicContact CB-CB 3.87Å; M633-A665 WeakPolarHBondContact CE-O 3.47Å; F642-A665 HydrophobicContact CD1-CB 3.65Å; F642-A665 HydrophobicContact CE1-CB 3.88Å; M661-A665 WeakPolarHBondContact O-CB 3.44Å; M661-A665 PolarHBondContact O-N 3.05Å; M661-A665 VanDerWaalsContact O-N 3.09Å; I662-A665 PolarHBondContact O-N 3.45Å; I662-A665 VanDerWaalsContact O-N 3.11Å; A665-Q668 PolarHBondContact O-N 3.45Å; A665-Y669 WeakPolarHBondContact O-CB 3.14Å; A665-Y669 PolarHBondContact O-N 2.69Å
666	L	98.3	Very high	93.8	Very high	6 Å²	6	53.7 Å²	53.7	3%	0.031	25%	0.247	C	C	.	.	H	α-helix	trans	-64.1	-43.6	174.4	-72.1	171	0	0	0	112	M609 W659 I662 A663 Y669 Q670 L676 P677 I680 L707 Y711	M609-L666 HydrophobicContact CE-CD2 4.43Å; M609-L666 HydrophobicContact SD-CD2 3.84Å; W659-L666 HydrophobicContact CH2-CD1 4.42Å; I662-L666 HydrophobicContact CG2-CD1 3.99Å; I662-L666 HydrophobicContact CG2-CG 4.32Å; I662-L666 WeakPolarHBondContact O-CG 3.45Å; I662-L666 PolarHBondContact O-N 2.99Å; A663-L666 PolarHBondContact O-N 2.89Å; L666-Y669 WeakPolarHBondContact O-CB 3.35Å; L666-Y669 PolarHBondContact O-N 2.88Å; L666-Q670 WeakPolarHBondContact O-CB 3.45Å; L666-Q670 PolarHBondContact O-N 3.32Å; L666-L676 HydrophobicContact CB-CD2 4.15Å; L666-L676 HydrophobicContact CD2-CD2 4.4Å; L666-P677 HydrophobicContact CD2-CG 3.78Å; L666-I680 HydrophobicContact CD2-CD1 4.04Å; L666-L707 HydrophobicContact CD1-CD2 3.77Å; L666-Y711 HydrophobicContact CD1-CE2 4.39Å; L666-Y711 HydrophobicContact CD2-CE2 4.35Å
667	R	97.8	Very high	95.4	Very high	144 Å²	144	48.3 Å²	48.3	54%	0.543	22%	0.218	S	C	.	.	H	α-helix	trans	-62.7	-42	175.6	-69.9	170.2	-167.4	176.2	4.4	111.8	A663 K664 Q670 H671	A663-R667 VanDerWaalsContact O-CG 3.28Å; A663-R667 WeakPolarHBondContact O-CG 3.5Å; A663-R667 PolarHBondContact O-N 3.23Å; K664-R667 PolarHBondContact O-N 3.23Å; R667-Q670 PolarHBondContact O-N 2.84Å; R667-H671 WeakPolarHBondContact O-CB 3.49Å; R667-H671 PolarHBondContact O-N 2.83Å
668	Q	97.9	Very high	96.3	Very high	50 Å²	50	49.7 Å²	49.7	23%	0.234	23%	0.229	C	C	.	.	H	α-helix	trans	-64.5	-41.3	175.7	-172.1	62.9	30.9	0	0	111.8	M633 F642 K664 A665 H671 E672 K838	M633-Q668 HydrophobicContact CE-CB 3.89Å; M633-Q668 HydrophobicContact CE-CG 3.93Å; F642-Q668 HydrophobicContact CD2-CB 4Å; F642-Q668 HydrophobicContact CD2-CG 3.78Å; F642-Q668 HydrophobicContact CE2-CB 4.24Å; F642-Q668 HydrophobicContact CE2-CG 4.33Å; F642-Q668 HydrophobicContact CG-CB 4.47Å; F642-Q668 HydrophobicContact CG-CG 4.42Å; K664-Q668 PolarHBondContact O-N 3.12Å; A665-Q668 PolarHBondContact O-N 3.45Å; Q668-H671 PolarHBondContact O-N 3.22Å; Q668-E672 WeakPolarHBondContact CG-OE1 3.47Å; Q668-E672 PolarHBondContact NE2-OE1 2.75Å; Q668-E672 PolarHBondContact O-N 2.9Å; Q668-E672 VanDerWaalsContact O-N 3.08Å; Q668-K838 HydrophobicContact CG-CD 4.15Å
669	Y	97.8	Very high	96.7	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-59.2	-49.4	173.8	-170.7	-71.3	0	0	0	110.9	G607 M609 M633 D634 A665 L666 H671 E672 H673 K675 P677	G607-Y669 WeakPolarHBondContact CA-OH 3.41Å; M609-Y669 HydrophobicContact CB-CD2 4.27Å; M609-Y669 HydrophobicContact CB-CE2 4.19Å; M609-Y669 HydrophobicContact CG-CD2 4.36Å; M633-Y669 WeakPolarHBondContact SD-CA 3.47Å; M633-Y669 VanDerWaalsContact SD-CB 3.51Å; M633-Y669 HydrophobicContact SD-CD2 3.59Å; M633-Y669 VanDerWaalsContact SD-CD2 3.59Å; M633-Y669 HydrophobicContact SD-CG 3.92Å; D634-Y669 HydrophobicContact CB-CE2 4.02Å; D634-Y669 WeakPolarHBondContact CB-OH 3.41Å; D634-Y669 PolarHBondContact OD2-OH 2.82Å; A665-Y669 WeakPolarHBondContact O-CB 3.14Å; A665-Y669 PolarHBondContact O-N 2.69Å; L666-Y669 WeakPolarHBondContact O-CB 3.35Å; L666-Y669 PolarHBondContact O-N 2.88Å; Y669-H671 VanDerWaalsContact C-N 3.3Å; Y669-H671 PolarHBondContact O-N 3.08Å; Y669-E672 PolarHBondContact O-N 3.04Å; Y669-H673 HydrophobicContact CD1-CB 4.15Å; Y669-H673 AromaticContact CD1-CD2 3.98Å; Y669-H673 HydrophobicContact CE1-CB 3.89Å; Y669-H673 AromaticContact CE1-CD2 3.9Å; Y669-H673 WeakPolarHBondContact O-CB 3.3Å; Y669-H673 PolarHBondContact O-CD2 3.01Å; Y669-H673 PolarHBondContact O-N 3.46Å; Y669-K675 WeakPolarHBondContact CD1-O 3.39Å; Y669-K675 WeakPolarHBondContact CE1-O 3.49Å; Y669-P677 HydrophobicContact CD1-CB 4.28Å; Y669-P677 HydrophobicContact CD1-CG 4.26Å; Y669-P677 HydrophobicContact CD2-CB 4.24Å; Y669-P677 HydrophobicContact CD2-CG 4.33Å; Y669-P677 HydrophobicContact CE1-CB 3.87Å; Y669-P677 HydrophobicContact CE1-CG 4.34Å; Y669-P677 HydrophobicContact CE2-CB 3.8Å; Y669-P677 HydrophobicContact CE2-CG 4.38Å; Y669-P677 HydrophobicContact CG-CB 4.47Å; Y669-P677 HydrophobicContact CG-CG 4.27Å
670	Q	96.9	Very high	97	Very high	69 Å²	69	50.9 Å²	50.9	32%	0.322	23%	0.233	S	C	.	.	H	α-helix	trans	-63.5	-34.6	178.4	-168.2	-177.8	7.2	0	0	112.6	L666 R667 R674 K675 L676	L666-Q670 WeakPolarHBondContact O-CB 3.45Å; L666-Q670 PolarHBondContact O-N 3.32Å; R667-Q670 PolarHBondContact O-N 2.84Å; Q670-R674 WeakPolarHBondContact O-CA 3.39Å; Q670-R674 PolarHBondContact O-N 2.92Å; Q670-K675 WeakPolarHBondContact CA-O 3.49Å; Q670-L676 HydrophobicContact CB-CD2 4.02Å; Q670-L676 HydrophobicContact CG-CD2 4.47Å
671	H	96.7	Very high	97.2	Very high	121 Å²	121	47.6 Å²	47.6	56%	0.56	21%	0.211	S	C	*	.	H	α-helix	trans	-64.5	-45.3	175.9	-176.2	86.4	0	0	0	111.8	R667 Q668 Y669	R667-H671 WeakPolarHBondContact O-CB 3.49Å; R667-H671 PolarHBondContact O-N 2.83Å; Q668-H671 PolarHBondContact O-N 3.22Å; Y669-H671 VanDerWaalsContact C-N 3.3Å; Y669-H671 PolarHBondContact O-N 3.08Å
672	E	95.9	Very high	97.3	Very high	58 Å²	58	47.5 Å²	47.5	27%	0.271	21%	0.211	S	C	.	.	H	α-helix	trans	-74.7	-38.1	-179.8	-73.8	173.2	-137.2	0	0	113.3	N638 Q668 Y669 K838	N638-E672 PolarHBondContact ND2-OE2 3.2Å; Q668-E672 WeakPolarHBondContact CG-OE1 3.47Å; Q668-E672 PolarHBondContact NE2-OE1 2.75Å; Q668-E672 PolarHBondContact O-N 2.9Å; Q668-E672 VanDerWaalsContact O-N 3.08Å; Y669-E672 PolarHBondContact O-N 3.04Å; E672-K838 WeakPolarHBondContact OE1-CD 3.31Å; E672-K838 VanDerWaalsContact OE1-CE 3.25Å; E672-K838 WeakPolarHBondContact OE1-CE 3.27Å; E672-K838 IonicContact OE1-NZ 3.02Å; E672-K838 PolarHBondContact OE1-NZ 3.17Å; E672-K838 IonicContact OE2-NZ 2.78Å; E672-K838 PolarHBondContact OE2-NZ 2.69Å
673	H	95.6	Very high	97.4	Very high	24 Å²	24	47.3 Å²	47.3	11%	0.111	21%	0.21	C	C	.	.	H	α-helix	trans	-106.2	-3.3	-171.5	-69.8	-77.1	0	0	0	114.9	M633 Y669 K675	M633-H673 PolarHBondContact O-CE1 3.05Å; M633-H673 PolarHBondContact O-NE2 3.31Å; Y669-H673 HydrophobicContact CD1-CB 4.15Å; Y669-H673 AromaticContact CD1-CD2 3.98Å; Y669-H673 HydrophobicContact CE1-CB 3.89Å; Y669-H673 AromaticContact CE1-CD2 3.9Å; Y669-H673 WeakPolarHBondContact O-CB 3.3Å; Y669-H673 PolarHBondContact O-CD2 3.01Å; Y669-H673 PolarHBondContact O-N 3.46Å; H673-K675 HydrophobicContact CB-CG 4.16Å; H673-K675 WeakPolarHBondContact O-CG 3.46Å; H673-K675 PolarHBondContact O-N 3.35Å
674	R	96	Very high	97.2	Very high	200 Å²	200	47.4 Å²	47.4	76%	0.755	21%	0.209	S	C	*	.	S	Bend	trans	57.1	9.8	-172.9	-53	-55.4	-173.9	176.5	0.2	115.5	Q670	Q670-R674 WeakPolarHBondContact O-CA 3.39Å; Q670-R674 PolarHBondContact O-N 2.92Å
675	K	95.5	Very high	96.7	Very high	95 Å²	95	44.6 Å²	44.6	41%	0.413	20%	0.197	S	C	.	.	S	Bend	trans	-147.1	154.3	-179.8	68	-164.6	172.5	-174.7	0	110.2	Y669 Q670 H673	Y669-K675 WeakPolarHBondContact CD1-O 3.39Å; Y669-K675 WeakPolarHBondContact CE1-O 3.49Å; Q670-K675 WeakPolarHBondContact CA-O 3.49Å; H673-K675 HydrophobicContact CB-CG 4.16Å; H673-K675 WeakPolarHBondContact O-CG 3.46Å; H673-K675 PolarHBondContact O-N 3.35Å
676	L	97.8	Very high	95.5	Very high	14 Å²	14	47.3 Å²	47.3	7%	0.073	23%	0.225	C	C	.	.			trans	-74.7	157.4	169.6	-72.5	176	0	0	0	111.3	L666 Q670 Y711 V714	L666-L676 HydrophobicContact CB-CD2 4.15Å; L666-L676 HydrophobicContact CD2-CD2 4.4Å; Q670-L676 HydrophobicContact CB-CD2 4.02Å; Q670-L676 HydrophobicContact CG-CD2 4.47Å; L676-Y711 HydrophobicContact CB-CD1 4.36Å; L676-Y711 HydrophobicContact CB-CE1 3.65Å; L676-Y711 HydrophobicContact CD1-CD1 3.86Å; L676-Y711 HydrophobicContact CD1-CD2 3.88Å; L676-Y711 HydrophobicContact CD1-CE1 3.85Å; L676-Y711 HydrophobicContact CD1-CE2 3.87Å; L676-Y711 HydrophobicContact CD1-CG 3.89Å; L676-Y711 HydrophobicContact CG-CE1 4.38Å; L676-V714 HydrophobicContact CD1-CG2 3.52Å; L676-V714 HydrophobicContact CG-CG2 4.44Å
677	P	97.7	Very high	94.4	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.228	C	C	.	.			trans	-69.2	132.3	176.8	25.5	-30.1	0	0	0	111.1	G607 M609 L666 Y669 R679 I680 Y711	G607-P677 CarbonylContact O-C 3.51Å; M609-P677 HydrophobicContact CB-CB 3.7Å; M609-P677 HydrophobicContact CB-CG 3.85Å; M609-P677 HydrophobicContact CG-CG 4.47Å; M609-P677 HydrophobicContact SD-CG 3.79Å; L666-P677 HydrophobicContact CD2-CG 3.78Å; Y669-P677 HydrophobicContact CD1-CB 4.28Å; Y669-P677 HydrophobicContact CD1-CG 4.26Å; Y669-P677 HydrophobicContact CD2-CB 4.24Å; Y669-P677 HydrophobicContact CD2-CG 4.33Å; Y669-P677 HydrophobicContact CE1-CB 3.87Å; Y669-P677 HydrophobicContact CE1-CG 4.34Å; Y669-P677 HydrophobicContact CE2-CB 3.8Å; Y669-P677 HydrophobicContact CE2-CG 4.38Å; Y669-P677 HydrophobicContact CG-CB 4.47Å; Y669-P677 HydrophobicContact CG-CG 4.27Å; P677-R679 PolarHBondContact O-N 3Å; P677-I680 HydrophobicContact CG-CD1 4.41Å; P677-I680 HydrophobicContact CG-CG1 4.21Å; P677-Y711 WeakPolarHBondContact CD-OH 3.18Å; P677-Y711 WeakPolarHBondContact CG-OH 3.38Å; P677-Y711 PolarHBondContact O-OH 3.43Å
678	S	96.9	Very high	93	Very high	70 Å²	70	44.1 Å²	44.1	49%	0.49	22%	0.224	S	C	.	.	S	Bend	trans	-70.1	-22.8	175.3	-46.2	0	0	0	0	112.5	G607 Q720	G607-S678 PolarHBondContact O-N 2.84Å; S678-Q720 PolarHBondContact O-N 3.39Å
679	R	97.7	Very high	91.4	Very high	70 Å²	70	45.5 Å²	45.5	26%	0.264	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	134.2	-173.3	-56	-175.9	177.4	100	1.4	111.2	S606 G607 L608 M609 P677 Q720 M783	S606-R679 PolarHBondContact O-NH1 2.97Å; G607-R679 PolarHBondContact O-N 3.05Å; G607-R679 VanDerWaalsContact O-N 3.07Å; L608-R679 HydrophobicContact CD1-CB 3.94Å; M609-R679 PolarHBondContact N-O 3.42Å; P677-R679 PolarHBondContact O-N 3Å; R679-Q720 CarbonylContact C-O 3.55Å; R679-Q720 WeakPolarHBondContact CA-O 3.45Å; R679-Q720 HydrophobicContact CG-CB 4.25Å; R679-M783 HydrophobicContact CB-CE 4.09Å; R679-M783 HydrophobicContact CB-SD 4.18Å; R679-M783 HydrophobicContact CG-CE 4.44Å
680	I	98.5	Very high	89.9	Confident	2 Å²	2	47.5 Å²	47.5	1%	0.01	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	123.7	177.1	-55.6	-179.1	0	0	0	109.3	M609 I611 L666 P677 L707 P719 Q720 L721 A722	M609-I680 HydrophobicContact CB-CG1 4.45Å; M609-I680 VanDerWaalsContact O-CA 3.31Å; M609-I680 WeakPolarHBondContact O-CA 3.41Å; I611-I680 HydrophobicContact CD1-CG2 3.76Å; I611-I680 HydrophobicContact CG1-CG2 4.25Å; L666-I680 HydrophobicContact CD2-CD1 4.04Å; P677-I680 HydrophobicContact CG-CD1 4.41Å; P677-I680 HydrophobicContact CG-CG1 4.21Å; I680-L707 HydrophobicContact CD1-CD1 4.23Å; I680-L707 HydrophobicContact CD1-CD2 3.8Å; I680-P719 HydrophobicContact CD1-CB 4.31Å; I680-P719 HydrophobicContact CD1-CG 3.78Å; I680-P719 HydrophobicContact CG1-CB 4.31Å; I680-P719 HydrophobicContact CG1-CG 4.27Å; I680-Q720 PolarHBondContact N-O 3.37Å; I680-L721 HydrophobicContact CB-CD1 4Å; I680-L721 HydrophobicContact CG2-CD1 3.89Å; I680-L721 CarbonylContact O-C 3.29Å; I680-L721 WeakPolarHBondContact O-CA 3.44Å; I680-A722 PolarHBondContact O-N 2.89Å
681	V	98.6	Very high	88.8	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	113.1	169.9	177.4	0	0	0	0	108.5	L608 M609 T610 I611 Y683 A722 I724 M783 L793	L608-V681 HydrophobicContact CD1-CB 4.37Å; L608-V681 HydrophobicContact CD1-CG2 3.84Å; M609-V681 PolarHBondContact O-N 3.27Å; T610-V681 CarbonylContact C-O 3.56Å; T610-V681 WeakPolarHBondContact CA-O 2.95Å; T610-V681 HydrophobicContact CG2-CB 4.46Å; I611-V681 PolarHBondContact N-O 2.79Å; V681-Y683 HydrophobicContact CG1-CD2 4.1Å; V681-Y683 HydrophobicContact CG1-CE1 4.39Å; V681-Y683 HydrophobicContact CG1-CE2 3.52Å; V681-A722 HydrophobicContact CG2-CB 4.45Å; V681-I724 HydrophobicContact CG1-CD1 3.99Å; V681-M783 HydrophobicContact CG2-CE 3.8Å; V681-M783 HydrophobicContact CG2-SD 4.26Å; V681-L793 HydrophobicContact CG2-CD2 4.03Å
682	F	98.3	Very high	88.1	Confident	2 Å²	2	40.7 Å²	40.7	1%	0.009	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	116	-176.3	-167.7	-75.4	0	0	0	110.4	I611 F613 L629 L658 I662 R684 A722 Y723 I724	I611-F682 HydrophobicContact CB-CD2 3.75Å; I611-F682 HydrophobicContact CB-CE2 4.26Å; I611-F682 HydrophobicContact CB-CG 4.37Å; I611-F682 HydrophobicContact CD1-CD2 4.16Å; I611-F682 HydrophobicContact CG2-CD2 3.57Å; I611-F682 HydrophobicContact CG2-CE2 3.54Å; I611-F682 HydrophobicContact CG2-CG 4.45Å; I611-F682 HydrophobicContact CG2-CZ 4.4Å; F613-F682 HydrophobicContact CB-CE1 3.99Å; F613-F682 HydrophobicContact CB-CZ 3.63Å; F613-F682 HydrophobicContact CD1-CZ 4.38Å; F613-F682 HydrophobicContact CG-CZ 4.25Å; L629-F682 HydrophobicContact CD1-CE2 4.33Å; L658-F682 HydrophobicContact CD1-CE2 4.37Å; L658-F682 HydrophobicContact CD1-CZ 4.07Å; L658-F682 HydrophobicContact CD2-CZ 4.09Å; I662-F682 HydrophobicContact CD1-CE2 3.99Å; I662-F682 HydrophobicContact CG1-CE2 4.36Å; F682-R684 HydrophobicContact CD1-CB 4.4Å; F682-R684 HydrophobicContact CE1-CB 4.12Å; F682-A722 PolarHBondContact N-O 3.39Å; F682-Y723 HydrophobicContact CB-CD2 4.18Å; F682-Y723 AromaticContact CD1-CD2 3.68Å; F682-Y723 HydrophobicContact CD1-CD2 3.68Å; F682-Y723 AromaticContact CD1-CE2 3.44Å; F682-Y723 HydrophobicContact CD1-CE2 3.44Å; F682-Y723 VanDerWaalsContact CD1-CE2 3.44Å; F682-Y723 HydrophobicContact CD1-CG 4.42Å; F682-Y723 AromaticContact CD1-CZ 3.99Å; F682-Y723 HydrophobicContact CE1-CD2 4.32Å; F682-Y723 AromaticContact CE1-CE2 3.62Å; F682-Y723 HydrophobicContact CE1-CE2 3.62Å; F682-Y723 HydrophobicContact CG-CD2 4.02Å; F682-Y723 HydrophobicContact CG-CE2 4.14Å; F682-Y723 HydrophobicContact CZ-CE2 4.42Å; F682-I724 PolarHBondContact O-N 3.49Å
683	Y	98.1	Very high	87.5	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	116.4	175.8	-66.4	-77.6	0	0	0	111.7	T610 I611 G612 F613 V681 I724 V726 Y776 T794 M797 P811 V813 C814	T610-Y683 HydrophobicContact CG2-CD2 3.74Å; T610-Y683 HydrophobicContact CG2-CE2 3.59Å; I611-Y683 PolarHBondContact O-N 2.8Å; G612-Y683 WeakPolarHBondContact CA-O 3.4Å; F613-Y683 PolarHBondContact N-O 3.33Å; V681-Y683 HydrophobicContact CG1-CD2 4.1Å; V681-Y683 HydrophobicContact CG1-CE1 4.39Å; V681-Y683 HydrophobicContact CG1-CE2 3.52Å; Y683-I724 WeakPolarHBondContact CA-O 3.44Å; Y683-I724 HydrophobicContact CD1-CB 3.93Å; Y683-I724 HydrophobicContact CD1-CD1 4.22Å; Y683-I724 HydrophobicContact CD1-CG2 4.14Å; Y683-I724 HydrophobicContact CE1-CB 4.22Å; Y683-I724 HydrophobicContact CE1-CD1 3.67Å; Y683-I724 HydrophobicContact CE1-CG1 4.49Å; Y683-I724 HydrophobicContact CE1-CG2 4.25Å; Y683-V726 HydrophobicContact CD1-CG2 3.7Å; Y683-V726 HydrophobicContact CG-CG2 4.25Å; Y683-Y776 HydrophobicContact CD1-CD1 4.48Å; Y683-Y776 HydrophobicContact CE1-CD1 4.3Å; Y683-Y776 HydrophobicContact CE1-CE1 4.37Å; Y683-T794 HydrophobicContact CE1-CG2 4.03Å; Y683-T794 WeakPolarHBondContact OH-CA 3.43Å; Y683-T794 PolarHBondContact OH-OG1 3.34Å; Y683-T794 VanDerWaalsContact OH-OG1 3.06Å; Y683-M797 HydrophobicContact CE2-CG 4.42Å; Y683-P811 HydrophobicContact CD1-CG 3.86Å; Y683-P811 HydrophobicContact CD2-CB 4.06Å; Y683-P811 HydrophobicContact CD2-CG 4.15Å; Y683-P811 HydrophobicContact CE1-CG 3.87Å; Y683-P811 HydrophobicContact CE2-CB 4.16Å; Y683-P811 HydrophobicContact CE2-CG 4.17Å; Y683-P811 HydrophobicContact CG-CB 4.31Å; Y683-P811 HydrophobicContact CG-CG 4Å; Y683-V813 HydrophobicContact CD2-CG2 4.01Å; Y683-C814 WeakPolarHBondContact CB-SG 3.38Å
684	R	94.1	Very high	86.8	Confident	8 Å²	8	45.9 Å²	45.9	3%	0.03	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	105.2	-178.8	-176.5	70.7	165.5	92.1	-7.5	111	F682 V687 L695 E699 Y723 I724 V725 V726	F682-R684 HydrophobicContact CD1-CB 4.4Å; F682-R684 HydrophobicContact CE1-CB 4.12Å; R684-V687 HydrophobicContact CG-CG2 3.56Å; R684-L695 HydrophobicContact CG-CD2 4.39Å; R684-E699 IonicContact CZ-OE1 2.72Å; R684-E699 IonicContact NE-OE1 2.66Å; R684-E699 PolarHBondContact NE-OE1 3.42Å; R684-E699 VanDerWaalsContact NE-OE1 3.1Å; R684-E699 IonicContact NE-OE2 4Å; R684-E699 PolarHBondContact NE-OE2 3.25Å; R684-E699 IonicContact NH2-OE1 3.36Å; R684-E699 PolarHBondContact NH2-OE1 2.95Å; R684-Y723 HydrophobicContact CB-CE1 3.99Å; R684-Y723 WeakPolarHBondContact CD-OH 3.34Å; R684-Y723 HydrophobicContact CG-CE1 4.43Å; R684-Y723 VanDerWaalsContact CG-OH 3.27Å; R684-Y723 WeakPolarHBondContact CG-OH 3.18Å; R684-I724 PolarHBondContact N-O 3.44Å; R684-V725 HydrophobicContact CB-CG2 4.37Å; R684-V726 PolarHBondContact O-N 2.87Å
685	D	87.2	Confident	86.3	Confident	4 Å²	4	36.5 Å²	36.5	2%	0.021	22%	0.221	C	C	.	.			trans	-84.2	165.2	171.2	-164	-4.2	0	0	0	110.1	F613 D614 V687 R728 C814	F613-D685 PolarHBondContact O-N 3.26Å; D614-D685 HydrophobicContact CB-CB 4.24Å; D685-V687 PolarHBondContact O-N 2.74Å; D685-R728 VanDerWaalsContact CG-NH1 3.31Å; D685-R728 IonicContact OD1-CZ 2.92Å; D685-R728 IonicContact OD1-NH1 2.79Å; D685-R728 PolarHBondContact OD1-NH1 2.98Å; D685-R728 IonicContact OD2-CZ 2.7Å; D685-R728 IonicContact OD2-NH1 2.8Å; D685-R728 PolarHBondContact OD2-NH1 3.26Å; D685-R728 IonicContact OD2-NH2 3.65Å; D685-R728 PolarHBondContact OD2-NH2 3.16Å; D685-C814 HydrophobicContact CB-CB 4.26Å
686	G	72.1	Confident	85.9	Confident	56 Å²	56	34 Å²	34	58%	0.577	21%	0.21	S	C	*	.	S	Bend	trans	82.8	1	166.6	0	0	0	0	0	117.6
687	V	75.9	Confident	85.3	Confident	17 Å²	17	37 Å²	37	10%	0.103	22%	0.224	C	C	.	.			trans	-84.6	137.1	-177.7	-178.8	0	0	0	0	112.3	R684 D685 L692 L695 V725	R684-V687 HydrophobicContact CG-CG2 3.56Å; D685-V687 PolarHBondContact O-N 2.74Å; V687-L692 HydrophobicContact CG1-CD2 4.16Å; V687-L695 HydrophobicContact CG1-CD1 4.33Å; V687-L695 HydrophobicContact CG1-CD2 4.22Å; V687-L695 HydrophobicContact CG2-CD1 3.73Å; V687-L695 HydrophobicContact CG2-CD2 4.09Å; V687-V725 HydrophobicContact CB-CG1 4.1Å
688	S	67.4	Low	84.7	Confident	67 Å²	67	43.4 Å²	43.4	47%	0.469	25%	0.251	S	S	.	.			trans	-82.2	145.8	173.3	102	0	0	0	0	111.5	G690 S691	S688-G690 PolarHBondContact O-N 3.26Å; S688-G690 VanDerWaalsContact O-N 3.13Å; S688-G690 PolarHBondContact OG-N 3.28Å; S688-S691 PolarHBondContact O-N 2.84Å; S688-S691 PolarHBondContact OG-OG 3Å
689	S	65.3	Low	84.4	Confident	79 Å²	79	40.5 Å²	40.5	55%	0.552	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-62	-22.2	-179.4	56.9	0	0	0	0	114.3	S691	S689-S691 VanDerWaalsContact C-N 3.3Å
690	G	65.4	Low	84.1	Confident	42 Å²	42	37.1 Å²	37.1	43%	0.433	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-85.5	6.7	176	0	0	0	0	0	114.6	S688	S688-G690 PolarHBondContact O-N 3.26Å; S688-G690 VanDerWaalsContact O-N 3.13Å; S688-G690 PolarHBondContact OG-N 3.28Å
691	S	74.1	Confident	83.8	Confident	39 Å²	39	41.3 Å²	41.3	27%	0.273	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-120.5	5.1	180	-47.8	0	0	0	0	112.8	S688 S689 K693 Q694 L695	S688-S691 PolarHBondContact O-N 2.84Å; S688-S691 PolarHBondContact OG-OG 3Å; S689-S691 VanDerWaalsContact C-N 3.3Å; S691-K693 PolarHBondContact O-N 3.47Å; S691-Q694 PolarHBondContact O-N 3.28Å; S691-L695 WeakPolarHBondContact O-CB 3.49Å; S691-L695 PolarHBondContact O-N 2.83Å
692	L	81.9	Confident	83.5	Confident	7 Å²	7	43.5 Å²	43.5	4%	0.037	25%	0.247	C	C	.	.	H	α-helix	trans	-64.8	-38.6	-171.8	-71.6	175	0	0	0	113.4	V687 L695 F696 V725 L779	V687-L692 HydrophobicContact CG1-CD2 4.16Å; L692-L695 PolarHBondContact O-N 2.96Å; L692-F696 WeakPolarHBondContact O-CB 3.31Å; L692-F696 PolarHBondContact O-N 3.05Å; L692-V725 HydrophobicContact CD2-CB 4.46Å; L692-V725 HydrophobicContact CD2-CG1 4.24Å; L692-V725 HydrophobicContact CD2-CG2 4.09Å; L692-L779 HydrophobicContact CD2-CD2 4.38Å
693	K	83.1	Confident	83.3	Confident	96 Å²	96	43.6 Å²	43.6	42%	0.417	25%	0.248	S	C	.	.	H	α-helix	trans	-64.7	-47.8	177.6	-174.4	179	178.3	177.6	0	111.1	D77 S691 L695 F696 E697	D77-K693 HydrophobicContact CB-CB 3.94Å; D77-K693 WeakPolarHBondContact OD2-CB 3.38Å; S691-K693 PolarHBondContact O-N 3.47Å; K693-L695 VanDerWaalsContact C-N 3.35Å; K693-L695 PolarHBondContact O-N 3.01Å; K693-F696 PolarHBondContact O-N 3.4Å; K693-E697 WeakPolarHBondContact O-CG 3.48Å; K693-E697 PolarHBondContact O-N 3.36Å
694	Q	82.3	Confident	83.2	Confident	96 Å²	96	45 Å²	45	45%	0.449	26%	0.255	S	S	.	.	H	α-helix	trans	-60.3	-43.8	175.3	-63.7	178.8	-19.8	0	0	111.6	L654 S691 F696 E697 F698	L654-Q694 HydrophobicContact CD1-CB 3.77Å; S691-Q694 PolarHBondContact O-N 3.28Å; Q694-F696 VanDerWaalsContact C-N 3.33Å; Q694-F696 PolarHBondContact O-N 3.08Å; Q694-E697 PolarHBondContact O-N 3.06Å; Q694-F698 HydrophobicContact CB-CD2 4.27Å; Q694-F698 WeakPolarHBondContact O-CB 3.42Å; Q694-F698 VanDerWaalsContact O-CD2 3.23Å; Q694-F698 WeakPolarHBondContact O-CD2 3.36Å; Q694-F698 PolarHBondContact O-N 3.27Å
695	L	85.6	Confident	83.3	Confident	2 Å²	2	49.2 Å²	49.2	1%	0.01	28%	0.275	C	S	.	.	H	α-helix	trans	-59	-43	175.5	-167.8	92.3	0	0	0	112.1	L654 R684 V687 S691 L692 K693 E699 V700 Y723 V725 L779	L654-L695 HydrophobicContact CD2-CD1 3.89Å; R684-L695 HydrophobicContact CG-CD2 4.39Å; V687-L695 HydrophobicContact CG1-CD1 4.33Å; V687-L695 HydrophobicContact CG1-CD2 4.22Å; V687-L695 HydrophobicContact CG2-CD1 3.73Å; V687-L695 HydrophobicContact CG2-CD2 4.09Å; S691-L695 WeakPolarHBondContact O-CB 3.49Å; S691-L695 PolarHBondContact O-N 2.83Å; L692-L695 PolarHBondContact O-N 2.96Å; K693-L695 VanDerWaalsContact C-N 3.35Å; K693-L695 PolarHBondContact O-N 3.01Å; L695-E699 HydrophobicContact CD1-CG 4.07Å; L695-E699 WeakPolarHBondContact CD1-OE1 2.95Å; L695-E699 HydrophobicContact CG-CB 4.46Å; L695-E699 HydrophobicContact CG-CG 4.42Å; L695-E699 WeakPolarHBondContact O-CA 3.25Å; L695-E699 WeakPolarHBondContact O-CB 3.45Å; L695-E699 PolarHBondContact O-N 2.78Å; L695-V700 PolarHBondContact O-N 3.37Å; L695-Y723 HydrophobicContact CD2-CE1 3.88Å; L695-V725 HydrophobicContact CD2-CG2 3.55Å; L695-L779 HydrophobicContact CD2-CD1 3.74Å
696	F	86.9	Confident	83.7	Confident	42 Å²	42	51.2 Å²	51.2	18%	0.184	28%	0.283	C	S	.	.	I	π-helix	trans	-65.9	-47	178.5	-176.2	-95.8	0	0	0	112.2	L79 L692 K693 Q694 V700 K701 L779	L79-F696 HydrophobicContact CD1-CB 4.43Å; L79-F696 HydrophobicContact CD1-CD1 4.07Å; L79-F696 HydrophobicContact CD1-CG 4.22Å; L79-F696 HydrophobicContact CD2-CB 3.56Å; L79-F696 HydrophobicContact CD2-CD2 4.2Å; L79-F696 HydrophobicContact CD2-CG 3.86Å; L692-F696 WeakPolarHBondContact O-CB 3.31Å; L692-F696 PolarHBondContact O-N 3.05Å; K693-F696 PolarHBondContact O-N 3.4Å; Q694-F696 VanDerWaalsContact C-N 3.33Å; Q694-F696 PolarHBondContact O-N 3.08Å; F696-V700 HydrophobicContact CD2-CB 3.98Å; F696-V700 HydrophobicContact CD2-CG1 4.1Å; F696-V700 HydrophobicContact CD2-CG2 4.09Å; F696-V700 HydrophobicContact CE2-CB 4.39Å; F696-V700 HydrophobicContact CE2-CG1 4.05Å; F696-V700 HydrophobicContact CG-CB 4.48Å; F696-V700 WeakPolarHBondContact O-CB 3.44Å; F696-V700 PolarHBondContact O-N 3.18Å; F696-K701 PolarHBondContact O-N 2.79Å; F696-L779 HydrophobicContact CD2-CB 4.14Å; F696-L779 WeakPolarHBondContact CE2-O 3.29Å
697	E	85.1	Confident	84.9	Confident	79 Å²	79	48.8 Å²	48.8	37%	0.369	26%	0.257	S	S	.	.	I	π-helix	trans	-65.3	-40.9	179.6	-68.9	-62.8	136.8	0	0	112.8	K693 Q694 K701	K693-E697 WeakPolarHBondContact O-CG 3.48Å; K693-E697 PolarHBondContact O-N 3.36Å; Q694-E697 PolarHBondContact O-N 3.06Å; E697-K701 VanDerWaalsContact OE1-CE 3.29Å; E697-K701 WeakPolarHBondContact OE1-CE 3.33Å; E697-K701 IonicContact OE1-NZ 3.88Å; E697-K701 PolarHBondContact OE1-NZ 3.19Å; E697-K701 WeakPolarHBondContact OE2-CE 3.5Å; E697-K701 IonicContact OE2-NZ 3.5Å; E697-K701 PolarHBondContact OE2-NZ 3.19Å
698	F	85.1	Confident	85.9	Confident	133 Å²	133	52.1 Å²	52.1	58%	0.583	27%	0.271	S	S	*	.	I	π-helix	trans	-98.9	-34.3	-173.4	-65.8	-65.9	0	0	0	115.5	L654 Q694 D702	L654-F698 HydrophobicContact CD1-CD2 4.3Å; Q694-F698 HydrophobicContact CB-CD2 4.27Å; Q694-F698 WeakPolarHBondContact O-CB 3.42Å; Q694-F698 VanDerWaalsContact O-CD2 3.23Å; Q694-F698 WeakPolarHBondContact O-CD2 3.36Å; Q694-F698 PolarHBondContact O-N 3.27Å; F698-D702 VanDerWaalsContact O-CB 3.25Å; F698-D702 WeakPolarHBondContact O-CB 3.1Å
699	E	89.6	Confident	87.3	Confident	9 Å²	9	52.4 Å²	52.4	4%	0.042	27%	0.27	C	S	.	.	I	π-helix	trans	-93.1	-50.8	175.5	-64.7	-170.2	-161.1	0	0	111.7	L654 L658 R684 L695 I703 Y723	L654-E699 HydrophobicContact CD2-CG 4.26Å; L658-E699 HydrophobicContact CD2-CG 4.25Å; R684-E699 IonicContact CZ-OE1 2.72Å; R684-E699 IonicContact NE-OE1 2.66Å; R684-E699 PolarHBondContact NE-OE1 3.42Å; R684-E699 VanDerWaalsContact NE-OE1 3.1Å; R684-E699 IonicContact NE-OE2 4Å; R684-E699 PolarHBondContact NE-OE2 3.25Å; R684-E699 IonicContact NH2-OE1 3.36Å; R684-E699 PolarHBondContact NH2-OE1 2.95Å; L695-E699 HydrophobicContact CD1-CG 4.07Å; L695-E699 WeakPolarHBondContact CD1-OE1 2.95Å; L695-E699 HydrophobicContact CG-CB 4.46Å; L695-E699 HydrophobicContact CG-CG 4.42Å; L695-E699 WeakPolarHBondContact O-CA 3.25Å; L695-E699 WeakPolarHBondContact O-CB 3.45Å; L695-E699 PolarHBondContact O-N 2.78Å; E699-I703 WeakPolarHBondContact O-CB 3.35Å; E699-I703 WeakPolarHBondContact O-CD1 3.49Å; E699-I703 WeakPolarHBondContact O-CG1 3.4Å; E699-I703 PolarHBondContact O-N 2.84Å; E699-Y723 PolarHBondContact OE2-OH 2.84Å
700	V	91.7	Very high	88.8	Confident	0 Å²	0	50 Å²	50	0%	0	25%	0.25	C	C	.	.	I	π-helix	trans	-71.5	-47.8	-167.8	-176.9	0	0	0	0	112.1	L695 F696 I703 I704 Y723 L779 Y780	L695-V700 PolarHBondContact O-N 3.37Å; F696-V700 HydrophobicContact CD2-CB 3.98Å; F696-V700 HydrophobicContact CD2-CG1 4.1Å; F696-V700 HydrophobicContact CD2-CG2 4.09Å; F696-V700 HydrophobicContact CE2-CB 4.39Å; F696-V700 HydrophobicContact CE2-CG1 4.05Å; F696-V700 HydrophobicContact CG-CB 4.48Å; F696-V700 WeakPolarHBondContact O-CB 3.44Å; F696-V700 PolarHBondContact O-N 3.18Å; V700-I703 PolarHBondContact O-N 3.48Å; V700-I704 HydrophobicContact CG1-CD1 3.98Å; V700-I704 WeakPolarHBondContact O-CG1 3.34Å; V700-I704 PolarHBondContact O-N 2.97Å; V700-I704 VanDerWaalsContact O-N 3.09Å; V700-Y723 HydrophobicContact CG2-CD1 3.73Å; V700-Y723 HydrophobicContact CG2-CD2 3.93Å; V700-Y723 HydrophobicContact CG2-CE1 3.89Å; V700-Y723 HydrophobicContact CG2-CE2 4.06Å; V700-Y723 HydrophobicContact CG2-CG 3.77Å; V700-L779 HydrophobicContact CG2-CD1 4.23Å; V700-Y780 HydrophobicContact CG1-CG 4.32Å
701	K	91.8	Very high	90.3	Very high	90 Å²	90	48.2 Å²	48.2	39%	0.391	23%	0.23	S	C	.	.	H	α-helix	trans	-62	-43.7	177.1	-67.2	-175.1	-178.7	176.6	0	112.1	F696 E697 I703 I704 E705	F696-K701 PolarHBondContact O-N 2.79Å; E697-K701 VanDerWaalsContact OE1-CE 3.29Å; E697-K701 WeakPolarHBondContact OE1-CE 3.33Å; E697-K701 IonicContact OE1-NZ 3.88Å; E697-K701 PolarHBondContact OE1-NZ 3.19Å; E697-K701 WeakPolarHBondContact OE2-CE 3.5Å; E697-K701 IonicContact OE2-NZ 3.5Å; E697-K701 PolarHBondContact OE2-NZ 3.19Å; K701-I703 PolarHBondContact O-N 3.45Å; K701-I704 PolarHBondContact O-N 2.92Å; K701-E705 PolarHBondContact O-N 3.04Å
702	D	92.2	Very high	91.4	Very high	45 Å²	45	49.4 Å²	49.4	24%	0.241	24%	0.242	C	C	.	.	H	α-helix	trans	-60.2	-45.1	178.3	-176.4	74.2	0	0	0	112.2	F698 I704 K706	F698-D702 VanDerWaalsContact O-CB 3.25Å; F698-D702 WeakPolarHBondContact O-CB 3.1Å; D702-I704 VanDerWaalsContact C-N 3.35Å; D702-I704 PolarHBondContact O-N 2.69Å; D702-K706 WeakPolarHBondContact O-CB 3.5Å; D702-K706 VanDerWaalsContact O-CG 3.29Å; D702-K706 WeakPolarHBondContact O-CG 3.36Å; D702-K706 PolarHBondContact O-N 2.81Å; D702-K706 WeakPolarHBondContact OD1-CE 3.26Å; D702-K706 IonicContact OD1-NZ 3.15Å; D702-K706 PolarHBondContact OD1-NZ 3.31Å; D702-K706 WeakPolarHBondContact OD2-CE 3.4Å; D702-K706 IonicContact OD2-NZ 3.84Å; D702-K706 PolarHBondContact OD2-NZ 3.16Å
703	I	94.6	Very high	92	Very high	4 Å²	4	56.7 Å²	56.7	2%	0.021	27%	0.269	C	S	.	.	H	α-helix	trans	-61.2	-42.4	174.8	-71.4	166.8	0	0	0	111.1	L658 I662 E699 V700 K701 L707 L721 Y723	L658-I703 HydrophobicContact CD2-CD1 3.96Å; I662-I703 HydrophobicContact CD1-CD1 3.82Å; I662-I703 HydrophobicContact CD1-CG1 3.78Å; E699-I703 WeakPolarHBondContact O-CB 3.35Å; E699-I703 WeakPolarHBondContact O-CD1 3.49Å; E699-I703 WeakPolarHBondContact O-CG1 3.4Å; E699-I703 PolarHBondContact O-N 2.84Å; V700-I703 PolarHBondContact O-N 3.48Å; K701-I703 PolarHBondContact O-N 3.45Å; I703-L707 HydrophobicContact CG2-CD1 3.67Å; I703-L707 HydrophobicContact CG2-CG 4.17Å; I703-L707 VanDerWaalsContact O-CB 3.22Å; I703-L707 WeakPolarHBondContact O-CB 3.34Å; I703-L707 WeakPolarHBondContact O-CG 3.4Å; I703-L707 PolarHBondContact O-N 3.36Å; I703-L721 HydrophobicContact CG2-CD2 4.07Å; I703-Y723 HydrophobicContact CD1-CD2 4.24Å; I703-Y723 HydrophobicContact CD1-CE2 3.91Å
704	I	95.8	Very high	92.6	Very high	29 Å²	29	54.7 Å²	54.7	15%	0.149	27%	0.265	C	S	.	.	H	α-helix	trans	-62.6	-51.1	179.7	-70.1	164.6	0	0	0	111.1	V700 K701 D702 K706 L707 K708 L721 Y780	V700-I704 HydrophobicContact CG1-CD1 3.98Å; V700-I704 WeakPolarHBondContact O-CG1 3.34Å; V700-I704 PolarHBondContact O-N 2.97Å; V700-I704 VanDerWaalsContact O-N 3.09Å; K701-I704 PolarHBondContact O-N 2.92Å; D702-I704 VanDerWaalsContact C-N 3.35Å; D702-I704 PolarHBondContact O-N 2.69Å; I704-K706 PolarHBondContact O-N 3.03Å; I704-L707 PolarHBondContact O-N 2.82Å; I704-K708 WeakPolarHBondContact O-CG 3.23Å; I704-K708 PolarHBondContact O-N 3.46Å; I704-L721 HydrophobicContact CG1-CD2 3.92Å; I704-Y780 HydrophobicContact CD1-CD1 4.09Å; I704-Y780 HydrophobicContact CD1-CD2 3.78Å; I704-Y780 HydrophobicContact CD1-CE1 4Å; I704-Y780 HydrophobicContact CD1-CE2 3.67Å; I704-Y780 HydrophobicContact CD1-CG 3.98Å; I704-Y780 HydrophobicContact CG1-CE1 4.35Å
705	E	95.6	Very high	93.2	Very high	97 Å²	97	59 Å²	59	45%	0.453	29%	0.285	S	S	.	.	H	α-helix	trans	-67.2	-37.5	-178.2	-63.8	-45.9	125.6	0	0	112.9	K701 K708 T709	K701-E705 PolarHBondContact O-N 3.04Å; E705-K708 WeakPolarHBondContact O-CB 3.12Å; E705-K708 PolarHBondContact O-N 2.87Å; E705-K708 IonicContact OE1-NZ 3.68Å; E705-K708 PolarHBondContact OE1-NZ 3.32Å; E705-K708 WeakPolarHBondContact OE2-CD 3.32Å; E705-K708 IonicContact OE2-NZ 2.63Å; E705-K708 PolarHBondContact OE2-NZ 3.15Å; E705-T709 PolarHBondContact O-N 2.8Å; E705-T709 PolarHBondContact O-OG1 3.19Å
706	K	96	Very high	93.7	Very high	46 Å²	46	63.2 Å²	63.2	20%	0.2	31%	0.307	C	S	.	.	H	α-helix	trans	-75.1	-30.2	177.5	-65.1	-179.3	-179	157.3	0	112.6	N656 W659 D702 I704 T709 E710	N656-K706 PolarHBondContact OD1-NZ 2.95Å; W659-K706 HydrophobicContact CB-CD 3.94Å; W659-K706 HydrophobicContact CD2-CB 3.61Å; W659-K706 HydrophobicContact CD2-CD 3.41Å; W659-K706 VanDerWaalsContact CD2-CD 3.41Å; W659-K706 HydrophobicContact CD2-CG 4.17Å; W659-K706 HydrophobicContact CE3-CB 3.56Å; W659-K706 HydrophobicContact CE3-CD 3.93Å; W659-K706 HydrophobicContact CE3-CG 4.42Å; W659-K706 HydrophobicContact CG-CB 4.44Å; W659-K706 HydrophobicContact CG-CD 3.34Å; W659-K706 HydrophobicContact CH2-CB 3.53Å; W659-K706 WeakPolarHBondContact CH2-O 3.22Å; W659-K706 HydrophobicContact CZ2-CB 3.57Å; W659-K706 HydrophobicContact CZ3-CB 3.51Å; D702-K706 WeakPolarHBondContact O-CB 3.5Å; D702-K706 VanDerWaalsContact O-CG 3.29Å; D702-K706 WeakPolarHBondContact O-CG 3.36Å; D702-K706 PolarHBondContact O-N 2.81Å; D702-K706 WeakPolarHBondContact OD1-CE 3.26Å; D702-K706 IonicContact OD1-NZ 3.15Å; D702-K706 PolarHBondContact OD1-NZ 3.31Å; D702-K706 WeakPolarHBondContact OD2-CE 3.4Å; D702-K706 IonicContact OD2-NZ 3.84Å; D702-K706 PolarHBondContact OD2-NZ 3.16Å; I704-K706 PolarHBondContact O-N 3.03Å; K706-T709 WeakPolarHBondContact O-CB 3.02Å; K706-T709 PolarHBondContact O-N 2.9Å; K706-E710 PolarHBondContact O-N 2.89Å
707	L	97.4	Very high	94.1	Very high	6 Å²	6	65.7 Å²	65.7	3%	0.031	33%	0.329	C	S	.	.	H	α-helix	trans	-64.3	-44.5	168.5	-78.5	172.9	0	0	0	111.7	W659 L666 I680 I703 I704 T709 E710 Y711 P719 L721	W659-L707 HydrophobicContact CH2-CD2 4.32Å; W659-L707 HydrophobicContact CH2-CG 4.42Å; W659-L707 HydrophobicContact CZ3-CD2 4.36Å; W659-L707 HydrophobicContact CZ3-CG 4.19Å; L666-L707 HydrophobicContact CD1-CD2 3.77Å; I680-L707 HydrophobicContact CD1-CD1 4.23Å; I680-L707 HydrophobicContact CD1-CD2 3.8Å; I703-L707 HydrophobicContact CG2-CD1 3.67Å; I703-L707 HydrophobicContact CG2-CG 4.17Å; I703-L707 VanDerWaalsContact O-CB 3.22Å; I703-L707 WeakPolarHBondContact O-CB 3.34Å; I703-L707 WeakPolarHBondContact O-CG 3.4Å; I703-L707 PolarHBondContact O-N 3.36Å; I704-L707 PolarHBondContact O-N 2.82Å; L707-T709 PolarHBondContact O-N 2.8Å; L707-E710 PolarHBondContact O-N 3.16Å; L707-Y711 HydrophobicContact CD2-CD2 4.45Å; L707-Y711 HydrophobicContact CD2-CE2 3.86Å; L707-Y711 WeakPolarHBondContact O-CD2 3.2Å; L707-Y711 PolarHBondContact O-N 2.96Å; L707-P719 HydrophobicContact CD1-CG 4.17Å; L707-P719 HydrophobicContact CD2-CG 4.18Å; L707-L721 HydrophobicContact CD1-CD1 4.47Å; L707-L721 HydrophobicContact CD1-CD2 4.07Å
708	K	97.1	Very high	94.6	Very high	87 Å²	87	65.3 Å²	65.3	38%	0.378	33%	0.334	S	S	.	.	H	α-helix	trans	-53.8	-46.4	171.6	-67.7	170.8	-174.3	170.2	0	110.8	I704 E705 Y711 A712 P718	I704-K708 WeakPolarHBondContact O-CG 3.23Å; I704-K708 PolarHBondContact O-N 3.46Å; E705-K708 WeakPolarHBondContact O-CB 3.12Å; E705-K708 PolarHBondContact O-N 2.87Å; E705-K708 IonicContact OE1-NZ 3.68Å; E705-K708 PolarHBondContact OE1-NZ 3.32Å; E705-K708 WeakPolarHBondContact OE2-CD 3.32Å; E705-K708 IonicContact OE2-NZ 2.63Å; E705-K708 PolarHBondContact OE2-NZ 3.15Å; K708-Y711 PolarHBondContact O-N 2.65Å; K708-A712 VanDerWaalsContact O-CB 3.24Å; K708-A712 WeakPolarHBondContact O-CB 3.44Å; K708-A712 PolarHBondContact O-N 3.48Å; K708-P718 HydrophobicContact CG-CB 4.02Å; K708-P718 HydrophobicContact CG-CG 4.16Å
709	T	96.9	Very high	95.2	Very high	73 Å²	73	59.6 Å²	59.6	45%	0.448	31%	0.31	S	S	.	.	H	α-helix	trans	-61.2	-47.9	179.8	-55.8	0	0	0	0	113.1	E705 K706 L707 R713	E705-T709 PolarHBondContact O-N 2.8Å; E705-T709 PolarHBondContact O-OG1 3.19Å; K706-T709 WeakPolarHBondContact O-CB 3.02Å; K706-T709 PolarHBondContact O-N 2.9Å; L707-T709 PolarHBondContact O-N 2.8Å; T709-R713 WeakPolarHBondContact O-CG 3.29Å; T709-R713 PolarHBondContact O-N 3.41Å
710	E	96.1	Very high	95.5	Very high	28 Å²	28	62 Å²	62	13%	0.131	32%	0.322	C	S	.	.	H	α-helix	trans	-68.7	-34.2	179.7	-67.5	-69.1	173.5	0	0	113.1	W659 K706 L707 R713	W659-E710 HydrophobicContact CH2-CG 3.81Å; W659-E710 HydrophobicContact CZ2-CG 3.4Å; W659-E710 VanDerWaalsContact CZ2-CG 3.4Å; K706-E710 PolarHBondContact O-N 2.89Å; L707-E710 PolarHBondContact O-N 3.16Å; E710-R713 WeakPolarHBondContact O-CB 3.19Å; E710-R713 PolarHBondContact O-N 3.33Å; E710-R713 IonicContact OE1-CZ 3.59Å; E710-R713 IonicContact OE1-NH1 2.67Å; E710-R713 PolarHBondContact OE1-NH1 2.89Å; E710-R713 IonicContact OE2-CZ 2.74Å; E710-R713 IonicContact OE2-NE 2.82Å; E710-R713 IonicContact OE2-NH1 2.64Å; E710-R713 PolarHBondContact OE2-NH1 2.69Å
711	Y	97.3	Very high	95.8	Very high	5 Å²	5	62.3 Å²	62.3	2%	0.02	32%	0.323	C	S	.	.	H	α-helix	trans	-76.3	-35.6	179.6	-77.5	-116.3	0	0	0	110.7	L666 L676 P677 L707 K708 R713 V714 Q715 L716 S717 P719	L666-Y711 HydrophobicContact CD1-CE2 4.39Å; L666-Y711 HydrophobicContact CD2-CE2 4.35Å; L676-Y711 HydrophobicContact CB-CD1 4.36Å; L676-Y711 HydrophobicContact CB-CE1 3.65Å; L676-Y711 HydrophobicContact CD1-CD1 3.86Å; L676-Y711 HydrophobicContact CD1-CD2 3.88Å; L676-Y711 HydrophobicContact CD1-CE1 3.85Å; L676-Y711 HydrophobicContact CD1-CE2 3.87Å; L676-Y711 HydrophobicContact CD1-CG 3.89Å; L676-Y711 HydrophobicContact CG-CE1 4.38Å; P677-Y711 WeakPolarHBondContact CD-OH 3.18Å; P677-Y711 WeakPolarHBondContact CG-OH 3.38Å; P677-Y711 PolarHBondContact O-OH 3.43Å; L707-Y711 HydrophobicContact CD2-CD2 4.45Å; L707-Y711 HydrophobicContact CD2-CE2 3.86Å; L707-Y711 WeakPolarHBondContact O-CD2 3.2Å; L707-Y711 PolarHBondContact O-N 2.96Å; K708-Y711 PolarHBondContact O-N 2.65Å; Y711-R713 VanDerWaalsContact C-N 3.29Å; Y711-R713 PolarHBondContact O-N 2.85Å; Y711-V714 CarbonylContact O-C 3.42Å; Y711-V714 VanDerWaalsContact O-CG2 3.24Å; Y711-V714 WeakPolarHBondContact O-CG2 3.44Å; Y711-V714 PolarHBondContact O-N 3.16Å; Y711-Q715 PolarHBondContact O-N 3.34Å; Y711-L716 CarbonylContact C-O 3.47Å; Y711-L716 VanDerWaalsContact C-O 3.28Å; Y711-L716 HydrophobicContact CD1-CB 4.21Å; Y711-L716 PolarHBondContact O-N 2.88Å; Y711-S717 VanDerWaalsContact CD1-O 3.26Å; Y711-S717 WeakPolarHBondContact CD1-O 3.25Å; Y711-P719 HydrophobicContact CD1-CG 4.48Å; Y711-P719 HydrophobicContact CD2-CG 4.36Å; Y711-P719 HydrophobicContact CE1-CB 3.75Å; Y711-P719 HydrophobicContact CE1-CG 3.9Å; Y711-P719 HydrophobicContact CE2-CB 4.47Å; Y711-P719 HydrophobicContact CE2-CG 3.76Å; Y711-P719 VanDerWaalsContact CZ-CG 3.49Å
712	A	97	Very high	96.1	Very high	64 Å²	64	58 Å²	58	53%	0.529	30%	0.304	S	S	.	.	H	α-helix	trans	-60.8	-34	171	0	0	0	0	0	113	K708 V714 Q715	K708-A712 VanDerWaalsContact O-CB 3.24Å; K708-A712 WeakPolarHBondContact O-CB 3.44Å; K708-A712 PolarHBondContact O-N 3.48Å; A712-V714 PolarHBondContact O-N 3.4Å; A712-Q715 PolarHBondContact O-N 3.32Å
713	R	94.9	Very high	96.3	Very high	160 Å²	160	55.9 Å²	55.9	60%	0.604	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-24.5	173.6	-74.3	174.7	-178.1	161.4	3.6	113.9	T709 E710 Y711	T709-R713 WeakPolarHBondContact O-CG 3.29Å; T709-R713 PolarHBondContact O-N 3.41Å; E710-R713 WeakPolarHBondContact O-CB 3.19Å; E710-R713 PolarHBondContact O-N 3.33Å; E710-R713 IonicContact OE1-CZ 3.59Å; E710-R713 IonicContact OE1-NH1 2.67Å; E710-R713 PolarHBondContact OE1-NH1 2.89Å; E710-R713 IonicContact OE2-CZ 2.74Å; E710-R713 IonicContact OE2-NE 2.82Å; E710-R713 IonicContact OE2-NH1 2.64Å; E710-R713 PolarHBondContact OE2-NH1 2.69Å; Y711-R713 VanDerWaalsContact C-N 3.29Å; Y711-R713 PolarHBondContact O-N 2.85Å
714	V	94.7	Very high	96.4	Very high	54 Å²	54	55.7 Å²	55.7	33%	0.327	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.4	19.2	174.4	-59.6	0	0	0	0	112.2	L676 Y711 A712 L716	L676-V714 HydrophobicContact CD1-CG2 3.52Å; L676-V714 HydrophobicContact CG-CG2 4.44Å; Y711-V714 CarbonylContact O-C 3.42Å; Y711-V714 VanDerWaalsContact O-CG2 3.24Å; Y711-V714 WeakPolarHBondContact O-CG2 3.44Å; Y711-V714 PolarHBondContact O-N 3.16Å; A712-V714 PolarHBondContact O-N 3.4Å; V714-L716 HydrophobicContact CG2-CB 4.23Å; V714-L716 HydrophobicContact CG2-CD1 3.91Å; V714-L716 HydrophobicContact CG2-CG 4.01Å; V714-L716 PolarHBondContact O-N 2.86Å
715	Q	95.6	Very high	96.4	Very high	186 Å²	186	54.3 Å²	54.3	87%	0.869	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.4	31.5	177.7	-56.8	177.3	-3.2	0	0	114.3	Y711 A712	Y711-Q715 PolarHBondContact O-N 3.34Å; A712-Q715 PolarHBondContact O-N 3.32Å
716	L	95.7	Very high	96.4	Very high	90 Å²	90	49.7 Å²	49.7	47%	0.471	26%	0.263	S	S	.	.			trans	-107.9	153.3	175.7	-66.4	178.8	0	0	0	112.1	Y711 V714	Y711-L716 CarbonylContact C-O 3.47Å; Y711-L716 VanDerWaalsContact C-O 3.28Å; Y711-L716 HydrophobicContact CD1-CB 4.21Å; Y711-L716 PolarHBondContact O-N 2.88Å; V714-L716 HydrophobicContact CG2-CB 4.23Å; V714-L716 HydrophobicContact CG2-CD1 3.91Å; V714-L716 HydrophobicContact CG2-CG 4.01Å; V714-L716 PolarHBondContact O-N 2.86Å
717	S	95.3	Very high	96.1	Very high	94 Å²	94	50 Å²	50	66%	0.657	27%	0.269	S	S	*	.	P	Polyproline II helix	trans	-64.3	152.4	164.7	52.5	0	0	0	0	111.2	Y711	Y711-S717 VanDerWaalsContact CD1-O 3.26Å; Y711-S717 WeakPolarHBondContact CD1-O 3.25Å
718	P	95.8	Very high	95.6	Very high	71 Å²	71	52.6 Å²	52.6	46%	0.461	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-59.1	149.5	175.9	25.6	-35.6	0	0	0	111.6	K708	K708-P718 HydrophobicContact CG-CB 4.02Å; K708-P718 HydrophobicContact CG-CG 4.16Å
719	P	97.4	Very high	94.5	Very high	14 Å²	14	49.3 Å²	49.3	9%	0.091	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-72.8	160.4	-177.2	33.2	-36.2	0	0	0	111.2	I680 L707 Y711 L721	I680-P719 HydrophobicContact CD1-CB 4.31Å; I680-P719 HydrophobicContact CD1-CG 3.78Å; I680-P719 HydrophobicContact CG1-CB 4.31Å; I680-P719 HydrophobicContact CG1-CG 4.27Å; L707-P719 HydrophobicContact CD1-CG 4.17Å; L707-P719 HydrophobicContact CD2-CG 4.18Å; Y711-P719 HydrophobicContact CD1-CG 4.48Å; Y711-P719 HydrophobicContact CD2-CG 4.36Å; Y711-P719 HydrophobicContact CE1-CB 3.75Å; Y711-P719 HydrophobicContact CE1-CG 3.9Å; Y711-P719 HydrophobicContact CE2-CB 4.47Å; Y711-P719 HydrophobicContact CE2-CG 3.76Å; Y711-P719 VanDerWaalsContact CZ-CG 3.49Å; P719-L721 PolarHBondContact O-N 3.06Å
720	Q	97.7	Very high	93.3	Very high	60 Å²	60	51.4 Å²	51.4	28%	0.28	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	129.2	165.1	-58.2	-169.3	-67.7	0	0	109.1	S678 R679 I680 S782 M783	S678-Q720 PolarHBondContact O-N 3.39Å; R679-Q720 CarbonylContact C-O 3.55Å; R679-Q720 WeakPolarHBondContact CA-O 3.45Å; R679-Q720 HydrophobicContact CG-CB 4.25Å; I680-Q720 PolarHBondContact N-O 3.37Å; Q720-S782 PolarHBondContact NE2-O 3.11Å; Q720-M783 HydrophobicContact CB-SD 3.85Å; Q720-M783 PolarHBondContact NE2-O 2.82Å
721	L	97.6	Very high	92.8	Very high	5 Å²	5	52.6 Å²	52.6	3%	0.026	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	131.5	-176.3	173.6	67.7	0	0	0	110.4	I680 I703 I704 L707 P719 Y780 S781 S782	I680-L721 HydrophobicContact CB-CD1 4Å; I680-L721 HydrophobicContact CG2-CD1 3.89Å; I680-L721 CarbonylContact O-C 3.29Å; I680-L721 WeakPolarHBondContact O-CA 3.44Å; I703-L721 HydrophobicContact CG2-CD2 4.07Å; I704-L721 HydrophobicContact CG1-CD2 3.92Å; L707-L721 HydrophobicContact CD1-CD1 4.47Å; L707-L721 HydrophobicContact CD1-CD2 4.07Å; P719-L721 PolarHBondContact O-N 3.06Å; L721-Y780 HydrophobicContact CB-CD1 4.37Å; L721-Y780 HydrophobicContact CB-CE1 4.11Å; L721-Y780 HydrophobicContact CD2-CD1 4.03Å; L721-Y780 HydrophobicContact CD2-CE1 4.17Å; L721-Y780 HydrophobicContact CG-CD1 4.13Å; L721-Y780 HydrophobicContact CG-CE1 4.32Å; L721-S781 CarbonylContact O-C 3.49Å; L721-S781 VanDerWaalsContact O-CA 3.29Å; L721-S781 WeakPolarHBondContact O-CA 3.29Å; L721-S782 PolarHBondContact N-OG 3.42Å; L721-S782 PolarHBondContact O-N 3Å; L721-S782 PolarHBondContact O-OG 3.2Å
722	A	97.6	Very high	92.5	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	125.5	158.1	0	0	0	0	0	110.3	I680 V681 F682 I724 Y780 M783 M790	I680-A722 PolarHBondContact O-N 2.89Å; V681-A722 HydrophobicContact CG2-CB 4.45Å; F682-A722 PolarHBondContact N-O 3.39Å; A722-I724 HydrophobicContact CB-CD1 4.47Å; A722-I724 HydrophobicContact CB-CG1 4.39Å; A722-Y780 WeakPolarHBondContact CA-O 3.46Å; A722-M783 HydrophobicContact CB-CG 3.56Å; A722-M790 HydrophobicContact CB-CE 3.58Å
723	Y	96.8	Very high	92.3	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	117.7	174.1	-170.5	-71.3	0	0	0	109.2	F682 R684 L695 E699 V700 I703 V725 L779 Y780	F682-Y723 HydrophobicContact CB-CD2 4.18Å; F682-Y723 AromaticContact CD1-CD2 3.68Å; F682-Y723 HydrophobicContact CD1-CD2 3.68Å; F682-Y723 AromaticContact CD1-CE2 3.44Å; F682-Y723 HydrophobicContact CD1-CE2 3.44Å; F682-Y723 VanDerWaalsContact CD1-CE2 3.44Å; F682-Y723 HydrophobicContact CD1-CG 4.42Å; F682-Y723 AromaticContact CD1-CZ 3.99Å; F682-Y723 HydrophobicContact CE1-CD2 4.32Å; F682-Y723 AromaticContact CE1-CE2 3.62Å; F682-Y723 HydrophobicContact CE1-CE2 3.62Å; F682-Y723 HydrophobicContact CG-CD2 4.02Å; F682-Y723 HydrophobicContact CG-CE2 4.14Å; F682-Y723 HydrophobicContact CZ-CE2 4.42Å; R684-Y723 HydrophobicContact CB-CE1 3.99Å; R684-Y723 WeakPolarHBondContact CD-OH 3.34Å; R684-Y723 HydrophobicContact CG-CE1 4.43Å; R684-Y723 VanDerWaalsContact CG-OH 3.27Å; R684-Y723 WeakPolarHBondContact CG-OH 3.18Å; L695-Y723 HydrophobicContact CD2-CE1 3.88Å; E699-Y723 PolarHBondContact OE2-OH 2.84Å; V700-Y723 HydrophobicContact CG2-CD1 3.73Å; V700-Y723 HydrophobicContact CG2-CD2 3.93Å; V700-Y723 HydrophobicContact CG2-CE1 3.89Å; V700-Y723 HydrophobicContact CG2-CE2 4.06Å; V700-Y723 HydrophobicContact CG2-CG 3.77Å; I703-Y723 HydrophobicContact CD1-CD2 4.24Å; I703-Y723 HydrophobicContact CD1-CE2 3.91Å; Y723-V725 HydrophobicContact CE1-CG2 4.03Å; Y723-L779 HydrophobicContact CD1-CB 4.21Å; Y723-L779 HydrophobicContact CD1-CD1 3.95Å; Y723-L779 HydrophobicContact CD1-CG 4.15Å; Y723-L779 HydrophobicContact CE1-CD1 3.91Å; Y723-L779 PolarHBondContact O-N 3Å; Y723-Y780 PolarHBondContact N-O 3.46Å
724	I	96.8	Very high	92.3	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	116.9	-169.3	-48.2	178.8	0	0	0	109.6	V681 F682 Y683 R684 A722 Y776 N777 V778 M790	V681-I724 HydrophobicContact CG1-CD1 3.99Å; F682-I724 PolarHBondContact O-N 3.49Å; Y683-I724 WeakPolarHBondContact CA-O 3.44Å; Y683-I724 HydrophobicContact CD1-CB 3.93Å; Y683-I724 HydrophobicContact CD1-CD1 4.22Å; Y683-I724 HydrophobicContact CD1-CG2 4.14Å; Y683-I724 HydrophobicContact CE1-CB 4.22Å; Y683-I724 HydrophobicContact CE1-CD1 3.67Å; Y683-I724 HydrophobicContact CE1-CG1 4.49Å; Y683-I724 HydrophobicContact CE1-CG2 4.25Å; R684-I724 PolarHBondContact N-O 3.44Å; A722-I724 HydrophobicContact CB-CD1 4.47Å; A722-I724 HydrophobicContact CB-CG1 4.39Å; I724-Y776 HydrophobicContact CG2-CD1 4.17Å; I724-N777 CarbonylContact C-O 3.5Å; I724-N777 WeakPolarHBondContact CA-O 3.17Å; I724-V778 HydrophobicContact CG1-CG2 4.24Å; I724-V778 HydrophobicContact CG2-CG2 4.47Å; I724-M790 HydrophobicContact CD1-CE 3.64Å
725	V	95	Very high	92.2	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.006	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	126.5	169.9	174.1	0	0	0	0	109.4	R684 V687 L692 L695 Y723 Y776 N777 L779	R684-V725 HydrophobicContact CB-CG2 4.37Å; V687-V725 HydrophobicContact CB-CG1 4.1Å; L692-V725 HydrophobicContact CD2-CB 4.46Å; L692-V725 HydrophobicContact CD2-CG1 4.24Å; L692-V725 HydrophobicContact CD2-CG2 4.09Å; L695-V725 HydrophobicContact CD2-CG2 3.55Å; Y723-V725 HydrophobicContact CE1-CG2 4.03Å; V725-Y776 WeakPolarHBondContact O-CA 3.19Å; V725-N777 PolarHBondContact N-O 3.2Å; V725-N777 PolarHBondContact O-N 3.5Å; V725-L779 HydrophobicContact CG2-CD1 3.6Å; V725-L779 HydrophobicContact CG2-CD2 4.25Å; V725-L779 HydrophobicContact CG2-CG 3.89Å
726	V	95.3	Very high	92.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	113.7	177.3	-174.6	0	0	0	0	108.2	Y683 R684 T774 Y776 V810	Y683-V726 HydrophobicContact CD1-CG2 3.7Å; Y683-V726 HydrophobicContact CG-CG2 4.25Å; R684-V726 PolarHBondContact O-N 2.87Å; V726-T774 HydrophobicContact CG1-CG2 3.51Å; V726-Y776 HydrophobicContact CB-CE1 4.46Å; V726-Y776 HydrophobicContact CG1-CD1 4.39Å; V726-Y776 HydrophobicContact CG1-CE1 3.91Å; V726-Y776 HydrophobicContact CG2-CD1 3.9Å; V726-Y776 HydrophobicContact CG2-CE1 3.85Å; V726-V810 HydrophobicContact CG1-CB 4.21Å; V726-V810 HydrophobicContact CG1-CG1 3.81Å
727	T	90.8	Very high	91.9	Very high	53 Å²	53	35.7 Å²	35.7	33%	0.325	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	122.5	178.4	-56.1	0	0	0	0	110.5	S729 S775	T727-S729 VanDerWaalsContact C-N 3.27Å; T727-S729 PolarHBondContact O-N 2.9Å; T727-S775 PolarHBondContact N-O 2.84Å; T727-S775 PolarHBondContact O-N 2.65Å
728	R	85.7	Confident	91.4	Very high	60 Å²	60	32.1 Å²	32.1	23%	0.226	17%	0.174	C	C	.	.			trans	-72.1	79.2	171.4	-67.6	-173.9	-173	88.5	6.4	110.1	D685 M730 V810	D685-R728 VanDerWaalsContact CG-NH1 3.31Å; D685-R728 IonicContact OD1-CZ 2.92Å; D685-R728 IonicContact OD1-NH1 2.79Å; D685-R728 PolarHBondContact OD1-NH1 2.98Å; D685-R728 IonicContact OD2-CZ 2.7Å; D685-R728 IonicContact OD2-NH1 2.8Å; D685-R728 PolarHBondContact OD2-NH1 3.26Å; D685-R728 IonicContact OD2-NH2 3.65Å; D685-R728 PolarHBondContact OD2-NH2 3.16Å; R728-M730 PolarHBondContact O-N 2.79Å; R728-V810 HydrophobicContact CG-CG1 4.26Å
729	S	75.2	Confident	91.2	Very high	17 Å²	17	35.3 Å²	35.3	12%	0.119	18%	0.183	C	C	.	.			trans	-57.4	126.3	176.4	-169.1	0	0	0	0	109.9	T727 N731 T732 R809	T727-S729 VanDerWaalsContact C-N 3.27Å; T727-S729 PolarHBondContact O-N 2.9Å; S729-N731 PolarHBondContact OG-N 3.37Å; S729-T732 WeakPolarHBondContact OG-CB 3.39Å; S729-T732 PolarHBondContact OG-N 2.89Å; S729-T732 VanDerWaalsContact OG-N 3.08Å; S729-T732 PolarHBondContact OG-OG1 3.37Å; S729-R809 PolarHBondContact O-NH2 3.07Å
730	M	71.7	Confident	91.1	Very high	118 Å²	118	36.8 Å²	36.8	58%	0.581	19%	0.19	S	C	*	.	S	Bend	trans	-101.7	-17.4	170.4	-56.7	-171.3	90.1	0	0	110.7	E253 R728 R733	E253-M730 WeakPolarHBondContact CG-O 3.13Å; E253-M730 VanDerWaalsContact OE1-O 3.13Å; R728-M730 PolarHBondContact O-N 2.79Å; M730-R733 PolarHBondContact O-NE 3.41Å; M730-R733 PolarHBondContact O-NH2 3.42Å
731	N	84.7	Confident	91	Very high	53 Å²	53	34 Å²	34	28%	0.283	18%	0.177	S	C	.	.	S	Bend	trans	-95.4	-31.9	-171.3	-56.8	11.6	0	0	0	111.8	N102 E238 S729	N102-N731 PolarHBondContact ND2-O 2.76Å; E238-N731 VanDerWaalsContact CD-ND2 3.35Å; E238-N731 PolarHBondContact OE1-ND2 2.92Å; E238-N731 PolarHBondContact OE1-OD1 3.49Å; S729-N731 PolarHBondContact OG-N 3.37Å
732	T	91.5	Very high	90.9	Very high	8 Å²	8	35.8 Å²	35.8	5%	0.049	19%	0.189	C	C	.	.			trans	-83.1	125.1	174.8	-38.4	0	0	0	0	109	F103 S729 I751 Y760 P773	F103-T732 HydrophobicContact CE2-CG2 3.84Å; F103-T732 HydrophobicContact CZ-CG2 4.27Å; S729-T732 WeakPolarHBondContact OG-CB 3.39Å; S729-T732 PolarHBondContact OG-N 2.89Å; S729-T732 VanDerWaalsContact OG-N 3.08Å; S729-T732 PolarHBondContact OG-OG1 3.37Å; T732-I751 HydrophobicContact CG2-CD1 3.92Å; T732-Y760 HydrophobicContact CG2-CD1 4.19Å; T732-Y760 HydrophobicContact CG2-CD2 4.45Å; T732-Y760 HydrophobicContact CG2-CE1 3.67Å; T732-Y760 HydrophobicContact CG2-CE2 3.98Å; T732-Y760 WeakPolarHBondContact OG1-CE1 3.2Å; T732-Y760 PolarHBondContact OG1-OH 2.95Å; T732-Y760 VanDerWaalsContact OG1-OH 3.05Å; T732-P773 VanDerWaalsContact O-CD 3.29Å; T732-P773 WeakPolarHBondContact O-CD 3.3Å; T732-P773 WeakPolarHBondContact O-CG 3.47Å
733	R	92.9	Very high	90.9	Very high	14 Å²	14	36.2 Å²	36.2	5%	0.053	19%	0.192	C	C	.	.			trans	-130.3	149	173	-54.9	-65.6	179.4	171.9	-7.1	110	T101 N102 E253 M730 F735 V771 S772	T101-R733 CarbonylContact C-O 3.58Å; T101-R733 WeakPolarHBondContact CA-O 3.36Å; N102-R733 HydrophobicContact CB-CB 3.99Å; N102-R733 PolarHBondContact N-O 2.93Å; N102-R733 PolarHBondContact OD1-N 3.03Å; N102-R733 PolarHBondContact OD1-O 3.03Å; N102-R733 VanDerWaalsContact OD1-O 3.09Å; E253-R733 IonicContact OE1-CZ 2.77Å; E253-R733 IonicContact OE1-NE 3.04Å; E253-R733 PolarHBondContact OE1-NE 3.22Å; E253-R733 IonicContact OE1-NH2 3.19Å; E253-R733 PolarHBondContact OE1-NH2 2.84Å; M730-R733 PolarHBondContact O-NE 3.41Å; M730-R733 PolarHBondContact O-NH2 3.42Å; R733-F735 HydrophobicContact CB-CE1 4.49Å; R733-F735 HydrophobicContact CB-CE2 4.14Å; R733-F735 HydrophobicContact CB-CZ 3.82Å; R733-V771 PolarHBondContact NH1-O 3.01Å; R733-S772 VanDerWaalsContact NH1-CB 3.35Å; R733-S772 PolarHBondContact NH1-OG 2.9Å
734	F	94.2	Very high	90.9	Very high	6 Å²	6	36.2 Å²	36.2	3%	0.026	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	155.2	166	46.7	-94.6	0	0	0	110.1	L99 Q100 T101 P741 T745 V747 I751 Y760 V762 P773	L99-F734 HydrophobicContact CB-CB 4.35Å; L99-F734 HydrophobicContact CD1-CD2 3.95Å; L99-F734 HydrophobicContact CD1-CE2 4.39Å; Q100-F734 CarbonylContact O-C 3.22Å; Q100-F734 WeakPolarHBondContact O-CA 3.46Å; T101-F734 HydrophobicContact CG2-CB 4.39Å; F734-P741 HydrophobicContact CD2-CB 4.5Å; F734-P741 HydrophobicContact CD2-CG 3.75Å; F734-P741 HydrophobicContact CE2-CG 4.18Å; F734-P741 VanDerWaalsContact O-CD 3.29Å; F734-P741 WeakPolarHBondContact O-CD 3.45Å; F734-P741 WeakPolarHBondContact O-CG 3.42Å; F734-T745 HydrophobicContact CE2-CG2 4.05Å; F734-V747 HydrophobicContact CD1-CG2 4.17Å; F734-V747 HydrophobicContact CD2-CG2 4.11Å; F734-V747 HydrophobicContact CE1-CB 4.37Å; F734-V747 HydrophobicContact CE1-CG2 4.02Å; F734-V747 HydrophobicContact CE2-CG2 3.97Å; F734-V747 HydrophobicContact CG-CG2 4.2Å; F734-V747 HydrophobicContact CZ-CB 4.47Å; F734-V747 HydrophobicContact CZ-CG2 3.92Å; F734-I751 HydrophobicContact CD1-CD1 3.99Å; F734-Y760 HydrophobicContact CE1-CG 4.23Å; F734-V762 HydrophobicContact CE2-CG2 3.55Å; F734-V762 HydrophobicContact CZ-CG2 3.78Å; F734-P773 HydrophobicContact CD1-CG 4.29Å; F734-P773 HydrophobicContact CE1-CB 3.67Å; F734-P773 HydrophobicContact CE1-CG 3.72Å; F734-P773 HydrophobicContact CZ-CB 3.69Å; F734-P773 HydrophobicContact CZ-CG 4.21Å
735	F	93.9	Very high	90.9	Very high	1 Å²	1	36.2 Å²	36.2	0%	0.004	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	139.5	-165.8	-48.2	-77.9	0	0	0	109.1	L99 Q100 T101 P395 R398 R733 Q739 T770	L99-F735 CarbonylContact C-O 3.52Å; L99-F735 WeakPolarHBondContact CA-O 3.23Å; Q100-F735 PolarHBondContact N-O 2.91Å; Q100-F735 VanDerWaalsContact O-CD2 3.3Å; Q100-F735 WeakPolarHBondContact O-CD2 3.46Å; Q100-F735 PolarHBondContact O-N 3.31Å; T101-F735 WeakPolarHBondContact O-CE2 3.34Å; P395-F735 HydrophobicContact CB-CD1 3.75Å; P395-F735 HydrophobicContact CB-CE1 4.07Å; P395-F735 HydrophobicContact CG-CD1 4.29Å; R398-F735 HydrophobicContact CG-CZ 4.35Å; R733-F735 HydrophobicContact CB-CE1 4.49Å; R733-F735 HydrophobicContact CB-CE2 4.14Å; R733-F735 HydrophobicContact CB-CZ 3.82Å; F735-Q739 VanDerWaalsContact CA-O 3.29Å; F735-Q739 WeakPolarHBondContact CA-O 3.45Å; F735-Q739 WeakPolarHBondContact CB-O 3.09Å; F735-T770 HydrophobicContact CD1-CG2 4.47Å; F735-T770 HydrophobicContact CE1-CG2 3.59Å; F735-T770 HydrophobicContact CZ-CG2 4.35Å
736	L	94.1	Very high	91.1	Very high	34 Å²	34	36.2 Å²	36.2	18%	0.178	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-102.1	117.5	172.3	-178.6	60.2	0	0	0	107.7	V97 M98 L99 I437 G738 Q739 P742	V97-L736 HydrophobicContact CB-CD1 4.01Å; V97-L736 HydrophobicContact CG1-CD1 4.34Å; M98-L736 WeakPolarHBondContact O-CD1 3.36Å; L99-L736 HydrophobicContact CD2-CB 3.83Å; L99-L736 HydrophobicContact CD2-CD1 4.03Å; L99-L736 HydrophobicContact CD2-CG 4.48Å; I437-L736 HydrophobicContact CD1-CD2 4.4Å; L736-G738 PolarHBondContact O-N 3.13Å; L736-G738 VanDerWaalsContact O-N 3.16Å; L736-Q739 PolarHBondContact N-O 2.88Å; L736-Q739 VanDerWaalsContact N-O 3.08Å; L736-Q739 WeakPolarHBondContact O-CA 3.11Å; L736-Q739 WeakPolarHBondContact O-CB 3.09Å; L736-Q739 PolarHBondContact O-N 3.42Å; L736-P742 HydrophobicContact CD2-CG 4.42Å
737	N	89.5	Confident	91.2	Very high	141 Å²	141	36.2 Å²	36.2	75%	0.754	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.7	40.4	178.6	-56.5	-19.5	0	0	0	113.9	Q739	N737-Q739 PolarHBondContact O-N 2.82Å
738	G	85.6	Confident	91.4	Very high	19 Å²	19	34 Å²	34	20%	0.196	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.8	8.6	-176.4	0	0	0	0	0	115.5	P395 K396 L736	P395-G738 VanDerWaalsContact CB-O 3.25Å; P395-G738 WeakPolarHBondContact CB-O 3.38Å; K396-G738 PolarHBondContact N-O 2.93Å; L736-G738 PolarHBondContact O-N 3.13Å; L736-G738 VanDerWaalsContact O-N 3.16Å
739	Q	92.3	Very high	91.6	Very high	138 Å²	138	32.2 Å²	32.2	65%	0.645	17%	0.173	S	C	*	.	B	Isolated β-bridge	trans	-113.6	176.4	177.3	-55.6	-165.9	16.8	0	0	112.1	F735 L736 N737	F735-Q739 VanDerWaalsContact CA-O 3.29Å; F735-Q739 WeakPolarHBondContact CA-O 3.45Å; F735-Q739 WeakPolarHBondContact CB-O 3.09Å; L736-Q739 PolarHBondContact N-O 2.88Å; L736-Q739 VanDerWaalsContact N-O 3.08Å; L736-Q739 WeakPolarHBondContact O-CA 3.11Å; L736-Q739 WeakPolarHBondContact O-CB 3.09Å; L736-Q739 PolarHBondContact O-N 3.42Å; N737-Q739 PolarHBondContact O-N 2.82Å
740	N	94.3	Very high	92.3	Very high	44 Å²	44	33.1 Å²	33.1	24%	0.235	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-68.3	131.7	172.2	-79	-43.2	0	0	0	109.5	P395 G769 T770 V771	P395-N740 HydrophobicContact CG-CB 4.29Å; P395-N740 VanDerWaalsContact CG-CG 3.45Å; P395-N740 WeakPolarHBondContact CG-OD1 3.42Å; N740-G769 PolarHBondContact ND2-O 3.04Å; N740-T770 WeakPolarHBondContact OD1-CA 3.2Å; N740-V771 HydrophobicContact CB-CB 4.49Å; N740-V771 HydrophobicContact CB-CG2 3.71Å; N740-V771 PolarHBondContact OD1-N 3.03Å
741	P	95.1	Very high	93.3	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.013	15%	0.15	C	C	.	.	P	Polyproline II helix	trans	-62.8	145.6	173	-17.6	29.9	0	0	0	111.4	L99 F734 T745 V762	L99-P741 HydrophobicContact CD2-CG 4.44Å; F734-P741 HydrophobicContact CD2-CB 4.5Å; F734-P741 HydrophobicContact CD2-CG 3.75Å; F734-P741 HydrophobicContact CE2-CG 4.18Å; F734-P741 VanDerWaalsContact O-CD 3.29Å; F734-P741 WeakPolarHBondContact O-CD 3.45Å; F734-P741 WeakPolarHBondContact O-CG 3.42Å; P741-T745 HydrophobicContact CB-CG2 3.92Å; P741-T745 WeakPolarHBondContact CB-OG1 3.44Å; P741-V762 HydrophobicContact CB-CG2 4.42Å
742	P	95.9	Very high	93.7	Very high	43 Å²	43	25 Å²	25	28%	0.279	14%	0.136	S	C	.	.	P	Polyproline II helix	trans	-70	160.3	178.3	28.7	-35	0	0	0	112.5	I437 L736 G744 T745	I437-P742 HydrophobicContact CD1-CG 3.58Å; I437-P742 HydrophobicContact CG1-CG 4.2Å; I437-P742 HydrophobicContact CG2-CG 4.49Å; L736-P742 HydrophobicContact CD2-CG 4.42Å; P742-G744 PolarHBondContact O-N 3.17Å; P742-T745 WeakPolarHBondContact CD-OG1 3.27Å; P742-T745 WeakPolarHBondContact O-CB 3.46Å; P742-T745 PolarHBondContact O-N 2.8Å; P742-T745 PolarHBondContact O-OG1 3.25Å
743	P	97.2	Very high	93.6	Very high	9 Å²	9	25.3 Å²	25.3	6%	0.058	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.5	136.2	166.7	-28.1	37.6	0	0	0	112.3	A456 V762 S763 Q765 Y795	A456-P743 HydrophobicContact CB-CB 3.66Å; A456-P743 HydrophobicContact CB-CG 3.84Å; P743-V762 CarbonylContact C-O 3.56Å; P743-V762 WeakPolarHBondContact CA-O 3.07Å; P743-S763 WeakPolarHBondContact CB-O 3.4Å; P743-Q765 HydrophobicContact CG-CB 3.9Å; P743-Q765 HydrophobicContact CG-CG 4.13Å; P743-Y795 WeakPolarHBondContact CB-OH 3.41Å
744	G	97.1	Very high	93.3	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.2	-3.2	-177	0	0	0	0	0	114.5	I438 P742 I746 V762 Y795	I438-G744 PolarHBondContact N-O 2.92Å; P742-G744 PolarHBondContact O-N 3.17Å; G744-I746 PolarHBondContact O-N 3.04Å; G744-V762 PolarHBondContact N-O 3.5Å; G744-Y795 VanDerWaalsContact CA-CZ 3.48Å; G744-Y795 PolarHBondContact N-OH 3.11Å
745	T	97.8	Very high	92.9	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	128.2	175.5	-52.1	0	0	0	0	111.4	L99 R436 F734 P741 P742 L761 V762	L99-T745 HydrophobicContact CD1-CG2 3.67Å; L99-T745 HydrophobicContact CD2-CG2 4.18Å; R436-T745 CarbonylContact O-C 3.56Å; R436-T745 WeakPolarHBondContact O-CA 3.31Å; F734-T745 HydrophobicContact CE2-CG2 4.05Å; P741-T745 HydrophobicContact CB-CG2 3.92Å; P741-T745 WeakPolarHBondContact CB-OG1 3.44Å; P742-T745 WeakPolarHBondContact CD-OG1 3.27Å; P742-T745 WeakPolarHBondContact O-CB 3.46Å; P742-T745 PolarHBondContact O-N 2.8Å; P742-T745 PolarHBondContact O-OG1 3.25Å; T745-L761 WeakPolarHBondContact O-CA 3.34Å; T745-V762 PolarHBondContact O-N 3Å
746	I	98	Very high	92.6	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	144.3	179.7	-67.3	-168.3	0	0	0	111.3	G435 R436 I438 G744 D748 Y760 L761 Q791	G435-I746 CarbonylContact C-O 3.55Å; G435-I746 WeakPolarHBondContact CA-O 3.31Å; R436-I746 PolarHBondContact N-O 2.81Å; R436-I746 PolarHBondContact O-N 3.4Å; I438-I746 HydrophobicContact CD1-CD1 3.48Å; I438-I746 VanDerWaalsContact CD1-CD1 3.48Å; I438-I746 HydrophobicContact CD1-CG1 4.42Å; I438-I746 HydrophobicContact CG1-CD1 4Å; G744-I746 PolarHBondContact O-N 3.04Å; I746-D748 HydrophobicContact CG2-CB 4.38Å; I746-Y760 VanDerWaalsContact CA-O 3.27Å; I746-Y760 WeakPolarHBondContact CA-O 3.32Å; I746-L761 HydrophobicContact CD1-CD1 4.12Å; I746-L761 HydrophobicContact CG1-CB 4.16Å; I746-L761 HydrophobicContact CG1-CD1 3.68Å; I746-L761 HydrophobicContact CG1-CG 4.49Å; I746-Q791 HydrophobicContact CD1-CB 3.64Å; I746-Q791 HydrophobicContact CD1-CG 4.02Å
747	V	97.2	Very high	92.6	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	117.6	167	-178.5	0	0	0	0	108.9	L99 V433 F734 D749 I751 Y760	L99-V747 HydrophobicContact CD1-CG2 3.49Å; L99-V747 VanDerWaalsContact CD1-CG2 3.49Å; V433-V747 HydrophobicContact CG1-CG1 3.61Å; F734-V747 HydrophobicContact CD1-CG2 4.17Å; F734-V747 HydrophobicContact CD2-CG2 4.11Å; F734-V747 HydrophobicContact CE1-CB 4.37Å; F734-V747 HydrophobicContact CE1-CG2 4.02Å; F734-V747 HydrophobicContact CE2-CG2 3.97Å; F734-V747 HydrophobicContact CG-CG2 4.2Å; F734-V747 HydrophobicContact CZ-CB 4.47Å; F734-V747 HydrophobicContact CZ-CG2 3.92Å; V747-D749 WeakPolarHBondContact CG1-O 3.34Å; V747-I751 HydrophobicContact CB-CD1 4.48Å; V747-I751 HydrophobicContact CG1-CD1 3.86Å; V747-I751 HydrophobicContact CG1-CG1 3.62Å; V747-Y760 PolarHBondContact N-O 3.25Å; V747-Y760 PolarHBondContact O-N 3.25Å
748	D	95.2	Very high	92.8	Very high	6 Å²	6	20.8 Å²	20.8	3%	0.032	11%	0.114	C	C	.	.			trans	-124.6	11.5	-176.6	50.6	2.4	0	0	0	113.4	K90 G91 R436 I746 T752 F759 Q791	K90-D748 WeakPolarHBondContact CA-OD2 3.23Å; G91-D748 PolarHBondContact N-OD2 2.96Å; R436-D748 IonicContact CZ-OD2 3.49Å; R436-D748 IonicContact NH2-OD1 3.97Å; R436-D748 IonicContact NH2-OD2 2.78Å; R436-D748 PolarHBondContact NH2-OD2 2.79Å; I746-D748 HydrophobicContact CG2-CB 4.38Å; D748-T752 PolarHBondContact O-OG1 2.91Å; D748-F759 HydrophobicContact CB-CB 3.85Å; D748-Q791 PolarHBondContact OD2-NE2 3.41Å
749	D	90	Very high	93.4	Very high	23 Å²	23	20 Å²	20	12%	0.123	11%	0.105	C	C	.	.	S	Bend	trans	-140.6	169.6	179.1	-168.5	28	0	0	0	111.3	K90 V747 I751 T752	K90-D749 HydrophobicContact CD-CB 4.03Å; K90-D749 WeakPolarHBondContact CE-OD2 3.19Å; K90-D749 HydrophobicContact CG-CB 4.24Å; K90-D749 VanDerWaalsContact NZ-CG 3.28Å; K90-D749 IonicContact NZ-OD1 3.66Å; K90-D749 IonicContact NZ-OD2 3.12Å; K90-D749 PolarHBondContact NZ-OD2 3.4Å; V747-D749 WeakPolarHBondContact CG1-O 3.34Å; D749-I751 PolarHBondContact O-N 2.81Å; D749-T752 VanDerWaalsContact CA-OG1 3.3Å; D749-T752 WeakPolarHBondContact CA-OG1 3.48Å; D749-T752 PolarHBondContact N-OG1 3.23Å
750	V	90.6	Very high	93.6	Very high	36 Å²	36	14.3 Å²	14.3	22%	0.218	8%	0.078	C	C	.	.	S	Bend	trans	61.6	-48.7	172.3	-170.7	0	0	0	0	116.9	H244 L249 T431 V433	H244-V750 WeakPolarHBondContact CB-O 3.42Å; L249-V750 HydrophobicContact CD1-CG1 4.5Å; L249-V750 WeakPolarHBondContact CD1-O 3.5Å; T431-V750 HydrophobicContact CG2-CG1 4.02Å; V433-V750 HydrophobicContact CB-CB 4.43Å; V433-V750 HydrophobicContact CG1-CB 3.9Å; V433-V750 HydrophobicContact CG1-CG2 4.04Å; V433-V750 HydrophobicContact CG2-CB 3.73Å; V433-V750 HydrophobicContact CG2-CG1 3.75Å; V433-V750 HydrophobicContact CG2-CG2 4.38Å
751	I	92.6	Very high	93.8	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.066	C	C	.	.	S	Bend	trans	-106.8	0.6	177.4	57.4	168.5	0	0	0	113.2	T101 F103 H244 L249 V433 T732 F734 V747 D749 Y760	T101-I751 HydrophobicContact CG2-CD1 4.06Å; T101-I751 HydrophobicContact CG2-CG2 4.02Å; F103-I751 HydrophobicContact CB-CG2 4.42Å; F103-I751 HydrophobicContact CD2-CB 4.41Å; F103-I751 HydrophobicContact CD2-CG2 3.73Å; F103-I751 HydrophobicContact CE2-CB 4.28Å; F103-I751 HydrophobicContact CE2-CG2 4.1Å; F103-I751 HydrophobicContact CG-CG2 3.97Å; H244-I751 PolarHBondContact CE1-O 2.92Å; H244-I751 VanDerWaalsContact CE1-O 3.27Å; H244-I751 VanDerWaalsContact ND1-C 3.3Å; H244-I751 PolarHBondContact ND1-O 2.76Å; H244-I751 VanDerWaalsContact ND1-O 3.16Å; L249-I751 HydrophobicContact CD1-CG2 3.88Å; V433-I751 HydrophobicContact CG2-CG2 4.1Å; T732-I751 HydrophobicContact CG2-CD1 3.92Å; F734-I751 HydrophobicContact CD1-CD1 3.99Å; V747-I751 HydrophobicContact CB-CD1 4.48Å; V747-I751 HydrophobicContact CG1-CD1 3.86Å; V747-I751 HydrophobicContact CG1-CG1 3.62Å; D749-I751 PolarHBondContact O-N 2.81Å; I751-Y760 HydrophobicContact CD1-CD2 4.46Å; I751-Y760 HydrophobicContact CG1-CD2 4.48Å; I751-Y760 HydrophobicContact CG1-CE2 4.35Å
752	T	92.6	Very high	93.9	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.067	C	C	.	.	S	Bend	trans	-74.4	173.6	163.7	43.7	0	0	0	0	111	H244 E245 D748 D749 D758 Y760	H244-T752 PolarHBondContact ND1-O 3.02Å; E245-T752 WeakPolarHBondContact CG-OG1 3.39Å; E245-T752 PolarHBondContact OE1-OG1 3.01Å; D748-T752 PolarHBondContact O-OG1 2.91Å; D749-T752 VanDerWaalsContact CA-OG1 3.3Å; D749-T752 WeakPolarHBondContact CA-OG1 3.48Å; D749-T752 PolarHBondContact N-OG1 3.23Å; T752-D758 WeakPolarHBondContact CB-OD1 3.45Å; T752-D758 WeakPolarHBondContact CG2-O 3.47Å; T752-Y760 HydrophobicContact CG2-CD2 4.2Å; T752-Y760 HydrophobicContact CG2-CE2 4.21Å
753	L	89.1	Confident	93.9	Very high	15 Å²	15	10.3 Å²	10.3	8%	0.079	5%	0.054	C	C	.	.			trans	-107.2	133	-176.7	-69.9	173.2	0	0	0	112	K89 R242 E245 E755 R756 D758	K89-L753 PolarHBondContact NZ-O 3.2Å; R242-L753 HydrophobicContact CB-CD2 4.48Å; E245-L753 PolarHBondContact OE1-N 3.07Å; E245-L753 VanDerWaalsContact OE1-O 3.09Å; L753-E755 VanDerWaalsContact C-N 3.27Å; L753-E755 PolarHBondContact O-N 3.09Å; L753-R756 HydrophobicContact CB-CB 4.28Å; L753-R756 HydrophobicContact CB-CG 4Å; L753-R756 VanDerWaalsContact CD1-CZ 3.48Å; L753-R756 VanDerWaalsContact CD1-NE 3.35Å; L753-R756 PolarHBondContact O-N 2.84Å; L753-D758 PolarHBondContact N-OD1 2.79Å
754	P	87.3	Confident	93.7	Very high	40 Å²	40	12.7 Å²	12.7	26%	0.26	7%	0.065	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-40.3	-172.4	-22.6	29.7	0	0	0	113.3	R82 Q243 H244 E245 R756	R82-P754 VanDerWaalsContact CD-O 3.31Å; R82-P754 WeakPolarHBondContact CD-O 3.49Å; Q243-P754 HydrophobicContact CG-CG 4.34Å; H244-P754 VanDerWaalsContact C-CG 3.46Å; H244-P754 WeakPolarHBondContact O-CG 3.41Å; E245-P754 WeakPolarHBondContact OE1-CA 3.44Å; P754-R756 PolarHBondContact O-N 2.94Å
755	E	85.4	Confident	93.5	Very high	18 Å²	18	15.4 Å²	15.4	8%	0.084	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	4.9	-177.6	81.9	-74.2	175.6	0	0	113.5	Y78 N80 T81 R82 L753	Y78-E755 HydrophobicContact CD2-CG 4.33Å; Y78-E755 HydrophobicContact CE1-CB 4.44Å; Y78-E755 HydrophobicContact CE2-CB 4.03Å; Y78-E755 HydrophobicContact CE2-CG 3.74Å; Y78-E755 WeakPolarHBondContact OH-CB 3.27Å; N80-E755 CarbonylContact C-O 3.49Å; N80-E755 VanDerWaalsContact CA-O 3.31Å; N80-E755 WeakPolarHBondContact CA-O 3.41Å; N80-E755 HydrophobicContact CB-CB 4.45Å; N80-E755 PolarHBondContact OD1-O 2.88Å; T81-E755 PolarHBondContact N-O 3.06Å; R82-E755 PolarHBondContact N-O 3.13Å; L753-E755 VanDerWaalsContact C-N 3.27Å; L753-E755 PolarHBondContact O-N 3.09Å
756	R	89	Confident	93	Very high	33 Å²	33	17.8 Å²	17.8	13%	0.125	9%	0.092	C	C	.	.	S	Bend	trans	-125.3	143.4	-173.7	-57.9	-173.7	-170.6	-161.2	-10.5	112.6	T81 K89 L753 P754 D758	T81-R756 WeakPolarHBondContact OG1-CA 3.32Å; K89-R756 WeakPolarHBondContact CD-O 3.39Å; K89-R756 PolarHBondContact NZ-O 2.87Å; L753-R756 HydrophobicContact CB-CB 4.28Å; L753-R756 HydrophobicContact CB-CG 4Å; L753-R756 VanDerWaalsContact CD1-CZ 3.48Å; L753-R756 VanDerWaalsContact CD1-NE 3.35Å; L753-R756 PolarHBondContact O-N 2.84Å; P754-R756 PolarHBondContact O-N 2.94Å; R756-D758 VanDerWaalsContact C-N 3.3Å; R756-D758 HydrophobicContact CB-CB 3.93Å; R756-D758 PolarHBondContact O-N 2.83Å
757	Y	93.3	Very high	92.3	Very high	9 Å²	9	27.6 Å²	27.6	4%	0.035	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	79.3	156.7	-179.7	-166.3	0	0	0	108.7	T81 L86 K89 V778 P787	T81-Y757 PolarHBondContact OG1-N 2.85Å; L86-Y757 HydrophobicContact CD2-CD1 3.71Å; L86-Y757 HydrophobicContact CD2-CD2 3.67Å; L86-Y757 HydrophobicContact CD2-CE1 4.08Å; L86-Y757 HydrophobicContact CD2-CE2 4.06Å; L86-Y757 HydrophobicContact CD2-CG 3.5Å; K89-Y757 HydrophobicContact CB-CD2 3.85Å; K89-Y757 HydrophobicContact CB-CE2 4.19Å; Y757-V778 HydrophobicContact CD1-CB 3.54Å; Y757-V778 HydrophobicContact CD1-CG1 3.73Å; Y757-V778 HydrophobicContact CD1-CG2 3.95Å; Y757-V778 HydrophobicContact CD2-CG2 4.39Å; Y757-V778 HydrophobicContact CE1-CB 3.96Å; Y757-V778 HydrophobicContact CE1-CG1 3.91Å; Y757-V778 HydrophobicContact CE1-CG2 3.94Å; Y757-V778 HydrophobicContact CE2-CG2 4.37Å; Y757-V778 HydrophobicContact CG-CB 3.89Å; Y757-V778 HydrophobicContact CG-CG2 4.17Å; Y757-V778 WeakPolarHBondContact O-CB 3.43Å; Y757-V778 PolarHBondContact O-N 3.24Å; Y757-P787 HydrophobicContact CE2-CB 4.13Å; Y757-P787 HydrophobicContact CE2-CG 4.21Å; Y757-P787 WeakPolarHBondContact OH-CA 3.43Å
758	D	93.9	Very high	91.6	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.011	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	156.3	-178.1	67.2	-15	0	0	0	114.1	K89 T752 L753 R756 Y776 N777	K89-D758 IonicContact NZ-OD1 2.64Å; K89-D758 PolarHBondContact NZ-OD1 2.91Å; T752-D758 WeakPolarHBondContact CB-OD1 3.45Å; T752-D758 WeakPolarHBondContact CG2-O 3.47Å; L753-D758 PolarHBondContact N-OD1 2.79Å; R756-D758 VanDerWaalsContact C-N 3.3Å; R756-D758 HydrophobicContact CB-CB 3.93Å; R756-D758 PolarHBondContact O-N 2.83Å; D758-Y776 CarbonylContact C-O 3.51Å; D758-Y776 WeakPolarHBondContact CA-O 3.38Å; D758-Y776 WeakPolarHBondContact CB-O 3.46Å; D758-N777 HydrophobicContact CB-CB 4.17Å
759	F	96.8	Very high	91.2	Very high	1 Å²	1	34.5 Å²	34.5	0%	0.004	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	160.3	173	63.3	-87.6	0	0	0	111.1	D748 L761 Y776 Q791 T794	D748-F759 HydrophobicContact CB-CB 3.85Å; F759-L761 HydrophobicContact CD2-CB 4.39Å; F759-L761 HydrophobicContact CE2-CB 4.29Å; F759-Y776 HydrophobicContact CD2-CD2 4.1Å; F759-Y776 HydrophobicContact CD2-CG 4.48Å; F759-Y776 HydrophobicContact CE1-CG 4.48Å; F759-Y776 AromaticContact CE2-CD2 3.6Å; F759-Y776 HydrophobicContact CE2-CD2 3.6Å; F759-Y776 HydrophobicContact CE2-CE2 4.4Å; F759-Y776 AromaticContact CE2-CG 3.79Å; F759-Y776 HydrophobicContact CE2-CG 3.79Å; F759-Y776 VanDerWaalsContact CZ-CB 3.49Å; F759-Y776 HydrophobicContact CZ-CD2 4.11Å; F759-Y776 AromaticContact CZ-CG 3.8Å; F759-Y776 HydrophobicContact CZ-CG 3.8Å; F759-Y776 PolarHBondContact N-O 3.45Å; F759-Y776 PolarHBondContact O-N 3.1Å; F759-Q791 HydrophobicContact CD1-CG 3.98Å; F759-Q791 HydrophobicContact CD2-CG 3.86Å; F759-Q791 HydrophobicContact CE1-CG 4Å; F759-Q791 HydrophobicContact CE2-CB 4.42Å; F759-Q791 HydrophobicContact CE2-CG 3.88Å; F759-Q791 HydrophobicContact CG-CG 3.91Å; F759-Q791 HydrophobicContact CZ-CG 3.95Å; F759-T794 HydrophobicContact CE2-CG2 4.44Å; F759-T794 HydrophobicContact CZ-CG2 4.29Å
760	Y	97.5	Very high	91.1	Very high	19 Å²	19	34.2 Å²	34.2	8%	0.075	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	140.9	169.2	-62.9	-85.3	0	0	0	110.3	T732 F734 I746 V747 I751 T752 P773 T774	T732-Y760 HydrophobicContact CG2-CD1 4.19Å; T732-Y760 HydrophobicContact CG2-CD2 4.45Å; T732-Y760 HydrophobicContact CG2-CE1 3.67Å; T732-Y760 HydrophobicContact CG2-CE2 3.98Å; T732-Y760 WeakPolarHBondContact OG1-CE1 3.2Å; T732-Y760 PolarHBondContact OG1-OH 2.95Å; T732-Y760 VanDerWaalsContact OG1-OH 3.05Å; F734-Y760 HydrophobicContact CE1-CG 4.23Å; I746-Y760 VanDerWaalsContact CA-O 3.27Å; I746-Y760 WeakPolarHBondContact CA-O 3.32Å; V747-Y760 PolarHBondContact N-O 3.25Å; V747-Y760 PolarHBondContact O-N 3.25Å; I751-Y760 HydrophobicContact CD1-CD2 4.46Å; I751-Y760 HydrophobicContact CG1-CD2 4.48Å; I751-Y760 HydrophobicContact CG1-CE2 4.35Å; T752-Y760 HydrophobicContact CG2-CD2 4.2Å; T752-Y760 HydrophobicContact CG2-CE2 4.21Å; Y760-P773 HydrophobicContact CD1-CB 4.47Å; Y760-T774 WeakPolarHBondContact CA-O 3.46Å
761	L	97.8	Very high	91.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	129.6	173.2	162.3	68.1	0	0	0	110	T745 I746 F759 T774 Y776 T794 Y795	T745-L761 WeakPolarHBondContact O-CA 3.34Å; I746-L761 HydrophobicContact CD1-CD1 4.12Å; I746-L761 HydrophobicContact CG1-CB 4.16Å; I746-L761 HydrophobicContact CG1-CD1 3.68Å; I746-L761 HydrophobicContact CG1-CG 4.49Å; F759-L761 HydrophobicContact CD2-CB 4.39Å; F759-L761 HydrophobicContact CE2-CB 4.29Å; L761-T774 PolarHBondContact N-O 3.46Å; L761-T774 PolarHBondContact O-N 3.32Å; L761-Y776 HydrophobicContact CB-CD2 4.24Å; L761-Y776 HydrophobicContact CB-CE2 3.84Å; L761-Y776 HydrophobicContact CD2-CE2 4.13Å; L761-Y776 HydrophobicContact CG-CE2 4.42Å; L761-T794 HydrophobicContact CD2-CG2 4.13Å; L761-Y795 HydrophobicContact CD1-CD2 3.99Å; L761-Y795 HydrophobicContact CD1-CG 4.37Å; L761-Y795 HydrophobicContact CD2-CD2 4.23Å
762	V	97.5	Very high	90.9	Very high	3 Å²	3	34.2 Å²	34.2	2%	0.018	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	95	162.9	172.6	0	0	0	0	107.3	F734 P741 P743 G744 T745 V771 P773	F734-V762 HydrophobicContact CE2-CG2 3.55Å; F734-V762 HydrophobicContact CZ-CG2 3.78Å; P741-V762 HydrophobicContact CB-CG2 4.42Å; P743-V762 CarbonylContact C-O 3.56Å; P743-V762 WeakPolarHBondContact CA-O 3.07Å; G744-V762 PolarHBondContact N-O 3.5Å; T745-V762 PolarHBondContact O-N 3Å; V762-V771 HydrophobicContact CB-CG1 4.23Å; V762-V771 HydrophobicContact CG1-CG1 3.6Å; V762-V771 HydrophobicContact CG2-CG1 3.63Å; V762-P773 HydrophobicContact CG2-CB 4.05Å
763	S	96.3	Very high	91	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.014	17%	0.165	C	C	.	.			trans	-86.1	-35.2	175.6	57.6	0	0	0	0	112.6	P743 T807 T808 R809	P743-S763 WeakPolarHBondContact CB-O 3.4Å; S763-T807 WeakPolarHBondContact O-CB 3.48Å; S763-T807 PolarHBondContact O-OG1 3.15Å; S763-T808 WeakPolarHBondContact CB-O 3.32Å; S763-T808 PolarHBondContact OG-O 3.29Å; S763-R809 VanDerWaalsContact OG-CA 3.29Å; S763-R809 WeakPolarHBondContact OG-CA 3.46Å; S763-R809 PolarHBondContact OG-O 3.3Å
764	Q	93.5	Very high	91.4	Very high	60 Å²	60	33.6 Å²	33.6	28%	0.28	16%	0.162	S	C	.	.	S	Bend	trans	-116.8	126.6	-171.5	174	170.9	71.7	0	0	112.1	T807 R809	Q764-T807 PolarHBondContact NE2-O 3.18Å; Q764-R809 HydrophobicContact CB-CB 4.3Å
765	Q	91.4	Very high	91.8	Very high	56 Å²	56	32.4 Å²	32.4	26%	0.262	15%	0.154	S	C	.	.			trans	-70.1	155.5	170.4	52.7	146.7	-21.7	0	0	112.6	N455 P743	N455-Q765 VanDerWaalsContact O-CD 3.27Å; N455-Q765 WeakPolarHBondContact O-CG 3.39Å; N455-Q765 PolarHBondContact O-NE2 2.88Å; P743-Q765 HydrophobicContact CG-CB 3.9Å; P743-Q765 HydrophobicContact CG-CG 4.13Å
766	V	87.9	Confident	92.3	Very high	51 Å²	51	31.5 Å²	31.5	31%	0.309	15%	0.15	S	C	.	.			trans	-124.2	132.4	172.2	-54.6	0	0	0	0	110.7	Q768 V771	V766-Q768 VanDerWaalsContact C-N 3.3Å; V766-Q768 PolarHBondContact O-N 2.92Å; V766-V771 HydrophobicContact CG1-CG2 4.32Å; V766-V771 HydrophobicContact CG2-CG2 3.81Å
767	R	84.3	Confident	92.5	Very high	205 Å²	205	30.1 Å²	30.1	77%	0.774	15%	0.145	S	C	*	.	S	Bend	trans	-73.5	-20.5	178.7	-62.4	-174.6	-176.9	-173.6	0.9	113.8
768	Q	81.6	Confident	92.6	Very high	139 Å²	139	29.8 Å²	29.8	65%	0.65	14%	0.144	S	C	*	.	S	Bend	trans	-147.5	148.2	-178.5	-69.3	-176.9	-8	0	0	109.9	V766	V766-Q768 VanDerWaalsContact C-N 3.3Å; V766-Q768 PolarHBondContact O-N 2.92Å
769	G	87.1	Confident	92.5	Very high	13 Å²	13	30 Å²	30	13%	0.134	15%	0.145	C	C	.	.	S	Bend	trans	75.9	-160	-178.3	0	0	0	0	0	113.1	M393 P395 N740	M393-G769 CarbonylContact O-C 3.59Å; M393-G769 VanDerWaalsContact O-C 3.29Å; M393-G769 VanDerWaalsContact O-CA 3.25Å; M393-G769 WeakPolarHBondContact O-CA 3.49Å; P395-G769 WeakPolarHBondContact CD-O 3.4Å; N740-G769 PolarHBondContact ND2-O 3.04Å
770	T	87.4	Confident	92.4	Very high	16 Å²	16	33.7 Å²	33.7	10%	0.098	16%	0.16	C	C	.	.			trans	-102.8	135.1	-176.8	-47.9	0	0	0	0	111.6	M393 R398 F735 N740	M393-T770 PolarHBondContact O-N 3.35Å; M393-T770 PolarHBondContact O-OG1 3.43Å; R398-T770 PolarHBondContact NE-OG1 3.48Å; F735-T770 HydrophobicContact CD1-CG2 4.47Å; F735-T770 HydrophobicContact CE1-CG2 3.59Å; F735-T770 HydrophobicContact CZ-CG2 4.35Å; N740-T770 WeakPolarHBondContact OD1-CA 3.2Å
771	V	90.1	Very high	92.2	Very high	6 Å²	6	34.7 Å²	34.7	4%	0.036	17%	0.169	C	C	.	.			trans	-56.6	138.5	170.4	165.8	0	0	0	0	110.3	R733 N740 V762 V766	R733-V771 PolarHBondContact NH1-O 3.01Å; N740-V771 HydrophobicContact CB-CB 4.49Å; N740-V771 HydrophobicContact CB-CG2 3.71Å; N740-V771 PolarHBondContact OD1-N 3.03Å; V762-V771 HydrophobicContact CB-CG1 4.23Å; V762-V771 HydrophobicContact CG1-CG1 3.6Å; V762-V771 HydrophobicContact CG2-CG1 3.63Å; V766-V771 HydrophobicContact CG1-CG2 4.32Å; V766-V771 HydrophobicContact CG2-CG2 3.81Å
772	S	90.1	Very high	92	Very high	30 Å²	30	36.9 Å²	36.9	21%	0.21	18%	0.184	C	C	.	.			trans	-111	103.5	174	-46.7	0	0	0	0	107.6	R733 R809	R733-S772 VanDerWaalsContact NH1-CB 3.35Å; R733-S772 PolarHBondContact NH1-OG 2.9Å; S772-R809 VanDerWaalsContact O-CZ 3.24Å; S772-R809 PolarHBondContact O-NE 3.4Å; S772-R809 PolarHBondContact O-NH2 3.42Å
773	P	94.8	Very high	91.7	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.013	18%	0.184	C	C	.	.			trans	-61.6	161.4	-179.4	26.9	-34.5	0	0	0	111	T732 F734 Y760 V762 R809	T732-P773 VanDerWaalsContact O-CD 3.29Å; T732-P773 WeakPolarHBondContact O-CD 3.3Å; T732-P773 WeakPolarHBondContact O-CG 3.47Å; F734-P773 HydrophobicContact CD1-CG 4.29Å; F734-P773 HydrophobicContact CE1-CB 3.67Å; F734-P773 HydrophobicContact CE1-CG 3.72Å; F734-P773 HydrophobicContact CZ-CB 3.69Å; F734-P773 HydrophobicContact CZ-CG 4.21Å; Y760-P773 HydrophobicContact CD1-CB 4.47Å; V762-P773 HydrophobicContact CG2-CB 4.05Å; P773-R809 PolarHBondContact O-NH2 2.65Å
774	T	96.3	Very high	91.3	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.006	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	129	172.4	-60.9	0	0	0	0	108.2	V726 Y760 L761 Y776 R809 V810	V726-T774 HydrophobicContact CG1-CG2 3.51Å; Y760-T774 WeakPolarHBondContact CA-O 3.46Å; L761-T774 PolarHBondContact N-O 3.46Å; L761-T774 PolarHBondContact O-N 3.32Å; T774-Y776 HydrophobicContact CG2-CD2 4.2Å; T774-Y776 HydrophobicContact CG2-CE1 4.2Å; T774-Y776 HydrophobicContact CG2-CE2 3.49Å; T774-Y776 VanDerWaalsContact CG2-CE2 3.49Å; T774-Y776 WeakPolarHBondContact O-CD2 3.44Å; T774-Y776 WeakPolarHBondContact O-CE2 3.22Å; T774-R809 WeakPolarHBondContact CB-O 3.06Å; T774-R809 WeakPolarHBondContact OG1-CG 3.43Å; T774-R809 PolarHBondContact OG1-NE 3.44Å; T774-R809 PolarHBondContact OG1-O 2.88Å; T774-V810 HydrophobicContact CG2-CG1 4.23Å
775	S	95.1	Very high	91.2	Very high	14 Å²	14	39.4 Å²	39.4	10%	0.098	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	136.1	174.3	179.7	0	0	0	0	108.9	T727	T727-S775 PolarHBondContact N-O 2.84Å; T727-S775 PolarHBondContact O-N 2.65Å
776	Y	96.2	Very high	91.3	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	116.3	176.7	-64.2	-92.3	0	0	0	107.2	Y683 I724 V725 V726 D758 F759 L761 T774 T794 P811	Y683-Y776 HydrophobicContact CD1-CD1 4.48Å; Y683-Y776 HydrophobicContact CE1-CD1 4.3Å; Y683-Y776 HydrophobicContact CE1-CE1 4.37Å; I724-Y776 HydrophobicContact CG2-CD1 4.17Å; V725-Y776 WeakPolarHBondContact O-CA 3.19Å; V726-Y776 HydrophobicContact CB-CE1 4.46Å; V726-Y776 HydrophobicContact CG1-CD1 4.39Å; V726-Y776 HydrophobicContact CG1-CE1 3.91Å; V726-Y776 HydrophobicContact CG2-CD1 3.9Å; V726-Y776 HydrophobicContact CG2-CE1 3.85Å; D758-Y776 CarbonylContact C-O 3.51Å; D758-Y776 WeakPolarHBondContact CA-O 3.38Å; D758-Y776 WeakPolarHBondContact CB-O 3.46Å; F759-Y776 HydrophobicContact CD2-CD2 4.1Å; F759-Y776 HydrophobicContact CD2-CG 4.48Å; F759-Y776 HydrophobicContact CE1-CG 4.48Å; F759-Y776 AromaticContact CE2-CD2 3.6Å; F759-Y776 HydrophobicContact CE2-CD2 3.6Å; F759-Y776 HydrophobicContact CE2-CE2 4.4Å; F759-Y776 AromaticContact CE2-CG 3.79Å; F759-Y776 HydrophobicContact CE2-CG 3.79Å; F759-Y776 VanDerWaalsContact CZ-CB 3.49Å; F759-Y776 HydrophobicContact CZ-CD2 4.11Å; F759-Y776 AromaticContact CZ-CG 3.8Å; F759-Y776 HydrophobicContact CZ-CG 3.8Å; F759-Y776 PolarHBondContact N-O 3.45Å; F759-Y776 PolarHBondContact O-N 3.1Å; L761-Y776 HydrophobicContact CB-CD2 4.24Å; L761-Y776 HydrophobicContact CB-CE2 3.84Å; L761-Y776 HydrophobicContact CD2-CE2 4.13Å; L761-Y776 HydrophobicContact CG-CE2 4.42Å; T774-Y776 HydrophobicContact CG2-CD2 4.2Å; T774-Y776 HydrophobicContact CG2-CE1 4.2Å; T774-Y776 HydrophobicContact CG2-CE2 3.49Å; T774-Y776 VanDerWaalsContact CG2-CE2 3.49Å; T774-Y776 WeakPolarHBondContact O-CD2 3.44Å; T774-Y776 WeakPolarHBondContact O-CE2 3.22Å; Y776-T794 HydrophobicContact CD1-CG2 3.62Å; Y776-T794 HydrophobicContact CD2-CG2 4.36Å; Y776-T794 HydrophobicContact CE1-CG2 3.25Å; Y776-T794 HydrophobicContact CE2-CG2 4.07Å; Y776-T794 HydrophobicContact CG-CG2 4.16Å; Y776-T794 VanDerWaalsContact CZ-CG2 3.49Å; Y776-P811 HydrophobicContact CE1-CG 3.9Å
777	N	94.1	Very high	91.6	Very high	4 Å²	4	36.6 Å²	36.6	2%	0.021	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	111.9	176.8	-179.1	16.2	0	0	0	108.9	T81 I724 V725 D758 L779	T81-N777 PolarHBondContact OG1-OD1 3.4Å; T81-N777 VanDerWaalsContact OG1-OD1 3.04Å; I724-N777 CarbonylContact C-O 3.5Å; I724-N777 WeakPolarHBondContact CA-O 3.17Å; V725-N777 PolarHBondContact N-O 3.2Å; V725-N777 PolarHBondContact O-N 3.5Å; D758-N777 HydrophobicContact CB-CB 4.17Å; N777-L779 HydrophobicContact CB-CD2 4.48Å; N777-L779 VanDerWaalsContact ND2-CD2 3.32Å; N777-L779 WeakPolarHBondContact ND2-CD2 3.42Å; N777-L779 PolarHBondContact O-N 3.2Å
778	V	94.9	Very high	92.1	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.006	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	109.8	175.9	-173.2	0	0	0	0	107.3	T81 I724 Y757 Y780	T81-V778 WeakPolarHBondContact CB-O 3.35Å; T81-V778 PolarHBondContact OG1-O 2.96Å; I724-V778 HydrophobicContact CG1-CG2 4.24Å; I724-V778 HydrophobicContact CG2-CG2 4.47Å; Y757-V778 HydrophobicContact CD1-CB 3.54Å; Y757-V778 HydrophobicContact CD1-CG1 3.73Å; Y757-V778 HydrophobicContact CD1-CG2 3.95Å; Y757-V778 HydrophobicContact CD2-CG2 4.39Å; Y757-V778 HydrophobicContact CE1-CB 3.96Å; Y757-V778 HydrophobicContact CE1-CG1 3.91Å; Y757-V778 HydrophobicContact CE1-CG2 3.94Å; Y757-V778 HydrophobicContact CE2-CG2 4.37Å; Y757-V778 HydrophobicContact CG-CB 3.89Å; Y757-V778 HydrophobicContact CG-CG2 4.17Å; Y757-V778 WeakPolarHBondContact O-CB 3.43Å; Y757-V778 PolarHBondContact O-N 3.24Å; V778-Y780 WeakPolarHBondContact CG1-O 3.44Å
779	L	92.8	Very high	92.7	Very high	7 Å²	7	27 Å²	27	4%	0.037	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	-30.7	179.2	-54.3	-169	0	0	0	112.1	T81 L692 L695 F696 V700 Y723 V725 N777	T81-L779 HydrophobicContact CG2-CD2 3.72Å; L692-L779 HydrophobicContact CD2-CD2 4.38Å; L695-L779 HydrophobicContact CD2-CD1 3.74Å; F696-L779 HydrophobicContact CD2-CB 4.14Å; F696-L779 WeakPolarHBondContact CE2-O 3.29Å; V700-L779 HydrophobicContact CG2-CD1 4.23Å; Y723-L779 HydrophobicContact CD1-CB 4.21Å; Y723-L779 HydrophobicContact CD1-CD1 3.95Å; Y723-L779 HydrophobicContact CD1-CG 4.15Å; Y723-L779 HydrophobicContact CE1-CD1 3.91Å; Y723-L779 PolarHBondContact O-N 3Å; V725-L779 HydrophobicContact CG2-CD1 3.6Å; V725-L779 HydrophobicContact CG2-CD2 4.25Å; V725-L779 HydrophobicContact CG2-CG 3.89Å; N777-L779 HydrophobicContact CB-CD2 4.48Å; N777-L779 VanDerWaalsContact ND2-CD2 3.32Å; N777-L779 WeakPolarHBondContact ND2-CD2 3.42Å; N777-L779 PolarHBondContact O-N 3.2Å
780	Y	93.8	Very high	93.1	Very high	79 Å²	79	26.3 Å²	26.3	31%	0.31	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	142.3	179.9	178.5	-92.2	0	0	0	109.3	V700 I704 L721 A722 Y723 V778	V700-Y780 HydrophobicContact CG1-CG 4.32Å; I704-Y780 HydrophobicContact CD1-CD1 4.09Å; I704-Y780 HydrophobicContact CD1-CD2 3.78Å; I704-Y780 HydrophobicContact CD1-CE1 4Å; I704-Y780 HydrophobicContact CD1-CE2 3.67Å; I704-Y780 HydrophobicContact CD1-CG 3.98Å; I704-Y780 HydrophobicContact CG1-CE1 4.35Å; L721-Y780 HydrophobicContact CB-CD1 4.37Å; L721-Y780 HydrophobicContact CB-CE1 4.11Å; L721-Y780 HydrophobicContact CD2-CD1 4.03Å; L721-Y780 HydrophobicContact CD2-CE1 4.17Å; L721-Y780 HydrophobicContact CG-CD1 4.13Å; L721-Y780 HydrophobicContact CG-CE1 4.32Å; A722-Y780 WeakPolarHBondContact CA-O 3.46Å; Y723-Y780 PolarHBondContact N-O 3.46Å; V778-Y780 WeakPolarHBondContact CG1-O 3.44Å
781	S	93.4	Very high	93.6	Very high	40 Å²	40	25.6 Å²	25.6	28%	0.28	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	122.2	174	-176.6	0	0	0	0	111.7	L721 M783	L721-S781 CarbonylContact O-C 3.49Å; L721-S781 VanDerWaalsContact O-CA 3.29Å; L721-S781 WeakPolarHBondContact O-CA 3.29Å; S781-M783 PolarHBondContact OG-N 2.95Å
782	S	94.4	Very high	94	Very high	45 Å²	45	28.5 Å²	28.5	32%	0.315	17%	0.17	S	C	.	.			trans	-114	19.5	164.6	59.1	0	0	0	0	112.2	Q720 L721 G784	Q720-S782 PolarHBondContact NE2-O 3.11Å; L721-S782 PolarHBondContact N-OG 3.42Å; L721-S782 PolarHBondContact O-N 3Å; L721-S782 PolarHBondContact O-OG 3.2Å; S782-G784 PolarHBondContact O-N 3.24Å
783	M	91	Very high	94.3	Very high	4 Å²	4	27.4 Å²	27.4	2%	0.02	16%	0.161	C	C	.	.	S	Bend	trans	-72	-20.3	-173.5	-72.3	-69.3	-68.6	0	0	115.5	R679 V681 Q720 A722 S781 L785 M790	R679-M783 HydrophobicContact CB-CE 4.09Å; R679-M783 HydrophobicContact CB-SD 4.18Å; R679-M783 HydrophobicContact CG-CE 4.44Å; V681-M783 HydrophobicContact CG2-CE 3.8Å; V681-M783 HydrophobicContact CG2-SD 4.26Å; Q720-M783 HydrophobicContact CB-SD 3.85Å; Q720-M783 PolarHBondContact NE2-O 2.82Å; A722-M783 HydrophobicContact CB-CG 3.56Å; S781-M783 PolarHBondContact OG-N 2.95Å; M783-L785 HydrophobicContact CB-CB 4.29Å; M783-L785 HydrophobicContact CB-CD1 4.36Å; M783-L785 HydrophobicContact CB-CG 4.15Å; M783-L785 HydrophobicContact CE-CD1 3.66Å; M783-L785 HydrophobicContact CE-CG 4.43Å; M783-L785 PolarHBondContact O-N 3.26Å; M783-L785 VanDerWaalsContact O-N 3.15Å; M783-M790 HydrophobicContact CB-SD 4.38Å; M783-M790 HydrophobicContact CG-SD 4.44Å
784	G	88.2	Confident	94.5	Very high	79 Å²	79	27.3 Å²	27.3	81%	0.814	16%	0.161	S	C	*	.			trans	61.3	17.1	-172	0	0	0	0	0	114.3	S782	S782-G784 PolarHBondContact O-N 3.24Å
785	L	91.1	Very high	94.6	Very high	35 Å²	35	27.6 Å²	27.6	18%	0.183	16%	0.162	C	C	.	.			trans	-96.6	133.8	179	-68	-179.4	0	0	0	110.8	L605 M783 K789 M790	L605-L785 HydrophobicContact CD1-CD1 4.12Å; L605-L785 HydrophobicContact CD2-CD2 4.43Å; M783-L785 HydrophobicContact CB-CB 4.29Å; M783-L785 HydrophobicContact CB-CD1 4.36Å; M783-L785 HydrophobicContact CB-CG 4.15Å; M783-L785 HydrophobicContact CE-CD1 3.66Å; M783-L785 HydrophobicContact CE-CG 4.43Å; M783-L785 PolarHBondContact O-N 3.26Å; M783-L785 VanDerWaalsContact O-N 3.15Å; L785-K789 HydrophobicContact CB-CB 4.17Å; L785-K789 HydrophobicContact CD2-CB 4.3Å; L785-K789 HydrophobicContact CD2-CD 4.07Å; L785-M790 HydrophobicContact CB-CG 3.95Å; L785-M790 HydrophobicContact CB-SD 3.86Å; L785-M790 HydrophobicContact CD1-SD 3.74Å; L785-M790 HydrophobicContact CG-SD 4.4Å
786	S	93.4	Very high	94.7	Very high	34 Å²	34	27.9 Å²	27.9	24%	0.238	16%	0.161	C	C	.	.			trans	-61.6	155.5	172.4	56	0	0	0	0	111.6	E788 K789 M790	S786-E788 VanDerWaalsContact C-N 3.29Å; S786-E788 WeakPolarHBondContact CB-OE1 3.39Å; S786-E788 PolarHBondContact O-N 3.45Å; S786-E788 WeakPolarHBondContact OG-CG 3.29Å; S786-E788 PolarHBondContact OG-OE1 3.07Å; S786-K789 WeakPolarHBondContact O-CB 3.47Å; S786-K789 PolarHBondContact O-N 3Å; S786-K789 WeakPolarHBondContact OG-CD 3.25Å; S786-K789 WeakPolarHBondContact OG-CG 3.48Å; S786-M790 PolarHBondContact O-N 2.9Å; S786-M790 VanDerWaalsContact O-N 3.12Å
787	P	94.2	Very high	94.8	Very high	15 Å²	15	27.9 Å²	27.9	10%	0.097	16%	0.161	C	C	.	.	H	α-helix	trans	-52.6	-42.4	-179.2	-29	35.8	0	0	0	114.1	L86 K89 Y757 K789 M790 Q791	L86-P787 HydrophobicContact CD1-CG 4.17Å; K89-P787 VanDerWaalsContact O-CB 3.23Å; K89-P787 WeakPolarHBondContact O-CB 3.36Å; Y757-P787 HydrophobicContact CE2-CB 4.13Å; Y757-P787 HydrophobicContact CE2-CG 4.21Å; Y757-P787 WeakPolarHBondContact OH-CA 3.43Å; P787-K789 VanDerWaalsContact C-N 3.31Å; P787-K789 PolarHBondContact O-N 2.54Å; P787-M790 PolarHBondContact O-N 3.16Å; P787-Q791 WeakPolarHBondContact O-CB 3.49Å; P787-Q791 WeakPolarHBondContact O-CG 3.32Å; P787-Q791 PolarHBondContact O-N 2.89Å
788	E	94	Very high	95	Very high	33 Å²	33	27.7 Å²	27.7	15%	0.154	16%	0.16	C	C	.	.	H	α-helix	trans	-60.7	-35.6	175.7	71.4	-137.9	155.2	0	0	113.4	T92 D93 S786 Q791 K792	T92-E788 WeakPolarHBondContact CB-OE2 3.4Å; T92-E788 PolarHBondContact N-OE2 3.46Å; T92-E788 PolarHBondContact OG1-OE2 2.87Å; D93-E788 HydrophobicContact CB-CB 4.25Å; S786-E788 VanDerWaalsContact C-N 3.29Å; S786-E788 WeakPolarHBondContact CB-OE1 3.39Å; S786-E788 PolarHBondContact O-N 3.45Å; S786-E788 WeakPolarHBondContact OG-CG 3.29Å; S786-E788 PolarHBondContact OG-OE1 3.07Å; E788-Q791 PolarHBondContact O-N 3.33Å; E788-K792 WeakPolarHBondContact O-CB 3.2Å; E788-K792 PolarHBondContact O-N 3.37Å
789	K	95.2	Very high	95.2	Very high	108 Å²	108	27.7 Å²	27.7	47%	0.47	16%	0.16	S	C	.	.	H	α-helix	trans	-71.7	-40.7	179	-69.2	175.6	-171.9	175.6	0	110.1	L785 S786 P787 L793	L785-K789 HydrophobicContact CB-CB 4.17Å; L785-K789 HydrophobicContact CD2-CB 4.3Å; L785-K789 HydrophobicContact CD2-CD 4.07Å; S786-K789 WeakPolarHBondContact O-CB 3.47Å; S786-K789 PolarHBondContact O-N 3Å; S786-K789 WeakPolarHBondContact OG-CD 3.25Å; S786-K789 WeakPolarHBondContact OG-CG 3.48Å; P787-K789 VanDerWaalsContact C-N 3.31Å; P787-K789 PolarHBondContact O-N 2.54Å; K789-L793 WeakPolarHBondContact O-CB 3.1Å; K789-L793 PolarHBondContact O-N 2.87Å
790	M	95.8	Very high	95.4	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-63.8	-43.8	173.1	-69.8	-59.7	-64.5	0	0	112.2	A722 I724 M783 L785 S786 P787 T794	A722-M790 HydrophobicContact CB-CE 3.58Å; I724-M790 HydrophobicContact CD1-CE 3.64Å; M783-M790 HydrophobicContact CB-SD 4.38Å; M783-M790 HydrophobicContact CG-SD 4.44Å; L785-M790 HydrophobicContact CB-CG 3.95Å; L785-M790 HydrophobicContact CB-SD 3.86Å; L785-M790 HydrophobicContact CD1-SD 3.74Å; L785-M790 HydrophobicContact CG-SD 4.4Å; S786-M790 PolarHBondContact O-N 2.9Å; S786-M790 VanDerWaalsContact O-N 3.12Å; P787-M790 PolarHBondContact O-N 3.16Å; M790-T794 WeakPolarHBondContact O-CB 3.44Å; M790-T794 PolarHBondContact O-N 3.36Å; M790-T794 PolarHBondContact O-OG1 2.69Å
791	Q	97.6	Very high	95.6	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-62.7	-48.2	175.5	-74	166.6	8	0	0	112.2	I746 D748 F759 P787 E788 T794 Y795	I746-Q791 HydrophobicContact CD1-CB 3.64Å; I746-Q791 HydrophobicContact CD1-CG 4.02Å; D748-Q791 PolarHBondContact OD2-NE2 3.41Å; F759-Q791 HydrophobicContact CD1-CG 3.98Å; F759-Q791 HydrophobicContact CD2-CG 3.86Å; F759-Q791 HydrophobicContact CE1-CG 4Å; F759-Q791 HydrophobicContact CE2-CB 4.42Å; F759-Q791 HydrophobicContact CE2-CG 3.88Å; F759-Q791 HydrophobicContact CG-CG 3.91Å; F759-Q791 HydrophobicContact CZ-CG 3.95Å; P787-Q791 WeakPolarHBondContact O-CB 3.49Å; P787-Q791 WeakPolarHBondContact O-CG 3.32Å; P787-Q791 PolarHBondContact O-N 2.89Å; E788-Q791 PolarHBondContact O-N 3.33Å; Q791-T794 WeakPolarHBondContact O-CB 3.4Å; Q791-T794 PolarHBondContact O-N 3.43Å; Q791-Y795 PolarHBondContact O-N 2.88Å
792	K	97.1	Very high	95.8	Very high	67 Å²	67	22.7 Å²	22.7	29%	0.291	13%	0.134	S	C	.	.	H	α-helix	trans	-65.3	-39.6	178.2	-174.5	163.3	63	-168.6	0	112	D93 I438 E788 Y795 K796	D93-K792 WeakPolarHBondContact OD2-CE 3.39Å; D93-K792 IonicContact OD2-NZ 2.69Å; D93-K792 PolarHBondContact OD2-NZ 3.23Å; I438-K792 HydrophobicContact CD1-CB 4.17Å; I438-K792 HydrophobicContact CG2-CG 4.46Å; E788-K792 WeakPolarHBondContact O-CB 3.2Å; E788-K792 PolarHBondContact O-N 3.37Å; K792-Y795 PolarHBondContact O-N 3.29Å; K792-K796 WeakPolarHBondContact O-CG 3.39Å; K792-K796 PolarHBondContact O-N 2.79Å
793	L	97.5	Very high	95.9	Very high	7 Å²	7	23 Å²	23	4%	0.037	13%	0.132	C	C	.	.	H	α-helix	trans	-60.1	-48.1	170.2	176.5	59.8	0	0	0	111	L603 L605 L608 V681 K789 Y795 K796 M797	L603-L793 HydrophobicContact CD1-CD1 3.53Å; L605-L793 HydrophobicContact CD1-CD1 4.23Å; L605-L793 HydrophobicContact CD1-CD2 3.86Å; L608-L793 HydrophobicContact CD2-CD1 4.05Å; L608-L793 HydrophobicContact CD2-CD2 4.23Å; V681-L793 HydrophobicContact CG2-CD2 4.03Å; K789-L793 WeakPolarHBondContact O-CB 3.1Å; K789-L793 PolarHBondContact O-N 2.87Å; L793-Y795 VanDerWaalsContact C-N 3.31Å; L793-Y795 PolarHBondContact O-N 2.88Å; L793-K796 WeakPolarHBondContact O-CB 3.42Å; L793-K796 PolarHBondContact O-N 3.11Å; L793-M797 HydrophobicContact CD1-CG 4.25Å; L793-M797 HydrophobicContact CD1-SD 4.41Å; L793-M797 WeakPolarHBondContact O-CG 3.36Å; L793-M797 PolarHBondContact O-N 3.13Å
794	T	98.2	Very high	96.1	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-56.8	-44.7	177.2	-57.2	0	0	0	0	111.5	Y683 F759 L761 Y776 M790 Q791 M797 C798 P811	Y683-T794 HydrophobicContact CE1-CG2 4.03Å; Y683-T794 WeakPolarHBondContact OH-CA 3.43Å; Y683-T794 PolarHBondContact OH-OG1 3.34Å; Y683-T794 VanDerWaalsContact OH-OG1 3.06Å; F759-T794 HydrophobicContact CE2-CG2 4.44Å; F759-T794 HydrophobicContact CZ-CG2 4.29Å; L761-T794 HydrophobicContact CD2-CG2 4.13Å; Y776-T794 HydrophobicContact CD1-CG2 3.62Å; Y776-T794 HydrophobicContact CD2-CG2 4.36Å; Y776-T794 HydrophobicContact CE1-CG2 3.25Å; Y776-T794 HydrophobicContact CE2-CG2 4.07Å; Y776-T794 HydrophobicContact CG-CG2 4.16Å; Y776-T794 VanDerWaalsContact CZ-CG2 3.49Å; M790-T794 WeakPolarHBondContact O-CB 3.44Å; M790-T794 PolarHBondContact O-N 3.36Å; M790-T794 PolarHBondContact O-OG1 2.69Å; Q791-T794 WeakPolarHBondContact O-CB 3.4Å; Q791-T794 PolarHBondContact O-N 3.43Å; T794-M797 PolarHBondContact O-N 3.46Å; T794-C798 PolarHBondContact O-N 3.28Å; T794-C798 PolarHBondContact O-SG 3.44Å; T794-P811 HydrophobicContact CG2-CG 4.31Å
795	Y	98.2	Very high	96.4	Very high	7 Å²	7	24.7 Å²	24.7	3%	0.027	12%	0.115	C	C	.	.	H	α-helix	trans	-65.9	-43.2	176.6	-173.9	-132.4	0	0	0	112.4	I438 Q441 P743 G744 L761 Q791 K792 L793 M797 C798 H799 T807	I438-Y795 HydrophobicContact CB-CD1 4.06Å; I438-Y795 HydrophobicContact CB-CE1 4.36Å; I438-Y795 HydrophobicContact CG2-CD1 3.88Å; I438-Y795 HydrophobicContact CG2-CE1 4.32Å; Q441-Y795 HydrophobicContact CG-CD1 4.08Å; Q441-Y795 HydrophobicContact CG-CE1 4Å; P743-Y795 WeakPolarHBondContact CB-OH 3.41Å; G744-Y795 VanDerWaalsContact CA-CZ 3.48Å; G744-Y795 PolarHBondContact N-OH 3.11Å; L761-Y795 HydrophobicContact CD1-CD2 3.99Å; L761-Y795 HydrophobicContact CD1-CG 4.37Å; L761-Y795 HydrophobicContact CD2-CD2 4.23Å; Q791-Y795 PolarHBondContact O-N 2.88Å; K792-Y795 PolarHBondContact O-N 3.29Å; L793-Y795 VanDerWaalsContact C-N 3.31Å; L793-Y795 PolarHBondContact O-N 2.88Å; Y795-M797 VanDerWaalsContact C-N 3.31Å; Y795-M797 PolarHBondContact O-N 3.38Å; Y795-C798 WeakPolarHBondContact O-CB 3.21Å; Y795-C798 PolarHBondContact O-N 3.07Å; Y795-H799 AromaticContact CD1-CE1 3.97Å; Y795-H799 AromaticContact CD2-CE1 3.95Å; Y795-H799 AromaticContact CE1-CE1 3.76Å; Y795-H799 AromaticContact CE2-CE1 3.7Å; Y795-H799 AromaticContact CZ-CE1 3.62Å; Y795-H799 PolarHBondContact O-CE1 3.26Å; Y795-H799 VanDerWaalsContact O-CE1 3.3Å; Y795-H799 PolarHBondContact O-ND1 2.9Å; Y795-T807 HydrophobicContact CE2-CG2 4.05Å
796	K	98	Very high	96.6	Very high	21 Å²	21	23 Å²	23	9%	0.091	11%	0.107	C	C	.	.	H	α-helix	trans	-54.9	-45.2	172.1	-76.8	176.2	178.1	-67	0	111.7	Q441 I601 E602 K792 L793 C798 H799	Q441-K796 VanDerWaalsContact OE1-CG 3.27Å; I601-K796 HydrophobicContact CG1-CB 4.03Å; I601-K796 HydrophobicContact CG1-CD 4.49Å; I601-K796 HydrophobicContact CG1-CG 3.93Å; I601-K796 HydrophobicContact CG2-CB 4.33Å; E602-K796 WeakPolarHBondContact O-CD 3.17Å; E602-K796 VanDerWaalsContact O-CE 3.25Å; E602-K796 WeakPolarHBondContact O-CE 3.38Å; E602-K796 PolarHBondContact O-NZ 3.36Å; K792-K796 WeakPolarHBondContact O-CG 3.39Å; K792-K796 PolarHBondContact O-N 2.79Å; L793-K796 WeakPolarHBondContact O-CB 3.42Å; L793-K796 PolarHBondContact O-N 3.11Å; K796-C798 PolarHBondContact O-N 2.9Å; K796-H799 WeakPolarHBondContact O-CB 3.49Å; K796-H799 PolarHBondContact O-N 3.46Å; K796-H799 PolarHBondContact O-ND1 2.94Å
797	M	98.3	Very high	96.8	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-64.9	-19.1	178.1	-62.5	-48	-63.4	0	0	113.8	T610 L635 Y683 L793 T794 Y795 H799 L800 P811 A812	T610-M797 HydrophobicContact CG2-CE 3.9Å; T610-M797 HydrophobicContact CG2-CG 4.38Å; L635-M797 HydrophobicContact CD1-CE 3.88Å; L635-M797 HydrophobicContact CD1-SD 4.46Å; Y683-M797 HydrophobicContact CE2-CG 4.42Å; L793-M797 HydrophobicContact CD1-CG 4.25Å; L793-M797 HydrophobicContact CD1-SD 4.41Å; L793-M797 WeakPolarHBondContact O-CG 3.36Å; L793-M797 PolarHBondContact O-N 3.13Å; T794-M797 PolarHBondContact O-N 3.46Å; Y795-M797 VanDerWaalsContact C-N 3.31Å; Y795-M797 PolarHBondContact O-N 3.38Å; M797-H799 VanDerWaalsContact C-N 3.25Å; M797-H799 PolarHBondContact O-N 2.92Å; M797-L800 HydrophobicContact CE-CD1 3.79Å; M797-L800 HydrophobicContact SD-CD1 4.02Å; M797-P811 HydrophobicContact CB-CB 3.96Å; M797-A812 WeakPolarHBondContact O-CB 3.33Å; M797-A812 PolarHBondContact O-N 3.04Å
798	C	98.2	Very high	96.9	Very high	0 Å²	0	21 Å²	21	0%	0	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-5.3	171.2	-69.6	0	0	0	0	114.6	T794 Y795 K796 T807 T808	T794-C798 PolarHBondContact O-N 3.28Å; T794-C798 PolarHBondContact O-SG 3.44Å; Y795-C798 WeakPolarHBondContact O-CB 3.21Å; Y795-C798 PolarHBondContact O-N 3.07Å; K796-C798 PolarHBondContact O-N 2.9Å; C798-T807 WeakPolarHBondContact O-CA 3.47Å; C798-T808 WeakPolarHBondContact CB-O 3.27Å; C798-T808 PolarHBondContact O-N 2.82Å; C798-T808 PolarHBondContact O-OG1 2.87Å
799	H	98.3	Very high	96.9	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-6.7	179.5	-63.9	71.8	0	0	0	113.7	I443 W458 W599 I601 Y795 K796 M797 T807	I443-H799 HydrophobicContact CD1-CB 4.23Å; W458-H799 HydrophobicContact CH2-CB 3.89Å; W458-H799 AromaticContact CH2-CD2 3.79Å; W458-H799 WeakPolarHBondContact CZ2-O 3.27Å; W458-H799 AromaticContact CZ3-CD2 3.66Å; W599-H799 PolarHBondContact NE1-O 3.36Å; I601-H799 HydrophobicContact CD1-CB 4.31Å; Y795-H799 AromaticContact CD1-CE1 3.97Å; Y795-H799 AromaticContact CD2-CE1 3.95Å; Y795-H799 AromaticContact CE1-CE1 3.76Å; Y795-H799 AromaticContact CE2-CE1 3.7Å; Y795-H799 AromaticContact CZ-CE1 3.62Å; Y795-H799 PolarHBondContact O-CE1 3.26Å; Y795-H799 VanDerWaalsContact O-CE1 3.3Å; Y795-H799 PolarHBondContact O-ND1 2.9Å; K796-H799 WeakPolarHBondContact O-CB 3.49Å; K796-H799 PolarHBondContact O-N 3.46Å; K796-H799 PolarHBondContact O-ND1 2.94Å; M797-H799 VanDerWaalsContact C-N 3.25Å; M797-H799 PolarHBondContact O-N 2.92Å; H799-T807 VanDerWaalsContact CE1-CG2 3.5Å; H799-T807 WeakPolarHBondContact CE1-CG2 3.4Å; H799-T807 VanDerWaalsContact NE2-CG2 3.33Å; H799-T807 WeakPolarHBondContact NE2-CG2 3.3Å
800	L	98.2	Very high	97	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	7%	0.071	C	C	.	.			trans	-103.7	21.3	-165.3	-63.1	176.3	0	0	0	115.2	M600 I601 L635 M797 A812 Y816	M600-L800 HydrophobicContact CE-CD2 4.2Å; M600-L800 HydrophobicContact SD-CD1 4.05Å; M600-L800 HydrophobicContact SD-CD2 3.58Å; M600-L800 VanDerWaalsContact SD-CD2 3.58Å; M600-L800 HydrophobicContact SD-CG 4.49Å; I601-L800 HydrophobicContact CB-CD2 4.01Å; I601-L800 HydrophobicContact CB-CG 4.5Å; I601-L800 HydrophobicContact CG2-CD1 3.86Å; I601-L800 HydrophobicContact CG2-CD2 3.95Å; I601-L800 HydrophobicContact CG2-CG 4.1Å; L635-L800 HydrophobicContact CD1-CD1 3.69Å; M797-L800 HydrophobicContact CE-CD1 3.79Å; M797-L800 HydrophobicContact SD-CD1 4.02Å; L800-A812 HydrophobicContact CB-CB 3.74Å; L800-A812 WeakPolarHBondContact O-CB 3.25Å; L800-Y816 WeakPolarHBondContact O-CE2 3.17Å; L800-Y816 PolarHBondContact O-OH 3.08Å
801	Y	98.2	Very high	97.1	Very high	19 Å²	19	16.5 Å²	16.5	8%	0.075	7%	0.071	C	C	.	.			trans	-96.5	96.6	179	-179.4	-108.2	0	0	0	111.5	N803 W804 T808 Q815 Y816 L843	Y801-N803 HydrophobicContact CD1-CB 4.17Å; Y801-N803 HydrophobicContact CE1-CB 3.46Å; Y801-N803 VanDerWaalsContact CE1-CB 3.46Å; Y801-N803 HydrophobicContact CE2-CB 4.41Å; Y801-N803 PolarHBondContact O-N 2.85Å; Y801-W804 HydrophobicContact CD1-CB 3.87Å; Y801-W804 HydrophobicContact CE1-CB 4.35Å; Y801-W804 PolarHBondContact O-N 2.82Å; Y801-T808 HydrophobicContact CD1-CG2 3.57Å; Y801-T808 HydrophobicContact CG-CG2 3.91Å; Y801-Q815 HydrophobicContact CD1-CG 3.96Å; Y801-Q815 HydrophobicContact CD2-CB 3.83Å; Y801-Q815 HydrophobicContact CD2-CG 3.61Å; Y801-Q815 HydrophobicContact CE1-CG 3.87Å; Y801-Q815 HydrophobicContact CE2-CB 4.1Å; Y801-Q815 HydrophobicContact CE2-CG 3.54Å; Y801-Q815 HydrophobicContact CG-CB 4.21Å; Y801-Q815 HydrophobicContact CG-CG 3.83Å; Y801-Y816 WeakPolarHBondContact CA-OH 3.46Å; Y801-Y816 AromaticContact CD2-CD1 3.6Å; Y801-Y816 HydrophobicContact CD2-CD1 3.6Å; Y801-Y816 AromaticContact CD2-CE1 3.43Å; Y801-Y816 HydrophobicContact CD2-CE1 3.43Å; Y801-Y816 VanDerWaalsContact CD2-CE1 3.43Å; Y801-Y816 HydrophobicContact CD2-CE2 4.42Å; Y801-Y816 HydrophobicContact CD2-CG 4.17Å; Y801-Y816 AromaticContact CD2-CZ 3.88Å; Y801-Y816 AromaticContact CE2-CD1 3.6Å; Y801-Y816 HydrophobicContact CE2-CD1 3.6Å; Y801-Y816 AromaticContact CE2-CE1 3.7Å; Y801-Y816 HydrophobicContact CE2-CE1 3.7Å; Y801-Y816 HydrophobicContact CE2-CG 4.4Å; Y801-Y816 HydrophobicContact CG-CE1 4.48Å; Y801-L843 HydrophobicContact CE2-CD2 4.05Å
802	Y	97.9	Very high	97.1	Very high	3 Å²	3	16.5 Å²	16.5	1%	0.012	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-14.4	-164	-54.1	-39.1	0	0	0	116.2	I588 C592 T597 P598 W599 M600 Y641 W804 Y816 F840	I588-Y802 WeakPolarHBondContact CG2-O 3.32Å; C592-Y802 WeakPolarHBondContact SG-CB 3.4Å; T597-Y802 HydrophobicContact CG2-CE1 4.39Å; T597-Y802 HydrophobicContact CG2-CE2 4.14Å; T597-Y802 WeakPolarHBondContact CG2-OH 3.41Å; P598-Y802 HydrophobicContact CG-CD2 4.49Å; P598-Y802 HydrophobicContact CG-CG 4.16Å; W599-Y802 AromaticContact CD2-CD1 3.86Å; W599-Y802 HydrophobicContact CD2-CD1 3.86Å; W599-Y802 HydrophobicContact CD2-CE1 4.24Å; W599-Y802 AromaticContact CE2-CD1 3.67Å; W599-Y802 HydrophobicContact CE3-CD1 4.13Å; W599-Y802 HydrophobicContact CG-CD1 4.46Å; W599-Y802 HydrophobicContact CG-CE1 4.38Å; W599-Y802 VanDerWaalsContact CH2-CA 3.49Å; W599-Y802 HydrophobicContact CH2-CD1 4.18Å; W599-Y802 WeakPolarHBondContact CH2-O 3.49Å; W599-Y802 AromaticContact CZ2-CD1 3.87Å; W599-Y802 HydrophobicContact CZ2-CD1 3.87Å; W599-Y802 HydrophobicContact CZ3-CD1 4.28Å; W599-Y802 VanDerWaalsContact O-CE1 3.25Å; W599-Y802 WeakPolarHBondContact O-CE1 3.44Å; W599-Y802 PolarHBondContact O-OH 3.11Å; M600-Y802 VanDerWaalsContact CE-OH 3.24Å; M600-Y802 WeakPolarHBondContact CE-OH 3.38Å; Y641-Y802 HydrophobicContact CE2-CE2 4.3Å; Y802-W804 PolarHBondContact O-N 3.03Å; Y802-Y816 WeakPolarHBondContact CD2-OH 3.47Å; Y802-Y816 VanDerWaalsContact CG-OH 3.25Å; Y802-Y816 PolarHBondContact N-OH 3.24Å; Y802-F840 HydrophobicContact CD2-CD2 4.44Å; Y802-F840 AromaticContact CD2-CE2 3.79Å; Y802-F840 HydrophobicContact CD2-CE2 3.79Å; Y802-F840 AromaticContact CD2-CZ 3.82Å; Y802-F840 HydrophobicContact CD2-CZ 3.82Å; Y802-F840 AromaticContact CE2-CE2 3.69Å; Y802-F840 HydrophobicContact CE2-CE2 3.69Å; Y802-F840 AromaticContact CE2-CZ 3.61Å; Y802-F840 HydrophobicContact CE2-CZ 3.61Å
803	N	95.7	Very high	97.2	Very high	50 Å²	50	13.3 Å²	13.3	27%	0.267	6%	0.058	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-5	170.7	-98.5	9.4	0	0	0	113.5	Q589 Y801 L843	Q589-N803 PolarHBondContact NE2-ND2 2.96Å; Q589-N803 PolarHBondContact NE2-OD1 2.77Å; Y801-N803 HydrophobicContact CD1-CB 4.17Å; Y801-N803 HydrophobicContact CE1-CB 3.46Å; Y801-N803 VanDerWaalsContact CE1-CB 3.46Å; Y801-N803 HydrophobicContact CE2-CB 4.41Å; Y801-N803 PolarHBondContact O-N 2.85Å; N803-L843 HydrophobicContact CB-CD2 4.41Å; N803-L843 PolarHBondContact ND2-O 2.97Å
804	W	95.4	Very high	97.2	Very high	110 Å²	110	13 Å²	13	42%	0.417	6%	0.056	S	C	.	.	S	Bend	trans	-139.9	114.9	179.8	-173.7	-104.5	0	0	0	110.4	W599 Y801 Y802 G806 T807 T808	W599-W804 WeakPolarHBondContact CH2-O 3.24Å; W599-W804 WeakPolarHBondContact CZ2-O 3.48Å; Y801-W804 HydrophobicContact CD1-CB 3.87Å; Y801-W804 HydrophobicContact CE1-CB 4.35Å; Y801-W804 PolarHBondContact O-N 2.82Å; Y802-W804 PolarHBondContact O-N 3.03Å; W804-G806 VanDerWaalsContact CD1-C 3.48Å; W804-G806 VanDerWaalsContact CD1-O 3.29Å; W804-G806 PolarHBondContact O-N 3.12Å; W804-T807 PolarHBondContact NE1-O 3.15Å; W804-T808 HydrophobicContact CB-CG2 4.28Å; W804-T808 HydrophobicContact CG-CG2 4.47Å
805	S	93.4	Very high	97.2	Very high	9 Å²	9	15 Å²	15	6%	0.063	7%	0.066	C	C	.	.	S	Bend	trans	-77.8	52.9	179.9	54.4	0	0	0	0	112.5	W458 Q459	W458-S805 PolarHBondContact N-O 2.87Å; Q459-S805 VanDerWaalsContact CB-OG 3.24Å; Q459-S805 WeakPolarHBondContact CB-OG 3.31Å; Q459-S805 WeakPolarHBondContact CG-OG 3.48Å
806	G	95.8	Very high	97.2	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	6%	0.064	C	C	.	.	B	Isolated β-bridge	trans	-174.3	-178.2	-175.1	0	0	0	0	0	110.2	A456 W458 W804	A456-G806 CarbonylContact O-C 3.57Å; A456-G806 WeakPolarHBondContact O-CA 3.36Å; W458-G806 VanDerWaalsContact CH2-O 3.28Å; W458-G806 WeakPolarHBondContact CH2-O 3.31Å; W458-G806 VanDerWaalsContact CZ3-C 3.46Å; W804-G806 VanDerWaalsContact CD1-C 3.48Å; W804-G806 VanDerWaalsContact CD1-O 3.29Å; W804-G806 PolarHBondContact O-N 3.12Å
807	T	96.9	Very high	97.2	Very high	1 Å²	1	13.7 Å²	13.7	1%	0.006	6%	0.06	C	C	.	.			trans	-72.3	142.8	175.2	46.3	0	0	0	0	113.2	A456 S763 Q764 Y795 C798 H799 W804	A456-T807 HydrophobicContact CB-CG2 3.77Å; A456-T807 WeakPolarHBondContact CB-OG1 3.19Å; A456-T807 PolarHBondContact O-N 3.29Å; S763-T807 WeakPolarHBondContact O-CB 3.48Å; S763-T807 PolarHBondContact O-OG1 3.15Å; Q764-T807 PolarHBondContact NE2-O 3.18Å; Y795-T807 HydrophobicContact CE2-CG2 4.05Å; C798-T807 WeakPolarHBondContact O-CA 3.47Å; H799-T807 VanDerWaalsContact CE1-CG2 3.5Å; H799-T807 WeakPolarHBondContact CE1-CG2 3.4Å; H799-T807 VanDerWaalsContact NE2-CG2 3.33Å; H799-T807 WeakPolarHBondContact NE2-CG2 3.3Å; W804-T807 PolarHBondContact NE1-O 3.15Å
808	T	96.5	Very high	97.1	Very high	7 Å²	7	17 Å²	17	4%	0.043	7%	0.074	C	C	.	.			trans	-100.6	150.8	171.1	50.6	0	0	0	0	112.8	S763 C798 Y801 W804 V810	S763-T808 WeakPolarHBondContact CB-O 3.32Å; S763-T808 PolarHBondContact OG-O 3.29Å; C798-T808 WeakPolarHBondContact CB-O 3.27Å; C798-T808 PolarHBondContact O-N 2.82Å; C798-T808 PolarHBondContact O-OG1 2.87Å; Y801-T808 HydrophobicContact CD1-CG2 3.57Å; Y801-T808 HydrophobicContact CG-CG2 3.91Å; W804-T808 HydrophobicContact CB-CG2 4.28Å; W804-T808 HydrophobicContact CG-CG2 4.47Å; T808-V810 PolarHBondContact O-N 3.45Å; T808-V810 VanDerWaalsContact O-N 3.12Å; T808-V810 PolarHBondContact OG1-O 2.94Å
809	R	94.8	Very high	97.1	Very high	45 Å²	45	19.5 Å²	19.5	17%	0.17	9%	0.085	C	C	.	.	S	Bend	trans	-57.8	-24.8	-179.5	-179.5	169.8	-178.8	-166.4	1.9	114.8	S729 S763 Q764 S772 P773 T774	S729-R809 PolarHBondContact O-NH2 3.07Å; S763-R809 VanDerWaalsContact OG-CA 3.29Å; S763-R809 WeakPolarHBondContact OG-CA 3.46Å; S763-R809 PolarHBondContact OG-O 3.3Å; Q764-R809 HydrophobicContact CB-CB 4.3Å; S772-R809 VanDerWaalsContact O-CZ 3.24Å; S772-R809 PolarHBondContact O-NE 3.4Å; S772-R809 PolarHBondContact O-NH2 3.42Å; P773-R809 PolarHBondContact O-NH2 2.65Å; T774-R809 WeakPolarHBondContact CB-O 3.06Å; T774-R809 WeakPolarHBondContact OG1-CG 3.43Å; T774-R809 PolarHBondContact OG1-NE 3.44Å; T774-R809 PolarHBondContact OG1-O 2.88Å
810	V	96.9	Very high	97	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.085	C	C	.	.	S	Bend	trans	-128.8	164.6	177.6	-60.7	0	0	0	0	109.2	V726 R728 T774 T808 C814 Q815	V726-V810 HydrophobicContact CG1-CB 4.21Å; V726-V810 HydrophobicContact CG1-CG1 3.81Å; R728-V810 HydrophobicContact CG-CG1 4.26Å; T774-V810 HydrophobicContact CG2-CG1 4.23Å; T808-V810 PolarHBondContact O-N 3.45Å; T808-V810 VanDerWaalsContact O-N 3.12Å; T808-V810 PolarHBondContact OG1-O 2.94Å; V810-C814 HydrophobicContact CB-CB 4.21Å; V810-C814 HydrophobicContact CG2-CB 3.89Å; V810-Q815 HydrophobicContact CG2-CB 3.99Å
811	P	98.4	Very high	96.9	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.085	C	C	.	.			trans	-56.2	146.3	174.2	-26.5	37.8	0	0	0	111.3	Y683 Y776 T794 M797 V813 C814 Q815	Y683-P811 HydrophobicContact CD1-CG 3.86Å; Y683-P811 HydrophobicContact CD2-CB 4.06Å; Y683-P811 HydrophobicContact CD2-CG 4.15Å; Y683-P811 HydrophobicContact CE1-CG 3.87Å; Y683-P811 HydrophobicContact CE2-CB 4.16Å; Y683-P811 HydrophobicContact CE2-CG 4.17Å; Y683-P811 HydrophobicContact CG-CB 4.31Å; Y683-P811 HydrophobicContact CG-CG 4Å; Y776-P811 HydrophobicContact CE1-CG 3.9Å; T794-P811 HydrophobicContact CG2-CG 4.31Å; M797-P811 HydrophobicContact CB-CB 3.96Å; P811-V813 VanDerWaalsContact C-N 3.26Å; P811-V813 HydrophobicContact CB-CG2 4.34Å; P811-V813 PolarHBondContact O-N 3.26Å; P811-C814 WeakPolarHBondContact O-CB 3.47Å; P811-C814 PolarHBondContact O-N 2.91Å; P811-Q815 PolarHBondContact O-N 3.3Å
812	A	98.3	Very high	96.8	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-55.2	-40.9	-172.9	0	0	0	0	0	112.7	M797 L800 C814 Q815 Y816	M797-A812 WeakPolarHBondContact O-CB 3.33Å; M797-A812 PolarHBondContact O-N 3.04Å; L800-A812 HydrophobicContact CB-CB 3.74Å; L800-A812 WeakPolarHBondContact O-CB 3.25Å; A812-C814 VanDerWaalsContact C-N 3.32Å; A812-C814 PolarHBondContact O-N 3.4Å; A812-Q815 CarbonylContact O-C 3.54Å; A812-Q815 PolarHBondContact O-N 2.99Å; A812-Y816 HydrophobicContact CB-CD2 4.21Å; A812-Y816 HydrophobicContact CB-CE2 3.85Å; A812-Y816 WeakPolarHBondContact O-CB 3.39Å; A812-Y816 WeakPolarHBondContact O-CD2 3.38Å; A812-Y816 PolarHBondContact O-N 3.47Å
813	V	98.4	Very high	96.7	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-59.1	-37.7	177.1	-65.6	0	0	0	0	113.3	T610 I630 Y641 Y683 P811 A817	T610-V813 HydrophobicContact CG2-CG1 4.38Å; T610-V813 HydrophobicContact CG2-CG2 3.99Å; I630-V813 HydrophobicContact CG2-CG1 4.43Å; Y641-V813 HydrophobicContact CD1-CG1 4.22Å; Y641-V813 HydrophobicContact CE1-CG1 3.76Å; Y683-V813 HydrophobicContact CD2-CG2 4.01Å; P811-V813 VanDerWaalsContact C-N 3.26Å; P811-V813 HydrophobicContact CB-CG2 4.34Å; P811-V813 PolarHBondContact O-N 3.26Å; V813-A817 VanDerWaalsContact O-CB 3.29Å; V813-A817 WeakPolarHBondContact O-CB 3.32Å; V813-A817 PolarHBondContact O-N 3.21Å
814	C	97.8	Very high	96.8	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-68.3	-41.1	173.5	-59.3	0	0	0	0	111.2	Y683 D685 V810 P811 A812 A817 K818	Y683-C814 WeakPolarHBondContact CB-SG 3.38Å; D685-C814 HydrophobicContact CB-CB 4.26Å; V810-C814 HydrophobicContact CB-CB 4.21Å; V810-C814 HydrophobicContact CG2-CB 3.89Å; P811-C814 WeakPolarHBondContact O-CB 3.47Å; P811-C814 PolarHBondContact O-N 2.91Å; A812-C814 VanDerWaalsContact C-N 3.32Å; A812-C814 PolarHBondContact O-N 3.4Å; C814-A817 PolarHBondContact O-N 3.19Å; C814-K818 VanDerWaalsContact O-CB 3.28Å; C814-K818 WeakPolarHBondContact O-CB 3.07Å; C814-K818 PolarHBondContact O-N 3.47Å
815	Q	97.8	Very high	96.7	Very high	44 Å²	44	14 Å²	14	21%	0.206	7%	0.067	C	C	.	.	H	α-helix	trans	-69	-35	-179.8	-169.2	59	42.9	0	0	111.9	Y801 V810 P811 A812 K819	Y801-Q815 HydrophobicContact CD1-CG 3.96Å; Y801-Q815 HydrophobicContact CD2-CB 3.83Å; Y801-Q815 HydrophobicContact CD2-CG 3.61Å; Y801-Q815 HydrophobicContact CE1-CG 3.87Å; Y801-Q815 HydrophobicContact CE2-CB 4.1Å; Y801-Q815 HydrophobicContact CE2-CG 3.54Å; Y801-Q815 HydrophobicContact CG-CB 4.21Å; Y801-Q815 HydrophobicContact CG-CG 3.83Å; V810-Q815 HydrophobicContact CG2-CB 3.99Å; P811-Q815 PolarHBondContact O-N 3.3Å; A812-Q815 CarbonylContact O-C 3.54Å; A812-Q815 PolarHBondContact O-N 2.99Å; Q815-K819 WeakPolarHBondContact O-CB 3.17Å; Q815-K819 PolarHBondContact O-N 3.38Å; Q815-K819 VanDerWaalsContact O-N 3.07Å
816	Y	98.6	Very high	96.6	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-66	-48.8	170	-69.6	-50.5	0	0	0	111.6	I630 Y641 L800 Y801 Y802 A812 K818 K819 L820 F840 Y842 L843	I630-Y816 HydrophobicContact CG2-CD2 4.43Å; Y641-Y816 HydrophobicContact CE1-CE2 4.46Å; L800-Y816 WeakPolarHBondContact O-CE2 3.17Å; L800-Y816 PolarHBondContact O-OH 3.08Å; Y801-Y816 WeakPolarHBondContact CA-OH 3.46Å; Y801-Y816 AromaticContact CD2-CD1 3.6Å; Y801-Y816 HydrophobicContact CD2-CD1 3.6Å; Y801-Y816 AromaticContact CD2-CE1 3.43Å; Y801-Y816 HydrophobicContact CD2-CE1 3.43Å; Y801-Y816 VanDerWaalsContact CD2-CE1 3.43Å; Y801-Y816 HydrophobicContact CD2-CE2 4.42Å; Y801-Y816 HydrophobicContact CD2-CG 4.17Å; Y801-Y816 AromaticContact CD2-CZ 3.88Å; Y801-Y816 AromaticContact CE2-CD1 3.6Å; Y801-Y816 HydrophobicContact CE2-CD1 3.6Å; Y801-Y816 AromaticContact CE2-CE1 3.7Å; Y801-Y816 HydrophobicContact CE2-CE1 3.7Å; Y801-Y816 HydrophobicContact CE2-CG 4.4Å; Y801-Y816 HydrophobicContact CG-CE1 4.48Å; Y802-Y816 WeakPolarHBondContact CD2-OH 3.47Å; Y802-Y816 VanDerWaalsContact CG-OH 3.25Å; Y802-Y816 PolarHBondContact N-OH 3.24Å; A812-Y816 HydrophobicContact CB-CD2 4.21Å; A812-Y816 HydrophobicContact CB-CE2 3.85Å; A812-Y816 WeakPolarHBondContact O-CB 3.39Å; A812-Y816 WeakPolarHBondContact O-CD2 3.38Å; A812-Y816 PolarHBondContact O-N 3.47Å; Y816-K818 VanDerWaalsContact C-N 3.33Å; Y816-K818 PolarHBondContact O-N 3.47Å; Y816-K819 PolarHBondContact O-N 2.7Å; Y816-K819 VanDerWaalsContact O-N 3.13Å; Y816-L820 WeakPolarHBondContact O-CB 3.32Å; Y816-L820 PolarHBondContact O-N 2.81Å; Y816-F840 HydrophobicContact CD1-CD1 4.02Å; Y816-F840 AromaticContact CD1-CE1 3.93Å; Y816-F840 HydrophobicContact CD1-CE1 3.93Å; Y816-F840 HydrophobicContact CD2-CE1 4.06Å; Y816-F840 AromaticContact CE1-CD1 3.73Å; Y816-F840 HydrophobicContact CE1-CD1 3.73Å; Y816-F840 AromaticContact CE1-CE1 3.52Å; Y816-F840 HydrophobicContact CE1-CE1 3.52Å; Y816-F840 HydrophobicContact CE1-CZ 4.44Å; Y816-F840 AromaticContact CE2-CE1 3.69Å; Y816-F840 HydrophobicContact CE2-CE1 3.69Å; Y816-F840 HydrophobicContact CE2-CZ 4.23Å; Y816-F840 HydrophobicContact CG-CE1 4.2Å; Y816-F840 AromaticContact CZ-CE1 3.39Å; Y816-F840 AromaticContact CZ-CZ 3.96Å; Y816-Y842 AromaticContact CD1-CE2 3.96Å; Y816-Y842 HydrophobicContact CD1-CE2 3.96Å; Y816-Y842 HydrophobicContact CG-CE2 4.38Å; Y816-L843 HydrophobicContact CD1-CD2 3.91Å; Y816-L843 HydrophobicContact CE1-CD1 4.23Å; Y816-L843 HydrophobicContact CE1-CD2 3.91Å
817	A	97.3	Very high	96.6	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-56.1	-49	177.4	0	0	0	0	0	110.8	D614 A628 I630 V813 C814 K819 L820 A821	D614-A817 HydrophobicContact CB-CB 4.03Å; A628-A817 WeakPolarHBondContact CB-O 3.5Å; A628-A817 WeakPolarHBondContact O-CB 3.36Å; I630-A817 HydrophobicContact CG1-CB 3.89Å; I630-A817 VanDerWaalsContact CG1-N 3.34Å; V813-A817 VanDerWaalsContact O-CB 3.29Å; V813-A817 WeakPolarHBondContact O-CB 3.32Å; V813-A817 PolarHBondContact O-N 3.21Å; C814-A817 PolarHBondContact O-N 3.19Å; A817-K819 PolarHBondContact O-N 2.89Å; A817-L820 PolarHBondContact O-N 3.48Å; A817-A821 WeakPolarHBondContact O-CB 3.28Å; A817-A821 PolarHBondContact O-N 3.34Å
818	K	96.1	Very high	96.6	Very high	69 Å²	69	17.1 Å²	17.1	30%	0.3	9%	0.086	S	C	.	.	H	α-helix	trans	-56	-46.8	174.8	-175.2	164.1	-173.8	173.1	0	113	D614 C814 Y816 T822	D614-K818 HydrophobicContact CB-CB 4.3Å; D614-K818 WeakPolarHBondContact OD2-CA 3.18Å; D614-K818 WeakPolarHBondContact OD2-CB 3.29Å; D614-K818 WeakPolarHBondContact OD2-CD 3.41Å; D614-K818 WeakPolarHBondContact OD2-CG 3.43Å; C814-K818 VanDerWaalsContact O-CB 3.28Å; C814-K818 WeakPolarHBondContact O-CB 3.07Å; C814-K818 PolarHBondContact O-N 3.47Å; Y816-K818 VanDerWaalsContact C-N 3.33Å; Y816-K818 PolarHBondContact O-N 3.47Å; K818-T822 WeakPolarHBondContact O-CB 3.49Å; K818-T822 PolarHBondContact O-N 2.96Å; K818-T822 PolarHBondContact O-OG1 3.09Å
819	K	97.7	Very high	96.5	Very high	53 Å²	53	18.9 Å²	18.9	23%	0.23	9%	0.093	C	C	.	.	H	α-helix	trans	-63.6	-42.4	-179.1	-175.6	61.2	159.9	69.2	0	111.1	Q815 Y816 A817 L823 Y842 L843	Q815-K819 WeakPolarHBondContact O-CB 3.17Å; Q815-K819 PolarHBondContact O-N 3.38Å; Q815-K819 VanDerWaalsContact O-N 3.07Å; Y816-K819 PolarHBondContact O-N 2.7Å; Y816-K819 VanDerWaalsContact O-N 3.13Å; A817-K819 PolarHBondContact O-N 2.89Å; K819-L823 WeakPolarHBondContact O-CB 2.96Å; K819-L823 PolarHBondContact O-N 2.59Å; K819-Y842 HydrophobicContact CB-CD2 4.3Å; K819-Y842 HydrophobicContact CG-CD2 4.17Å; K819-Y842 WeakPolarHBondContact CG-O 3.3Å; K819-Y842 PolarHBondContact NZ-O 3.14Å; K819-L843 VanDerWaalsContact CE-O 3.31Å; K819-L843 WeakPolarHBondContact CE-O 3.3Å; K819-L843 HydrophobicContact CG-CD2 4.33Å; K819-L843 VanDerWaalsContact NZ-C 3.34Å; K819-L843 PolarHBondContact NZ-O 2.87Å
820	L	98.1	Very high	96.5	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-68.6	-51.9	177.7	177.4	53.3	0	0	0	112.1	A628 I630 V645 Y816 A817 T822 L823 V824 Y841 Y842	A628-L820 HydrophobicContact CB-CB 4.05Å; A628-L820 HydrophobicContact CB-CD2 4.09Å; A628-L820 HydrophobicContact CB-CG 3.88Å; I630-L820 HydrophobicContact CD1-CD2 3.74Å; V645-L820 HydrophobicContact CG2-CD1 3.75Å; V645-L820 HydrophobicContact CG2-CD2 3.51Å; V645-L820 HydrophobicContact CG2-CG 3.45Å; V645-L820 VanDerWaalsContact CG2-CG 3.45Å; Y816-L820 WeakPolarHBondContact O-CB 3.32Å; Y816-L820 PolarHBondContact O-N 2.81Å; A817-L820 PolarHBondContact O-N 3.48Å; L820-T822 VanDerWaalsContact C-N 3.31Å; L820-T822 PolarHBondContact O-N 3.09Å; L820-L823 PolarHBondContact O-N 3.2Å; L820-V824 HydrophobicContact CD1-CG2 4.16Å; L820-V824 WeakPolarHBondContact O-CG2 3.39Å; L820-V824 PolarHBondContact O-N 3.22Å; L820-Y841 HydrophobicContact CD1-CE2 4.07Å; L820-Y841 WeakPolarHBondContact CD1-OH 3.45Å; L820-Y842 HydrophobicContact CB-CD1 4.22Å; L820-Y842 HydrophobicContact CB-CD2 3.85Å; L820-Y842 HydrophobicContact CB-CE2 4.24Å; L820-Y842 HydrophobicContact CB-CG 3.83Å; L820-Y842 HydrophobicContact CD1-CD1 3.9Å; L820-Y842 HydrophobicContact CD1-CG 3.9Å; L820-Y842 HydrophobicContact CD2-CD1 4.1Å; L820-Y842 HydrophobicContact CD2-CE1 4.18Å; L820-Y842 HydrophobicContact CG-CD1 4.3Å; L820-Y842 HydrophobicContact CG-CG 4.29Å
821	A	95.3	Very high	96.4	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-56.4	-45.3	176.4	0	0	0	0	0	111.5	A616 A628 A817 L823 V824 G825	A616-A821 VanDerWaalsContact CB-C 3.46Å; A616-A821 HydrophobicContact CB-CB 3.77Å; A616-A821 WeakPolarHBondContact CB-O 3.46Å; A628-A821 HydrophobicContact CB-CB 3.75Å; A817-A821 WeakPolarHBondContact O-CB 3.28Å; A817-A821 PolarHBondContact O-N 3.34Å; A821-L823 PolarHBondContact O-N 3.48Å; A821-V824 PolarHBondContact O-N 2.83Å; A821-G825 PolarHBondContact O-N 3.35Å
822	T	95.1	Very high	96.4	Very high	59 Å²	59	22.5 Å²	22.5	36%	0.362	12%	0.118	S	C	.	.	H	α-helix	trans	-62.4	-44.1	178.4	-56.1	0	0	0	0	111.6	K818 L820 V824 G825 T826	K818-T822 WeakPolarHBondContact O-CB 3.49Å; K818-T822 PolarHBondContact O-N 2.96Å; K818-T822 PolarHBondContact O-OG1 3.09Å; L820-T822 VanDerWaalsContact C-N 3.31Å; L820-T822 PolarHBondContact O-N 3.09Å; T822-V824 VanDerWaalsContact C-N 3.34Å; T822-V824 PolarHBondContact O-N 3.41Å; T822-G825 PolarHBondContact O-N 3.15Å; T822-T826 WeakPolarHBondContact O-CB 3.38Å; T822-T826 PolarHBondContact O-N 3.08Å; T822-T826 PolarHBondContact O-OG1 2.83Å
823	L	97.4	Very high	96.4	Very high	6 Å²	6	26.2 Å²	26.2	3%	0.031	14%	0.135	C	C	.	.	H	α-helix	trans	-59.9	-44.1	176.6	176.7	68.7	0	0	0	111.4	Y551 K555 Y559 K819 L820 A821 N827 L828	Y551-L823 HydrophobicContact CE1-CD1 4.23Å; K555-L823 HydrophobicContact CG-CD1 4.4Å; Y559-L823 HydrophobicContact CD2-CD2 4.24Å; Y559-L823 HydrophobicContact CE2-CD2 4.02Å; K819-L823 WeakPolarHBondContact O-CB 2.96Å; K819-L823 PolarHBondContact O-N 2.59Å; L820-L823 PolarHBondContact O-N 3.2Å; A821-L823 PolarHBondContact O-N 3.48Å; L823-N827 HydrophobicContact CD1-CB 4.11Å; L823-N827 WeakPolarHBondContact O-CB 3.34Å; L823-N827 PolarHBondContact O-N 3.28Å; L823-L828 HydrophobicContact CD2-CD1 4.37Å; L823-L828 HydrophobicContact CG-CD1 4.21Å; L823-L828 HydrophobicContact CG-CG 4.22Å; L823-L828 PolarHBondContact O-N 2.99Å; L823-L828 VanDerWaalsContact O-N 3.16Å
824	V	97.2	Very high	96.2	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.16	C	C	.	.	I	π-helix	trans	-66.9	-49.4	179.1	179	0	0	0	0	111	Y626 V645 L820 A821 T822 T826 L828 H829 P832	Y626-V824 HydrophobicContact CD1-CG1 3.54Å; Y626-V824 HydrophobicContact CD2-CB 4.47Å; Y626-V824 HydrophobicContact CD2-CG1 3.79Å; Y626-V824 HydrophobicContact CE1-CG1 3.93Å; Y626-V824 HydrophobicContact CE2-CG1 4.13Å; Y626-V824 HydrophobicContact CG-CB 4.25Å; Y626-V824 HydrophobicContact CG-CG1 3.48Å; Y626-V824 VanDerWaalsContact CG-CG1 3.48Å; V645-V824 HydrophobicContact CG1-CB 4.42Å; V645-V824 HydrophobicContact CG1-CG1 4.26Å; V645-V824 HydrophobicContact CG1-CG2 4.14Å; V645-V824 HydrophobicContact CG2-CG2 4.2Å; L820-V824 HydrophobicContact CD1-CG2 4.16Å; L820-V824 WeakPolarHBondContact O-CG2 3.39Å; L820-V824 PolarHBondContact O-N 3.22Å; A821-V824 PolarHBondContact O-N 2.83Å; T822-V824 VanDerWaalsContact C-N 3.34Å; T822-V824 PolarHBondContact O-N 3.41Å; V824-T826 VanDerWaalsContact C-N 3.34Å; V824-T826 PolarHBondContact O-N 2.71Å; V824-L828 HydrophobicContact CG2-CD1 4.05Å; V824-L828 PolarHBondContact O-N 3.36Å; V824-H829 WeakPolarHBondContact O-CA 3.45Å; V824-H829 PolarHBondContact O-N 2.67Å; V824-P832 HydrophobicContact CG2-CG 4.11Å
825	G	93.1	Very high	96.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.19	C	C	.	.	I	π-helix	trans	-68.6	-25.8	-179.3	0	0	0	0	0	115.2	S618 T619 A821 T822 H829	S618-G825 CarbonylContact C-O 3.45Å; S618-G825 WeakPolarHBondContact CA-O 3.16Å; T619-G825 PolarHBondContact N-O 3.25Å; T619-G825 PolarHBondContact OG1-O 2.81Å; A821-G825 PolarHBondContact O-N 3.35Å; T822-G825 PolarHBondContact O-N 3.15Å; G825-H829 PolarHBondContact O-CE1 2.79Å; G825-H829 PolarHBondContact O-ND1 2.95Å
826	T	92.2	Very high	96.2	Very high	53 Å²	53	32.3 Å²	32.3	33%	0.325	18%	0.18	S	C	.	.	I	π-helix	trans	-102.4	-29.7	-174.4	-47.7	0	0	0	0	113.7	T619 T822 V824 H829	T619-T826 HydrophobicContact CG2-CG2 4.2Å; T822-T826 WeakPolarHBondContact O-CB 3.38Å; T822-T826 PolarHBondContact O-N 3.08Å; T822-T826 PolarHBondContact O-OG1 2.83Å; V824-T826 VanDerWaalsContact C-N 3.34Å; V824-T826 PolarHBondContact O-N 2.71Å; T826-H829 PolarHBondContact O-NE2 3.19Å
827	N	94.9	Very high	96.1	Very high	24 Å²	24	33.8 Å²	33.8	13%	0.128	19%	0.187	C	C	.	.	I	π-helix	trans	-130.4	-38.7	-167.8	-56.9	111.1	0	0	0	114.6	Y551 S552 L823	Y551-N827 HydrophobicContact CE1-CB 4.33Å; S552-N827 WeakPolarHBondContact CB-O 3.36Å; S552-N827 PolarHBondContact OG-ND2 3.43Å; L823-N827 HydrophobicContact CD1-CB 4.11Å; L823-N827 WeakPolarHBondContact O-CB 3.34Å; L823-N827 PolarHBondContact O-N 3.28Å
828	L	96.3	Very high	96.1	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.198	C	C	.	.	I	π-helix	trans	-87.6	-42.4	-176.2	-52.9	-176.8	0	0	0	112.5	K555 K556 Y559 V560 L823 V824 S830 P832	K555-L828 VanDerWaalsContact C-CD2 3.42Å; K555-L828 HydrophobicContact CB-CD2 3.67Å; K555-L828 WeakPolarHBondContact O-CD2 3.39Å; K556-L828 HydrophobicContact CB-CD2 4.45Å; Y559-L828 HydrophobicContact CD2-CD1 4.34Å; Y559-L828 HydrophobicContact CD2-CD2 4.43Å; V560-L828 HydrophobicContact CG2-CB 4.14Å; V560-L828 HydrophobicContact CG2-CD1 4.33Å; V560-L828 HydrophobicContact CG2-CD2 4.45Å; L823-L828 HydrophobicContact CD2-CD1 4.37Å; L823-L828 HydrophobicContact CG-CD1 4.21Å; L823-L828 HydrophobicContact CG-CG 4.22Å; L823-L828 PolarHBondContact O-N 2.99Å; L823-L828 VanDerWaalsContact O-N 3.16Å; V824-L828 HydrophobicContact CG2-CD1 4.05Å; V824-L828 PolarHBondContact O-N 3.36Å; L828-S830 PolarHBondContact O-N 3.22Å; L828-S830 VanDerWaalsContact O-N 3.15Å; L828-P832 HydrophobicContact CD1-CG 3.79Å
829	H	94.4	Very high	96.1	Very high	43 Å²	43	36.2 Å²	36.2	20%	0.199	20%	0.198	C	C	.	.			trans	50.3	30.3	-172.3	-49	-61.7	0	0	0	113.7	S618 T619 V824 G825 T826	S618-H829 PolarHBondContact OG-ND1 2.66Å; T619-H829 PolarHBondContact OG1-CE1 2.78Å; T619-H829 VanDerWaalsContact OG1-CE1 3.3Å; V824-H829 WeakPolarHBondContact O-CA 3.45Å; V824-H829 PolarHBondContact O-N 2.67Å; G825-H829 PolarHBondContact O-CE1 2.79Å; G825-H829 PolarHBondContact O-ND1 2.95Å; T826-H829 PolarHBondContact O-NE2 3.19Å
830	S	94.6	Very high	96.1	Very high	35 Å²	35	33.9 Å²	33.9	25%	0.245	19%	0.188	C	C	.	.	S	Bend	trans	-164.2	152.6	-175.9	-60.5	0	0	0	0	108.5	L828	L828-S830 PolarHBondContact O-N 3.22Å; L828-S830 VanDerWaalsContact O-N 3.15Å
831	I	95.9	Very high	96.2	Very high	79 Å²	79	34.2 Å²	34.2	41%	0.405	19%	0.189	S	C	.	.	P	Polyproline II helix	trans	-71.8	132.6	-179.7	-56.6	178.5	0	0	0	109.4
832	P	97.5	Very high	96.3	Very high	7 Å²	7	34.4 Å²	34.4	5%	0.045	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-65.3	157.8	173.7	-21.8	34.4	0	0	0	113.2	Y559 V824 L828 Y841	Y559-P832 CarbonylContact O-C 3.55Å; Y559-P832 VanDerWaalsContact O-CA 3.27Å; Y559-P832 WeakPolarHBondContact O-CA 3.27Å; V824-P832 HydrophobicContact CG2-CG 4.11Å; L828-P832 HydrophobicContact CD1-CG 3.79Å; P832-Y841 HydrophobicContact CB-CE2 3.84Å; P832-Y841 HydrophobicContact CG-CE2 3.9Å; P832-Y841 WeakPolarHBondContact CG-OH 3.39Å
833	Q	97.8	Very high	96.4	Very high	78 Å²	78	32.1 Å²	32.1	36%	0.364	18%	0.175	S	C	.	.	P	Polyproline II helix	trans	-67.9	138.8	177.5	-62.2	-160.2	4.9	0	0	113.2	Y559 V560 D561 A563 A835 L836	Y559-Q833 PolarHBondContact O-N 3.06Å; V560-Q833 VanDerWaalsContact O-CG 3.3Å; V560-Q833 WeakPolarHBondContact O-CG 3.41Å; V560-Q833 PolarHBondContact O-NE2 2.93Å; D561-Q833 PolarHBondContact O-NE2 2.67Å; A563-Q833 HydrophobicContact CB-CB 4.13Å; Q833-A835 PolarHBondContact O-N 2.96Å; Q833-A835 VanDerWaalsContact O-N 3.13Å; Q833-L836 PolarHBondContact O-N 3.4Å; Q833-L836 VanDerWaalsContact O-N 3.1Å
834	N	95.9	Very high	96.3	Very high	96 Å²	96	33.4 Å²	33.4	51%	0.513	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-61.1	-24.4	-176	-62.4	2.4	0	0	0	113.8	L836 E837	N834-L836 PolarHBondContact O-N 3.37Å; N834-E837 HydrophobicContact CB-CG 4.3Å; N834-E837 WeakPolarHBondContact CB-OE1 3.5Å; N834-E837 VanDerWaalsContact O-CB 3.26Å; N834-E837 WeakPolarHBondContact O-CB 2.9Å; N834-E837 WeakPolarHBondContact O-CG 3.34Å; N834-E837 PolarHBondContact O-N 2.91Å
835	A	96.8	Very high	96.3	Very high	77 Å²	77	35.2 Å²	35.2	64%	0.636	19%	0.192	S	C	*	.	G	3₁₀ helix	trans	-61.5	-11.1	175.9	0	0	0	0	0	114.1	A563 Q833	A563-A835 HydrophobicContact CB-CB 3.88Å; Q833-A835 PolarHBondContact O-N 2.96Å; Q833-A835 VanDerWaalsContact O-N 3.13Å
836	L	97.2	Very high	96.4	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-95.5	-3.1	174.8	-64.2	176.7	0	0	0	114	Y559 A563 P565 Q833 N834 K838 K839 Y841	Y559-L836 HydrophobicContact CD1-CD1 3.94Å; Y559-L836 HydrophobicContact CG-CD1 4.2Å; A563-L836 HydrophobicContact CB-CG 4.27Å; A563-L836 WeakPolarHBondContact O-CD2 3.48Å; P565-L836 HydrophobicContact CG-CD2 4.07Å; Q833-L836 PolarHBondContact O-N 3.4Å; Q833-L836 VanDerWaalsContact O-N 3.1Å; N834-L836 PolarHBondContact O-N 3.37Å; L836-K838 PolarHBondContact O-N 3.3Å; L836-K839 HydrophobicContact CD2-CD 4.25Å; L836-K839 PolarHBondContact O-N 3.33Å; L836-Y841 HydrophobicContact CB-CD1 3.52Å; L836-Y841 HydrophobicContact CB-CE1 3.7Å; L836-Y841 HydrophobicContact CB-CG 3.97Å; L836-Y841 HydrophobicContact CD1-CD1 4.38Å; L836-Y841 HydrophobicContact CD1-CD2 4Å; L836-Y841 HydrophobicContact CD1-CE2 4.42Å; L836-Y841 HydrophobicContact CD1-CG 3.97Å; L836-Y841 HydrophobicContact CG-CD1 4.44Å; L836-Y841 HydrophobicContact CG-CG 4.43Å; L836-Y841 WeakPolarHBondContact O-CD1 3.42Å; L836-Y841 WeakPolarHBondContact O-CE1 3.28Å
837	E	97.1	Very high	96.7	Very high	30 Å²	30	36.2 Å²	36.2	14%	0.14	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-32.3	-170.2	-79	170.9	166.6	0	0	114.5	F642 S643 K664 N834	F642-E837 CarbonylContact C-O 3.6Å; F642-E837 WeakPolarHBondContact CA-O 3.14Å; F642-E837 HydrophobicContact CD2-CB 3.87Å; F642-E837 HydrophobicContact CE2-CB 3.66Å; F642-E837 HydrophobicContact CE2-CG 3.91Å; F642-E837 WeakPolarHBondContact CE2-OE2 3.43Å; F642-E837 HydrophobicContact CZ-CB 4.49Å; F642-E837 HydrophobicContact CZ-CG 4.32Å; S643-E837 PolarHBondContact N-O 3.47Å; S643-E837 WeakPolarHBondContact O-CG 3.35Å; S643-E837 PolarHBondContact OG-O 2.85Å; K664-E837 WeakPolarHBondContact CE-OE1 3.37Å; K664-E837 IonicContact NZ-OE1 3.03Å; K664-E837 PolarHBondContact NZ-OE1 2.99Å; N834-E837 HydrophobicContact CB-CG 4.3Å; N834-E837 WeakPolarHBondContact CB-OE1 3.5Å; N834-E837 VanDerWaalsContact O-CB 3.26Å; N834-E837 WeakPolarHBondContact O-CB 2.9Å; N834-E837 WeakPolarHBondContact O-CG 3.34Å; N834-E837 PolarHBondContact O-N 2.91Å
838	K	96.9	Very high	96.8	Very high	54 Å²	54	36.9 Å²	36.9	24%	0.235	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	3.5	179.7	-70.6	-64.3	-52.5	-162.3	0	115.2	T640 Y641 F642 Q668 E672 L836	T640-K838 PolarHBondContact OG1-NZ 3.17Å; Y641-K838 WeakPolarHBondContact O-CE 3.36Å; F642-K838 HydrophobicContact CB-CD 4.49Å; Q668-K838 HydrophobicContact CG-CD 4.15Å; E672-K838 WeakPolarHBondContact OE1-CD 3.31Å; E672-K838 VanDerWaalsContact OE1-CE 3.25Å; E672-K838 WeakPolarHBondContact OE1-CE 3.27Å; E672-K838 IonicContact OE1-NZ 3.02Å; E672-K838 PolarHBondContact OE1-NZ 3.17Å; E672-K838 IonicContact OE2-NZ 2.78Å; E672-K838 PolarHBondContact OE2-NZ 2.69Å; L836-K838 PolarHBondContact O-N 3.3Å
839	K	97.6	Very high	96.8	Very high	66 Å²	66	39.4 Å²	39.4	29%	0.287	21%	0.213	S	C	.	.	S	Bend	trans	-115.1	151.6	-175.5	-66.9	176	179.1	172.8	0	111.4	P565 L836 Y841	P565-K839 HydrophobicContact CG-CD 3.98Å; L836-K839 HydrophobicContact CD2-CD 4.25Å; L836-K839 PolarHBondContact O-N 3.33Å; K839-Y841 VanDerWaalsContact O-CD1 3.23Å; K839-Y841 WeakPolarHBondContact O-CD1 3.4Å; K839-Y841 PolarHBondContact O-N 2.99Å
840	F	98.1	Very high	97	Very high	5 Å²	5	39.1 Å²	39.1	2%	0.022	21%	0.214	C	C	.	.			trans	-84.7	45.5	171.8	-65.3	-79.8	0	0	0	112.5	C592 K593 Y641 Y802 Y816 Y842 L843	C592-F840 HydrophobicContact CB-CB 3.8Å; C592-F840 HydrophobicContact CB-CD2 3.9Å; C592-F840 HydrophobicContact CB-CG 4.15Å; C592-F840 WeakPolarHBondContact O-CB 3.31Å; C592-F840 WeakPolarHBondContact O-CD2 3.46Å; C592-F840 PolarHBondContact O-N 3.21Å; K593-F840 WeakPolarHBondContact CG-O 3.31Å; Y641-F840 HydrophobicContact CD2-CE1 4.08Å; Y641-F840 HydrophobicContact CD2-CE2 4.15Å; Y641-F840 AromaticContact CD2-CZ 3.31Å; Y641-F840 HydrophobicContact CD2-CZ 3.31Å; Y641-F840 AromaticContact CE2-CZ 3.85Å; Y641-F840 HydrophobicContact CE2-CZ 3.85Å; Y641-F840 HydrophobicContact CG-CE1 4.24Å; Y641-F840 AromaticContact CG-CZ 3.9Å; Y641-F840 HydrophobicContact CG-CZ 3.9Å; Y802-F840 HydrophobicContact CD2-CD2 4.44Å; Y802-F840 AromaticContact CD2-CE2 3.79Å; Y802-F840 HydrophobicContact CD2-CE2 3.79Å; Y802-F840 AromaticContact CD2-CZ 3.82Å; Y802-F840 HydrophobicContact CD2-CZ 3.82Å; Y802-F840 AromaticContact CE2-CE2 3.69Å; Y802-F840 HydrophobicContact CE2-CE2 3.69Å; Y802-F840 AromaticContact CE2-CZ 3.61Å; Y802-F840 HydrophobicContact CE2-CZ 3.61Å; Y816-F840 HydrophobicContact CD1-CD1 4.02Å; Y816-F840 AromaticContact CD1-CE1 3.93Å; Y816-F840 HydrophobicContact CD1-CE1 3.93Å; Y816-F840 HydrophobicContact CD2-CE1 4.06Å; Y816-F840 AromaticContact CE1-CD1 3.73Å; Y816-F840 HydrophobicContact CE1-CD1 3.73Å; Y816-F840 AromaticContact CE1-CE1 3.52Å; Y816-F840 HydrophobicContact CE1-CE1 3.52Å; Y816-F840 HydrophobicContact CE1-CZ 4.44Å; Y816-F840 AromaticContact CE2-CE1 3.69Å; Y816-F840 HydrophobicContact CE2-CE1 3.69Å; Y816-F840 HydrophobicContact CE2-CZ 4.23Å; Y816-F840 HydrophobicContact CG-CE1 4.2Å; Y816-F840 AromaticContact CZ-CE1 3.39Å; Y816-F840 AromaticContact CZ-CZ 3.96Å; F840-Y842 AromaticContact CD1-CZ 3.97Å; F840-Y842 WeakPolarHBondContact CD1-OH 3.36Å; F840-Y842 PolarHBondContact O-N 3.35Å; F840-Y842 VanDerWaalsContact O-N 3.1Å; F840-L843 HydrophobicContact CB-CD1 3.64Å; F840-L843 HydrophobicContact CB-CG 3.9Å; F840-L843 HydrophobicContact CD1-CD1 4.26Å; F840-L843 HydrophobicContact CG-CD1 4.12Å; F840-L843 PolarHBondContact O-N 3.07Å
841	Y	98.3	Very high	97.2	Very high	7 Å²	7	39.5 Å²	39.5	3%	0.027	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-29.2	-175.2	64.3	-85.8	0	0	0	113.4	Y559 L820 P832 L836 K839 L843	Y559-Y841 HydrophobicContact CD1-CD2 4.36Å; Y559-Y841 AromaticContact CD2-CD2 3.73Å; Y559-Y841 HydrophobicContact CD2-CD2 3.73Å; Y559-Y841 HydrophobicContact CD2-CE2 4.26Å; Y559-Y841 AromaticContact CE2-CD2 3.85Å; Y559-Y841 HydrophobicContact CE2-CD2 3.85Å; Y559-Y841 WeakPolarHBondContact CE2-O 3.2Å; Y559-Y841 AromaticContact CG-CD2 3.99Å; Y559-Y841 HydrophobicContact CG-CD2 3.99Å; Y559-Y841 VanDerWaalsContact CZ-O 3.24Å; Y559-Y841 PolarHBondContact OH-O 2.85Å; L820-Y841 HydrophobicContact CD1-CE2 4.07Å; L820-Y841 WeakPolarHBondContact CD1-OH 3.45Å; P832-Y841 HydrophobicContact CB-CE2 3.84Å; P832-Y841 HydrophobicContact CG-CE2 3.9Å; P832-Y841 WeakPolarHBondContact CG-OH 3.39Å; L836-Y841 HydrophobicContact CB-CD1 3.52Å; L836-Y841 HydrophobicContact CB-CE1 3.7Å; L836-Y841 HydrophobicContact CB-CG 3.97Å; L836-Y841 HydrophobicContact CD1-CD1 4.38Å; L836-Y841 HydrophobicContact CD1-CD2 4Å; L836-Y841 HydrophobicContact CD1-CE2 4.42Å; L836-Y841 HydrophobicContact CD1-CG 3.97Å; L836-Y841 HydrophobicContact CG-CD1 4.44Å; L836-Y841 HydrophobicContact CG-CG 4.43Å; L836-Y841 WeakPolarHBondContact O-CD1 3.42Å; L836-Y841 WeakPolarHBondContact O-CE1 3.28Å; K839-Y841 VanDerWaalsContact O-CD1 3.23Å; K839-Y841 WeakPolarHBondContact O-CD1 3.4Å; K839-Y841 PolarHBondContact O-N 2.99Å; Y841-L843 VanDerWaalsContact C-N 3.34Å; Y841-L843 PolarHBondContact O-N 2.89Å
842	Y	97.8	Very high	97.3	Very high	3 Å²	3	36.2 Å²	36.2	1%	0.012	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-1.9	-175.5	52.2	-91.5	0	0	0	115	I630 Y816 K819 L820 F840	I630-Y842 HydrophobicContact CD1-CE1 4.38Å; Y816-Y842 AromaticContact CD1-CE2 3.96Å; Y816-Y842 HydrophobicContact CD1-CE2 3.96Å; Y816-Y842 HydrophobicContact CG-CE2 4.38Å; K819-Y842 HydrophobicContact CB-CD2 4.3Å; K819-Y842 HydrophobicContact CG-CD2 4.17Å; K819-Y842 WeakPolarHBondContact CG-O 3.3Å; K819-Y842 PolarHBondContact NZ-O 3.14Å; L820-Y842 HydrophobicContact CB-CD1 4.22Å; L820-Y842 HydrophobicContact CB-CD2 3.85Å; L820-Y842 HydrophobicContact CB-CE2 4.24Å; L820-Y842 HydrophobicContact CB-CG 3.83Å; L820-Y842 HydrophobicContact CD1-CD1 3.9Å; L820-Y842 HydrophobicContact CD1-CG 3.9Å; L820-Y842 HydrophobicContact CD2-CD1 4.1Å; L820-Y842 HydrophobicContact CD2-CE1 4.18Å; L820-Y842 HydrophobicContact CG-CD1 4.3Å; L820-Y842 HydrophobicContact CG-CG 4.29Å; F840-Y842 AromaticContact CD1-CZ 3.97Å; F840-Y842 WeakPolarHBondContact CD1-OH 3.36Å; F840-Y842 PolarHBondContact O-N 3.35Å; F840-Y842 VanDerWaalsContact O-N 3.1Å
843	L	96.8	Very high	97.3	Very high	11 Å²	11	38.8 Å²	38.8	6%	0.058	21%	0.209	C	C	.	.			trans	-70.3	0	176.9	-68.3	-174.2	0	0	0	113.8	Q589 C592 K593 Y801 N803 Y816 K819 F840 Y841	Q589-L843 HydrophobicContact CG-CB 4.23Å; Q589-L843 PolarHBondContact NE2-O 3.3Å; C592-L843 HydrophobicContact CB-CD1 3.89Å; K593-L843 WeakPolarHBondContact CE-OXT 3.18Å; K593-L843 PolarHBondContact NZ-OXT 2.73Å; Y801-L843 HydrophobicContact CE2-CD2 4.05Å; N803-L843 HydrophobicContact CB-CD2 4.41Å; N803-L843 PolarHBondContact ND2-O 2.97Å; Y816-L843 HydrophobicContact CD1-CD2 3.91Å; Y816-L843 HydrophobicContact CE1-CD1 4.23Å; Y816-L843 HydrophobicContact CE1-CD2 3.91Å; K819-L843 VanDerWaalsContact CE-O 3.31Å; K819-L843 WeakPolarHBondContact CE-O 3.3Å; K819-L843 HydrophobicContact CG-CD2 4.33Å; K819-L843 VanDerWaalsContact NZ-C 3.34Å; K819-L843 PolarHBondContact NZ-O 2.87Å; F840-L843 HydrophobicContact CB-CD1 3.64Å; F840-L843 HydrophobicContact CB-CG 3.9Å; F840-L843 HydrophobicContact CD1-CD1 4.26Å; F840-L843 HydrophobicContact CG-CD1 4.12Å; F840-L843 PolarHBondContact O-N 3.07Å; Y841-L843 VanDerWaalsContact C-N 3.34Å; Y841-L843 PolarHBondContact O-N 2.89Å

Retrieved 843 of 843 residues in 1001.9 ms (Link to these results)

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