A0A075BJD5_DROME Loading...

Piwi

AlphaFold DB , UniProt , Accession A0A075BJD5, Species DROME (Drosophila melanogaster, Fruit fly), Gene piwi, Length 843 aa.

						>A0A075BJD5_DROME|A0A075BJD5|piwi
MADDQGRGRRRPLNEDDSSTSRGSGDGPRVKVFRGSSSGDPRADPRIEASRERGALEEAPRREGGPPERKPWGDQYDYLNTRPVELVSKKGTDGVPVMLQTNFFRLKTKPEWRIVHYHVEFVPTIENPRVRMGVLSNHANLLGSGYLFDGLQLFTTRKFEQEITVLSGKSKLDIEYKISIKFVGFISCAEPRFLQVLNLILRRSMKGLNLELVGRNLFDPRAKIEIREFKMELWPGYETSIRQHEKDILLGTEITHKVMRTETIYDIMRRCSHNPARHQDEVRVNVLDLIVLTDYNNRTYRINDVDFGQTPKSTFSCKGRDISFVEYYLTKYNIRIRDHNQPLLISKNRDKAQKTNASELVVLIPELCRVTGLNAEMRSNFQLMRAMSSYTRMNPKQRTDRLRAFNHRLQNTPESVKVLRDWNMELDKNVTEVQGRIIGQQNIVFHNGKVPAGENADWQRHFRDQRMLTTPSDGLDRWAVIAPQRNSHELRTLLDSLYRAASGMGLRVRSPQEFIIYDDRTGTYVRAMDDCVRSDPKLILCLVPNDNAERYSSIKKRGYVDRAVPTQVVTLKTTKNRSLMSIATKIAIQLNCKLGYTPWMIELPLSGLMTIGFDIAKSTRDRKRAYGALIASMDLQQNSTYFSTVTECSAFDVLANTLWPMIAKALRQYQHEHRKLPSRIVFYRDGVSSGSLKQLFEFEVKDIIEKLKTEYARVQLSPPQLAYIVVTRSMNTRFFLNGQNPPPGTIVDDVITLPERYDFYLVSQQVRQGTVSPTSYNVLYSSMGLSPEKMQKLTYKMCHLYYNWSGTTRVPAVCQYAKKLATLVGTNLHSIPQNALEKKFYYL
					

Structure Viewer

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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	33.2	Very low	30.9	Very low	239 Å²	239	173.5 Å²	173.5	100%	1.177	85%	0.853	S	S	*	*				0	85.5	0	-58.4	170.8	-172.8	0	0	104.5
2	A	30	Very low	32.1	Very low	83 Å²	83	167.8 Å²	167.8	69%	0.686	84%	0.839	S	S	*	*				61.1	132.7	67.5	0	0	0	0	0	109.8
3	D	31.6	Very low	31.9	Very low	160 Å²	160	164.6 Å²	164.6	86%	0.856	83%	0.825	S	S	*	*			cis	172.5	-176.1	1.2	-89.3	-25.5	0	0	0	101.8
4	D	34.4	Very low	31.7	Very low	122 Å²	122	162.1 Å²	162.1	65%	0.652	82%	0.816	S	S	*	*			cis	-158.5	164.4	-48	178.2	28.4	0	0	0	106.1
5	Q	34.2	Very low	31.8	Very low	173 Å²	173	160.7 Å²	160.7	81%	0.808	81%	0.805	S	S	*	*			trans	62.1	167.4	168.7	-71.6	164.8	66.7	0	0	117.6
6	G	28.8	Very low	31.7	Very low	69 Å²	69	158.6 Å²	158.6	71%	0.711	80%	0.798	S	S	*	*			cis	-173.6	147.7	-8	0	0	0	0	0	116
7	R	30.2	Very low	31.7	Very low	258 Å²	258	158 Å²	158	97%	0.974	80%	0.797	S	S	*	*			trans	3.1	141.8	158.1	-58.1	171.1	175.2	175.8	-1.4	122.6
8	G	27.3	Very low	31.6	Very low	74 Å²	74	153.9 Å²	153.9	76%	0.763	79%	0.786	S	S	*	*			trans	145.4	110.4	144.8	0	0	0	0	0	114.4
9	R	29.3	Very low	31.6	Very low	248 Å²	248	151.3 Å²	151.3	94%	0.936	78%	0.783	S	S	*	*				58.8	97.1	66.9	-84.3	-168.9	169	-171	-1.8	116.4
10	R	27.6	Very low	31.6	Very low	249 Å²	249	149.7 Å²	149.7	94%	0.94	78%	0.78	S	S	*	*				177.5	150	108.7	-101.2	174.9	172.5	165.3	-3.4	115.3
11	R	33	Very low	31.5	Very low	233 Å²	233	147.3 Å²	147.3	88%	0.879	78%	0.776	S	S	*	*			trans	-91.6	171.9	154.9	-101	-174.6	-177.6	-171.5	0	107.6
12	P	45.9	Very low	31.3	Very low	105 Å²	105	147.6 Å²	147.6	68%	0.682	76%	0.764	S	S	*	*			cis	-159	-162.8	47.9	42.5	-17.8	0	0	0	118.1
13	L	29.7	Very low	31.2	Very low	127 Å²	127	146.9 Å²	146.9	67%	0.665	77%	0.765	S	S	*	*			trans	73.3	130.1	164.9	-60.6	170.5	0	0	0	115.6
14	N	29.3	Very low	31	Very low	130 Å²	130	145.5 Å²	145.5	70%	0.695	77%	0.768	S	S	*	*				72.5	154.9	55.1	-61.9	30.2	0	0	0	110.2
15	E	31.9	Very low	30.6	Very low	140 Å²	140	143.1 Å²	143.1	65%	0.654	77%	0.772	S	S	*	*			cis	-127.5	172.4	16.2	-78	82.6	-121.3	0	0	110.1
16	D	30.6	Very low	30.3	Very low	128 Å²	128	143.4 Å²	143.4	68%	0.684	78%	0.78	S	S	*	*			cis	-166.4	154.2	-15.2	-105.7	16.2	0	0	0	110.2
17	D	32.7	Very low	30.5	Very low	148 Å²	148	142.7 Å²	142.7	79%	0.791	77%	0.772	S	S	*	*				79.6	153.5	103.4	-143.6	39.8	0	0	0	114.8
18	S	29.8	Very low	30.7	Very low	84 Å²	84	137.1 Å²	137.1	59%	0.587	77%	0.769	S	S	*	*			cis	-154.9	154.4	17.9	71.4	0	0	0	0	118
19	S	31.3	Very low	30.7	Very low	104 Å²	104	144.7 Å²	144.7	73%	0.727	77%	0.774	S	S	*	*			trans	66	152.2	150.5	88.3	0	0	0	0	119.7
20	T	30.8	Very low	30.6	Very low	119 Å²	119	138.4 Å²	138.4	73%	0.73	76%	0.763	S	S	*	*			cis	-133.7	135.1	-3.1	41.5	0	0	0	0	109.1
21	S	29.5	Very low	30.5	Very low	100 Å²	100	135.6 Å²	135.6	70%	0.699	76%	0.758	S	S	*	*				63.9	129.6	82.4	113.9	0	0	0	0	114.5
22	R	30	Very low	30.1	Very low	245 Å²	245	129.9 Å²	129.9	93%	0.925	75%	0.749	S	S	*	*			cis	-148	167	-0	-61.5	172.8	174.2	161.8	-4.1	107.1
23	G	27.1	Very low	29.1	Very low	68 Å²	68	132.9 Å²	132.9	70%	0.701	75%	0.751	S	S	*	*			cis	173	159.2	-2	0	0	0	0	0	110.4
24	S	28.2	Very low	28.9	Very low	131 Å²	131	137.2 Å²	137.2	92%	0.916	76%	0.759	S	S	*	*			trans	5.9	140.2	166.7	56.5	0	0	0	0	121.9
25	G	26.1	Very low	28.6	Very low	73 Å²	73	134.9 Å²	134.9	75%	0.753	77%	0.765	S	S	*	*			cis	155.9	-179.6	-0.1	0	0	0	0	0	114.6
26	D	28.1	Very low	28.3	Very low	179 Å²	179	133 Å²	133	96%	0.957	77%	0.768	S	S	*	*			trans	64	159.5	176.8	-140.1	-10.9	0	0	0	118
27	G	32.8	Very low	28.1	Very low	53 Å²	53	132.4 Å²	132.4	55%	0.546	77%	0.774	S	S	.	*			trans	-131.1	166.4	-170.2	0	0	0	0	0	115.5
28	P	34.8	Very low	27.8	Very low	141 Å²	141	130.9 Å²	130.9	92%	0.916	78%	0.775	S	S	*	*			trans	-87.4	134.6	-167.4	-7.8	26.7	0	0	0	114.2
29	R	27	Very low	27.6	Very low	233 Å²	233	130.5 Å²	130.5	88%	0.879	78%	0.784	S	S	*	*			trans	-101.4	132.9	162.5	-80.3	176.7	166.8	177.9	-2.1	110.2
30	V	26.7	Very low	27.6	Very low	116 Å²	116	132.9 Å²	132.9	70%	0.703	79%	0.788	S	S	*	*				50.3	136.8	125.6	-177.7	0	0	0	0	119.6
31	K	26	Very low	28.2	Very low	190 Å²	190	131.4 Å²	131.4	83%	0.826	78%	0.781	S	S	*	*			trans	75	157.4	159.9	-85.6	172.1	-172.4	-178.4	0	116.6
32	V	24.3	Very low	28.1	Very low	114 Å²	114	137.8 Å²	137.8	69%	0.691	79%	0.789	S	S	*	*			cis	-165.3	158	-23	93.1	0	0	0	0	112.9
33	F	23.9	Very low	28	Very low	167 Å²	167	130.1 Å²	130.1	73%	0.732	78%	0.779	S	S	*	*			trans	73.8	152.7	153.3	-93.3	-149.4	0	0	0	124.6
34	R	26.6	Very low	27.9	Very low	219 Å²	219	134.1 Å²	134.1	83%	0.826	78%	0.784	S	S	*	*			trans	61.3	112.2	150.3	-75.2	174.7	-179.2	179.1	-0.7	119.4
35	G	23.4	Very low	28.6	Very low	80 Å²	80	132.1 Å²	132.1	83%	0.825	77%	0.768	S	S	*	*			trans	-100.3	155.7	147	0	0	0	0	0	111
36	S	25.1	Very low	28.7	Very low	101 Å²	101	139 Å²	139	71%	0.706	77%	0.771	S	S	*	*			trans	-164.5	129	174.1	50.4	0	0	0	0	109.5
37	S	26.6	Very low	28.8	Very low	116 Å²	116	137.1 Å²	137.1	81%	0.811	76%	0.76	S	S	*	*			trans	59.9	157.3	175.8	27	0	0	0	0	115.3
38	S	26.4	Very low	28.6	Very low	116 Å²	116	142 Å²	142	81%	0.811	77%	0.768	S	S	*	*			cis	-170.2	163.4	-12.4	43	0	0	0	0	108.3
39	G	25.1	Very low	28.1	Very low	75 Å²	75	140 Å²	140	77%	0.773	76%	0.764	S	S	*	*			trans	103.7	86	156.4	0	0	0	0	0	116.9
40	D	30.2	Very low	28.1	Very low	155 Å²	155	133.6 Å²	133.6	83%	0.829	75%	0.754	S	S	*	*			trans	-62.1	162.9	134.1	-150.3	39	0	0	0	107.9
41	P	44.6	Very low	28.1	Very low	87 Å²	87	138.8 Å²	138.8	57%	0.565	76%	0.761	S	S	*	*			cis	-160.1	-178.6	45.7	47.7	-25.9	0	0	0	120.4
42	R	27.5	Very low	28.1	Very low	234 Å²	234	137.6 Å²	137.6	88%	0.883	76%	0.759	S	S	*	*			trans	71.7	148.5	156.8	-67.5	160.9	-165.2	-178.3	3.1	117.9
43	A	26.6	Very low	28.2	Very low	85 Å²	85	144.1 Å²	144.1	70%	0.702	77%	0.771	S	S	*	*			cis	-163.5	141.1	-20.1	0	0	0	0	0	111
44	D	26.1	Very low	28.3	Very low	151 Å²	151	140 Å²	140	81%	0.807	78%	0.776	S	S	*	*				28.6	153.6	118.1	-129	40.8	0	0	0	120.2
45	P	42.8	Very low	28.2	Very low	90 Å²	90	134.5 Å²	134.5	58%	0.584	78%	0.777	S	S	*	*			cis	-154.7	179.5	25.8	48.8	-29.1	0	0	0	120.7
46	R	28.1	Very low	28.4	Very low	217 Å²	217	138.9 Å²	138.9	82%	0.819	78%	0.781	S	S	*	*			trans	69.8	155.4	154	-70.1	164	-171.7	-158.6	-0.4	117.8
47	I	30.8	Very low	28.4	Very low	139 Å²	139	143.1 Å²	143.1	71%	0.713	79%	0.789	S	S	*	*			cis	-164.9	158	-10.6	-108.5	163.2	0	0	0	106.1
48	E	27	Very low	28.5	Very low	156 Å²	156	147.2 Å²	147.2	73%	0.729	80%	0.796	S	S	*	*			cis	-170.1	152.6	-35	-157.9	-156.2	-64.4	0	0	108.9
49	A	25.3	Very low	28.4	Very low	99 Å²	99	146 Å²	146	82%	0.818	79%	0.793	S	S	*	*			trans	-170.3	148.7	158.5	0	0	0	0	0	110.7
50	S	27.4	Very low	28.4	Very low	98 Å²	98	148.5 Å²	148.5	69%	0.685	80%	0.795	S	S	*	*			trans	-148.5	156.9	-161.5	55.5	0	0	0	0	116
51	R	26.9	Very low	28.3	Very low	225 Å²	225	153.1 Å²	153.1	85%	0.849	80%	0.801	S	S	*	*			trans	153.8	144.3	158.2	-92.3	173.3	174.3	171.4	2.4	110.3
52	E	25.4	Very low	27.5	Very low	165 Å²	165	160.7 Å²	160.7	77%	0.771	82%	0.818	S	S	*	*			cis	-172.8	137.5	-21.6	-129.8	168.5	-161.3	0	0	106.9
53	R	27	Very low	27.5	Very low	252 Å²	252	158.9 Å²	158.9	95%	0.951	82%	0.82	S	S	*	*			trans	-152.7	124.2	162	-75.3	-161	-178.1	-162.3	0.4	110.2
54	G	25	Very low	27.5	Very low	81 Å²	81	158.7 Å²	158.7	84%	0.835	83%	0.826	S	S	*	*			trans	-79.8	160.2	174	0	0	0	0	0	113.4
55	A	24.8	Very low	27.4	Very low	102 Å²	102	154.5 Å²	154.5	84%	0.843	82%	0.818	S	S	*	*			trans	-90.7	168.3	171.5	0	0	0	0	0	111.8
56	L	27.2	Very low	26.6	Very low	173 Å²	173	156 Å²	156	91%	0.906	83%	0.828	S	S	*	*			trans	-137.9	150.8	168.5	-94.5	167.4	0	0	0	109.5
57	E	25.9	Very low	26.6	Very low	189 Å²	189	151.3 Å²	151.3	88%	0.883	83%	0.826	S	S	*	*			trans	-86.9	165.9	-162.9	-61.8	169.3	115.3	0	0	114.3
58	E	28.3	Very low	26.4	Very low	203 Å²	203	153.5 Å²	153.5	95%	0.949	83%	0.833	S	S	*	*			trans	-76.8	147.3	174.7	-67.1	-166.3	114.5	0	0	112.6
59	A	24.2	Very low	26.4	Very low	91 Å²	91	156.8 Å²	156.8	75%	0.752	84%	0.839	S	S	*	*			trans	-125	149.6	173.4	0	0	0	0	0	110.8
60	P	26.4	Very low	26.5	Very low	127 Å²	127	161 Å²	161	83%	0.825	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-76	153.1	-158.8	28.1	-36	0	0	0	115.3	R62	P60-R62 PolarHBondContact O-N 3.43Å
61	R	27.6	Very low	26.6	Very low	251 Å²	251	161 Å²	161	95%	0.947	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-66.7	126.6	176	-62.7	177.3	-178.7	171.7	1.7	110.8
62	R	27.5	Very low	26.5	Very low	246 Å²	246	162.4 Å²	162.4	93%	0.928	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-78.7	145.3	164.7	-76.9	-175.6	171.1	179.9	-3	110.9	P60	P60-R62 PolarHBondContact O-N 3.43Å
63	E	26.6	Very low	26.9	Very low	197 Å²	197	156.2 Å²	156.2	92%	0.921	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-67.5	149.7	178.4	-61.4	-177.9	120.3	0	0	112.3
64	G	26.7	Very low	27.2	Very low	80 Å²	80	148.2 Å²	148.2	83%	0.825	80%	0.798	S	S	*	*			trans	-86	113.3	-174.7	0	0	0	0	0	113
65	G	24.9	Very low	27.8	Very low	63 Å²	63	152.3 Å²	152.3	65%	0.649	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-60.3	153.6	159.7	0	0	0	0	0	111.5
66	P	26.1	Very low	28.8	Very low	122 Å²	122	150.6 Å²	150.6	79%	0.792	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-62	141.4	-176.4	25.7	-34.4	0	0	0	111.5	E68	P66-E68 PolarHBondContact O-N 3.31Å
67	P	28	Very low	30	Very low	119 Å²	119	144.9 Å²	144.9	77%	0.773	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-68.2	121	-170.9	26.1	-34.6	0	0	0	112.1	R69	P67-R69 PolarHBondContact O-N 3.49Å
68	E	25.8	Very low	31.7	Very low	185 Å²	185	139.8 Å²	139.8	86%	0.864	71%	0.712	S	S	*	*			trans	-56.3	110.5	173.6	-72.2	-163	133.1	0	0	111.3	P66 K70	P66-E68 PolarHBondContact O-N 3.31Å; E68-K70 PolarHBondContact O-N 3.19Å
69	R	27.8	Very low	33.8	Very low	224 Å²	224	131.5 Å²	131.5	85%	0.845	67%	0.674	S	S	*	*			trans	-70.2	93.6	172.2	-74.9	-176.5	173.4	168.6	1.7	109.7	P67	P67-R69 PolarHBondContact O-N 3.49Å
70	K	26.4	Very low	36.5	Very low	188 Å²	188	132.1 Å²	132.1	82%	0.817	66%	0.664	S	S	*	*			trans	-46.8	124.7	171.3	-73.1	-175.5	176.2	178.1	0	110.3	E68	E68-K70 PolarHBondContact O-N 3.19Å
71	P	29.4	Very low	39.2	Very low	99 Å²	99	126.7 Å²	126.7	64%	0.643	63%	0.629	S	S	*	*			trans	-58.4	153	-174.9	-28.5	35.8	0	0	0	114.2	G73	P71-G73 PolarHBondContact O-N 2.82Å; P71-G73 VanDerWaalsContact O-N 3.1Å
72	W	26	Very low	41.8	Very low	253 Å²	253	117.8 Å²	117.8	96%	0.958	60%	0.595	S	S	*	*	S	Bend	trans	-68.5	106.2	176.7	-86.6	35.3	0	0	0	111.4
73	G	32.4	Very low	44.3	Very low	35 Å²	35	108.6 Å²	108.6	36%	0.361	57%	0.568	S	S	.	*			trans	-154.2	149.2	171.1	0	0	0	0	0	113.1	P71	P71-G73 PolarHBondContact O-N 2.82Å; P71-G73 VanDerWaalsContact O-N 3.1Å
74	D	35.1	Very low	46.7	Very low	84 Å²	84	106.3 Å²	106.3	45%	0.449	57%	0.567	S	S	.	*			trans	-67.4	122.8	146.5	-71.5	-41.5	0	0	0	106.4	Y76 Q195	D74-Y76 HydrophobicContact CB-CD2 4.42Å; D74-Y76 HydrophobicContact CB-CE2 4.07Å; D74-Y76 WeakPolarHBondContact O-CD2 3.31Å; D74-Y76 PolarHBondContact O-N 2.92Å; D74-Q195 PolarHBondContact O-NE2 3.43Å; D74-Q195 VanDerWaalsContact O-NE2 3.07Å
75	Q	36.7	Very low	49.2	Very low	168 Å²	168	111.1 Å²	111.1	79%	0.785	57%	0.568	S	S	*	*			trans	-76.1	96.3	174.9	-169.6	166.5	4.3	0	0	107.3	D77	Q75-D77 VanDerWaalsContact C-N 3.28Å; Q75-D77 PolarHBondContact O-N 2.8Å
76	Y	46.5	Very low	51.9	Low	66 Å²	66	109.6 Å²	109.6	26%	0.259	55%	0.545	S	S	.	.			trans	-69.9	87.4	176.3	-70.7	-97.6	0	0	0	108.5	D74 Y78 L194 Q195	D74-Y76 HydrophobicContact CB-CD2 4.42Å; D74-Y76 HydrophobicContact CB-CE2 4.07Å; D74-Y76 WeakPolarHBondContact O-CD2 3.31Å; D74-Y76 PolarHBondContact O-N 2.92Å; Y76-Y78 PolarHBondContact O-N 2.89Å; Y76-L194 HydrophobicContact CD1-CD2 3.68Å; Y76-L194 HydrophobicContact CE1-CD2 3.75Å; Y76-L194 HydrophobicContact CE1-CG 4.28Å; Y76-L194 HydrophobicContact CG-CD2 4.38Å; Y76-Q195 HydrophobicContact CD2-CG 3.74Å; Y76-Q195 HydrophobicContact CE2-CG 3.55Å
77	D	51.5	Low	54.3	Low	53 Å²	53	110.1 Å²	110.1	28%	0.283	55%	0.545	S	S	.	.			trans	-63.4	98.6	174.7	-101.2	-34.1	0	0	0	109.7	Q75 K693	Q75-D77 VanDerWaalsContact C-N 3.28Å; Q75-D77 PolarHBondContact O-N 2.8Å; D77-K693 HydrophobicContact CB-CB 4.19Å; D77-K693 HydrophobicContact CB-CD 3.94Å; D77-K693 WeakPolarHBondContact OD1-CD 3.35Å; D77-K693 IonicContact OD1-NZ 3.8Å; D77-K693 PolarHBondContact OD1-NZ 2.83Å
78	Y	61.4	Low	57	Low	82 Å²	82	107 Å²	107	32%	0.322	53%	0.526	S	S	.	.			trans	-87.7	137.9	-178.4	-158.5	-113.9	0	0	0	109.3	Y76 E755	Y76-Y78 PolarHBondContact O-N 2.89Å; Y78-E755 HydrophobicContact CD2-CG 4.41Å; Y78-E755 HydrophobicContact CE1-CB 3.82Å; Y78-E755 HydrophobicContact CE1-CG 3.85Å; Y78-E755 HydrophobicContact CE2-CB 4.42Å; Y78-E755 HydrophobicContact CE2-CG 3.71Å; Y78-E755 VanDerWaalsContact CZ-CG 3.42Å; Y78-E755 WeakPolarHBondContact OH-CB 3.42Å; Y78-E755 PolarHBondContact OH-OE2 3.13Å
79	L	73	Confident	60.1	Low	28 Å²	28	98.4 Å²	98.4	15%	0.147	49%	0.486	C	S	.	.			trans	-134.1	114.5	175	178.7	73.4	0	0	0	106.6	T81 K693 F696	L79-T81 HydrophobicContact CD2-CG2 3.65Å; L79-T81 HydrophobicContact CG-CG2 3.8Å; L79-T81 PolarHBondContact O-N 2.88Å; L79-K693 HydrophobicContact CB-CB 4.44Å; L79-F696 HydrophobicContact CD1-CB 4.31Å; L79-F696 HydrophobicContact CD1-CD1 3.93Å; L79-F696 HydrophobicContact CD1-CE1 4.45Å; L79-F696 HydrophobicContact CD1-CG 4.09Å; L79-F696 HydrophobicContact CD2-CB 3.56Å; L79-F696 HydrophobicContact CD2-CD2 4.18Å; L79-F696 HydrophobicContact CD2-CG 3.86Å
80	N	81.4	Confident	63.2	Low	104 Å²	104	92 Å²	92	56%	0.556	46%	0.464	S	S	*	.			trans	-75.7	119.5	168.7	-175.8	8.2	0	0	0	108	R82 E755	N80-R82 PolarHBondContact OD1-N 2.89Å; N80-E755 CarbonylContact C-O 3.5Å; N80-E755 WeakPolarHBondContact CA-O 3.45Å; N80-E755 HydrophobicContact CB-CB 4.4Å; N80-E755 PolarHBondContact OD1-O 2.8Å
81	T	81.4	Confident	66.2	Low	13 Å²	13	83.4 Å²	83.4	8%	0.08	43%	0.429	C	S	.	.			trans	-114.9	-1.5	178.7	72.1	0	0	0	0	112.9	L79 P83 E755 R756 Y757 N777 V778 L779	L79-T81 HydrophobicContact CD2-CG2 3.65Å; L79-T81 HydrophobicContact CG-CG2 3.8Å; L79-T81 PolarHBondContact O-N 2.88Å; T81-P83 VanDerWaalsContact O-CD 3.31Å; T81-P83 WeakPolarHBondContact O-CD 3.49Å; T81-E755 PolarHBondContact N-O 3.25Å; T81-R756 WeakPolarHBondContact OG1-CA 3.44Å; T81-Y757 PolarHBondContact OG1-N 3Å; T81-N777 PolarHBondContact OG1-OD1 2.81Å; T81-V778 VanDerWaalsContact CB-O 3.32Å; T81-V778 WeakPolarHBondContact CB-O 3.44Å; T81-V778 PolarHBondContact OG1-O 2.94Å; T81-L779 HydrophobicContact CG2-CD2 3.74Å
82	R	83.3	Confident	69.2	Low	64 Å²	64	84 Å²	84	24%	0.242	43%	0.431	C	S	.	.	S	Bend	trans	-76.9	116.8	171.4	-172.5	173.2	-174.5	154.6	-2.9	108.8	N80 L86 V87 E245 P754 E755	N80-R82 PolarHBondContact OD1-N 2.89Å; R82-L86 PolarHBondContact NE-O 3.38Å; R82-V87 PolarHBondContact NH2-O 3.18Å; R82-E245 IonicContact NH1-OE2 3.21Å; R82-E245 PolarHBondContact NH1-OE2 2.89Å; R82-P754 VanDerWaalsContact CD-O 3.26Å; R82-P754 WeakPolarHBondContact CD-O 3.45Å; R82-P754 PolarHBondContact NH1-O 2.76Å; R82-E755 PolarHBondContact N-O 3.09Å
83	P	80.4	Confident	72.2	Confident	54 Å²	54	74.5 Å²	74.5	35%	0.351	40%	0.399	S	S	.	.			trans	-60.2	144.6	173	-20.4	32.8	0	0	0	110.5	T81 E85 L86	T81-P83 VanDerWaalsContact O-CD 3.31Å; T81-P83 WeakPolarHBondContact O-CD 3.49Å; P83-E85 PolarHBondContact O-N 3.45Å; P83-L86 HydrophobicContact CB-CB 4.11Å; P83-L86 HydrophobicContact CG-CB 4.21Å; P83-L86 WeakPolarHBondContact O-CB 3.47Å; P83-L86 PolarHBondContact O-N 3.1Å
84	V	77.3	Confident	75.1	Confident	149 Å²	149	74.7 Å²	74.7	90%	0.903	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-35.9	178.8	-177.7	0	0	0	0	111.1	L86	V84-L86 PolarHBondContact O-N 3.17Å
85	E	78.9	Confident	78	Confident	181 Å²	181	75.2 Å²	75.2	85%	0.846	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-18.3	174.5	-64.7	158.7	-143	0	0	113.8	P83 V87	P83-E85 PolarHBondContact O-N 3.45Å; E85-V87 VanDerWaalsContact C-N 3.32Å; E85-V87 PolarHBondContact O-N 3.05Å
86	L	80.6	Confident	80.9	Confident	31 Å²	31	71 Å²	71	16%	0.162	39%	0.394	C	S	.	.			trans	-85	74.2	-176.1	-168.4	68.9	0	0	0	111.4	R82 P83 V84 S88 K89 Y757 P787	R82-L86 PolarHBondContact NE-O 3.38Å; P83-L86 HydrophobicContact CB-CB 4.11Å; P83-L86 HydrophobicContact CG-CB 4.21Å; P83-L86 WeakPolarHBondContact O-CB 3.47Å; P83-L86 PolarHBondContact O-N 3.1Å; V84-L86 PolarHBondContact O-N 3.17Å; L86-S88 VanDerWaalsContact C-N 3.27Å; L86-S88 WeakPolarHBondContact CD1-O 3.43Å; L86-S88 PolarHBondContact O-N 3.21Å; L86-K89 HydrophobicContact CD2-CB 4.08Å; L86-Y757 HydrophobicContact CD2-CD1 3.67Å; L86-Y757 HydrophobicContact CD2-CD2 3.68Å; L86-Y757 HydrophobicContact CD2-CE1 4.12Å; L86-Y757 HydrophobicContact CD2-CE2 4.13Å; L86-Y757 HydrophobicContact CD2-CG 3.45Å; L86-Y757 VanDerWaalsContact CD2-CG 3.45Å; L86-P787 HydrophobicContact CD1-CG 4.24Å
87	V	76.9	Confident	83.2	Confident	133 Å²	133	69 Å²	69	81%	0.806	39%	0.389	S	S	*	.	S	Bend	trans	-46.8	-50.7	176.2	-177.2	0	0	0	0	111	R82 E85	R82-V87 PolarHBondContact NH2-O 3.18Å; E85-V87 VanDerWaalsContact C-N 3.32Å; E85-V87 PolarHBondContact O-N 3.05Å
88	S	85.8	Confident	85.4	Confident	53 Å²	53	71 Å²	71	37%	0.371	40%	0.398	S	S	.	.			trans	-130.5	135.9	177.2	-178.5	0	0	0	0	111.4	L86 K90	L86-S88 VanDerWaalsContact C-N 3.27Å; L86-S88 WeakPolarHBondContact CD1-O 3.43Å; L86-S88 PolarHBondContact O-N 3.21Å; S88-K90 WeakPolarHBondContact OG-CB 3.42Å; S88-K90 PolarHBondContact OG-N 3.41Å; S88-K90 VanDerWaalsContact OG-N 3.11Å
89	K	90.1	Very high	87	Confident	4 Å²	4	67.1 Å²	67.1	2%	0.017	38%	0.383	C	S	.	.			trans	-95	1.7	168.2	66.2	-176.2	175.8	-173.4	0	113.6	L86 E245 T752 L753 R756 Y757 D758 P787	L86-K89 HydrophobicContact CD2-CB 4.08Å; K89-E245 WeakPolarHBondContact CE-OE1 3.49Å; K89-E245 IonicContact NZ-OE1 2.74Å; K89-E245 PolarHBondContact NZ-OE1 3.37Å; K89-E245 IonicContact NZ-OE2 2.81Å; K89-T752 WeakPolarHBondContact CE-OG1 3.37Å; K89-L753 PolarHBondContact NZ-O 2.81Å; K89-R756 VanDerWaalsContact CD-O 3.27Å; K89-R756 WeakPolarHBondContact CD-O 3.31Å; K89-R756 PolarHBondContact NZ-O 2.78Å; K89-Y757 HydrophobicContact CB-CD2 3.9Å; K89-Y757 HydrophobicContact CB-CE2 4.28Å; K89-D758 IonicContact NZ-OD1 3.72Å; K89-D758 PolarHBondContact NZ-OD1 2.81Å; K89-P787 WeakPolarHBondContact O-CB 3.4Å
90	K	92.7	Very high	88	Confident	90 Å²	90	68.1 Å²	68.1	39%	0.391	39%	0.387	S	S	.	.			trans	-75.4	128.4	177.6	-50	-170.9	-160.2	-167.2	0	110.3	S88 D748 D749	S88-K90 WeakPolarHBondContact OG-CB 3.42Å; S88-K90 PolarHBondContact OG-N 3.41Å; S88-K90 VanDerWaalsContact OG-N 3.11Å; K90-D748 VanDerWaalsContact CA-OD2 3.3Å; K90-D748 WeakPolarHBondContact CA-OD2 3.34Å; K90-D749 HydrophobicContact CD-CB 4.12Å; K90-D749 VanDerWaalsContact CE-OD2 3.28Å; K90-D749 WeakPolarHBondContact CE-OD2 3.34Å; K90-D749 HydrophobicContact CG-CB 4.35Å; K90-D749 IonicContact NZ-OD1 3.65Å; K90-D749 IonicContact NZ-OD2 2.62Å; K90-D749 PolarHBondContact NZ-OD2 3.47Å
91	G	90.5	Very high	88.6	Confident	7 Å²	7	63.2 Å²	63.2	7%	0.072	36%	0.36	C	S	.	.			trans	-80.3	161.2	166.1	0	0	0	0	0	112.3	R436 D748	G91-R436 VanDerWaalsContact O-CZ 3.24Å; G91-R436 PolarHBondContact O-NE 3.22Å; G91-D748 PolarHBondContact N-OD2 2.91Å
92	T	90.7	Very high	89.2	Confident	113 Å²	113	62.6 Å²	62.6	69%	0.693	36%	0.357	S	S	*	.			trans	-106.6	-31.1	179.4	62.1	0	0	0	0	113.8	E788	T92-E788 PolarHBondContact N-OE2 3.38Å; T92-E788 PolarHBondContact OG1-OE2 2.99Å
93	D	89.1	Confident	89.8	Confident	52 Å²	52	59.9 Å²	59.9	28%	0.278	35%	0.347	S	S	.	.			trans	-53.1	140.9	180	-86.1	-35.5	0	0	0	114.4	R436 E788 K792	D93-R436 WeakPolarHBondContact O-CD 3.4Å; D93-R436 PolarHBondContact O-NH1 2.88Å; D93-E788 HydrophobicContact CB-CB 4.02Å; D93-E788 HydrophobicContact CB-CG 4.2Å; D93-E788 WeakPolarHBondContact OD2-CG 3.24Å; D93-K792 IonicContact OD1-NZ 3.62Å; D93-K792 WeakPolarHBondContact OD2-CE 3.34Å; D93-K792 IonicContact OD2-NZ 3.13Å; D93-K792 PolarHBondContact OD2-NZ 3.46Å
94	G	93.3	Very high	90.4	Very high	40 Å²	40	57.4 Å²	57.4	41%	0.412	33%	0.33	S	S	.	.	S	Bend	trans	97.6	176.1	164.3	0	0	0	0	0	115	I437	G94-I437 CarbonylContact C-O 3.47Å; G94-I437 WeakPolarHBondContact CA-O 3.36Å
95	V	96.7	Very high	91.2	Very high	94 Å²	94	54.9 Å²	54.9	57%	0.57	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.2	121.2	-173.1	-177.5	0	0	0	0	109.8	R436 I437	V95-R436 CarbonylContact O-C 3.59Å; V95-R436 VanDerWaalsContact O-CA 3.28Å; V95-R436 WeakPolarHBondContact O-CA 3.27Å; V95-I437 PolarHBondContact N-O 2.78Å; V95-I437 PolarHBondContact O-N 2.92Å
96	P	96.6	Very high	91.9	Very high	80 Å²	80	46.5 Å²	46.5	52%	0.519	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	141.6	178	29.2	-34.6	0	0	0	111.3	G435	P96-G435 WeakPolarHBondContact CA-O 3.19Å
97	V	96.6	Very high	92.4	Very high	25 Å²	25	49.1 Å²	49.1	15%	0.152	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	144.4	178.8	-71.1	0	0	0	0	111.2	L99 G435 I437 L736	V97-L99 HydrophobicContact CG2-CD1 4.27Å; V97-L99 HydrophobicContact CG2-CD2 4.15Å; V97-L99 HydrophobicContact CG2-CG 4.09Å; V97-G435 PolarHBondContact N-O 2.87Å; V97-G435 PolarHBondContact O-N 3.28Å; V97-I437 HydrophobicContact CG1-CD1 3.68Å; V97-I437 HydrophobicContact CG1-CG1 4.15Å; V97-I437 HydrophobicContact CG2-CD1 4.29Å; V97-I437 HydrophobicContact CG2-CG1 4.01Å; V97-L736 HydrophobicContact CB-CD1 4.03Å; V97-L736 HydrophobicContact CG1-CD1 4.34Å
98	M	96.6	Very high	93	Very high	95 Å²	95	45.5 Å²	45.5	47%	0.468	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	132.5	168.7	-73.3	-55.1	-56.8	0	0	110.6	E432 Q434 L736	M98-E432 HydrophobicContact CE-CB 3.66Å; M98-Q434 HydrophobicContact SD-CB 3.95Å; M98-Q434 HydrophobicContact SD-CG 4.41Å; M98-L736 WeakPolarHBondContact O-CD1 3.4Å
99	L	95.7	Very high	92.9	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	125.2	-174.2	-63.1	167.5	0	0	0	110.2	V97 E432 V433 F734 F735 L736 P741 T745 V747	V97-L99 HydrophobicContact CG2-CD1 4.27Å; V97-L99 HydrophobicContact CG2-CD2 4.15Å; V97-L99 HydrophobicContact CG2-CG 4.09Å; L99-E432 CarbonylContact O-C 3.5Å; L99-E432 WeakPolarHBondContact O-CA 3.39Å; L99-V433 PolarHBondContact N-O 2.93Å; L99-V433 PolarHBondContact O-N 3.34Å; L99-F734 HydrophobicContact CB-CB 4.33Å; L99-F734 HydrophobicContact CD1-CD2 3.94Å; L99-F734 HydrophobicContact CD1-CE2 4.35Å; L99-F735 CarbonylContact C-O 3.54Å; L99-F735 WeakPolarHBondContact CA-O 3.48Å; L99-L736 HydrophobicContact CD2-CB 3.83Å; L99-L736 HydrophobicContact CD2-CD1 4.02Å; L99-L736 HydrophobicContact CD2-CG 4.47Å; L99-P741 HydrophobicContact CD2-CG 4.47Å; L99-T745 HydrophobicContact CD1-CG2 3.66Å; L99-T745 HydrophobicContact CD2-CG2 4.18Å; L99-V747 HydrophobicContact CD1-CG2 3.49Å; L99-V747 VanDerWaalsContact CD1-CG2 3.49Å
100	Q	93.6	Very high	92.4	Very high	49 Å²	49	55.4 Å²	55.4	23%	0.229	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	132.5	170.4	-75.9	171	-6.6	0	0	108.8	V430 E432 F734 F735	Q100-V430 HydrophobicContact CB-CG1 4.47Å; Q100-E432 HydrophobicContact CG-CG 3.95Å; Q100-E432 WeakPolarHBondContact CG-OE1 3.27Å; Q100-E432 PolarHBondContact NE2-OE1 2.99Å; Q100-F734 CarbonylContact O-C 3.57Å; Q100-F734 WeakPolarHBondContact O-CA 3.13Å; Q100-F735 PolarHBondContact N-O 3.39Å; Q100-F735 VanDerWaalsContact O-CD2 3.27Å; Q100-F735 WeakPolarHBondContact O-CD2 3.4Å; Q100-F735 PolarHBondContact O-N 2.84Å
101	T	94.1	Very high	91.8	Very high	1 Å²	1	59.8 Å²	59.8	1%	0.006	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	-159.5	-176.3	68.6	0	0	0	0	112.5	F103 V430 T431 V433 R733 F734 F735 I751	T101-F103 PolarHBondContact OG1-N 2.87Å; T101-V430 WeakPolarHBondContact O-CG1 3.41Å; T101-T431 WeakPolarHBondContact CB-O 3.37Å; T101-T431 VanDerWaalsContact CG2-O 3.32Å; T101-T431 WeakPolarHBondContact CG2-O 3.48Å; T101-T431 PolarHBondContact N-O 2.82Å; T101-T431 PolarHBondContact OG1-O 2.96Å; T101-V433 HydrophobicContact CG2-CB 4.18Å; T101-V433 HydrophobicContact CG2-CG2 3.51Å; T101-R733 CarbonylContact C-O 3.5Å; T101-R733 WeakPolarHBondContact CA-O 3.4Å; T101-F734 HydrophobicContact CG2-CB 4.38Å; T101-F735 WeakPolarHBondContact O-CE2 3.35Å; T101-I751 HydrophobicContact CG2-CD1 4.07Å; T101-I751 HydrophobicContact CG2-CG2 4.06Å
102	N	94.8	Very high	91.6	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	33%	0.328	C	S	.	.	S	Bend	trans	-119.2	28.4	160.1	68.9	-41.9	0	0	0	112.5	T252 L402 N731 R733	N102-T252 WeakPolarHBondContact CB-O 3.45Å; N102-T252 PolarHBondContact ND2-O 3.08Å; N102-T252 PolarHBondContact O-N 3.48Å; N102-L402 HydrophobicContact CB-CD1 3.65Å; N102-N731 PolarHBondContact ND2-O 2.83Å; N102-R733 HydrophobicContact CB-CB 4Å; N102-R733 PolarHBondContact N-O 2.84Å; N102-R733 PolarHBondContact OD1-N 2.87Å; N102-R733 PolarHBondContact OD1-O 3.01Å
103	F	94.6	Very high	91.5	Very high	7 Å²	7	61.4 Å²	61.4	3%	0.031	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	147.3	176.8	-68.4	-104.9	0	0	0	110.2	T101 H244 L249 L250 T431 T732 I751	T101-F103 PolarHBondContact OG1-N 2.87Å; F103-H244 AromaticContact CE1-CE1 3.79Å; F103-H244 AromaticContact CE1-NE2 3.54Å; F103-L249 HydrophobicContact CB-CB 4.22Å; F103-L249 HydrophobicContact CB-CD1 4.18Å; F103-L249 HydrophobicContact CD1-CB 3.72Å; F103-L249 HydrophobicContact CD1-CD1 4.12Å; F103-L249 HydrophobicContact CG-CB 4.4Å; F103-L249 HydrophobicContact CG-CD1 4.33Å; F103-L250 WeakPolarHBondContact CA-O 3.49Å; F103-T431 PolarHBondContact O-N 2.84Å; F103-T431 PolarHBondContact O-OG1 2.94Å; F103-T732 HydrophobicContact CE2-CG2 3.96Å; F103-T732 HydrophobicContact CZ-CG2 4.43Å; F103-I751 HydrophobicContact CB-CG2 4.4Å; F103-I751 HydrophobicContact CD1-CG2 4.44Å; F103-I751 HydrophobicContact CD2-CB 4.41Å; F103-I751 HydrophobicContact CD2-CG2 3.69Å; F103-I751 HydrophobicContact CE2-CB 4.24Å; F103-I751 HydrophobicContact CE2-CG2 4.03Å; F103-I751 HydrophobicContact CG-CG2 3.93Å
104	F	94.3	Very high	91.5	Very high	1 Å²	1	58.9 Å²	58.9	0%	0.004	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	132.2	170.2	-58.6	-81.7	0	0	0	108.2	L249 L250 L402 N406 L426 V430	F104-L249 WeakPolarHBondContact O-CA 3.23Å; F104-L250 PolarHBondContact N-O 2.81Å; F104-L250 PolarHBondContact O-N 2.91Å; F104-L402 HydrophobicContact CZ-CB 4.25Å; F104-N406 HydrophobicContact CD1-CB 4.33Å; F104-N406 VanDerWaalsContact CD1-ND2 3.26Å; F104-N406 WeakPolarHBondContact CD1-ND2 3.42Å; F104-N406 HydrophobicContact CE1-CB 3.8Å; F104-N406 VanDerWaalsContact CE1-ND2 3.3Å; F104-N406 WeakPolarHBondContact CE1-ND2 3.41Å; F104-N406 HydrophobicContact CE2-CB 4.3Å; F104-N406 HydrophobicContact CZ-CB 3.78Å; F104-L426 HydrophobicContact CB-CD1 3.63Å; F104-L426 HydrophobicContact CB-CG 4.45Å; F104-V430 HydrophobicContact CD1-CG2 4.38Å; F104-V430 HydrophobicContact CE1-CB 4.47Å; F104-V430 HydrophobicContact CE1-CG2 3.61Å; F104-V430 HydrophobicContact CZ-CG2 3.98Å
105	R	94.1	Very high	91.4	Very high	96 Å²	96	57.1 Å²	57.1	36%	0.362	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	136.1	176.6	-173.1	-176.1	-169.5	-177.3	7.5	109.9	D247 L249 D427 T431	R105-D247 HydrophobicContact CG-CB 4.18Å; R105-D247 IonicContact CZ-OD1 2.79Å; R105-D247 IonicContact CZ-OD2 2.69Å; R105-D247 IonicContact NE-OD1 2.71Å; R105-D247 PolarHBondContact NE-OD1 2.63Å; R105-D247 IonicContact NE-OD2 3.14Å; R105-D247 IonicContact NH2-OD1 3.45Å; R105-D247 PolarHBondContact NH2-OD1 2.8Å; R105-D247 IonicContact NH2-OD2 2.75Å; R105-D247 PolarHBondContact NH2-OD2 3.48Å; R105-L249 HydrophobicContact CB-CD2 4.01Å; R105-L249 HydrophobicContact CG-CD2 4.23Å; R105-D427 HydrophobicContact CB-CB 4.2Å; R105-D427 PolarHBondContact O-N 2.84Å; R105-T431 PolarHBondContact N-OG1 2.77Å
106	L	92.5	Very high	91.2	Very high	5 Å²	5	53.3 Å²	53.3	3%	0.026	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	110.7	160.7	-83.9	77.4	0	0	0	107.7	I241 I248 L250 L419 M424 E425 L426	L106-I241 HydrophobicContact CD1-CD1 4.46Å; L106-I241 HydrophobicContact CD2-CD1 3.81Å; L106-I248 HydrophobicContact CB-CB 4.33Å; L106-I248 HydrophobicContact CB-CG2 4.17Å; L106-I248 PolarHBondContact N-O 3.03Å; L106-L250 HydrophobicContact CD1-CB 3.56Å; L106-L419 HydrophobicContact CD2-CD2 4.39Å; L106-M424 HydrophobicContact CB-CE 4.23Å; L106-M424 HydrophobicContact CD2-CB 4.33Å; L106-M424 HydrophobicContact CD2-CE 3.7Å; L106-M424 HydrophobicContact CD2-SD 3.99Å; L106-E425 CarbonylContact C-O 3.41Å; L106-E425 WeakPolarHBondContact CA-O 3.37Å; L106-L426 HydrophobicContact CD1-CD1 3.63Å; L106-L426 HydrophobicContact CG-CD1 4.2Å
107	K	91.7	Very high	91	Very high	87 Å²	87	49.6 Å²	49.6	38%	0.378	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	137.1	168.6	-74	165.7	169.1	161.1	0	108.9	M424 E425 D427	K107-M424 CarbonylContact O-C 3.56Å; K107-M424 WeakPolarHBondContact O-CA 3.38Å; K107-E425 HydrophobicContact CB-CB 4.4Å; K107-E425 PolarHBondContact N-O 2.84Å; K107-E425 PolarHBondContact O-N 3.15Å; K107-D427 WeakPolarHBondContact CE-OD1 3.4Å; K107-D427 WeakPolarHBondContact CE-OD2 3.24Å; K107-D427 IonicContact NZ-OD1 2.67Å; K107-D427 PolarHBondContact NZ-OD1 2.68Å; K107-D427 IonicContact NZ-OD2 3.58Å
108	T	88.9	Confident	90.9	Very high	56 Å²	56	50.6 Å²	50.6	34%	0.344	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	169.9	171.5	59.1	0	0	0	0	109.4	W112 I248 M424	T108-W112 HydrophobicContact CG2-CB 4.36Å; T108-W112 HydrophobicContact CG2-CD2 3.8Å; T108-W112 HydrophobicContact CG2-CE3 4.13Å; T108-W112 HydrophobicContact CG2-CG 3.93Å; T108-I248 HydrophobicContact CG2-CD1 4.18Å; T108-M424 HydrophobicContact CG2-CE 3.72Å; T108-M424 HydrophobicContact CG2-CG 4.29Å
109	K	84.1	Confident	90.7	Very high	124 Å²	124	46.1 Å²	46.1	54%	0.539	22%	0.218	S	C	.	.			trans	-60.5	152.9	166.4	-71.4	176.4	170.5	171.1	0	110.5	E111 W112 N423	K109-E111 VanDerWaalsContact C-N 3.32Å; K109-E111 PolarHBondContact O-N 2.67Å; K109-W112 HydrophobicContact CB-CB 4.46Å; K109-W112 WeakPolarHBondContact O-CB 3.47Å; K109-W112 PolarHBondContact O-N 2.79Å; K109-W112 VanDerWaalsContact O-N 3.09Å; K109-N423 HydrophobicContact CD-CB 4.23Å; K109-N423 VanDerWaalsContact CE-OD1 3.27Å; K109-N423 WeakPolarHBondContact CE-OD1 3.3Å; K109-N423 PolarHBondContact NZ-OD1 2.89Å
110	P	78.3	Confident	90.6	Very high	142 Å²	142	49.5 Å²	49.5	92%	0.922	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-42.7	-177.9	-28.4	36.2	0	0	0	113.9	W112	P110-W112 PolarHBondContact O-N 2.7Å
111	E	80.6	Confident	90.5	Very high	182 Å²	182	47.7 Å²	47.7	85%	0.85	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.2	31.9	177.9	-57.3	-167.4	144.7	0	0	113	K109 R113	K109-E111 VanDerWaalsContact C-N 3.32Å; K109-E111 PolarHBondContact O-N 2.67Å; E111-R113 PolarHBondContact O-N 2.88Å
112	W	87.5	Confident	90.3	Very high	25 Å²	25	52.3 Å²	52.3	10%	0.095	25%	0.253	C	S	.	.			trans	-67.6	117.9	-179.2	-171.7	92.2	0	0	0	111.4	T108 K109 P110 I114 T156 F193 L197 I248 W422 M424	T108-W112 HydrophobicContact CG2-CB 4.36Å; T108-W112 HydrophobicContact CG2-CD2 3.8Å; T108-W112 HydrophobicContact CG2-CE3 4.13Å; T108-W112 HydrophobicContact CG2-CG 3.93Å; K109-W112 HydrophobicContact CB-CB 4.46Å; K109-W112 WeakPolarHBondContact O-CB 3.47Å; K109-W112 PolarHBondContact O-N 2.79Å; K109-W112 VanDerWaalsContact O-N 3.09Å; P110-W112 PolarHBondContact O-N 2.7Å; W112-I114 HydrophobicContact CH2-CD1 3.7Å; W112-I114 HydrophobicContact CH2-CG1 3.61Å; W112-I114 HydrophobicContact CZ2-CG1 4.22Å; W112-I114 HydrophobicContact CZ3-CD1 4.02Å; W112-I114 HydrophobicContact CZ3-CG1 3.79Å; W112-T156 HydrophobicContact CZ2-CG2 4.36Å; W112-F193 AromaticContact CZ3-CE2 3.77Å; W112-F193 HydrophobicContact CZ3-CE2 3.77Å; W112-F193 AromaticContact CZ3-CZ 3.79Å; W112-F193 HydrophobicContact CZ3-CZ 3.79Å; W112-L197 HydrophobicContact CH2-CD2 3.97Å; W112-I248 HydrophobicContact CE3-CD1 4.31Å; W112-I248 HydrophobicContact CH2-CD1 4.32Å; W112-I248 HydrophobicContact CZ3-CD1 3.79Å; W112-W422 HydrophobicContact CZ2-CE3 4.29Å; W112-W422 PolarHBondContact NE1-O 3.15Å; W112-M424 HydrophobicContact CH2-CE 3.9Å; W112-M424 HydrophobicContact CH2-SD 4.37Å; W112-M424 HydrophobicContact CZ2-CE 3.85Å; W112-M424 HydrophobicContact CZ2-CG 4.15Å; W112-M424 HydrophobicContact CZ2-SD 3.89Å
113	R	87.5	Confident	90	Very high	128 Å²	128	55.7 Å²	55.7	48%	0.483	28%	0.275	S	S	.	.			trans	-132.2	146.9	178.4	-59.3	-68.6	-76.5	-84.1	-1.2	109.3	E111 F185	E111-R113 PolarHBondContact O-N 2.88Å; R113-F185 HydrophobicContact CB-CD1 4.05Å
114	I	90.3	Very high	89.7	Confident	0 Å²	0	61 Å²	61	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	124.1	171.7	-50.2	177.5	0	0	0	107.5	W112 F154 I186 F193 V196 W422	W112-I114 HydrophobicContact CH2-CD1 3.7Å; W112-I114 HydrophobicContact CH2-CG1 3.61Å; W112-I114 HydrophobicContact CZ2-CG1 4.22Å; W112-I114 HydrophobicContact CZ3-CD1 4.02Å; W112-I114 HydrophobicContact CZ3-CG1 3.79Å; I114-F154 HydrophobicContact CG2-CB 4.26Å; I114-I186 HydrophobicContact CB-CB 4.31Å; I114-I186 HydrophobicContact CB-CD1 4.27Å; I114-I186 HydrophobicContact CB-CG1 4.39Å; I114-I186 HydrophobicContact CG2-CD1 3.8Å; I114-I186 HydrophobicContact CG2-CG1 4.32Å; I114-I186 PolarHBondContact O-N 3.49Å; I114-F193 HydrophobicContact CD1-CD2 3.53Å; I114-F193 HydrophobicContact CD1-CE2 3.69Å; I114-F193 HydrophobicContact CD1-CG 4.37Å; I114-F193 HydrophobicContact CG1-CD2 4.2Å; I114-F193 HydrophobicContact CG1-CE2 4.07Å; I114-V196 HydrophobicContact CD1-CB 4.13Å; I114-V196 HydrophobicContact CD1-CG1 3.74Å; I114-V196 HydrophobicContact CG2-CG1 4.23Å; I114-W422 HydrophobicContact CG2-CZ3 4.32Å
115	V	91.3	Very high	89.4	Confident	3 Å²	3	62.4 Å²	62.4	2%	0.018	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	136.4	178.2	-160.3	0	0	0	0	109.2	Y117 F154 T155 K158 F182 F185	V115-Y117 HydrophobicContact CB-CD2 4.46Å; V115-Y117 HydrophobicContact CB-CE2 3.75Å; V115-Y117 HydrophobicContact CG1-CD2 4.17Å; V115-Y117 HydrophobicContact CG1-CE2 3.37Å; V115-F154 WeakPolarHBondContact O-CA 3.25Å; V115-T155 PolarHBondContact N-O 2.67Å; V115-T155 PolarHBondContact O-N 2.62Å; V115-K158 HydrophobicContact CG2-CB 4.42Å; V115-F182 HydrophobicContact CG1-CD2 3.92Å; V115-F182 HydrophobicContact CG1-CE2 3.6Å; V115-F185 HydrophobicContact CG1-CD1 4.48Å; V115-F185 HydrophobicContact CG1-CE1 4.49Å; V115-F185 HydrophobicContact CG2-CD1 4.05Å; V115-F185 HydrophobicContact CG2-CE1 3.98Å
116	H	92.5	Very high	88.9	Confident	14 Å²	14	66 Å²	66	7%	0.065	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	130.6	179.8	177.5	-151.8	0	0	0	110.3	Q152 F154 V183 G184 I186	H116-Q152 PolarHBondContact NE2-OE1 2.7Å; H116-F154 HydrophobicContact CB-CD1 4.01Å; H116-F154 HydrophobicContact CB-CE1 3.99Å; H116-F154 AromaticContact CD2-CD1 3.81Å; H116-F154 AromaticContact CD2-CE1 3.31Å; H116-F154 WeakPolarHBondContact CD2-CE1 3.4Å; H116-F154 AromaticContact CG-CE1 3.57Å; H116-F154 AromaticContact NE2-CE1 3.95Å; H116-V183 WeakPolarHBondContact O-CB 3.39Å; H116-V183 PolarHBondContact O-N 3.46Å; H116-G184 PolarHBondContact N-O 2.85Å; H116-G184 PolarHBondContact O-N 2.94Å; H116-I186 HydrophobicContact CB-CD1 4.46Å; H116-I186 HydrophobicContact CB-CG1 4.12Å
117	Y	92.4	Very high	88.5	Confident	1 Å²	1	69.7 Å²	69.7	0%	0.004	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	150.8	178.5	-66.8	-85	0	0	0	111.4	V115 L153 T155 K158 F159 I180 K181 F182	V115-Y117 HydrophobicContact CB-CD2 4.46Å; V115-Y117 HydrophobicContact CB-CE2 3.75Å; V115-Y117 HydrophobicContact CG1-CD2 4.17Å; V115-Y117 HydrophobicContact CG1-CE2 3.37Å; Y117-L153 HydrophobicContact CD2-CD2 4.42Å; Y117-L153 HydrophobicContact CG-CD2 4.44Å; Y117-L153 PolarHBondContact N-O 2.76Å; Y117-L153 PolarHBondContact O-N 3.42Å; Y117-T155 HydrophobicContact CD2-CG2 4.04Å; Y117-T155 HydrophobicContact CE2-CG2 3.84Å; Y117-K158 WeakPolarHBondContact OH-CA 3.42Å; Y117-F159 HydrophobicContact CD1-CD2 4.26Å; Y117-F159 AromaticContact CE1-CD2 3.61Å; Y117-F159 HydrophobicContact CE1-CD2 3.61Å; Y117-F159 HydrophobicContact CE1-CE2 4.34Å; Y117-F159 HydrophobicContact CE2-CD2 4.01Å; Y117-F159 HydrophobicContact CE2-CE2 4.17Å; Y117-F159 AromaticContact CZ-CD2 3.48Å; Y117-F159 VanDerWaalsContact CZ-CD2 3.48Å; Y117-F159 PolarHBondContact OH-N 2.86Å; Y117-I180 HydrophobicContact CD1-CG2 3.69Å; Y117-I180 HydrophobicContact CG-CG2 3.86Å; Y117-K181 CarbonylContact C-O 3.57Å; Y117-K181 VanDerWaalsContact CA-O 3.23Å; Y117-K181 WeakPolarHBondContact CA-O 3.23Å; Y117-K181 WeakPolarHBondContact CD1-O 3.33Å; Y117-F182 VanDerWaalsContact CD1-CA 3.5Å; Y117-F182 HydrophobicContact CD1-CB 4.15Å; Y117-F182 HydrophobicContact CE1-CB 3.82Å; Y117-F182 AromaticContact CE1-CD2 3.77Å; Y117-F182 HydrophobicContact CE1-CD2 3.77Å; Y117-F182 HydrophobicContact CE1-CG 4.29Å; Y117-F182 AromaticContact CZ-CD2 3.96Å
118	H	93.4	Very high	88.1	Confident	47 Å²	47	68.3 Å²	68.3	22%	0.218	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	143.8	166	-161.5	72	0	0	0	109.8	E120 L151 Q152 I180 K181 V183	H118-E120 IonicContact CD2-OE1 3.5Å; H118-L151 VanDerWaalsContact CE1-CD1 3.48Å; H118-L151 WeakPolarHBondContact CE1-CD1 3.49Å; H118-L151 VanDerWaalsContact CE1-CG 3.43Å; H118-L151 WeakPolarHBondContact CE1-CG 3.36Å; H118-Q152 PolarHBondContact ND1-OE1 2.83Å; H118-I180 CarbonylContact O-C 3.56Å; H118-I180 WeakPolarHBondContact O-CA 3.29Å; H118-K181 HydrophobicContact CB-CB 4.45Å; H118-K181 PolarHBondContact N-O 3.04Å; H118-K181 PolarHBondContact O-N 2.8Å; H118-V183 HydrophobicContact CB-CG2 3.95Å
119	V	93	Very high	88	Confident	0 Å²	0	75.6 Å²	75.6	0%	0	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	115.2	-175.9	-168.4	0	0	0	0	111.7	F121 L135 F148 L151 L153 I178 S179 I180	V119-F121 HydrophobicContact CB-CE2 4.27Å; V119-F121 HydrophobicContact CG1-CD2 4.43Å; V119-F121 HydrophobicContact CG1-CE2 3.59Å; V119-F121 HydrophobicContact CG1-CZ 3.67Å; V119-L135 HydrophobicContact CG1-CD1 4.39Å; V119-F148 HydrophobicContact CB-CE2 3.65Å; V119-F148 HydrophobicContact CB-CZ 4.02Å; V119-F148 HydrophobicContact CG1-CE2 4.23Å; V119-F148 HydrophobicContact CG1-CZ 4.17Å; V119-F148 HydrophobicContact CG2-CD2 4.19Å; V119-F148 HydrophobicContact CG2-CE2 3.64Å; V119-F148 HydrophobicContact CG2-CZ 4.39Å; V119-L151 PolarHBondContact N-O 3.42Å; V119-L153 HydrophobicContact CG2-CB 3.53Å; V119-L153 HydrophobicContact CG2-CD2 4.06Å; V119-L153 HydrophobicContact CG2-CG 4.44Å; V119-I178 HydrophobicContact CG1-CG2 3.37Å; V119-S179 WeakPolarHBondContact CA-O 3.43Å; V119-I180 HydrophobicContact CG1-CG1 4.26Å; V119-I180 HydrophobicContact CG2-CG1 4.44Å
120	E	92.6	Very high	88.1	Confident	72 Å²	72	73.1 Å²	73.1	34%	0.336	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	155.2	174.7	-73.6	158.5	-145.2	0	0	111.1	H118 I178 S179 K181	H118-E120 IonicContact CD2-OE1 3.5Å; E120-I178 WeakPolarHBondContact O-CA 3.21Å; E120-S179 PolarHBondContact N-O 3.13Å; E120-S179 PolarHBondContact O-N 3.23Å; E120-K181 WeakPolarHBondContact OE1-CE 3.43Å; E120-K181 IonicContact OE1-NZ 2.67Å; E120-K181 PolarHBondContact OE1-NZ 3.32Å; E120-K181 WeakPolarHBondContact OE2-CE 3.14Å; E120-K181 IonicContact OE2-NZ 2.7Å; E120-K181 PolarHBondContact OE2-NZ 2.69Å
121	F	91.9	Very high	88.6	Confident	11 Å²	11	68.4 Å²	68.4	5%	0.048	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	131.2	-178.3	-61.3	-101.6	0	0	0	109.5	V119 P123 I125 R131 V134 L135 F148 I178	V119-F121 HydrophobicContact CB-CE2 4.27Å; V119-F121 HydrophobicContact CG1-CD2 4.43Å; V119-F121 HydrophobicContact CG1-CE2 3.59Å; V119-F121 HydrophobicContact CG1-CZ 3.67Å; F121-P123 CarbonylContact C-O 3.35Å; F121-P123 CarbonylContact O-C 3.54Å; F121-I125 HydrophobicContact CB-CD1 4.35Å; F121-I125 HydrophobicContact CD1-CD1 4.07Å; F121-I125 HydrophobicContact CG-CD1 4.38Å; F121-R131 HydrophobicContact CD2-CB 4.32Å; F121-R131 HydrophobicContact CD2-CG 3.89Å; F121-R131 HydrophobicContact CE1-CB 4.21Å; F121-R131 HydrophobicContact CE2-CB 3.78Å; F121-R131 HydrophobicContact CE2-CG 3.84Å; F121-R131 HydrophobicContact CG-CG 4.32Å; F121-R131 HydrophobicContact CZ-CB 3.72Å; F121-R131 HydrophobicContact CZ-CG 4.2Å; F121-V134 HydrophobicContact CD1-CG1 4.14Å; F121-V134 HydrophobicContact CE1-CB 4.34Å; F121-V134 HydrophobicContact CE1-CG1 3.98Å; F121-L135 HydrophobicContact CZ-CB 4.35Å; F121-F148 HydrophobicContact CE2-CE1 4.42Å; F121-F148 AromaticContact CE2-CZ 3.81Å; F121-F148 HydrophobicContact CE2-CZ 3.81Å; F121-F148 AromaticContact CZ-CE1 3.99Å; F121-F148 HydrophobicContact CZ-CE1 3.99Å; F121-F148 AromaticContact CZ-CZ 3.76Å; F121-F148 HydrophobicContact CZ-CZ 3.76Å; F121-I178 HydrophobicContact CD1-CG1 4.07Å; F121-I178 HydrophobicContact CD1-CG2 4.33Å; F121-I178 HydrophobicContact CE1-CD1 4.07Å; F121-I178 HydrophobicContact CE1-CG1 4.05Å; F121-I178 HydrophobicContact CE1-CG2 4.03Å; F121-I178 HydrophobicContact CZ-CG2 4.26Å
122	V	90.6	Very high	89	Confident	98 Å²	98	63.7 Å²	63.7	59%	0.594	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.3	122.6	170.7	-179.7	0	0	0	0	107.3	Y176 K177	V122-Y176 CarbonylContact O-C 3.6Å; V122-Y176 VanDerWaalsContact O-CA 3.23Å; V122-Y176 WeakPolarHBondContact O-CA 3.38Å; V122-K177 PolarHBondContact N-O 2.94Å; V122-K177 PolarHBondContact O-N 3.38Å
123	P	88.6	Confident	89	Confident	70 Å²	70	64 Å²	64	46%	0.455	33%	0.327	S	S	.	.	S	Bend	cis	-65.8	159.9	-4.3	29.7	-36.3	0	0	0	113.1	F121 I125 I174 E175	F121-P123 CarbonylContact C-O 3.35Å; F121-P123 CarbonylContact O-C 3.54Å; P123-I125 PolarHBondContact O-N 2.8Å; P123-I174 HydrophobicContact CG-CG2 4.31Å; P123-E175 WeakPolarHBondContact CD-O 3.28Å
124	T	88.4	Confident	89.1	Confident	118 Å²	118	58.7 Å²	58.7	72%	0.724	31%	0.308	S	S	*	.			trans	-67	104.6	-176.5	-54.2	0	0	0	0	111.9
125	I	86.6	Confident	89	Confident	31 Å²	31	58.7 Å²	58.7	16%	0.159	31%	0.308	C	S	.	.			trans	-82.2	118.5	174.4	-58.6	169.7	0	0	0	109	F121 P123 V130 R131 V134	F121-I125 HydrophobicContact CB-CD1 4.35Å; F121-I125 HydrophobicContact CD1-CD1 4.07Å; F121-I125 HydrophobicContact CG-CD1 4.38Å; P123-I125 PolarHBondContact O-N 2.8Å; I125-V130 HydrophobicContact CD1-CG1 4.38Å; I125-V130 HydrophobicContact CG2-CB 3.72Å; I125-V130 HydrophobicContact CG2-CG1 3.79Å; I125-R131 HydrophobicContact CB-CG 3.86Å; I125-R131 HydrophobicContact CG2-CG 3.81Å; I125-R131 VanDerWaalsContact O-CZ 3.26Å; I125-R131 PolarHBondContact O-NE 2.81Å; I125-R131 PolarHBondContact O-NH2 3.4Å; I125-V134 HydrophobicContact CD1-CB 4.5Å; I125-V134 HydrophobicContact CD1-CG2 4.04Å
126	E	84.9	Confident	88.8	Confident	173 Å²	173	61 Å²	61	81%	0.808	33%	0.325	S	S	*	.			trans	-72.1	-38	176.4	-67.4	-156.2	140.6	0	0	113.7	P128	E126-P128 VanDerWaalsContact O-CD 3.3Å; E126-P128 WeakPolarHBondContact O-CD 3.2Å
127	N	84.4	Confident	88.6	Confident	81 Å²	81	65.4 Å²	65.4	43%	0.433	35%	0.348	S	S	.	.			trans	-82.8	115	-169.8	-173	-28.1	0	0	0	111.7	R129 V130 R131	N127-R129 PolarHBondContact O-N 3.11Å; N127-R129 VanDerWaalsContact O-N 3.16Å; N127-R129 WeakPolarHBondContact OD1-CB 3.22Å; N127-R129 PolarHBondContact OD1-N 3.27Å; N127-V130 HydrophobicContact CB-CB 4.29Å; N127-V130 HydrophobicContact CB-CG2 3.91Å; N127-V130 PolarHBondContact O-N 2.96Å; N127-R131 PolarHBondContact O-N 2.87Å
128	P	83.3	Confident	88.4	Confident	59 Å²	59	67.1 Å²	67.1	38%	0.383	36%	0.356	S	S	.	.	H	α-helix	trans	-60.5	-30.1	-177	-25.4	36.2	0	0	0	113.8	E126 V130 R131 M132	E126-P128 VanDerWaalsContact O-CD 3.3Å; E126-P128 WeakPolarHBondContact O-CD 3.2Å; P128-V130 VanDerWaalsContact C-N 3.31Å; P128-V130 PolarHBondContact O-N 2.89Å; P128-R131 WeakPolarHBondContact O-CB 3.28Å; P128-R131 PolarHBondContact O-N 2.98Å; P128-M132 WeakPolarHBondContact O-CB 3.35Å; P128-M132 VanDerWaalsContact O-CG 3.24Å; P128-M132 WeakPolarHBondContact O-CG 3.34Å; P128-M132 PolarHBondContact O-N 2.95Å
129	R	85.6	Confident	87.8	Confident	208 Å²	208	66.2 Å²	66.2	79%	0.785	36%	0.357	S	S	*	.	H	α-helix	trans	-67.5	-33.6	177.3	-62	-177	-175	153.4	5.1	112.2	N127 G133	N127-R129 PolarHBondContact O-N 3.11Å; N127-R129 VanDerWaalsContact O-N 3.16Å; N127-R129 WeakPolarHBondContact OD1-CB 3.22Å; N127-R129 PolarHBondContact OD1-N 3.27Å; R129-G133 PolarHBondContact O-N 3.36Å
130	V	86.8	Confident	87.2	Confident	72 Å²	72	73.8 Å²	73.8	44%	0.436	40%	0.398	S	S	.	.	H	α-helix	trans	-72.1	-43.5	176.1	-178.7	0	0	0	0	109.5	I125 N127 P128 M132 G133 V134	I125-V130 HydrophobicContact CD1-CG1 4.38Å; I125-V130 HydrophobicContact CG2-CB 3.72Å; I125-V130 HydrophobicContact CG2-CG1 3.79Å; N127-V130 HydrophobicContact CB-CB 4.29Å; N127-V130 HydrophobicContact CB-CG2 3.91Å; N127-V130 PolarHBondContact O-N 2.96Å; P128-V130 VanDerWaalsContact C-N 3.31Å; P128-V130 PolarHBondContact O-N 2.89Å; V130-M132 VanDerWaalsContact C-N 3.32Å; V130-M132 PolarHBondContact O-N 2.89Å; V130-G133 PolarHBondContact O-N 3.17Å; V130-V134 HydrophobicContact CG1-CG2 4.34Å; V130-V134 WeakPolarHBondContact O-CB 3.45Å; V130-V134 WeakPolarHBondContact O-CG2 3.24Å; V130-V134 PolarHBondContact O-N 3.09Å
131	R	88.8	Confident	86.7	Confident	44 Å²	44	73.6 Å²	73.6	17%	0.166	40%	0.399	C	S	.	.	H	α-helix	trans	-54.1	-46.8	170.3	-64.5	-176.6	-174.8	-160.1	-5	112.3	F121 I125 N127 P128 V134 L135 F148 G150	F121-R131 HydrophobicContact CD2-CB 4.32Å; F121-R131 HydrophobicContact CD2-CG 3.89Å; F121-R131 HydrophobicContact CE1-CB 4.21Å; F121-R131 HydrophobicContact CE2-CB 3.78Å; F121-R131 HydrophobicContact CE2-CG 3.84Å; F121-R131 HydrophobicContact CG-CG 4.32Å; F121-R131 HydrophobicContact CZ-CB 3.72Å; F121-R131 HydrophobicContact CZ-CG 4.2Å; I125-R131 HydrophobicContact CB-CG 3.86Å; I125-R131 HydrophobicContact CG2-CG 3.81Å; I125-R131 VanDerWaalsContact O-CZ 3.26Å; I125-R131 PolarHBondContact O-NE 2.81Å; I125-R131 PolarHBondContact O-NH2 3.4Å; N127-R131 PolarHBondContact O-N 2.87Å; P128-R131 WeakPolarHBondContact O-CB 3.28Å; P128-R131 PolarHBondContact O-N 2.98Å; R131-V134 PolarHBondContact O-N 2.94Å; R131-L135 WeakPolarHBondContact O-CB 3.25Å; R131-L135 PolarHBondContact O-N 2.71Å; R131-F148 HydrophobicContact CB-CE1 4.18Å; R131-G150 WeakPolarHBondContact CD-O 3.32Å; R131-G150 PolarHBondContact NH1-O 3.09Å
132	M	88.1	Confident	86.1	Confident	82 Å²	82	73 Å²	73	40%	0.404	40%	0.396	S	S	.	.	H	α-helix	trans	-62.6	-40.9	177.9	-70.6	171.6	72.3	0	0	112.5	P128 V130 S136 F148	P128-M132 WeakPolarHBondContact O-CB 3.35Å; P128-M132 VanDerWaalsContact O-CG 3.24Å; P128-M132 WeakPolarHBondContact O-CG 3.34Å; P128-M132 PolarHBondContact O-N 2.95Å; V130-M132 VanDerWaalsContact C-N 3.32Å; V130-M132 PolarHBondContact O-N 2.89Å; M132-S136 WeakPolarHBondContact O-CB 3.26Å; M132-S136 PolarHBondContact O-N 2.76Å; M132-S136 PolarHBondContact O-OG 3.35Å; M132-F148 HydrophobicContact CB-CD1 4.27Å; M132-F148 WeakPolarHBondContact CE-O 3.49Å; M132-F148 HydrophobicContact CG-CD1 3.71Å; M132-F148 HydrophobicContact CG-CE1 4.09Å
133	G	87.5	Confident	85.3	Confident	33 Å²	33	69.4 Å²	69.4	34%	0.34	38%	0.378	S	S	.	.	H	α-helix	trans	-64.1	-48.8	174.4	0	0	0	0	0	112.5	R129 V130 L135 S136 N137	R129-G133 PolarHBondContact O-N 3.36Å; V130-G133 PolarHBondContact O-N 3.17Å; G133-L135 PolarHBondContact O-N 3.41Å; G133-S136 PolarHBondContact O-N 2.97Å; G133-S136 VanDerWaalsContact O-N 3.09Å; G133-S136 PolarHBondContact O-OG 3.32Å; G133-N137 PolarHBondContact O-N 3.42Å
134	V	89.1	Confident	84.6	Confident	15 Å²	15	69.5 Å²	69.5	9%	0.091	38%	0.381	C	S	.	.	H	α-helix	trans	-58.1	-47.4	177.3	168.6	0	0	0	0	111.2	F121 I125 V130 R131 S136 N137 Y176 I178	F121-V134 HydrophobicContact CD1-CG1 4.14Å; F121-V134 HydrophobicContact CE1-CB 4.34Å; F121-V134 HydrophobicContact CE1-CG1 3.98Å; I125-V134 HydrophobicContact CD1-CB 4.5Å; I125-V134 HydrophobicContact CD1-CG2 4.04Å; V130-V134 HydrophobicContact CG1-CG2 4.34Å; V130-V134 WeakPolarHBondContact O-CB 3.45Å; V130-V134 WeakPolarHBondContact O-CG2 3.24Å; V130-V134 PolarHBondContact O-N 3.09Å; R131-V134 PolarHBondContact O-N 2.94Å; V134-S136 VanDerWaalsContact C-N 3.31Å; V134-S136 PolarHBondContact O-N 2.95Å; V134-N137 WeakPolarHBondContact O-CB 3.41Å; V134-N137 PolarHBondContact O-N 3.24Å; V134-Y176 HydrophobicContact CG1-CD1 4.09Å; V134-Y176 HydrophobicContact CG1-CD2 3.58Å; V134-Y176 HydrophobicContact CG1-CE1 3.99Å; V134-Y176 HydrophobicContact CG1-CE2 3.5Å; V134-Y176 VanDerWaalsContact CG1-CE2 3.5Å; V134-Y176 HydrophobicContact CG1-CG 3.91Å; V134-I178 HydrophobicContact CG1-CD1 4.03Å; V134-I178 HydrophobicContact CG1-CG1 4.45Å
135	L	89.3	Confident	84.2	Confident	0 Å²	0	64 Å²	64	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-65.7	-32.5	176.2	-170.5	69	0	0	0	112.4	V119 F121 R131 G133 N137 H138 L142 Y146 F148 L153 I178 I180	V119-L135 HydrophobicContact CG1-CD1 4.39Å; F121-L135 HydrophobicContact CZ-CB 4.35Å; R131-L135 WeakPolarHBondContact O-CB 3.25Å; R131-L135 PolarHBondContact O-N 2.71Å; G133-L135 PolarHBondContact O-N 3.41Å; L135-N137 PolarHBondContact O-N 3.3Å; L135-H138 PolarHBondContact O-N 2.92Å; L135-L142 HydrophobicContact CD1-CD1 4.23Å; L135-L142 HydrophobicContact CD1-CD2 4.36Å; L135-L142 HydrophobicContact CD2-CD1 4.17Å; L135-L142 HydrophobicContact CG-CD1 3.85Å; L135-Y146 HydrophobicContact CD2-CE2 4.47Å; L135-F148 HydrophobicContact CB-CD1 4.18Å; L135-F148 HydrophobicContact CB-CE1 4.05Å; L135-F148 HydrophobicContact CD2-CB 4.03Å; L135-F148 HydrophobicContact CD2-CD1 3.36Å; L135-F148 HydrophobicContact CD2-CD2 3.76Å; L135-F148 HydrophobicContact CD2-CE1 3.63Å; L135-F148 HydrophobicContact CD2-CE2 4.03Å; L135-F148 HydrophobicContact CD2-CG 3.44Å; L135-F148 VanDerWaalsContact CD2-CG 3.44Å; L135-F148 HydrophobicContact CD2-CZ 3.96Å; L135-F148 HydrophobicContact CG-CD1 4.38Å; L135-F148 HydrophobicContact CG-CE1 4.47Å; L135-L153 HydrophobicContact CD2-CD1 4.4Å; L135-I178 HydrophobicContact CD1-CD1 3.89Å; L135-I178 HydrophobicContact CD1-CG2 4.09Å; L135-I180 HydrophobicContact CD1-CD1 4.18Å
136	S	87.7	Confident	84.4	Confident	53 Å²	53	64.1 Å²	64.1	37%	0.371	35%	0.346	S	S	.	.	H	α-helix	trans	-67.5	-20.8	179.4	72.6	0	0	0	0	114.6	M132 G133 V134 H138 A139 Y146	M132-S136 WeakPolarHBondContact O-CB 3.26Å; M132-S136 PolarHBondContact O-N 2.76Å; M132-S136 PolarHBondContact O-OG 3.35Å; G133-S136 PolarHBondContact O-N 2.97Å; G133-S136 VanDerWaalsContact O-N 3.09Å; G133-S136 PolarHBondContact O-OG 3.32Å; V134-S136 VanDerWaalsContact C-N 3.31Å; V134-S136 PolarHBondContact O-N 2.95Å; S136-H138 PolarHBondContact O-N 3.06Å; S136-A139 WeakPolarHBondContact O-CB 3.47Å; S136-A139 PolarHBondContact O-N 3.25Å; S136-Y146 WeakPolarHBondContact CA-OH 3.4Å; S136-Y146 WeakPolarHBondContact CB-OH 3.26Å
137	N	87.6	Confident	84.6	Confident	105 Å²	105	57.1 Å²	57.1	56%	0.561	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-25.9	169.5	-60.7	-25.9	0	0	0	112	G133 V134 L135	G133-N137 PolarHBondContact O-N 3.42Å; V134-N137 WeakPolarHBondContact O-CB 3.41Å; V134-N137 PolarHBondContact O-N 3.24Å; L135-N137 PolarHBondContact O-N 3.3Å
138	H	87.1	Confident	84.8	Confident	37 Å²	37	54.1 Å²	54.1	17%	0.171	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	11.6	-177.8	-63.1	-88.4	0	0	0	113.2	L135 S136 N140 L141 L166 S167 Y176	L135-H138 PolarHBondContact O-N 2.92Å; S136-H138 PolarHBondContact O-N 3.06Å; H138-N140 PolarHBondContact O-N 3.36Å; H138-L141 PolarHBondContact O-N 3.36Å; H138-L166 HydrophobicContact CB-CD1 3.82Å; H138-S167 PolarHBondContact CE1-O 2.84Å; H138-Y176 AromaticContact NE2-CE2 3.56Å; H138-Y176 AromaticContact NE2-CZ 3.77Å; H138-Y176 PolarHBondContact NE2-OH 2.88Å; H138-Y176 VanDerWaalsContact NE2-OH 3.08Å
139	A	81.6	Confident	84.7	Confident	29 Å²	29	55 Å²	55	24%	0.24	30%	0.298	C	S	.	.	H	α-helix	trans	-51.8	-34.8	-173.7	0	0	0	0	0	114.1	S136 L141 L142 G143 Y146	S136-A139 WeakPolarHBondContact O-CB 3.47Å; S136-A139 PolarHBondContact O-N 3.25Å; A139-L141 PolarHBondContact O-N 3.25Å; A139-L142 PolarHBondContact O-N 3Å; A139-G143 PolarHBondContact O-N 3.3Å; A139-Y146 HydrophobicContact CB-CE1 3.93Å
140	N	80.9	Confident	84.5	Confident	158 Å²	158	45.2 Å²	45.2	85%	0.845	26%	0.263	S	S	*	.	H	α-helix	trans	-55.6	-34.5	176.9	-62.1	-3.5	0	0	0	112.8	H138	H138-N140 PolarHBondContact O-N 3.36Å
141	L	81.3	Confident	84.4	Confident	68 Å²	68	44.9 Å²	44.9	36%	0.356	26%	0.258	S	S	.	.	H	α-helix	trans	-82.3	-36.1	179.7	-158.3	79.5	0	0	0	112.2	H138 A139 G143 R157 F159 T164 L166	H138-L141 PolarHBondContact O-N 3.36Å; A139-L141 PolarHBondContact O-N 3.25Å; L141-G143 PolarHBondContact O-N 2.87Å; L141-R157 VanDerWaalsContact O-CD 3.31Å; L141-R157 WeakPolarHBondContact O-CD 3.46Å; L141-R157 PolarHBondContact O-NH1 3.27Å; L141-F159 HydrophobicContact CD2-CE1 4.4Å; L141-F159 HydrophobicContact CG-CE1 4.28Å; L141-T164 HydrophobicContact CD2-CG2 4.45Å; L141-L166 HydrophobicContact CD2-CD1 4.22Å; L141-L166 HydrophobicContact CD2-CD2 3.38Å; L141-L166 HydrophobicContact CD2-CG 4.44Å
142	L	79.4	Confident	84.5	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-66.2	-16.2	-178.7	-50.8	178.5	0	0	0	113.5	L135 A139 Y146 L153 T155 F159 I180	L135-L142 HydrophobicContact CD1-CD1 4.23Å; L135-L142 HydrophobicContact CD1-CD2 4.36Å; L135-L142 HydrophobicContact CD2-CD1 4.17Å; L135-L142 HydrophobicContact CG-CD1 3.85Å; A139-L142 PolarHBondContact O-N 3Å; L142-Y146 HydrophobicContact CB-CD1 4.08Å; L142-Y146 HydrophobicContact CB-CG 4.24Å; L142-Y146 HydrophobicContact CD1-CD1 3.95Å; L142-Y146 HydrophobicContact CD1-CD2 3.91Å; L142-Y146 HydrophobicContact CD1-CE1 3.87Å; L142-Y146 HydrophobicContact CD1-CE2 3.81Å; L142-Y146 HydrophobicContact CD1-CG 3.99Å; L142-L153 HydrophobicContact CD2-CD2 4.18Å; L142-T155 PolarHBondContact O-OG1 3.27Å; L142-F159 HydrophobicContact CD2-CZ 4.06Å; L142-I180 HydrophobicContact CD2-CD1 3.9Å
143	G	74.2	Confident	84.6	Confident	21 Å²	21	40.7 Å²	40.7	22%	0.216	24%	0.239	C	C	.	.			trans	90.7	163.2	-169.9	0	0	0	0	0	111.9	A139 L141 G145	A139-G143 PolarHBondContact O-N 3.3Å; L141-G143 PolarHBondContact O-N 2.87Å; G143-G145 VanDerWaalsContact C-N 3.27Å; G143-G145 PolarHBondContact O-N 2.87Å
144	S	73.4	Confident	84.8	Confident	73 Å²	73	40.6 Å²	40.6	51%	0.51	23%	0.23	S	C	.	.	S	Bend	trans	-53.8	-40.7	-177	43.3	0	0	0	0	113.7	D421	S144-D421 PolarHBondContact OG-O 3.2Å
145	G	81.5	Confident	85	Confident	1 Å²	1	39.9 Å²	39.9	1%	0.01	23%	0.225	C	C	.	.			trans	-115.4	105.7	-175.3	0	0	0	0	0	112.3	G143 D421	G143-G145 VanDerWaalsContact C-N 3.27Å; G143-G145 PolarHBondContact O-N 2.87Å; G145-D421 VanDerWaalsContact CA-O 3.24Å; G145-D421 WeakPolarHBondContact CA-O 3.48Å; G145-D421 PolarHBondContact N-O 2.94Å
146	Y	90.4	Very high	84.9	Confident	34 Å²	34	41.6 Å²	41.6	13%	0.133	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	157.3	169.5	78.8	-83.5	0	0	0	112.6	L135 S136 A139 L142 F148 L153 F154 R203	L135-Y146 HydrophobicContact CD2-CE2 4.47Å; S136-Y146 WeakPolarHBondContact CA-OH 3.4Å; S136-Y146 WeakPolarHBondContact CB-OH 3.26Å; A139-Y146 HydrophobicContact CB-CE1 3.93Å; L142-Y146 HydrophobicContact CB-CD1 4.08Å; L142-Y146 HydrophobicContact CB-CG 4.24Å; L142-Y146 HydrophobicContact CD1-CD1 3.95Å; L142-Y146 HydrophobicContact CD1-CD2 3.91Å; L142-Y146 HydrophobicContact CD1-CE1 3.87Å; L142-Y146 HydrophobicContact CD1-CE2 3.81Å; L142-Y146 HydrophobicContact CD1-CG 3.99Å; Y146-F148 HydrophobicContact CD2-CB 4.05Å; Y146-F148 HydrophobicContact CE2-CB 3.98Å; Y146-L153 HydrophobicContact CD2-CD1 3.68Å; Y146-L153 HydrophobicContact CG-CD1 4.22Å; Y146-F154 CarbonylContact C-O 3.59Å; Y146-F154 VanDerWaalsContact CA-O 3.24Å; Y146-F154 WeakPolarHBondContact CA-O 3.27Å; Y146-R203 PolarHBondContact O-NH1 3.32Å
147	L	88.9	Confident	84.9	Confident	26 Å²	26	44 Å²	44	14%	0.136	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	136.9	169.4	-74.1	171.3	0	0	0	108.2	L153 F154 V196 L199 I200 W422	L147-L153 WeakPolarHBondContact O-CA 3.48Å; L147-F154 HydrophobicContact CB-CB 4.42Å; L147-F154 HydrophobicContact CB-CD2 4.38Å; L147-F154 PolarHBondContact N-O 2.87Å; L147-F154 PolarHBondContact O-N 2.77Å; L147-V196 HydrophobicContact CD1-CG1 4.05Å; L147-L199 HydrophobicContact CD1-CB 3.49Å; L147-L199 VanDerWaalsContact CD1-CB 3.49Å; L147-L199 HydrophobicContact CD1-CD1 4.07Å; L147-L199 HydrophobicContact CD1-CG 4.44Å; L147-L199 HydrophobicContact CD2-CB 4.19Å; L147-I200 HydrophobicContact CD1-CG1 4.24Å; L147-W422 HydrophobicContact CB-CZ2 4.28Å; L147-W422 HydrophobicContact CD1-CZ2 4.17Å; L147-W422 HydrophobicContact CG-CH2 4.5Å; L147-W422 HydrophobicContact CG-CZ2 3.81Å
148	F	88	Confident	84.9	Confident	19 Å²	19	44.8 Å²	44.8	8%	0.083	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	135.1	179.8	-179.8	-122.3	0	0	0	109.7	V119 F121 R131 M132 L135 Y146 Q152 L153	V119-F148 HydrophobicContact CB-CE2 3.65Å; V119-F148 HydrophobicContact CB-CZ 4.02Å; V119-F148 HydrophobicContact CG1-CE2 4.23Å; V119-F148 HydrophobicContact CG1-CZ 4.17Å; V119-F148 HydrophobicContact CG2-CD2 4.19Å; V119-F148 HydrophobicContact CG2-CE2 3.64Å; V119-F148 HydrophobicContact CG2-CZ 4.39Å; F121-F148 HydrophobicContact CE2-CE1 4.42Å; F121-F148 AromaticContact CE2-CZ 3.81Å; F121-F148 HydrophobicContact CE2-CZ 3.81Å; F121-F148 AromaticContact CZ-CE1 3.99Å; F121-F148 HydrophobicContact CZ-CE1 3.99Å; F121-F148 AromaticContact CZ-CZ 3.76Å; F121-F148 HydrophobicContact CZ-CZ 3.76Å; R131-F148 HydrophobicContact CB-CE1 4.18Å; M132-F148 HydrophobicContact CB-CD1 4.27Å; M132-F148 WeakPolarHBondContact CE-O 3.49Å; M132-F148 HydrophobicContact CG-CD1 3.71Å; M132-F148 HydrophobicContact CG-CE1 4.09Å; L135-F148 HydrophobicContact CB-CD1 4.18Å; L135-F148 HydrophobicContact CB-CE1 4.05Å; L135-F148 HydrophobicContact CD2-CB 4.03Å; L135-F148 HydrophobicContact CD2-CD1 3.36Å; L135-F148 HydrophobicContact CD2-CD2 3.76Å; L135-F148 HydrophobicContact CD2-CE1 3.63Å; L135-F148 HydrophobicContact CD2-CE2 4.03Å; L135-F148 HydrophobicContact CD2-CG 3.44Å; L135-F148 VanDerWaalsContact CD2-CG 3.44Å; L135-F148 HydrophobicContact CD2-CZ 3.96Å; L135-F148 HydrophobicContact CG-CD1 4.38Å; L135-F148 HydrophobicContact CG-CE1 4.47Å; Y146-F148 HydrophobicContact CD2-CB 4.05Å; Y146-F148 HydrophobicContact CE2-CB 3.98Å; F148-Q152 WeakPolarHBondContact CA-O 3.31Å; F148-Q152 VanDerWaalsContact CD2-O 3.27Å; F148-Q152 WeakPolarHBondContact CD2-O 3.24Å; F148-L153 HydrophobicContact CB-CD1 4.31Å; F148-L153 HydrophobicContact CD2-CB 3.95Å
149	D	80.6	Confident	85	Confident	77 Å²	77	43.8 Å²	43.8	41%	0.412	23%	0.23	S	C	.	.			trans	-106.3	-4.1	-177.8	69.7	-1	0	0	0	114.2	L151 Q152	D149-L151 PolarHBondContact OD1-N 2.98Å; D149-Q152 PolarHBondContact N-O 3.46Å; D149-Q152 PolarHBondContact OD1-N 2.9Å
150	G	81.9	Confident	85.2	Confident	3 Å²	3	51.5 Å²	51.5	3%	0.031	26%	0.261	C	S	.	.	S	Bend	trans	108.7	-5.6	-170.3	0	0	0	0	0	114.2	R131	R131-G150 WeakPolarHBondContact CD-O 3.32Å; R131-G150 PolarHBondContact NH1-O 3.09Å
151	L	86.1	Confident	85.4	Confident	65 Å²	65	49.9 Å²	49.9	34%	0.34	25%	0.248	S	C	.	.	S	Bend	trans	-146.6	-44	178.3	-170.5	72.8	0	0	0	112.9	H118 V119 D149	H118-L151 VanDerWaalsContact CE1-CD1 3.48Å; H118-L151 WeakPolarHBondContact CE1-CD1 3.49Å; H118-L151 VanDerWaalsContact CE1-CG 3.43Å; H118-L151 WeakPolarHBondContact CE1-CG 3.36Å; V119-L151 PolarHBondContact N-O 3.42Å; D149-L151 PolarHBondContact OD1-N 2.98Å
152	Q	89.9	Confident	85.5	Confident	38 Å²	38	53.5 Å²	53.5	18%	0.178	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	128.4	-177.5	-50.6	-63.6	-11.1	0	0	110	H116 H118 F148 D149 F154	H116-Q152 PolarHBondContact NE2-OE1 2.7Å; H118-Q152 PolarHBondContact ND1-OE1 2.83Å; F148-Q152 WeakPolarHBondContact CA-O 3.31Å; F148-Q152 VanDerWaalsContact CD2-O 3.27Å; F148-Q152 WeakPolarHBondContact CD2-O 3.24Å; D149-Q152 PolarHBondContact N-O 3.46Å; D149-Q152 PolarHBondContact OD1-N 2.9Å; Q152-F154 HydrophobicContact CB-CE2 4.26Å; Q152-F154 HydrophobicContact CB-CZ 4.16Å
153	L	90.9	Very high	86	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	132.7	179.9	166.8	68.4	0	0	0	110.1	Y117 V119 L135 L142 Y146 L147 F148 I180	Y117-L153 HydrophobicContact CD2-CD2 4.42Å; Y117-L153 HydrophobicContact CG-CD2 4.44Å; Y117-L153 PolarHBondContact N-O 2.76Å; Y117-L153 PolarHBondContact O-N 3.42Å; V119-L153 HydrophobicContact CG2-CB 3.53Å; V119-L153 HydrophobicContact CG2-CD2 4.06Å; V119-L153 HydrophobicContact CG2-CG 4.44Å; L135-L153 HydrophobicContact CD2-CD1 4.4Å; L142-L153 HydrophobicContact CD2-CD2 4.18Å; Y146-L153 HydrophobicContact CD2-CD1 3.68Å; Y146-L153 HydrophobicContact CG-CD1 4.22Å; L147-L153 WeakPolarHBondContact O-CA 3.48Å; F148-L153 HydrophobicContact CB-CD1 4.31Å; F148-L153 HydrophobicContact CD2-CB 3.95Å; L153-I180 HydrophobicContact CD2-CD1 4.39Å; L153-I180 HydrophobicContact CD2-CG2 3.92Å
154	F	91.9	Very high	86.7	Confident	31 Å²	31	57 Å²	57	14%	0.136	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	130.3	173.9	-51.5	-71.3	0	0	0	109.9	I114 V115 H116 Y146 L147 Q152 I186 V196 W422	I114-F154 HydrophobicContact CG2-CB 4.26Å; V115-F154 WeakPolarHBondContact O-CA 3.25Å; H116-F154 HydrophobicContact CB-CD1 4.01Å; H116-F154 HydrophobicContact CB-CE1 3.99Å; H116-F154 AromaticContact CD2-CD1 3.81Å; H116-F154 AromaticContact CD2-CE1 3.31Å; H116-F154 WeakPolarHBondContact CD2-CE1 3.4Å; H116-F154 AromaticContact CG-CE1 3.57Å; H116-F154 AromaticContact NE2-CE1 3.95Å; Y146-F154 CarbonylContact C-O 3.59Å; Y146-F154 VanDerWaalsContact CA-O 3.24Å; Y146-F154 WeakPolarHBondContact CA-O 3.27Å; L147-F154 HydrophobicContact CB-CB 4.42Å; L147-F154 HydrophobicContact CB-CD2 4.38Å; L147-F154 PolarHBondContact N-O 2.87Å; L147-F154 PolarHBondContact O-N 2.77Å; Q152-F154 HydrophobicContact CB-CE2 4.26Å; Q152-F154 HydrophobicContact CB-CZ 4.16Å; F154-I186 HydrophobicContact CD1-CD1 3.68Å; F154-I186 HydrophobicContact CE1-CD1 3.76Å; F154-V196 HydrophobicContact CB-CG2 4.22Å; F154-V196 HydrophobicContact CD1-CG2 4.16Å; F154-V196 HydrophobicContact CD2-CG2 3.91Å; F154-V196 HydrophobicContact CE2-CG2 4.3Å; F154-V196 HydrophobicContact CG-CG2 3.82Å; F154-W422 HydrophobicContact CB-CH2 4.24Å; F154-W422 WeakPolarHBondContact O-CH2 3.47Å
155	T	91.6	Very high	87.4	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	166.4	178.1	175.1	0	0	0	0	109.9	V115 Y117 L142 R157	V115-T155 PolarHBondContact N-O 2.67Å; V115-T155 PolarHBondContact O-N 2.62Å; Y117-T155 HydrophobicContact CD2-CG2 4.04Å; Y117-T155 HydrophobicContact CE2-CG2 3.84Å; L142-T155 PolarHBondContact O-OG1 3.27Å; T155-R157 WeakPolarHBondContact CG2-O 3.44Å; T155-R157 PolarHBondContact OG1-N 3.13Å; T155-R157 VanDerWaalsContact OG1-N 3.1Å
156	T	88	Confident	87.8	Confident	35 Å²	35	58.3 Å²	58.3	22%	0.215	28%	0.281	C	S	.	.	S	Bend	trans	-88.8	-10	168.3	61.4	0	0	0	0	113	W112 W422 N423	W112-T156 HydrophobicContact CZ2-CG2 4.36Å; T156-W422 HydrophobicContact CG2-CE3 3.66Å; T156-W422 HydrophobicContact CG2-CZ3 4.05Å; T156-N423 PolarHBondContact OG1-ND2 3.2Å
157	R	87.6	Confident	87.8	Confident	105 Å²	105	60.4 Å²	60.4	40%	0.396	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-83.8	126.9	176.8	-172.1	179.8	-172.8	167.7	6.4	110	L141 T155	L141-R157 VanDerWaalsContact O-CD 3.31Å; L141-R157 WeakPolarHBondContact O-CD 3.46Å; L141-R157 PolarHBondContact O-NH1 3.27Å; T155-R157 WeakPolarHBondContact CG2-O 3.44Å; T155-R157 PolarHBondContact OG1-N 3.13Å; T155-R157 VanDerWaalsContact OG1-N 3.1Å
158	K	88.1	Confident	87.6	Confident	121 Å²	121	60.2 Å²	60.2	53%	0.526	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-85.4	127.8	161.1	-157.7	-155	177	-166.4	0	108.6	V115 Y117 F185	V115-K158 HydrophobicContact CG2-CB 4.42Å; Y117-K158 WeakPolarHBondContact OH-CA 3.42Å; K158-F185 HydrophobicContact CD-CZ 4.14Å; K158-F185 HydrophobicContact CG-CZ 4.43Å
159	F	88.6	Confident	87.4	Confident	15 Å²	15	64.1 Å²	64.1	7%	0.066	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-75.3	151.5	162.3	-58.9	-63.7	0	0	0	110.6	Y117 L141 L142 T164 I180	Y117-F159 HydrophobicContact CD1-CD2 4.26Å; Y117-F159 AromaticContact CE1-CD2 3.61Å; Y117-F159 HydrophobicContact CE1-CD2 3.61Å; Y117-F159 HydrophobicContact CE1-CE2 4.34Å; Y117-F159 HydrophobicContact CE2-CD2 4.01Å; Y117-F159 HydrophobicContact CE2-CE2 4.17Å; Y117-F159 AromaticContact CZ-CD2 3.48Å; Y117-F159 VanDerWaalsContact CZ-CD2 3.48Å; Y117-F159 PolarHBondContact OH-N 2.86Å; L141-F159 HydrophobicContact CD2-CE1 4.4Å; L141-F159 HydrophobicContact CG-CE1 4.28Å; L142-F159 HydrophobicContact CD2-CZ 4.06Å; F159-T164 WeakPolarHBondContact CB-OG1 3.41Å; F159-I180 HydrophobicContact CD2-CG2 4.39Å; F159-I180 HydrophobicContact CE2-CG2 4.06Å
160	E	85.3	Confident	87.5	Confident	191 Å²	191	62.2 Å²	62.2	89%	0.893	31%	0.314	S	S	*	.	S	Bend	trans	-72.9	-39.9	177.8	-69.8	155.8	-146.1	0	0	111.5
161	Q	85.4	Confident	87.3	Confident	124 Å²	124	72.4 Å²	72.4	58%	0.579	36%	0.358	S	S	*	.	S	Bend	trans	-85.3	137.7	179.8	-64.2	167.4	-5.5	0	0	111	I163	Q161-I163 VanDerWaalsContact C-N 3.27Å; Q161-I163 PolarHBondContact O-N 3.08Å
162	E	83.6	Confident	87	Confident	144 Å²	144	76 Å²	76	67%	0.673	38%	0.377	S	S	*	.	S	Bend	trans	-64.2	-33	175	-174.8	171.5	-142.7	0	0	112.2	K181 F182	E162-K181 CarbonylContact O-C 3.5Å; E162-K181 WeakPolarHBondContact O-CA 3.1Å; E162-F182 HydrophobicContact CG-CB 4.26Å; E162-F182 PolarHBondContact O-N 2.82Å
163	I	89.8	Confident	86.7	Confident	83 Å²	83	79.1 Å²	79.1	43%	0.426	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	110.8	170.1	-53.2	-174.4	0	0	0	108.4	Q161 V165 S179 I180 K181	Q161-I163 VanDerWaalsContact C-N 3.27Å; Q161-I163 PolarHBondContact O-N 3.08Å; I163-V165 HydrophobicContact CG2-CG2 4.19Å; I163-S179 VanDerWaalsContact CG2-OG 3.31Å; I163-S179 WeakPolarHBondContact CG2-OG 3.48Å; I163-I180 WeakPolarHBondContact CA-O 3.43Å; I163-K181 HydrophobicContact CD1-CD 4.47Å; I163-K181 HydrophobicContact CD1-CG 4.22Å; I163-K181 HydrophobicContact CG1-CG 4.07Å; I163-K181 HydrophobicContact CG2-CG 4.18Å
164	T	89	Confident	86.4	Confident	12 Å²	12	83.7 Å²	83.7	7%	0.074	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	121.5	172.9	-57	0	0	0	0	109.1	L141 F159 L166 I180	L141-T164 HydrophobicContact CD2-CG2 4.45Å; F159-T164 WeakPolarHBondContact CB-OG1 3.41Å; T164-L166 HydrophobicContact CG2-CD2 3.94Å; T164-I180 PolarHBondContact N-O 2.96Å; T164-I180 PolarHBondContact O-N 3.1Å
165	V	89.4	Confident	86.3	Confident	84 Å²	84	88.2 Å²	88.2	51%	0.509	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	126.7	179.4	-178	0	0	0	0	110.5	I163 I178	I163-V165 HydrophobicContact CG2-CG2 4.19Å; V165-I178 CarbonylContact C-O 3.56Å; V165-I178 WeakPolarHBondContact CA-O 3.48Å
166	L	88.9	Confident	86.3	Confident	17 Å²	17	88.8 Å²	88.8	9%	0.089	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	128	179	-50.3	-179.6	0	0	0	110.5	H138 L141 T164 K177 I178 I180	H138-L166 HydrophobicContact CB-CD1 3.82Å; L141-L166 HydrophobicContact CD2-CD1 4.22Å; L141-L166 HydrophobicContact CD2-CD2 3.38Å; L141-L166 HydrophobicContact CD2-CG 4.44Å; T164-L166 HydrophobicContact CG2-CD2 3.94Å; L166-K177 CarbonylContact O-C 3.59Å; L166-K177 WeakPolarHBondContact O-CA 3.43Å; L166-I178 HydrophobicContact CB-CB 4.23Å; L166-I178 PolarHBondContact N-O 3.06Å; L166-I178 PolarHBondContact O-N 3.1Å; L166-I180 HydrophobicContact CD1-CD1 3.69Å; L166-I180 HydrophobicContact CG-CD1 4.31Å
167	S	89.4	Confident	86.4	Confident	78 Å²	78	92.8 Å²	92.8	55%	0.545	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	152.4	177.7	-58.8	0	0	0	0	111	H138 Y176	H138-S167 PolarHBondContact CE1-O 2.84Å; S167-Y176 WeakPolarHBondContact CA-O 3.46Å
168	G	86.6	Confident	86.7	Confident	22 Å²	22	87.8 Å²	87.8	23%	0.227	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.5	171.5	169.6	0	0	0	0	0	112.9	E175 Y176	G168-E175 WeakPolarHBondContact O-CA 3.17Å; G168-Y176 PolarHBondContact N-O 2.85Å; G168-Y176 VanDerWaalsContact O-CD1 3.24Å; G168-Y176 WeakPolarHBondContact O-CD1 3.36Å; G168-Y176 WeakPolarHBondContact O-CE1 3.47Å; G168-Y176 PolarHBondContact O-N 3.43Å
169	K	83.9	Confident	86.9	Confident	102 Å²	102	83.2 Å²	83.2	44%	0.443	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	145.5	173.9	-70.2	-166.3	169.9	-165.1	0	111.8	D173 E175 Y176	K169-D173 WeakPolarHBondContact CD-O 3.3Å; K169-D173 VanDerWaalsContact CD-OD1 3.25Å; K169-D173 WeakPolarHBondContact CD-OD1 3.47Å; K169-D173 IonicContact NZ-OD1 3.7Å; K169-D173 IonicContact NZ-OD2 2.68Å; K169-D173 PolarHBondContact NZ-OD2 2.89Å; K169-E175 HydrophobicContact CD-CG 4.27Å; K169-E175 VanDerWaalsContact CE-OE1 3.3Å; K169-E175 WeakPolarHBondContact CE-OE1 3.37Å; K169-E175 HydrophobicContact CG-CG 3.74Å; K169-Y176 VanDerWaalsContact C-CE1 3.48Å; K169-Y176 WeakPolarHBondContact O-CE1 3.47Å
170	S	80.9	Confident	87.2	Confident	36 Å²	36	82.5 Å²	82.5	25%	0.252	42%	0.417	S	S	.	.			trans	-80.8	175.6	175.6	76.8	0	0	0	0	111.7	L172 D173 I174	S170-L172 PolarHBondContact O-N 2.7Å; S170-L172 VanDerWaalsContact O-N 3.1Å; S170-L172 PolarHBondContact OG-N 2.82Å; S170-L172 VanDerWaalsContact OG-N 3.13Å; S170-D173 PolarHBondContact O-N 2.82Å; S170-D173 VanDerWaalsContact O-N 3.08Å; S170-I174 WeakPolarHBondContact CB-O 3.33Å; S170-I174 PolarHBondContact N-O 2.94Å; S170-I174 WeakPolarHBondContact OG-CB 3.41Å; S170-I174 PolarHBondContact OG-N 2.53Å; S170-I174 PolarHBondContact OG-O 2.93Å
171	K	78.8	Confident	87.6	Confident	218 Å²	218	76.5 Å²	76.5	95%	0.948	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-4.5	170.9	-66	-166.4	175.2	-166.3	0	114.4
172	L	80.4	Confident	88	Confident	141 Å²	141	73.3 Å²	73.3	74%	0.738	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.3	22	175.8	-59	174.3	0	0	0	110.7	S170 I174	S170-L172 PolarHBondContact O-N 2.7Å; S170-L172 VanDerWaalsContact O-N 3.1Å; S170-L172 PolarHBondContact OG-N 2.82Å; S170-L172 VanDerWaalsContact OG-N 3.13Å; L172-I174 HydrophobicContact CB-CD1 4.22Å; L172-I174 HydrophobicContact CB-CG1 4.21Å; L172-I174 PolarHBondContact O-N 2.87Å
173	D	81.8	Confident	88.4	Confident	103 Å²	103	70.1 Å²	70.1	55%	0.551	36%	0.363	S	S	*	.	S	Bend	trans	58.1	-9.2	-174	-146.2	61.5	0	0	0	116.9	K169 S170 E175	K169-D173 WeakPolarHBondContact CD-O 3.3Å; K169-D173 VanDerWaalsContact CD-OD1 3.25Å; K169-D173 WeakPolarHBondContact CD-OD1 3.47Å; K169-D173 IonicContact NZ-OD1 3.7Å; K169-D173 IonicContact NZ-OD2 2.68Å; K169-D173 PolarHBondContact NZ-OD2 2.89Å; S170-D173 PolarHBondContact O-N 2.82Å; S170-D173 VanDerWaalsContact O-N 3.08Å; D173-E175 PolarHBondContact O-N 3.33Å; D173-E175 VanDerWaalsContact O-N 3.15Å
174	I	86.3	Confident	88.5	Confident	95 Å²	95	67 Å²	67	49%	0.487	35%	0.351	S	S	.	.			trans	-51.5	121	173.7	-52.2	171.5	0	0	0	109.9	P123 S170 L172	P123-I174 HydrophobicContact CG-CG2 4.31Å; S170-I174 WeakPolarHBondContact CB-O 3.33Å; S170-I174 PolarHBondContact N-O 2.94Å; S170-I174 WeakPolarHBondContact OG-CB 3.41Å; S170-I174 PolarHBondContact OG-N 2.53Å; S170-I174 PolarHBondContact OG-O 2.93Å; L172-I174 HydrophobicContact CB-CD1 4.22Å; L172-I174 HydrophobicContact CB-CG1 4.21Å; L172-I174 PolarHBondContact O-N 2.87Å
175	E	89.4	Confident	88.5	Confident	126 Å²	126	70.7 Å²	70.7	59%	0.589	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.9	139.6	171.8	-75.5	-175.4	-170.2	0	0	111.4	P123 G168 K169 D173	P123-E175 WeakPolarHBondContact CD-O 3.28Å; G168-E175 WeakPolarHBondContact O-CA 3.17Å; K169-E175 HydrophobicContact CD-CG 4.27Å; K169-E175 VanDerWaalsContact CE-OE1 3.3Å; K169-E175 WeakPolarHBondContact CE-OE1 3.37Å; K169-E175 HydrophobicContact CG-CG 3.74Å; D173-E175 PolarHBondContact O-N 3.33Å; D173-E175 VanDerWaalsContact O-N 3.15Å
176	Y	90.6	Very high	88.5	Confident	13 Å²	13	66.9 Å²	66.9	5%	0.051	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	148.4	170.7	62.8	-96.5	0	0	0	110.9	V122 V134 H138 S167 G168 K169 I178	V122-Y176 CarbonylContact O-C 3.6Å; V122-Y176 VanDerWaalsContact O-CA 3.23Å; V122-Y176 WeakPolarHBondContact O-CA 3.38Å; V134-Y176 HydrophobicContact CG1-CD1 4.09Å; V134-Y176 HydrophobicContact CG1-CD2 3.58Å; V134-Y176 HydrophobicContact CG1-CE1 3.99Å; V134-Y176 HydrophobicContact CG1-CE2 3.5Å; V134-Y176 VanDerWaalsContact CG1-CE2 3.5Å; V134-Y176 HydrophobicContact CG1-CG 3.91Å; H138-Y176 AromaticContact NE2-CE2 3.56Å; H138-Y176 AromaticContact NE2-CZ 3.77Å; H138-Y176 PolarHBondContact NE2-OH 2.88Å; H138-Y176 VanDerWaalsContact NE2-OH 3.08Å; S167-Y176 WeakPolarHBondContact CA-O 3.46Å; G168-Y176 PolarHBondContact N-O 2.85Å; G168-Y176 VanDerWaalsContact O-CD1 3.24Å; G168-Y176 WeakPolarHBondContact O-CD1 3.36Å; G168-Y176 WeakPolarHBondContact O-CE1 3.47Å; G168-Y176 PolarHBondContact O-N 3.43Å; K169-Y176 VanDerWaalsContact C-CE1 3.48Å; K169-Y176 WeakPolarHBondContact O-CE1 3.47Å; Y176-I178 HydrophobicContact CD2-CD1 4.24Å; Y176-I178 HydrophobicContact CD2-CG1 3.77Å; Y176-I178 HydrophobicContact CE2-CD1 3.93Å; Y176-I178 HydrophobicContact CE2-CG1 3.95Å
177	K	91.8	Very high	88.2	Confident	119 Å²	119	68.9 Å²	68.9	52%	0.517	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	127.5	167.9	-63.2	-179.2	-177.6	176.9	0	108.4	V122 L166	V122-K177 PolarHBondContact N-O 2.94Å; V122-K177 PolarHBondContact O-N 3.38Å; L166-K177 CarbonylContact O-C 3.59Å; L166-K177 WeakPolarHBondContact O-CA 3.43Å
178	I	93.4	Very high	87.5	Confident	0 Å²	0	68 Å²	68	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	129.2	173.8	-44.3	-179.1	0	0	0	107.2	V119 E120 F121 V134 L135 V165 L166 Y176 I180	V119-I178 HydrophobicContact CG1-CG2 3.37Å; E120-I178 WeakPolarHBondContact O-CA 3.21Å; F121-I178 HydrophobicContact CD1-CG1 4.07Å; F121-I178 HydrophobicContact CD1-CG2 4.33Å; F121-I178 HydrophobicContact CE1-CD1 4.07Å; F121-I178 HydrophobicContact CE1-CG1 4.05Å; F121-I178 HydrophobicContact CE1-CG2 4.03Å; F121-I178 HydrophobicContact CZ-CG2 4.26Å; V134-I178 HydrophobicContact CG1-CD1 4.03Å; V134-I178 HydrophobicContact CG1-CG1 4.45Å; L135-I178 HydrophobicContact CD1-CD1 3.89Å; L135-I178 HydrophobicContact CD1-CG2 4.09Å; V165-I178 CarbonylContact C-O 3.56Å; V165-I178 WeakPolarHBondContact CA-O 3.48Å; L166-I178 HydrophobicContact CB-CB 4.23Å; L166-I178 PolarHBondContact N-O 3.06Å; L166-I178 PolarHBondContact O-N 3.1Å; Y176-I178 HydrophobicContact CD2-CD1 4.24Å; Y176-I178 HydrophobicContact CD2-CG1 3.77Å; Y176-I178 HydrophobicContact CE2-CD1 3.93Å; Y176-I178 HydrophobicContact CE2-CG1 3.95Å; I178-I180 HydrophobicContact CG2-CG1 4.05Å
179	S	92.5	Very high	86.7	Confident	24 Å²	24	69.6 Å²	69.6	17%	0.168	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	113.1	173	-175.7	0	0	0	0	109.2	V119 E120 I163	V119-S179 WeakPolarHBondContact CA-O 3.43Å; E120-S179 PolarHBondContact N-O 3.13Å; E120-S179 PolarHBondContact O-N 3.23Å; I163-S179 VanDerWaalsContact CG2-OG 3.31Å; I163-S179 WeakPolarHBondContact CG2-OG 3.48Å
180	I	93.8	Very high	86.4	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	102	-179.5	-56.6	177.4	0	0	0	107.9	Y117 H118 V119 L135 L142 L153 F159 I163 T164 L166 I178	Y117-I180 HydrophobicContact CD1-CG2 3.69Å; Y117-I180 HydrophobicContact CG-CG2 3.86Å; H118-I180 CarbonylContact O-C 3.56Å; H118-I180 WeakPolarHBondContact O-CA 3.29Å; V119-I180 HydrophobicContact CG1-CG1 4.26Å; V119-I180 HydrophobicContact CG2-CG1 4.44Å; L135-I180 HydrophobicContact CD1-CD1 4.18Å; L142-I180 HydrophobicContact CD2-CD1 3.9Å; L153-I180 HydrophobicContact CD2-CD1 4.39Å; L153-I180 HydrophobicContact CD2-CG2 3.92Å; F159-I180 HydrophobicContact CD2-CG2 4.39Å; F159-I180 HydrophobicContact CE2-CG2 4.06Å; I163-I180 WeakPolarHBondContact CA-O 3.43Å; T164-I180 PolarHBondContact N-O 2.96Å; T164-I180 PolarHBondContact O-N 3.1Å; L166-I180 HydrophobicContact CD1-CD1 3.69Å; L166-I180 HydrophobicContact CG-CD1 4.31Å; I178-I180 HydrophobicContact CG2-CG1 4.05Å
181	K	93.6	Very high	86.3	Confident	66 Å²	66	68 Å²	68	29%	0.287	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	130.2	-177.3	-55.4	179.3	-177.3	167.3	0	110.3	Y117 H118 E120 E162 I163	Y117-K181 CarbonylContact C-O 3.57Å; Y117-K181 VanDerWaalsContact CA-O 3.23Å; Y117-K181 WeakPolarHBondContact CA-O 3.23Å; Y117-K181 WeakPolarHBondContact CD1-O 3.33Å; H118-K181 HydrophobicContact CB-CB 4.45Å; H118-K181 PolarHBondContact N-O 3.04Å; H118-K181 PolarHBondContact O-N 2.8Å; E120-K181 WeakPolarHBondContact OE1-CE 3.43Å; E120-K181 IonicContact OE1-NZ 2.67Å; E120-K181 PolarHBondContact OE1-NZ 3.32Å; E120-K181 WeakPolarHBondContact OE2-CE 3.14Å; E120-K181 IonicContact OE2-NZ 2.7Å; E120-K181 PolarHBondContact OE2-NZ 2.69Å; E162-K181 CarbonylContact O-C 3.5Å; E162-K181 WeakPolarHBondContact O-CA 3.1Å; I163-K181 HydrophobicContact CD1-CD 4.47Å; I163-K181 HydrophobicContact CD1-CG 4.22Å; I163-K181 HydrophobicContact CG1-CG 4.07Å; I163-K181 HydrophobicContact CG2-CG 4.18Å
182	F	93.8	Very high	86.5	Confident	57 Å²	57	63.4 Å²	63.4	25%	0.25	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	137.7	174.4	178.5	-100.3	0	0	0	110.6	V115 Y117 E162 F185	V115-F182 HydrophobicContact CG1-CD2 3.92Å; V115-F182 HydrophobicContact CG1-CE2 3.6Å; Y117-F182 VanDerWaalsContact CD1-CA 3.5Å; Y117-F182 HydrophobicContact CD1-CB 4.15Å; Y117-F182 HydrophobicContact CE1-CB 3.82Å; Y117-F182 AromaticContact CE1-CD2 3.77Å; Y117-F182 HydrophobicContact CE1-CD2 3.77Å; Y117-F182 HydrophobicContact CE1-CG 4.29Å; Y117-F182 AromaticContact CZ-CD2 3.96Å; E162-F182 HydrophobicContact CG-CB 4.26Å; E162-F182 PolarHBondContact O-N 2.82Å; F182-F185 HydrophobicContact CZ-CD2 4.33Å; F182-F185 HydrophobicContact CZ-CE2 4.09Å
183	V	92.3	Very high	86.8	Confident	77 Å²	77	56.9 Å²	56.9	47%	0.467	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	-35.7	176.8	-177	0	0	0	0	111.1	H116 H118	H116-V183 WeakPolarHBondContact O-CB 3.39Å; H116-V183 PolarHBondContact O-N 3.46Å; H118-V183 HydrophobicContact CB-CG2 3.95Å
184	G	91.4	Very high	86.9	Confident	18 Å²	18	52.9 Å²	52.9	19%	0.186	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	156.8	-169.2	176.4	0	0	0	0	0	114.3	H116	H116-G184 PolarHBondContact N-O 2.85Å; H116-G184 PolarHBondContact O-N 2.94Å
185	F	90.6	Very high	86.8	Confident	89 Å²	89	51.1 Å²	51.1	39%	0.39	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	135.1	168	-60.5	-80.4	0	0	0	109.6	R113 V115 K158 F182 S187	R113-F185 HydrophobicContact CB-CD1 4.05Å; V115-F185 HydrophobicContact CG1-CD1 4.48Å; V115-F185 HydrophobicContact CG1-CE1 4.49Å; V115-F185 HydrophobicContact CG2-CD1 4.05Å; V115-F185 HydrophobicContact CG2-CE1 3.98Å; K158-F185 HydrophobicContact CD-CZ 4.14Å; K158-F185 HydrophobicContact CG-CZ 4.43Å; F182-F185 HydrophobicContact CZ-CD2 4.33Å; F182-F185 HydrophobicContact CZ-CE2 4.09Å; F185-S187 PolarHBondContact O-N 3.19Å
186	I	88.4	Confident	86.8	Confident	3 Å²	3	45.2 Å²	45.2	2%	0.015	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	125.9	172.8	-49.2	-176.9	0	0	0	108.9	I114 H116 F154 E190 R192 F193 V196	I114-I186 HydrophobicContact CB-CB 4.31Å; I114-I186 HydrophobicContact CB-CD1 4.27Å; I114-I186 HydrophobicContact CB-CG1 4.39Å; I114-I186 HydrophobicContact CG2-CD1 3.8Å; I114-I186 HydrophobicContact CG2-CG1 4.32Å; I114-I186 PolarHBondContact O-N 3.49Å; H116-I186 HydrophobicContact CB-CD1 4.46Å; H116-I186 HydrophobicContact CB-CG1 4.12Å; F154-I186 HydrophobicContact CD1-CD1 3.68Å; F154-I186 HydrophobicContact CE1-CD1 3.76Å; I186-E190 WeakPolarHBondContact CA-OE1 3.34Å; I186-E190 HydrophobicContact CG2-CB 3.87Å; I186-E190 HydrophobicContact CG2-CG 4.46Å; I186-R192 HydrophobicContact CD1-CB 4.28Å; I186-R192 HydrophobicContact CG2-CB 4.01Å; I186-F193 HydrophobicContact CG2-CB 3.81Å; I186-F193 HydrophobicContact CG2-CD2 4.35Å; I186-V196 HydrophobicContact CD1-CG2 4.21Å
187	S	81.9	Confident	86.8	Confident	59 Å²	59	44.6 Å²	44.6	41%	0.413	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-73.7	144.7	171.6	177.7	0	0	0	0	111.3	F185 A189 E190 F193	F185-S187 PolarHBondContact O-N 3.19Å; S187-A189 PolarHBondContact O-N 3.38Å; S187-A189 PolarHBondContact OG-N 3.19Å; S187-E190 PolarHBondContact N-OE1 3.49Å; S187-E190 WeakPolarHBondContact O-CB 3.42Å; S187-E190 PolarHBondContact O-N 3.48Å; S187-F193 WeakPolarHBondContact O-CB 3.46Å
188	C	74.6	Confident	86.6	Confident	59 Å²	59	40.1 Å²	40.1	40%	0.399	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-18.3	176.1	-54.5	0	0	0	0	113.4	F193 Q243	C188-F193 HydrophobicContact CB-CD1 4.35Å; C188-F193 HydrophobicContact CB-CE1 4.07Å; C188-F193 HydrophobicContact CB-CE2 4.43Å; C188-F193 HydrophobicContact CB-CZ 4.1Å; C188-F193 VanDerWaalsContact SG-CZ 3.57Å; C188-Q243 HydrophobicContact CB-CG 4.35Å
189	A	70.2	Confident	86.2	Confident	57 Å²	57	43.9 Å²	43.9	47%	0.471	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-9.8	174.3	0	0	0	0	0	114.1	S187	S187-A189 PolarHBondContact O-N 3.38Å; S187-A189 PolarHBondContact OG-N 3.19Å
190	E	77.8	Confident	86.1	Confident	57 Å²	57	42.8 Å²	42.8	27%	0.266	23%	0.231	S	C	.	.	S	Bend	trans	-77.6	138.5	178.6	-80.8	176.3	-106.6	0	0	112.2	I186 S187 R192 F193	I186-E190 WeakPolarHBondContact CA-OE1 3.34Å; I186-E190 HydrophobicContact CG2-CB 3.87Å; I186-E190 HydrophobicContact CG2-CG 4.46Å; S187-E190 PolarHBondContact N-OE1 3.49Å; S187-E190 WeakPolarHBondContact O-CB 3.42Å; S187-E190 PolarHBondContact O-N 3.48Å; E190-R192 HydrophobicContact CB-CB 4.4Å; E190-R192 PolarHBondContact O-N 3.11Å; E190-R192 WeakPolarHBondContact OE2-CD 3.31Å; E190-R192 IonicContact OE2-NH1 3.6Å; E190-F193 VanDerWaalsContact O-CB 3.26Å; E190-F193 WeakPolarHBondContact O-CB 3.41Å; E190-F193 PolarHBondContact O-N 3.42Å
191	P	78	Confident	85.9	Confident	48 Å²	48	43.1 Å²	43.1	31%	0.312	23%	0.233	S	C	.	.	H	α-helix	trans	-55.2	-25.9	169.8	-28	36.6	0	0	0	114.4	F193 L194 Q195	P191-F193 VanDerWaalsContact C-N 3.35Å; P191-L194 PolarHBondContact O-N 3.2Å; P191-Q195 WeakPolarHBondContact O-CG 3.27Å; P191-Q195 PolarHBondContact O-N 3.02Å
192	R	83.9	Confident	85.5	Confident	121 Å²	121	46 Å²	46	46%	0.457	24%	0.242	S	C	.	.	H	α-helix	trans	-64.5	-35.6	175.2	-63.7	-179.5	-177.2	166.5	-1	112.6	I186 E190 L194 Q195 V196	I186-R192 HydrophobicContact CD1-CB 4.28Å; I186-R192 HydrophobicContact CG2-CB 4.01Å; E190-R192 HydrophobicContact CB-CB 4.4Å; E190-R192 PolarHBondContact O-N 3.11Å; E190-R192 WeakPolarHBondContact OE2-CD 3.31Å; E190-R192 IonicContact OE2-NH1 3.6Å; R192-L194 PolarHBondContact O-N 2.82Å; R192-Q195 WeakPolarHBondContact O-CB 3.41Å; R192-Q195 PolarHBondContact O-N 2.76Å; R192-V196 WeakPolarHBondContact O-CG2 3.39Å; R192-V196 PolarHBondContact O-N 2.78Å
193	F	87	Confident	85.2	Confident	4 Å²	4	48.2 Å²	48.2	2%	0.018	25%	0.249	C	C	.	.	H	α-helix	trans	-60.6	-47.5	176.5	-171	-101.7	0	0	0	110.4	W112 I114 I186 S187 C188 E190 P191 Q195 V196 L197 Q243 I248	W112-F193 AromaticContact CZ3-CE2 3.77Å; W112-F193 HydrophobicContact CZ3-CE2 3.77Å; W112-F193 AromaticContact CZ3-CZ 3.79Å; W112-F193 HydrophobicContact CZ3-CZ 3.79Å; I114-F193 HydrophobicContact CD1-CD2 3.53Å; I114-F193 HydrophobicContact CD1-CE2 3.69Å; I114-F193 HydrophobicContact CD1-CG 4.37Å; I114-F193 HydrophobicContact CG1-CD2 4.2Å; I114-F193 HydrophobicContact CG1-CE2 4.07Å; I186-F193 HydrophobicContact CG2-CB 3.81Å; I186-F193 HydrophobicContact CG2-CD2 4.35Å; S187-F193 WeakPolarHBondContact O-CB 3.46Å; C188-F193 HydrophobicContact CB-CD1 4.35Å; C188-F193 HydrophobicContact CB-CE1 4.07Å; C188-F193 HydrophobicContact CB-CE2 4.43Å; C188-F193 HydrophobicContact CB-CZ 4.1Å; C188-F193 VanDerWaalsContact SG-CZ 3.57Å; E190-F193 VanDerWaalsContact O-CB 3.26Å; E190-F193 WeakPolarHBondContact O-CB 3.41Å; E190-F193 PolarHBondContact O-N 3.42Å; P191-F193 VanDerWaalsContact C-N 3.35Å; F193-Q195 PolarHBondContact O-N 3Å; F193-V196 PolarHBondContact O-N 3.25Å; F193-L197 HydrophobicContact CD1-CD1 3.76Å; F193-L197 HydrophobicContact CD1-CG 4.43Å; F193-L197 HydrophobicContact CE1-CD1 3.55Å; F193-L197 HydrophobicContact CE1-CG 4.38Å; F193-L197 HydrophobicContact CZ-CD1 4.32Å; F193-L197 WeakPolarHBondContact O-CG 3.45Å; F193-L197 PolarHBondContact O-N 3.2Å; F193-Q243 HydrophobicContact CE1-CB 4.19Å; F193-I248 HydrophobicContact CE1-CD1 4.42Å; F193-I248 HydrophobicContact CZ-CD1 4.11Å
194	L	83.9	Confident	85.1	Confident	19 Å²	19	44.6 Å²	44.6	10%	0.099	23%	0.227	C	C	.	.	H	α-helix	trans	-63.2	-38.7	175.4	-178.4	61.5	0	0	0	112.4	Y76 P191 R192 N198 I241 R242	Y76-L194 HydrophobicContact CD1-CD2 3.68Å; Y76-L194 HydrophobicContact CE1-CD2 3.75Å; Y76-L194 HydrophobicContact CE1-CG 4.28Å; Y76-L194 HydrophobicContact CG-CD2 4.38Å; P191-L194 PolarHBondContact O-N 3.2Å; R192-L194 PolarHBondContact O-N 2.82Å; L194-N198 VanDerWaalsContact CD1-ND2 3.29Å; L194-N198 WeakPolarHBondContact CD1-ND2 3.33Å; L194-N198 WeakPolarHBondContact O-CB 3.38Å; L194-N198 PolarHBondContact O-N 3.19Å; L194-N198 PolarHBondContact O-ND2 2.86Å; L194-I241 WeakPolarHBondContact CD1-O 3.4Å; L194-R242 HydrophobicContact CD1-CB 4.45Å; L194-R242 HydrophobicContact CD1-CG 3.83Å
195	Q	84.3	Confident	85	Confident	57 Å²	57	44 Å²	44	27%	0.266	22%	0.22	S	C	.	.	H	α-helix	trans	-61.5	-48.2	174.4	-75	169.9	-17.9	0	0	111.6	D74 Y76 P191 R192 F193 N198 L199	D74-Q195 PolarHBondContact O-NE2 3.43Å; D74-Q195 VanDerWaalsContact O-NE2 3.07Å; Y76-Q195 HydrophobicContact CD2-CG 3.74Å; Y76-Q195 HydrophobicContact CE2-CG 3.55Å; P191-Q195 WeakPolarHBondContact O-CG 3.27Å; P191-Q195 PolarHBondContact O-N 3.02Å; R192-Q195 WeakPolarHBondContact O-CB 3.41Å; R192-Q195 PolarHBondContact O-N 2.76Å; F193-Q195 PolarHBondContact O-N 3Å; Q195-N198 PolarHBondContact O-N 3.22Å; Q195-L199 WeakPolarHBondContact O-CG 3.43Å; Q195-L199 PolarHBondContact O-N 3.48Å
196	V	89.2	Confident	84.8	Confident	2 Å²	2	47.6 Å²	47.6	1%	0.012	24%	0.235	C	C	.	.	H	α-helix	trans	-61.5	-48.5	177.5	170	0	0	0	0	111.3	I114 L147 F154 I186 R192 F193 N198 L199 I200 W422	I114-V196 HydrophobicContact CD1-CB 4.13Å; I114-V196 HydrophobicContact CD1-CG1 3.74Å; I114-V196 HydrophobicContact CG2-CG1 4.23Å; L147-V196 HydrophobicContact CD1-CG1 4.05Å; F154-V196 HydrophobicContact CB-CG2 4.22Å; F154-V196 HydrophobicContact CD1-CG2 4.16Å; F154-V196 HydrophobicContact CD2-CG2 3.91Å; F154-V196 HydrophobicContact CE2-CG2 4.3Å; F154-V196 HydrophobicContact CG-CG2 3.82Å; I186-V196 HydrophobicContact CD1-CG2 4.21Å; R192-V196 WeakPolarHBondContact O-CG2 3.39Å; R192-V196 PolarHBondContact O-N 2.78Å; F193-V196 PolarHBondContact O-N 3.25Å; V196-N198 VanDerWaalsContact C-N 3.3Å; V196-N198 PolarHBondContact O-N 2.76Å; V196-L199 WeakPolarHBondContact O-CB 3.42Å; V196-L199 PolarHBondContact O-N 3Å; V196-I200 HydrophobicContact CG1-CD1 3.77Å; V196-I200 HydrophobicContact CG1-CG1 4.32Å; V196-I200 WeakPolarHBondContact O-CG1 3.46Å; V196-I200 PolarHBondContact O-N 3.27Å; V196-W422 HydrophobicContact CG1-CH2 4.06Å; V196-W422 HydrophobicContact CG1-CZ3 4.12Å
197	L	89.9	Confident	84.8	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-56.8	-42.2	176.5	-72.7	179	0	0	0	112.4	W112 F193 L199 I200 L201 I241 I248 M424	W112-L197 HydrophobicContact CH2-CD2 3.97Å; F193-L197 HydrophobicContact CD1-CD1 3.76Å; F193-L197 HydrophobicContact CD1-CG 4.43Å; F193-L197 HydrophobicContact CE1-CD1 3.55Å; F193-L197 HydrophobicContact CE1-CG 4.38Å; F193-L197 HydrophobicContact CZ-CD1 4.32Å; F193-L197 WeakPolarHBondContact O-CG 3.45Å; F193-L197 PolarHBondContact O-N 3.2Å; L197-L199 VanDerWaalsContact C-N 3.32Å; L197-L199 PolarHBondContact O-N 3.09Å; L197-I200 HydrophobicContact CD2-CD1 4.48Å; L197-I200 PolarHBondContact O-N 3.05Å; L197-L201 WeakPolarHBondContact O-CB 3.43Å; L197-L201 PolarHBondContact O-N 2.98Å; L197-I241 HydrophobicContact CB-CD1 4.03Å; L197-I241 HydrophobicContact CB-CG1 4.15Å; L197-I241 HydrophobicContact CB-CG2 3.98Å; L197-I241 HydrophobicContact CD1-CG1 4.38Å; L197-I241 HydrophobicContact CD2-CD1 4.06Å; L197-I241 HydrophobicContact CG-CD1 4.46Å; L197-I248 HydrophobicContact CD1-CD1 4.34Å; L197-I248 HydrophobicContact CD1-CG1 4.45Å; L197-I248 HydrophobicContact CD1-CG2 4.03Å; L197-I248 HydrophobicContact CD2-CD1 4.2Å; L197-I248 HydrophobicContact CD2-CG2 4.37Å; L197-M424 HydrophobicContact CD2-CE 3.87Å; L197-M424 HydrophobicContact CD2-SD 4.47Å
198	N	87.8	Confident	85.1	Confident	26 Å²	26	46 Å²	46	14%	0.139	23%	0.227	C	C	.	.	H	α-helix	trans	-67.6	-30.5	176.4	-83.8	-89.1	0	0	0	112.9	L194 Q195 V196 R202	L194-N198 VanDerWaalsContact CD1-ND2 3.29Å; L194-N198 WeakPolarHBondContact CD1-ND2 3.33Å; L194-N198 WeakPolarHBondContact O-CB 3.38Å; L194-N198 PolarHBondContact O-N 3.19Å; L194-N198 PolarHBondContact O-ND2 2.86Å; Q195-N198 PolarHBondContact O-N 3.22Å; V196-N198 VanDerWaalsContact C-N 3.3Å; V196-N198 PolarHBondContact O-N 2.76Å; N198-R202 VanDerWaalsContact O-CB 3.28Å; N198-R202 WeakPolarHBondContact O-CB 3.49Å; N198-R202 WeakPolarHBondContact O-CD 3.38Å; N198-R202 WeakPolarHBondContact O-CG 3.48Å; N198-R202 PolarHBondContact O-N 3.46Å
199	L	86.4	Confident	85.8	Confident	78 Å²	78	48.2 Å²	48.2	41%	0.408	24%	0.235	S	C	.	.	H	α-helix	trans	-73.5	-40.6	174.3	-72.1	170.3	0	0	0	112.2	L147 Q195 V196 L197 R202 R203	L147-L199 HydrophobicContact CD1-CB 3.49Å; L147-L199 VanDerWaalsContact CD1-CB 3.49Å; L147-L199 HydrophobicContact CD1-CD1 4.07Å; L147-L199 HydrophobicContact CD1-CG 4.44Å; L147-L199 HydrophobicContact CD2-CB 4.19Å; Q195-L199 WeakPolarHBondContact O-CG 3.43Å; Q195-L199 PolarHBondContact O-N 3.48Å; V196-L199 WeakPolarHBondContact O-CB 3.42Å; V196-L199 PolarHBondContact O-N 3Å; L197-L199 VanDerWaalsContact C-N 3.32Å; L197-L199 PolarHBondContact O-N 3.09Å; L199-R202 PolarHBondContact O-N 3.21Å; L199-R203 WeakPolarHBondContact O-CB 3.5Å; L199-R203 PolarHBondContact O-N 3.49Å
200	I	89.6	Confident	86.7	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-59.4	-50.9	172.3	-62.8	163.3	0	0	0	109.7	L147 V196 L197 R202 R203 S204 V418 L419 W422 M424	L147-I200 HydrophobicContact CD1-CG1 4.24Å; V196-I200 HydrophobicContact CG1-CD1 3.77Å; V196-I200 HydrophobicContact CG1-CG1 4.32Å; V196-I200 WeakPolarHBondContact O-CG1 3.46Å; V196-I200 PolarHBondContact O-N 3.27Å; L197-I200 HydrophobicContact CD2-CD1 4.48Å; L197-I200 PolarHBondContact O-N 3.05Å; I200-R202 PolarHBondContact O-N 3.07Å; I200-R203 PolarHBondContact O-N 3.41Å; I200-R203 VanDerWaalsContact O-N 3.09Å; I200-S204 PolarHBondContact O-N 2.93Å; I200-V418 HydrophobicContact CG2-CG1 4.45Å; I200-L419 HydrophobicContact CG2-CD2 4.32Å; I200-W422 HydrophobicContact CD1-CD2 3.44Å; I200-W422 VanDerWaalsContact CD1-CD2 3.44Å; I200-W422 HydrophobicContact CD1-CE3 3.41Å; I200-W422 VanDerWaalsContact CD1-CE3 3.41Å; I200-W422 HydrophobicContact CD1-CG 3.95Å; I200-W422 HydrophobicContact CD1-CH2 4.25Å; I200-W422 HydrophobicContact CD1-CZ2 4.28Å; I200-W422 HydrophobicContact CD1-CZ3 3.83Å; I200-W422 HydrophobicContact CG1-CD2 3.78Å; I200-W422 HydrophobicContact CG1-CE3 4.22Å; I200-W422 HydrophobicContact CG1-CG 4.1Å; I200-W422 HydrophobicContact CG1-CZ2 4.18Å; I200-W422 HydrophobicContact CG2-CG 4.21Å; I200-M424 HydrophobicContact CD1-SD 4.46Å; I200-M424 HydrophobicContact CG2-SD 4.41Å
201	L	88.6	Confident	87	Confident	8 Å²	8	46.5 Å²	46.5	4%	0.042	22%	0.218	C	C	.	.	H	α-helix	trans	-58.2	-49	177.9	-173.8	73.5	0	0	0	111.5	L197 R203 S204 M205 I241 L250	L197-L201 WeakPolarHBondContact O-CB 3.43Å; L197-L201 PolarHBondContact O-N 2.98Å; L201-R203 PolarHBondContact O-N 2.96Å; L201-S204 PolarHBondContact O-N 3.02Å; L201-M205 HydrophobicContact CD1-CE 3.53Å; L201-M205 HydrophobicContact CD1-CG 4.37Å; L201-M205 HydrophobicContact CG-CE 4.17Å; L201-M205 HydrophobicContact CG-CG 4.19Å; L201-M205 WeakPolarHBondContact O-CB 2.96Å; L201-M205 WeakPolarHBondContact O-CG 3.47Å; L201-M205 PolarHBondContact O-N 3.46Å; L201-I241 HydrophobicContact CB-CG2 3.92Å; L201-I241 HydrophobicContact CD2-CB 3.99Å; L201-I241 HydrophobicContact CD2-CG2 3.74Å; L201-I241 HydrophobicContact CG-CG2 4.38Å; L201-L250 HydrophobicContact CD1-CD1 3.62Å; L201-L250 HydrophobicContact CD1-CD2 3.85Å; L201-L250 HydrophobicContact CD1-CG 4.35Å; L201-L250 HydrophobicContact CD2-CD1 3.74Å; L201-L250 HydrophobicContact CG-CD1 4.35Å
202	R	85.8	Confident	87.1	Confident	126 Å²	126	48.6 Å²	48.6	48%	0.475	23%	0.226	S	C	.	.	H	α-helix	trans	-61.1	-30.5	176.5	-76.2	170.7	-177.3	-174.6	3.3	112.9	N198 L199 I200 K206	N198-R202 VanDerWaalsContact O-CB 3.28Å; N198-R202 WeakPolarHBondContact O-CB 3.49Å; N198-R202 WeakPolarHBondContact O-CD 3.38Å; N198-R202 WeakPolarHBondContact O-CG 3.48Å; N198-R202 PolarHBondContact O-N 3.46Å; L199-R202 PolarHBondContact O-N 3.21Å; I200-R202 PolarHBondContact O-N 3.07Å; R202-K206 WeakPolarHBondContact O-CG 3.24Å
203	R	87.2	Confident	86.8	Confident	104 Å²	104	43.1 Å²	43.1	39%	0.392	21%	0.206	S	C	.	.	H	α-helix	trans	-74.2	-41.5	175.2	-173.4	-179.1	174.7	168.7	-4.8	111.2	Y146 L199 I200 L201 V418	Y146-R203 PolarHBondContact O-NH1 3.32Å; L199-R203 WeakPolarHBondContact O-CB 3.5Å; L199-R203 PolarHBondContact O-N 3.49Å; I200-R203 PolarHBondContact O-N 3.41Å; I200-R203 VanDerWaalsContact O-N 3.09Å; L201-R203 PolarHBondContact O-N 2.96Å; R203-V418 HydrophobicContact CB-CG1 3.9Å; R203-V418 HydrophobicContact CG-CG1 3.82Å; R203-V418 HydrophobicContact CG-CG2 3.9Å
204	S	90.4	Very high	86.2	Confident	1 Å²	1	45.8 Å²	45.8	1%	0.007	23%	0.234	C	C	.	.	H	α-helix	trans	-65.7	-46.1	176	179.2	0	0	0	0	111.6	I200 L201 K206 G207 S415	I200-S204 PolarHBondContact O-N 2.93Å; L201-S204 PolarHBondContact O-N 3.02Å; S204-K206 PolarHBondContact O-N 3.18Å; S204-K206 VanDerWaalsContact O-N 3.1Å; S204-G207 PolarHBondContact O-N 2.69Å; S204-S415 WeakPolarHBondContact O-CA 3.39Å; S204-S415 WeakPolarHBondContact O-CB 3.47Å; S204-S415 PolarHBondContact O-OG 3.25Å; S204-S415 PolarHBondContact OG-O 3.04Å
205	M	88.9	Confident	85.7	Confident	5 Å²	5	54.2 Å²	54.2	3%	0.025	27%	0.265	C	S	.	.	H	α-helix	trans	-62.2	-19.7	-179.2	-69.1	-68.8	168.9	0	0	114.4	L201 G207 L208 L217 T239 L250 F405 L409	L201-M205 HydrophobicContact CD1-CE 3.53Å; L201-M205 HydrophobicContact CD1-CG 4.37Å; L201-M205 HydrophobicContact CG-CE 4.17Å; L201-M205 HydrophobicContact CG-CG 4.19Å; L201-M205 WeakPolarHBondContact O-CB 2.96Å; L201-M205 WeakPolarHBondContact O-CG 3.47Å; L201-M205 PolarHBondContact O-N 3.46Å; M205-G207 VanDerWaalsContact C-N 3.28Å; M205-G207 PolarHBondContact O-N 3.38Å; M205-L208 WeakPolarHBondContact O-CB 3.34Å; M205-L208 PolarHBondContact O-N 3Å; M205-L208 HydrophobicContact SD-CD1 3.88Å; M205-L217 HydrophobicContact CB-CD1 3.64Å; M205-L217 HydrophobicContact CG-CD1 3.67Å; M205-L217 HydrophobicContact SD-CD1 3.82Å; M205-T239 HydrophobicContact CE-CG2 4.12Å; M205-L250 HydrophobicContact CE-CD2 4.1Å; M205-F405 HydrophobicContact CE-CE1 4.32Å; M205-F405 HydrophobicContact CE-CZ 3.76Å; M205-F405 HydrophobicContact SD-CE2 4.44Å; M205-F405 HydrophobicContact SD-CZ 3.87Å; M205-L409 HydrophobicContact CE-CD1 4.35Å; M205-L409 HydrophobicContact CE-CD2 3.66Å; M205-L409 HydrophobicContact SD-CD1 4.13Å; M205-L409 HydrophobicContact SD-CD2 4.4Å
206	K	87.1	Confident	85.8	Confident	164 Å²	164	52.5 Å²	52.5	71%	0.713	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-31.8	172.4	-77.5	173.8	178.5	-175.1	0	112.9	R202 S204 L208 N209	R202-K206 WeakPolarHBondContact O-CG 3.24Å; S204-K206 PolarHBondContact O-N 3.18Å; S204-K206 VanDerWaalsContact O-N 3.1Å; K206-L208 PolarHBondContact O-N 2.81Å; K206-N209 PolarHBondContact O-N 2.85Å
207	G	87.9	Confident	85.8	Confident	22 Å²	22	53.2 Å²	53.2	23%	0.227	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-35.4	177.1	0	0	0	0	0	112.5	S204 M205 N209 T412 S415	S204-G207 PolarHBondContact O-N 2.69Å; M205-G207 VanDerWaalsContact C-N 3.28Å; M205-G207 PolarHBondContact O-N 3.38Å; G207-N209 PolarHBondContact O-N 3.41Å; G207-T412 WeakPolarHBondContact O-CG2 3.41Å; G207-S415 WeakPolarHBondContact CA-OG 3.49Å
208	L	88.6	Confident	85.8	Confident	7 Å²	7	53.5 Å²	53.5	4%	0.037	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-14.4	175.9	-62.8	-172.1	0	0	0	114.3	M205 K206 L210 F405 R408 L409 T412 S415	M205-L208 WeakPolarHBondContact O-CB 3.34Å; M205-L208 PolarHBondContact O-N 3Å; M205-L208 HydrophobicContact SD-CD1 3.88Å; K206-L208 PolarHBondContact O-N 2.81Å; L208-L210 HydrophobicContact CB-CD1 3.93Å; L208-L210 HydrophobicContact CB-CG 3.8Å; L208-L210 HydrophobicContact CD1-CD1 3.69Å; L208-L210 HydrophobicContact CD1-CG 4.48Å; L208-L210 HydrophobicContact CG-CD1 4.5Å; L208-L210 PolarHBondContact O-N 2.87Å; L208-F405 HydrophobicContact CD1-CD2 4.45Å; L208-F405 HydrophobicContact CD1-CE2 3.7Å; L208-F405 HydrophobicContact CD1-CZ 4.3Å; L208-R408 HydrophobicContact CD2-CG 3.87Å; L208-R408 PolarHBondContact O-NH2 3.2Å; L208-L409 HydrophobicContact CD1-CD1 3.96Å; L208-L409 HydrophobicContact CD2-CB 4.32Å; L208-L409 HydrophobicContact CD2-CD1 4.03Å; L208-L409 HydrophobicContact CG-CD1 3.92Å; L208-T412 HydrophobicContact CD2-CG2 4.4Å; L208-T412 WeakPolarHBondContact CD2-OG1 3.28Å; L208-S415 PolarHBondContact N-OG 2.82Å
209	N	89	Confident	85.8	Confident	105 Å²	105	52.8 Å²	52.8	56%	0.561	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.5	55.8	-173.7	-166.6	7.6	0	0	0	111.7	K206 G207 R221	K206-N209 PolarHBondContact O-N 2.85Å; G207-N209 PolarHBondContact O-N 3.41Å; N209-R221 PolarHBondContact O-NH2 3.47Å
210	L	88.8	Confident	85.7	Confident	16 Å²	16	50.5 Å²	50.5	8%	0.084	25%	0.248	C	C	.	.			trans	-105.3	147.8	175.1	-65.5	176.8	0	0	0	110.4	L208 L217 D219 Y237	L208-L210 HydrophobicContact CB-CD1 3.93Å; L208-L210 HydrophobicContact CB-CG 3.8Å; L208-L210 HydrophobicContact CD1-CD1 3.69Å; L208-L210 HydrophobicContact CD1-CG 4.48Å; L208-L210 HydrophobicContact CG-CD1 4.5Å; L208-L210 PolarHBondContact O-N 2.87Å; L210-L217 HydrophobicContact CB-CB 4.07Å; L210-L217 HydrophobicContact CB-CD2 4.42Å; L210-L217 HydrophobicContact CD1-CB 4Å; L210-D219 HydrophobicContact CD2-CB 3.51Å; L210-D219 WeakPolarHBondContact CD2-OD2 3.43Å; L210-Y237 HydrophobicContact CD1-CD2 4.03Å; L210-Y237 HydrophobicContact CD1-CE2 4.37Å
211	E	84.4	Confident	85.5	Confident	63 Å²	63	58.5 Å²	58.5	29%	0.294	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	129.4	-177.6	-74.7	-69.1	-169.5	0	0	112.7	V213 L217 F218 P220 N297	E211-V213 PolarHBondContact O-N 3.38Å; E211-L217 CarbonylContact O-C 3.58Å; E211-L217 WeakPolarHBondContact O-CA 3.43Å; E211-F218 PolarHBondContact N-O 2.9Å; E211-F218 PolarHBondContact O-N 2.7Å; E211-P220 HydrophobicContact CB-CG 4.12Å; E211-P220 HydrophobicContact CG-CG 3.7Å; E211-N297 HydrophobicContact CB-CB 4.23Å; E211-N297 VanDerWaalsContact CD-ND2 3.27Å; E211-N297 HydrophobicContact CG-CB 3.89Å; E211-N297 PolarHBondContact OE1-ND2 2.89Å
212	L	81.3	Confident	85.3	Confident	91 Å²	91	60.4 Å²	60.4	48%	0.476	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	91.2	-178.6	-179.3	62.4	0	0	0	111	G214 L217	L212-G214 PolarHBondContact O-N 3.17Å; L212-L217 HydrophobicContact CB-CD2 4.24Å; L212-L217 HydrophobicContact CD1-CD2 4.06Å
213	V	76.9	Confident	85.5	Confident	7 Å²	7	58.2 Å²	58.2	4%	0.042	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	90.9	178.6	-171.2	0	0	0	0	109.8	E211 R215 N216 F218 K257 L292 T299	E211-V213 PolarHBondContact O-N 3.38Å; V213-R215 PolarHBondContact O-N 3.35Å; V213-N216 PolarHBondContact N-O 3.45Å; V213-F218 HydrophobicContact CB-CD2 3.62Å; V213-F218 HydrophobicContact CB-CE2 3.84Å; V213-F218 HydrophobicContact CG2-CD2 3.81Å; V213-F218 HydrophobicContact CG2-CE2 4.5Å; V213-K257 HydrophobicContact CG1-CD 4.1Å; V213-L292 HydrophobicContact CG1-CD1 4.43Å; V213-T299 HydrophobicContact CG1-CG2 3.62Å
214	G	74.5	Confident	85.6	Confident	59 Å²	59	55.7 Å²	55.7	61%	0.608	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.6	-94	-177.7	0	0	0	0	0	111.9	L212	L212-G214 PolarHBondContact O-N 3.17Å
215	R	73.5	Confident	85.5	Confident	196 Å²	196	59.1 Å²	59.1	74%	0.74	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.2	-10.2	176.4	-70.1	-176.7	175	172.7	-2.4	113.9	V213	V213-R215 PolarHBondContact O-N 3.35Å
216	N	86.6	Confident	85.5	Confident	21 Å²	21	59.4 Å²	59.4	11%	0.112	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	151.8	-169.9	-59.8	4.3	0	0	0	110.3	V213 F218 E238 T255	V213-N216 PolarHBondContact N-O 3.45Å; N216-F218 HydrophobicContact CB-CD2 4.45Å; N216-F218 HydrophobicContact CB-CE2 3.59Å; N216-F218 HydrophobicContact CB-CZ 3.82Å; N216-E238 PolarHBondContact ND2-OE2 2.83Å; N216-E238 WeakPolarHBondContact OD1-CG 3.08Å; N216-E238 PolarHBondContact OD1-OE2 2.74Å; N216-T255 HydrophobicContact CB-CG2 4.29Å
217	L	88.4	Confident	85.5	Confident	17 Å²	17	61 Å²	61	9%	0.089	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	124.3	-176.6	-63.7	166.5	0	0	0	109.5	M205 L210 E211 L212 G236 Y237 T239	M205-L217 HydrophobicContact CB-CD1 3.64Å; M205-L217 HydrophobicContact CG-CD1 3.67Å; M205-L217 HydrophobicContact SD-CD1 3.82Å; L210-L217 HydrophobicContact CB-CB 4.07Å; L210-L217 HydrophobicContact CB-CD2 4.42Å; L210-L217 HydrophobicContact CD1-CB 4Å; E211-L217 CarbonylContact O-C 3.58Å; E211-L217 WeakPolarHBondContact O-CA 3.43Å; L212-L217 HydrophobicContact CB-CD2 4.24Å; L212-L217 HydrophobicContact CD1-CD2 4.06Å; L217-G236 CarbonylContact O-C 3.52Å; L217-G236 WeakPolarHBondContact O-CA 3.2Å; L217-Y237 PolarHBondContact N-O 3.41Å; L217-Y237 PolarHBondContact O-N 3.07Å; L217-T239 HydrophobicContact CD1-CG2 4.39Å
218	F	89.7	Confident	85.4	Confident	6 Å²	6	67.9 Å²	67.9	3%	0.026	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	156.5	180	-63.3	-84.7	0	0	0	111.3	E211 V213 N216 P220 W234 P235 T255 K257	E211-F218 PolarHBondContact N-O 2.9Å; E211-F218 PolarHBondContact O-N 2.7Å; V213-F218 HydrophobicContact CB-CD2 3.62Å; V213-F218 HydrophobicContact CB-CE2 3.84Å; V213-F218 HydrophobicContact CG2-CD2 3.81Å; V213-F218 HydrophobicContact CG2-CE2 4.5Å; N216-F218 HydrophobicContact CB-CD2 4.45Å; N216-F218 HydrophobicContact CB-CE2 3.59Å; N216-F218 HydrophobicContact CB-CZ 3.82Å; F218-P220 WeakPolarHBondContact O-CD 3.32Å; F218-W234 HydrophobicContact CB-CB 4.31Å; F218-W234 HydrophobicContact CB-CE3 4.35Å; F218-W234 HydrophobicContact CD1-CB 4.42Å; F218-W234 WeakPolarHBondContact CD1-O 3.11Å; F218-P235 WeakPolarHBondContact CA-O 3.21Å; F218-T255 HydrophobicContact CE1-CG2 3.8Å; F218-T255 HydrophobicContact CZ-CG2 3.97Å; F218-K257 HydrophobicContact CD1-CB 3.82Å; F218-K257 HydrophobicContact CE1-CB 3.66Å; F218-K257 VanDerWaalsContact CE1-N 3.32Å; F218-K257 HydrophobicContact CE2-CB 4.36Å; F218-K257 HydrophobicContact CE2-CD 4.35Å; F218-K257 HydrophobicContact CG-CB 4.26Å; F218-K257 HydrophobicContact CZ-CB 3.94Å; F218-K257 HydrophobicContact CZ-CD 4.28Å
219	D	89.2	Confident	85.3	Confident	11 Å²	11	69.8 Å²	69.8	6%	0.059	34%	0.337	C	S	.	.			trans	-111.6	97.9	174.6	-156.2	-34.9	0	0	0	110.4	L210 R221 A222 P235 R408	L210-D219 HydrophobicContact CD2-CB 3.51Å; L210-D219 WeakPolarHBondContact CD2-OD2 3.43Å; D219-R221 PolarHBondContact O-N 2.75Å; D219-R221 WeakPolarHBondContact OD1-CB 3.33Å; D219-R221 PolarHBondContact OD1-N 3.25Å; D219-R221 VanDerWaalsContact OD1-N 3.15Å; D219-R221 IonicContact OD1-NE 2.69Å; D219-A222 HydrophobicContact CB-CB 4.12Å; D219-A222 PolarHBondContact O-N 2.81Å; D219-P235 PolarHBondContact N-O 3.25Å; D219-R408 IonicContact OD2-CZ 2.7Å; D219-R408 VanDerWaalsContact OD2-CZ 3.3Å; D219-R408 IonicContact OD2-NH1 2.63Å; D219-R408 PolarHBondContact OD2-NH1 3.31Å; D219-R408 IonicContact OD2-NH2 3.53Å; D219-R408 PolarHBondContact OD2-NH2 3.19Å
220	P	84.2	Confident	85.2	Confident	31 Å²	31	71.9 Å²	71.9	20%	0.201	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-64.4	-23.7	178.4	-16.3	28.3	0	0	0	112.7	E211 F218 A222 K223 W234	E211-P220 HydrophobicContact CB-CG 4.12Å; E211-P220 HydrophobicContact CG-CG 3.7Å; F218-P220 WeakPolarHBondContact O-CD 3.32Å; P220-A222 VanDerWaalsContact C-N 3.31Å; P220-K223 WeakPolarHBondContact O-CB 3.15Å; P220-K223 WeakPolarHBondContact O-CG 3.35Å; P220-K223 PolarHBondContact O-N 2.97Å; P220-W234 HydrophobicContact CB-CD2 4.23Å; P220-W234 HydrophobicContact CB-CE3 4.14Å; P220-W234 HydrophobicContact CB-CH2 3.92Å; P220-W234 HydrophobicContact CB-CZ2 4.04Å; P220-W234 HydrophobicContact CB-CZ3 3.99Å; P220-W234 HydrophobicContact CG-CE3 3.94Å; P220-W234 HydrophobicContact CG-CH2 4.03Å; P220-W234 HydrophobicContact CG-CZ3 3.68Å
221	R	84.6	Confident	85.2	Confident	168 Å²	168	71.5 Å²	71.5	63%	0.634	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-75.6	-23.9	179.8	-62.5	174	-78.1	169.8	-6.6	111.7	N209 D219	N209-R221 PolarHBondContact O-NH2 3.47Å; D219-R221 PolarHBondContact O-N 2.75Å; D219-R221 WeakPolarHBondContact OD1-CB 3.33Å; D219-R221 PolarHBondContact OD1-N 3.25Å; D219-R221 VanDerWaalsContact OD1-N 3.15Å; D219-R221 IonicContact OD1-NE 2.69Å
222	A	85.6	Confident	85.4	Confident	49 Å²	49	68.7 Å²	68.7	41%	0.405	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-97.9	24	173.4	0	0	0	0	0	113	D219 P220 P235	D219-A222 HydrophobicContact CB-CB 4.12Å; D219-A222 PolarHBondContact O-N 2.81Å; P220-A222 VanDerWaalsContact C-N 3.31Å; A222-P235 HydrophobicContact CB-CG 3.83Å; A222-P235 WeakPolarHBondContact O-CD 3.35Å; A222-P235 VanDerWaalsContact O-CG 3.27Å; A222-P235 WeakPolarHBondContact O-CG 3.48Å
223	K	88.6	Confident	85.9	Confident	79 Å²	79	64.4 Å²	64.4	34%	0.343	30%	0.303	S	S	.	.			trans	-60.6	141.9	179.1	68.6	174.6	-161.8	156.6	0	112.1	P220 E225 E232 W234	P220-K223 WeakPolarHBondContact O-CB 3.15Å; P220-K223 WeakPolarHBondContact O-CG 3.35Å; P220-K223 PolarHBondContact O-N 2.97Å; K223-E225 WeakPolarHBondContact CE-OE1 3.14Å; K223-E225 IonicContact NZ-OE1 2.66Å; K223-E225 PolarHBondContact NZ-OE1 2.89Å; K223-E232 HydrophobicContact CD-CG 4.15Å; K223-E232 WeakPolarHBondContact CD-OE2 3.39Å; K223-E232 IonicContact NZ-OE2 2.78Å; K223-E232 PolarHBondContact NZ-OE2 2.86Å; K223-W234 HydrophobicContact CB-CG 4.46Å
224	I	89.1	Confident	86.5	Confident	51 Å²	51	64.4 Å²	64.4	26%	0.262	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	117.4	174.9	-55.6	172.9	0	0	0	108	E232 L233 Y390	I224-E232 CarbonylContact O-C 3.6Å; I224-E232 WeakPolarHBondContact O-CA 3.3Å; I224-L233 HydrophobicContact CB-CB 4.32Å; I224-L233 PolarHBondContact N-O 2.7Å; I224-L233 PolarHBondContact O-N 3.18Å; I224-Y390 HydrophobicContact CD1-CD1 4.02Å; I224-Y390 HydrophobicContact CD1-CG 4.48Å; I224-Y390 HydrophobicContact CG2-CD1 4.09Å; I224-Y390 HydrophobicContact CG2-CE1 3.87Å; I224-Y390 HydrophobicContact CG2-CE2 4.33Å; I224-Y390 HydrophobicContact CG2-CG 4.42Å
225	E	89.5	Confident	87.3	Confident	73 Å²	73	62.9 Å²	62.9	34%	0.341	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	128	178.9	-55.5	-164.4	152.1	0	0	111.6	K223 R227 E232	K223-E225 WeakPolarHBondContact CE-OE1 3.14Å; K223-E225 IonicContact NZ-OE1 2.66Å; K223-E225 PolarHBondContact NZ-OE1 2.89Å; E225-R227 HydrophobicContact CB-CG 4.16Å; E225-R227 IonicContact OE2-CZ 3.1Å; E225-R227 IonicContact OE2-NE 3.82Å; E225-R227 PolarHBondContact OE2-NE 3.37Å; E225-R227 IonicContact OE2-NH2 2.71Å; E225-R227 PolarHBondContact OE2-NH2 3.45Å; E225-E232 HydrophobicContact CB-CG 4.49Å; E225-E232 HydrophobicContact CG-CG 3.99Å
226	I	88.9	Confident	88.2	Confident	11 Å²	11	53.5 Å²	53.5	6%	0.056	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	76.5	171.7	-51.5	-178.3	0	0	0	107.2	E228 F229 K230 M231 L233 Y390	I226-E228 VanDerWaalsContact C-N 3.33Å; I226-E228 PolarHBondContact O-N 3.28Å; I226-F229 HydrophobicContact CG2-CB 4.48Å; I226-F229 HydrophobicContact CG2-CD2 3.82Å; I226-F229 PolarHBondContact O-N 2.74Å; I226-K230 PolarHBondContact O-N 2.82Å; I226-M231 PolarHBondContact N-O 2.87Å; I226-M231 PolarHBondContact O-N 2.78Å; I226-L233 HydrophobicContact CD1-CD1 3.83Å; I226-L233 HydrophobicContact CD1-CG 4.11Å; I226-Y390 HydrophobicContact CD1-CD2 3.97Å; I226-Y390 HydrophobicContact CD1-CE2 4.06Å; I226-Y390 HydrophobicContact CG1-CE2 4.2Å
227	R	86.4	Confident	88.4	Confident	198 Å²	198	54.2 Å²	54.2	75%	0.747	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-60.4	-39.3	-170.2	-65.6	-176.9	176.2	-178	-1.9	113	E225 F229 K230	E225-R227 HydrophobicContact CB-CG 4.16Å; E225-R227 IonicContact OE2-CZ 3.1Å; E225-R227 IonicContact OE2-NE 3.82Å; E225-R227 PolarHBondContact OE2-NE 3.37Å; E225-R227 IonicContact OE2-NH2 2.71Å; E225-R227 PolarHBondContact OE2-NH2 3.45Å; R227-F229 PolarHBondContact O-N 3.04Å; R227-F229 VanDerWaalsContact O-N 3.08Å; R227-K230 PolarHBondContact O-N 3Å
228	E	86.7	Confident	88.5	Confident	167 Å²	167	56.2 Å²	56.2	78%	0.78	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-47	-36.9	174.9	-66.4	169	-158.5	0	0	113.7	I226	I226-E228 VanDerWaalsContact C-N 3.33Å; I226-E228 PolarHBondContact O-N 3.28Å
229	F	85.8	Confident	88.5	Confident	47 Å²	47	57.2 Å²	57.2	21%	0.206	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-115.2	12.2	-175.9	-59.2	-79.9	0	0	0	113.3	I226 R227 M231 Q382 L383 A386	I226-F229 HydrophobicContact CG2-CB 4.48Å; I226-F229 HydrophobicContact CG2-CD2 3.82Å; I226-F229 PolarHBondContact O-N 2.74Å; R227-F229 PolarHBondContact O-N 3.04Å; R227-F229 VanDerWaalsContact O-N 3.08Å; F229-M231 HydrophobicContact CB-CE 4Å; F229-M231 WeakPolarHBondContact O-CE 3.47Å; F229-M231 WeakPolarHBondContact O-CG 3.26Å; F229-M231 PolarHBondContact O-N 3.33Å; F229-Q382 HydrophobicContact CE1-CB 4.32Å; F229-Q382 HydrophobicContact CZ-CB 3.88Å; F229-L383 HydrophobicContact CB-CD1 3.87Å; F229-L383 HydrophobicContact CD1-CB 3.82Å; F229-L383 HydrophobicContact CD1-CD1 4.37Å; F229-L383 HydrophobicContact CD2-CD1 4.25Å; F229-L383 HydrophobicContact CE1-CB 3.92Å; F229-L383 HydrophobicContact CG-CB 4.16Å; F229-L383 HydrophobicContact CG-CD1 3.91Å; F229-L383 HydrophobicContact CZ-CB 4.35Å; F229-A386 HydrophobicContact CD2-CB 4.41Å; F229-A386 HydrophobicContact CE2-CB 3.99Å
230	K	87.1	Confident	88.4	Confident	149 Å²	149	58.4 Å²	58.4	65%	0.648	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	51.7	-176.7	-60.2	-175.3	178.1	-176	0	113.3	I226 R227 T261	I226-K230 PolarHBondContact O-N 2.82Å; R227-K230 PolarHBondContact O-N 3Å; K230-T261 PolarHBondContact O-N 2.97Å; K230-T261 PolarHBondContact O-OG1 3.26Å
231	M	88	Confident	88.7	Confident	7 Å²	7	57 Å²	57	3%	0.034	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	158	178.6	-64	-173.8	-142.4	0	0	113.7	I226 F229 V258 M259 L373 M377 L383 M387	I226-M231 PolarHBondContact N-O 2.87Å; I226-M231 PolarHBondContact O-N 2.78Å; F229-M231 HydrophobicContact CB-CE 4Å; F229-M231 WeakPolarHBondContact O-CE 3.47Å; F229-M231 WeakPolarHBondContact O-CG 3.26Å; F229-M231 PolarHBondContact O-N 3.33Å; M231-V258 HydrophobicContact SD-CG1 4.25Å; M231-M259 CarbonylContact C-O 3.6Å; M231-M259 VanDerWaalsContact CA-O 3.3Å; M231-M259 WeakPolarHBondContact CA-O 3.39Å; M231-M259 WeakPolarHBondContact CB-O 3.39Å; M231-L373 HydrophobicContact CE-CD2 4.19Å; M231-L373 HydrophobicContact SD-CD2 3.7Å; M231-M377 HydrophobicContact CE-CE 3.22Å; M231-M377 HydrophobicContact SD-CE 3.94Å; M231-L383 HydrophobicContact CE-CD1 3.52Å; M231-L383 HydrophobicContact CE-CD2 3.42Å; M231-L383 VanDerWaalsContact CE-CD2 3.42Å; M231-L383 HydrophobicContact CE-CG 4.12Å; M231-L383 HydrophobicContact SD-CD1 3.81Å; M231-L383 HydrophobicContact SD-CD2 4.44Å; M231-M387 HydrophobicContact SD-CE 4.02Å
232	E	89.9	Confident	88.7	Confident	5 Å²	5	52.2 Å²	52.2	2%	0.023	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	139.3	167.6	-79.4	139.9	-94.9	0	0	109.6	K223 I224 E225 M259 T261 R369	K223-E232 HydrophobicContact CD-CG 4.15Å; K223-E232 WeakPolarHBondContact CD-OE2 3.39Å; K223-E232 IonicContact NZ-OE2 2.78Å; K223-E232 PolarHBondContact NZ-OE2 2.86Å; I224-E232 CarbonylContact O-C 3.6Å; I224-E232 WeakPolarHBondContact O-CA 3.3Å; E225-E232 HydrophobicContact CB-CG 4.49Å; E225-E232 HydrophobicContact CG-CG 3.99Å; E232-M259 HydrophobicContact CB-CB 4.17Å; E232-M259 PolarHBondContact N-O 2.9Å; E232-M259 WeakPolarHBondContact O-CB 3.33Å; E232-M259 PolarHBondContact O-N 3.33Å; E232-T261 PolarHBondContact OE1-OG1 3.16Å; E232-R369 IonicContact OE1-CZ 3.47Å; E232-R369 IonicContact OE1-NH1 2.7Å; E232-R369 IonicContact OE1-NH2 3.78Å; E232-R369 PolarHBondContact OE1-NH2 2.91Å; E232-R369 IonicContact OE2-CZ 2.79Å; E232-R369 IonicContact OE2-NH1 3.69Å; E232-R369 PolarHBondContact OE2-NH1 3.15Å; E232-R369 IonicContact OE2-NH2 3.21Å; E232-R369 PolarHBondContact OE2-NH2 3.3Å
233	L	90.1	Very high	88.8	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	116.2	167.7	-65.3	176.6	0	0	0	108.2	I224 I226 K257 V258 M387 Y390 T391	I224-L233 HydrophobicContact CB-CB 4.32Å; I224-L233 PolarHBondContact N-O 2.7Å; I224-L233 PolarHBondContact O-N 3.18Å; I226-L233 HydrophobicContact CD1-CD1 3.83Å; I226-L233 HydrophobicContact CD1-CG 4.11Å; L233-K257 WeakPolarHBondContact CA-O 3.14Å; L233-V258 HydrophobicContact CD2-CB 4.39Å; L233-V258 HydrophobicContact CD2-CG2 3.79Å; L233-M387 HydrophobicContact CD1-CG 4.35Å; L233-M387 HydrophobicContact CD2-CE 4.13Å; L233-M387 HydrophobicContact CD2-CG 4.25Å; L233-M387 HydrophobicContact CD2-SD 4.37Å; L233-Y390 HydrophobicContact CD1-CD2 4.08Å; L233-Y390 HydrophobicContact CD1-CG 4.18Å; L233-T391 HydrophobicContact CD1-CG2 4.31Å
234	W	90.4	Very high	88.8	Confident	8 Å²	8	48.4 Å²	48.4	3%	0.03	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	118.5	170.7	-61.4	3.7	0	0	0	108.4	F218 P220 K223 H256 K257 M259 L292 N297	F218-W234 HydrophobicContact CB-CB 4.31Å; F218-W234 HydrophobicContact CB-CE3 4.35Å; F218-W234 HydrophobicContact CD1-CB 4.42Å; F218-W234 WeakPolarHBondContact CD1-O 3.11Å; P220-W234 HydrophobicContact CB-CD2 4.23Å; P220-W234 HydrophobicContact CB-CE3 4.14Å; P220-W234 HydrophobicContact CB-CH2 3.92Å; P220-W234 HydrophobicContact CB-CZ2 4.04Å; P220-W234 HydrophobicContact CB-CZ3 3.99Å; P220-W234 HydrophobicContact CG-CE3 3.94Å; P220-W234 HydrophobicContact CG-CH2 4.03Å; P220-W234 HydrophobicContact CG-CZ3 3.68Å; K223-W234 HydrophobicContact CB-CG 4.46Å; W234-H256 CarbonylContact O-C 3.39Å; W234-H256 WeakPolarHBondContact O-CA 3.45Å; W234-K257 HydrophobicContact CB-CB 4.2Å; W234-K257 PolarHBondContact N-O 2.83Å; W234-K257 PolarHBondContact O-N 2.91Å; W234-M259 HydrophobicContact CD2-CG 4.23Å; W234-M259 HydrophobicContact CG-CG 4.36Å; W234-L292 HydrophobicContact CH2-CD2 3.39Å; W234-L292 HydrophobicContact CZ2-CD2 4.01Å; W234-L292 HydrophobicContact CZ3-CD2 3.82Å; W234-N297 WeakPolarHBondContact CH2-OD1 3.38Å
235	P	91	Very high	88.6	Confident	26 Å²	26	47.8 Å²	47.8	17%	0.169	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	152.2	173	31.8	-35.1	0	0	0	109.9	F218 D219 A222	F218-P235 WeakPolarHBondContact CA-O 3.21Å; D219-P235 PolarHBondContact N-O 3.25Å; A222-P235 HydrophobicContact CB-CG 3.83Å; A222-P235 WeakPolarHBondContact O-CD 3.35Å; A222-P235 VanDerWaalsContact O-CG 3.27Å; A222-P235 WeakPolarHBondContact O-CG 3.48Å
236	G	91.9	Very high	88.4	Confident	0 Å²	0	52 Å²	52	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.9	-175.1	-179	0	0	0	0	0	114.3	L217 T255	L217-G236 CarbonylContact O-C 3.52Å; L217-G236 WeakPolarHBondContact O-CA 3.2Å; G236-T255 PolarHBondContact N-O 3.3Å; G236-T255 PolarHBondContact O-N 3.26Å; G236-T255 VanDerWaalsContact O-O 3.12Å
237	Y	91.3	Very high	88.3	Confident	35 Å²	35	53.4 Å²	53.4	14%	0.137	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	124.2	-169.5	-53.2	-80.2	0	0	0	109.5	L210 L217 T252 E253 I254 F405	L210-Y237 HydrophobicContact CD1-CD2 4.03Å; L210-Y237 HydrophobicContact CD1-CE2 4.37Å; L217-Y237 PolarHBondContact N-O 3.41Å; L217-Y237 PolarHBondContact O-N 3.07Å; Y237-T252 HydrophobicContact CD1-CG2 3.91Å; Y237-T252 HydrophobicContact CG-CG2 4.4Å; Y237-E253 WeakPolarHBondContact CA-O 3.14Å; Y237-I254 HydrophobicContact CD1-CD1 3.78Å; Y237-I254 HydrophobicContact CE1-CD1 3.54Å; Y237-F405 HydrophobicContact CD1-CB 4.15Å; Y237-F405 HydrophobicContact CD1-CD1 4.41Å; Y237-F405 AromaticContact CD1-CD2 3.52Å; Y237-F405 HydrophobicContact CD1-CD2 3.52Å; Y237-F405 AromaticContact CD1-CE2 3.94Å; Y237-F405 HydrophobicContact CD1-CE2 3.94Å; Y237-F405 AromaticContact CD1-CG 3.76Å; Y237-F405 HydrophobicContact CD1-CG 3.76Å; Y237-F405 AromaticContact CD2-CD2 3.65Å; Y237-F405 HydrophobicContact CD2-CD2 3.65Å; Y237-F405 AromaticContact CD2-CE2 3.65Å; Y237-F405 HydrophobicContact CD2-CE2 3.65Å; Y237-F405 HydrophobicContact CE1-CB 3.55Å; Y237-F405 AromaticContact CE1-CD2 3.46Å; Y237-F405 HydrophobicContact CE1-CD2 3.46Å; Y237-F405 VanDerWaalsContact CE1-CD2 3.46Å; Y237-F405 HydrophobicContact CE1-CE2 4.3Å; Y237-F405 AromaticContact CE1-CG 3.64Å; Y237-F405 HydrophobicContact CE1-CG 3.64Å; Y237-F405 AromaticContact CE2-CD2 3.6Å; Y237-F405 HydrophobicContact CE2-CD2 3.6Å; Y237-F405 HydrophobicContact CE2-CE2 4.04Å; Y237-F405 AromaticContact CG-CD2 3.61Å; Y237-F405 HydrophobicContact CG-CD2 3.61Å; Y237-F405 AromaticContact CG-CE2 3.6Å; Y237-F405 HydrophobicContact CG-CE2 3.6Å; Y237-F405 HydrophobicContact CG-CG 4.29Å; Y237-F405 HydrophobicContact CG-CZ 4.27Å; Y237-F405 AromaticContact CZ-CD2 3.5Å
238	E	90.9	Very high	88.6	Confident	59 Å²	59	44.3 Å²	44.3	28%	0.276	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	112.8	164.6	-173.1	153.4	166.6	0	0	107.7	N216 T252 E253 T255 N731	N216-E238 PolarHBondContact ND2-OE2 2.83Å; N216-E238 WeakPolarHBondContact OD1-CG 3.08Å; N216-E238 PolarHBondContact OD1-OE2 2.74Å; E238-T252 WeakPolarHBondContact O-CA 3.17Å; E238-E253 PolarHBondContact N-O 2.81Å; E238-E253 PolarHBondContact O-N 2.94Å; E238-T255 HydrophobicContact CB-CG2 4.25Å; E238-N731 VanDerWaalsContact CD-ND2 3.31Å; E238-N731 PolarHBondContact OE1-ND2 3.38Å
239	T	89.8	Confident	88.9	Confident	27 Å²	27	36.4 Å²	36.4	17%	0.166	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	132.8	-171.3	58.3	0	0	0	0	111.1	M205 L217 G251 T252 F405	M205-T239 HydrophobicContact CE-CG2 4.12Å; L217-T239 HydrophobicContact CD1-CG2 4.39Å; T239-G251 WeakPolarHBondContact CA-O 3.45Å; T239-T252 HydrophobicContact CG2-CG2 4.33Å; T239-F405 HydrophobicContact CG2-CZ 4.27Å
240	S	87.8	Confident	89.3	Confident	36 Å²	36	34.3 Å²	34.3	25%	0.252	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	118.4	174.1	59.9	0	0	0	0	111	G251	S240-G251 PolarHBondContact N-O 2.73Å; S240-G251 PolarHBondContact O-N 2.99Å
241	I	88.8	Confident	89.5	Confident	3 Å²	3	27.3 Å²	27.3	2%	0.015	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	132	169.1	-174.2	167.3	0	0	0	109.8	L106 L194 L197 L201 I248 L249 L250	L106-I241 HydrophobicContact CD1-CD1 4.46Å; L106-I241 HydrophobicContact CD2-CD1 3.81Å; L194-I241 WeakPolarHBondContact CD1-O 3.4Å; L197-I241 HydrophobicContact CB-CD1 4.03Å; L197-I241 HydrophobicContact CB-CG1 4.15Å; L197-I241 HydrophobicContact CB-CG2 3.98Å; L197-I241 HydrophobicContact CD1-CG1 4.38Å; L197-I241 HydrophobicContact CD2-CD1 4.06Å; L197-I241 HydrophobicContact CG-CD1 4.46Å; L201-I241 HydrophobicContact CB-CG2 3.92Å; L201-I241 HydrophobicContact CD2-CB 3.99Å; L201-I241 HydrophobicContact CD2-CG2 3.74Å; L201-I241 HydrophobicContact CG-CG2 4.38Å; I241-I248 HydrophobicContact CD1-CG2 3.91Å; I241-I248 HydrophobicContact CG1-CG2 3.8Å; I241-L249 WeakPolarHBondContact CA-O 3.32Å; I241-L250 HydrophobicContact CB-CD1 4.47Å
242	R	85.4	Confident	89.8	Confident	67 Å²	67	27 Å²	27	25%	0.253	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	157.1	176	-67.2	-166.9	169.6	-116.6	-10.1	111.2	L194 H244 I248 L249 L753	L194-R242 HydrophobicContact CD1-CB 4.45Å; L194-R242 HydrophobicContact CD1-CG 3.83Å; R242-H244 PolarHBondContact O-CD2 2.93Å; R242-I248 WeakPolarHBondContact O-CA 3.43Å; R242-L249 PolarHBondContact N-O 2.78Å; R242-L249 VanDerWaalsContact N-O 3.11Å; R242-L249 PolarHBondContact O-N 2.67Å; R242-L753 HydrophobicContact CB-CD2 4.43Å
243	Q	87.1	Confident	89.9	Confident	42 Å²	42	27.2 Å²	27.2	20%	0.196	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	131.5	154	-176.7	62.6	40.3	0	0	108.5	C188 F193 K246 P754	C188-Q243 HydrophobicContact CB-CG 4.35Å; F193-Q243 HydrophobicContact CE1-CB 4.19Å; Q243-K246 VanDerWaalsContact NE2-C 3.29Å; Q243-K246 PolarHBondContact NE2-O 2.86Å; Q243-P754 HydrophobicContact CG-CG 4.41Å
244	H	89.3	Confident	89.9	Confident	5 Å²	5	27.8 Å²	27.8	2%	0.023	13%	0.134	C	C	.	.			trans	-114.1	-171.2	168.6	-71.8	-95	0	0	0	110	F103 R242 K246 D247 L249 V750 I751 T752 P754	F103-H244 AromaticContact CE1-CE1 3.79Å; F103-H244 AromaticContact CE1-NE2 3.54Å; R242-H244 PolarHBondContact O-CD2 2.93Å; H244-K246 PolarHBondContact O-N 3.28Å; H244-D247 PolarHBondContact N-O 3.15Å; H244-L249 HydrophobicContact CB-CD1 4.07Å; H244-L249 HydrophobicContact CB-CG 4.26Å; H244-V750 WeakPolarHBondContact CB-O 3.35Å; H244-I751 PolarHBondContact CE1-O 3.29Å; H244-I751 VanDerWaalsContact CE1-O 3.26Å; H244-I751 VanDerWaalsContact ND1-C 3.34Å; H244-I751 PolarHBondContact ND1-O 3.32Å; H244-I751 VanDerWaalsContact ND1-O 3.16Å; H244-T752 PolarHBondContact ND1-O 3.3Å; H244-P754 VanDerWaalsContact C-CG 3.48Å; H244-P754 WeakPolarHBondContact O-CG 3.4Å
245	E	85.3	Confident	89.9	Confident	38 Å²	38	29 Å²	29	18%	0.178	14%	0.141	C	C	.	.	S	Bend	trans	-47.5	-29.3	-169.9	-57.9	-59	136.4	0	0	115.3	R82 K89 T752 L753	R82-E245 IonicContact NH1-OE2 3.21Å; R82-E245 PolarHBondContact NH1-OE2 2.89Å; K89-E245 WeakPolarHBondContact CE-OE1 3.49Å; K89-E245 IonicContact NZ-OE1 2.74Å; K89-E245 PolarHBondContact NZ-OE1 3.37Å; K89-E245 IonicContact NZ-OE2 2.81Å; E245-T752 VanDerWaalsContact CG-OG1 3.29Å; E245-T752 WeakPolarHBondContact CG-OG1 3.41Å; E245-T752 VanDerWaalsContact OE1-C 3.3Å; E245-T752 WeakPolarHBondContact OE1-CB 3.5Å; E245-T752 PolarHBondContact OE1-OG1 3.45Å; E245-L753 PolarHBondContact OE1-N 3.44Å
246	K	83.9	Confident	89.8	Confident	161 Å²	161	29.5 Å²	29.5	70%	0.7	14%	0.142	S	C	*	.	S	Bend	trans	-135	-45.4	176.2	-61.3	-175.2	179.9	-175.8	0	112.4	Q243 H244	Q243-K246 VanDerWaalsContact NE2-C 3.29Å; Q243-K246 PolarHBondContact NE2-O 2.86Å; H244-K246 PolarHBondContact O-N 3.28Å
247	D	87.8	Confident	89.5	Confident	41 Å²	41	31.7 Å²	31.7	22%	0.219	15%	0.151	C	C	.	.	S	Bend	trans	-111	157.3	-167.5	-70.1	-72.9	0	0	0	114.1	R105 H244 L249	R105-D247 HydrophobicContact CG-CB 4.18Å; R105-D247 IonicContact CZ-OD1 2.79Å; R105-D247 IonicContact CZ-OD2 2.69Å; R105-D247 IonicContact NE-OD1 2.71Å; R105-D247 PolarHBondContact NE-OD1 2.63Å; R105-D247 IonicContact NE-OD2 3.14Å; R105-D247 IonicContact NH2-OD1 3.45Å; R105-D247 PolarHBondContact NH2-OD1 2.8Å; R105-D247 IonicContact NH2-OD2 2.75Å; R105-D247 PolarHBondContact NH2-OD2 3.48Å; H244-D247 PolarHBondContact N-O 3.15Å; D247-L249 HydrophobicContact CB-CD2 3.85Å; D247-L249 HydrophobicContact CB-CG 4.47Å
248	I	91.6	Very high	89.4	Confident	8 Å²	8	31.2 Å²	31.2	4%	0.041	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	120.1	163	-58.5	170.9	0	0	0	107.6	L106 T108 W112 F193 L197 I241 R242 M424	L106-I248 HydrophobicContact CB-CB 4.33Å; L106-I248 HydrophobicContact CB-CG2 4.17Å; L106-I248 PolarHBondContact N-O 3.03Å; T108-I248 HydrophobicContact CG2-CD1 4.18Å; W112-I248 HydrophobicContact CE3-CD1 4.31Å; W112-I248 HydrophobicContact CH2-CD1 4.32Å; W112-I248 HydrophobicContact CZ3-CD1 3.79Å; F193-I248 HydrophobicContact CE1-CD1 4.42Å; F193-I248 HydrophobicContact CZ-CD1 4.11Å; L197-I248 HydrophobicContact CD1-CD1 4.34Å; L197-I248 HydrophobicContact CD1-CG1 4.45Å; L197-I248 HydrophobicContact CD1-CG2 4.03Å; L197-I248 HydrophobicContact CD2-CD1 4.2Å; L197-I248 HydrophobicContact CD2-CG2 4.37Å; I241-I248 HydrophobicContact CD1-CG2 3.91Å; I241-I248 HydrophobicContact CG1-CG2 3.8Å; R242-I248 WeakPolarHBondContact O-CA 3.43Å; I248-M424 HydrophobicContact CD1-CE 3.83Å; I248-M424 HydrophobicContact CG2-CE 4.5Å
249	L	93.7	Very high	89.1	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	140.3	178.4	-51.7	-177.9	0	0	0	111.5	F103 F104 R105 I241 R242 H244 D247 T431 V750 I751	F103-L249 HydrophobicContact CB-CB 4.22Å; F103-L249 HydrophobicContact CB-CD1 4.18Å; F103-L249 HydrophobicContact CD1-CB 3.72Å; F103-L249 HydrophobicContact CD1-CD1 4.12Å; F103-L249 HydrophobicContact CG-CB 4.4Å; F103-L249 HydrophobicContact CG-CD1 4.33Å; F104-L249 WeakPolarHBondContact O-CA 3.23Å; R105-L249 HydrophobicContact CB-CD2 4.01Å; R105-L249 HydrophobicContact CG-CD2 4.23Å; I241-L249 WeakPolarHBondContact CA-O 3.32Å; R242-L249 PolarHBondContact N-O 2.78Å; R242-L249 VanDerWaalsContact N-O 3.11Å; R242-L249 PolarHBondContact O-N 2.67Å; H244-L249 HydrophobicContact CB-CD1 4.07Å; H244-L249 HydrophobicContact CB-CG 4.26Å; D247-L249 HydrophobicContact CB-CD2 3.85Å; D247-L249 HydrophobicContact CB-CG 4.47Å; L249-T431 HydrophobicContact CD2-CG2 4.38Å; L249-V750 HydrophobicContact CD1-CG1 4.46Å; L249-V750 WeakPolarHBondContact CD1-O 3.5Å; L249-I751 HydrophobicContact CD1-CG2 3.89Å
250	L	93.6	Very high	89	Confident	3 Å²	3	28 Å²	28	2%	0.016	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	97.1	167.5	174.1	56.9	0	0	0	109.5	F103 F104 L106 L201 M205 I241 L409 L426	F103-L250 WeakPolarHBondContact CA-O 3.49Å; F104-L250 PolarHBondContact N-O 2.81Å; F104-L250 PolarHBondContact O-N 2.91Å; L106-L250 HydrophobicContact CD1-CB 3.56Å; L201-L250 HydrophobicContact CD1-CD1 3.62Å; L201-L250 HydrophobicContact CD1-CD2 3.85Å; L201-L250 HydrophobicContact CD1-CG 4.35Å; L201-L250 HydrophobicContact CD2-CD1 3.74Å; L201-L250 HydrophobicContact CG-CD1 4.35Å; M205-L250 HydrophobicContact CE-CD2 4.1Å; I241-L250 HydrophobicContact CB-CD1 4.47Å; L250-L409 HydrophobicContact CD2-CD2 4.36Å; L250-L426 HydrophobicContact CB-CD1 4.42Å; L250-L426 HydrophobicContact CD2-CD1 4.07Å; L250-L426 HydrophobicContact CD2-CD2 4.38Å
251	G	92.8	Very high	88.9	Confident	2 Å²	2	29.6 Å²	29.6	2%	0.021	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	132.3	167.4	0	0	0	0	0	110.8	T239 S240	T239-G251 WeakPolarHBondContact CA-O 3.45Å; S240-G251 PolarHBondContact N-O 2.73Å; S240-G251 PolarHBondContact O-N 2.99Å
252	T	92.4	Very high	88.8	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	127.3	175.5	-57	0	0	0	0	110.2	N102 Y237 E238 T239 L402 F405	N102-T252 WeakPolarHBondContact CB-O 3.45Å; N102-T252 PolarHBondContact ND2-O 3.08Å; N102-T252 PolarHBondContact O-N 3.48Å; Y237-T252 HydrophobicContact CD1-CG2 3.91Å; Y237-T252 HydrophobicContact CG-CG2 4.4Å; E238-T252 WeakPolarHBondContact O-CA 3.17Å; T239-T252 HydrophobicContact CG2-CG2 4.33Å; T252-L402 HydrophobicContact CG2-CD2 4.01Å; T252-L402 WeakPolarHBondContact O-CD2 3.21Å; T252-F405 HydrophobicContact CG2-CD1 3.82Å; T252-F405 HydrophobicContact CG2-CE1 3.68Å; T252-F405 HydrophobicContact CG2-CG 4.49Å; T252-F405 HydrophobicContact CG2-CZ 4.26Å
253	E	92.5	Very high	89.1	Confident	10 Å²	10	29 Å²	29	5%	0.047	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	140.4	172	169.8	64.5	145.1	0	0	111.4	Y237 E238 T255 R398 M730 R733	Y237-E253 WeakPolarHBondContact CA-O 3.14Å; E238-E253 PolarHBondContact N-O 2.81Å; E238-E253 PolarHBondContact O-N 2.94Å; E253-T255 PolarHBondContact O-N 2.99Å; E253-R398 IonicContact OE1-CZ 2.66Å; E253-R398 IonicContact OE1-NE 2.72Å; E253-R398 IonicContact OE1-NH1 2.78Å; E253-R398 PolarHBondContact OE1-NH1 2.99Å; E253-R398 WeakPolarHBondContact OE2-CD 3.23Å; E253-R398 IonicContact OE2-CZ 3.98Å; E253-R398 IonicContact OE2-NE 2.65Å; E253-R398 IonicContact OE2-NH1 3.33Å; E253-R398 PolarHBondContact OE2-NH1 3.09Å; E253-M730 WeakPolarHBondContact CG-O 3.33Å; E253-R733 IonicContact OE1-CZ 2.85Å; E253-R733 IonicContact OE1-NE 2.74Å; E253-R733 PolarHBondContact OE1-NE 3.4Å; E253-R733 IonicContact OE1-NH2 2.67Å; E253-R733 PolarHBondContact OE1-NH2 3.47Å
254	I	90.6	Very high	89.3	Confident	13 Å²	13	27 Å²	27	7%	0.067	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	118.9	177.1	-43.6	-61	0	0	0	109.6	Y237 M393 R398 R401 L402	Y237-I254 HydrophobicContact CD1-CD1 3.78Å; Y237-I254 HydrophobicContact CE1-CD1 3.54Å; I254-M393 HydrophobicContact CB-CE 3.75Å; I254-M393 HydrophobicContact CG1-CE 4.47Å; I254-M393 HydrophobicContact CG2-CE 3.65Å; I254-M393 HydrophobicContact CG2-SD 4.16Å; I254-R398 HydrophobicContact CG1-CG 4.06Å; I254-R398 PolarHBondContact O-NH1 2.89Å; I254-R401 HydrophobicContact CD1-CB 3.93Å; I254-R401 HydrophobicContact CG1-CB 4.16Å; I254-L402 HydrophobicContact CD1-CD2 3.79Å; I254-L402 HydrophobicContact CD1-CG 4.08Å; I254-L402 HydrophobicContact CG1-CD2 4.25Å; I254-L402 HydrophobicContact CG1-CG 4.3Å
255	T	89.9	Confident	89.5	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	-124	163.7	-177.3	-172.7	0	0	0	0	110.9	N216 F218 G236 E238 E253	N216-T255 HydrophobicContact CB-CG2 4.29Å; F218-T255 HydrophobicContact CE1-CG2 3.8Å; F218-T255 HydrophobicContact CZ-CG2 3.97Å; G236-T255 PolarHBondContact N-O 3.3Å; G236-T255 PolarHBondContact O-N 3.26Å; G236-T255 VanDerWaalsContact O-O 3.12Å; E238-T255 HydrophobicContact CB-CG2 4.25Å; E253-T255 PolarHBondContact O-N 2.99Å
256	H	88.6	Confident	89.7	Confident	38 Å²	38	29.6 Å²	29.6	18%	0.176	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	127.2	-177.5	-64.6	90.2	0	0	0	110.3	W234 T391	W234-H256 CarbonylContact O-C 3.39Å; W234-H256 WeakPolarHBondContact O-CA 3.45Å; H256-T391 HydrophobicContact CB-CG2 4.15Å
257	K	87.2	Confident	89.9	Confident	45 Å²	45	22.5 Å²	22.5	20%	0.196	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	119.2	171.3	-166.3	79.2	178.8	-169.1	0	108.6	V213 F218 L233 W234 M259	V213-K257 HydrophobicContact CG1-CD 4.1Å; F218-K257 HydrophobicContact CD1-CB 3.82Å; F218-K257 HydrophobicContact CE1-CB 3.66Å; F218-K257 VanDerWaalsContact CE1-N 3.32Å; F218-K257 HydrophobicContact CE2-CB 4.36Å; F218-K257 HydrophobicContact CE2-CD 4.35Å; F218-K257 HydrophobicContact CG-CB 4.26Å; F218-K257 HydrophobicContact CZ-CB 3.94Å; F218-K257 HydrophobicContact CZ-CD 4.28Å; L233-K257 WeakPolarHBondContact CA-O 3.14Å; W234-K257 HydrophobicContact CB-CB 4.2Å; W234-K257 PolarHBondContact N-O 2.83Å; W234-K257 PolarHBondContact O-N 2.91Å; K257-M259 HydrophobicContact CG-CG 4.33Å; K257-M259 HydrophobicContact CG-SD 3.93Å
258	V	87.9	Confident	89.9	Confident	26 Å²	26	21 Å²	21	16%	0.158	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	118.9	169.7	-179.1	0	0	0	0	109	M231 L233 G372 L373 M387	M231-V258 HydrophobicContact SD-CG1 4.25Å; L233-V258 HydrophobicContact CD2-CB 4.39Å; L233-V258 HydrophobicContact CD2-CG2 3.79Å; V258-G372 PolarHBondContact O-N 3.02Å; V258-L373 HydrophobicContact CG1-CD2 3.81Å; V258-L373 HydrophobicContact CG1-CG 4.21Å; V258-M387 HydrophobicContact CB-CE 4.45Å; V258-M387 HydrophobicContact CG1-CE 3.73Å; V258-M387 HydrophobicContact CG2-CE 3.83Å; V258-M387 HydrophobicContact CG2-SD 3.68Å
259	M	84.6	Confident	89.6	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	137.2	174.6	-66.8	-54	-54.3	0	0	109.4	M231 E232 W234 K257 L292 R369 T371	M231-M259 CarbonylContact C-O 3.6Å; M231-M259 VanDerWaalsContact CA-O 3.3Å; M231-M259 WeakPolarHBondContact CA-O 3.39Å; M231-M259 WeakPolarHBondContact CB-O 3.39Å; E232-M259 HydrophobicContact CB-CB 4.17Å; E232-M259 PolarHBondContact N-O 2.9Å; E232-M259 WeakPolarHBondContact O-CB 3.33Å; E232-M259 PolarHBondContact O-N 3.33Å; W234-M259 HydrophobicContact CD2-CG 4.23Å; W234-M259 HydrophobicContact CG-CG 4.36Å; K257-M259 HydrophobicContact CG-CG 4.33Å; K257-M259 HydrophobicContact CG-SD 3.93Å; M259-L292 HydrophobicContact CE-CB 3.53Å; M259-L292 HydrophobicContact CE-CD2 3.58Å; M259-L292 HydrophobicContact CE-CG 4.19Å; M259-L292 HydrophobicContact SD-CB 4.38Å; M259-L292 HydrophobicContact SD-CD2 4.07Å; M259-R369 HydrophobicContact CE-CB 4.18Å; M259-T371 HydrophobicContact CE-CG2 3.9Å; M259-T371 HydrophobicContact SD-CG2 3.68Å
260	R	87.8	Confident	89.1	Confident	18 Å²	18	36.2 Å²	36.2	7%	0.068	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	144.4	164.2	-55.3	-172.8	-154	172.4	7.4	108.5	E262 R369 V370 G372 M377	R260-E262 HydrophobicContact CB-CB 4.31Å; R260-R369 PolarHBondContact O-NE 3.42Å; R260-R369 PolarHBondContact O-NH2 3.16Å; R260-V370 HydrophobicContact CB-CB 4.48Å; R260-V370 WeakPolarHBondContact CB-O 3.34Å; R260-V370 HydrophobicContact CG-CB 4.36Å; R260-V370 WeakPolarHBondContact CG-O 3.46Å; R260-V370 VanDerWaalsContact CZ-CG1 3.44Å; R260-V370 PolarHBondContact N-O 2.89Å; R260-G372 PolarHBondContact NE-O 3.39Å; R260-G372 PolarHBondContact NH2-O 3.49Å; R260-M377 HydrophobicContact CG-CE 4Å; R260-M377 VanDerWaalsContact CZ-SD 3.56Å
261	T	85.3	Confident	88.6	Confident	70 Å²	70	36.4 Å²	36.4	43%	0.429	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	-17.4	167.9	-44.8	0	0	0	0	110.6	K230 E232	K230-T261 PolarHBondContact O-N 2.97Å; K230-T261 PolarHBondContact O-OG1 3.26Å; E232-T261 PolarHBondContact OE1-OG1 3.16Å
262	E	87.3	Confident	87.4	Confident	38 Å²	38	38.9 Å²	38.9	18%	0.178	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	136.4	172.5	-167.5	178.3	-148.9	0	0	113.2	R260 D266 I267 R270 V370	R260-E262 HydrophobicContact CB-CB 4.31Å; E262-D266 HydrophobicContact CG-CB 3.5Å; E262-I267 HydrophobicContact CG-CG1 4.11Å; E262-R270 IonicContact OE1-CZ 2.72Å; E262-R270 IonicContact OE1-NE 3.61Å; E262-R270 PolarHBondContact OE1-NE 2.93Å; E262-R270 IonicContact OE1-NH2 2.66Å; E262-R270 PolarHBondContact OE1-NH2 3.37Å; E262-R270 IonicContact OE2-NH2 2.71Å; E262-R270 PolarHBondContact OE2-NH2 3.11Å; E262-V370 PolarHBondContact O-N 2.86Å
263	T	91.3	Very high	86.3	Confident	19 Å²	19	46.3 Å²	46.3	12%	0.117	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	169.3	175.1	68.7	0	0	0	0	112.2	Y265 D266 I267 C368 R369	T263-Y265 VanDerWaalsContact C-N 3.27Å; T263-Y265 PolarHBondContact OG1-N 2.88Å; T263-D266 WeakPolarHBondContact CB-OD2 3.48Å; T263-D266 PolarHBondContact N-OD2 3.31Å; T263-D266 PolarHBondContact O-N 3.44Å; T263-D266 PolarHBondContact OG1-N 2.94Å; T263-D266 VanDerWaalsContact OG1-N 3.15Å; T263-D266 PolarHBondContact OG1-OD2 3.03Å; T263-I267 PolarHBondContact O-N 2.78Å; T263-C368 CarbonylContact C-O 3.52Å; T263-C368 VanDerWaalsContact CA-O 3.28Å; T263-C368 WeakPolarHBondContact CA-O 3.41Å; T263-R369 HydrophobicContact CG2-CG 4.19Å
264	I	92.3	Very high	85.5	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-64.1	-36.5	168.7	-63.3	-66	0	0	0	110.8	D266 I267 M268 V286 L289 V291 I302 L344 P365 C368 V370	I264-D266 VanDerWaalsContact C-N 3.3Å; I264-D266 PolarHBondContact O-N 3.41Å; I264-I267 HydrophobicContact CD1-CD1 4.47Å; I264-I267 PolarHBondContact O-N 3.2Å; I264-I267 VanDerWaalsContact O-N 3.16Å; I264-M268 HydrophobicContact CG2-CG 4.03Å; I264-M268 HydrophobicContact CG2-SD 3.77Å; I264-M268 VanDerWaalsContact O-CG 3.29Å; I264-M268 WeakPolarHBondContact O-CG 3.19Å; I264-M268 PolarHBondContact O-N 2.91Å; I264-V286 HydrophobicContact CD1-CG1 4.23Å; I264-V286 HydrophobicContact CG2-CG1 3.85Å; I264-V286 HydrophobicContact CG2-CG2 4.03Å; I264-L289 HydrophobicContact CD1-CD1 3.91Å; I264-V291 HydrophobicContact CD1-CG1 3.63Å; I264-V291 HydrophobicContact CG1-CG1 3.52Å; I264-I302 HydrophobicContact CD1-CD1 3.79Å; I264-I302 HydrophobicContact CG1-CD1 3.99Å; I264-L344 HydrophobicContact CB-CD1 4.08Å; I264-L344 HydrophobicContact CG1-CD1 3.98Å; I264-L344 HydrophobicContact CG2-CD1 3.96Å; I264-L344 HydrophobicContact CG2-CD2 3.97Å; I264-P365 HydrophobicContact CB-CB 4.16Å; I264-P365 HydrophobicContact CG2-CB 4.06Å; I264-P365 PolarHBondContact N-O 3.45Å; I264-C368 HydrophobicContact CG1-CB 4.06Å; I264-C368 PolarHBondContact N-O 2.67Å; I264-V370 HydrophobicContact CD1-CG2 3.43Å; I264-V370 VanDerWaalsContact CD1-CG2 3.43Å; I264-V370 HydrophobicContact CG1-CG2 4.28Å
265	Y	92.4	Very high	84.3	Confident	34 Å²	34	54.3 Å²	54.3	13%	0.133	27%	0.268	C	S	.	.	H	α-helix	trans	-56.8	-42.9	177.2	-178.8	-96.1	0	0	0	112.6	T263 M268 R269 D338 Q341 P365	T263-Y265 VanDerWaalsContact C-N 3.27Å; T263-Y265 PolarHBondContact OG1-N 2.88Å; Y265-M268 PolarHBondContact O-N 2.87Å; Y265-R269 HydrophobicContact CE1-CG 4.15Å; Y265-R269 VanDerWaalsContact CZ-NE 3.34Å; Y265-R269 PolarHBondContact O-N 3.27Å; Y265-R269 PolarHBondContact OH-NE 2.83Å; Y265-R269 PolarHBondContact OH-NH2 2.97Å; Y265-D338 HydrophobicContact CE2-CB 3.68Å; Y265-D338 WeakPolarHBondContact CE2-OD2 3.45Å; Y265-D338 VanDerWaalsContact CZ-OD2 3.27Å; Y265-D338 PolarHBondContact OH-OD2 3.45Å; Y265-Q341 HydrophobicContact CD2-CB 4.01Å; Y265-Q341 HydrophobicContact CE2-CB 3.98Å; Y265-P365 PolarHBondContact N-O 2.91Å
266	D	90.3	Very high	83.5	Confident	63 Å²	63	57 Å²	57	34%	0.337	29%	0.293	S	S	.	.	H	α-helix	trans	-63.3	-43.2	176.3	-58.6	-55	0	0	0	111.9	E262 T263 I264 M268 R269 R270	E262-D266 HydrophobicContact CG-CB 3.5Å; T263-D266 WeakPolarHBondContact CB-OD2 3.48Å; T263-D266 PolarHBondContact N-OD2 3.31Å; T263-D266 PolarHBondContact O-N 3.44Å; T263-D266 PolarHBondContact OG1-N 2.94Å; T263-D266 VanDerWaalsContact OG1-N 3.15Å; T263-D266 PolarHBondContact OG1-OD2 3.03Å; I264-D266 VanDerWaalsContact C-N 3.3Å; I264-D266 PolarHBondContact O-N 3.41Å; D266-M268 VanDerWaalsContact C-N 3.31Å; D266-M268 PolarHBondContact O-N 2.92Å; D266-R269 PolarHBondContact O-N 3.32Å; D266-R270 WeakPolarHBondContact O-CG 3.45Å; D266-R270 PolarHBondContact O-N 2.92Å
267	I	87.8	Confident	83	Confident	12 Å²	12	63.6 Å²	63.6	6%	0.062	32%	0.317	C	S	.	.	H	α-helix	trans	-62.3	-41	176.7	-66.8	169.3	0	0	0	110.7	E262 T263 I264 R270 C271 N285 V286 V370	E262-I267 HydrophobicContact CG-CG1 4.11Å; T263-I267 PolarHBondContact O-N 2.78Å; I264-I267 HydrophobicContact CD1-CD1 4.47Å; I264-I267 PolarHBondContact O-N 3.2Å; I264-I267 VanDerWaalsContact O-N 3.16Å; I267-R270 PolarHBondContact O-N 3.45Å; I267-R270 VanDerWaalsContact O-N 3.14Å; I267-C271 PolarHBondContact O-N 3.29Å; I267-C271 PolarHBondContact O-SG 3.09Å; I267-C271 VanDerWaalsContact O-SG 3.35Å; I267-N285 HydrophobicContact CG2-CB 4.34Å; I267-V286 HydrophobicContact CG2-CG2 4.29Å; I267-V370 HydrophobicContact CD1-CG2 3.57Å
268	M	88.1	Confident	82.6	Confident	11 Å²	11	63.9 Å²	63.9	5%	0.054	32%	0.319	C	S	.	.	H	α-helix	trans	-66.8	-39.8	178.2	-69.1	-176.4	62.3	0	0	112.2	I264 Y265 D266 R270 C271 V282 V286 V305 F307 P342 P365	I264-M268 HydrophobicContact CG2-CG 4.03Å; I264-M268 HydrophobicContact CG2-SD 3.77Å; I264-M268 VanDerWaalsContact O-CG 3.29Å; I264-M268 WeakPolarHBondContact O-CG 3.19Å; I264-M268 PolarHBondContact O-N 2.91Å; Y265-M268 PolarHBondContact O-N 2.87Å; D266-M268 VanDerWaalsContact C-N 3.31Å; D266-M268 PolarHBondContact O-N 2.92Å; M268-R270 PolarHBondContact O-N 3.42Å; M268-C271 WeakPolarHBondContact O-CB 3.2Å; M268-C271 PolarHBondContact O-N 2.93Å; M268-V282 HydrophobicContact CB-CG2 4.34Å; M268-V282 HydrophobicContact CE-CB 4.48Å; M268-V282 HydrophobicContact CE-CG1 3.56Å; M268-V282 HydrophobicContact CE-CG2 4.09Å; M268-V282 HydrophobicContact CG-CG1 3.98Å; M268-V282 HydrophobicContact CG-CG2 4.14Å; M268-V282 HydrophobicContact SD-CG1 4.06Å; M268-V286 HydrophobicContact CG-CG2 4.13Å; M268-V305 HydrophobicContact CE-CG1 4.48Å; M268-F307 HydrophobicContact CE-CE1 4.27Å; M268-P342 HydrophobicContact CE-CG 3.2Å; M268-P342 HydrophobicContact SD-CG 4.32Å; M268-P365 HydrophobicContact SD-CB 4.27Å; M268-P365 HydrophobicContact SD-CG 4.22Å
269	R	86.1	Confident	82.4	Confident	163 Å²	163	66.5 Å²	66.5	62%	0.615	33%	0.329	S	S	*	.	H	α-helix	trans	-61.9	-23.4	170.7	-84.5	-167.1	173.3	-139.8	3.1	113.9	Y265 D266 H273	Y265-R269 HydrophobicContact CE1-CG 4.15Å; Y265-R269 VanDerWaalsContact CZ-NE 3.34Å; Y265-R269 PolarHBondContact O-N 3.27Å; Y265-R269 PolarHBondContact OH-NE 2.83Å; Y265-R269 PolarHBondContact OH-NH2 2.97Å; D266-R269 PolarHBondContact O-N 3.32Å; R269-H273 PolarHBondContact O-CE1 3.5Å
270	R	83.2	Confident	82.4	Confident	164 Å²	164	71.1 Å²	71.1	62%	0.619	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-9.4	177.5	-68	-168.2	-62.9	116.3	-8.9	114.3	E262 D266 I267 M268	E262-R270 IonicContact OE1-CZ 2.72Å; E262-R270 IonicContact OE1-NE 3.61Å; E262-R270 PolarHBondContact OE1-NE 2.93Å; E262-R270 IonicContact OE1-NH2 2.66Å; E262-R270 PolarHBondContact OE1-NH2 3.37Å; E262-R270 IonicContact OE2-NH2 2.71Å; E262-R270 PolarHBondContact OE2-NH2 3.11Å; D266-R270 WeakPolarHBondContact O-CG 3.45Å; D266-R270 PolarHBondContact O-N 2.92Å; I267-R270 PolarHBondContact O-N 3.45Å; I267-R270 VanDerWaalsContact O-N 3.14Å; M268-R270 PolarHBondContact O-N 3.42Å
271	C	82.1	Confident	82.2	Confident	6 Å²	6	73.6 Å²	73.6	4%	0.041	37%	0.366	C	S	.	.	S	Bend	trans	-73.7	158.6	173.6	-61.2	0	0	0	0	111	I267 M268 H273 E281 V282	I267-C271 PolarHBondContact O-N 3.29Å; I267-C271 PolarHBondContact O-SG 3.09Å; I267-C271 VanDerWaalsContact O-SG 3.35Å; M268-C271 WeakPolarHBondContact O-CB 3.2Å; M268-C271 PolarHBondContact O-N 2.93Å; C271-H273 PolarHBondContact O-N 2.86Å; C271-H273 PolarHBondContact O-ND1 3.17Å; C271-E281 HydrophobicContact CB-CB 4.48Å; C271-E281 HydrophobicContact CB-CG 4.09Å; C271-V282 HydrophobicContact CB-CG2 3.95Å
272	S	67.9	Low	82.2	Confident	54 Å²	54	70.3 Å²	70.3	38%	0.378	35%	0.346	S	S	.	.			trans	-56.2	136.3	179.7	-170.7	0	0	0	0	111.6	N274 H278 E281	S272-N274 PolarHBondContact O-N 3.03Å; S272-N274 PolarHBondContact OG-N 3.03Å; S272-H278 WeakPolarHBondContact O-CB 3.14Å; S272-H278 PolarHBondContact O-ND1 2.81Å; S272-E281 WeakPolarHBondContact CA-OE2 3.29Å; S272-E281 WeakPolarHBondContact CB-OE2 3.34Å; S272-E281 PolarHBondContact N-OE2 3.1Å
273	H	70.4	Confident	82.1	Confident	156 Å²	156	71.6 Å²	71.6	72%	0.722	35%	0.349	S	S	*	.			trans	-79	2.2	176.6	-69.9	37.6	0	0	0	112.9	R269 C271 P275	R269-H273 PolarHBondContact O-CE1 3.5Å; C271-H273 PolarHBondContact O-N 2.86Å; C271-H273 PolarHBondContact O-ND1 3.17Å; H273-P275 VanDerWaalsContact O-CD 3.25Å; H273-P275 WeakPolarHBondContact O-CD 3.4Å
274	N	74.3	Confident	81.6	Confident	77 Å²	77	76.5 Å²	76.5	41%	0.412	38%	0.379	S	S	.	.			trans	-68.5	113.8	174.3	-178.7	-29.5	0	0	0	110.1	S272 A276 R277 H278	S272-N274 PolarHBondContact O-N 3.03Å; S272-N274 PolarHBondContact OG-N 3.03Å; N274-A276 PolarHBondContact O-N 3.03Å; N274-A276 VanDerWaalsContact O-N 3.12Å; N274-A276 PolarHBondContact OD1-N 2.93Å; N274-A276 VanDerWaalsContact OD1-N 3.11Å; N274-R277 PolarHBondContact O-N 3.38Å; N274-H278 WeakPolarHBondContact O-CB 3.44Å; N274-H278 PolarHBondContact O-N 3.06Å
275	P	66.7	Low	81.2	Confident	115 Å²	115	80.2 Å²	80.2	75%	0.747	40%	0.399	S	S	*	.	H	α-helix	trans	-58.7	-32.4	-172.5	-26	35.7	0	0	0	114.1	H273 R277	H273-P275 VanDerWaalsContact O-CD 3.25Å; H273-P275 WeakPolarHBondContact O-CD 3.4Å; P275-R277 PolarHBondContact O-N 2.9Å
276	A	71.9	Confident	81	Confident	87 Å²	87	78.6 Å²	78.6	72%	0.719	39%	0.393	S	S	*	.	H	α-helix	trans	-76.5	-4.3	-179.3	0	0	0	0	0	114.2	N274	N274-A276 PolarHBondContact O-N 3.03Å; N274-A276 VanDerWaalsContact O-N 3.12Å; N274-A276 PolarHBondContact OD1-N 2.93Å; N274-A276 VanDerWaalsContact OD1-N 3.11Å
277	R	77.7	Confident	80.8	Confident	178 Å²	178	78.2 Å²	78.2	67%	0.672	39%	0.39	S	S	*	.	H	α-helix	trans	-128.7	-22.2	174.8	-67.7	-173.1	178.4	179.7	0.6	113.9	N274 P275 Q279 D280 E281	N274-R277 PolarHBondContact O-N 3.38Å; P275-R277 PolarHBondContact O-N 2.9Å; R277-Q279 PolarHBondContact O-N 3.48Å; R277-D280 PolarHBondContact O-N 2.89Å; R277-E281 WeakPolarHBondContact O-CB 3.39Å; R277-E281 PolarHBondContact O-N 3.03Å
278	H	80.4	Confident	80.5	Confident	50 Å²	50	80.3 Å²	80.3	23%	0.231	40%	0.402	C	S	.	.	H	α-helix	trans	-52.2	-50.9	-174.2	-176.8	76.5	0	0	0	113.2	S272 N274 D280 E281 V282	S272-H278 WeakPolarHBondContact O-CB 3.14Å; S272-H278 PolarHBondContact O-ND1 2.81Å; N274-H278 WeakPolarHBondContact O-CB 3.44Å; N274-H278 PolarHBondContact O-N 3.06Å; H278-D280 VanDerWaalsContact C-N 3.33Å; H278-D280 PolarHBondContact O-N 3.07Å; H278-E281 PolarHBondContact O-N 2.76Å; H278-V282 WeakPolarHBondContact O-CB 3.39Å; H278-V282 VanDerWaalsContact O-CG2 3.27Å; H278-V282 WeakPolarHBondContact O-CG2 3.32Å; H278-V282 PolarHBondContact O-N 3.01Å
279	Q	83.5	Confident	80.4	Confident	81 Å²	81	81.6 Å²	81.6	38%	0.379	41%	0.408	S	S	.	.	H	α-helix	trans	-63.5	-39.1	-177.6	-62.3	-165.3	9.1	0	0	112.8	R277 R283 F307	R277-Q279 PolarHBondContact O-N 3.48Å; Q279-R283 WeakPolarHBondContact O-CB 3.35Å; Q279-R283 VanDerWaalsContact O-CG 3.28Å; Q279-R283 WeakPolarHBondContact O-CG 3.28Å; Q279-R283 PolarHBondContact O-N 3.06Å; Q279-F307 HydrophobicContact CB-CD2 4.47Å; Q279-F307 HydrophobicContact CB-CE1 4.23Å; Q279-F307 HydrophobicContact CB-CE2 3.97Å; Q279-F307 HydrophobicContact CB-CZ 3.83Å; Q279-F307 HydrophobicContact CG-CD1 3.96Å; Q279-F307 HydrophobicContact CG-CD2 4.18Å; Q279-F307 HydrophobicContact CG-CE1 3.89Å; Q279-F307 HydrophobicContact CG-CE2 4.12Å; Q279-F307 HydrophobicContact CG-CG 4.1Å; Q279-F307 HydrophobicContact CG-CZ 3.96Å
280	D	82.8	Confident	80.5	Confident	98 Å²	98	77.6 Å²	77.6	52%	0.524	40%	0.398	S	S	.	.	H	α-helix	trans	-76.8	-36.8	-177.5	-69.2	-16.5	0	0	0	111.5	R277 H278 R283 V284	R277-D280 PolarHBondContact O-N 2.89Å; H278-D280 VanDerWaalsContact C-N 3.33Å; H278-D280 PolarHBondContact O-N 3.07Å; D280-R283 PolarHBondContact O-N 3.16Å; D280-R283 IonicContact OD1-NH1 3.63Å; D280-R283 PolarHBondContact OD1-NH1 3.34Å; D280-V284 WeakPolarHBondContact O-CB 3.29Å; D280-V284 VanDerWaalsContact O-CG2 3.27Å; D280-V284 WeakPolarHBondContact O-CG2 3.44Å; D280-V284 PolarHBondContact O-N 3.23Å
281	E	83.7	Confident	80.8	Confident	70 Å²	70	69.8 Å²	69.8	33%	0.327	37%	0.369	S	S	.	.	H	α-helix	trans	-64.1	-42.4	171.5	-172.4	178.9	179.7	0	0	111.6	C271 S272 R277 H278 V284 N285	C271-E281 HydrophobicContact CB-CB 4.48Å; C271-E281 HydrophobicContact CB-CG 4.09Å; S272-E281 WeakPolarHBondContact CA-OE2 3.29Å; S272-E281 WeakPolarHBondContact CB-OE2 3.34Å; S272-E281 PolarHBondContact N-OE2 3.1Å; R277-E281 WeakPolarHBondContact O-CB 3.39Å; R277-E281 PolarHBondContact O-N 3.03Å; H278-E281 PolarHBondContact O-N 2.76Å; E281-V284 PolarHBondContact O-N 2.72Å; E281-N285 WeakPolarHBondContact O-CB 3.4Å; E281-N285 PolarHBondContact O-N 2.98Å; E281-N285 PolarHBondContact O-ND2 2.92Å
282	V	85.4	Confident	81.1	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-58.1	-51.2	170.7	162.9	0	0	0	0	110.3	M268 C271 H278 V284 N285 V286 V305 F307	M268-V282 HydrophobicContact CB-CG2 4.34Å; M268-V282 HydrophobicContact CE-CB 4.48Å; M268-V282 HydrophobicContact CE-CG1 3.56Å; M268-V282 HydrophobicContact CE-CG2 4.09Å; M268-V282 HydrophobicContact CG-CG1 3.98Å; M268-V282 HydrophobicContact CG-CG2 4.14Å; M268-V282 HydrophobicContact SD-CG1 4.06Å; C271-V282 HydrophobicContact CB-CG2 3.95Å; H278-V282 WeakPolarHBondContact O-CB 3.39Å; H278-V282 VanDerWaalsContact O-CG2 3.27Å; H278-V282 WeakPolarHBondContact O-CG2 3.32Å; H278-V282 PolarHBondContact O-N 3.01Å; V282-V284 PolarHBondContact O-N 2.91Å; V282-N285 PolarHBondContact O-N 3.16Å; V282-V286 HydrophobicContact CG1-CG2 4.19Å; V282-V286 WeakPolarHBondContact O-CB 3.47Å; V282-V286 VanDerWaalsContact O-CG2 3.31Å; V282-V286 WeakPolarHBondContact O-CG2 3.14Å; V282-V286 PolarHBondContact O-N 3.46Å; V282-V305 HydrophobicContact CG1-CG1 4.4Å; V282-F307 HydrophobicContact CB-CZ 4.08Å; V282-F307 HydrophobicContact CG1-CE1 4.27Å; V282-F307 HydrophobicContact CG1-CZ 3.71Å
283	R	85.4	Confident	82.2	Confident	65 Å²	65	67 Å²	67	25%	0.245	35%	0.349	C	S	.	.	H	α-helix	trans	-58	-45.1	178.6	-77.3	174.2	-177.8	114.8	9.3	111.7	Q279 D280 N285 V286 L287 F307	Q279-R283 WeakPolarHBondContact O-CB 3.35Å; Q279-R283 VanDerWaalsContact O-CG 3.28Å; Q279-R283 WeakPolarHBondContact O-CG 3.28Å; Q279-R283 PolarHBondContact O-N 3.06Å; D280-R283 PolarHBondContact O-N 3.16Å; D280-R283 IonicContact OD1-NH1 3.63Å; D280-R283 PolarHBondContact OD1-NH1 3.34Å; R283-N285 VanDerWaalsContact C-N 3.33Å; R283-N285 PolarHBondContact O-N 3.19Å; R283-V286 PolarHBondContact O-N 3.45Å; R283-L287 HydrophobicContact CB-CD1 3.81Å; R283-L287 HydrophobicContact CB-CG 4.2Å; R283-L287 HydrophobicContact CG-CD1 4.14Å; R283-L287 VanDerWaalsContact O-CB 3.22Å; R283-L287 WeakPolarHBondContact O-CB 3.32Å; R283-L287 WeakPolarHBondContact O-CG 3.31Å; R283-L287 PolarHBondContact O-N 3.05Å; R283-F307 HydrophobicContact CG-CE2 4.47Å; R283-F307 VanDerWaalsContact NH2-CD2 3.32Å
284	V	82.1	Confident	82.6	Confident	122 Å²	122	62.8 Å²	62.8	74%	0.739	33%	0.332	S	S	*	.	H	α-helix	trans	-61.8	-38	177.9	167	0	0	0	0	112.4	D280 E281 V282	D280-V284 WeakPolarHBondContact O-CB 3.29Å; D280-V284 VanDerWaalsContact O-CG2 3.27Å; D280-V284 WeakPolarHBondContact O-CG2 3.44Å; D280-V284 PolarHBondContact O-N 3.23Å; E281-V284 PolarHBondContact O-N 2.72Å; V282-V284 PolarHBondContact O-N 2.91Å
285	N	83.4	Confident	83.1	Confident	79 Å²	79	61 Å²	61	42%	0.422	32%	0.32	S	S	.	.	H	α-helix	trans	-83.1	-29.2	-179.5	-77.4	-70.5	0	0	0	114.4	I267 E281 V282 R283 L289	I267-N285 HydrophobicContact CG2-CB 4.34Å; E281-N285 WeakPolarHBondContact O-CB 3.4Å; E281-N285 PolarHBondContact O-N 2.98Å; E281-N285 PolarHBondContact O-ND2 2.92Å; V282-N285 PolarHBondContact O-N 3.16Å; R283-N285 VanDerWaalsContact C-N 3.33Å; R283-N285 PolarHBondContact O-N 3.19Å; N285-L289 WeakPolarHBondContact O-CD1 3.16Å
286	V	87.5	Confident	83.9	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-103.6	-32.3	-168.3	173.6	0	0	0	0	113.4	I264 I267 M268 V282 R283 L289 I302 V305 L344	I264-V286 HydrophobicContact CD1-CG1 4.23Å; I264-V286 HydrophobicContact CG2-CG1 3.85Å; I264-V286 HydrophobicContact CG2-CG2 4.03Å; I267-V286 HydrophobicContact CG2-CG2 4.29Å; M268-V286 HydrophobicContact CG-CG2 4.13Å; V282-V286 HydrophobicContact CG1-CG2 4.19Å; V282-V286 WeakPolarHBondContact O-CB 3.47Å; V282-V286 VanDerWaalsContact O-CG2 3.31Å; V282-V286 WeakPolarHBondContact O-CG2 3.14Å; V282-V286 PolarHBondContact O-N 3.46Å; R283-V286 PolarHBondContact O-N 3.45Å; V286-L289 WeakPolarHBondContact O-CB 3.48Å; V286-L289 WeakPolarHBondContact O-CG 3.23Å; V286-L289 PolarHBondContact O-N 2.93Å; V286-I302 HydrophobicContact CG1-CD1 3.48Å; V286-I302 VanDerWaalsContact CG1-CD1 3.48Å; V286-I302 HydrophobicContact CG1-CG2 4.17Å; V286-V305 HydrophobicContact CG1-CG2 3.97Å; V286-L344 HydrophobicContact CG1-CD2 4.09Å
287	L	86.6	Confident	84.3	Confident	55 Å²	55	54.3 Å²	54.3	29%	0.288	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	148.4	-177.5	-63.8	179	0	0	0	112.4	R283 L289 I302 D304 V305	R283-L287 HydrophobicContact CB-CD1 3.81Å; R283-L287 HydrophobicContact CB-CG 4.2Å; R283-L287 HydrophobicContact CG-CD1 4.14Å; R283-L287 VanDerWaalsContact O-CB 3.22Å; R283-L287 WeakPolarHBondContact O-CB 3.32Å; R283-L287 WeakPolarHBondContact O-CG 3.31Å; R283-L287 PolarHBondContact O-N 3.05Å; L287-L289 PolarHBondContact O-N 3.02Å; L287-L289 VanDerWaalsContact O-N 3.08Å; L287-I302 HydrophobicContact CD2-CG2 4.14Å; L287-D304 VanDerWaalsContact CD2-CA 3.5Å; L287-V305 HydrophobicContact CD2-CG2 4.23Å
288	D	81.8	Confident	84.5	Confident	56 Å²	56	53.3 Å²	53.3	30%	0.299	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.5	-0.7	-172.5	-82.4	-14.4	0	0	0	116.2	R301 I302 R622	D288-R301 IonicContact OD1-CZ 2.74Å; D288-R301 IonicContact OD1-NE 3.96Å; D288-R301 PolarHBondContact OD1-NE 3.44Å; D288-R301 IonicContact OD1-NH2 2.77Å; D288-R301 PolarHBondContact OD1-NH2 2.99Å; D288-R301 IonicContact OD2-NH2 3.86Å; D288-R301 PolarHBondContact OD2-NH2 3.41Å; D288-R301 VanDerWaalsContact OD2-NH2 3.09Å; D288-I302 PolarHBondContact N-O 3.2Å; D288-R622 IonicContact OD2-CZ 3.07Å; D288-R622 IonicContact OD2-NH1 3.65Å; D288-R622 PolarHBondContact OD2-NH1 2.65Å
289	L	86.3	Confident	84.7	Confident	38 Å²	38	53.1 Å²	53.1	20%	0.199	27%	0.265	C	S	.	.			trans	-63.6	143.8	167.6	-65.7	-173.2	0	0	0	110.8	I264 N285 V286 L287 R301 I302 V370	I264-L289 HydrophobicContact CD1-CD1 3.91Å; N285-L289 WeakPolarHBondContact O-CD1 3.16Å; V286-L289 WeakPolarHBondContact O-CB 3.48Å; V286-L289 WeakPolarHBondContact O-CG 3.23Å; V286-L289 PolarHBondContact O-N 2.93Å; L287-L289 PolarHBondContact O-N 3.02Å; L287-L289 VanDerWaalsContact O-N 3.08Å; L289-R301 WeakPolarHBondContact O-CA 3.17Å; L289-I302 PolarHBondContact O-N 2.87Å; L289-V370 HydrophobicContact CD1-CG1 4.12Å; L289-V370 HydrophobicContact CD1-CG2 3.98Å; L289-V370 HydrophobicContact CD2-CG1 4.44Å
290	I	87.1	Confident	84.9	Confident	79 Å²	79	51 Å²	51	41%	0.405	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	114.7	168.7	-59.6	175.1	0	0	0	107.6	T299 Y300 R301 T371	I290-T299 HydrophobicContact CG2-CG2 4.23Å; I290-Y300 CarbonylContact C-O 3.54Å; I290-Y300 VanDerWaalsContact CA-O 3.31Å; I290-Y300 WeakPolarHBondContact CA-O 3.47Å; I290-R301 HydrophobicContact CG1-CB 4.43Å; I290-T371 WeakPolarHBondContact O-CB 3.34Å; I290-T371 WeakPolarHBondContact O-CG2 3.42Å; I290-T371 PolarHBondContact O-N 3.27Å; I290-T371 PolarHBondContact O-OG1 2.96Å
291	V	90	Very high	85.1	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	155.4	174.9	-67.9	0	0	0	0	111.3	I264 T299 Y300 I302 L363 C368 R369 V370	I264-V291 HydrophobicContact CD1-CG1 3.63Å; I264-V291 HydrophobicContact CG1-CG1 3.52Å; V291-T299 CarbonylContact O-C 3.57Å; V291-T299 WeakPolarHBondContact O-CA 3.38Å; V291-T299 WeakPolarHBondContact O-CB 3.27Å; V291-Y300 PolarHBondContact N-O 2.85Å; V291-Y300 PolarHBondContact O-N 3.1Å; V291-I302 HydrophobicContact CG1-CD1 3.81Å; V291-I302 HydrophobicContact CG1-CG1 4.38Å; V291-I302 HydrophobicContact CG2-CD1 4.49Å; V291-I302 HydrophobicContact CG2-CG1 4.26Å; V291-L363 HydrophobicContact CG2-CD1 4.42Å; V291-C368 HydrophobicContact CB-CB 3.98Å; V291-C368 HydrophobicContact CG1-CB 4.08Å; V291-C368 HydrophobicContact CG2-CB 4.12Å; V291-R369 CarbonylContact C-O 3.57Å; V291-R369 WeakPolarHBondContact CA-O 3.23Å; V291-V370 HydrophobicContact CG1-CG2 4.45Å
292	L	88.7	Confident	85.4	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	144.5	163.6	-170	78.9	0	0	0	108.7	V213 W234 M259 N297 R298 T299 C368 R369 T371	V213-L292 HydrophobicContact CG1-CD1 4.43Å; W234-L292 HydrophobicContact CH2-CD2 3.39Å; W234-L292 HydrophobicContact CZ2-CD2 4.01Å; W234-L292 HydrophobicContact CZ3-CD2 3.82Å; M259-L292 HydrophobicContact CE-CB 3.53Å; M259-L292 HydrophobicContact CE-CD2 3.58Å; M259-L292 HydrophobicContact CE-CG 4.19Å; M259-L292 HydrophobicContact SD-CB 4.38Å; M259-L292 HydrophobicContact SD-CD2 4.07Å; L292-N297 WeakPolarHBondContact CD1-O 3.48Å; L292-R298 WeakPolarHBondContact CA-O 3.39Å; L292-T299 HydrophobicContact CB-CG2 4.42Å; L292-T299 HydrophobicContact CD1-CG2 3.57Å; L292-C368 WeakPolarHBondContact O-CA 3.36Å; L292-R369 PolarHBondContact N-O 2.83Å; L292-R369 PolarHBondContact O-N 3.15Å; L292-T371 HydrophobicContact CB-CG2 4Å
293	T	89.6	Confident	85.6	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	104.9	168.4	44.1	0	0	0	0	110.4	Y295 N296 N297 R298 Y300 L363	T293-Y295 VanDerWaalsContact CB-CE1 3.44Å; T293-Y295 HydrophobicContact CG2-CE1 3.67Å; T293-Y295 WeakPolarHBondContact CG2-OH 3.48Å; T293-Y295 PolarHBondContact O-N 2.95Å; T293-N296 PolarHBondContact O-N 3.43Å; T293-N296 PolarHBondContact O-OD1 2.94Å; T293-N296 VanDerWaalsContact O-OD1 3.12Å; T293-N296 PolarHBondContact OG1-OD1 3.45Å; T293-N297 PolarHBondContact O-N 2.71Å; T293-R298 PolarHBondContact N-O 2.77Å; T293-R298 PolarHBondContact OG1-O 2.76Å; T293-Y300 HydrophobicContact CG2-CD2 4.27Å; T293-Y300 HydrophobicContact CG2-CE2 4.3Å; T293-Y300 WeakPolarHBondContact OG1-CE2 3.43Å; T293-L363 HydrophobicContact CG2-CD2 4.28Å
294	D	80.1	Confident	85.8	Confident	69 Å²	69	51.3 Å²	51.3	37%	0.369	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-27.2	-170.3	-71.4	14.1	0	0	0	113.6	N296 R369	D294-N296 PolarHBondContact O-N 3.02Å; D294-R369 WeakPolarHBondContact OD1-CD 3.3Å; D294-R369 WeakPolarHBondContact OD2-CD 3.38Å; D294-R369 IonicContact OD2-CZ 2.95Å; D294-R369 IonicContact OD2-NE 2.9Å; D294-R369 IonicContact OD2-NH1 3.88Å; D294-R369 PolarHBondContact OD2-NH1 3.14Å
295	Y	84.9	Confident	86.3	Confident	39 Å²	39	45.6 Å²	45.6	15%	0.153	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-7.9	179.3	63	-102.7	0	0	0	115.1	T293 Y328 Y332 I334 L367	T293-Y295 VanDerWaalsContact CB-CE1 3.44Å; T293-Y295 HydrophobicContact CG2-CE1 3.67Å; T293-Y295 WeakPolarHBondContact CG2-OH 3.48Å; T293-Y295 PolarHBondContact O-N 2.95Å; Y295-Y328 HydrophobicContact CD1-CE1 4.43Å; Y295-Y328 HydrophobicContact CE1-CD1 4.35Å; Y295-Y328 AromaticContact CE1-CE1 3.74Å; Y295-Y328 HydrophobicContact CE1-CE1 3.74Å; Y295-Y328 AromaticContact CE2-CE1 3.85Å; Y295-Y328 HydrophobicContact CE2-CE1 3.85Å; Y295-Y328 AromaticContact CZ-CE1 3.44Å; Y295-Y328 VanDerWaalsContact CZ-CE1 3.44Å; Y295-Y328 WeakPolarHBondContact OH-CE1 3.4Å; Y295-Y328 PolarHBondContact OH-OH 3.19Å; Y295-Y332 AromaticContact CD2-CD1 3.82Å; Y295-Y332 HydrophobicContact CD2-CD1 3.82Å; Y295-Y332 AromaticContact CD2-CD2 3.92Å; Y295-Y332 HydrophobicContact CD2-CD2 3.92Å; Y295-Y332 AromaticContact CD2-CE1 3.63Å; Y295-Y332 HydrophobicContact CD2-CE1 3.63Å; Y295-Y332 AromaticContact CD2-CE2 3.7Å; Y295-Y332 HydrophobicContact CD2-CE2 3.7Å; Y295-Y332 AromaticContact CD2-CG 3.96Å; Y295-Y332 HydrophobicContact CD2-CG 3.96Å; Y295-Y332 AromaticContact CD2-CZ 3.54Å; Y295-Y332 HydrophobicContact CE2-CD2 4.36Å; Y295-Y332 HydrophobicContact CE2-CE1 4.23Å; Y295-Y332 AromaticContact CE2-CE2 3.77Å; Y295-Y332 HydrophobicContact CE2-CE2 3.77Å; Y295-Y332 AromaticContact CE2-CZ 3.69Å; Y295-Y332 HydrophobicContact CG-CD1 4.43Å; Y295-Y332 HydrophobicContact CG-CD2 4.46Å; Y295-Y332 HydrophobicContact CG-CG 4.34Å; Y295-I334 VanDerWaalsContact CB-CD1 3.43Å; Y295-I334 HydrophobicContact CD1-CD1 4.35Å; Y295-I334 HydrophobicContact CG-CD1 4.2Å; Y295-L367 HydrophobicContact CD1-CB 4.17Å; Y295-L367 HydrophobicContact CD1-CD1 4.38Å; Y295-L367 HydrophobicContact CE1-CB 3.91Å; Y295-L367 HydrophobicContact CE1-CD1 4.25Å
296	N	83.6	Confident	86.7	Confident	35 Å²	35	43.7 Å²	43.7	19%	0.187	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-151.5	6.1	176.2	69.9	14.1	0	0	0	114.8	T293 D294 R298 Y332	T293-N296 PolarHBondContact O-N 3.43Å; T293-N296 PolarHBondContact O-OD1 2.94Å; T293-N296 VanDerWaalsContact O-OD1 3.12Å; T293-N296 PolarHBondContact OG1-OD1 3.45Å; D294-N296 PolarHBondContact O-N 3.02Å; N296-R298 HydrophobicContact CB-CG 4.47Å; N296-R298 PolarHBondContact O-N 2.83Å; N296-R298 VanDerWaalsContact OD1-CB 3.28Å; N296-R298 WeakPolarHBondContact OD1-CB 3.38Å; N296-R298 WeakPolarHBondContact OD1-CG 3.46Å; N296-R298 PolarHBondContact OD1-N 3.22Å; N296-Y332 HydrophobicContact CB-CE1 4.47Å
297	N	78.7	Confident	86.8	Confident	27 Å²	27	46.2 Å²	46.2	14%	0.144	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	23.4	-179.5	-62.7	-50.7	0	0	0	116	E211 W234 L292 T293	E211-N297 HydrophobicContact CB-CB 4.23Å; E211-N297 VanDerWaalsContact CD-ND2 3.27Å; E211-N297 HydrophobicContact CG-CB 3.89Å; E211-N297 PolarHBondContact OE1-ND2 2.89Å; W234-N297 WeakPolarHBondContact CH2-OD1 3.38Å; L292-N297 WeakPolarHBondContact CD1-O 3.48Å; T293-N297 PolarHBondContact O-N 2.71Å
298	R	82.8	Confident	87	Confident	156 Å²	156	47 Å²	47	59%	0.589	24%	0.241	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-89.7	143.7	176.4	-62.8	-177.9	-178.8	-163.8	-2.4	111.9	L292 T293 N296 Y300	L292-R298 WeakPolarHBondContact CA-O 3.39Å; T293-R298 PolarHBondContact N-O 2.77Å; T293-R298 PolarHBondContact OG1-O 2.76Å; N296-R298 HydrophobicContact CB-CG 4.47Å; N296-R298 PolarHBondContact O-N 2.83Å; N296-R298 VanDerWaalsContact OD1-CB 3.28Å; N296-R298 WeakPolarHBondContact OD1-CB 3.38Å; N296-R298 WeakPolarHBondContact OD1-CG 3.46Å; N296-R298 PolarHBondContact OD1-N 3.22Å; R298-Y300 HydrophobicContact CB-CD2 4.41Å; R298-Y300 HydrophobicContact CB-CE2 3.61Å; R298-Y300 WeakPolarHBondContact CD-OH 3.45Å
299	T	84.5	Confident	87.6	Confident	47 Å²	47	47.4 Å²	47.4	29%	0.288	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	138.2	172.3	52.1	0	0	0	0	112.8	V213 I290 V291 L292 T371	V213-T299 HydrophobicContact CG1-CG2 3.62Å; I290-T299 HydrophobicContact CG2-CG2 4.23Å; V291-T299 CarbonylContact O-C 3.57Å; V291-T299 WeakPolarHBondContact O-CA 3.38Å; V291-T299 WeakPolarHBondContact O-CB 3.27Å; L292-T299 HydrophobicContact CB-CG2 4.42Å; L292-T299 HydrophobicContact CD1-CG2 3.57Å; T299-T371 HydrophobicContact CG2-CG2 4.26Å
300	Y	87.4	Confident	88	Confident	37 Å²	37	47.4 Å²	47.4	15%	0.145	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	147.4	179	-61.4	-86.8	0	0	0	110	I290 V291 T293 R298 V361 L363	I290-Y300 CarbonylContact C-O 3.54Å; I290-Y300 VanDerWaalsContact CA-O 3.31Å; I290-Y300 WeakPolarHBondContact CA-O 3.47Å; V291-Y300 PolarHBondContact N-O 2.85Å; V291-Y300 PolarHBondContact O-N 3.1Å; T293-Y300 HydrophobicContact CG2-CD2 4.27Å; T293-Y300 HydrophobicContact CG2-CE2 4.3Å; T293-Y300 WeakPolarHBondContact OG1-CE2 3.43Å; R298-Y300 HydrophobicContact CB-CD2 4.41Å; R298-Y300 HydrophobicContact CB-CE2 3.61Å; R298-Y300 WeakPolarHBondContact CD-OH 3.45Å; Y300-V361 HydrophobicContact CD1-CB 4.47Å; Y300-V361 HydrophobicContact CD1-CG1 4.24Å; Y300-V361 HydrophobicContact CE1-CB 4.25Å; Y300-V361 HydrophobicContact CE1-CG1 3.78Å; Y300-V361 HydrophobicContact CE1-CG2 4.18Å; Y300-L363 HydrophobicContact CD1-CD1 4.27Å; Y300-L363 HydrophobicContact CD2-CD1 3.69Å; Y300-L363 HydrophobicContact CD2-CD2 4.25Å; Y300-L363 HydrophobicContact CE2-CD1 4.41Å; Y300-L363 HydrophobicContact CE2-CD2 4.15Å; Y300-L363 HydrophobicContact CG-CD1 3.6Å
301	R	88.3	Confident	88.4	Confident	127 Å²	127	43.7 Å²	43.7	48%	0.479	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	125.3	171.5	177.7	176.6	173.5	172	-1.4	108.3	D288 L289 I290 N303 S346	D288-R301 IonicContact OD1-CZ 2.74Å; D288-R301 IonicContact OD1-NE 3.96Å; D288-R301 PolarHBondContact OD1-NE 3.44Å; D288-R301 IonicContact OD1-NH2 2.77Å; D288-R301 PolarHBondContact OD1-NH2 2.99Å; D288-R301 IonicContact OD2-NH2 3.86Å; D288-R301 PolarHBondContact OD2-NH2 3.41Å; D288-R301 VanDerWaalsContact OD2-NH2 3.09Å; L289-R301 WeakPolarHBondContact O-CA 3.17Å; I290-R301 HydrophobicContact CG1-CB 4.43Å; R301-N303 PolarHBondContact O-N 3.25Å; R301-N303 PolarHBondContact O-OD1 2.93Å; R301-S346 WeakPolarHBondContact O-CB 3.36Å
302	I	90	Very high	88.7	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.005	25%	0.25	C	S	.	.			trans	-74.5	123.7	178.7	-51.4	172.1	0	0	0	108.3	I264 V286 L287 D288 L289 V291 D304 V305 L344	I264-I302 HydrophobicContact CD1-CD1 3.79Å; I264-I302 HydrophobicContact CG1-CD1 3.99Å; V286-I302 HydrophobicContact CG1-CD1 3.48Å; V286-I302 VanDerWaalsContact CG1-CD1 3.48Å; V286-I302 HydrophobicContact CG1-CG2 4.17Å; L287-I302 HydrophobicContact CD2-CG2 4.14Å; D288-I302 PolarHBondContact N-O 3.2Å; L289-I302 PolarHBondContact O-N 2.87Å; V291-I302 HydrophobicContact CG1-CD1 3.81Å; V291-I302 HydrophobicContact CG1-CG1 4.38Å; V291-I302 HydrophobicContact CG2-CD1 4.49Å; V291-I302 HydrophobicContact CG2-CG1 4.26Å; I302-D304 WeakPolarHBondContact CG2-O 3.36Å; I302-V305 HydrophobicContact CG2-CG2 4.34Å; I302-L344 HydrophobicContact CD1-CD1 3.84Å; I302-L344 HydrophobicContact CD1-CD2 4.31Å; I302-L344 HydrophobicContact CG1-CD1 4.44Å; I302-L344 HydrophobicContact CG2-CB 4.37Å; I302-L344 HydrophobicContact CG2-CD2 4.41Å
303	N	88.4	Confident	88.9	Confident	49 Å²	49	51.4 Å²	51.4	26%	0.262	26%	0.26	S	S	.	.			trans	-110.5	-23.7	179.7	-62.5	127.4	0	0	0	113.1	R301 I345 K347	R301-N303 PolarHBondContact O-N 3.25Å; R301-N303 PolarHBondContact O-OD1 2.93Å; N303-I345 PolarHBondContact N-O 3.36Å; N303-K347 PolarHBondContact OD1-N 2.93Å; N303-K347 PolarHBondContact OD1-O 3.26Å
304	D	90.1	Very high	89.1	Confident	61 Å²	61	55.5 Å²	55.5	33%	0.326	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	167	171.2	-138.5	-33.4	0	0	0	111.2	L287 I302 I345	L287-D304 VanDerWaalsContact CD2-CA 3.5Å; I302-D304 WeakPolarHBondContact CG2-O 3.36Å; D304-I345 HydrophobicContact CB-CB 3.96Å; D304-I345 HydrophobicContact CB-CD1 4.42Å; D304-I345 HydrophobicContact CB-CG2 4.41Å; D304-I345 PolarHBondContact N-O 3.39Å; D304-I345 VanDerWaalsContact N-O 3.16Å; D304-I345 PolarHBondContact O-N 2.93Å
305	V	91.7	Very high	89.6	Confident	2 Å²	2	55 Å²	55	1%	0.012	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	118	169.6	-176.3	0	0	0	0	108.4	M268 V282 V286 L287 I302 F307 P342 L344	M268-V305 HydrophobicContact CE-CG1 4.48Å; V282-V305 HydrophobicContact CG1-CG1 4.4Å; V286-V305 HydrophobicContact CG1-CG2 3.97Å; L287-V305 HydrophobicContact CD2-CG2 4.23Å; I302-V305 HydrophobicContact CG2-CG2 4.34Å; V305-F307 HydrophobicContact CB-CD2 4.47Å; V305-F307 HydrophobicContact CB-CE2 3.81Å; V305-F307 HydrophobicContact CB-CZ 4.21Å; V305-F307 HydrophobicContact CG1-CD2 4.12Å; V305-F307 HydrophobicContact CG1-CE1 4.25Å; V305-F307 HydrophobicContact CG1-CE2 3.61Å; V305-F307 HydrophobicContact CG1-CZ 3.7Å; V305-F307 VanDerWaalsContact O-CD2 3.29Å; V305-F307 WeakPolarHBondContact O-CD2 3.43Å; V305-F307 WeakPolarHBondContact O-CE2 3.42Å; V305-P342 HydrophobicContact CG1-CB 4.26Å; V305-P342 HydrophobicContact CG1-CG 4.27Å; V305-L344 HydrophobicContact CG1-CD2 4.31Å; V305-L344 HydrophobicContact CG2-CD2 3.95Å
306	D	92.4	Very high	89.7	Confident	40 Å²	40	56.8 Å²	56.8	21%	0.214	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	111.7	-179.2	-171.6	-22.3	0	0	0	109.9	G308 Q309 P342 L343 I345	D306-G308 WeakPolarHBondContact OD1-CA 3.45Å; D306-G308 PolarHBondContact OD1-N 3.41Å; D306-Q309 PolarHBondContact OD1-N 3.39Å; D306-Q309 VanDerWaalsContact OD1-N 3.11Å; D306-Q309 PolarHBondContact OD2-NE2 2.66Å; D306-P342 WeakPolarHBondContact O-CA 3.45Å; D306-P342 WeakPolarHBondContact O-CB 3.2Å; D306-L343 PolarHBondContact N-O 2.84Å; D306-L343 PolarHBondContact O-N 2.84Å; D306-I345 HydrophobicContact CB-CD1 3.9Å; D306-I345 HydrophobicContact CB-CG1 4.33Å
307	F	90.2	Very high	89.4	Confident	53 Å²	53	57.3 Å²	57.3	23%	0.232	30%	0.304	C	S	.	.	S	Bend	trans	-94.9	-0.9	178.7	-60.2	-98.9	0	0	0	113.2	M268 Q279 V282 R283 V305 P342	M268-F307 HydrophobicContact CE-CE1 4.27Å; Q279-F307 HydrophobicContact CB-CD2 4.47Å; Q279-F307 HydrophobicContact CB-CE1 4.23Å; Q279-F307 HydrophobicContact CB-CE2 3.97Å; Q279-F307 HydrophobicContact CB-CZ 3.83Å; Q279-F307 HydrophobicContact CG-CD1 3.96Å; Q279-F307 HydrophobicContact CG-CD2 4.18Å; Q279-F307 HydrophobicContact CG-CE1 3.89Å; Q279-F307 HydrophobicContact CG-CE2 4.12Å; Q279-F307 HydrophobicContact CG-CG 4.1Å; Q279-F307 HydrophobicContact CG-CZ 3.96Å; V282-F307 HydrophobicContact CB-CZ 4.08Å; V282-F307 HydrophobicContact CG1-CE1 4.27Å; V282-F307 HydrophobicContact CG1-CZ 3.71Å; R283-F307 HydrophobicContact CG-CE2 4.47Å; R283-F307 VanDerWaalsContact NH2-CD2 3.32Å; V305-F307 HydrophobicContact CB-CD2 4.47Å; V305-F307 HydrophobicContact CB-CE2 3.81Å; V305-F307 HydrophobicContact CB-CZ 4.21Å; V305-F307 HydrophobicContact CG1-CD2 4.12Å; V305-F307 HydrophobicContact CG1-CE1 4.25Å; V305-F307 HydrophobicContact CG1-CE2 3.61Å; V305-F307 HydrophobicContact CG1-CZ 3.7Å; V305-F307 VanDerWaalsContact O-CD2 3.29Å; V305-F307 WeakPolarHBondContact O-CD2 3.43Å; V305-F307 WeakPolarHBondContact O-CE2 3.42Å; F307-P342 HydrophobicContact CB-CB 4.46Å; F307-P342 HydrophobicContact CD1-CB 3.86Å; F307-P342 HydrophobicContact CD1-CG 3.99Å; F307-P342 HydrophobicContact CE1-CB 4.42Å; F307-P342 HydrophobicContact CE1-CG 4.13Å; F307-P342 HydrophobicContact CG-CB 4.18Å
308	G	90.9	Very high	89.3	Confident	72 Å²	72	66.3 Å²	66.3	74%	0.742	34%	0.342	S	S	*	.	S	Bend	trans	-91.3	-24.5	173.5	0	0	0	0	0	113	D306	D306-G308 WeakPolarHBondContact OD1-CA 3.45Å; D306-G308 PolarHBondContact OD1-N 3.41Å
309	Q	93.4	Very high	89.1	Confident	63 Å²	63	62.2 Å²	62.2	29%	0.294	35%	0.348	S	S	.	.			trans	-99.3	156.4	174.6	-66	-174	75.7	0	0	113	D306 L343	D306-Q309 PolarHBondContact OD1-N 3.39Å; D306-Q309 VanDerWaalsContact OD1-N 3.11Å; D306-Q309 PolarHBondContact OD2-NE2 2.66Å; Q309-L343 HydrophobicContact CB-CD1 3.57Å; Q309-L343 HydrophobicContact CB-CG 4.02Å
310	T	95.1	Very high	89.2	Confident	39 Å²	39	69.7 Å²	69.7	24%	0.239	37%	0.371	C	S	.	.			trans	-140	171.2	-179.2	63.3	0	0	0	0	110.5	K312 S313 H339	T310-K312 PolarHBondContact O-N 2.73Å; T310-K312 PolarHBondContact OG1-N 2.95Å; T310-S313 PolarHBondContact N-OG 2.83Å; T310-S313 VanDerWaalsContact N-OG 3.08Å; T310-S313 WeakPolarHBondContact O-CB 3.33Å; T310-S313 PolarHBondContact O-N 3.45Å; T310-S313 PolarHBondContact O-OG 3.14Å; T310-H339 WeakPolarHBondContact CB-O 3.48Å
311	P	96.1	Very high	89.3	Confident	0 Å²	0	73.5 Å²	73.5	0%	0	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-22	171.3	-32	36.5	0	0	0	115.9	S313 F324 V325 I336 Q341 L343 I364	P311-S313 VanDerWaalsContact C-N 3.35Å; P311-F324 WeakPolarHBondContact O-CB 3.41Å; P311-F324 PolarHBondContact O-N 3.19Å; P311-V325 HydrophobicContact CB-CG2 3.84Å; P311-V325 PolarHBondContact O-N 3.08Å; P311-I336 HydrophobicContact CB-CD1 3.9Å; P311-I336 HydrophobicContact CB-CG2 4.14Å; P311-I336 HydrophobicContact CG-CD1 4.41Å; P311-I336 HydrophobicContact CG-CG2 3.99Å; P311-Q341 WeakPolarHBondContact CD-O 3.24Å; P311-Q341 HydrophobicContact CG-CG 3.78Å; P311-L343 HydrophobicContact CG-CD2 4.44Å; P311-I364 HydrophobicContact CG-CD1 4.34Å
312	K	95.1	Very high	89.6	Confident	131 Å²	131	69.2 Å²	69.2	57%	0.57	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-18.1	174.4	-69.4	173.2	170.8	171.3	0	113.3	T310 H339	T310-K312 PolarHBondContact O-N 2.73Å; T310-K312 PolarHBondContact OG1-N 2.95Å; K312-H339 HydrophobicContact CD-CB 4.39Å; K312-H339 HydrophobicContact CG-CB 4.37Å
313	S	94.4	Very high	89.9	Confident	31 Å²	31	69.5 Å²	69.5	22%	0.217	38%	0.383	C	S	.	.			trans	-62.7	147.5	174.8	-58.3	0	0	0	0	110.8	T310 P311 F324	T310-S313 PolarHBondContact N-OG 2.83Å; T310-S313 VanDerWaalsContact N-OG 3.08Å; T310-S313 WeakPolarHBondContact O-CB 3.33Å; T310-S313 PolarHBondContact O-N 3.45Å; T310-S313 PolarHBondContact O-OG 3.14Å; P311-S313 VanDerWaalsContact C-N 3.35Å; S313-F324 WeakPolarHBondContact O-CD2 3.43Å; S313-F324 PolarHBondContact O-N 2.72Å
314	T	92.3	Very high	90.2	Very high	87 Å²	87	67.6 Å²	67.6	53%	0.534	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	157.3	-178.7	52.2	0	0	0	0	112.1	I322	T314-I322 VanDerWaalsContact CA-O 3.29Å; T314-I322 WeakPolarHBondContact CA-O 3.4Å
315	F	90.5	Very high	90.4	Very high	57 Å²	57	66.3 Å²	66.3	25%	0.25	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	152.3	169.8	73.3	-80.1	0	0	0	110.8	C317 I322 F324 Y327	F315-C317 HydrophobicContact CD2-CB 4.48Å; F315-C317 HydrophobicContact CE2-CB 3.92Å; F315-C317 HydrophobicContact CZ-CB 4.45Å; F315-C317 PolarHBondContact O-N 3.23Å; F315-I322 HydrophobicContact CD1-CG2 4.37Å; F315-I322 HydrophobicContact CE1-CG2 3.91Å; F315-I322 HydrophobicContact CE2-CG2 4.48Å; F315-I322 HydrophobicContact CZ-CG2 3.97Å; F315-I322 PolarHBondContact N-O 2.66Å; F315-I322 PolarHBondContact O-N 3.46Å; F315-I322 VanDerWaalsContact O-N 3.12Å; F315-F324 HydrophobicContact CB-CZ 4.32Å; F315-F324 AromaticContact CD1-CD1 3.73Å; F315-F324 HydrophobicContact CD1-CD1 3.73Å; F315-F324 AromaticContact CD1-CE1 3.47Å; F315-F324 HydrophobicContact CD1-CE1 3.47Å; F315-F324 VanDerWaalsContact CD1-CE1 3.47Å; F315-F324 HydrophobicContact CD1-CE2 4.38Å; F315-F324 HydrophobicContact CD1-CG 4.3Å; F315-F324 AromaticContact CD1-CZ 3.82Å; F315-F324 HydrophobicContact CD1-CZ 3.82Å; F315-F324 AromaticContact CE1-CD1 3.69Å; F315-F324 HydrophobicContact CE1-CD1 3.69Å; F315-F324 AromaticContact CE1-CE1 3.79Å; F315-F324 HydrophobicContact CE1-CE1 3.79Å; F315-F324 HydrophobicContact CE1-CG 4.41Å; F315-F324 HydrophobicContact CG-CE1 4.14Å; F315-F324 HydrophobicContact CG-CZ 4.3Å; F315-Y327 HydrophobicContact CE1-CD1 4.19Å; F315-Y327 HydrophobicContact CE1-CD2 4.46Å; F315-Y327 AromaticContact CE1-CG 3.94Å; F315-Y327 HydrophobicContact CE1-CG 3.94Å; F315-Y327 AromaticContact CZ-CD1 3.92Å; F315-Y327 HydrophobicContact CZ-CD1 3.92Å; F315-Y327 AromaticContact CZ-CD2 3.72Å; F315-Y327 HydrophobicContact CZ-CD2 3.72Å; F315-Y327 HydrophobicContact CZ-CE1 4.26Å; F315-Y327 HydrophobicContact CZ-CE2 4.08Å; F315-Y327 AromaticContact CZ-CG 3.61Å; F315-Y327 HydrophobicContact CZ-CG 3.61Å
316	S	87.4	Confident	90.5	Very high	77 Å²	77	71 Å²	71	54%	0.538	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	122.2	-178.7	-149.3	0	0	0	0	112.5	D321	S316-D321 WeakPolarHBondContact CA-OD1 3.23Å; S316-D321 WeakPolarHBondContact CB-OD1 3.39Å; S316-D321 PolarHBondContact OG-OD1 2.97Å
317	C	78.8	Confident	90.6	Very high	46 Å²	46	70.9 Å²	70.9	31%	0.311	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	100.8	-178.2	-170	0	0	0	0	109.5	F315 G319 R320 I322	F315-C317 HydrophobicContact CD2-CB 4.48Å; F315-C317 HydrophobicContact CE2-CB 3.92Å; F315-C317 HydrophobicContact CZ-CB 4.45Å; F315-C317 PolarHBondContact O-N 3.23Å; C317-G319 VanDerWaalsContact C-N 3.3Å; C317-G319 PolarHBondContact O-N 2.81Å; C317-R320 PolarHBondContact N-O 2.77Å; C317-R320 PolarHBondContact O-N 2.77Å; C317-I322 HydrophobicContact CB-CG2 3.82Å
318	K	75.4	Confident	90.9	Very high	217 Å²	217	68.7 Å²	68.7	94%	0.943	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	36.3	-175.5	-52.4	177.7	178.5	177.3	0	114.2
319	G	79.5	Confident	91.1	Very high	69 Å²	69	68.4 Å²	68.4	71%	0.711	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.5	17.8	-179.4	0	0	0	0	0	114.6	C317	C317-G319 VanDerWaalsContact C-N 3.3Å; C317-G319 PolarHBondContact O-N 2.81Å
320	R	86.3	Confident	91	Very high	205 Å²	205	70.9 Å²	70.9	77%	0.774	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.5	131.2	162.4	-65.6	-174.2	-179	-171.8	-1.2	108.9	C317	C317-R320 PolarHBondContact N-O 2.77Å; C317-R320 PolarHBondContact O-N 2.77Å
321	D	90	Very high	90.9	Very high	116 Å²	116	74.5 Å²	74.5	62%	0.62	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83	136.5	174.4	-62.7	-12.2	0	0	0	109.2	S316	S316-D321 WeakPolarHBondContact CA-OD1 3.23Å; S316-D321 WeakPolarHBondContact CB-OD1 3.39Å; S316-D321 PolarHBondContact OG-OD1 2.97Å
322	I	94.6	Very high	90.7	Very high	37 Å²	37	77.4 Å²	77.4	19%	0.19	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	142.1	-172.5	-171.5	169.6	0	0	0	109.1	T314 F315 C317 E326	T314-I322 VanDerWaalsContact CA-O 3.29Å; T314-I322 WeakPolarHBondContact CA-O 3.4Å; F315-I322 HydrophobicContact CD1-CG2 4.37Å; F315-I322 HydrophobicContact CE1-CG2 3.91Å; F315-I322 HydrophobicContact CE2-CG2 4.48Å; F315-I322 HydrophobicContact CZ-CG2 3.97Å; F315-I322 PolarHBondContact N-O 2.66Å; F315-I322 PolarHBondContact O-N 3.46Å; F315-I322 VanDerWaalsContact O-N 3.12Å; C317-I322 HydrophobicContact CB-CG2 3.82Å; I322-E326 HydrophobicContact CD1-CB 3.98Å; I322-E326 HydrophobicContact CG1-CB 3.56Å
323	S	94.8	Very high	90.7	Very high	8 Å²	8	77.6 Å²	77.6	6%	0.056	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	157.5	174.5	76.9	0	0	0	0	111.1	V325 E326 Y327	S323-V325 VanDerWaalsContact C-N 3.26Å; S323-V325 PolarHBondContact O-N 3.06Å; S323-E326 VanDerWaalsContact CB-OE1 3.26Å; S323-E326 WeakPolarHBondContact CB-OE1 3.49Å; S323-E326 PolarHBondContact N-OE2 2.86Å; S323-E326 VanDerWaalsContact N-OE2 3.13Å; S323-E326 PolarHBondContact O-N 3Å; S323-E326 WeakPolarHBondContact OG-CG 3.27Å; S323-E326 PolarHBondContact OG-N 2.91Å; S323-E326 VanDerWaalsContact OG-N 3.08Å; S323-E326 PolarHBondContact OG-OE1 2.94Å; S323-Y327 WeakPolarHBondContact O-CB 3.49Å; S323-Y327 PolarHBondContact O-N 3.07Å
324	F	94.7	Very high	90.7	Very high	8 Å²	8	78.3 Å²	78.3	4%	0.035	41%	0.408	C	S	.	.	H	α-helix	trans	-61.8	-37.8	173.4	-65.2	-77.2	0	0	0	111.4	P311 S313 F315 Y327 Y328 L343 V362 I364	P311-F324 WeakPolarHBondContact O-CB 3.41Å; P311-F324 PolarHBondContact O-N 3.19Å; S313-F324 WeakPolarHBondContact O-CD2 3.43Å; S313-F324 PolarHBondContact O-N 2.72Å; F315-F324 HydrophobicContact CB-CZ 4.32Å; F315-F324 AromaticContact CD1-CD1 3.73Å; F315-F324 HydrophobicContact CD1-CD1 3.73Å; F315-F324 AromaticContact CD1-CE1 3.47Å; F315-F324 HydrophobicContact CD1-CE1 3.47Å; F315-F324 VanDerWaalsContact CD1-CE1 3.47Å; F315-F324 HydrophobicContact CD1-CE2 4.38Å; F315-F324 HydrophobicContact CD1-CG 4.3Å; F315-F324 AromaticContact CD1-CZ 3.82Å; F315-F324 HydrophobicContact CD1-CZ 3.82Å; F315-F324 AromaticContact CE1-CD1 3.69Å; F315-F324 HydrophobicContact CE1-CD1 3.69Å; F315-F324 AromaticContact CE1-CE1 3.79Å; F315-F324 HydrophobicContact CE1-CE1 3.79Å; F315-F324 HydrophobicContact CE1-CG 4.41Å; F315-F324 HydrophobicContact CG-CE1 4.14Å; F315-F324 HydrophobicContact CG-CZ 4.3Å; F324-Y327 PolarHBondContact O-N 2.76Å; F324-Y328 HydrophobicContact CB-CD2 4.26Å; F324-Y328 HydrophobicContact CB-CE2 4.31Å; F324-Y328 HydrophobicContact CD1-CE2 4.22Å; F324-Y328 WeakPolarHBondContact O-CD2 3.39Å; F324-Y328 PolarHBondContact O-N 2.87Å; F324-L343 HydrophobicContact CD2-CD1 3.84Å; F324-L343 HydrophobicContact CE2-CD1 3.39Å; F324-L343 HydrophobicContact CZ-CD1 3.99Å; F324-V362 HydrophobicContact CE1-CB 3.92Å; F324-V362 HydrophobicContact CE1-CG1 4.05Å; F324-V362 HydrophobicContact CE2-CG1 4.35Å; F324-V362 HydrophobicContact CZ-CB 3.81Å; F324-V362 HydrophobicContact CZ-CG1 3.67Å; F324-V362 HydrophobicContact CZ-CG2 4.38Å; F324-I364 HydrophobicContact CB-CD1 3.96Å; F324-I364 HydrophobicContact CD1-CD1 4.48Å; F324-I364 HydrophobicContact CG-CD1 4.2Å
325	V	95.5	Very high	90.8	Very high	35 Å²	35	83.8 Å²	83.8	21%	0.212	42%	0.419	C	S	.	.	H	α-helix	trans	-57.1	-52.5	175.4	176.4	0	0	0	0	111.3	P311 S323 Y327 Y328 L329 I336	P311-V325 HydrophobicContact CB-CG2 3.84Å; P311-V325 PolarHBondContact O-N 3.08Å; S323-V325 VanDerWaalsContact C-N 3.26Å; S323-V325 PolarHBondContact O-N 3.06Å; V325-Y327 PolarHBondContact O-N 2.9Å; V325-Y328 PolarHBondContact O-N 3.1Å; V325-L329 VanDerWaalsContact O-CB 3.31Å; V325-L329 WeakPolarHBondContact O-CB 3.47Å; V325-L329 PolarHBondContact O-N 3.33Å; V325-I336 HydrophobicContact CG2-CD1 4.16Å
326	E	94.3	Very high	91.1	Very high	99 Å²	99	81.5 Å²	81.5	46%	0.463	41%	0.409	S	S	.	.	H	α-helix	trans	-61.2	-42.6	177.3	-74.6	140.3	-125.4	0	0	112.2	I322 S323 L329 T330	I322-E326 HydrophobicContact CD1-CB 3.98Å; I322-E326 HydrophobicContact CG1-CB 3.56Å; S323-E326 VanDerWaalsContact CB-OE1 3.26Å; S323-E326 WeakPolarHBondContact CB-OE1 3.49Å; S323-E326 PolarHBondContact N-OE2 2.86Å; S323-E326 VanDerWaalsContact N-OE2 3.13Å; S323-E326 PolarHBondContact O-N 3Å; S323-E326 WeakPolarHBondContact OG-CG 3.27Å; S323-E326 PolarHBondContact OG-N 2.91Å; S323-E326 VanDerWaalsContact OG-N 3.08Å; S323-E326 PolarHBondContact OG-OE1 2.94Å; E326-L329 PolarHBondContact O-N 3.44Å; E326-T330 WeakPolarHBondContact O-CB 3.34Å; E326-T330 PolarHBondContact O-N 3.02Å; E326-T330 PolarHBondContact O-OG1 3.32Å
327	Y	94.5	Very high	91.4	Very high	39 Å²	39	87.3 Å²	87.3	15%	0.153	42%	0.419	C	S	.	.	H	α-helix	trans	-64.5	-45.1	-179	169.3	-102.2	0	0	0	112.3	F315 S323 F324 V325 K331 Y332	F315-Y327 HydrophobicContact CE1-CD1 4.19Å; F315-Y327 HydrophobicContact CE1-CD2 4.46Å; F315-Y327 AromaticContact CE1-CG 3.94Å; F315-Y327 HydrophobicContact CE1-CG 3.94Å; F315-Y327 AromaticContact CZ-CD1 3.92Å; F315-Y327 HydrophobicContact CZ-CD1 3.92Å; F315-Y327 AromaticContact CZ-CD2 3.72Å; F315-Y327 HydrophobicContact CZ-CD2 3.72Å; F315-Y327 HydrophobicContact CZ-CE1 4.26Å; F315-Y327 HydrophobicContact CZ-CE2 4.08Å; F315-Y327 AromaticContact CZ-CG 3.61Å; F315-Y327 HydrophobicContact CZ-CG 3.61Å; S323-Y327 WeakPolarHBondContact O-CB 3.49Å; S323-Y327 PolarHBondContact O-N 3.07Å; F324-Y327 PolarHBondContact O-N 2.76Å; V325-Y327 PolarHBondContact O-N 2.9Å; Y327-K331 HydrophobicContact CD2-CD 4.22Å; Y327-K331 HydrophobicContact CE2-CD 3.41Å; Y327-K331 VanDerWaalsContact CE2-CD 3.41Å; Y327-K331 WeakPolarHBondContact O-CB 3.36Å; Y327-K331 PolarHBondContact O-N 3.01Å; Y327-K331 PolarHBondContact OH-NZ 3.07Å; Y327-Y332 HydrophobicContact CE1-CE2 4.08Å
328	Y	95	Very high	92.1	Very high	6 Å²	6	87 Å²	87	2%	0.024	41%	0.414	C	S	.	.	H	α-helix	trans	-70.5	-34.3	178.9	-77	-68.3	0	0	0	112.3	Y295 F324 V325 Y332 N333 I334 I336 I364 L367	Y295-Y328 HydrophobicContact CD1-CE1 4.43Å; Y295-Y328 HydrophobicContact CE1-CD1 4.35Å; Y295-Y328 AromaticContact CE1-CE1 3.74Å; Y295-Y328 HydrophobicContact CE1-CE1 3.74Å; Y295-Y328 AromaticContact CE2-CE1 3.85Å; Y295-Y328 HydrophobicContact CE2-CE1 3.85Å; Y295-Y328 AromaticContact CZ-CE1 3.44Å; Y295-Y328 VanDerWaalsContact CZ-CE1 3.44Å; Y295-Y328 WeakPolarHBondContact OH-CE1 3.4Å; Y295-Y328 PolarHBondContact OH-OH 3.19Å; F324-Y328 HydrophobicContact CB-CD2 4.26Å; F324-Y328 HydrophobicContact CB-CE2 4.31Å; F324-Y328 HydrophobicContact CD1-CE2 4.22Å; F324-Y328 WeakPolarHBondContact O-CD2 3.39Å; F324-Y328 PolarHBondContact O-N 2.87Å; V325-Y328 PolarHBondContact O-N 3.1Å; Y328-Y332 AromaticContact CD1-CD2 3.7Å; Y328-Y332 HydrophobicContact CD1-CD2 3.7Å; Y328-Y332 AromaticContact CD1-CE2 3.93Å; Y328-Y332 HydrophobicContact CD1-CE2 3.93Å; Y328-Y332 HydrophobicContact CE1-CD2 4.21Å; Y328-Y332 AromaticContact CE1-CE2 3.98Å; Y328-Y332 HydrophobicContact CE1-CE2 3.98Å; Y328-Y332 PolarHBondContact O-N 3.43Å; Y328-Y332 VanDerWaalsContact O-N 3.14Å; Y328-N333 PolarHBondContact O-N 2.92Å; Y328-I334 CarbonylContact C-O 3.43Å; Y328-I334 PolarHBondContact O-N 3.28Å; Y328-I336 HydrophobicContact CD2-CD1 4.03Å; Y328-I364 HydrophobicContact CD2-CD1 4.46Å; Y328-I364 HydrophobicContact CD2-CG1 3.85Å; Y328-I364 HydrophobicContact CE2-CD1 4Å; Y328-I364 HydrophobicContact CE2-CG1 3.46Å; Y328-I364 VanDerWaalsContact CE2-CG1 3.46Å; Y328-L367 HydrophobicContact CD1-CD1 3.8Å; Y328-L367 HydrophobicContact CD2-CD1 4.28Å; Y328-L367 HydrophobicContact CE1-CD1 4.18Å; Y328-L367 HydrophobicContact CG-CD1 3.9Å
329	L	94.6	Very high	93	Very high	66 Å²	66	80 Å²	80	35%	0.346	39%	0.385	S	S	.	.	H	α-helix	trans	-68.5	-54.2	173.5	-175	59.4	0	0	0	111.7	V325 E326 K331 N333 I334 R335	V325-L329 VanDerWaalsContact O-CB 3.31Å; V325-L329 WeakPolarHBondContact O-CB 3.47Å; V325-L329 PolarHBondContact O-N 3.33Å; E326-L329 PolarHBondContact O-N 3.44Å; L329-K331 VanDerWaalsContact C-N 3.34Å; L329-K331 PolarHBondContact O-N 2.86Å; L329-N333 WeakPolarHBondContact O-CA 3.4Å; L329-N333 PolarHBondContact O-N 3.03Å; L329-I334 WeakPolarHBondContact CA-O 3.41Å; L329-I334 PolarHBondContact N-O 2.82Å; L329-R335 HydrophobicContact CD1-CG 3.93Å
330	T	92.6	Very high	93.6	Very high	115 Å²	115	82.8 Å²	82.8	71%	0.706	38%	0.384	S	S	*	.	H	α-helix	trans	-65	-35.1	-176	-53.4	0	0	0	0	112.7	E326	E326-T330 WeakPolarHBondContact O-CB 3.34Å; E326-T330 PolarHBondContact O-N 3.02Å; E326-T330 PolarHBondContact O-OG1 3.32Å
331	K	91.9	Very high	93.9	Very high	116 Å²	116	73.3 Å²	73.3	50%	0.504	35%	0.348	S	S	.	.	H	α-helix	trans	-95.9	-29.7	-171.7	-169.7	175.5	174.7	-176.6	0	114.8	Y327 L329	Y327-K331 HydrophobicContact CD2-CD 4.22Å; Y327-K331 HydrophobicContact CE2-CD 3.41Å; Y327-K331 VanDerWaalsContact CE2-CD 3.41Å; Y327-K331 WeakPolarHBondContact O-CB 3.36Å; Y327-K331 PolarHBondContact O-N 3.01Å; Y327-K331 PolarHBondContact OH-NZ 3.07Å; L329-K331 VanDerWaalsContact C-N 3.34Å; L329-K331 PolarHBondContact O-N 2.86Å
332	Y	92.6	Very high	94.1	Very high	60 Å²	60	68.8 Å²	68.8	24%	0.235	33%	0.325	C	S	.	.	H	α-helix	trans	-129.9	1.3	-175.2	-50.9	-78.4	0	0	0	113.3	Y295 N296 Y327 Y328 I334	Y295-Y332 AromaticContact CD2-CD1 3.82Å; Y295-Y332 HydrophobicContact CD2-CD1 3.82Å; Y295-Y332 AromaticContact CD2-CD2 3.92Å; Y295-Y332 HydrophobicContact CD2-CD2 3.92Å; Y295-Y332 AromaticContact CD2-CE1 3.63Å; Y295-Y332 HydrophobicContact CD2-CE1 3.63Å; Y295-Y332 AromaticContact CD2-CE2 3.7Å; Y295-Y332 HydrophobicContact CD2-CE2 3.7Å; Y295-Y332 AromaticContact CD2-CG 3.96Å; Y295-Y332 HydrophobicContact CD2-CG 3.96Å; Y295-Y332 AromaticContact CD2-CZ 3.54Å; Y295-Y332 HydrophobicContact CE2-CD2 4.36Å; Y295-Y332 HydrophobicContact CE2-CE1 4.23Å; Y295-Y332 AromaticContact CE2-CE2 3.77Å; Y295-Y332 HydrophobicContact CE2-CE2 3.77Å; Y295-Y332 AromaticContact CE2-CZ 3.69Å; Y295-Y332 HydrophobicContact CG-CD1 4.43Å; Y295-Y332 HydrophobicContact CG-CD2 4.46Å; Y295-Y332 HydrophobicContact CG-CG 4.34Å; N296-Y332 HydrophobicContact CB-CE1 4.47Å; Y327-Y332 HydrophobicContact CE1-CE2 4.08Å; Y328-Y332 AromaticContact CD1-CD2 3.7Å; Y328-Y332 HydrophobicContact CD1-CD2 3.7Å; Y328-Y332 AromaticContact CD1-CE2 3.93Å; Y328-Y332 HydrophobicContact CD1-CE2 3.93Å; Y328-Y332 HydrophobicContact CE1-CD2 4.21Å; Y328-Y332 AromaticContact CE1-CE2 3.98Å; Y328-Y332 HydrophobicContact CE1-CE2 3.98Å; Y328-Y332 PolarHBondContact O-N 3.43Å; Y328-Y332 VanDerWaalsContact O-N 3.14Å; Y332-I334 VanDerWaalsContact C-N 3.28Å; Y332-I334 PolarHBondContact O-N 3.1Å
333	N	94.9	Very high	94.1	Very high	136 Å²	136	67 Å²	67	73%	0.727	32%	0.316	S	S	*	.			trans	56	37.7	-173.8	-160.4	19.4	0	0	0	113.9	Y328 L329	Y328-N333 PolarHBondContact O-N 2.92Å; L329-N333 WeakPolarHBondContact O-CA 3.4Å; L329-N333 PolarHBondContact O-N 3.03Å
334	I	94.5	Very high	94.1	Very high	46 Å²	46	66.6 Å²	66.6	24%	0.236	31%	0.313	C	S	.	.			trans	-110.4	125.4	-178.5	-69.4	171.1	0	0	0	110.3	Y295 Y328 L329 Y332 L367	Y295-I334 VanDerWaalsContact CB-CD1 3.43Å; Y295-I334 HydrophobicContact CD1-CD1 4.35Å; Y295-I334 HydrophobicContact CG-CD1 4.2Å; Y328-I334 CarbonylContact C-O 3.43Å; Y328-I334 PolarHBondContact O-N 3.28Å; L329-I334 WeakPolarHBondContact CA-O 3.41Å; L329-I334 PolarHBondContact N-O 2.82Å; Y332-I334 VanDerWaalsContact C-N 3.28Å; Y332-I334 PolarHBondContact O-N 3.1Å; I334-L367 HydrophobicContact CG2-CD1 3.96Å; I334-L367 HydrophobicContact CG2-CD2 3.65Å; I334-L367 HydrophobicContact CG2-CG 4.49Å
335	R	95.1	Very high	94	Very high	201 Å²	201	67.1 Å²	67.1	76%	0.758	32%	0.316	S	S	*	.			trans	-90.8	126.3	170.2	-62.3	-178.5	-176.6	-159.3	0.1	109.4	L329	L329-R335 HydrophobicContact CD1-CG 3.93Å
336	I	95.5	Very high	93.8	Very high	9 Å²	9	65.9 Å²	65.9	5%	0.046	31%	0.309	C	S	.	.			trans	-77.4	138.2	169.2	-59.2	174.3	0	0	0	107.6	P311 V325 Y328 D338 I364 E366 L367	P311-I336 HydrophobicContact CB-CD1 3.9Å; P311-I336 HydrophobicContact CB-CG2 4.14Å; P311-I336 HydrophobicContact CG-CD1 4.41Å; P311-I336 HydrophobicContact CG-CG2 3.99Å; V325-I336 HydrophobicContact CG2-CD1 4.16Å; Y328-I336 HydrophobicContact CD2-CD1 4.03Å; I336-D338 WeakPolarHBondContact CG2-O 3.43Å; I336-I364 HydrophobicContact CD1-CD1 4.11Å; I336-I364 HydrophobicContact CD1-CG1 3.84Å; I336-I364 HydrophobicContact CD1-CG2 4.23Å; I336-I364 HydrophobicContact CG1-CG2 4.48Å; I336-I364 HydrophobicContact CG2-CG2 4.2Å; I336-E366 WeakPolarHBondContact CG2-OE2 3.3Å; I336-L367 HydrophobicContact CG1-CD1 4.45Å
337	R	94.1	Very high	93.2	Very high	200 Å²	200	65.4 Å²	65.4	76%	0.755	31%	0.305	S	S	*	.	S	Bend	trans	-95.2	-41.3	-178.6	-72.4	169.7	-68.5	160.2	7.3	112.7	E366	R337-E366 WeakPolarHBondContact CB-OE1 3.21Å; R337-E366 IonicContact CZ-OE1 2.7Å; R337-E366 PolarHBondContact N-OE1 3.05Å; R337-E366 PolarHBondContact N-OE2 3.5Å; R337-E366 IonicContact NE-OE1 2.67Å; R337-E366 PolarHBondContact NE-OE1 3.35Å; R337-E366 IonicContact NH2-OE1 2.76Å; R337-E366 PolarHBondContact NH2-OE1 2.77Å
338	D	93.4	Very high	91.7	Very high	39 Å²	39	66.5 Å²	66.5	21%	0.209	31%	0.314	C	S	.	.			trans	-99.3	112.8	178.6	-167.8	-31.4	0	0	0	110.5	Y265 I336 N340 Q341 E366	Y265-D338 HydrophobicContact CE2-CB 3.68Å; Y265-D338 WeakPolarHBondContact CE2-OD2 3.45Å; Y265-D338 VanDerWaalsContact CZ-OD2 3.27Å; Y265-D338 PolarHBondContact OH-OD2 3.45Å; I336-D338 WeakPolarHBondContact CG2-O 3.43Å; D338-N340 WeakPolarHBondContact OD1-CA 3.38Å; D338-N340 PolarHBondContact OD1-N 2.88Å; D338-Q341 HydrophobicContact CB-CB 4.34Å; D338-Q341 WeakPolarHBondContact O-CG 3.34Å; D338-Q341 PolarHBondContact O-NE2 3Å; D338-Q341 PolarHBondContact OD1-N 2.83Å; D338-Q341 VanDerWaalsContact OD1-N 3.13Å; D338-E366 PolarHBondContact N-OE2 3.25Å
339	H	94.4	Very high	89.8	Confident	70 Å²	70	75.2 Å²	75.2	32%	0.324	35%	0.346	S	S	.	.	S	Bend	trans	-86.1	-4.3	178.8	-66.3	132.5	0	0	0	114.6	T310 K312	T310-H339 WeakPolarHBondContact CB-O 3.48Å; K312-H339 HydrophobicContact CD-CB 4.39Å; K312-H339 HydrophobicContact CG-CB 4.37Å
340	N	92.1	Very high	87.5	Confident	128 Å²	128	78.2 Å²	78.2	68%	0.684	36%	0.363	S	S	*	.	S	Bend	trans	-109	-4.4	-178.4	-60.6	-13.6	0	0	0	112.2	D338	D338-N340 WeakPolarHBondContact OD1-CA 3.38Å; D338-N340 PolarHBondContact OD1-N 2.88Å
341	Q	93.3	Very high	85.1	Confident	5 Å²	5	76.5 Å²	76.5	2%	0.023	35%	0.346	C	S	.	.			trans	-60.4	141	174.6	73.9	-171.6	-75.3	0	0	111.3	Y265 P311 D338 I364 P365 E366	Y265-Q341 HydrophobicContact CD2-CB 4.01Å; Y265-Q341 HydrophobicContact CE2-CB 3.98Å; P311-Q341 WeakPolarHBondContact CD-O 3.24Å; P311-Q341 HydrophobicContact CG-CG 3.78Å; D338-Q341 HydrophobicContact CB-CB 4.34Å; D338-Q341 WeakPolarHBondContact O-CG 3.34Å; D338-Q341 PolarHBondContact O-NE2 3Å; D338-Q341 PolarHBondContact OD1-N 2.83Å; D338-Q341 VanDerWaalsContact OD1-N 3.13Å; Q341-I364 HydrophobicContact CG-CG2 4.37Å; Q341-P365 HydrophobicContact CG-CG 4.49Å; Q341-P365 VanDerWaalsContact OE1-CD 3.26Å; Q341-E366 PolarHBondContact NE2-OE2 2.98Å; Q341-E366 VanDerWaalsContact OE1-CB 3.3Å
342	P	94.3	Very high	82.8	Confident	21 Å²	21	72.7 Å²	72.7	14%	0.136	34%	0.336	C	S	.	.			trans	-71.8	172.1	175.7	32	-36.7	0	0	0	111.3	M268 V305 D306 F307 P365	M268-P342 HydrophobicContact CE-CG 3.2Å; M268-P342 HydrophobicContact SD-CG 4.32Å; V305-P342 HydrophobicContact CG1-CB 4.26Å; V305-P342 HydrophobicContact CG1-CG 4.27Å; D306-P342 WeakPolarHBondContact O-CA 3.45Å; D306-P342 WeakPolarHBondContact O-CB 3.2Å; F307-P342 HydrophobicContact CB-CB 4.46Å; F307-P342 HydrophobicContact CD1-CB 3.86Å; F307-P342 HydrophobicContact CD1-CG 3.99Å; F307-P342 HydrophobicContact CE1-CB 4.42Å; F307-P342 HydrophobicContact CE1-CG 4.13Å; F307-P342 HydrophobicContact CG-CB 4.18Å; P342-P365 WeakPolarHBondContact O-CD 3.46Å; P342-P365 WeakPolarHBondContact O-CG 3.46Å
343	L	94.8	Very high	80.4	Confident	0 Å²	0	78.3 Å²	78.3	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	146	-176.8	-57.1	-172.4	0	0	0	113	D306 Q309 P311 F324 V362 I364	D306-L343 PolarHBondContact N-O 2.84Å; D306-L343 PolarHBondContact O-N 2.84Å; Q309-L343 HydrophobicContact CB-CD1 3.57Å; Q309-L343 HydrophobicContact CB-CG 4.02Å; P311-L343 HydrophobicContact CG-CD2 4.44Å; F324-L343 HydrophobicContact CD2-CD1 3.84Å; F324-L343 HydrophobicContact CE2-CD1 3.39Å; F324-L343 HydrophobicContact CZ-CD1 3.99Å; L343-V362 HydrophobicContact CB-CG1 3.62Å; L343-V362 HydrophobicContact CD1-CG1 3.51Å; L343-V362 HydrophobicContact CG-CG1 4.13Å; L343-I364 HydrophobicContact CD2-CD1 3.65Å
344	L	94.3	Very high	77.9	Confident	0 Å²	0	78.9 Å²	78.9	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	128.6	178.7	-52.4	176.4	0	0	0	110.2	I264 V286 I302 V305 V362 L363 P365 C368	I264-L344 HydrophobicContact CB-CD1 4.08Å; I264-L344 HydrophobicContact CG1-CD1 3.98Å; I264-L344 HydrophobicContact CG2-CD1 3.96Å; I264-L344 HydrophobicContact CG2-CD2 3.97Å; V286-L344 HydrophobicContact CG1-CD2 4.09Å; I302-L344 HydrophobicContact CD1-CD1 3.84Å; I302-L344 HydrophobicContact CD1-CD2 4.31Å; I302-L344 HydrophobicContact CG1-CD1 4.44Å; I302-L344 HydrophobicContact CG2-CB 4.37Å; I302-L344 HydrophobicContact CG2-CD2 4.41Å; V305-L344 HydrophobicContact CG1-CD2 4.31Å; V305-L344 HydrophobicContact CG2-CD2 3.95Å; L344-V362 WeakPolarHBondContact O-CA 3.4Å; L344-L363 HydrophobicContact CB-CB 4.24Å; L344-L363 PolarHBondContact N-O 3.47Å; L344-L363 PolarHBondContact O-N 3Å; L344-P365 HydrophobicContact CD1-CB 4.43Å; L344-P365 HydrophobicContact CD1-CG 4.33Å; L344-P365 HydrophobicContact CD2-CG 4.1Å; L344-P365 HydrophobicContact CG-CG 3.93Å; L344-C368 HydrophobicContact CD1-CB 4.05Å
345	I	92.4	Very high	75.5	Confident	18 Å²	18	80.6 Å²	80.6	9%	0.092	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	123.6	179.1	-65.1	-179.7	0	0	0	110.4	N303 D304 D306 K347 L360	N303-I345 PolarHBondContact N-O 3.36Å; D304-I345 HydrophobicContact CB-CB 3.96Å; D304-I345 HydrophobicContact CB-CD1 4.42Å; D304-I345 HydrophobicContact CB-CG2 4.41Å; D304-I345 PolarHBondContact N-O 3.39Å; D304-I345 VanDerWaalsContact N-O 3.16Å; D304-I345 PolarHBondContact O-N 2.93Å; D306-I345 HydrophobicContact CB-CD1 3.9Å; D306-I345 HydrophobicContact CB-CG1 4.33Å; I345-K347 HydrophobicContact CG2-CD 4.37Å; I345-K347 HydrophobicContact CG2-CG 3.96Å; I345-L360 HydrophobicContact CG2-CD1 4.02Å; I345-L360 HydrophobicContact CG2-CD2 4.19Å; I345-L360 HydrophobicContact CG2-CG 3.95Å
346	S	90.3	Very high	73	Confident	9 Å²	9	78.7 Å²	78.7	6%	0.063	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	115.4	172.8	158.7	0	0	0	0	109.9	R301 V361	R301-S346 WeakPolarHBondContact O-CB 3.36Å; S346-V361 PolarHBondContact N-O 3.42Å; S346-V361 PolarHBondContact O-N 2.93Å
347	K	83.6	Confident	70.6	Confident	90 Å²	90	81.1 Å²	81.1	39%	0.391	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	109.3	-179.7	-67.3	172.8	-178.5	167.5	0	109.6	N303 I345 R349 L360	N303-K347 PolarHBondContact OD1-N 2.93Å; N303-K347 PolarHBondContact OD1-O 3.26Å; I345-K347 HydrophobicContact CG2-CD 4.37Å; I345-K347 HydrophobicContact CG2-CG 3.96Å; K347-R349 PolarHBondContact O-N 2.97Å; K347-L360 HydrophobicContact CG-CD1 4.32Å; K347-L360 HydrophobicContact CG-CG 4.4Å
348	N	63	Low	68.4	Low	61 Å²	61	75.3 Å²	75.3	33%	0.326	39%	0.389	S	S	.	.			trans	-75.8	84.6	-177.1	-170.2	-16.9	0	0	0	112.1	D350 K351 A352	N348-D350 VanDerWaalsContact C-N 3.31Å; N348-D350 PolarHBondContact O-N 3.3Å; N348-D350 PolarHBondContact OD1-N 3.09Å; N348-K351 HydrophobicContact CB-CB 4.32Å; N348-K351 PolarHBondContact O-N 3.48Å; N348-K351 PolarHBondContact OD1-N 3.29Å; N348-A352 PolarHBondContact O-N 3.45Å
349	R	53.8	Low	67	Low	189 Å²	189	77.6 Å²	77.6	71%	0.713	40%	0.399	S	S	*	.	H	α-helix	trans	-54.2	-42.6	-179	-74.9	-172.8	168.8	-156.3	-4.6	113.5	K347 K351 A352 Q353	K347-R349 PolarHBondContact O-N 2.97Å; R349-K351 PolarHBondContact O-N 3.41Å; R349-A352 PolarHBondContact O-N 3.17Å; R349-A352 VanDerWaalsContact O-N 3.13Å; R349-Q353 PolarHBondContact O-N 3.4Å
350	D	45.7	Very low	66.3	Low	129 Å²	129	78.1 Å²	78.1	69%	0.69	40%	0.403	S	S	*	.	H	α-helix	trans	-69.1	-23.6	-174.6	-54.3	-11.8	0	0	0	112.5	N348	N348-D350 VanDerWaalsContact C-N 3.31Å; N348-D350 PolarHBondContact O-N 3.3Å; N348-D350 PolarHBondContact OD1-N 3.09Å
351	K	44	Very low	66.1	Low	80 Å²	80	73.9 Å²	73.9	35%	0.348	38%	0.382	S	S	.	.	H	α-helix	trans	-86.3	-40.5	166.9	-87.7	-167.3	171.7	-170.6	0	113.1	N348 R349 Q353 K354 T355 E359	N348-K351 HydrophobicContact CB-CB 4.32Å; N348-K351 PolarHBondContact O-N 3.48Å; N348-K351 PolarHBondContact OD1-N 3.29Å; R349-K351 PolarHBondContact O-N 3.41Å; K351-Q353 PolarHBondContact O-N 3.15Å; K351-K354 WeakPolarHBondContact O-CA 3.46Å; K351-K354 PolarHBondContact O-N 3.18Å; K351-T355 PolarHBondContact O-N 3.1Å; K351-T355 PolarHBondContact O-OG1 2.88Å; K351-E359 WeakPolarHBondContact CD-OE2 3.47Å; K351-E359 WeakPolarHBondContact CE-OE2 3.45Å; K351-E359 IonicContact NZ-OE1 3.58Å; K351-E359 PolarHBondContact NZ-OE1 3.47Å; K351-E359 IonicContact NZ-OE2 2.67Å; K351-E359 PolarHBondContact NZ-OE2 3.02Å
352	A	41.9	Very low	66.1	Low	35 Å²	35	74.9 Å²	74.9	29%	0.289	39%	0.388	S	S	.	.	H	α-helix	trans	-56.3	-38.1	-174.7	0	0	0	0	0	112.3	N348 R349 K354	N348-A352 PolarHBondContact O-N 3.45Å; R349-A352 PolarHBondContact O-N 3.17Å; R349-A352 VanDerWaalsContact O-N 3.13Å; A352-K354 PolarHBondContact O-N 3.27Å
353	Q	43	Very low	66.1	Low	178 Å²	178	74 Å²	74	83%	0.832	38%	0.382	S	S	*	.	H	α-helix	trans	-69.4	-11.3	173.4	-73.3	-173.9	-50.1	0	0	115.2	R349 K351	R349-Q353 PolarHBondContact O-N 3.4Å; K351-Q353 PolarHBondContact O-N 3.15Å
354	K	41.9	Very low	66.2	Low	149 Å²	149	74 Å²	74	65%	0.648	38%	0.382	S	S	*	.	H	α-helix	trans	-110.8	-16.5	-174.4	-66.6	-171.4	178.2	-173.6	0	114.6	K351 A352	K351-K354 WeakPolarHBondContact O-CA 3.46Å; K351-K354 PolarHBondContact O-N 3.18Å; A352-K354 PolarHBondContact O-N 3.27Å
355	T	43.9	Very low	66.2	Low	82 Å²	82	74 Å²	74	50%	0.503	38%	0.382	S	S	.	.	H	α-helix	trans	-133.3	-0.1	-171.6	50	0	0	0	0	116.3	K351 A357	K351-T355 PolarHBondContact O-N 3.1Å; K351-T355 PolarHBondContact O-OG1 2.88Å; T355-A357 PolarHBondContact O-N 3.25Å
356	N	42.2	Very low	66.3	Low	161 Å²	161	73.7 Å²	73.7	86%	0.861	38%	0.381	S	S	*	.	S	Bend	trans	57.3	-29.1	-170.5	-74.9	0.1	0	0	0	116.2	S358	N356-S358 PolarHBondContact O-N 2.85Å
357	A	45.3	Very low	66.5	Low	60 Å²	60	74.5 Å²	74.5	50%	0.496	38%	0.384	S	S	.	.	S	Bend	trans	-68.6	113	165.6	0	0	0	0	0	110.3	T355 E359	T355-A357 PolarHBondContact O-N 3.25Å; A357-E359 PolarHBondContact O-N 3.43Å
358	S	48.8	Very low	67	Low	77 Å²	77	70.2 Å²	70.2	54%	0.538	37%	0.365	S	S	.	.			trans	-71.7	91.3	163.5	169.5	0	0	0	0	109.1	N356 L360	N356-S358 PolarHBondContact O-N 2.85Å; S358-L360 PolarHBondContact O-N 2.95Å
359	E	64.1	Low	68.3	Low	88 Å²	88	68.4 Å²	68.4	41%	0.411	35%	0.354	S	S	.	.			trans	-61.1	86.3	165.1	-79.3	-174.1	-178.3	0	0	109.6	K351 A357	K351-E359 WeakPolarHBondContact CD-OE2 3.47Å; K351-E359 WeakPolarHBondContact CE-OE2 3.45Å; K351-E359 IonicContact NZ-OE1 3.58Å; K351-E359 PolarHBondContact NZ-OE1 3.47Å; K351-E359 IonicContact NZ-OE2 2.67Å; K351-E359 PolarHBondContact NZ-OE2 3.02Å; A357-E359 PolarHBondContact O-N 3.43Å
360	L	78.6	Confident	69.9	Low	81 Å²	81	59.4 Å²	59.4	42%	0.424	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	116.8	170.9	-173.3	149.5	0	0	0	107.7	I345 K347 S358 V362	I345-L360 HydrophobicContact CG2-CD1 4.02Å; I345-L360 HydrophobicContact CG2-CD2 4.19Å; I345-L360 HydrophobicContact CG2-CG 3.95Å; K347-L360 HydrophobicContact CG-CD1 4.32Å; K347-L360 HydrophobicContact CG-CG 4.4Å; S358-L360 PolarHBondContact O-N 2.95Å; L360-V362 HydrophobicContact CD2-CG2 3.51Å
361	V	88.6	Confident	71.9	Confident	38 Å²	38	54.2 Å²	54.2	23%	0.23	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	124.8	-180	-174.1	0	0	0	0	108.8	Y300 S346 L363	Y300-V361 HydrophobicContact CD1-CB 4.47Å; Y300-V361 HydrophobicContact CD1-CG1 4.24Å; Y300-V361 HydrophobicContact CE1-CB 4.25Å; Y300-V361 HydrophobicContact CE1-CG1 3.78Å; Y300-V361 HydrophobicContact CE1-CG2 4.18Å; S346-V361 PolarHBondContact N-O 3.42Å; S346-V361 PolarHBondContact O-N 2.93Å; V361-L363 HydrophobicContact CG1-CD2 3.69Å; V361-L363 HydrophobicContact CG1-CG 4.12Å
362	V	92.8	Very high	73.7	Confident	27 Å²	27	51.6 Å²	51.6	16%	0.164	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	131.2	176.5	-170	0	0	0	0	109.1	F324 L343 L344 L360	F324-V362 HydrophobicContact CE1-CB 3.92Å; F324-V362 HydrophobicContact CE1-CG1 4.05Å; F324-V362 HydrophobicContact CE2-CG1 4.35Å; F324-V362 HydrophobicContact CZ-CB 3.81Å; F324-V362 HydrophobicContact CZ-CG1 3.67Å; F324-V362 HydrophobicContact CZ-CG2 4.38Å; L343-V362 HydrophobicContact CB-CG1 3.62Å; L343-V362 HydrophobicContact CD1-CG1 3.51Å; L343-V362 HydrophobicContact CG-CG1 4.13Å; L344-V362 WeakPolarHBondContact O-CA 3.4Å; L360-V362 HydrophobicContact CD2-CG2 3.51Å
363	L	95	Very high	75.6	Confident	2 Å²	2	51 Å²	51	1%	0.01	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	153	-173.4	-53.1	169.7	0	0	0	111.5	V291 T293 Y300 L344 V361	V291-L363 HydrophobicContact CG2-CD1 4.42Å; T293-L363 HydrophobicContact CG2-CD2 4.28Å; Y300-L363 HydrophobicContact CD1-CD1 4.27Å; Y300-L363 HydrophobicContact CD2-CD1 3.69Å; Y300-L363 HydrophobicContact CD2-CD2 4.25Å; Y300-L363 HydrophobicContact CE2-CD1 4.41Å; Y300-L363 HydrophobicContact CE2-CD2 4.15Å; Y300-L363 HydrophobicContact CG-CD1 3.6Å; L344-L363 HydrophobicContact CB-CB 4.24Å; L344-L363 PolarHBondContact N-O 3.47Å; L344-L363 PolarHBondContact O-N 3Å; V361-L363 HydrophobicContact CG1-CD2 3.69Å; V361-L363 HydrophobicContact CG1-CG 4.12Å
364	I	96.3	Very high	77.2	Confident	0 Å²	0	45 Å²	45	0%	0	25%	0.254	C	S	.	.			trans	-91.2	124.6	179.7	-47.9	-53.6	0	0	0	109.3	P311 F324 Y328 I336 Q341 L343 E366 L367 C368	P311-I364 HydrophobicContact CG-CD1 4.34Å; F324-I364 HydrophobicContact CB-CD1 3.96Å; F324-I364 HydrophobicContact CD1-CD1 4.48Å; F324-I364 HydrophobicContact CG-CD1 4.2Å; Y328-I364 HydrophobicContact CD2-CD1 4.46Å; Y328-I364 HydrophobicContact CD2-CG1 3.85Å; Y328-I364 HydrophobicContact CE2-CD1 4Å; Y328-I364 HydrophobicContact CE2-CG1 3.46Å; Y328-I364 VanDerWaalsContact CE2-CG1 3.46Å; I336-I364 HydrophobicContact CD1-CD1 4.11Å; I336-I364 HydrophobicContact CD1-CG1 3.84Å; I336-I364 HydrophobicContact CD1-CG2 4.23Å; I336-I364 HydrophobicContact CG1-CG2 4.48Å; I336-I364 HydrophobicContact CG2-CG2 4.2Å; Q341-I364 HydrophobicContact CG-CG2 4.37Å; L343-I364 HydrophobicContact CD2-CD1 3.65Å; I364-E366 HydrophobicContact CG2-CB 4.07Å; I364-E366 PolarHBondContact O-N 3.21Å; I364-L367 HydrophobicContact CB-CB 4.27Å; I364-L367 HydrophobicContact CB-CD1 4.15Å; I364-L367 HydrophobicContact CB-CG 4.01Å; I364-L367 HydrophobicContact CG1-CD1 4.2Å; I364-L367 HydrophobicContact CG2-CG 4.24Å; I364-L367 PolarHBondContact O-N 3.28Å; I364-C368 PolarHBondContact O-N 3.04Å; I364-C368 PolarHBondContact O-SG 3.33Å
365	P	94.9	Very high	78.5	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-50.6	-40.5	177.6	-28.3	31.8	0	0	0	114.7	I264 Y265 M268 Q341 P342 L344 L367 C368	I264-P365 HydrophobicContact CB-CB 4.16Å; I264-P365 HydrophobicContact CG2-CB 4.06Å; I264-P365 PolarHBondContact N-O 3.45Å; Y265-P365 PolarHBondContact N-O 2.91Å; M268-P365 HydrophobicContact SD-CB 4.27Å; M268-P365 HydrophobicContact SD-CG 4.22Å; Q341-P365 HydrophobicContact CG-CG 4.49Å; Q341-P365 VanDerWaalsContact OE1-CD 3.26Å; P342-P365 WeakPolarHBondContact O-CD 3.46Å; P342-P365 WeakPolarHBondContact O-CG 3.46Å; L344-P365 HydrophobicContact CD1-CB 4.43Å; L344-P365 HydrophobicContact CD1-CG 4.33Å; L344-P365 HydrophobicContact CD2-CG 4.1Å; L344-P365 HydrophobicContact CG-CG 3.93Å; P365-L367 PolarHBondContact O-N 3.08Å; P365-C368 PolarHBondContact O-N 2.86Å
366	E	94.9	Very high	79.9	Confident	12 Å²	12	44.2 Å²	44.2	6%	0.056	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-62.6	-29	178.7	-172.7	-174.7	162.6	0	0	113.2	I336 R337 D338 Q341 I364	I336-E366 WeakPolarHBondContact CG2-OE2 3.3Å; R337-E366 WeakPolarHBondContact CB-OE1 3.21Å; R337-E366 IonicContact CZ-OE1 2.7Å; R337-E366 PolarHBondContact N-OE1 3.05Å; R337-E366 PolarHBondContact N-OE2 3.5Å; R337-E366 IonicContact NE-OE1 2.67Å; R337-E366 PolarHBondContact NE-OE1 3.35Å; R337-E366 IonicContact NH2-OE1 2.76Å; R337-E366 PolarHBondContact NH2-OE1 2.77Å; D338-E366 PolarHBondContact N-OE2 3.25Å; Q341-E366 PolarHBondContact NE2-OE2 2.98Å; Q341-E366 VanDerWaalsContact OE1-CB 3.3Å; I364-E366 HydrophobicContact CG2-CB 4.07Å; I364-E366 PolarHBondContact O-N 3.21Å
367	L	94.3	Very high	81.7	Confident	25 Å²	25	38 Å²	38	13%	0.131	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-99.4	10.1	-177.7	-51.9	-176	0	0	0	112.8	Y295 Y328 I334 I336 I364 P365	Y295-L367 HydrophobicContact CD1-CB 4.17Å; Y295-L367 HydrophobicContact CD1-CD1 4.38Å; Y295-L367 HydrophobicContact CE1-CB 3.91Å; Y295-L367 HydrophobicContact CE1-CD1 4.25Å; Y328-L367 HydrophobicContact CD1-CD1 3.8Å; Y328-L367 HydrophobicContact CD2-CD1 4.28Å; Y328-L367 HydrophobicContact CE1-CD1 4.18Å; Y328-L367 HydrophobicContact CG-CD1 3.9Å; I334-L367 HydrophobicContact CG2-CD1 3.96Å; I334-L367 HydrophobicContact CG2-CD2 3.65Å; I334-L367 HydrophobicContact CG2-CG 4.49Å; I336-L367 HydrophobicContact CG1-CD1 4.45Å; I364-L367 HydrophobicContact CB-CB 4.27Å; I364-L367 HydrophobicContact CB-CD1 4.15Å; I364-L367 HydrophobicContact CB-CG 4.01Å; I364-L367 HydrophobicContact CG1-CD1 4.2Å; I364-L367 HydrophobicContact CG2-CG 4.24Å; I364-L367 PolarHBondContact O-N 3.28Å; P365-L367 PolarHBondContact O-N 3.08Å
368	C	93.1	Very high	83.2	Confident	0 Å²	0	43 Å²	43	0%	0	23%	0.233	C	C	.	.			trans	-120.3	111.8	-175.2	-69.1	0	0	0	0	111.3	T263 I264 V291 L292 L344 I364 P365	T263-C368 CarbonylContact C-O 3.52Å; T263-C368 VanDerWaalsContact CA-O 3.28Å; T263-C368 WeakPolarHBondContact CA-O 3.41Å; I264-C368 HydrophobicContact CG1-CB 4.06Å; I264-C368 PolarHBondContact N-O 2.67Å; V291-C368 HydrophobicContact CB-CB 3.98Å; V291-C368 HydrophobicContact CG1-CB 4.08Å; V291-C368 HydrophobicContact CG2-CB 4.12Å; L292-C368 WeakPolarHBondContact O-CA 3.36Å; L344-C368 HydrophobicContact CD1-CB 4.05Å; I364-C368 PolarHBondContact O-N 3.04Å; I364-C368 PolarHBondContact O-SG 3.33Å; P365-C368 PolarHBondContact O-N 2.86Å
369	R	90.6	Very high	84.5	Confident	24 Å²	24	43.1 Å²	43.1	9%	0.091	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	140.5	176.6	-72.7	172.6	61.9	-178.8	1.9	111.9	E232 M259 R260 T263 V291 L292 D294	E232-R369 IonicContact OE1-CZ 3.47Å; E232-R369 IonicContact OE1-NH1 2.7Å; E232-R369 IonicContact OE1-NH2 3.78Å; E232-R369 PolarHBondContact OE1-NH2 2.91Å; E232-R369 IonicContact OE2-CZ 2.79Å; E232-R369 IonicContact OE2-NH1 3.69Å; E232-R369 PolarHBondContact OE2-NH1 3.15Å; E232-R369 IonicContact OE2-NH2 3.21Å; E232-R369 PolarHBondContact OE2-NH2 3.3Å; M259-R369 HydrophobicContact CE-CB 4.18Å; R260-R369 PolarHBondContact O-NE 3.42Å; R260-R369 PolarHBondContact O-NH2 3.16Å; T263-R369 HydrophobicContact CG2-CG 4.19Å; V291-R369 CarbonylContact C-O 3.57Å; V291-R369 WeakPolarHBondContact CA-O 3.23Å; L292-R369 PolarHBondContact N-O 2.83Å; L292-R369 PolarHBondContact O-N 3.15Å; D294-R369 WeakPolarHBondContact OD1-CD 3.3Å; D294-R369 WeakPolarHBondContact OD2-CD 3.38Å; D294-R369 IonicContact OD2-CZ 2.95Å; D294-R369 IonicContact OD2-NE 2.9Å; D294-R369 IonicContact OD2-NH1 3.88Å; D294-R369 PolarHBondContact OD2-NH1 3.14Å
370	V	88.9	Confident	85.3	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	133.2	-176.7	-178.1	0	0	0	0	111.6	R260 E262 I264 I267 L289 V291	R260-V370 HydrophobicContact CB-CB 4.48Å; R260-V370 WeakPolarHBondContact CB-O 3.34Å; R260-V370 HydrophobicContact CG-CB 4.36Å; R260-V370 WeakPolarHBondContact CG-O 3.46Å; R260-V370 VanDerWaalsContact CZ-CG1 3.44Å; R260-V370 PolarHBondContact N-O 2.89Å; E262-V370 PolarHBondContact O-N 2.86Å; I264-V370 HydrophobicContact CD1-CG2 3.43Å; I264-V370 VanDerWaalsContact CD1-CG2 3.43Å; I264-V370 HydrophobicContact CG1-CG2 4.28Å; I267-V370 HydrophobicContact CD1-CG2 3.57Å; L289-V370 HydrophobicContact CD1-CG1 4.12Å; L289-V370 HydrophobicContact CD1-CG2 3.98Å; L289-V370 HydrophobicContact CD2-CG1 4.44Å; V291-V370 HydrophobicContact CG1-CG2 4.45Å
371	T	86	Confident	85.5	Confident	19 Å²	19	46.3 Å²	46.3	12%	0.117	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	144.3	172.4	76.9	0	0	0	0	111.4	M259 I290 L292 T299	M259-T371 HydrophobicContact CE-CG2 3.9Å; M259-T371 HydrophobicContact SD-CG2 3.68Å; I290-T371 WeakPolarHBondContact O-CB 3.34Å; I290-T371 WeakPolarHBondContact O-CG2 3.42Å; I290-T371 PolarHBondContact O-N 3.27Å; I290-T371 PolarHBondContact O-OG1 2.96Å; L292-T371 HydrophobicContact CB-CG2 4Å; T299-T371 HydrophobicContact CG2-CG2 4.26Å
372	G	82.6	Confident	85.3	Confident	26 Å²	26	51.3 Å²	51.3	27%	0.268	27%	0.266	S	S	.	.	S	Bend	trans	72.3	175	174.3	0	0	0	0	0	116.1	V258 R260	V258-G372 PolarHBondContact O-N 3.02Å; R260-G372 PolarHBondContact NE-O 3.39Å; R260-G372 PolarHBondContact NH2-O 3.49Å
373	L	81.1	Confident	85	Confident	21 Å²	21	50.1 Å²	50.1	11%	0.11	26%	0.259	C	S	.	.			trans	-97.3	137.8	-173.9	-57.1	179.9	0	0	0	112.1	M231 V258 M377 R378 L383 M384 M387	M231-L373 HydrophobicContact CE-CD2 4.19Å; M231-L373 HydrophobicContact SD-CD2 3.7Å; V258-L373 HydrophobicContact CG1-CD2 3.81Å; V258-L373 HydrophobicContact CG1-CG 4.21Å; L373-M377 HydrophobicContact CB-CB 4.07Å; L373-M377 HydrophobicContact CD2-CB 4.09Å; L373-M377 HydrophobicContact CD2-CE 3.67Å; L373-M377 HydrophobicContact CD2-SD 4.42Å; L373-R378 HydrophobicContact CB-CG 3.87Å; L373-R378 HydrophobicContact CD1-CG 4.19Å; L373-R378 PolarHBondContact O-NE 3.3Å; L373-R378 VanDerWaalsContact O-NE 3.07Å; L373-R378 PolarHBondContact O-NH2 3.47Å; L373-L383 HydrophobicContact CD2-CD2 4.46Å; L373-M384 HydrophobicContact CD1-SD 3.57Å; L373-M384 VanDerWaalsContact CD1-SD 3.57Å; L373-M387 HydrophobicContact CD1-CE 4.14Å; L373-M387 HydrophobicContact CD1-SD 4.03Å; L373-M387 HydrophobicContact CD2-CE 3.95Å; L373-M387 HydrophobicContact CG-CE 4.42Å
374	N	76.8	Confident	84.6	Confident	52 Å²	52	53.3 Å²	53.3	28%	0.278	28%	0.275	S	S	.	.			trans	-75	-170.2	167.2	82.3	-3.8	0	0	0	111	E376 M377 R378	N374-E376 PolarHBondContact ND2-OE2 3.49Å; N374-E376 PolarHBondContact OD1-N 3.23Å; N374-M377 HydrophobicContact CB-SD 4.07Å; N374-M377 PolarHBondContact N-SD 3.19Å; N374-M377 VanDerWaalsContact N-SD 3.38Å; N374-M377 WeakPolarHBondContact OD1-CB 3.46Å; N374-M377 WeakPolarHBondContact OD1-CG 3.45Å; N374-M377 PolarHBondContact OD1-N 3.39Å; N374-M377 PolarHBondContact OD1-SD 2.94Å; N374-M377 VanDerWaalsContact OD1-SD 3.38Å; N374-R378 WeakPolarHBondContact O-CD 3.15Å; N374-R378 WeakPolarHBondContact O-CG 3.15Å; N374-R378 PolarHBondContact O-NE 2.82Å
375	A	68.9	Low	84	Confident	79 Å²	79	62.7 Å²	62.7	65%	0.653	31%	0.31	S	S	*	.	H	α-helix	trans	-69.7	-46.6	178.9	0	0	0	0	0	112.8	M377 R378 S379	A375-M377 PolarHBondContact O-N 3.37Å; A375-R378 WeakPolarHBondContact O-CB 3.47Å; A375-R378 PolarHBondContact O-N 2.66Å; A375-S379 PolarHBondContact O-N 2.93Å; A375-S379 PolarHBondContact O-OG 3.15Å
376	E	73.9	Confident	83.6	Confident	137 Å²	137	63.9 Å²	63.9	64%	0.64	32%	0.32	S	S	*	.	H	α-helix	trans	-61.8	-43.4	-176.8	-56.1	157.7	150.2	0	0	111.6	N374 R378 S379 N380	N374-E376 PolarHBondContact ND2-OE2 3.49Å; N374-E376 PolarHBondContact OD1-N 3.23Å; E376-R378 PolarHBondContact O-N 2.79Å; E376-S379 WeakPolarHBondContact CA-OG 3.21Å; E376-S379 CarbonylContact O-C 3.23Å; E376-S379 PolarHBondContact O-N 2.92Å; E376-S379 VanDerWaalsContact O-N 3.12Å; E376-S379 PolarHBondContact O-OG 2.91Å; E376-N380 PolarHBondContact O-N 3.32Å
377	M	80	Confident	83.1	Confident	29 Å²	29	63.8 Å²	63.8	14%	0.143	32%	0.32	C	S	.	.	H	α-helix	trans	-61.5	-30.6	175	-64.9	161.2	91.1	0	0	112.1	M231 R260 L373 N374 A375 L383	M231-M377 HydrophobicContact CE-CE 3.22Å; M231-M377 HydrophobicContact SD-CE 3.94Å; R260-M377 HydrophobicContact CG-CE 4Å; R260-M377 VanDerWaalsContact CZ-SD 3.56Å; L373-M377 HydrophobicContact CB-CB 4.07Å; L373-M377 HydrophobicContact CD2-CB 4.09Å; L373-M377 HydrophobicContact CD2-CE 3.67Å; L373-M377 HydrophobicContact CD2-SD 4.42Å; N374-M377 HydrophobicContact CB-SD 4.07Å; N374-M377 PolarHBondContact N-SD 3.19Å; N374-M377 VanDerWaalsContact N-SD 3.38Å; N374-M377 WeakPolarHBondContact OD1-CB 3.46Å; N374-M377 WeakPolarHBondContact OD1-CG 3.45Å; N374-M377 PolarHBondContact OD1-N 3.39Å; N374-M377 PolarHBondContact OD1-SD 2.94Å; N374-M377 VanDerWaalsContact OD1-SD 3.38Å; A375-M377 PolarHBondContact O-N 3.37Å; M377-L383 HydrophobicContact CB-CD2 3.76Å; M377-L383 HydrophobicContact CG-CD2 4.26Å; M377-L383 WeakPolarHBondContact O-CD2 3.47Å
378	R	77.8	Confident	82.5	Confident	167 Å²	167	63.4 Å²	63.4	63%	0.63	32%	0.319	S	S	*	.	H	α-helix	trans	-80.1	-27.7	175.1	-65.2	168.4	-156.9	-158.6	4.6	112.6	L373 N374 A375 E376 M384	L373-R378 HydrophobicContact CB-CG 3.87Å; L373-R378 HydrophobicContact CD1-CG 4.19Å; L373-R378 PolarHBondContact O-NE 3.3Å; L373-R378 VanDerWaalsContact O-NE 3.07Å; L373-R378 PolarHBondContact O-NH2 3.47Å; N374-R378 WeakPolarHBondContact O-CD 3.15Å; N374-R378 WeakPolarHBondContact O-CG 3.15Å; N374-R378 PolarHBondContact O-NE 2.82Å; A375-R378 WeakPolarHBondContact O-CB 3.47Å; A375-R378 PolarHBondContact O-N 2.66Å; E376-R378 PolarHBondContact O-N 2.79Å; R378-M384 WeakPolarHBondContact O-CG 3.25Å
379	S	74.5	Confident	81.9	Confident	78 Å²	78	67.4 Å²	67.4	55%	0.545	35%	0.347	S	S	.	.	H	α-helix	trans	-80.5	-18.4	171	50.8	0	0	0	0	113.7	A375 E376 F381	A375-S379 PolarHBondContact O-N 2.93Å; A375-S379 PolarHBondContact O-OG 3.15Å; E376-S379 WeakPolarHBondContact CA-OG 3.21Å; E376-S379 CarbonylContact O-C 3.23Å; E376-S379 PolarHBondContact O-N 2.92Å; E376-S379 VanDerWaalsContact O-N 3.12Å; E376-S379 PolarHBondContact O-OG 2.91Å; S379-F381 VanDerWaalsContact O-CD2 3.24Å; S379-F381 WeakPolarHBondContact O-CD2 3.41Å; S379-F381 PolarHBondContact O-N 2.79Å
380	N	82.1	Confident	81.4	Confident	58 Å²	58	71.1 Å²	71.1	31%	0.31	36%	0.362	S	S	.	.			trans	-70.1	99.1	173.6	-175.3	-29.9	0	0	0	110.5	E376 Q382 L383 M384	E376-N380 PolarHBondContact O-N 3.32Å; N380-Q382 VanDerWaalsContact C-N 3.29Å; N380-Q382 PolarHBondContact O-N 3.47Å; N380-Q382 WeakPolarHBondContact OD1-CB 3.39Å; N380-Q382 PolarHBondContact OD1-N 3.15Å; N380-L383 HydrophobicContact CB-CB 4.04Å; N380-L383 PolarHBondContact O-N 3.01Å; N380-L383 PolarHBondContact OD1-N 3.34Å; N380-M384 WeakPolarHBondContact O-CB 3.36Å; N380-M384 WeakPolarHBondContact O-CG 3.38Å; N380-M384 PolarHBondContact O-N 3Å
381	F	81.8	Confident	81.1	Confident	179 Å²	179	73.2 Å²	73.2	79%	0.785	38%	0.375	S	S	*	.	H	α-helix	trans	-62.5	-28.6	-180	-70.5	-84.3	0	0	0	114.3	S379 R385	S379-F381 VanDerWaalsContact O-CD2 3.24Å; S379-F381 WeakPolarHBondContact O-CD2 3.41Å; S379-F381 PolarHBondContact O-N 2.79Å; F381-R385 WeakPolarHBondContact O-CB 3.22Å; F381-R385 PolarHBondContact O-N 3.28Å
382	Q	85.8	Confident	81	Confident	142 Å²	142	78.9 Å²	78.9	66%	0.664	39%	0.394	S	S	*	.	H	α-helix	trans	-71.5	-50.8	178.6	-65.6	173.6	-26.8	0	0	110.2	F229 N380 M384 R385 A386	F229-Q382 HydrophobicContact CE1-CB 4.32Å; F229-Q382 HydrophobicContact CZ-CB 3.88Å; N380-Q382 VanDerWaalsContact C-N 3.29Å; N380-Q382 PolarHBondContact O-N 3.47Å; N380-Q382 WeakPolarHBondContact OD1-CB 3.39Å; N380-Q382 PolarHBondContact OD1-N 3.15Å; Q382-M384 PolarHBondContact O-N 3.43Å; Q382-R385 WeakPolarHBondContact O-CB 3.24Å; Q382-R385 PolarHBondContact O-N 3.35Å; Q382-R385 VanDerWaalsContact O-N 3.17Å; Q382-A386 PolarHBondContact O-N 2.89Å
383	L	85.6	Confident	81.2	Confident	3 Å²	3	77.9 Å²	77.9	2%	0.016	38%	0.382	C	S	.	.	H	α-helix	trans	-56.3	-50.5	172.5	165.8	58.2	0	0	0	111.6	F229 M231 L373 M377 N380 R385 A386 M387	F229-L383 HydrophobicContact CB-CD1 3.87Å; F229-L383 HydrophobicContact CD1-CB 3.82Å; F229-L383 HydrophobicContact CD1-CD1 4.37Å; F229-L383 HydrophobicContact CD2-CD1 4.25Å; F229-L383 HydrophobicContact CE1-CB 3.92Å; F229-L383 HydrophobicContact CG-CB 4.16Å; F229-L383 HydrophobicContact CG-CD1 3.91Å; F229-L383 HydrophobicContact CZ-CB 4.35Å; M231-L383 HydrophobicContact CE-CD1 3.52Å; M231-L383 HydrophobicContact CE-CD2 3.42Å; M231-L383 VanDerWaalsContact CE-CD2 3.42Å; M231-L383 HydrophobicContact CE-CG 4.12Å; M231-L383 HydrophobicContact SD-CD1 3.81Å; M231-L383 HydrophobicContact SD-CD2 4.44Å; L373-L383 HydrophobicContact CD2-CD2 4.46Å; M377-L383 HydrophobicContact CB-CD2 3.76Å; M377-L383 HydrophobicContact CG-CD2 4.26Å; M377-L383 WeakPolarHBondContact O-CD2 3.47Å; N380-L383 HydrophobicContact CB-CB 4.04Å; N380-L383 PolarHBondContact O-N 3.01Å; N380-L383 PolarHBondContact OD1-N 3.34Å; L383-R385 PolarHBondContact O-N 2.78Å; L383-A386 PolarHBondContact O-N 2.92Å; L383-M387 HydrophobicContact CD1-CE 4.31Å; L383-M387 WeakPolarHBondContact O-CB 3.17Å; L383-M387 PolarHBondContact O-N 3.47Å
384	M	86	Confident	81.5	Confident	69 Å²	69	80.7 Å²	80.7	34%	0.34	40%	0.397	S	S	.	.	H	α-helix	trans	-64.3	-29.1	179.9	-71.6	-57	-56.2	0	0	112.2	L373 R378 N380 Q382 S388	L373-M384 HydrophobicContact CD1-SD 3.57Å; L373-M384 VanDerWaalsContact CD1-SD 3.57Å; R378-M384 WeakPolarHBondContact O-CG 3.25Å; N380-M384 WeakPolarHBondContact O-CB 3.36Å; N380-M384 WeakPolarHBondContact O-CG 3.38Å; N380-M384 PolarHBondContact O-N 3Å; Q382-M384 PolarHBondContact O-N 3.43Å; M384-S388 WeakPolarHBondContact O-CB 3.5Å; M384-S388 PolarHBondContact O-N 2.89Å; M384-S388 PolarHBondContact O-OG 2.74Å
385	R	85.4	Confident	82.1	Confident	197 Å²	197	78.3 Å²	78.3	74%	0.743	39%	0.385	S	S	*	.	H	α-helix	trans	-69.2	-50.2	170.5	-178.3	-179.9	177.6	-171.7	-2.2	111.3	F381 Q382 L383 M387 S388 S389	F381-R385 WeakPolarHBondContact O-CB 3.22Å; F381-R385 PolarHBondContact O-N 3.28Å; Q382-R385 WeakPolarHBondContact O-CB 3.24Å; Q382-R385 PolarHBondContact O-N 3.35Å; Q382-R385 VanDerWaalsContact O-N 3.17Å; L383-R385 PolarHBondContact O-N 2.78Å; R385-M387 VanDerWaalsContact C-N 3.33Å; R385-M387 PolarHBondContact O-N 2.72Å; R385-S388 WeakPolarHBondContact CA-OG 3.44Å; R385-S388 PolarHBondContact O-N 3.42Å; R385-S388 PolarHBondContact O-OG 3.48Å; R385-S389 PolarHBondContact O-N 3.39Å
386	A	85.4	Confident	83	Confident	24 Å²	24	81 Å²	81	20%	0.198	38%	0.382	C	S	.	.	H	α-helix	trans	-62.9	-35.2	179.5	0	0	0	0	0	113	F229 Q382 L383 S389 Y390	F229-A386 HydrophobicContact CD2-CB 4.41Å; F229-A386 HydrophobicContact CE2-CB 3.99Å; Q382-A386 PolarHBondContact O-N 2.89Å; L383-A386 PolarHBondContact O-N 2.92Å; A386-S389 PolarHBondContact O-OG 2.92Å; A386-Y390 VanDerWaalsContact O-CD2 3.23Å; A386-Y390 WeakPolarHBondContact O-CD2 3.44Å
387	M	84.6	Confident	83.7	Confident	11 Å²	11	79.2 Å²	79.2	5%	0.054	37%	0.373	C	S	.	.	H	α-helix	trans	-72.8	-32.3	170.8	-175.4	172.4	-62.4	0	0	112.2	M231 L233 V258 L373 L383 R385 Y390 T391	M231-M387 HydrophobicContact SD-CE 4.02Å; L233-M387 HydrophobicContact CD1-CG 4.35Å; L233-M387 HydrophobicContact CD2-CE 4.13Å; L233-M387 HydrophobicContact CD2-CG 4.25Å; L233-M387 HydrophobicContact CD2-SD 4.37Å; V258-M387 HydrophobicContact CB-CE 4.45Å; V258-M387 HydrophobicContact CG1-CE 3.73Å; V258-M387 HydrophobicContact CG2-CE 3.83Å; V258-M387 HydrophobicContact CG2-SD 3.68Å; L373-M387 HydrophobicContact CD1-CE 4.14Å; L373-M387 HydrophobicContact CD1-SD 4.03Å; L373-M387 HydrophobicContact CD2-CE 3.95Å; L373-M387 HydrophobicContact CG-CE 4.42Å; L383-M387 HydrophobicContact CD1-CE 4.31Å; L383-M387 WeakPolarHBondContact O-CB 3.17Å; L383-M387 PolarHBondContact O-N 3.47Å; R385-M387 VanDerWaalsContact C-N 3.33Å; R385-M387 PolarHBondContact O-N 2.72Å; M387-Y390 PolarHBondContact O-N 3.18Å; M387-T391 HydrophobicContact CG-CG2 4.09Å; M387-T391 WeakPolarHBondContact O-CB 3.42Å; M387-T391 WeakPolarHBondContact O-CG2 3.39Å; M387-T391 PolarHBondContact O-N 3.3Å; M387-T391 VanDerWaalsContact O-N 3.09Å; M387-T391 PolarHBondContact O-OG1 3.3Å
388	S	82.4	Confident	84.2	Confident	17 Å²	17	78.6 Å²	78.6	12%	0.119	37%	0.369	C	S	.	.	H	α-helix	trans	-71.1	-28	-177.2	74.1	0	0	0	0	114.4	M384 R385 Y390 T391 R392	M384-S388 WeakPolarHBondContact O-CB 3.5Å; M384-S388 PolarHBondContact O-N 2.89Å; M384-S388 PolarHBondContact O-OG 2.74Å; R385-S388 WeakPolarHBondContact CA-OG 3.44Å; R385-S388 PolarHBondContact O-N 3.42Å; R385-S388 PolarHBondContact O-OG 3.48Å; S388-Y390 VanDerWaalsContact C-N 3.35Å; S388-T391 WeakPolarHBondContact CA-OG1 3.36Å; S388-T391 PolarHBondContact O-N 2.86Å; S388-R392 WeakPolarHBondContact O-CB 3.31Å; S388-R392 WeakPolarHBondContact O-CG 3.33Å; S388-R392 PolarHBondContact O-N 3.43Å
389	S	80.3	Confident	84.7	Confident	83 Å²	83	70.8 Å²	70.8	58%	0.58	34%	0.34	S	S	*	.	H	α-helix	trans	-63.6	-40	175.6	48.3	0	0	0	0	112.1	R385 A386	R385-S389 PolarHBondContact O-N 3.39Å; A386-S389 PolarHBondContact O-OG 2.92Å
390	Y	79.2	Confident	85.4	Confident	103 Å²	103	70.2 Å²	70.2	40%	0.404	33%	0.331	S	S	.	.	H	α-helix	trans	-77	-39.7	176	-59.1	-69.2	0	0	0	112.7	I224 I226 L233 A386 M387 S388	I224-Y390 HydrophobicContact CD1-CD1 4.02Å; I224-Y390 HydrophobicContact CD1-CG 4.48Å; I224-Y390 HydrophobicContact CG2-CD1 4.09Å; I224-Y390 HydrophobicContact CG2-CE1 3.87Å; I224-Y390 HydrophobicContact CG2-CE2 4.33Å; I224-Y390 HydrophobicContact CG2-CG 4.42Å; I226-Y390 HydrophobicContact CD1-CD2 3.97Å; I226-Y390 HydrophobicContact CD1-CE2 4.06Å; I226-Y390 HydrophobicContact CG1-CE2 4.2Å; L233-Y390 HydrophobicContact CD1-CD2 4.08Å; L233-Y390 HydrophobicContact CD1-CG 4.18Å; A386-Y390 VanDerWaalsContact O-CD2 3.23Å; A386-Y390 WeakPolarHBondContact O-CD2 3.44Å; M387-Y390 PolarHBondContact O-N 3.18Å; S388-Y390 VanDerWaalsContact C-N 3.35Å
391	T	82.9	Confident	85.7	Confident	44 Å²	44	72.7 Å²	72.7	27%	0.27	34%	0.336	S	S	.	.	H	α-helix	trans	-87.2	-25.8	-172.3	56.1	0	0	0	0	114.9	L233 H256 M387 S388 M393	L233-T391 HydrophobicContact CD1-CG2 4.31Å; H256-T391 HydrophobicContact CB-CG2 4.15Å; M387-T391 HydrophobicContact CG-CG2 4.09Å; M387-T391 WeakPolarHBondContact O-CB 3.42Å; M387-T391 WeakPolarHBondContact O-CG2 3.39Å; M387-T391 PolarHBondContact O-N 3.3Å; M387-T391 VanDerWaalsContact O-N 3.09Å; M387-T391 PolarHBondContact O-OG1 3.3Å; S388-T391 WeakPolarHBondContact CA-OG1 3.36Å; S388-T391 PolarHBondContact O-N 2.86Å; T391-M393 PolarHBondContact O-N 2.68Å
392	R	84.6	Confident	86.1	Confident	138 Å²	138	64.2 Å²	64.2	52%	0.521	30%	0.299	S	S	.	.			trans	-91	70.6	178.9	-61.4	-177.1	-175.4	162.7	8.8	112.6	S388	S388-R392 WeakPolarHBondContact O-CB 3.31Å; S388-R392 WeakPolarHBondContact O-CG 3.33Å; S388-R392 PolarHBondContact O-N 3.43Å
393	M	85.3	Confident	86.3	Confident	4 Å²	4	63.1 Å²	63.1	2%	0.02	29%	0.289	C	S	.	.			trans	-69.3	138.1	176.3	-65	166	-65.1	0	0	112.6	I254 T391 Q397 R398 R401 G769 T770	I254-M393 HydrophobicContact CB-CE 3.75Å; I254-M393 HydrophobicContact CG1-CE 4.47Å; I254-M393 HydrophobicContact CG2-CE 3.65Å; I254-M393 HydrophobicContact CG2-SD 4.16Å; T391-M393 PolarHBondContact O-N 2.68Å; M393-Q397 HydrophobicContact CB-CB 4.38Å; M393-R398 HydrophobicContact CB-CB 4.48Å; M393-R401 WeakPolarHBondContact SD-CD 3.42Å; M393-G769 CarbonylContact O-C 3.6Å; M393-G769 VanDerWaalsContact O-CA 3.3Å; M393-G769 WeakPolarHBondContact O-CA 2.97Å; M393-T770 PolarHBondContact O-N 2.85Å; M393-T770 PolarHBondContact O-OG1 2.87Å
394	N	87.6	Confident	86.6	Confident	81 Å²	81	65.9 Å²	65.9	43%	0.433	31%	0.312	S	S	.	.			trans	-64.4	148.1	166.3	177	-68.3	0	0	0	110.2	K396 Q397 R398	N394-K396 PolarHBondContact O-N 2.78Å; N394-K396 PolarHBondContact OD1-N 2.86Å; N394-Q397 HydrophobicContact CB-CB 4.42Å; N394-Q397 HydrophobicContact CB-CG 4.21Å; N394-Q397 VanDerWaalsContact N-OE1 3.07Å; N394-Q397 WeakPolarHBondContact O-CB 3.43Å; N394-Q397 PolarHBondContact O-N 3.13Å; N394-Q397 VanDerWaalsContact O-N 3.1Å; N394-R398 PolarHBondContact O-N 2.92Å
395	P	89.7	Confident	86.8	Confident	1 Å²	1	62.7 Å²	62.7	1%	0.006	30%	0.296	C	S	.	.	H	α-helix	trans	-33.6	-59.2	169.1	-38.9	40.2	0	0	0	115.9	Q397 R398 T399 F735 G738 N740 T770	P395-Q397 PolarHBondContact O-N 3.4Å; P395-R398 WeakPolarHBondContact O-CA 3.34Å; P395-R398 WeakPolarHBondContact O-CB 3.39Å; P395-R398 PolarHBondContact O-N 2.85Å; P395-T399 PolarHBondContact O-N 3.38Å; P395-T399 PolarHBondContact O-OG1 3.5Å; P395-F735 HydrophobicContact CB-CD1 3.79Å; P395-F735 HydrophobicContact CB-CE1 4.12Å; P395-F735 HydrophobicContact CG-CD1 4.36Å; P395-G738 VanDerWaalsContact CB-O 3.23Å; P395-G738 WeakPolarHBondContact CB-O 3.33Å; P395-N740 HydrophobicContact CG-CB 4.3Å; P395-N740 VanDerWaalsContact CG-CG 3.47Å; P395-N740 WeakPolarHBondContact CG-OD1 3.34Å; P395-T770 HydrophobicContact CG-CG2 4.46Å
396	K	88.2	Confident	87.1	Confident	136 Å²	136	53.4 Å²	53.4	59%	0.591	26%	0.261	S	S	*	.	H	α-helix	trans	-56.9	-50.1	-179.6	-176.6	173.8	-178.9	179.8	0	111.7	N394 R398 T399 D400 G738	N394-K396 PolarHBondContact O-N 2.78Å; N394-K396 PolarHBondContact OD1-N 2.86Å; K396-R398 PolarHBondContact O-N 3.06Å; K396-R398 VanDerWaalsContact O-N 3.16Å; K396-T399 PolarHBondContact O-N 2.97Å; K396-T399 VanDerWaalsContact O-N 3.14Å; K396-D400 WeakPolarHBondContact CG-OD2 3.41Å; K396-D400 PolarHBondContact O-N 3.43Å; K396-G738 PolarHBondContact N-O 3.04Å
397	Q	88.8	Confident	87.5	Confident	99 Å²	99	58 Å²	58	46%	0.463	28%	0.278	S	S	.	.	H	α-helix	trans	-60.6	-24.5	177.3	-66.4	176.3	-32.5	0	0	114.2	M393 N394 P395 R401	M393-Q397 HydrophobicContact CB-CB 4.38Å; N394-Q397 HydrophobicContact CB-CB 4.42Å; N394-Q397 HydrophobicContact CB-CG 4.21Å; N394-Q397 VanDerWaalsContact N-OE1 3.07Å; N394-Q397 WeakPolarHBondContact O-CB 3.43Å; N394-Q397 PolarHBondContact O-N 3.13Å; N394-Q397 VanDerWaalsContact O-N 3.1Å; P395-Q397 PolarHBondContact O-N 3.4Å; Q397-R401 WeakPolarHBondContact O-CG 3.27Å; Q397-R401 PolarHBondContact O-NH1 2.87Å
398	R	89.9	Confident	87.9	Confident	16 Å²	16	61.2 Å²	61.2	6%	0.06	29%	0.29	C	S	.	.	H	α-helix	trans	-81.5	-47.2	173.6	-173.7	-179.5	-64.3	-80.8	-4.7	110.6	E253 I254 M393 N394 P395 K396 D400 R401 L402 F735 T770	E253-R398 IonicContact OE1-CZ 2.66Å; E253-R398 IonicContact OE1-NE 2.72Å; E253-R398 IonicContact OE1-NH1 2.78Å; E253-R398 PolarHBondContact OE1-NH1 2.99Å; E253-R398 WeakPolarHBondContact OE2-CD 3.23Å; E253-R398 IonicContact OE2-CZ 3.98Å; E253-R398 IonicContact OE2-NE 2.65Å; E253-R398 IonicContact OE2-NH1 3.33Å; E253-R398 PolarHBondContact OE2-NH1 3.09Å; I254-R398 HydrophobicContact CG1-CG 4.06Å; I254-R398 PolarHBondContact O-NH1 2.89Å; M393-R398 HydrophobicContact CB-CB 4.48Å; N394-R398 PolarHBondContact O-N 2.92Å; P395-R398 WeakPolarHBondContact O-CA 3.34Å; P395-R398 WeakPolarHBondContact O-CB 3.39Å; P395-R398 PolarHBondContact O-N 2.85Å; K396-R398 PolarHBondContact O-N 3.06Å; K396-R398 VanDerWaalsContact O-N 3.16Å; R398-D400 VanDerWaalsContact C-N 3.29Å; R398-D400 PolarHBondContact O-N 3.29Å; R398-R401 PolarHBondContact O-N 2.81Å; R398-L402 HydrophobicContact CG-CD1 4.11Å; R398-L402 WeakPolarHBondContact O-CG 3.5Å; R398-L402 PolarHBondContact O-N 3.07Å; R398-F735 HydrophobicContact CG-CZ 4.39Å; R398-T770 PolarHBondContact NE-OG1 3.45Å; R398-T770 PolarHBondContact NH2-OG1 3.07Å
399	T	88.3	Confident	88.3	Confident	4 Å²	4	60.5 Å²	60.5	3%	0.025	29%	0.285	C	S	.	.	H	α-helix	trans	-58	-40.8	176.1	-53.7	0	0	0	0	111.7	P395 K396 R401 L402 R403	P395-T399 PolarHBondContact O-N 3.38Å; P395-T399 PolarHBondContact O-OG1 3.5Å; K396-T399 PolarHBondContact O-N 2.97Å; K396-T399 VanDerWaalsContact O-N 3.14Å; T399-R401 PolarHBondContact O-N 2.82Å; T399-L402 WeakPolarHBondContact O-CB 3.42Å; T399-L402 PolarHBondContact O-N 2.84Å; T399-R403 WeakPolarHBondContact O-CG 3.41Å; T399-R403 PolarHBondContact O-N 2.73Å
400	D	89	Confident	88.9	Confident	65 Å²	65	58.6 Å²	58.6	35%	0.348	27%	0.267	S	S	.	.	H	α-helix	trans	-68.9	-34.6	178.9	-61.8	-28	0	0	0	112.2	K396 R398 R403 A404	K396-D400 WeakPolarHBondContact CG-OD2 3.41Å; K396-D400 PolarHBondContact O-N 3.43Å; R398-D400 VanDerWaalsContact C-N 3.29Å; R398-D400 PolarHBondContact O-N 3.29Å; D400-R403 PolarHBondContact O-N 3.5Å; D400-R403 IonicContact OD1-NH1 2.69Å; D400-R403 PolarHBondContact OD1-NH1 2.6Å; D400-A404 WeakPolarHBondContact O-CB 3.49Å; D400-A404 PolarHBondContact O-N 2.9Å
401	R	89.1	Confident	89.7	Confident	111 Å²	111	58.5 Å²	58.5	42%	0.419	27%	0.273	S	S	.	.	H	α-helix	trans	-68.6	-36.4	170.4	-77.4	173.1	175.9	74.7	-2	112.8	I254 M393 Q397 R398 T399 A404 F405	I254-R401 HydrophobicContact CD1-CB 3.93Å; I254-R401 HydrophobicContact CG1-CB 4.16Å; M393-R401 WeakPolarHBondContact SD-CD 3.42Å; Q397-R401 WeakPolarHBondContact O-CG 3.27Å; Q397-R401 PolarHBondContact O-NH1 2.87Å; R398-R401 PolarHBondContact O-N 2.81Å; T399-R401 PolarHBondContact O-N 2.82Å; R401-A404 PolarHBondContact O-N 2.94Å; R401-F405 WeakPolarHBondContact O-CB 3.34Å; R401-F405 PolarHBondContact O-N 2.87Å
402	L	90.6	Very high	90.3	Very high	1 Å²	1	57.5 Å²	57.5	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-66	-40.8	175	-70.5	165.4	0	0	0	111.3	N102 F104 T252 I254 R398 T399 F405 N406	N102-L402 HydrophobicContact CB-CD1 3.65Å; F104-L402 HydrophobicContact CZ-CB 4.25Å; T252-L402 HydrophobicContact CG2-CD2 4.01Å; T252-L402 WeakPolarHBondContact O-CD2 3.21Å; I254-L402 HydrophobicContact CD1-CD2 3.79Å; I254-L402 HydrophobicContact CD1-CG 4.08Å; I254-L402 HydrophobicContact CG1-CD2 4.25Å; I254-L402 HydrophobicContact CG1-CG 4.3Å; R398-L402 HydrophobicContact CG-CD1 4.11Å; R398-L402 WeakPolarHBondContact O-CG 3.5Å; R398-L402 PolarHBondContact O-N 3.07Å; T399-L402 WeakPolarHBondContact O-CB 3.42Å; T399-L402 PolarHBondContact O-N 2.84Å; L402-F405 PolarHBondContact O-N 2.8Å; L402-N406 PolarHBondContact O-N 2.88Å
403	R	90.3	Very high	90.8	Very high	118 Å²	118	55 Å²	55	45%	0.445	27%	0.269	S	S	.	.	H	α-helix	trans	-61.6	-47.2	171	-71.1	169.2	177.1	146.5	-4.1	111.8	T399 D400 F405 N406 H407	T399-R403 WeakPolarHBondContact O-CG 3.41Å; T399-R403 PolarHBondContact O-N 2.73Å; D400-R403 PolarHBondContact O-N 3.5Å; D400-R403 IonicContact OD1-NH1 2.69Å; D400-R403 PolarHBondContact OD1-NH1 2.6Å; R403-F405 VanDerWaalsContact C-N 3.32Å; R403-F405 PolarHBondContact O-N 3Å; R403-N406 PolarHBondContact O-N 2.7Å; R403-H407 WeakPolarHBondContact O-CB 3.37Å; R403-H407 PolarHBondContact O-N 2.74Å
404	A	90.8	Very high	91.2	Very high	61 Å²	61	60.2 Å²	60.2	50%	0.504	29%	0.293	S	S	.	.	H	α-helix	trans	-61.6	-38	177.9	0	0	0	0	0	112.6	D400 R401 R408	D400-A404 WeakPolarHBondContact O-CB 3.49Å; D400-A404 PolarHBondContact O-N 2.9Å; R401-A404 PolarHBondContact O-N 2.94Å; A404-R408 WeakPolarHBondContact O-CB 3.45Å; A404-R408 PolarHBondContact O-N 3.13Å
405	F	90.1	Very high	91.4	Very high	2 Å²	2	56.3 Å²	56.3	1%	0.009	27%	0.272	C	S	.	.	H	α-helix	trans	-63.8	-49.1	172.4	172.3	-101.2	0	0	0	112.4	M205 L208 Y237 T239 T252 R401 L402 R403 H407 R408 L409	M205-F405 HydrophobicContact CE-CE1 4.32Å; M205-F405 HydrophobicContact CE-CZ 3.76Å; M205-F405 HydrophobicContact SD-CE2 4.44Å; M205-F405 HydrophobicContact SD-CZ 3.87Å; L208-F405 HydrophobicContact CD1-CD2 4.45Å; L208-F405 HydrophobicContact CD1-CE2 3.7Å; L208-F405 HydrophobicContact CD1-CZ 4.3Å; Y237-F405 HydrophobicContact CD1-CB 4.15Å; Y237-F405 HydrophobicContact CD1-CD1 4.41Å; Y237-F405 AromaticContact CD1-CD2 3.52Å; Y237-F405 HydrophobicContact CD1-CD2 3.52Å; Y237-F405 AromaticContact CD1-CE2 3.94Å; Y237-F405 HydrophobicContact CD1-CE2 3.94Å; Y237-F405 AromaticContact CD1-CG 3.76Å; Y237-F405 HydrophobicContact CD1-CG 3.76Å; Y237-F405 AromaticContact CD2-CD2 3.65Å; Y237-F405 HydrophobicContact CD2-CD2 3.65Å; Y237-F405 AromaticContact CD2-CE2 3.65Å; Y237-F405 HydrophobicContact CD2-CE2 3.65Å; Y237-F405 HydrophobicContact CE1-CB 3.55Å; Y237-F405 AromaticContact CE1-CD2 3.46Å; Y237-F405 HydrophobicContact CE1-CD2 3.46Å; Y237-F405 VanDerWaalsContact CE1-CD2 3.46Å; Y237-F405 HydrophobicContact CE1-CE2 4.3Å; Y237-F405 AromaticContact CE1-CG 3.64Å; Y237-F405 HydrophobicContact CE1-CG 3.64Å; Y237-F405 AromaticContact CE2-CD2 3.6Å; Y237-F405 HydrophobicContact CE2-CD2 3.6Å; Y237-F405 HydrophobicContact CE2-CE2 4.04Å; Y237-F405 AromaticContact CG-CD2 3.61Å; Y237-F405 HydrophobicContact CG-CD2 3.61Å; Y237-F405 AromaticContact CG-CE2 3.6Å; Y237-F405 HydrophobicContact CG-CE2 3.6Å; Y237-F405 HydrophobicContact CG-CG 4.29Å; Y237-F405 HydrophobicContact CG-CZ 4.27Å; Y237-F405 AromaticContact CZ-CD2 3.5Å; T239-F405 HydrophobicContact CG2-CZ 4.27Å; T252-F405 HydrophobicContact CG2-CD1 3.82Å; T252-F405 HydrophobicContact CG2-CE1 3.68Å; T252-F405 HydrophobicContact CG2-CG 4.49Å; T252-F405 HydrophobicContact CG2-CZ 4.26Å; R401-F405 WeakPolarHBondContact O-CB 3.34Å; R401-F405 PolarHBondContact O-N 2.87Å; L402-F405 PolarHBondContact O-N 2.8Å; R403-F405 VanDerWaalsContact C-N 3.32Å; R403-F405 PolarHBondContact O-N 3Å; F405-H407 VanDerWaalsContact C-N 3.3Å; F405-H407 PolarHBondContact O-N 2.74Å; F405-R408 PolarHBondContact O-N 2.66Å; F405-L409 HydrophobicContact CE1-CD2 4.32Å; F405-L409 HydrophobicContact CZ-CD2 4.44Å; F405-L409 WeakPolarHBondContact O-CB 3.43Å; F405-L409 PolarHBondContact O-N 2.78Å
406	N	92.4	Very high	91.6	Very high	3 Å²	3	57.4 Å²	57.4	2%	0.016	28%	0.279	C	S	.	.	H	α-helix	trans	-59.3	-44	177.3	-168.8	19.4	0	0	0	110.9	F104 L402 R403 L409 Q410 L426 D427 K428	F104-N406 HydrophobicContact CD1-CB 4.33Å; F104-N406 VanDerWaalsContact CD1-ND2 3.26Å; F104-N406 WeakPolarHBondContact CD1-ND2 3.42Å; F104-N406 HydrophobicContact CE1-CB 3.8Å; F104-N406 VanDerWaalsContact CE1-ND2 3.3Å; F104-N406 WeakPolarHBondContact CE1-ND2 3.41Å; F104-N406 HydrophobicContact CE2-CB 4.3Å; F104-N406 HydrophobicContact CZ-CB 3.78Å; L402-N406 PolarHBondContact O-N 2.88Å; R403-N406 PolarHBondContact O-N 2.7Å; N406-L409 PolarHBondContact O-N 2.77Å; N406-Q410 PolarHBondContact ND2-NE2 2.93Å; N406-Q410 WeakPolarHBondContact O-CB 3.18Å; N406-Q410 WeakPolarHBondContact O-CG 3.34Å; N406-Q410 PolarHBondContact O-N 2.74Å; N406-Q410 PolarHBondContact OD1-NE2 3.22Å; N406-L426 WeakPolarHBondContact OD1-CD2 3.38Å; N406-D427 PolarHBondContact ND2-O 2.82Å; N406-K428 WeakPolarHBondContact ND2-CA 3.42Å; N406-K428 PolarHBondContact ND2-O 2.85Å
407	H	93.6	Very high	91.8	Very high	120 Å²	120	57.1 Å²	57.1	56%	0.556	28%	0.278	S	S	*	.	H	α-helix	trans	-63	-44	176.7	-167.6	54.5	0	0	0	112.4	R403 F405 L409 Q410 N411	R403-H407 WeakPolarHBondContact O-CB 3.37Å; R403-H407 PolarHBondContact O-N 2.74Å; F405-H407 VanDerWaalsContact C-N 3.3Å; F405-H407 PolarHBondContact O-N 2.74Å; H407-L409 VanDerWaalsContact C-N 3.31Å; H407-L409 PolarHBondContact O-N 3.16Å; H407-Q410 PolarHBondContact O-N 2.94Å; H407-N411 PolarHBondContact CD2-ND2 3.26Å; H407-N411 PolarHBondContact CE1-ND2 3.45Å; H407-N411 PolarHBondContact CE1-OD1 2.89Å; H407-N411 PolarHBondContact ND1-OD1 3.1Å; H407-N411 PolarHBondContact NE2-ND2 2.99Å; H407-N411 WeakPolarHBondContact O-CB 3.49Å; H407-N411 PolarHBondContact O-N 2.98Å; H407-N411 PolarHBondContact O-OD1 2.98Å
408	R	92.4	Very high	91.9	Very high	79 Å²	79	53 Å²	53	30%	0.298	26%	0.26	S	S	.	.	H	α-helix	trans	-58	-43.5	172.4	-177.5	-177	167.8	168.6	-8.1	111.4	L208 D219 A404 F405 N411 T412	L208-R408 HydrophobicContact CD2-CG 3.87Å; L208-R408 PolarHBondContact O-NH2 3.2Å; D219-R408 IonicContact OD2-CZ 2.7Å; D219-R408 VanDerWaalsContact OD2-CZ 3.3Å; D219-R408 IonicContact OD2-NH1 2.63Å; D219-R408 PolarHBondContact OD2-NH1 3.31Å; D219-R408 IonicContact OD2-NH2 3.53Å; D219-R408 PolarHBondContact OD2-NH2 3.19Å; A404-R408 WeakPolarHBondContact O-CB 3.45Å; A404-R408 PolarHBondContact O-N 3.13Å; F405-R408 PolarHBondContact O-N 2.66Å; R408-N411 PolarHBondContact O-N 3.21Å; R408-T412 WeakPolarHBondContact O-CB 3.29Å; R408-T412 PolarHBondContact O-N 2.86Å; R408-T412 VanDerWaalsContact O-N 3.15Å; R408-T412 PolarHBondContact O-OG1 2.8Å
409	L	91.4	Very high	92	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.01	26%	0.26	C	S	.	.	H	α-helix	trans	-68	-35.1	179.4	-174.9	64	0	0	0	112.9	M205 L208 L250 F405 N406 H407 V416 L426	M205-L409 HydrophobicContact CE-CD1 4.35Å; M205-L409 HydrophobicContact CE-CD2 3.66Å; M205-L409 HydrophobicContact SD-CD1 4.13Å; M205-L409 HydrophobicContact SD-CD2 4.4Å; L208-L409 HydrophobicContact CD1-CD1 3.96Å; L208-L409 HydrophobicContact CD2-CB 4.32Å; L208-L409 HydrophobicContact CD2-CD1 4.03Å; L208-L409 HydrophobicContact CG-CD1 3.92Å; L250-L409 HydrophobicContact CD2-CD2 4.36Å; F405-L409 HydrophobicContact CE1-CD2 4.32Å; F405-L409 HydrophobicContact CZ-CD2 4.44Å; F405-L409 WeakPolarHBondContact O-CB 3.43Å; F405-L409 PolarHBondContact O-N 2.78Å; N406-L409 PolarHBondContact O-N 2.77Å; H407-L409 VanDerWaalsContact C-N 3.31Å; H407-L409 PolarHBondContact O-N 3.16Å; L409-V416 WeakPolarHBondContact O-CG2 3.11Å; L409-L426 HydrophobicContact CD2-CD2 3.58Å; L409-L426 HydrophobicContact CG-CD2 4.23Å
410	Q	93	Very high	92.1	Very high	42 Å²	42	61.6 Å²	61.6	20%	0.196	29%	0.292	C	S	.	.	H	α-helix	trans	-82.5	-17.3	176.5	-67.7	-168.1	33	0	0	114.6	N406 H407 V416 L426 D427	N406-Q410 PolarHBondContact ND2-NE2 2.93Å; N406-Q410 WeakPolarHBondContact O-CB 3.18Å; N406-Q410 WeakPolarHBondContact O-CG 3.34Å; N406-Q410 PolarHBondContact O-N 2.74Å; N406-Q410 PolarHBondContact OD1-NE2 3.22Å; H407-Q410 PolarHBondContact O-N 2.94Å; Q410-V416 WeakPolarHBondContact O-CG2 3.42Å; Q410-L426 HydrophobicContact CG-CD2 4.4Å; Q410-L426 PolarHBondContact NE2-O 2.79Å; Q410-D427 PolarHBondContact NE2-O 3.1Å
411	N	94.9	Very high	92.2	Very high	101 Å²	101	59.6 Å²	59.6	54%	0.54	28%	0.282	S	S	.	.	H	α-helix	trans	-93.4	-12.4	174.1	-64.4	-1	0	0	0	112.7	H407 R408 P413	H407-N411 PolarHBondContact CD2-ND2 3.26Å; H407-N411 PolarHBondContact CE1-ND2 3.45Å; H407-N411 PolarHBondContact CE1-OD1 2.89Å; H407-N411 PolarHBondContact ND1-OD1 3.1Å; H407-N411 PolarHBondContact NE2-ND2 2.99Å; H407-N411 WeakPolarHBondContact O-CB 3.49Å; H407-N411 PolarHBondContact O-N 2.98Å; H407-N411 PolarHBondContact O-OD1 2.98Å; R408-N411 PolarHBondContact O-N 3.21Å; N411-P413 WeakPolarHBondContact O-CD 3.45Å
412	T	95.9	Very high	92.3	Very high	23 Å²	23	54.4 Å²	54.4	14%	0.141	26%	0.262	C	S	.	.			trans	-86.5	107.7	-179.1	-60.1	0	0	0	0	109.8	G207 L208 R408 E414 S415 V416	G207-T412 WeakPolarHBondContact O-CG2 3.41Å; L208-T412 HydrophobicContact CD2-CG2 4.4Å; L208-T412 WeakPolarHBondContact CD2-OG1 3.28Å; R408-T412 WeakPolarHBondContact O-CB 3.29Å; R408-T412 PolarHBondContact O-N 2.86Å; R408-T412 VanDerWaalsContact O-N 3.15Å; R408-T412 PolarHBondContact O-OG1 2.8Å; T412-E414 VanDerWaalsContact C-N 3.31Å; T412-E414 WeakPolarHBondContact CG2-OE2 3.32Å; T412-E414 PolarHBondContact O-N 2.78Å; T412-S415 WeakPolarHBondContact O-CB 3.48Å; T412-S415 PolarHBondContact O-N 2.87Å; T412-S415 VanDerWaalsContact O-N 3.09Å; T412-V416 WeakPolarHBondContact O-CG2 3.43Å; T412-V416 PolarHBondContact O-N 3.26Å
413	P	94.6	Very high	92.3	Very high	87 Å²	87	56.8 Å²	56.8	57%	0.565	28%	0.275	S	S	*	.	H	α-helix	trans	-65.1	-31.7	-168.1	24.8	-32.6	0	0	0	113.2	N411 K417	N411-P413 WeakPolarHBondContact O-CD 3.45Å; P413-K417 WeakPolarHBondContact O-CB 3.42Å; P413-K417 PolarHBondContact O-N 2.85Å
414	E	93.5	Very high	92.4	Very high	112 Å²	112	51.3 Å²	51.3	52%	0.523	25%	0.254	S	S	.	.	H	α-helix	trans	-65.4	-41	175.5	-57.7	72.6	-159.8	0	0	111.4	T412 V418	T412-E414 VanDerWaalsContact C-N 3.31Å; T412-E414 WeakPolarHBondContact CG2-OE2 3.32Å; T412-E414 PolarHBondContact O-N 2.78Å; E414-V418 WeakPolarHBondContact O-CG2 3.36Å; E414-V418 PolarHBondContact O-N 2.84Å
415	S	93.1	Very high	92.5	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-70.2	-43.9	178.1	-66.5	0	0	0	0	111.9	S204 G207 L208 T412 V418 L419	S204-S415 WeakPolarHBondContact O-CA 3.39Å; S204-S415 WeakPolarHBondContact O-CB 3.47Å; S204-S415 PolarHBondContact O-OG 3.25Å; S204-S415 PolarHBondContact OG-O 3.04Å; G207-S415 WeakPolarHBondContact CA-OG 3.49Å; L208-S415 PolarHBondContact N-OG 2.82Å; T412-S415 WeakPolarHBondContact O-CB 3.48Å; T412-S415 PolarHBondContact O-N 2.87Å; T412-S415 VanDerWaalsContact O-N 3.09Å; S415-V418 PolarHBondContact O-N 3.46Å; S415-L419 PolarHBondContact O-N 2.99Å
416	V	93.8	Very high	92.6	Very high	24 Å²	24	54.3 Å²	54.3	15%	0.145	26%	0.258	C	S	.	.	H	α-helix	trans	-66.1	-42.4	177.8	173.1	0	0	0	0	111.2	L409 Q410 T412 V418 L419 R420	L409-V416 WeakPolarHBondContact O-CG2 3.11Å; Q410-V416 WeakPolarHBondContact O-CG2 3.42Å; T412-V416 WeakPolarHBondContact O-CG2 3.43Å; T412-V416 PolarHBondContact O-N 3.26Å; V416-V418 VanDerWaalsContact C-N 3.32Å; V416-V418 PolarHBondContact O-N 2.85Å; V416-L419 PolarHBondContact O-N 2.87Å; V416-L419 VanDerWaalsContact O-N 3.1Å; V416-R420 HydrophobicContact CG1-CG 4.1Å; V416-R420 PolarHBondContact O-N 3.31Å
417	K	92	Very high	92.7	Very high	130 Å²	130	55.8 Å²	55.8	57%	0.565	27%	0.266	S	S	*	.	H	α-helix	trans	-54.3	-49.2	176.9	178.2	170.1	179.7	174.3	0	110.6	P413 L419 R420 D421	P413-K417 WeakPolarHBondContact O-CB 3.42Å; P413-K417 PolarHBondContact O-N 2.85Å; K417-L419 PolarHBondContact O-N 3.27Å; K417-R420 PolarHBondContact O-N 3.32Å; K417-D421 WeakPolarHBondContact CG-OD2 3.34Å; K417-D421 VanDerWaalsContact O-CB 3.25Å; K417-D421 WeakPolarHBondContact O-CB 3.47Å; K417-D421 PolarHBondContact O-N 2.68Å
418	V	91.6	Very high	92.4	Very high	13 Å²	13	57 Å²	57	8%	0.079	27%	0.269	C	S	.	.	H	α-helix	trans	-59.9	-31	179.6	174.2	0	0	0	0	113.5	I200 R203 E414 S415 V416	I200-V418 HydrophobicContact CG2-CG1 4.45Å; R203-V418 HydrophobicContact CB-CG1 3.9Å; R203-V418 HydrophobicContact CG-CG1 3.82Å; R203-V418 HydrophobicContact CG-CG2 3.9Å; E414-V418 WeakPolarHBondContact O-CG2 3.36Å; E414-V418 PolarHBondContact O-N 2.84Å; S415-V418 PolarHBondContact O-N 3.46Å; V416-V418 VanDerWaalsContact C-N 3.32Å; V416-V418 PolarHBondContact O-N 2.85Å
419	L	91.3	Very high	92.2	Very high	13 Å²	13	59.4 Å²	59.4	7%	0.068	29%	0.288	C	S	.	.	H	α-helix	trans	-77.7	-46.3	175.8	-63	176.4	0	0	0	111.4	L106 I200 S415 V416 K417 D421 W422 N423 M424 L426	L106-L419 HydrophobicContact CD2-CD2 4.39Å; I200-L419 HydrophobicContact CG2-CD2 4.32Å; S415-L419 PolarHBondContact O-N 2.99Å; V416-L419 PolarHBondContact O-N 2.87Å; V416-L419 VanDerWaalsContact O-N 3.1Å; K417-L419 PolarHBondContact O-N 3.27Å; L419-D421 VanDerWaalsContact C-N 3.31Å; L419-D421 PolarHBondContact O-N 2.91Å; L419-W422 CarbonylContact O-C 3.52Å; L419-W422 PolarHBondContact O-N 3.5Å; L419-W422 VanDerWaalsContact O-N 3.09Å; L419-N423 PolarHBondContact O-N 2.71Å; L419-M424 CarbonylContact C-O 3.51Å; L419-M424 PolarHBondContact O-N 2.89Å; L419-L426 HydrophobicContact CD1-CB 4.23Å
420	R	91.8	Very high	92.1	Very high	186 Å²	186	60.2 Å²	60.2	70%	0.702	29%	0.294	S	S	*	.	H	α-helix	trans	-60	-40.4	175.1	-69.8	-176.3	-175.7	169.7	4.7	112.3	V416 K417 W422 N423	V416-R420 HydrophobicContact CG1-CG 4.1Å; V416-R420 PolarHBondContact O-N 3.31Å; K417-R420 PolarHBondContact O-N 3.32Å; R420-W422 PolarHBondContact O-N 2.69Å; R420-W422 VanDerWaalsContact O-N 3.17Å; R420-N423 PolarHBondContact O-N 2.95Å
421	D	90.6	Very high	92	Very high	24 Å²	24	59.2 Å²	59.2	13%	0.128	29%	0.29	C	S	.	.	H	α-helix	trans	-53.5	-35.3	176.1	-75.9	-16.1	0	0	0	111	S144 G145 K417 L419	S144-D421 PolarHBondContact OG-O 3.2Å; G145-D421 VanDerWaalsContact CA-O 3.24Å; G145-D421 WeakPolarHBondContact CA-O 3.48Å; G145-D421 PolarHBondContact N-O 2.94Å; K417-D421 WeakPolarHBondContact CG-OD2 3.34Å; K417-D421 VanDerWaalsContact O-CB 3.25Å; K417-D421 WeakPolarHBondContact O-CB 3.47Å; K417-D421 PolarHBondContact O-N 2.68Å; L419-D421 VanDerWaalsContact C-N 3.31Å; L419-D421 PolarHBondContact O-N 2.91Å
422	W	91.4	Very high	91.9	Very high	2 Å²	2	59.1 Å²	59.1	1%	0.008	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	10.6	177.9	-81.7	81.3	0	0	0	114.4	W112 I114 L147 F154 T156 V196 I200 L419 R420 M424	W112-W422 HydrophobicContact CZ2-CE3 4.29Å; W112-W422 PolarHBondContact NE1-O 3.15Å; I114-W422 HydrophobicContact CG2-CZ3 4.32Å; L147-W422 HydrophobicContact CB-CZ2 4.28Å; L147-W422 HydrophobicContact CD1-CZ2 4.17Å; L147-W422 HydrophobicContact CG-CH2 4.5Å; L147-W422 HydrophobicContact CG-CZ2 3.81Å; F154-W422 HydrophobicContact CB-CH2 4.24Å; F154-W422 WeakPolarHBondContact O-CH2 3.47Å; T156-W422 HydrophobicContact CG2-CE3 3.66Å; T156-W422 HydrophobicContact CG2-CZ3 4.05Å; V196-W422 HydrophobicContact CG1-CH2 4.06Å; V196-W422 HydrophobicContact CG1-CZ3 4.12Å; I200-W422 HydrophobicContact CD1-CD2 3.44Å; I200-W422 VanDerWaalsContact CD1-CD2 3.44Å; I200-W422 HydrophobicContact CD1-CE3 3.41Å; I200-W422 VanDerWaalsContact CD1-CE3 3.41Å; I200-W422 HydrophobicContact CD1-CG 3.95Å; I200-W422 HydrophobicContact CD1-CH2 4.25Å; I200-W422 HydrophobicContact CD1-CZ2 4.28Å; I200-W422 HydrophobicContact CD1-CZ3 3.83Å; I200-W422 HydrophobicContact CG1-CD2 3.78Å; I200-W422 HydrophobicContact CG1-CE3 4.22Å; I200-W422 HydrophobicContact CG1-CG 4.1Å; I200-W422 HydrophobicContact CG1-CZ2 4.18Å; I200-W422 HydrophobicContact CG2-CG 4.21Å; L419-W422 CarbonylContact O-C 3.52Å; L419-W422 PolarHBondContact O-N 3.5Å; L419-W422 VanDerWaalsContact O-N 3.09Å; R420-W422 PolarHBondContact O-N 2.69Å; R420-W422 VanDerWaalsContact O-N 3.17Å; W422-M424 VanDerWaalsContact C-N 3.26Å; W422-M424 HydrophobicContact CB-CG 3.94Å; W422-M424 HydrophobicContact CB-SD 4.28Å; W422-M424 WeakPolarHBondContact O-CG 3.18Å; W422-M424 PolarHBondContact O-N 2.94Å
423	N	90.8	Very high	91.8	Very high	50 Å²	50	58.1 Å²	58.1	27%	0.267	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	57	36.5	-174.6	-61.7	-100.1	0	0	0	113.3	K109 T156 L419 R420	K109-N423 HydrophobicContact CD-CB 4.23Å; K109-N423 VanDerWaalsContact CE-OD1 3.27Å; K109-N423 WeakPolarHBondContact CE-OD1 3.3Å; K109-N423 PolarHBondContact NZ-OD1 2.89Å; T156-N423 PolarHBondContact OG1-ND2 3.2Å; L419-N423 PolarHBondContact O-N 2.71Å; R420-N423 PolarHBondContact O-N 2.95Å
424	M	91.4	Very high	91.8	Very high	4 Å²	4	59.8 Å²	59.8	2%	0.02	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	137.9	177.6	-44.8	-171.8	87.7	0	0	111	L106 K107 T108 W112 L197 I200 I248 L419 W422	L106-M424 HydrophobicContact CB-CE 4.23Å; L106-M424 HydrophobicContact CD2-CB 4.33Å; L106-M424 HydrophobicContact CD2-CE 3.7Å; L106-M424 HydrophobicContact CD2-SD 3.99Å; K107-M424 CarbonylContact O-C 3.56Å; K107-M424 WeakPolarHBondContact O-CA 3.38Å; T108-M424 HydrophobicContact CG2-CE 3.72Å; T108-M424 HydrophobicContact CG2-CG 4.29Å; W112-M424 HydrophobicContact CH2-CE 3.9Å; W112-M424 HydrophobicContact CH2-SD 4.37Å; W112-M424 HydrophobicContact CZ2-CE 3.85Å; W112-M424 HydrophobicContact CZ2-CG 4.15Å; W112-M424 HydrophobicContact CZ2-SD 3.89Å; L197-M424 HydrophobicContact CD2-CE 3.87Å; L197-M424 HydrophobicContact CD2-SD 4.47Å; I200-M424 HydrophobicContact CD1-SD 4.46Å; I200-M424 HydrophobicContact CG2-SD 4.41Å; I248-M424 HydrophobicContact CD1-CE 3.83Å; I248-M424 HydrophobicContact CG2-CE 4.5Å; L419-M424 CarbonylContact C-O 3.51Å; L419-M424 PolarHBondContact O-N 2.89Å; W422-M424 VanDerWaalsContact C-N 3.26Å; W422-M424 HydrophobicContact CB-CG 3.94Å; W422-M424 HydrophobicContact CB-SD 4.28Å; W422-M424 WeakPolarHBondContact O-CG 3.18Å; W422-M424 PolarHBondContact O-N 2.94Å
425	E	92.9	Very high	91.9	Very high	116 Å²	116	54.4 Å²	54.4	54%	0.542	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	137.9	171.6	-173	179.7	-171.9	0	0	110.2	L106 K107	L106-E425 CarbonylContact C-O 3.41Å; L106-E425 WeakPolarHBondContact CA-O 3.37Å; K107-E425 HydrophobicContact CB-CB 4.4Å; K107-E425 PolarHBondContact N-O 2.84Å; K107-E425 PolarHBondContact O-N 3.15Å
426	L	93.4	Very high	92.1	Very high	9 Å²	9	55.3 Å²	55.3	5%	0.047	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	123.9	179.5	-177	62.7	0	0	0	110.2	F104 L106 L250 N406 L409 Q410 L419 K428	F104-L426 HydrophobicContact CB-CD1 3.63Å; F104-L426 HydrophobicContact CB-CG 4.45Å; L106-L426 HydrophobicContact CD1-CD1 3.63Å; L106-L426 HydrophobicContact CG-CD1 4.2Å; L250-L426 HydrophobicContact CB-CD1 4.42Å; L250-L426 HydrophobicContact CD2-CD1 4.07Å; L250-L426 HydrophobicContact CD2-CD2 4.38Å; N406-L426 WeakPolarHBondContact OD1-CD2 3.38Å; L409-L426 HydrophobicContact CD2-CD2 3.58Å; L409-L426 HydrophobicContact CG-CD2 4.23Å; Q410-L426 HydrophobicContact CG-CD2 4.4Å; Q410-L426 PolarHBondContact NE2-O 2.79Å; L419-L426 HydrophobicContact CD1-CB 4.23Å; L426-K428 PolarHBondContact O-N 2.77Å
427	D	93.1	Very high	92.3	Very high	34 Å²	34	55.9 Å²	55.9	18%	0.182	26%	0.261	C	S	.	.			trans	-64.6	134.3	179.4	-99	-39	0	0	0	112	R105 K107 N406 Q410 N429	R105-D427 HydrophobicContact CB-CB 4.2Å; R105-D427 PolarHBondContact O-N 2.84Å; K107-D427 WeakPolarHBondContact CE-OD1 3.4Å; K107-D427 WeakPolarHBondContact CE-OD2 3.24Å; K107-D427 IonicContact NZ-OD1 2.67Å; K107-D427 PolarHBondContact NZ-OD1 2.68Å; K107-D427 IonicContact NZ-OD2 3.58Å; N406-D427 PolarHBondContact ND2-O 2.82Å; Q410-D427 PolarHBondContact NE2-O 3.1Å; D427-N429 VanDerWaalsContact C-N 3.29Å
428	K	88.7	Confident	92.5	Very high	145 Å²	145	50 Å²	50	63%	0.63	24%	0.236	S	C	*	.	S	Bend	trans	-65.2	-35.9	177.4	-71	170.3	-175.1	175.9	0	111.8	N406 L426	N406-K428 WeakPolarHBondContact ND2-CA 3.42Å; N406-K428 PolarHBondContact ND2-O 2.85Å; L426-K428 PolarHBondContact O-N 2.77Å
429	N	86.7	Confident	92.5	Very high	130 Å²	130	51.6 Å²	51.6	70%	0.695	25%	0.254	S	S	*	.	S	Bend	trans	-88.2	149.2	-179.8	-65.3	-14.1	0	0	0	110.9	D427	D427-N429 VanDerWaalsContact C-N 3.29Å
430	V	89.1	Confident	92.7	Very high	20 Å²	20	55.5 Å²	55.5	12%	0.121	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-66.3	140.1	169.6	169	0	0	0	0	109	Q100 T101 F104 E432	Q100-V430 HydrophobicContact CB-CG1 4.47Å; T101-V430 WeakPolarHBondContact O-CG1 3.41Å; F104-V430 HydrophobicContact CD1-CG2 4.38Å; F104-V430 HydrophobicContact CE1-CB 4.47Å; F104-V430 HydrophobicContact CE1-CG2 3.61Å; F104-V430 HydrophobicContact CZ-CG2 3.98Å; V430-E432 PolarHBondContact O-N 3.19Å
431	T	91.9	Very high	92.9	Very high	21 Å²	21	47.5 Å²	47.5	13%	0.129	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-62.9	122.4	173.1	-52.8	0	0	0	0	109.7	T101 F103 R105 L249 V433 V750	T101-T431 WeakPolarHBondContact CB-O 3.37Å; T101-T431 VanDerWaalsContact CG2-O 3.32Å; T101-T431 WeakPolarHBondContact CG2-O 3.48Å; T101-T431 PolarHBondContact N-O 2.82Å; T101-T431 PolarHBondContact OG1-O 2.96Å; F103-T431 PolarHBondContact O-N 2.84Å; F103-T431 PolarHBondContact O-OG1 2.94Å; R105-T431 PolarHBondContact N-OG1 2.77Å; L249-T431 HydrophobicContact CD2-CG2 4.38Å; T431-V433 HydrophobicContact CG2-CG2 4.4Å; T431-V750 HydrophobicContact CG2-CG1 4.05Å
432	E	92.1	Very high	93.2	Very high	98 Å²	98	48.6 Å²	48.6	46%	0.458	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	145.8	171.9	-54.1	-161.4	149.9	0	0	110.3	M98 L99 Q100 V430	M98-E432 HydrophobicContact CE-CB 3.66Å; L99-E432 CarbonylContact O-C 3.5Å; L99-E432 WeakPolarHBondContact O-CA 3.39Å; Q100-E432 HydrophobicContact CG-CG 3.95Å; Q100-E432 WeakPolarHBondContact CG-OE1 3.27Å; Q100-E432 PolarHBondContact NE2-OE1 2.99Å; V430-E432 PolarHBondContact O-N 3.19Å
433	V	93.9	Very high	93.5	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.012	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	137.1	-173.9	-178.5	0	0	0	0	110	L99 T101 T431 G435 V747 V750 I751	L99-V433 PolarHBondContact N-O 2.93Å; L99-V433 PolarHBondContact O-N 3.34Å; T101-V433 HydrophobicContact CG2-CB 4.18Å; T101-V433 HydrophobicContact CG2-CG2 3.51Å; T431-V433 HydrophobicContact CG2-CG2 4.4Å; V433-G435 PolarHBondContact O-N 3.18Å; V433-V747 HydrophobicContact CG1-CG1 3.62Å; V433-V750 HydrophobicContact CB-CB 4.42Å; V433-V750 HydrophobicContact CG1-CB 3.87Å; V433-V750 HydrophobicContact CG1-CG2 4Å; V433-V750 HydrophobicContact CG2-CB 3.73Å; V433-V750 HydrophobicContact CG2-CG1 3.78Å; V433-V750 HydrophobicContact CG2-CG2 4.37Å; V433-I751 HydrophobicContact CG2-CG2 4.14Å
434	Q	94.8	Very high	93.7	Very high	122 Å²	122	47.9 Å²	47.9	57%	0.57	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-74.6	112.4	170.3	-168.7	178.6	28.2	0	0	109.2	M98	M98-Q434 HydrophobicContact SD-CB 3.95Å; M98-Q434 HydrophobicContact SD-CG 4.41Å
435	G	96.3	Very high	93.9	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	-176.7	168.5	0	0	0	0	0	111.6	P96 V97 V433 I746	P96-G435 WeakPolarHBondContact CA-O 3.19Å; V97-G435 PolarHBondContact N-O 2.87Å; V97-G435 PolarHBondContact O-N 3.28Å; V433-G435 PolarHBondContact O-N 3.18Å; G435-I746 CarbonylContact C-O 3.57Å; G435-I746 WeakPolarHBondContact CA-O 3.4Å
436	R	97.1	Very high	94	Very high	19 Å²	19	47.4 Å²	47.4	7%	0.072	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	148.7	174.7	-67.7	171	-65.7	103.8	3.2	110.7	G91 D93 V95 T745 I746 D748	G91-R436 VanDerWaalsContact O-CZ 3.24Å; G91-R436 PolarHBondContact O-NE 3.22Å; D93-R436 WeakPolarHBondContact O-CD 3.4Å; D93-R436 PolarHBondContact O-NH1 2.88Å; V95-R436 CarbonylContact O-C 3.59Å; V95-R436 VanDerWaalsContact O-CA 3.28Å; V95-R436 WeakPolarHBondContact O-CA 3.27Å; R436-T745 CarbonylContact O-C 3.6Å; R436-T745 WeakPolarHBondContact O-CA 3.42Å; R436-I746 PolarHBondContact N-O 2.74Å; R436-I746 PolarHBondContact O-N 2.78Å; R436-D748 IonicContact CZ-OD2 2.7Å; R436-D748 IonicContact NH2-OD1 3.97Å; R436-D748 IonicContact NH2-OD2 2.76Å; R436-D748 PolarHBondContact NH2-OD2 2.68Å
437	I	97.4	Very high	93.7	Very high	36 Å²	36	52 Å²	52	19%	0.185	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	116.2	170.4	-58.1	169.5	0	0	0	108.1	G94 V95 V97 L736 P742	G94-I437 CarbonylContact C-O 3.47Å; G94-I437 WeakPolarHBondContact CA-O 3.36Å; V95-I437 PolarHBondContact N-O 2.78Å; V95-I437 PolarHBondContact O-N 2.92Å; V97-I437 HydrophobicContact CG1-CD1 3.68Å; V97-I437 HydrophobicContact CG1-CG1 4.15Å; V97-I437 HydrophobicContact CG2-CD1 4.29Å; V97-I437 HydrophobicContact CG2-CG1 4.01Å; I437-L736 HydrophobicContact CD1-CD2 4.37Å; I437-P742 HydrophobicContact CD1-CG 3.6Å; I437-P742 HydrophobicContact CG1-CG 4.2Å; I437-P742 HydrophobicContact CG2-CG 4.5Å
438	I	95.6	Very high	93.6	Very high	7 Å²	7	52.4 Å²	52.4	4%	0.036	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-67.5	132.9	170.7	-61.1	-172.1	0	0	0	108.9	G744 I746 K792 Y795	I438-G744 PolarHBondContact N-O 2.99Å; I438-I746 HydrophobicContact CD1-CD1 3.51Å; I438-I746 HydrophobicContact CD1-CG1 4.46Å; I438-I746 HydrophobicContact CG1-CD1 4.07Å; I438-K792 HydrophobicContact CD1-CB 4.18Å; I438-K792 HydrophobicContact CG2-CG 4.42Å; I438-Y795 HydrophobicContact CB-CD1 4.05Å; I438-Y795 HydrophobicContact CB-CE1 4.35Å; I438-Y795 HydrophobicContact CG2-CD1 3.89Å; I438-Y795 HydrophobicContact CG2-CE1 4.34Å
439	G	93.4	Very high	93.9	Very high	45 Å²	45	51.2 Å²	51.2	46%	0.464	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-55.8	159.1	177.9	0	0	0	0	0	114	Q441	G439-Q441 PolarHBondContact O-NE2 2.74Å
440	Q	94.9	Very high	94.3	Very high	96 Å²	96	45.9 Å²	45.9	45%	0.449	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-56.8	149.9	-179.6	-60.4	-178	24.3	0	0	111.6	G453	Q440-G453 VanDerWaalsContact CD-C 3.46Å
441	Q	95.8	Very high	94.6	Very high	17 Å²	17	48.1 Å²	48.1	8%	0.079	26%	0.262	C	S	.	.			trans	-109.1	145.3	-178.7	-55.7	-62.7	-63.4	0	0	110.6	G439 A452 I601 Y795 K796	G439-Q441 PolarHBondContact O-NE2 2.74Å; Q441-A452 WeakPolarHBondContact O-CB 3.49Å; Q441-A452 PolarHBondContact O-N 3Å; Q441-I601 HydrophobicContact CB-CD1 3.64Å; Q441-Y795 HydrophobicContact CG-CD1 4.16Å; Q441-Y795 HydrophobicContact CG-CE1 4.08Å; Q441-K796 VanDerWaalsContact OE1-CG 3.27Å
442	N	96.3	Very high	94.7	Very high	48 Å²	48	47.3 Å²	47.3	26%	0.257	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	123.3	179.2	-61.2	-48.9	0	0	0	111.4	K449 V450 I601 E602	N442-K449 HydrophobicContact CB-CB 4.36Å; N442-K449 HydrophobicContact CB-CD 4.12Å; N442-K449 HydrophobicContact CB-CG 4.36Å; N442-V450 CarbonylContact C-O 3.45Å; N442-V450 WeakPolarHBondContact CA-O 3.11Å; N442-I601 WeakPolarHBondContact O-CD1 3.49Å; N442-E602 HydrophobicContact CB-CG 4.37Å; N442-E602 WeakPolarHBondContact CB-OE2 3.37Å; N442-E602 PolarHBondContact ND2-OE2 2.86Å
443	I	97.1	Very high	94.7	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	120.8	172.4	-50.7	-57.6	0	0	0	108.3	F445 K449 V450 A452 W458 W599 I601 H799	I443-F445 HydrophobicContact CB-CE2 4.15Å; I443-F445 HydrophobicContact CG2-CD2 4.18Å; I443-F445 HydrophobicContact CG2-CE2 3.53Å; I443-F445 HydrophobicContact CG2-CZ 3.98Å; I443-K449 CarbonylContact O-C 3.51Å; I443-K449 WeakPolarHBondContact O-CA 3.23Å; I443-K449 WeakPolarHBondContact O-CB 3.37Å; I443-V450 HydrophobicContact CB-CG2 4.16Å; I443-V450 PolarHBondContact N-O 3.46Å; I443-V450 PolarHBondContact O-N 2.78Å; I443-A452 HydrophobicContact CD1-CB 4.32Å; I443-A452 HydrophobicContact CG1-CB 4.23Å; I443-W458 HydrophobicContact CD1-CD2 3.88Å; I443-W458 HydrophobicContact CD1-CE3 3.86Å; I443-W458 HydrophobicContact CD1-CH2 3.74Å; I443-W458 HydrophobicContact CD1-CZ2 3.77Å; I443-W458 HydrophobicContact CD1-CZ3 3.78Å; I443-W458 HydrophobicContact CG1-CB 4.49Å; I443-W458 HydrophobicContact CG1-CD2 3.68Å; I443-W458 HydrophobicContact CG1-CE3 3.89Å; I443-W458 HydrophobicContact CG1-CG 3.95Å; I443-W458 HydrophobicContact CG1-CZ2 4.44Å; I443-W458 HydrophobicContact CG1-CZ3 4.34Å; I443-W458 HydrophobicContact CG2-CG 4.45Å; I443-W599 HydrophobicContact CG2-CB 3.68Å; I443-W599 HydrophobicContact CG2-CG 3.77Å; I443-I601 HydrophobicContact CD1-CD1 4.22Å; I443-H799 HydrophobicContact CD1-CB 4.33Å
444	V	96.6	Very high	94.4	Very high	36 Å²	36	51.1 Å²	51.1	22%	0.218	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	128.2	-176.4	-171.5	0	0	0	0	110.1	K449 L468 W599 M600 E602	V444-K449 HydrophobicContact CG2-CB 4.35Å; V444-L468 HydrophobicContact CG1-CD1 4.23Å; V444-W599 CarbonylContact O-C 3.48Å; V444-W599 VanDerWaalsContact O-CA 3.3Å; V444-W599 WeakPolarHBondContact O-CA 3.48Å; V444-W599 WeakPolarHBondContact O-CB 3.42Å; V444-M600 HydrophobicContact CB-CB 4.43Å; V444-M600 PolarHBondContact N-O 2.78Å; V444-M600 PolarHBondContact O-N 2.83Å; V444-E602 HydrophobicContact CG2-CG 4.01Å
445	F	96.1	Very high	94.2	Very high	3 Å²	3	49.9 Å²	49.9	1%	0.013	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	-179.6	177.6	-75.4	-81.3	0	0	0	109.8	I443 N447 G448 V450 F462 Q465 R466 L468 W599	I443-F445 HydrophobicContact CB-CE2 4.15Å; I443-F445 HydrophobicContact CG2-CD2 4.18Å; I443-F445 HydrophobicContact CG2-CE2 3.53Å; I443-F445 HydrophobicContact CG2-CZ 3.98Å; F445-N447 PolarHBondContact O-N 3.29Å; F445-G448 CarbonylContact C-O 3.43Å; F445-G448 PolarHBondContact N-O 3.25Å; F445-G448 VanDerWaalsContact O-O 3.14Å; F445-V450 HydrophobicContact CD2-CG2 4.12Å; F445-V450 HydrophobicContact CE2-CG2 3.73Å; F445-F462 AromaticContact CE1-CD1 3.86Å; F445-F462 HydrophobicContact CE1-CD1 3.86Å; F445-F462 AromaticContact CE1-CE1 3.52Å; F445-F462 HydrophobicContact CE1-CE1 3.52Å; F445-F462 HydrophobicContact CE1-CZ 4Å; F445-F462 HydrophobicContact CZ-CD1 4.25Å; F445-F462 AromaticContact CZ-CE1 3.82Å; F445-F462 HydrophobicContact CZ-CE1 3.82Å; F445-F462 HydrophobicContact CZ-CE2 4.28Å; F445-F462 AromaticContact CZ-CZ 3.81Å; F445-F462 HydrophobicContact CZ-CZ 3.81Å; F445-Q465 HydrophobicContact CB-CB 4.39Å; F445-Q465 HydrophobicContact CD1-CB 3.95Å; F445-Q465 HydrophobicContact CD2-CB 4.37Å; F445-Q465 HydrophobicContact CD2-CG 4.37Å; F445-Q465 HydrophobicContact CE1-CB 4.29Å; F445-Q465 HydrophobicContact CG-CB 3.98Å; F445-Q465 HydrophobicContact CG-CG 4.37Å; F445-R466 WeakPolarHBondContact CD1-O 3.4Å; F445-L468 WeakPolarHBondContact O-CD1 3.46Å; F445-W599 HydrophobicContact CE1-CB 4.18Å; F445-W599 HydrophobicContact CZ-CB 4.33Å
446	H	93.6	Very high	94.1	Very high	108 Å²	108	50 Å²	50	50%	0.5	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-43	-178.4	-167.3	73	0	0	0	112.2	R466 L468	H446-R466 HydrophobicContact CB-CB 4.09Å; H446-R466 PolarHBondContact N-O 2.91Å; H446-L468 PolarHBondContact ND1-O 2.97Å; H446-L468 VanDerWaalsContact ND1-O 3.14Å
447	N	87.6	Confident	94	Very high	106 Å²	106	51.1 Å²	51.1	57%	0.567	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.4	50.6	-176.7	-69.2	1.8	0	0	0	111.8	F445	F445-N447 PolarHBondContact O-N 3.29Å
448	G	91.4	Very high	93.8	Very high	41 Å²	41	49.5 Å²	49.5	42%	0.423	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	112.6	-151	174.4	0	0	0	0	0	114.2	F445	F445-G448 CarbonylContact C-O 3.43Å; F445-G448 PolarHBondContact N-O 3.25Å; F445-G448 VanDerWaalsContact O-O 3.14Å
449	K	94.5	Very high	93.6	Very high	120 Å²	120	52.3 Å²	52.3	52%	0.522	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	151.1	-172.6	67.7	-167.8	-177.3	-173.6	0	112.4	N442 I443 V444 E602	N442-K449 HydrophobicContact CB-CB 4.36Å; N442-K449 HydrophobicContact CB-CD 4.12Å; N442-K449 HydrophobicContact CB-CG 4.36Å; I443-K449 CarbonylContact O-C 3.51Å; I443-K449 WeakPolarHBondContact O-CA 3.23Å; I443-K449 WeakPolarHBondContact O-CB 3.37Å; V444-K449 HydrophobicContact CG2-CB 4.35Å; K449-E602 WeakPolarHBondContact CD-OE1 3.16Å; K449-E602 WeakPolarHBondContact CE-OE1 3.49Å; K449-E602 IonicContact NZ-OE1 2.76Å; K449-E602 PolarHBondContact NZ-OE1 2.76Å
450	V	95.4	Very high	93.3	Very high	18 Å²	18	60.1 Å²	60.1	11%	0.109	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	147	178.1	-59.7	0	0	0	0	110.7	N442 I443 F445 H461	N442-V450 CarbonylContact C-O 3.45Å; N442-V450 WeakPolarHBondContact CA-O 3.11Å; I443-V450 HydrophobicContact CB-CG2 4.16Å; I443-V450 PolarHBondContact N-O 3.46Å; I443-V450 PolarHBondContact O-N 2.78Å; F445-V450 HydrophobicContact CD2-CG2 4.12Å; F445-V450 HydrophobicContact CE2-CG2 3.73Å; V450-H461 HydrophobicContact CG2-CB 4.15Å
451	P	95.3	Very high	93	Very high	68 Å²	68	58.9 Å²	58.9	44%	0.442	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	146.5	172.7	29.4	-34.9	0	0	0	110.8	G453	P451-G453 PolarHBondContact O-N 2.78Å
452	A	93.8	Very high	92.5	Very high	3 Å²	3	58.4 Å²	58.4	3%	0.025	30%	0.3	C	S	.	.			trans	-67.4	-12.9	176.1	0	0	0	0	0	114.3	Q441 I443 A456 D457 W458	Q441-A452 WeakPolarHBondContact O-CB 3.49Å; Q441-A452 PolarHBondContact O-N 3Å; I443-A452 HydrophobicContact CD1-CB 4.32Å; I443-A452 HydrophobicContact CG1-CB 4.23Å; A452-A456 VanDerWaalsContact O-CA 3.27Å; A452-A456 WeakPolarHBondContact O-CA 3.37Å; A452-A456 PolarHBondContact O-N 2.94Å; A452-D457 PolarHBondContact O-N 2.8Å; A452-W458 HydrophobicContact CB-CE3 3.8Å; A452-W458 HydrophobicContact CB-CZ3 3.95Å
453	G	92.3	Very high	91.7	Very high	29 Å²	29	65.7 Å²	65.7	30%	0.299	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.1	165.5	-175.1	0	0	0	0	0	113.3	Q440 P451 N455 A456	Q440-G453 VanDerWaalsContact CD-C 3.46Å; P451-G453 PolarHBondContact O-N 2.78Å; G453-N455 PolarHBondContact O-N 2.9Å; G453-A456 PolarHBondContact O-N 2.83Å
454	E	88.4	Confident	91	Very high	152 Å²	152	71.8 Å²	71.8	71%	0.71	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-34.5	178.7	-57.5	176.3	155.1	0	0	112.6	A456	E454-A456 VanDerWaalsContact C-N 3.34Å
455	N	89.3	Confident	90.6	Very high	95 Å²	95	72 Å²	72	51%	0.508	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-5	179.7	-80.1	-70.9	0	0	0	113.5	G453 D457 Q765	G453-N455 PolarHBondContact O-N 2.9Å; N455-D457 VanDerWaalsContact C-N 3.26Å; N455-D457 PolarHBondContact O-N 2.95Å; N455-Q765 WeakPolarHBondContact O-CG 3.26Å; N455-Q765 PolarHBondContact O-NE2 2.72Å
456	A	94.7	Very high	90.6	Very high	2 Å²	2	78.5 Å²	78.5	2%	0.017	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	47.7	45.7	-176.8	0	0	0	0	0	113.8	A452 G453 E454 P743 G806 T807	A452-A456 VanDerWaalsContact O-CA 3.27Å; A452-A456 WeakPolarHBondContact O-CA 3.37Å; A452-A456 PolarHBondContact O-N 2.94Å; G453-A456 PolarHBondContact O-N 2.83Å; E454-A456 VanDerWaalsContact C-N 3.34Å; A456-P743 HydrophobicContact CB-CB 3.67Å; A456-P743 HydrophobicContact CB-CG 3.81Å; A456-G806 CarbonylContact O-C 3.51Å; A456-G806 WeakPolarHBondContact O-CA 3.26Å; A456-T807 HydrophobicContact CB-CG2 3.7Å; A456-T807 WeakPolarHBondContact CB-OG1 3.27Å; A456-T807 PolarHBondContact O-N 2.91Å
457	D	93.9	Very high	90.7	Very high	44 Å²	44	73.4 Å²	73.4	24%	0.235	36%	0.356	C	S	.	.	B	Isolated β-bridge	trans	-135.8	108.8	178.4	-178.4	-26.7	0	0	0	108	A452 N455 Q459 R767	A452-D457 PolarHBondContact O-N 2.8Å; N455-D457 VanDerWaalsContact C-N 3.26Å; N455-D457 PolarHBondContact O-N 2.95Å; D457-Q459 VanDerWaalsContact OD1-CB 3.28Å; D457-Q459 WeakPolarHBondContact OD1-CB 3.5Å; D457-Q459 PolarHBondContact OD1-N 3.01Å; D457-R767 IonicContact OD2-NH2 3.13Å
458	W	94.4	Very high	91.1	Very high	1 Å²	1	70 Å²	70	0%	0.004	34%	0.337	C	S	.	.			trans	-105.2	19.1	-177.2	52.6	97.9	0	0	0	112.6	I443 A452 R460 H461 F462 W599 H799 S805 G806	I443-W458 HydrophobicContact CD1-CD2 3.88Å; I443-W458 HydrophobicContact CD1-CE3 3.86Å; I443-W458 HydrophobicContact CD1-CH2 3.74Å; I443-W458 HydrophobicContact CD1-CZ2 3.77Å; I443-W458 HydrophobicContact CD1-CZ3 3.78Å; I443-W458 HydrophobicContact CG1-CB 4.49Å; I443-W458 HydrophobicContact CG1-CD2 3.68Å; I443-W458 HydrophobicContact CG1-CE3 3.89Å; I443-W458 HydrophobicContact CG1-CG 3.95Å; I443-W458 HydrophobicContact CG1-CZ2 4.44Å; I443-W458 HydrophobicContact CG1-CZ3 4.34Å; I443-W458 HydrophobicContact CG2-CG 4.45Å; A452-W458 HydrophobicContact CB-CE3 3.8Å; A452-W458 HydrophobicContact CB-CZ3 3.95Å; W458-R460 PolarHBondContact O-N 3.32Å; W458-H461 PolarHBondContact O-N 3.36Å; W458-H461 VanDerWaalsContact O-N 3.08Å; W458-F462 AromaticContact CD1-CE2 3.42Å; W458-F462 VanDerWaalsContact CD1-CE2 3.42Å; W458-F462 AromaticContact CD1-CZ 3.67Å; W458-F462 HydrophobicContact CG-CE2 4.43Å; W458-F462 AromaticContact NE1-CE2 3.98Å; W458-F462 AromaticContact NE1-CZ 3.88Å; W458-F462 WeakPolarHBondContact O-CD2 3.43Å; W458-W599 AromaticContact CE2-CE2 3.95Å; W458-W599 AromaticContact CE2-NE1 3.98Å; W458-W599 AromaticContact CZ2-CE2 3.75Å; W458-W599 AromaticContact CZ2-CZ2 3.78Å; W458-W599 HydrophobicContact CZ2-CZ2 3.78Å; W458-W599 AromaticContact CZ2-NE1 3.54Å; W458-W599 AromaticContact NE1-CD2 3.76Å; W458-W599 AromaticContact NE1-CE2 3.52Å; W458-W599 AromaticContact NE1-CZ2 3.75Å; W458-W599 AromaticContact NE1-NE1 3.85Å; W458-H799 HydrophobicContact CH2-CB 3.86Å; W458-H799 AromaticContact CH2-CD2 3.72Å; W458-H799 HydrophobicContact CZ2-CB 4.5Å; W458-H799 WeakPolarHBondContact CZ2-O 3.32Å; W458-H799 AromaticContact CZ3-CD2 3.67Å; W458-S805 PolarHBondContact N-O 3.09Å; W458-G806 WeakPolarHBondContact CH2-O 3.5Å; W458-G806 VanDerWaalsContact CZ3-C 3.5Å
459	Q	90.4	Very high	91.4	Very high	66 Å²	66	70.3 Å²	70.3	31%	0.308	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-28	-177.8	-159.9	-164.1	-63.5	0	0	113.3	D457 S805	D457-Q459 VanDerWaalsContact OD1-CB 3.28Å; D457-Q459 WeakPolarHBondContact OD1-CB 3.5Å; D457-Q459 PolarHBondContact OD1-N 3.01Å; Q459-S805 VanDerWaalsContact CB-OG 3.25Å; Q459-S805 WeakPolarHBondContact CB-OG 3.27Å; Q459-S805 WeakPolarHBondContact CG-OG 3.41Å
460	R	87.6	Confident	91.4	Very high	209 Å²	209	66.7 Å²	66.7	79%	0.789	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-35.5	-179.1	-64.3	-176.4	-179.6	-171.4	0.1	112.7	W458 F462 R463	W458-R460 PolarHBondContact O-N 3.32Å; R460-F462 VanDerWaalsContact C-N 3.3Å; R460-F462 PolarHBondContact O-N 2.88Å; R460-R463 WeakPolarHBondContact O-CG 3.46Å; R460-R463 PolarHBondContact O-N 3.3Å
461	H	88.9	Confident	91.4	Very high	71 Å²	71	66.4 Å²	66.4	33%	0.329	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-70.5	-21.1	-172.2	-63.2	-72	0	0	0	114.1	V450 W458 R463 D464 Q465	V450-H461 HydrophobicContact CG2-CB 4.15Å; W458-H461 PolarHBondContact O-N 3.36Å; W458-H461 VanDerWaalsContact O-N 3.08Å; H461-R463 PolarHBondContact O-N 3.06Å; H461-D464 PolarHBondContact O-N 3.08Å; H461-D464 VanDerWaalsContact O-N 3.16Å; H461-Q465 VanDerWaalsContact O-CB 3.31Å; H461-Q465 WeakPolarHBondContact O-CB 3.16Å; H461-Q465 WeakPolarHBondContact O-CG 3.41Å; H461-Q465 PolarHBondContact O-N 3.35Å
462	F	84.5	Confident	91.2	Very high	6 Å²	6	67.9 Å²	67.9	3%	0.026	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-65	-6.5	174.7	-65.3	-88.4	0	0	0	114.9	F445 W458 R460 M504 T584 I588 W599	F445-F462 AromaticContact CE1-CD1 3.86Å; F445-F462 HydrophobicContact CE1-CD1 3.86Å; F445-F462 AromaticContact CE1-CE1 3.52Å; F445-F462 HydrophobicContact CE1-CE1 3.52Å; F445-F462 HydrophobicContact CE1-CZ 4Å; F445-F462 HydrophobicContact CZ-CD1 4.25Å; F445-F462 AromaticContact CZ-CE1 3.82Å; F445-F462 HydrophobicContact CZ-CE1 3.82Å; F445-F462 HydrophobicContact CZ-CE2 4.28Å; F445-F462 AromaticContact CZ-CZ 3.81Å; F445-F462 HydrophobicContact CZ-CZ 3.81Å; W458-F462 AromaticContact CD1-CE2 3.42Å; W458-F462 VanDerWaalsContact CD1-CE2 3.42Å; W458-F462 AromaticContact CD1-CZ 3.67Å; W458-F462 HydrophobicContact CG-CE2 4.43Å; W458-F462 AromaticContact NE1-CE2 3.98Å; W458-F462 AromaticContact NE1-CZ 3.88Å; W458-F462 WeakPolarHBondContact O-CD2 3.43Å; R460-F462 VanDerWaalsContact C-N 3.3Å; R460-F462 PolarHBondContact O-N 2.88Å; F462-M504 HydrophobicContact CB-SD 4.17Å; F462-M504 HydrophobicContact CD1-SD 4.07Å; F462-M504 WeakPolarHBondContact O-CG 3.45Å; F462-T584 HydrophobicContact CB-CG2 4.18Å; F462-I588 HydrophobicContact CD1-CD1 3.7Å; F462-I588 HydrophobicContact CD1-CG1 4.4Å; F462-I588 HydrophobicContact CE1-CD1 3.79Å; F462-I588 HydrophobicContact CE1-CG1 4.47Å; F462-I588 HydrophobicContact CG-CD1 4.13Å; F462-I588 HydrophobicContact CZ-CD1 4.3Å; F462-W599 AromaticContact CE1-CE3 3.6Å; F462-W599 HydrophobicContact CE1-CE3 3.6Å; F462-W599 AromaticContact CE1-CZ3 3.85Å; F462-W599 HydrophobicContact CE1-CZ3 3.85Å; F462-W599 HydrophobicContact CE2-CZ3 4.43Å; F462-W599 HydrophobicContact CZ-CD2 4.16Å; F462-W599 AromaticContact CZ-CE3 3.31Å; F462-W599 HydrophobicContact CZ-CE3 3.31Å; F462-W599 HydrophobicContact CZ-CH2 4.28Å; F462-W599 AromaticContact CZ-CZ3 3.4Å; F462-W599 HydrophobicContact CZ-CZ3 3.4Å; F462-W599 VanDerWaalsContact CZ-CZ3 3.4Å
463	R	80.4	Confident	90.9	Very high	202 Å²	202	71.2 Å²	71.2	76%	0.762	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-72.3	-35.4	172.7	-68.9	177.4	172.6	-164.3	-4.7	111.9	R460 H461	R460-R463 WeakPolarHBondContact O-CG 3.46Å; R460-R463 PolarHBondContact O-N 3.3Å; H461-R463 PolarHBondContact O-N 3.06Å
464	D	81.3	Confident	91	Very high	127 Å²	127	69.8 Å²	69.8	68%	0.679	33%	0.333	S	S	*	.	S	Bend	trans	-122	9.3	-164.4	-35.5	-62.4	0	0	0	111.3	H461	H461-D464 PolarHBondContact O-N 3.08Å; H461-D464 VanDerWaalsContact O-N 3.16Å
465	Q	89.8	Confident	91.3	Very high	42 Å²	42	62.6 Å²	62.6	20%	0.196	30%	0.299	C	S	.	.			trans	-133.4	136	-174.7	-70.5	-64.2	-35.6	0	0	112.2	F445 H461	F445-Q465 HydrophobicContact CB-CB 4.39Å; F445-Q465 HydrophobicContact CD1-CB 3.95Å; F445-Q465 HydrophobicContact CD2-CB 4.37Å; F445-Q465 HydrophobicContact CD2-CG 4.37Å; F445-Q465 HydrophobicContact CE1-CB 4.29Å; F445-Q465 HydrophobicContact CG-CB 3.98Å; F445-Q465 HydrophobicContact CG-CG 4.37Å; H461-Q465 VanDerWaalsContact O-CB 3.31Å; H461-Q465 WeakPolarHBondContact O-CB 3.16Å; H461-Q465 WeakPolarHBondContact O-CG 3.41Å; H461-Q465 PolarHBondContact O-N 3.35Å
466	R	95.1	Very high	91.4	Very high	138 Å²	138	60.1 Å²	60.1	52%	0.521	29%	0.286	S	S	.	.			trans	-82.3	139.5	172.8	-65.9	-177.6	-178.5	177.8	2	110.9	F445 H446 M504	F445-R466 WeakPolarHBondContact CD1-O 3.4Å; H446-R466 HydrophobicContact CB-CB 4.09Å; H446-R466 PolarHBondContact N-O 2.91Å; R466-M504 WeakPolarHBondContact CA-O 3.48Å
467	M	96.3	Very high	91.4	Very high	1 Å²	1	65.8 Å²	65.8	1%	0.005	31%	0.307	C	S	.	.			trans	-57.5	139.3	174.9	-80	-175	-64.7	0	0	111.2	T469 T470 M504 L506 I588 N591 P598	M467-T469 PolarHBondContact O-N 3.32Å; M467-T470 HydrophobicContact CB-CG2 3.99Å; M467-T470 HydrophobicContact CE-CG2 4.13Å; M467-M504 HydrophobicContact CE-CB 3.99Å; M467-M504 HydrophobicContact CE-CE 4.26Å; M467-M504 HydrophobicContact CG-CB 4.24Å; M467-M504 PolarHBondContact N-O 3.4Å; M467-L506 HydrophobicContact CE-CB 3.71Å; M467-L506 HydrophobicContact CE-CD2 4.38Å; M467-I588 HydrophobicContact SD-CG1 4.06Å; M467-N591 HydrophobicContact CE-CB 3.77Å; M467-N591 HydrophobicContact SD-CB 3.84Å; M467-P598 VanDerWaalsContact CA-O 3.3Å; M467-P598 WeakPolarHBondContact CA-O 3.33Å; M467-P598 HydrophobicContact CG-CB 3.95Å; M467-P598 HydrophobicContact SD-CB 3.8Å; M467-P598 HydrophobicContact SD-CG 3.99Å
468	L	96.4	Very high	91.6	Very high	34 Å²	34	64 Å²	64	18%	0.178	30%	0.297	C	S	.	.	S	Bend	trans	-52.4	-47.8	-170.7	178.4	66.8	0	0	0	113.7	V444 F445 H446 T597 P598 M600	V444-L468 HydrophobicContact CG1-CD1 4.23Å; F445-L468 WeakPolarHBondContact O-CD1 3.46Å; H446-L468 PolarHBondContact ND1-O 2.97Å; H446-L468 VanDerWaalsContact ND1-O 3.14Å; L468-T597 HydrophobicContact CD2-CG2 4.13Å; L468-T597 PolarHBondContact N-O 2.96Å; L468-P598 PolarHBondContact N-O 3.49Å; L468-M600 HydrophobicContact CD2-CB 3.35Å; L468-M600 HydrophobicContact CD2-CG 4.43Å
469	T	96	Very high	91.8	Very high	49 Å²	49	63.9 Å²	63.9	30%	0.301	30%	0.297	S	S	.	.			trans	-129.5	144.1	169.3	70.3	0	0	0	0	111.3	M467 N591 T597	M467-T469 PolarHBondContact O-N 3.32Å; T469-N591 PolarHBondContact O-ND2 3.45Å; T469-T597 PolarHBondContact N-O 3.29Å; T469-T597 WeakPolarHBondContact OG1-CB 3.34Å; T469-T597 PolarHBondContact OG1-N 3.46Å
470	T	95.4	Very high	92.2	Very high	43 Å²	43	60.8 Å²	60.8	26%	0.264	28%	0.282	S	S	.	.			trans	-145.6	152.1	178.7	49.8	0	0	0	0	109	M467 S472 L506 Y596	M467-T470 HydrophobicContact CB-CG2 3.99Å; M467-T470 HydrophobicContact CE-CG2 4.13Å; T470-S472 PolarHBondContact O-N 2.7Å; T470-L506 HydrophobicContact CG2-CB 4.39Å; T470-Y596 VanDerWaalsContact C-CD1 3.42Å
471	P	94.9	Very high	92.7	Very high	12 Å²	12	50.9 Å²	50.9	8%	0.078	25%	0.245	C	C	.	.			trans	-61.8	134.3	174.4	23.6	-31.7	0	0	0	111.6	D473 G474 L506 N591 L594 Y596	P471-D473 VanDerWaalsContact C-N 3.25Å; P471-D473 PolarHBondContact O-N 3.36Å; P471-G474 PolarHBondContact O-N 2.87Å; P471-L506 HydrophobicContact CG-CD1 3.96Å; P471-N591 WeakPolarHBondContact CD-OD1 3.44Å; P471-L594 HydrophobicContact CG-CD1 4.18Å; P471-Y596 HydrophobicContact CB-CD2 4.36Å; P471-Y596 HydrophobicContact CB-CE1 4.23Å; P471-Y596 HydrophobicContact CB-CE2 3.72Å; P471-Y596 HydrophobicContact CG-CD2 4.3Å; P471-Y596 HydrophobicContact CG-CE2 4.13Å
472	S	90.5	Very high	93.1	Very high	99 Å²	99	47.5 Å²	47.5	69%	0.692	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-38.3	173.9	47.4	0	0	0	0	112.8	T470 G474 R507	T470-S472 PolarHBondContact O-N 2.7Å; S472-G474 PolarHBondContact O-N 2.88Å; S472-R507 PolarHBondContact O-NH2 2.97Å
473	D	88.4	Confident	93.7	Very high	73 Å²	73	47.3 Å²	47.3	39%	0.39	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-24.8	177	-46.6	-20.1	0	0	0	111.4	P471 R507 K537	P471-D473 VanDerWaalsContact C-N 3.25Å; P471-D473 PolarHBondContact O-N 3.36Å; D473-R507 PolarHBondContact O-NE 3.32Å; D473-R507 VanDerWaalsContact O-NE 3.14Å; D473-R507 PolarHBondContact O-NH2 2.8Å; D473-K537 IonicContact OD2-NZ 2.68Å; D473-K537 PolarHBondContact OD2-NZ 3.16Å
474	G	93.4	Very high	94.4	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.217	C	C	.	.			trans	77.1	-160.8	-161.2	0	0	0	0	0	112.3	P471 S472 D476 R507	P471-G474 PolarHBondContact O-N 2.87Å; S472-G474 PolarHBondContact O-N 2.88Å; G474-D476 PolarHBondContact O-N 3.05Å; G474-R507 CarbonylContact C-O 3.49Å; G474-R507 WeakPolarHBondContact CA-O 3.45Å
475	L	95.3	Very high	95.1	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-92.4	87.6	163.2	-173	55.7	0	0	0	108	W478 R507 V508 R509 K537 L538 L590 L594	L475-W478 HydrophobicContact CD1-CB 3.65Å; L475-W478 HydrophobicContact CD1-CG 3.97Å; L475-W478 HydrophobicContact CD2-CB 4.29Å; L475-W478 HydrophobicContact CD2-CD2 3.75Å; L475-W478 HydrophobicContact CD2-CE3 4.1Å; L475-W478 HydrophobicContact CD2-CG 3.87Å; L475-W478 HydrophobicContact CG-CB 3.87Å; L475-W478 HydrophobicContact CG-CD2 4Å; L475-W478 HydrophobicContact CG-CG 3.58Å; L475-R507 PolarHBondContact N-O 2.63Å; L475-V508 HydrophobicContact CB-CG1 4.34Å; L475-V508 HydrophobicContact CB-CG2 4.19Å; L475-V508 HydrophobicContact CD2-CG1 4.35Å; L475-R509 PolarHBondContact O-N 3.1Å; L475-K537 HydrophobicContact CD1-CB 4.16Å; L475-L538 HydrophobicContact CD1-CB 4.2Å; L475-L590 HydrophobicContact CD2-CD1 4.07Å; L475-L594 HydrophobicContact CB-CD1 4.36Å; L475-L594 HydrophobicContact CD1-CD1 4.03Å; L475-L594 HydrophobicContact CD1-CD2 3.93Å
476	D	91.8	Very high	95.3	Very high	43 Å²	43	42.7 Å²	42.7	23%	0.23	21%	0.205	C	C	.	.			trans	-94.6	-42.8	-170.6	58.6	-21.6	0	0	0	113.8	G474 K537	G474-D476 PolarHBondContact O-N 3.05Å; D476-K537 VanDerWaalsContact OD1-CD 3.22Å; D476-K537 WeakPolarHBondContact OD1-CD 3.41Å; D476-K537 WeakPolarHBondContact OD1-CE 3.47Å; D476-K537 IonicContact OD1-NZ 3.35Å; D476-K537 PolarHBondContact OD1-NZ 3.07Å; D476-K537 IonicContact OD2-NZ 2.78Å; D476-K537 PolarHBondContact OD2-NZ 3.33Å
477	R	95.4	Very high	95.3	Very high	122 Å²	122	37.4 Å²	37.4	46%	0.46	19%	0.189	S	C	.	.	S	Bend	trans	-120.8	101.3	178.4	-170.2	173.4	73.5	-170.1	0.7	109.5	S534 D535 K537	R477-S534 WeakPolarHBondContact CD-O 3.27Å; R477-S534 PolarHBondContact NE-O 2.87Å; R477-D535 VanDerWaalsContact CZ-O 3.23Å; R477-D535 PolarHBondContact NE-O 3.47Å; R477-D535 PolarHBondContact NH2-O 2.65Å; R477-K537 WeakPolarHBondContact O-CB 3.45Å; R477-K537 PolarHBondContact O-N 3.45Å
478	W	97.8	Very high	95.2	Very high	5 Å²	5	44.1 Å²	44.1	2%	0.019	22%	0.22	C	C	.	.			trans	-155.3	167.7	-177.8	73.9	-65.2	0	0	0	110.2	L475 V480 L494 L497 Y498 V508 R509 P511 Q512 L538 L540	L475-W478 HydrophobicContact CD1-CB 3.65Å; L475-W478 HydrophobicContact CD1-CG 3.97Å; L475-W478 HydrophobicContact CD2-CB 4.29Å; L475-W478 HydrophobicContact CD2-CD2 3.75Å; L475-W478 HydrophobicContact CD2-CE3 4.1Å; L475-W478 HydrophobicContact CD2-CG 3.87Å; L475-W478 HydrophobicContact CG-CB 3.87Å; L475-W478 HydrophobicContact CG-CD2 4Å; L475-W478 HydrophobicContact CG-CG 3.58Å; W478-V480 HydrophobicContact CE3-CG2 4.35Å; W478-V480 HydrophobicContact CH2-CG2 4.05Å; W478-V480 HydrophobicContact CZ3-CG2 3.75Å; W478-L494 HydrophobicContact CH2-CD2 3.65Å; W478-L494 HydrophobicContact CZ2-CD2 4.28Å; W478-L497 HydrophobicContact CH2-CD2 3.92Å; W478-Y498 HydrophobicContact CZ2-CE1 4.31Å; W478-V508 HydrophobicContact CZ2-CG1 3.57Å; W478-R509 PolarHBondContact NE1-O 2.88Å; W478-P511 HydrophobicContact CD2-CB 3.83Å; W478-P511 HydrophobicContact CE3-CB 4.19Å; W478-P511 HydrophobicContact CG-CB 4.32Å; W478-P511 HydrophobicContact CH2-CB 4.23Å; W478-P511 HydrophobicContact CH2-CG 4.23Å; W478-P511 HydrophobicContact CZ2-CB 3.85Å; W478-P511 HydrophobicContact CZ2-CG 3.92Å; W478-P511 HydrophobicContact CZ3-CB 4.38Å; W478-P511 WeakPolarHBondContact O-CA 3.34Å; W478-Q512 PolarHBondContact O-N 3.25Å; W478-L538 WeakPolarHBondContact CA-O 3.28Å; W478-L538 WeakPolarHBondContact CB-O 3.17Å; W478-L538 HydrophobicContact CE3-CD2 4.21Å; W478-L540 HydrophobicContact CZ3-CB 4.01Å; W478-L540 HydrophobicContact CZ3-CD1 4.28Å
479	A	98.2	Very high	95.2	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	160.5	-173.5	0	0	0	0	0	113.3	Q512 F514 C531 P536 L538 I539 L540	A479-Q512 VanDerWaalsContact CA-O 3.29Å; A479-Q512 WeakPolarHBondContact CA-O 3.33Å; A479-Q512 HydrophobicContact CB-CB 4.16Å; A479-Q512 WeakPolarHBondContact CB-O 3.42Å; A479-F514 HydrophobicContact CB-CD2 4.24Å; A479-F514 HydrophobicContact CB-CE2 4.29Å; A479-C531 WeakPolarHBondContact CB-SG 3.15Å; A479-P536 HydrophobicContact CB-CB 4.49Å; A479-L538 PolarHBondContact N-O 3.08Å; A479-L538 VanDerWaalsContact N-O 3.12Å; A479-I539 HydrophobicContact CB-CG1 4.5Å; A479-I539 CarbonylContact O-C 3.54Å; A479-I539 WeakPolarHBondContact O-CA 3.37Å; A479-L540 PolarHBondContact O-N 3.22Å
480	V	98.4	Very high	95.2	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.006	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	136	176.2	174.4	0	0	0	0	109.8	W478 A482 L490 L494 P511 Q512 F514 L540	W478-V480 HydrophobicContact CE3-CG2 4.35Å; W478-V480 HydrophobicContact CH2-CG2 4.05Å; W478-V480 HydrophobicContact CZ3-CG2 3.75Å; V480-A482 HydrophobicContact CG1-CB 4.49Å; V480-L490 HydrophobicContact CG1-CD1 3.56Å; V480-L490 HydrophobicContact CG1-CD2 3.57Å; V480-L490 HydrophobicContact CG1-CG 4.2Å; V480-L494 HydrophobicContact CG2-CD2 4.18Å; V480-P511 HydrophobicContact CB-CB 4.4Å; V480-P511 HydrophobicContact CB-CG 4.37Å; V480-P511 HydrophobicContact CG2-CB 3.69Å; V480-P511 HydrophobicContact CG2-CG 3.6Å; V480-Q512 PolarHBondContact N-O 2.76Å; V480-F514 PolarHBondContact O-N 3.11Å; V480-L540 CarbonylContact C-O 3.57Å; V480-L540 VanDerWaalsContact CA-O 3.27Å; V480-L540 WeakPolarHBondContact CA-O 3.49Å; V480-L540 HydrophobicContact CG1-CD2 4.35Å; V480-L540 HydrophobicContact CG2-CB 4.31Å
481	I	98.4	Very high	95.3	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	121.8	172.8	-57	169.6	0	0	0	108.7	F514 I516 Y524 A527 M528 I539 L540 C541 L542	I481-F514 WeakPolarHBondContact CA-O 3.42Å; I481-F514 HydrophobicContact CG1-CB 3.97Å; I481-I516 HydrophobicContact CG2-CD1 4.04Å; I481-I516 HydrophobicContact CG2-CG1 4.48Å; I481-I516 HydrophobicContact CG2-CG2 4.28Å; I481-Y524 HydrophobicContact CB-CD1 4.47Å; I481-Y524 HydrophobicContact CG2-CD1 3.7Å; I481-Y524 HydrophobicContact CG2-CE1 4.13Å; I481-A527 HydrophobicContact CD1-CB 4.06Å; I481-A527 HydrophobicContact CG1-CB 4.32Å; I481-A527 HydrophobicContact CG2-CB 3.94Å; I481-M528 HydrophobicContact CD1-CB 4.22Å; I481-M528 HydrophobicContact CD1-CG 3.36Å; I481-I539 HydrophobicContact CD1-CG2 3.78Å; I481-I539 HydrophobicContact CG1-CG2 4.11Å; I481-L540 PolarHBondContact N-O 3.24Å; I481-C541 WeakPolarHBondContact O-CA 3.34Å; I481-L542 PolarHBondContact O-N 3.5Å
482	A	97.8	Very high	95.3	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	146.3	-177.5	0	0	0	0	0	112.7	V480 L490 F514 I515 I516 L542	V480-A482 HydrophobicContact CG1-CB 4.49Å; A482-L490 HydrophobicContact CB-CD2 3.87Å; A482-F514 PolarHBondContact N-O 2.79Å; A482-I515 WeakPolarHBondContact O-CA 3.4Å; A482-I516 PolarHBondContact O-N 3.12Å; A482-L542 HydrophobicContact CB-CB 4.02Å; A482-L542 HydrophobicContact CB-CD2 4.34Å
483	P	96.4	Very high	95.7	Very high	2 Å²	2	44 Å²	44	1%	0.013	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	140.7	172.3	-21.4	34.5	0	0	0	112.4	R485 N486 I516 D519 Y524 L542	P483-R485 HydrophobicContact CB-CG 4.22Å; P483-R485 PolarHBondContact O-N 3.43Å; P483-R485 VanDerWaalsContact O-N 3.16Å; P483-N486 WeakPolarHBondContact O-CA 3.35Å; P483-N486 PolarHBondContact O-N 3.03Å; P483-I516 CarbonylContact C-O 3.52Å; P483-I516 VanDerWaalsContact CA-O 3.26Å; P483-I516 WeakPolarHBondContact CA-O 3.47Å; P483-I516 HydrophobicContact CG-CG1 4.49Å; P483-D519 HydrophobicContact CG-CB 4.1Å; P483-Y524 WeakPolarHBondContact CD-OH 3.22Å; P483-Y524 VanDerWaalsContact CG-OH 3.31Å; P483-Y524 WeakPolarHBondContact CG-OH 3.5Å; P483-L542 WeakPolarHBondContact CD-O 3.49Å
484	Q	95.5	Very high	96.1	Very high	113 Å²	113	40.7 Å²	40.7	53%	0.528	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-52.4	-39.5	-179.1	-171.3	-178.9	3	0	0	113.5	N486 S487 I515 I516	Q484-N486 PolarHBondContact O-N 3Å; Q484-S487 PolarHBondContact O-N 3.04Å; Q484-S487 PolarHBondContact O-OG 3.03Å; Q484-I515 VanDerWaalsContact CA-CG2 3.48Å; Q484-I515 HydrophobicContact CB-CG2 3.61Å; Q484-I515 HydrophobicContact CG-CG2 4Å; Q484-I516 PolarHBondContact N-O 2.91Å
485	R	95.3	Very high	96.2	Very high	153 Å²	153	44.5 Å²	44.5	58%	0.577	20%	0.2	S	C	*	.	G	3₁₀ helix	trans	-63.3	-7	175.6	73.6	-178.9	-173.1	-151.8	-6.1	114.7	P483 D519	P483-R485 HydrophobicContact CB-CG 4.22Å; P483-R485 PolarHBondContact O-N 3.43Å; P483-R485 VanDerWaalsContact O-N 3.16Å; R485-D519 IonicContact CZ-OD2 3.27Å; R485-D519 IonicContact NH1-OD2 3.79Å; R485-D519 IonicContact NH2-OD2 2.92Å; R485-D519 PolarHBondContact NH2-OD2 3.28Å
486	N	95	Very high	96.3	Very high	9 Å²	9	45.2 Å²	45.2	5%	0.048	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-123.5	13.6	-175.8	-65.8	126.4	0	0	0	113.8	P483 Q484 H488 E489 L490 L542 L571	P483-N486 WeakPolarHBondContact O-CA 3.35Å; P483-N486 PolarHBondContact O-N 3.03Å; Q484-N486 PolarHBondContact O-N 3Å; N486-H488 VanDerWaalsContact C-N 3.27Å; N486-H488 PolarHBondContact O-N 3.12Å; N486-E489 VanDerWaalsContact CA-OE2 3.3Å; N486-E489 WeakPolarHBondContact CA-OE2 3.34Å; N486-E489 PolarHBondContact ND2-OE1 2.83Å; N486-E489 PolarHBondContact ND2-OE2 2.98Å; N486-E489 PolarHBondContact O-N 3.31Å; N486-L490 PolarHBondContact O-N 3.05Å; N486-L542 HydrophobicContact CB-CD2 4.36Å; N486-L571 HydrophobicContact CB-CD1 4.24Å; N486-L571 WeakPolarHBondContact ND2-CD2 3.46Å
487	S	94.1	Very high	96.5	Very high	26 Å²	26	43.1 Å²	43.1	18%	0.182	19%	0.194	C	C	.	.	H	α-helix	trans	-62.1	-29.6	178.3	-60.3	0	0	0	0	113.7	Q484 L490 R491	Q484-S487 PolarHBondContact O-N 3.04Å; Q484-S487 PolarHBondContact O-OG 3.03Å; S487-L490 PolarHBondContact O-N 3.12Å; S487-R491 WeakPolarHBondContact O-CG 3.44Å; S487-R491 PolarHBondContact O-N 3.29Å; S487-R491 VanDerWaalsContact O-N 3.12Å
488	H	95.4	Very high	96.6	Very high	143 Å²	143	39.8 Å²	39.8	66%	0.662	18%	0.182	S	C	*	.	H	α-helix	trans	-68	-49.7	174.7	176.7	76.4	0	0	0	111.4	N486 L490 R491 T492	N486-H488 VanDerWaalsContact C-N 3.27Å; N486-H488 PolarHBondContact O-N 3.12Å; H488-L490 PolarHBondContact O-N 3.32Å; H488-R491 PolarHBondContact O-N 3.48Å; H488-T492 PolarHBondContact O-N 3.3Å; H488-T492 PolarHBondContact O-OG1 3.23Å
489	E	96	Very high	96.4	Very high	26 Å²	26	48.2 Å²	48.2	12%	0.121	21%	0.214	C	C	.	.	H	α-helix	trans	-64.1	-27.2	175.8	-64.8	101.1	141.5	0	0	113.3	N486 L493 L571 T574 K575	N486-E489 VanDerWaalsContact CA-OE2 3.3Å; N486-E489 WeakPolarHBondContact CA-OE2 3.34Å; N486-E489 PolarHBondContact ND2-OE1 2.83Å; N486-E489 PolarHBondContact ND2-OE2 2.98Å; N486-E489 PolarHBondContact O-N 3.31Å; E489-L493 WeakPolarHBondContact O-CB 3.44Å; E489-L493 PolarHBondContact O-N 2.91Å; E489-L493 VanDerWaalsContact O-N 3.17Å; E489-L571 HydrophobicContact CB-CD1 3.68Å; E489-L571 HydrophobicContact CG-CD1 3.74Å; E489-T574 WeakPolarHBondContact CB-OG1 3.28Å; E489-K575 VanDerWaalsContact CG-CE 3.5Å; E489-K575 HydrophobicContact CG-CG 4.46Å; E489-K575 WeakPolarHBondContact OE1-CE 3.47Å; E489-K575 IonicContact OE1-NZ 3.87Å; E489-K575 PolarHBondContact OE1-NZ 2.81Å
490	L	96.5	Very high	96.2	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-65.8	-50.4	172.2	174.9	59.6	0	0	0	111.7	V480 A482 N486 S487 H488 T492 L493 L494 L542	V480-L490 HydrophobicContact CG1-CD1 3.56Å; V480-L490 HydrophobicContact CG1-CD2 3.57Å; V480-L490 HydrophobicContact CG1-CG 4.2Å; A482-L490 HydrophobicContact CB-CD2 3.87Å; N486-L490 PolarHBondContact O-N 3.05Å; S487-L490 PolarHBondContact O-N 3.12Å; H488-L490 PolarHBondContact O-N 3.32Å; L490-T492 VanDerWaalsContact C-N 3.33Å; L490-T492 PolarHBondContact O-N 2.93Å; L490-L493 WeakPolarHBondContact O-CA 3.47Å; L490-L493 WeakPolarHBondContact O-CB 3.06Å; L490-L493 PolarHBondContact O-N 3.06Å; L490-L494 HydrophobicContact CD1-CD1 3.94Å; L490-L494 HydrophobicContact CD1-CD2 4.35Å; L490-L494 HydrophobicContact CD1-CG 3.84Å; L490-L494 HydrophobicContact CD2-CD1 4.41Å; L490-L494 HydrophobicContact CG-CD1 3.9Å; L490-L494 HydrophobicContact CG-CG 4.23Å; L490-L494 WeakPolarHBondContact O-CG 3.4Å; L490-L494 PolarHBondContact O-N 3.37Å; L490-L542 HydrophobicContact CB-CD2 3.81Å; L490-L542 HydrophobicContact CD1-CD2 4.37Å
491	R	96.3	Very high	96.1	Very high	152 Å²	152	48.6 Å²	48.6	57%	0.574	22%	0.217	S	C	*	.	H	α-helix	trans	-57	-47.8	179.6	-71.4	174.3	-175.9	176.5	1.8	111.1	S487 H488 L493 L494 D495	S487-R491 WeakPolarHBondContact O-CG 3.44Å; S487-R491 PolarHBondContact O-N 3.29Å; S487-R491 VanDerWaalsContact O-N 3.12Å; H488-R491 PolarHBondContact O-N 3.48Å; R491-L493 VanDerWaalsContact C-N 3.27Å; R491-L493 PolarHBondContact O-N 3.24Å; R491-L494 PolarHBondContact O-N 3.13Å; R491-D495 PolarHBondContact O-N 3.27Å
492	T	96.5	Very high	95.8	Very high	54 Å²	54	52 Å²	52	33%	0.331	24%	0.241	S	C	.	.	H	α-helix	trans	-57.4	-35.5	175.4	-54.4	0	0	0	0	113.4	H488 L490 S496 L579	H488-T492 PolarHBondContact O-N 3.3Å; H488-T492 PolarHBondContact O-OG1 3.23Å; L490-T492 VanDerWaalsContact C-N 3.33Å; L490-T492 PolarHBondContact O-N 2.93Å; T492-S496 WeakPolarHBondContact O-CB 3.39Å; T492-S496 PolarHBondContact O-N 2.77Å; T492-S496 PolarHBondContact O-OG 3.03Å; T492-L579 HydrophobicContact CG2-CD2 3.94Å
493	L	97.4	Very high	95.4	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-70.2	-43.9	173	174.4	65.1	0	0	0	112.1	E489 L490 R491 S496 L497 L540 L542 V569 T574 L579 I586	E489-L493 WeakPolarHBondContact O-CB 3.44Å; E489-L493 PolarHBondContact O-N 2.91Å; E489-L493 VanDerWaalsContact O-N 3.17Å; L490-L493 WeakPolarHBondContact O-CA 3.47Å; L490-L493 WeakPolarHBondContact O-CB 3.06Å; L490-L493 PolarHBondContact O-N 3.06Å; R491-L493 VanDerWaalsContact C-N 3.27Å; R491-L493 PolarHBondContact O-N 3.24Å; L493-S496 PolarHBondContact O-N 3.49Å; L493-L497 WeakPolarHBondContact O-CB 3.02Å; L493-L497 PolarHBondContact O-N 3.43Å; L493-L540 HydrophobicContact CD2-CD2 4.4Å; L493-L542 HydrophobicContact CD2-CD1 4.36Å; L493-V569 HydrophobicContact CD1-CG1 4.37Å; L493-V569 HydrophobicContact CD2-CB 4.11Å; L493-V569 HydrophobicContact CD2-CG1 3.87Å; L493-V569 HydrophobicContact CD2-CG2 4.19Å; L493-T574 HydrophobicContact CB-CG2 3.84Å; L493-T574 HydrophobicContact CD1-CG2 4.36Å; L493-T574 HydrophobicContact CD2-CG2 3.97Å; L493-T574 HydrophobicContact CG-CG2 4.27Å; L493-L579 HydrophobicContact CD1-CD1 4.19Å; L493-I586 HydrophobicContact CD1-CD1 4.22Å
494	L	97.4	Very high	95.2	Very high	4 Å²	4	54.1 Å²	54.1	2%	0.021	26%	0.263	C	S	.	.	H	α-helix	trans	-65.8	-46.1	180	-69.8	177.2	0	0	0	111.6	W478 V480 L490 R491 S496 L497 Y498 P511	W478-L494 HydrophobicContact CH2-CD2 3.65Å; W478-L494 HydrophobicContact CZ2-CD2 4.28Å; V480-L494 HydrophobicContact CG2-CD2 4.18Å; L490-L494 HydrophobicContact CD1-CD1 3.94Å; L490-L494 HydrophobicContact CD1-CD2 4.35Å; L490-L494 HydrophobicContact CD1-CG 3.84Å; L490-L494 HydrophobicContact CD2-CD1 4.41Å; L490-L494 HydrophobicContact CG-CD1 3.9Å; L490-L494 HydrophobicContact CG-CG 4.23Å; L490-L494 WeakPolarHBondContact O-CG 3.4Å; L490-L494 PolarHBondContact O-N 3.37Å; R491-L494 PolarHBondContact O-N 3.13Å; L494-S496 VanDerWaalsContact C-N 3.28Å; L494-S496 PolarHBondContact O-N 2.98Å; L494-L497 HydrophobicContact CD2-CD2 4.49Å; L494-L497 CarbonylContact O-C 3.49Å; L494-L497 WeakPolarHBondContact O-CA 3.3Å; L494-L497 WeakPolarHBondContact O-CB 3.42Å; L494-L497 PolarHBondContact O-N 3.26Å; L494-Y498 HydrophobicContact CB-CE2 3.83Å; L494-Y498 WeakPolarHBondContact O-CD2 3.39Å; L494-Y498 VanDerWaalsContact O-CG 3.23Å; L494-Y498 PolarHBondContact O-N 2.89Å; L494-P511 HydrophobicContact CD1-CG 4.13Å; L494-P511 HydrophobicContact CD2-CG 4.42Å
495	D	96.4	Very high	95.1	Very high	79 Å²	79	50 Å²	50	42%	0.422	25%	0.25	S	S	.	.	H	α-helix	trans	-57.7	-42.4	175.9	-66.7	-32.4	0	0	0	112	R491 L497 R499	R491-D495 PolarHBondContact O-N 3.27Å; D495-L497 VanDerWaalsContact C-N 3.34Å; D495-R499 WeakPolarHBondContact O-CD 3.4Å; D495-R499 VanDerWaalsContact O-CG 3.23Å; D495-R499 WeakPolarHBondContact O-CG 3.29Å; D495-R499 PolarHBondContact O-N 3.14Å
496	S	96.3	Very high	95.2	Very high	15 Å²	15	42.7 Å²	42.7	11%	0.105	22%	0.223	C	C	.	.	H	α-helix	trans	-65.5	-37.9	175.2	-59.2	0	0	0	0	112	T492 L493 L494 A500 L579 A583	T492-S496 WeakPolarHBondContact O-CB 3.39Å; T492-S496 PolarHBondContact O-N 2.77Å; T492-S496 PolarHBondContact O-OG 3.03Å; L493-S496 PolarHBondContact O-N 3.49Å; L494-S496 VanDerWaalsContact C-N 3.28Å; L494-S496 PolarHBondContact O-N 2.98Å; S496-A500 VanDerWaalsContact O-CB 3.24Å; S496-A500 WeakPolarHBondContact O-CB 3.38Å; S496-A500 PolarHBondContact O-N 2.98Å; S496-L579 VanDerWaalsContact OG-CD2 3.24Å; S496-L579 WeakPolarHBondContact OG-CD2 3.37Å; S496-A583 WeakPolarHBondContact O-CB 3.44Å
497	L	96.8	Very high	95.2	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-69.6	-45.7	178.4	-175.7	68.5	0	0	0	112	W478 L493 L494 D495 R499 A500 A501 I586 A587 L590	W478-L497 HydrophobicContact CH2-CD2 3.92Å; L493-L497 WeakPolarHBondContact O-CB 3.02Å; L493-L497 PolarHBondContact O-N 3.43Å; L494-L497 HydrophobicContact CD2-CD2 4.49Å; L494-L497 CarbonylContact O-C 3.49Å; L494-L497 WeakPolarHBondContact O-CA 3.3Å; L494-L497 WeakPolarHBondContact O-CB 3.42Å; L494-L497 PolarHBondContact O-N 3.26Å; D495-L497 VanDerWaalsContact C-N 3.34Å; L497-R499 PolarHBondContact O-N 2.96Å; L497-A500 PolarHBondContact O-N 2.87Å; L497-A501 WeakPolarHBondContact O-CB 3.39Å; L497-A501 PolarHBondContact O-N 3.38Å; L497-I586 HydrophobicContact CD1-CB 4.25Å; L497-I586 HydrophobicContact CD1-CG2 3.82Å; L497-A587 HydrophobicContact CD1-CB 3.95Å; L497-L590 HydrophobicContact CD1-CD1 4.17Å; L497-L590 HydrophobicContact CD2-CD1 4Å
498	Y	96.4	Very high	95.3	Very high	51 Å²	51	47.9 Å²	47.9	20%	0.2	24%	0.239	C	C	.	.	H	α-helix	trans	-59.4	-47.1	177.6	-57.9	-43.8	0	0	0	111.1	W478 L494 S502 V508 P511	W478-Y498 HydrophobicContact CZ2-CE1 4.31Å; L494-Y498 HydrophobicContact CB-CE2 3.83Å; L494-Y498 WeakPolarHBondContact O-CD2 3.39Å; L494-Y498 VanDerWaalsContact O-CG 3.23Å; L494-Y498 PolarHBondContact O-N 2.89Å; Y498-S502 VanDerWaalsContact O-CB 3.27Å; Y498-S502 WeakPolarHBondContact O-CB 3.35Å; Y498-S502 PolarHBondContact O-N 2.91Å; Y498-S502 PolarHBondContact O-OG 3.21Å; Y498-V508 HydrophobicContact CD1-CB 4.17Å; Y498-V508 HydrophobicContact CD1-CG1 3.93Å; Y498-V508 HydrophobicContact CE1-CG1 3.94Å; Y498-P511 WeakPolarHBondContact OH-CD 3.44Å
499	R	94.4	Very high	95.3	Very high	183 Å²	183	47.5 Å²	47.5	69%	0.691	23%	0.232	S	C	*	.	H	α-helix	trans	-61.2	-48.1	177.7	-69.1	171.5	-170.3	-154.5	2.7	111.6	D495 L497 G503 M580	D495-R499 WeakPolarHBondContact O-CD 3.4Å; D495-R499 VanDerWaalsContact O-CG 3.23Å; D495-R499 WeakPolarHBondContact O-CG 3.29Å; D495-R499 PolarHBondContact O-N 3.14Å; L497-R499 PolarHBondContact O-N 2.96Å; R499-G503 PolarHBondContact O-N 3.27Å; R499-M580 HydrophobicContact CB-CE 3.86Å; R499-M580 HydrophobicContact CB-SD 4.45Å
500	A	94.2	Very high	95.3	Very high	9 Å²	9	51 Å²	51	7%	0.074	26%	0.259	C	S	.	.	H	α-helix	trans	-69.8	-39.2	-178.3	0	0	0	0	0	113.4	S496 L497 M504 M580 A583	S496-A500 VanDerWaalsContact O-CB 3.24Å; S496-A500 WeakPolarHBondContact O-CB 3.38Å; S496-A500 PolarHBondContact O-N 2.98Å; L497-A500 PolarHBondContact O-N 2.87Å; A500-M504 WeakPolarHBondContact O-CE 3.32Å; A500-M580 HydrophobicContact CB-CE 4.04Å; A500-A583 HydrophobicContact CB-CB 3.99Å
501	A	95	Very high	95.3	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-68.4	-43.8	178.9	0	0	0	0	0	111.7	L497 G503 M504 G505 L506 V508 A587	L497-A501 WeakPolarHBondContact O-CB 3.39Å; L497-A501 PolarHBondContact O-N 3.38Å; A501-G503 PolarHBondContact O-N 2.77Å; A501-M504 CarbonylContact O-C 3.42Å; A501-M504 PolarHBondContact O-N 3.42Å; A501-M504 VanDerWaalsContact O-N 3.16Å; A501-G505 PolarHBondContact O-N 3.1Å; A501-L506 CarbonylContact C-O 3.09Å; A501-L506 VanDerWaalsContact C-O 3.22Å; A501-L506 HydrophobicContact CB-CB 4.16Å; A501-L506 HydrophobicContact CB-CD2 4.27Å; A501-L506 HydrophobicContact CB-CG 4.35Å; A501-L506 WeakPolarHBondContact CB-O 3.43Å; A501-L506 PolarHBondContact O-N 2.9Å; A501-V508 HydrophobicContact CB-CG2 3.62Å; A501-A587 HydrophobicContact CB-CB 3.82Å
502	S	92.1	Very high	95.3	Very high	71 Å²	71	48.8 Å²	48.8	50%	0.497	26%	0.257	S	S	.	.	H	α-helix	trans	-62.6	-41.9	-179	-57.5	0	0	0	0	112.5	Y498 M504 G505	Y498-S502 VanDerWaalsContact O-CB 3.27Å; Y498-S502 WeakPolarHBondContact O-CB 3.35Å; Y498-S502 PolarHBondContact O-N 2.91Å; Y498-S502 PolarHBondContact O-OG 3.21Å; S502-M504 VanDerWaalsContact C-N 3.27Å; S502-M504 PolarHBondContact O-N 3.39Å; S502-G505 PolarHBondContact O-N 2.92Å
503	G	89.4	Confident	95.3	Very high	45 Å²	45	50.3 Å²	50.3	46%	0.464	26%	0.26	S	S	.	.	H	α-helix	trans	-59.7	-36.5	175.3	0	0	0	0	0	113.1	R499 A501 G505	R499-G503 PolarHBondContact O-N 3.27Å; A501-G503 PolarHBondContact O-N 2.77Å; G503-G505 VanDerWaalsContact C-N 3.28Å; G503-G505 PolarHBondContact O-N 2.79Å
504	M	93.1	Very high	95.3	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.005	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	6.2	175.2	-64.4	-172.7	-61.3	0	0	114.3	F462 R466 M467 A500 A501 S502 L506 T584 A587 I588	F462-M504 HydrophobicContact CB-SD 4.17Å; F462-M504 HydrophobicContact CD1-SD 4.07Å; F462-M504 WeakPolarHBondContact O-CG 3.45Å; R466-M504 WeakPolarHBondContact CA-O 3.48Å; M467-M504 HydrophobicContact CE-CB 3.99Å; M467-M504 HydrophobicContact CE-CE 4.26Å; M467-M504 HydrophobicContact CG-CB 4.24Å; M467-M504 PolarHBondContact N-O 3.4Å; A500-M504 WeakPolarHBondContact O-CE 3.32Å; A501-M504 CarbonylContact O-C 3.42Å; A501-M504 PolarHBondContact O-N 3.42Å; A501-M504 VanDerWaalsContact O-N 3.16Å; S502-M504 VanDerWaalsContact C-N 3.27Å; S502-M504 PolarHBondContact O-N 3.39Å; M504-L506 PolarHBondContact O-N 2.97Å; M504-T584 HydrophobicContact CE-CG2 3.96Å; M504-T584 WeakPolarHBondContact CE-O 3.04Å; M504-T584 HydrophobicContact SD-CG2 3.54Å; M504-T584 VanDerWaalsContact SD-CG2 3.54Å; M504-A587 HydrophobicContact CE-CB 3.46Å; M504-A587 VanDerWaalsContact CE-CB 3.46Å; M504-I588 HydrophobicContact CE-CG1 3.91Å; M504-I588 HydrophobicContact SD-CD1 4Å; M504-I588 HydrophobicContact SD-CG1 3.66Å
505	G	93.7	Very high	95.2	Very high	26 Å²	26	55.2 Å²	55.2	27%	0.268	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.2	-2.1	179.6	0	0	0	0	0	115.9	A501 S502 G503 R507	A501-G505 PolarHBondContact O-N 3.1Å; S502-G505 PolarHBondContact O-N 2.92Å; G503-G505 VanDerWaalsContact C-N 3.28Å; G503-G505 PolarHBondContact O-N 2.79Å; G505-R507 PolarHBondContact O-N 3Å
506	L	95.8	Very high	95.3	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.268	C	S	.	.			trans	-82.3	98.9	174.3	178.6	66.4	0	0	0	109.7	M467 T470 P471 A501 M504 V508 N591	M467-L506 HydrophobicContact CE-CB 3.71Å; M467-L506 HydrophobicContact CE-CD2 4.38Å; T470-L506 HydrophobicContact CG2-CB 4.39Å; P471-L506 HydrophobicContact CG-CD1 3.96Å; A501-L506 CarbonylContact C-O 3.09Å; A501-L506 VanDerWaalsContact C-O 3.22Å; A501-L506 HydrophobicContact CB-CB 4.16Å; A501-L506 HydrophobicContact CB-CD2 4.27Å; A501-L506 HydrophobicContact CB-CG 4.35Å; A501-L506 WeakPolarHBondContact CB-O 3.43Å; A501-L506 PolarHBondContact O-N 2.9Å; M504-L506 PolarHBondContact O-N 2.97Å; L506-V508 HydrophobicContact CD2-CG2 4.14Å; L506-V508 HydrophobicContact CG-CG2 3.96Å; L506-V508 PolarHBondContact O-N 3.04Å; L506-N591 HydrophobicContact CD2-CB 4.33Å
507	R	95.6	Very high	95.1	Very high	127 Å²	127	61.4 Å²	61.4	48%	0.479	30%	0.302	S	S	.	.			trans	-62.2	122.1	169.7	-178	171.3	71.9	-153.1	2.4	109.5	S472 D473 G474 L475 G505	S472-R507 PolarHBondContact O-NH2 2.97Å; D473-R507 PolarHBondContact O-NE 3.32Å; D473-R507 VanDerWaalsContact O-NE 3.14Å; D473-R507 PolarHBondContact O-NH2 2.8Å; G474-R507 CarbonylContact C-O 3.49Å; G474-R507 WeakPolarHBondContact CA-O 3.45Å; L475-R507 PolarHBondContact N-O 2.63Å; G505-R507 PolarHBondContact O-N 3Å
508	V	96.1	Very high	94.9	Very high	17 Å²	17	63 Å²	63	10%	0.103	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-121.2	125.4	174.7	-178.8	0	0	0	0	108	L475 W478 Y498 A501 L506	L475-V508 HydrophobicContact CB-CG1 4.34Å; L475-V508 HydrophobicContact CB-CG2 4.19Å; L475-V508 HydrophobicContact CD2-CG1 4.35Å; W478-V508 HydrophobicContact CZ2-CG1 3.57Å; Y498-V508 HydrophobicContact CD1-CB 4.17Å; Y498-V508 HydrophobicContact CD1-CG1 3.93Å; Y498-V508 HydrophobicContact CE1-CG1 3.94Å; A501-V508 HydrophobicContact CB-CG2 3.62Å; L506-V508 HydrophobicContact CD2-CG2 4.14Å; L506-V508 HydrophobicContact CG-CG2 3.96Å; L506-V508 PolarHBondContact O-N 3.04Å
509	R	95.6	Very high	94.7	Very high	136 Å²	136	62.4 Å²	62.4	51%	0.513	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-88.2	169.7	172.8	-65.5	-171.8	175.3	161.5	-3.3	110.6	L475 W478	L475-R509 PolarHBondContact O-N 3.1Å; W478-R509 PolarHBondContact NE1-O 2.88Å
510	S	96.3	Very high	94.8	Very high	98 Å²	98	61.9 Å²	61.9	69%	0.685	31%	0.309	S	S	*	.	P	Polyproline II helix	trans	-59.4	136.6	172.2	-52.1	0	0	0	0	111.3
511	P	97.1	Very high	94.9	Very high	17 Å²	17	62.8 Å²	62.8	11%	0.11	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-78.1	164.9	176.9	31.3	-34.1	0	0	0	112.5	W478 V480 L494 Y498 E513	W478-P511 HydrophobicContact CD2-CB 3.83Å; W478-P511 HydrophobicContact CE3-CB 4.19Å; W478-P511 HydrophobicContact CG-CB 4.32Å; W478-P511 HydrophobicContact CH2-CB 4.23Å; W478-P511 HydrophobicContact CH2-CG 4.23Å; W478-P511 HydrophobicContact CZ2-CB 3.85Å; W478-P511 HydrophobicContact CZ2-CG 3.92Å; W478-P511 HydrophobicContact CZ3-CB 4.38Å; W478-P511 WeakPolarHBondContact O-CA 3.34Å; V480-P511 HydrophobicContact CB-CB 4.4Å; V480-P511 HydrophobicContact CB-CG 4.37Å; V480-P511 HydrophobicContact CG2-CB 3.69Å; V480-P511 HydrophobicContact CG2-CG 3.6Å; L494-P511 HydrophobicContact CD1-CG 4.13Å; L494-P511 HydrophobicContact CD2-CG 4.42Å; Y498-P511 WeakPolarHBondContact OH-CD 3.44Å; P511-E513 PolarHBondContact O-N 3.38Å
512	Q	96.8	Very high	94.9	Very high	90 Å²	90	64.8 Å²	64.8	42%	0.421	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	116.3	157.3	-168.6	175.9	7	0	0	109.3	W478 A479 V480 F514 S534	W478-Q512 PolarHBondContact O-N 3.25Å; A479-Q512 VanDerWaalsContact CA-O 3.29Å; A479-Q512 WeakPolarHBondContact CA-O 3.33Å; A479-Q512 HydrophobicContact CB-CB 4.16Å; A479-Q512 WeakPolarHBondContact CB-O 3.42Å; V480-Q512 PolarHBondContact N-O 2.76Å; Q512-F514 HydrophobicContact CB-CE2 4.21Å; Q512-F514 HydrophobicContact CG-CD2 4.13Å; Q512-F514 HydrophobicContact CG-CE2 3.57Å; Q512-F514 HydrophobicContact CG-CZ 4.26Å; Q512-S534 PolarHBondContact OE1-OG 3.19Å
513	E	95.9	Very high	95.1	Very high	87 Å²	87	62.2 Å²	62.2	41%	0.407	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	114.3	178.8	-69.2	-169.1	-170.3	0	0	111.7	P511 I515	P511-E513 PolarHBondContact O-N 3.38Å; E513-I515 HydrophobicContact CB-CD1 4.41Å
514	F	96.4	Very high	95.6	Very high	43 Å²	43	60.1 Å²	60.1	19%	0.189	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	90.3	170.3	-76.3	-93.8	0	0	0	109.6	A479 V480 I481 A482 Q512 D530 C531	A479-F514 HydrophobicContact CB-CD2 4.24Å; A479-F514 HydrophobicContact CB-CE2 4.29Å; V480-F514 PolarHBondContact O-N 3.11Å; I481-F514 WeakPolarHBondContact CA-O 3.42Å; I481-F514 HydrophobicContact CG1-CB 3.97Å; A482-F514 PolarHBondContact N-O 2.79Å; Q512-F514 HydrophobicContact CB-CE2 4.21Å; Q512-F514 HydrophobicContact CG-CD2 4.13Å; Q512-F514 HydrophobicContact CG-CE2 3.57Å; Q512-F514 HydrophobicContact CG-CZ 4.26Å; F514-D530 HydrophobicContact CE1-CB 4.49Å; F514-C531 HydrophobicContact CD2-CB 3.92Å; F514-C531 HydrophobicContact CE1-CB 4.17Å; F514-C531 HydrophobicContact CE2-CB 3.49Å; F514-C531 VanDerWaalsContact CE2-CB 3.49Å; F514-C531 VanDerWaalsContact CE2-SG 3.59Å; F514-C531 HydrophobicContact CG-CB 4.42Å; F514-C531 VanDerWaalsContact CZ-CA 3.48Å; F514-C531 HydrophobicContact CZ-CB 3.65Å
515	I	96.9	Very high	95.7	Very high	64 Å²	64	61 Å²	61	33%	0.328	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	121.7	177.7	-55.8	-55.3	0	0	0	109.9	A482 Q484 E513	A482-I515 WeakPolarHBondContact O-CA 3.4Å; Q484-I515 VanDerWaalsContact CA-CG2 3.48Å; Q484-I515 HydrophobicContact CB-CG2 3.61Å; Q484-I515 HydrophobicContact CG-CG2 4Å; E513-I515 HydrophobicContact CB-CD1 4.41Å
516	I	96.6	Very high	95.9	Very high	16 Å²	16	67.4 Å²	67.4	8%	0.082	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	144.7	-179.4	58.3	175.4	0	0	0	111.8	I481 A482 P483 Q484 D518 Y524 A527	I481-I516 HydrophobicContact CG2-CD1 4.04Å; I481-I516 HydrophobicContact CG2-CG1 4.48Å; I481-I516 HydrophobicContact CG2-CG2 4.28Å; A482-I516 PolarHBondContact O-N 3.12Å; P483-I516 CarbonylContact C-O 3.52Å; P483-I516 VanDerWaalsContact CA-O 3.26Å; P483-I516 WeakPolarHBondContact CA-O 3.47Å; P483-I516 HydrophobicContact CG-CG1 4.49Å; Q484-I516 PolarHBondContact N-O 2.91Å; I516-D518 VanDerWaalsContact CD1-O 3.25Å; I516-D518 WeakPolarHBondContact CD1-O 3.2Å; I516-D518 WeakPolarHBondContact CG1-O 3.47Å; I516-Y524 HydrophobicContact CD1-CD1 4.04Å; I516-Y524 HydrophobicContact CD1-CD2 3.83Å; I516-Y524 HydrophobicContact CD1-CE1 4.01Å; I516-Y524 HydrophobicContact CD1-CE2 3.79Å; I516-Y524 HydrophobicContact CD1-CG 3.96Å; I516-A527 HydrophobicContact CG2-CB 3.79Å
517	Y	93.5	Very high	96	Very high	209 Å²	209	67.8 Å²	67.8	82%	0.82	32%	0.318	S	S	*	.	S	Bend	trans	-72	-31.1	-175.8	-60.5	-67.9	0	0	0	114.1
518	D	92.4	Very high	96	Very high	34 Å²	34	61.9 Å²	61.9	18%	0.182	30%	0.296	C	S	.	.			trans	-131	175.2	178.4	73.8	46.7	0	0	0	112.1	I516 R520 T523	I516-D518 VanDerWaalsContact CD1-O 3.25Å; I516-D518 WeakPolarHBondContact CD1-O 3.2Å; I516-D518 WeakPolarHBondContact CG1-O 3.47Å; D518-R520 VanDerWaalsContact OD1-CB 3.27Å; D518-R520 WeakPolarHBondContact OD1-CB 3.37Å; D518-R520 PolarHBondContact OD1-N 2.83Å; D518-R520 IonicContact OD1-NE 3.68Å; D518-R520 IonicContact OD2-CZ 3.18Å; D518-R520 IonicContact OD2-NE 2.77Å; D518-R520 PolarHBondContact OD2-NE 3.4Å; D518-R520 IonicContact OD2-NH2 3.09Å; D518-R520 PolarHBondContact OD2-NH2 2.92Å; D518-T523 PolarHBondContact O-OG1 2.72Å; D518-T523 WeakPolarHBondContact OD1-CB 3.49Å; D518-T523 WeakPolarHBondContact OD1-CG2 3.25Å; D518-T523 PolarHBondContact OD1-OG1 3.12Å
519	D	92.5	Very high	96	Very high	38 Å²	38	63.1 Å²	63.1	20%	0.203	30%	0.301	C	S	.	.			trans	-108.1	19.3	-179.6	67.8	-14.6	0	0	0	114.2	P483 R485 Y524 P544 R550	P483-D519 HydrophobicContact CG-CB 4.1Å; R485-D519 IonicContact CZ-OD2 3.27Å; R485-D519 IonicContact NH1-OD2 3.79Å; R485-D519 IonicContact NH2-OD2 2.92Å; R485-D519 PolarHBondContact NH2-OD2 3.28Å; D519-Y524 HydrophobicContact CB-CE2 4.25Å; D519-P544 HydrophobicContact CB-CG 3.84Å; D519-P544 WeakPolarHBondContact OD2-CG 3.39Å; D519-R550 PolarHBondContact O-NE 2.85Å; D519-R550 PolarHBondContact O-NH2 2.79Å; D519-R550 IonicContact OD2-NH2 3.82Å; D519-R550 PolarHBondContact OD2-NH2 3.47Å
520	R	95.1	Very high	95.9	Very high	172 Å²	172	60 Å²	60	65%	0.649	30%	0.295	S	S	*	.			trans	-66.5	150.4	179	-68.2	-174.6	-90.3	-150.9	-10.2	111.3	D518 G522 T523 Y524	D518-R520 VanDerWaalsContact OD1-CB 3.27Å; D518-R520 WeakPolarHBondContact OD1-CB 3.37Å; D518-R520 PolarHBondContact OD1-N 2.83Å; D518-R520 IonicContact OD1-NE 3.68Å; D518-R520 IonicContact OD2-CZ 3.18Å; D518-R520 IonicContact OD2-NE 2.77Å; D518-R520 PolarHBondContact OD2-NE 3.4Å; D518-R520 IonicContact OD2-NH2 3.09Å; D518-R520 PolarHBondContact OD2-NH2 2.92Å; R520-G522 PolarHBondContact O-N 3.27Å; R520-T523 PolarHBondContact N-OG1 3.06Å; R520-T523 PolarHBondContact O-N 3.4Å; R520-T523 VanDerWaalsContact O-N 3.14Å; R520-T523 PolarHBondContact O-OG1 3.06Å; R520-Y524 WeakPolarHBondContact O-CD2 3.47Å
521	T	96.1	Very high	95.8	Very high	28 Å²	28	55.4 Å²	55.4	17%	0.172	26%	0.263	C	S	.	.	H	α-helix	trans	-54.2	-40.7	178.8	-54.9	0	0	0	0	112	T523 V525 E549 S553	T521-T523 PolarHBondContact O-N 3.1Å; T521-V525 WeakPolarHBondContact O-CG2 3.48Å; T521-V525 PolarHBondContact O-N 2.76Å; T521-E549 WeakPolarHBondContact CB-OE1 3.16Å; T521-E549 PolarHBondContact OG1-OE1 2.99Å; T521-S553 VanDerWaalsContact CG2-OG 3.32Å; T521-S553 WeakPolarHBondContact CG2-OG 3.24Å
522	G	96.6	Very high	95.6	Very high	41 Å²	41	55.8 Å²	55.8	42%	0.423	27%	0.265	S	S	.	.	H	α-helix	trans	-73.5	-12.5	-179.5	0	0	0	0	0	117	R520 R526	R520-G522 PolarHBondContact O-N 3.27Å; G522-R526 WeakPolarHBondContact O-CG 3.46Å; G522-R526 PolarHBondContact O-N 2.82Å; G522-R526 PolarHBondContact O-NE 3.18Å
523	T	96.8	Very high	95.4	Very high	18 Å²	18	60.8 Å²	60.8	11%	0.11	28%	0.28	C	S	.	.	H	α-helix	trans	-85.6	-42.8	172.5	39.1	0	0	0	0	111.2	D518 R520 T521 V525 R526 A527	D518-T523 PolarHBondContact O-OG1 2.72Å; D518-T523 WeakPolarHBondContact OD1-CB 3.49Å; D518-T523 WeakPolarHBondContact OD1-CG2 3.25Å; D518-T523 PolarHBondContact OD1-OG1 3.12Å; R520-T523 PolarHBondContact N-OG1 3.06Å; R520-T523 PolarHBondContact O-N 3.4Å; R520-T523 VanDerWaalsContact O-N 3.14Å; R520-T523 PolarHBondContact O-OG1 3.06Å; T521-T523 PolarHBondContact O-N 3.1Å; T523-V525 VanDerWaalsContact C-N 3.3Å; T523-V525 PolarHBondContact O-N 2.98Å; T523-R526 PolarHBondContact O-N 2.94Å; T523-A527 WeakPolarHBondContact O-CB 3.46Å; T523-A527 PolarHBondContact O-N 2.71Å
524	Y	97.9	Very high	95.3	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-57.5	-42.8	169.5	-73.4	-90.5	0	0	0	112.1	I481 P483 I516 D519 R520 A527 M528 C541 L542 V543 P544 R550 I554	I481-Y524 HydrophobicContact CB-CD1 4.47Å; I481-Y524 HydrophobicContact CG2-CD1 3.7Å; I481-Y524 HydrophobicContact CG2-CE1 4.13Å; P483-Y524 WeakPolarHBondContact CD-OH 3.22Å; P483-Y524 VanDerWaalsContact CG-OH 3.31Å; P483-Y524 WeakPolarHBondContact CG-OH 3.5Å; I516-Y524 HydrophobicContact CD1-CD1 4.04Å; I516-Y524 HydrophobicContact CD1-CD2 3.83Å; I516-Y524 HydrophobicContact CD1-CE1 4.01Å; I516-Y524 HydrophobicContact CD1-CE2 3.79Å; I516-Y524 HydrophobicContact CD1-CG 3.96Å; D519-Y524 HydrophobicContact CB-CE2 4.25Å; R520-Y524 WeakPolarHBondContact O-CD2 3.47Å; Y524-A527 PolarHBondContact O-N 3.14Å; Y524-M528 WeakPolarHBondContact O-CB 3.45Å; Y524-M528 VanDerWaalsContact O-CG 3.31Å; Y524-M528 WeakPolarHBondContact O-CG 3.26Å; Y524-M528 PolarHBondContact O-N 2.97Å; Y524-C541 HydrophobicContact CD1-CB 4.26Å; Y524-C541 HydrophobicContact CE1-CB 4.3Å; Y524-L542 PolarHBondContact OH-O 3.09Å; Y524-L542 VanDerWaalsContact OH-O 3.06Å; Y524-V543 HydrophobicContact CE1-CG1 4.1Å; Y524-P544 WeakPolarHBondContact OH-CD 3.49Å; Y524-R550 HydrophobicContact CD2-CG 4.24Å; Y524-I554 HydrophobicContact CD1-CD1 3.94Å; Y524-I554 HydrophobicContact CG-CD1 4.05Å
525	V	97.2	Very high	95.2	Very high	21 Å²	21	61.5 Å²	61.5	13%	0.127	29%	0.291	C	S	.	.	H	α-helix	trans	-63	-48.3	-179.7	168.1	0	0	0	0	111.7	T521 T523 M528 D529 R557	T521-V525 WeakPolarHBondContact O-CG2 3.48Å; T521-V525 PolarHBondContact O-N 2.76Å; T523-V525 VanDerWaalsContact C-N 3.3Å; T523-V525 PolarHBondContact O-N 2.98Å; V525-M528 WeakPolarHBondContact O-CB 3.45Å; V525-M528 PolarHBondContact O-N 3.06Å; V525-D529 PolarHBondContact O-N 2.66Å; V525-R557 HydrophobicContact CG1-CG 3.88Å; V525-R557 HydrophobicContact CG2-CG 4.04Å
526	R	96.8	Very high	95.2	Very high	159 Å²	159	58.7 Å²	58.7	60%	0.6	28%	0.277	S	S	*	.	H	α-helix	trans	-62	-47.2	176.5	-74.6	-178.6	-69.8	163.6	-0.2	112	G522 T523 M528 D529 D530	G522-R526 WeakPolarHBondContact O-CG 3.46Å; G522-R526 PolarHBondContact O-N 2.82Å; G522-R526 PolarHBondContact O-NE 3.18Å; T523-R526 PolarHBondContact O-N 2.94Å; R526-M528 PolarHBondContact O-N 2.99Å; R526-D529 PolarHBondContact O-N 2.94Å; R526-D530 PolarHBondContact O-N 2.99Å
527	A	97.1	Very high	95.2	Very high	8 Å²	8	61 Å²	61	7%	0.066	29%	0.287	C	S	.	.	H	α-helix	trans	-59.4	-31.8	176	0	0	0	0	0	112.8	I481 I516 T523 Y524 C531	I481-A527 HydrophobicContact CD1-CB 4.06Å; I481-A527 HydrophobicContact CG1-CB 4.32Å; I481-A527 HydrophobicContact CG2-CB 3.94Å; I516-A527 HydrophobicContact CG2-CB 3.79Å; T523-A527 WeakPolarHBondContact O-CB 3.46Å; T523-A527 PolarHBondContact O-N 2.71Å; Y524-A527 PolarHBondContact O-N 3.14Å; A527-C531 WeakPolarHBondContact O-CB 3.48Å; A527-C531 PolarHBondContact O-N 2.9Å
528	M	97.1	Very high	95.5	Very high	4 Å²	4	51 Å²	51	2%	0.02	25%	0.248	C	C	.	.	H	α-helix	trans	-68.9	-47.7	170.5	-75.3	-178.9	66.7	0	0	112.2	I481 Y524 V525 R526 D530 C531 V532 I554 R557 T566	I481-M528 HydrophobicContact CD1-CB 4.22Å; I481-M528 HydrophobicContact CD1-CG 3.36Å; Y524-M528 WeakPolarHBondContact O-CB 3.45Å; Y524-M528 VanDerWaalsContact O-CG 3.31Å; Y524-M528 WeakPolarHBondContact O-CG 3.26Å; Y524-M528 PolarHBondContact O-N 2.97Å; V525-M528 WeakPolarHBondContact O-CB 3.45Å; V525-M528 PolarHBondContact O-N 3.06Å; R526-M528 PolarHBondContact O-N 2.99Å; M528-D530 VanDerWaalsContact C-N 3.3Å; M528-D530 PolarHBondContact O-N 3.05Å; M528-C531 PolarHBondContact O-N 3.02Å; M528-V532 VanDerWaalsContact O-CG2 3.25Å; M528-V532 WeakPolarHBondContact O-CG2 3.4Å; M528-V532 PolarHBondContact O-N 2.83Å; M528-I554 HydrophobicContact CE-CG2 4.49Å; M528-I554 WeakPolarHBondContact CE-O 3.4Å; M528-I554 HydrophobicContact SD-CB 4.21Å; M528-I554 HydrophobicContact SD-CG1 4.2Å; M528-I554 HydrophobicContact SD-CG2 3.87Å; M528-R557 HydrophobicContact CE-CB 4.21Å; M528-T566 HydrophobicContact CE-CG2 3.85Å
529	D	95.4	Very high	95.7	Very high	42 Å²	42	49.4 Å²	49.4	23%	0.225	24%	0.239	C	C	.	.	H	α-helix	trans	-64.3	-32.9	179.8	-80	-54	0	0	0	112.8	V525 R526 R562	V525-D529 PolarHBondContact O-N 2.66Å; R526-D529 PolarHBondContact O-N 2.94Å; D529-R562 IonicContact OD1-CZ 2.72Å; D529-R562 IonicContact OD1-NE 2.79Å; D529-R562 PolarHBondContact OD1-NE 2.9Å; D529-R562 IonicContact OD1-NH2 3.44Å; D529-R562 PolarHBondContact OD1-NH2 3.41Å
530	D	94.6	Very high	96	Very high	72 Å²	72	47.6 Å²	47.6	39%	0.385	23%	0.229	S	C	.	.	H	α-helix	trans	-74.3	-40.6	172.6	-63.8	-36.2	0	0	0	112.2	F514 R526 M528 R533	F514-D530 HydrophobicContact CE1-CB 4.49Å; R526-D530 PolarHBondContact O-N 2.99Å; M528-D530 VanDerWaalsContact C-N 3.3Å; M528-D530 PolarHBondContact O-N 3.05Å; D530-R533 WeakPolarHBondContact O-CB 3.28Å; D530-R533 VanDerWaalsContact O-CG 3.32Å; D530-R533 WeakPolarHBondContact O-CG 3.4Å; D530-R533 PolarHBondContact O-N 2.89Å; D530-R533 IonicContact OD1-CZ 3.67Å; D530-R533 IonicContact OD1-NE 2.73Å; D530-R533 IonicContact OD1-NH2 3.76Å; D530-R533 PolarHBondContact OD1-NH2 3.31Å
531	C	93.6	Very high	96.2	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-66.3	-35	177.1	174	0	0	0	0	113.7	A479 F514 A527 M528 R533 S534 P536 I539	A479-C531 WeakPolarHBondContact CB-SG 3.15Å; F514-C531 HydrophobicContact CD2-CB 3.92Å; F514-C531 HydrophobicContact CE1-CB 4.17Å; F514-C531 HydrophobicContact CE2-CB 3.49Å; F514-C531 VanDerWaalsContact CE2-CB 3.49Å; F514-C531 VanDerWaalsContact CE2-SG 3.59Å; F514-C531 HydrophobicContact CG-CB 4.42Å; F514-C531 VanDerWaalsContact CZ-CA 3.48Å; F514-C531 HydrophobicContact CZ-CB 3.65Å; A527-C531 WeakPolarHBondContact O-CB 3.48Å; A527-C531 PolarHBondContact O-N 2.9Å; M528-C531 PolarHBondContact O-N 3.02Å; C531-R533 PolarHBondContact O-N 3.3Å; C531-R533 VanDerWaalsContact O-N 3.09Å; C531-S534 PolarHBondContact O-N 2.9Å; C531-S534 VanDerWaalsContact O-N 3.11Å; C531-S534 PolarHBondContact O-OG 2.77Å; C531-S534 VanDerWaalsContact O-OG 3.08Å; C531-P536 WeakPolarHBondContact O-CD 3.26Å; C531-I539 HydrophobicContact CB-CD1 4.41Å
532	V	93.5	Very high	96.3	Very high	25 Å²	25	38.1 Å²	38.1	15%	0.152	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-61.1	-22.4	178.7	169	0	0	0	0	112.1	M528 S534 D535 I539 R562 V564	M528-V532 VanDerWaalsContact O-CG2 3.25Å; M528-V532 WeakPolarHBondContact O-CG2 3.4Å; M528-V532 PolarHBondContact O-N 2.83Å; V532-S534 PolarHBondContact O-N 2.87Å; V532-S534 VanDerWaalsContact O-N 3.15Å; V532-D535 PolarHBondContact O-N 2.79Å; V532-I539 HydrophobicContact CG2-CD1 4.12Å; V532-R562 HydrophobicContact CG2-CG 4.34Å; V532-V564 HydrophobicContact CG2-CG2 4.08Å
533	R	92.1	Very high	96.3	Very high	196 Å²	196	36.6 Å²	36.6	74%	0.74	17%	0.173	S	C	*	.	G	3₁₀ helix	trans	-64	-15	176.3	-51.1	-178.5	-159.4	-167	10.8	114.4	D530 C531	D530-R533 WeakPolarHBondContact O-CB 3.28Å; D530-R533 VanDerWaalsContact O-CG 3.32Å; D530-R533 WeakPolarHBondContact O-CG 3.4Å; D530-R533 PolarHBondContact O-N 2.89Å; D530-R533 IonicContact OD1-CZ 3.67Å; D530-R533 IonicContact OD1-NE 2.73Å; D530-R533 IonicContact OD1-NH2 3.76Å; D530-R533 PolarHBondContact OD1-NH2 3.31Å; C531-R533 PolarHBondContact O-N 3.3Å; C531-R533 VanDerWaalsContact O-N 3.09Å
534	S	92.5	Very high	96.2	Very high	38 Å²	38	36.9 Å²	36.9	27%	0.266	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-97.1	12.4	171.9	66.3	0	0	0	0	113.6	R477 Q512 C531 V532	R477-S534 WeakPolarHBondContact CD-O 3.27Å; R477-S534 PolarHBondContact NE-O 2.87Å; Q512-S534 PolarHBondContact OE1-OG 3.19Å; C531-S534 PolarHBondContact O-N 2.9Å; C531-S534 VanDerWaalsContact O-N 3.11Å; C531-S534 PolarHBondContact O-OG 2.77Å; C531-S534 VanDerWaalsContact O-OG 3.08Å; V532-S534 PolarHBondContact O-N 2.87Å; V532-S534 VanDerWaalsContact O-N 3.15Å
535	D	95.3	Very high	96	Very high	106 Å²	106	41 Å²	41	57%	0.567	20%	0.197	S	C	*	.			trans	44.2	54.1	-177.8	-73.5	-31.2	0	0	0	114.2	R477 V532 K537	R477-D535 VanDerWaalsContact CZ-O 3.23Å; R477-D535 PolarHBondContact NE-O 3.47Å; R477-D535 PolarHBondContact NH2-O 2.65Å; V532-D535 PolarHBondContact O-N 2.79Å; D535-K537 PolarHBondContact O-N 3.27Å
536	P	96.9	Very high	95.7	Very high	6 Å²	6	47.2 Å²	47.2	4%	0.039	23%	0.23	C	C	.	.			trans	-64.8	132.2	-178.2	27.7	-35.7	0	0	0	111.7	A479 C531 L538 I539 V564	A479-P536 HydrophobicContact CB-CB 4.49Å; C531-P536 WeakPolarHBondContact O-CD 3.26Å; P536-L538 PolarHBondContact O-N 3.31Å; P536-I539 HydrophobicContact CB-CG1 4.18Å; P536-I539 HydrophobicContact CG-CD1 3.91Å; P536-I539 HydrophobicContact CG-CG1 3.73Å; P536-V564 HydrophobicContact CG-CG1 4.35Å
537	K	97	Very high	95.6	Very high	63 Å²	63	42.1 Å²	42.1	27%	0.274	21%	0.214	S	C	.	.	S	Bend	trans	-62.3	-24	174.2	-63.5	-174.9	-175.9	165.1	0	111.8	D473 L475 D476 R477 D535 L594	D473-K537 IonicContact OD2-NZ 2.68Å; D473-K537 PolarHBondContact OD2-NZ 3.16Å; L475-K537 HydrophobicContact CD1-CB 4.16Å; D476-K537 VanDerWaalsContact OD1-CD 3.22Å; D476-K537 WeakPolarHBondContact OD1-CD 3.41Å; D476-K537 WeakPolarHBondContact OD1-CE 3.47Å; D476-K537 IonicContact OD1-NZ 3.35Å; D476-K537 PolarHBondContact OD1-NZ 3.07Å; D476-K537 IonicContact OD2-NZ 2.78Å; D476-K537 PolarHBondContact OD2-NZ 3.33Å; R477-K537 WeakPolarHBondContact O-CB 3.45Å; R477-K537 PolarHBondContact O-N 3.45Å; D535-K537 PolarHBondContact O-N 3.27Å; K537-L594 HydrophobicContact CB-CD2 3.89Å
538	L	98.3	Very high	95.3	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.236	C	C	.	.			trans	-157.6	150.4	174.5	-172.3	135.9	0	0	0	111.7	L475 W478 A479 P536 L540 P565 Q567 L590 K593 L594	L475-L538 HydrophobicContact CD1-CB 4.2Å; W478-L538 WeakPolarHBondContact CA-O 3.28Å; W478-L538 WeakPolarHBondContact CB-O 3.17Å; W478-L538 HydrophobicContact CE3-CD2 4.21Å; A479-L538 PolarHBondContact N-O 3.08Å; A479-L538 VanDerWaalsContact N-O 3.12Å; P536-L538 PolarHBondContact O-N 3.31Å; L538-L540 HydrophobicContact CD2-CB 4.4Å; L538-P565 WeakPolarHBondContact CA-O 3.43Å; L538-P565 HydrophobicContact CD1-CB 4.3Å; L538-Q567 HydrophobicContact CD2-CB 4.28Å; L538-L590 HydrophobicContact CD1-CB 4.47Å; L538-L590 HydrophobicContact CD1-CD2 3.72Å; L538-L590 HydrophobicContact CD2-CD2 3.85Å; L538-L590 HydrophobicContact CG-CD2 4.46Å; L538-K593 HydrophobicContact CD1-CB 3.9Å; L538-K593 HydrophobicContact CD1-CD 4.32Å; L538-L594 HydrophobicContact CB-CD2 4.42Å
539	I	98.6	Very high	95.1	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	132.5	169.2	-58.9	171.1	0	0	0	110.2	A479 I481 C531 V532 P536 V564 P565 T566 Q567	A479-I539 HydrophobicContact CB-CG1 4.5Å; A479-I539 CarbonylContact O-C 3.54Å; A479-I539 WeakPolarHBondContact O-CA 3.37Å; I481-I539 HydrophobicContact CD1-CG2 3.78Å; I481-I539 HydrophobicContact CG1-CG2 4.11Å; C531-I539 HydrophobicContact CB-CD1 4.41Å; V532-I539 HydrophobicContact CG2-CD1 4.12Å; P536-I539 HydrophobicContact CB-CG1 4.18Å; P536-I539 HydrophobicContact CG-CD1 3.91Å; P536-I539 HydrophobicContact CG-CG1 3.73Å; I539-V564 HydrophobicContact CD1-CG1 3.88Å; I539-V564 HydrophobicContact CG1-CG1 3.88Å; I539-P565 PolarHBondContact N-O 3.02Å; I539-T566 HydrophobicContact CB-CG2 4.35Å; I539-T566 CarbonylContact O-C 3.54Å; I539-T566 VanDerWaalsContact O-CA 3.24Å; I539-T566 WeakPolarHBondContact O-CA 3.3Å; I539-Q567 PolarHBondContact O-N 3Å
540	L	98.6	Very high	95.1	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.005	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	120.8	174.9	-175.3	155.5	0	0	0	111.1	W478 A479 V480 I481 L493 L538 Q567 V569	W478-L540 HydrophobicContact CZ3-CB 4.01Å; W478-L540 HydrophobicContact CZ3-CD1 4.28Å; A479-L540 PolarHBondContact O-N 3.22Å; V480-L540 CarbonylContact C-O 3.57Å; V480-L540 VanDerWaalsContact CA-O 3.27Å; V480-L540 WeakPolarHBondContact CA-O 3.49Å; V480-L540 HydrophobicContact CG1-CD2 4.35Å; V480-L540 HydrophobicContact CG2-CB 4.31Å; I481-L540 PolarHBondContact N-O 3.24Å; L493-L540 HydrophobicContact CD2-CD2 4.4Å; L538-L540 HydrophobicContact CD2-CB 4.4Å; L540-Q567 WeakPolarHBondContact CA-O 3.3Å; L540-Q567 HydrophobicContact CB-CB 4.18Å; L540-Q567 HydrophobicContact CD1-CB 4.22Å; L540-Q567 HydrophobicContact CD1-CG 4.03Å; L540-Q567 HydrophobicContact CG-CB 4.01Å; L540-Q567 HydrophobicContact CG-CG 4.14Å; L540-V569 HydrophobicContact CD1-CG2 4.29Å; L540-V569 HydrophobicContact CD2-CG2 4.35Å; L540-V569 HydrophobicContact CG-CG2 4.38Å
541	C	98.4	Very high	95.2	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	118.8	176.3	-56.6	0	0	0	0	110.9	I481 Y524 V543 I554 Q567 V568 V569	I481-C541 WeakPolarHBondContact O-CA 3.34Å; Y524-C541 HydrophobicContact CD1-CB 4.26Å; Y524-C541 HydrophobicContact CE1-CB 4.3Å; C541-V543 HydrophobicContact CB-CG1 4.44Å; C541-I554 HydrophobicContact CB-CD1 4.09Å; C541-Q567 PolarHBondContact N-O 2.88Å; C541-V568 WeakPolarHBondContact O-CA 3.37Å; C541-V569 PolarHBondContact O-N 3.31Å
542	L	98.3	Very high	95.4	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.005	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	105.1	172	177.7	62.4	0	0	0	109.4	I481 A482 P483 N486 L490 L493 Y524 V569 T574	I481-L542 PolarHBondContact O-N 3.5Å; A482-L542 HydrophobicContact CB-CB 4.02Å; A482-L542 HydrophobicContact CB-CD2 4.34Å; P483-L542 WeakPolarHBondContact CD-O 3.49Å; N486-L542 HydrophobicContact CB-CD2 4.36Å; L490-L542 HydrophobicContact CB-CD2 3.81Å; L490-L542 HydrophobicContact CD1-CD2 4.37Å; L493-L542 HydrophobicContact CD2-CD1 4.36Å; Y524-L542 PolarHBondContact OH-O 3.09Å; Y524-L542 VanDerWaalsContact OH-O 3.06Å; L542-V569 WeakPolarHBondContact CA-O 3.36Å; L542-V569 HydrophobicContact CD1-CB 4.38Å; L542-V569 HydrophobicContact CD1-CG1 4.38Å; L542-T574 HydrophobicContact CD1-CG2 3.84Å
543	V	97.3	Very high	95.6	Very high	8 Å²	8	49.9 Å²	49.9	5%	0.048	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	140.6	-175.8	-60.4	0	0	0	0	112.2	Y524 C541 N545 I554 V568 V569 T570 L571	Y524-V543 HydrophobicContact CE1-CG1 4.1Å; C541-V543 HydrophobicContact CB-CG1 4.44Å; V543-N545 PolarHBondContact O-N 3.5Å; V543-I554 HydrophobicContact CG1-CD1 4.1Å; V543-V568 HydrophobicContact CB-CG1 4.45Å; V543-V568 HydrophobicContact CG1-CG1 3.98Å; V543-V568 HydrophobicContact CG2-CG1 3.61Å; V543-V569 PolarHBondContact N-O 2.81Å; V543-T570 HydrophobicContact CG2-CG2 4.08Å; V543-T570 CarbonylContact O-C 3.58Å; V543-T570 WeakPolarHBondContact O-CA 3.16Å; V543-L571 PolarHBondContact O-N 3.2Å
544	P	94.7	Very high	95.9	Very high	24 Å²	24	40.6 Å²	40.6	16%	0.156	22%	0.223	C	C	.	.	S	Bend	trans	-72.2	-31.6	-172.9	24.9	-32.3	0	0	0	113.9	D519 Y524 L571	D519-P544 HydrophobicContact CB-CG 3.84Å; D519-P544 WeakPolarHBondContact OD2-CG 3.39Å; Y524-P544 WeakPolarHBondContact OH-CD 3.49Å; P544-L571 HydrophobicContact CB-CD2 4.5Å
545	N	93.3	Very high	96.2	Very high	87 Å²	87	39 Å²	39	47%	0.465	21%	0.212	S	C	.	.	S	Bend	trans	-145.1	166.9	-177.5	60.6	-1	0	0	0	112	V543 N547 R550	V543-N545 PolarHBondContact O-N 3.5Å; N545-N547 PolarHBondContact O-N 2.91Å; N545-R550 PolarHBondContact OD1-NH1 2.72Å
546	D	91.6	Very high	96.3	Very high	152 Å²	152	37 Å²	37	81%	0.813	20%	0.198	S	C	*	.			trans	-78.9	62.6	-179.6	-160.8	4.6	0	0	0	111.3
547	N	93.2	Very high	96.3	Very high	52 Å²	52	40.9 Å²	40.9	28%	0.278	21%	0.212	S	C	.	.			trans	-89.5	110.6	178.3	179.9	-29.2	0	0	0	110	N545 E549 R550 Y551	N545-N547 PolarHBondContact O-N 2.91Å; N547-E549 PolarHBondContact O-N 3.27Å; N547-E549 WeakPolarHBondContact OD1-CA 3.36Å; N547-E549 WeakPolarHBondContact OD1-CB 3.36Å; N547-E549 PolarHBondContact OD1-N 3.38Å; N547-R550 HydrophobicContact CB-CB 4.17Å; N547-R550 PolarHBondContact O-N 3.4Å; N547-R550 PolarHBondContact OD1-N 3.05Å; N547-R550 VanDerWaalsContact OD1-N 3.09Å; N547-Y551 WeakPolarHBondContact O-CB 3.14Å; N547-Y551 PolarHBondContact O-N 2.91Å
548	A	90.5	Very high	96.3	Very high	64 Å²	64	38 Å²	38	53%	0.529	20%	0.199	S	C	.	.	H	α-helix	trans	-64.9	-31.4	-178.9	0	0	0	0	0	114.2	S552	A548-S552 VanDerWaalsContact O-CB 3.24Å; A548-S552 WeakPolarHBondContact O-CB 3.27Å; A548-S552 PolarHBondContact O-N 2.9Å; A548-S552 PolarHBondContact O-OG 2.85Å
549	E	92.6	Very high	96.3	Very high	118 Å²	118	38 Å²	38	55%	0.551	20%	0.199	S	C	*	.	H	α-helix	trans	-69	-48.3	177.1	-176.7	-139.5	112.9	0	0	110.5	T521 N547 Y551 S552 S553	T521-E549 WeakPolarHBondContact CB-OE1 3.16Å; T521-E549 PolarHBondContact OG1-OE1 2.99Å; N547-E549 PolarHBondContact O-N 3.27Å; N547-E549 WeakPolarHBondContact OD1-CA 3.36Å; N547-E549 WeakPolarHBondContact OD1-CB 3.36Å; N547-E549 PolarHBondContact OD1-N 3.38Å; E549-Y551 PolarHBondContact O-N 2.92Å; E549-S552 PolarHBondContact O-N 3.13Å; E549-S553 WeakPolarHBondContact O-CB 3.29Å; E549-S553 PolarHBondContact O-N 2.91Å; E549-S553 PolarHBondContact O-OG 2.75Å
550	R	96.6	Very high	96.2	Very high	13 Å²	13	38.9 Å²	38.9	5%	0.049	21%	0.205	C	C	.	.	H	α-helix	trans	-60.6	-46.2	175.5	-168.1	-165.7	-69.1	118	-6.9	110.9	D519 Y524 N545 N547 S553 I554	D519-R550 PolarHBondContact O-NE 2.85Å; D519-R550 PolarHBondContact O-NH2 2.79Å; D519-R550 IonicContact OD2-NH2 3.82Å; D519-R550 PolarHBondContact OD2-NH2 3.47Å; Y524-R550 HydrophobicContact CD2-CG 4.24Å; N545-R550 PolarHBondContact OD1-NH1 2.72Å; N547-R550 HydrophobicContact CB-CB 4.17Å; N547-R550 PolarHBondContact O-N 3.4Å; N547-R550 PolarHBondContact OD1-N 3.05Å; N547-R550 VanDerWaalsContact OD1-N 3.09Å; R550-S553 PolarHBondContact O-N 2.87Å; R550-I554 HydrophobicContact CG-CD1 4.03Å; R550-I554 WeakPolarHBondContact O-CG1 3.43Å; R550-I554 PolarHBondContact O-N 3.44Å
551	Y	97.6	Very high	96.1	Very high	62 Å²	62	41.3 Å²	41.3	24%	0.243	22%	0.218	C	C	.	.	H	α-helix	trans	-58.4	-48.2	175.9	175.9	-92.1	0	0	0	111.9	N547 E549 S553 I554 K555 V568 L823 N827	N547-Y551 WeakPolarHBondContact O-CB 3.14Å; N547-Y551 PolarHBondContact O-N 2.91Å; E549-Y551 PolarHBondContact O-N 2.92Å; Y551-S553 VanDerWaalsContact C-N 3.32Å; Y551-S553 PolarHBondContact O-N 2.83Å; Y551-I554 PolarHBondContact O-N 2.92Å; Y551-K555 HydrophobicContact CD1-CG 4.17Å; Y551-K555 HydrophobicContact CD2-CG 4.44Å; Y551-K555 HydrophobicContact CE1-CG 3.81Å; Y551-K555 HydrophobicContact CE2-CD 4.46Å; Y551-K555 HydrophobicContact CE2-CG 4.1Å; Y551-K555 HydrophobicContact CG-CG 4.47Å; Y551-K555 WeakPolarHBondContact O-CB 3.11Å; Y551-K555 WeakPolarHBondContact O-CG 3.37Å; Y551-K555 PolarHBondContact O-N 3.03Å; Y551-V568 HydrophobicContact CD2-CB 4.27Å; Y551-V568 HydrophobicContact CD2-CG1 4.24Å; Y551-V568 HydrophobicContact CD2-CG2 4.08Å; Y551-V568 HydrophobicContact CE2-CB 4.32Å; Y551-V568 HydrophobicContact CE2-CG2 4.18Å; Y551-L823 HydrophobicContact CE1-CD1 4.24Å; Y551-N827 HydrophobicContact CE1-CB 4.4Å
552	S	97	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	-62.6	-40	-179.6	-58.5	0	0	0	0	111.9	A548 E549 K555 K556 N827	A548-S552 VanDerWaalsContact O-CB 3.24Å; A548-S552 WeakPolarHBondContact O-CB 3.27Å; A548-S552 PolarHBondContact O-N 2.9Å; A548-S552 PolarHBondContact O-OG 2.85Å; E549-S552 PolarHBondContact O-N 3.13Å; S552-K555 PolarHBondContact O-N 3.16Å; S552-K556 WeakPolarHBondContact O-CB 3.34Å; S552-K556 PolarHBondContact O-N 3.4Å; S552-N827 WeakPolarHBondContact CB-O 3.42Å; S552-N827 PolarHBondContact OG-ND2 2.96Å
553	S	97.9	Very high	95.9	Very high	35 Å²	35	48 Å²	48	25%	0.245	25%	0.251	C	S	.	.	H	α-helix	trans	-67.7	-45.5	179.4	-56.6	0	0	0	0	112.5	T521 E549 R550 Y551 K555 K556 R557	T521-S553 VanDerWaalsContact CG2-OG 3.32Å; T521-S553 WeakPolarHBondContact CG2-OG 3.24Å; E549-S553 WeakPolarHBondContact O-CB 3.29Å; E549-S553 PolarHBondContact O-N 2.91Å; E549-S553 PolarHBondContact O-OG 2.75Å; R550-S553 PolarHBondContact O-N 2.87Å; Y551-S553 VanDerWaalsContact C-N 3.32Å; Y551-S553 PolarHBondContact O-N 2.83Å; S553-K555 VanDerWaalsContact C-N 3.3Å; S553-K555 PolarHBondContact O-N 3.05Å; S553-K556 PolarHBondContact O-N 2.77Å; S553-R557 WeakPolarHBondContact O-CB 3.49Å; S553-R557 WeakPolarHBondContact O-CG 3.23Å; S553-R557 PolarHBondContact O-N 3.1Å
554	I	98.1	Very high	95.9	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-57.5	-44.7	171.9	-72.7	167.5	0	0	0	110.4	Y524 M528 C541 V543 R550 Y551 G558 V568	Y524-I554 HydrophobicContact CD1-CD1 3.94Å; Y524-I554 HydrophobicContact CG-CD1 4.05Å; M528-I554 HydrophobicContact CE-CG2 4.49Å; M528-I554 WeakPolarHBondContact CE-O 3.4Å; M528-I554 HydrophobicContact SD-CB 4.21Å; M528-I554 HydrophobicContact SD-CG1 4.2Å; M528-I554 HydrophobicContact SD-CG2 3.87Å; C541-I554 HydrophobicContact CB-CD1 4.09Å; V543-I554 HydrophobicContact CG1-CD1 4.1Å; R550-I554 HydrophobicContact CG-CD1 4.03Å; R550-I554 WeakPolarHBondContact O-CG1 3.43Å; R550-I554 PolarHBondContact O-N 3.44Å; Y551-I554 PolarHBondContact O-N 2.92Å; I554-G558 PolarHBondContact O-N 3.27Å; I554-V568 HydrophobicContact CG2-CG2 4.12Å
555	K	98.1	Very high	96	Very high	4 Å²	4	47.4 Å²	47.4	2%	0.017	25%	0.247	C	C	.	.	H	α-helix	trans	-68.9	-39	-179.2	-70.7	-72.3	167.7	-157.8	0	112.9	Y551 S552 S553 Y559 T566 L823 L828	Y551-K555 HydrophobicContact CD1-CG 4.17Å; Y551-K555 HydrophobicContact CD2-CG 4.44Å; Y551-K555 HydrophobicContact CE1-CG 3.81Å; Y551-K555 HydrophobicContact CE2-CD 4.46Å; Y551-K555 HydrophobicContact CE2-CG 4.1Å; Y551-K555 HydrophobicContact CG-CG 4.47Å; Y551-K555 WeakPolarHBondContact O-CB 3.11Å; Y551-K555 WeakPolarHBondContact O-CG 3.37Å; Y551-K555 PolarHBondContact O-N 3.03Å; S552-K555 PolarHBondContact O-N 3.16Å; S553-K555 VanDerWaalsContact C-N 3.3Å; S553-K555 PolarHBondContact O-N 3.05Å; K555-Y559 HydrophobicContact CD-CD2 4.2Å; K555-Y559 HydrophobicContact CD-CE2 3.53Å; K555-Y559 PolarHBondContact NZ-OH 2.93Å; K555-Y559 WeakPolarHBondContact O-CB 3.36Å; K555-Y559 PolarHBondContact O-N 3.32Å; K555-Y559 VanDerWaalsContact O-N 3.08Å; K555-T566 PolarHBondContact NZ-O 3.35Å; K555-T566 PolarHBondContact NZ-OG1 2.87Å; K555-L823 HydrophobicContact CD-CD1 4.5Å; K555-L823 HydrophobicContact CG-CD1 4.45Å; K555-L828 VanDerWaalsContact C-CD2 3.41Å; K555-L828 HydrophobicContact CB-CD2 3.72Å; K555-L828 WeakPolarHBondContact O-CD2 3.42Å
556	K	97.3	Very high	96.3	Very high	63 Å²	63	43.3 Å²	43.3	27%	0.274	23%	0.225	S	C	.	.	H	α-helix	trans	-65.7	-48.6	176.1	-172.4	171.2	175.9	151.8	0	111.6	S552 S553 G558 Y559 V560 D561 L828 S830	S552-K556 WeakPolarHBondContact O-CB 3.34Å; S552-K556 PolarHBondContact O-N 3.4Å; S553-K556 PolarHBondContact O-N 2.77Å; K556-G558 VanDerWaalsContact C-N 3.33Å; K556-G558 PolarHBondContact O-N 2.87Å; K556-Y559 PolarHBondContact O-N 2.79Å; K556-V560 HydrophobicContact CG-CB 4Å; K556-V560 HydrophobicContact CG-CG2 4.15Å; K556-V560 WeakPolarHBondContact O-CB 3.37Å; K556-V560 PolarHBondContact O-N 3.03Å; K556-D561 PolarHBondContact O-N 2.95Å; K556-L828 HydrophobicContact CB-CD2 4.37Å; K556-S830 PolarHBondContact NZ-OG 2.77Å; K556-S830 VanDerWaalsContact NZ-OG 3.09Å
557	R	97.7	Very high	96.6	Very high	89 Å²	89	36.4 Å²	36.4	34%	0.336	19%	0.188	S	C	.	.	H	α-helix	trans	-60.1	-42.2	176.7	-73.3	-75.6	-175.5	-86.7	1.9	112.4	V525 M528 S553 D561 R562	V525-R557 HydrophobicContact CG1-CG 3.88Å; V525-R557 HydrophobicContact CG2-CG 4.04Å; M528-R557 HydrophobicContact CE-CB 4.21Å; S553-R557 WeakPolarHBondContact O-CB 3.49Å; S553-R557 WeakPolarHBondContact O-CG 3.23Å; S553-R557 PolarHBondContact O-N 3.1Å; R557-D561 VanDerWaalsContact CA-OD2 3.27Å; R557-D561 WeakPolarHBondContact CA-OD2 3.05Å; R557-D561 VanDerWaalsContact CD-OD2 3.32Å; R557-D561 WeakPolarHBondContact CD-OD2 3.4Å; R557-D561 IonicContact CZ-OD2 2.74Å; R557-D561 PolarHBondContact N-OD2 2.67Å; R557-D561 IonicContact NE-OD2 3.43Å; R557-D561 IonicContact NH1-OD1 2.67Å; R557-D561 IonicContact NH1-OD2 3.45Å; R557-D561 PolarHBondContact NH1-OD2 2.89Å; R557-R562 VanDerWaalsContact O-CB 3.22Å; R557-R562 WeakPolarHBondContact O-CB 3.35Å; R557-R562 WeakPolarHBondContact O-CG 3.34Å; R557-R562 PolarHBondContact O-N 2.93Å; R557-R562 VanDerWaalsContact O-N 3.16Å
558	G	97.1	Very high	96.9	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.01	18%	0.183	C	C	.	.	H	α-helix	trans	-67.8	-36.2	178.2	0	0	0	0	0	115.1	I554 K556 R562 V564	I554-G558 PolarHBondContact O-N 3.27Å; K556-G558 VanDerWaalsContact C-N 3.33Å; K556-G558 PolarHBondContact O-N 2.87Å; G558-R562 CarbonylContact C-O 3.54Å; G558-R562 CarbonylContact O-C 3.55Å; G558-R562 VanDerWaalsContact O-C 3.23Å; G558-V564 PolarHBondContact O-N 3.19Å; G558-V564 VanDerWaalsContact O-O 3.13Å
559	Y	98	Very high	97.2	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-117.6	-18.1	-164.8	-57.4	-17.3	0	0	0	116.2	K555 K556 R562 V564 T566 L823 L828 P832 Q833 L836 Y841	K555-Y559 HydrophobicContact CD-CD2 4.2Å; K555-Y559 HydrophobicContact CD-CE2 3.53Å; K555-Y559 PolarHBondContact NZ-OH 2.93Å; K555-Y559 WeakPolarHBondContact O-CB 3.36Å; K555-Y559 PolarHBondContact O-N 3.32Å; K555-Y559 VanDerWaalsContact O-N 3.08Å; K556-Y559 PolarHBondContact O-N 2.79Å; Y559-R562 CarbonylContact C-O 3.56Å; Y559-R562 WeakPolarHBondContact CA-O 3.36Å; Y559-V564 WeakPolarHBondContact CD1-O 3.33Å; Y559-V564 VanDerWaalsContact CE1-O 3.3Å; Y559-V564 WeakPolarHBondContact CE1-O 3.46Å; Y559-T566 HydrophobicContact CE1-CG2 4.35Å; Y559-T566 VanDerWaalsContact CE1-OG1 3.31Å; Y559-T566 WeakPolarHBondContact CE1-OG1 3.47Å; Y559-T566 VanDerWaalsContact CZ-OG1 3.3Å; Y559-T566 PolarHBondContact OH-N 3.36Å; Y559-T566 PolarHBondContact OH-O 3.06Å; Y559-T566 PolarHBondContact OH-OG1 2.95Å; Y559-L823 HydrophobicContact CD2-CD2 4.21Å; Y559-L823 HydrophobicContact CE2-CD2 4.02Å; Y559-L828 HydrophobicContact CD2-CD1 4.4Å; Y559-L828 HydrophobicContact CD2-CD2 4.49Å; Y559-P832 CarbonylContact O-C 3.4Å; Y559-P832 VanDerWaalsContact O-CA 3.26Å; Y559-P832 WeakPolarHBondContact O-CA 3.2Å; Y559-Q833 PolarHBondContact O-N 2.94Å; Y559-L836 HydrophobicContact CD1-CD1 3.92Å; Y559-L836 HydrophobicContact CG-CD1 4.21Å; Y559-Y841 HydrophobicContact CD1-CD2 4.35Å; Y559-Y841 AromaticContact CD2-CD2 3.73Å; Y559-Y841 HydrophobicContact CD2-CD2 3.73Å; Y559-Y841 HydrophobicContact CD2-CE2 4.3Å; Y559-Y841 AromaticContact CE2-CD2 3.85Å; Y559-Y841 HydrophobicContact CE2-CD2 3.85Å; Y559-Y841 WeakPolarHBondContact CE2-O 3.35Å; Y559-Y841 AromaticContact CG-CD2 4Å; Y559-Y841 HydrophobicContact CG-CD2 4Å; Y559-Y841 VanDerWaalsContact CZ-O 3.23Å; Y559-Y841 PolarHBondContact OH-O 3.16Å
560	V	97.3	Very high	97.4	Very high	20 Å²	20	28.8 Å²	28.8	12%	0.121	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.4	-50.7	-178.4	-179.4	0	0	0	0	109.7	K556 R562 L828 Q833	K556-V560 HydrophobicContact CG-CB 4Å; K556-V560 HydrophobicContact CG-CG2 4.15Å; K556-V560 WeakPolarHBondContact O-CB 3.37Å; K556-V560 PolarHBondContact O-N 3.03Å; V560-R562 VanDerWaalsContact C-N 3.33Å; V560-R562 PolarHBondContact N-O 2.81Å; V560-L828 HydrophobicContact CG2-CB 4.14Å; V560-L828 HydrophobicContact CG2-CD1 4.24Å; V560-L828 HydrophobicContact CG2-CD2 4.4Å; V560-Q833 WeakPolarHBondContact O-CG 3.36Å; V560-Q833 PolarHBondContact O-NE2 3.42Å
561	D	95.8	Very high	97.4	Very high	51 Å²	51	29.4 Å²	29.4	27%	0.273	15%	0.149	S	C	.	.	S	Bend	trans	-81.6	-18.3	-179.8	-42.9	-58.3	0	0	0	111.8	K556 R557	K556-D561 PolarHBondContact O-N 2.95Å; R557-D561 VanDerWaalsContact CA-OD2 3.27Å; R557-D561 WeakPolarHBondContact CA-OD2 3.05Å; R557-D561 VanDerWaalsContact CD-OD2 3.32Å; R557-D561 WeakPolarHBondContact CD-OD2 3.4Å; R557-D561 IonicContact CZ-OD2 2.74Å; R557-D561 PolarHBondContact N-OD2 2.67Å; R557-D561 IonicContact NE-OD2 3.43Å; R557-D561 IonicContact NH1-OD1 2.67Å; R557-D561 IonicContact NH1-OD2 3.45Å; R557-D561 PolarHBondContact NH1-OD2 2.89Å
562	R	94.7	Very high	97.2	Very high	106 Å²	106	35 Å²	35	40%	0.4	17%	0.174	S	C	.	.	S	Bend	trans	-141.6	176.9	175.6	-47.7	-68.7	169.9	-125.3	8.8	109.3	D529 V532 R557 G558 Y559 V560 Q833	D529-R562 IonicContact OD1-CZ 2.72Å; D529-R562 IonicContact OD1-NE 2.79Å; D529-R562 PolarHBondContact OD1-NE 2.9Å; D529-R562 IonicContact OD1-NH2 3.44Å; D529-R562 PolarHBondContact OD1-NH2 3.41Å; V532-R562 HydrophobicContact CG2-CG 4.34Å; R557-R562 VanDerWaalsContact O-CB 3.22Å; R557-R562 WeakPolarHBondContact O-CB 3.35Å; R557-R562 WeakPolarHBondContact O-CG 3.34Å; R557-R562 PolarHBondContact O-N 2.93Å; R557-R562 VanDerWaalsContact O-N 3.16Å; G558-R562 CarbonylContact C-O 3.54Å; G558-R562 CarbonylContact O-C 3.55Å; G558-R562 VanDerWaalsContact O-C 3.23Å; Y559-R562 CarbonylContact C-O 3.56Å; Y559-R562 WeakPolarHBondContact CA-O 3.36Å; V560-R562 VanDerWaalsContact C-N 3.33Å; V560-R562 PolarHBondContact N-O 2.81Å; R562-Q833 WeakPolarHBondContact O-CG 3.26Å
563	A	97	Very high	97.1	Very high	37 Å²	37	35.5 Å²	35.5	31%	0.306	18%	0.176	S	C	.	.			trans	-121.9	41.9	179.9	0	0	0	0	0	113.3	Q833 A835 L836	A563-Q833 HydrophobicContact CB-CB 3.9Å; A563-Q833 HydrophobicContact CB-CG 4.36Å; A563-A835 HydrophobicContact CB-CB 3.98Å; A563-L836 HydrophobicContact CB-CG 4.34Å; A563-L836 WeakPolarHBondContact O-CD2 3.44Å
564	V	97.6	Very high	96.7	Very high	16 Å²	16	34.2 Å²	34.2	10%	0.097	17%	0.167	C	C	.	.			trans	-109.9	122.5	-173.3	177.7	0	0	0	0	111.4	V532 P536 I539 G558 Y559 T566	V532-V564 HydrophobicContact CG2-CG2 4.08Å; P536-V564 HydrophobicContact CG-CG1 4.35Å; I539-V564 HydrophobicContact CD1-CG1 3.88Å; I539-V564 HydrophobicContact CG1-CG1 3.88Å; G558-V564 PolarHBondContact O-N 3.19Å; G558-V564 VanDerWaalsContact O-O 3.13Å; Y559-V564 WeakPolarHBondContact CD1-O 3.33Å; Y559-V564 VanDerWaalsContact CE1-O 3.3Å; Y559-V564 WeakPolarHBondContact CE1-O 3.46Å; V564-T566 PolarHBondContact O-N 2.92Å
565	P	98.1	Very high	96.3	Very high	3 Å²	3	40.9 Å²	40.9	2%	0.019	20%	0.196	C	C	.	.			trans	-57.9	134.6	173.9	-23.9	34.1	0	0	0	112.3	L538 I539 K593 L836 K839	L538-P565 WeakPolarHBondContact CA-O 3.43Å; L538-P565 HydrophobicContact CD1-CB 4.3Å; I539-P565 PolarHBondContact N-O 3.02Å; P565-K593 HydrophobicContact CB-CB 4.07Å; P565-K593 WeakPolarHBondContact CG-O 3Å; P565-L836 HydrophobicContact CG-CD2 4.12Å; P565-K839 HydrophobicContact CG-CD 4.08Å
566	T	98.4	Very high	96.1	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	137.5	-178.5	55.1	0	0	0	0	112.8	M528 I539 K555 Y559 V564 K593	M528-T566 HydrophobicContact CE-CG2 3.85Å; I539-T566 HydrophobicContact CB-CG2 4.35Å; I539-T566 CarbonylContact O-C 3.54Å; I539-T566 VanDerWaalsContact O-CA 3.24Å; I539-T566 WeakPolarHBondContact O-CA 3.3Å; K555-T566 PolarHBondContact NZ-O 3.35Å; K555-T566 PolarHBondContact NZ-OG1 2.87Å; Y559-T566 HydrophobicContact CE1-CG2 4.35Å; Y559-T566 VanDerWaalsContact CE1-OG1 3.31Å; Y559-T566 WeakPolarHBondContact CE1-OG1 3.47Å; Y559-T566 VanDerWaalsContact CZ-OG1 3.3Å; Y559-T566 PolarHBondContact OH-N 3.36Å; Y559-T566 PolarHBondContact OH-O 3.06Å; Y559-T566 PolarHBondContact OH-OG1 2.95Å; V564-T566 PolarHBondContact O-N 2.92Å; T566-K593 PolarHBondContact O-NZ 3.04Å
567	Q	98.4	Very high	95.7	Very high	8 Å²	8	53.4 Å²	53.4	4%	0.037	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	144.1	165.5	-172.1	62.5	13	0	0	109.5	L538 I539 L540 C541 V569 I586 Q589 L590	L538-Q567 HydrophobicContact CD2-CB 4.28Å; I539-Q567 PolarHBondContact O-N 3Å; L540-Q567 WeakPolarHBondContact CA-O 3.3Å; L540-Q567 HydrophobicContact CB-CB 4.18Å; L540-Q567 HydrophobicContact CD1-CB 4.22Å; L540-Q567 HydrophobicContact CD1-CG 4.03Å; L540-Q567 HydrophobicContact CG-CB 4.01Å; L540-Q567 HydrophobicContact CG-CG 4.14Å; C541-Q567 PolarHBondContact N-O 2.88Å; Q567-V569 HydrophobicContact CG-CG2 4.13Å; Q567-I586 HydrophobicContact CG-CG2 4.29Å; Q567-Q589 VanDerWaalsContact OE1-CD 3.31Å; Q567-L590 HydrophobicContact CB-CD2 3.79Å; Q567-L590 HydrophobicContact CG-CD2 3.92Å
568	V	98.4	Very high	95.5	Very high	28 Å²	28	52.5 Å²	52.5	17%	0.17	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	131.8	170.4	-178.5	0	0	0	0	107.3	C541 V543 Y551 I554	C541-V568 WeakPolarHBondContact O-CA 3.37Å; V543-V568 HydrophobicContact CB-CG1 4.45Å; V543-V568 HydrophobicContact CG1-CG1 3.98Å; V543-V568 HydrophobicContact CG2-CG1 3.61Å; Y551-V568 HydrophobicContact CD2-CB 4.27Å; Y551-V568 HydrophobicContact CD2-CG1 4.24Å; Y551-V568 HydrophobicContact CD2-CG2 4.08Å; Y551-V568 HydrophobicContact CE2-CB 4.32Å; Y551-V568 HydrophobicContact CE2-CG2 4.18Å; I554-V568 HydrophobicContact CG2-CG2 4.12Å
569	V	98.1	Very high	95.3	Very high	6 Å²	6	53.2 Å²	53.2	4%	0.036	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	131.3	176.7	-176.6	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 4.11Å; L493-V569 HydrophobicContact CD2-CG1 3.87Å; L493-V569 HydrophobicContact CD2-CG2 4.19Å; L540-V569 HydrophobicContact CD1-CG2 4.29Å; L540-V569 HydrophobicContact CD2-CG2 4.35Å; L540-V569 HydrophobicContact CG-CG2 4.38Å; C541-V569 PolarHBondContact O-N 3.31Å; L542-V569 WeakPolarHBondContact CA-O 3.36Å; L542-V569 HydrophobicContact CD1-CB 4.38Å; L542-V569 HydrophobicContact CD1-CG1 4.38Å; V543-V569 PolarHBondContact N-O 2.81Å; Q567-V569 HydrophobicContact CG-CG2 4.13Å; V569-T573 HydrophobicContact CG1-CG2 4.14Å; V569-T574 HydrophobicContact CG1-CG2 4.47Å; V569-I586 HydrophobicContact CG1-CD1 4.5Å; V569-I586 HydrophobicContact CG2-CD1 4.05Å
570	T	96.9	Very high	95	Very high	40 Å²	40	57.2 Å²	57.2	25%	0.245	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	143.4	176.1	58	0	0	0	0	110.6	V543 K572 T573	V543-T570 HydrophobicContact CG2-CG2 4.08Å; V543-T570 CarbonylContact O-C 3.58Å; V543-T570 WeakPolarHBondContact O-CA 3.16Å; T570-K572 PolarHBondContact O-N 2.99Å; T570-K572 VanDerWaalsContact O-N 3.13Å; T570-T573 WeakPolarHBondContact O-CA 3.12Å; T570-T573 WeakPolarHBondContact O-CB 3.42Å; T570-T573 PolarHBondContact O-N 3.04Å; T570-T573 PolarHBondContact O-OG1 2.93Å; T570-T573 PolarHBondContact OG1-OG1 2.75Å
571	L	95.2	Very high	94.8	Very high	25 Å²	25	58.5 Å²	58.5	13%	0.131	29%	0.287	C	S	.	.	H	α-helix	trans	-58.6	-26.9	180	-174.3	67.2	0	0	0	113.6	N486 E489 V543 P544 T573 T574	N486-L571 HydrophobicContact CB-CD1 4.24Å; N486-L571 WeakPolarHBondContact ND2-CD2 3.46Å; E489-L571 HydrophobicContact CB-CD1 3.68Å; E489-L571 HydrophobicContact CG-CD1 3.74Å; V543-L571 PolarHBondContact O-N 3.2Å; P544-L571 HydrophobicContact CB-CD2 4.5Å; L571-T573 PolarHBondContact O-N 3.46Å; L571-T574 PolarHBondContact O-N 2.8Å; L571-T574 PolarHBondContact O-OG1 2.75Å
572	K	94.2	Very high	94.7	Very high	180 Å²	180	58.1 Å²	58.1	78%	0.783	29%	0.285	S	S	*	.	H	α-helix	trans	-62.8	-22.8	171	-176.2	170.2	178	175	0	113.1	T570	T570-K572 PolarHBondContact O-N 2.99Å; T570-K572 VanDerWaalsContact O-N 3.13Å
573	T	93.8	Very high	94.7	Very high	32 Å²	32	53.1 Å²	53.1	20%	0.196	27%	0.266	C	S	.	.	H	α-helix	trans	-76.4	-39.8	179.5	-54.3	0	0	0	0	111.9	V569 T570 L571 K575 N576 I582	V569-T573 HydrophobicContact CG1-CG2 4.14Å; T570-T573 WeakPolarHBondContact O-CA 3.12Å; T570-T573 WeakPolarHBondContact O-CB 3.42Å; T570-T573 PolarHBondContact O-N 3.04Å; T570-T573 PolarHBondContact O-OG1 2.93Å; T570-T573 PolarHBondContact OG1-OG1 2.75Å; L571-T573 PolarHBondContact O-N 3.46Å; T573-K575 VanDerWaalsContact C-N 3.31Å; T573-K575 PolarHBondContact O-N 3.49Å; T573-N576 WeakPolarHBondContact O-CB 3.33Å; T573-N576 PolarHBondContact O-N 2.87Å; T573-I582 HydrophobicContact CG2-CD1 4.17Å; T573-I582 HydrophobicContact CG2-CG2 3.64Å
574	T	90.6	Very high	94.6	Very high	9 Å²	9	52.9 Å²	52.9	6%	0.055	26%	0.261	C	S	.	.	H	α-helix	trans	-68.9	-30.7	-179	63.8	0	0	0	0	112.1	E489 L493 L542 V569 L571 N576	E489-T574 WeakPolarHBondContact CB-OG1 3.28Å; L493-T574 HydrophobicContact CB-CG2 3.84Å; L493-T574 HydrophobicContact CD1-CG2 4.36Å; L493-T574 HydrophobicContact CD2-CG2 3.97Å; L493-T574 HydrophobicContact CG-CG2 4.27Å; L542-T574 HydrophobicContact CD1-CG2 3.84Å; V569-T574 HydrophobicContact CG1-CG2 4.47Å; L571-T574 PolarHBondContact O-N 2.8Å; L571-T574 PolarHBondContact O-OG1 2.75Å; T574-N576 PolarHBondContact O-N 2.91Å
575	K	89.9	Confident	94.5	Very high	141 Å²	141	56 Å²	56	61%	0.613	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	15.4	176.6	-54.1	-167.5	-178.9	-165.7	0	114.1	E489 T573	E489-K575 VanDerWaalsContact CG-CE 3.5Å; E489-K575 HydrophobicContact CG-CG 4.46Å; E489-K575 WeakPolarHBondContact OE1-CE 3.47Å; E489-K575 IonicContact OE1-NZ 3.87Å; E489-K575 PolarHBondContact OE1-NZ 2.81Å; T573-K575 VanDerWaalsContact C-N 3.31Å; T573-K575 PolarHBondContact O-N 3.49Å
576	N	92.8	Very high	94.5	Very high	72 Å²	72	56.3 Å²	56.3	39%	0.385	28%	0.275	S	S	.	.			trans	-90.9	128.9	-176.8	-169.4	-41.3	0	0	0	111.7	T573 T574 S578 L579 I582	T573-N576 WeakPolarHBondContact O-CB 3.33Å; T573-N576 PolarHBondContact O-N 2.87Å; T574-N576 PolarHBondContact O-N 2.91Å; N576-S578 PolarHBondContact O-N 3.09Å; N576-S578 PolarHBondContact OD1-N 2.69Å; N576-L579 WeakPolarHBondContact O-CB 3.35Å; N576-L579 PolarHBondContact O-N 3.16Å; N576-I582 HydrophobicContact CB-CD1 3.96Å
577	R	90.4	Very high	94.4	Very high	257 Å²	257	56.3 Å²	56.3	97%	0.97	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-24.5	176.8	-65.3	-175	-179.9	-176.5	-0.9	114.3
578	S	92.4	Very high	94.4	Very high	70 Å²	70	56.2 Å²	56.2	49%	0.49	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	22	178.9	-60.6	0	0	0	0	114	N576 M580 S581 I582	N576-S578 PolarHBondContact O-N 3.09Å; N576-S578 PolarHBondContact OD1-N 2.69Å; S578-M580 VanDerWaalsContact C-N 3.32Å; S578-M580 PolarHBondContact O-N 2.75Å; S578-M580 VanDerWaalsContact O-N 3.15Å; S578-S581 PolarHBondContact O-N 2.79Å; S578-S581 PolarHBondContact O-OG 2.94Å; S578-I582 PolarHBondContact O-N 2.82Å
579	L	93.4	Very high	94.4	Very high	16 Å²	16	56.2 Å²	56.2	8%	0.084	27%	0.272	C	S	.	.	H	α-helix	trans	-46.8	-46.5	-171.2	-178.4	58.2	0	0	0	114.1	T492 L493 S496 N576 S581 I582 A583	T492-L579 HydrophobicContact CG2-CD2 3.94Å; L493-L579 HydrophobicContact CD1-CD1 4.19Å; S496-L579 VanDerWaalsContact OG-CD2 3.24Å; S496-L579 WeakPolarHBondContact OG-CD2 3.37Å; N576-L579 WeakPolarHBondContact O-CB 3.35Å; N576-L579 PolarHBondContact O-N 3.16Å; L579-S581 VanDerWaalsContact C-N 3.3Å; L579-S581 PolarHBondContact O-N 3.38Å; L579-I582 CarbonylContact O-C 3.5Å; L579-I582 WeakPolarHBondContact O-CA 3.47Å; L579-I582 WeakPolarHBondContact O-CB 3.29Å; L579-I582 PolarHBondContact O-N 2.86Å; L579-A583 PolarHBondContact O-N 2.89Å
580	M	92.1	Very high	94.4	Very high	85 Å²	85	55.9 Å²	55.9	42%	0.419	27%	0.271	S	S	.	.	H	α-helix	trans	-53.4	-43.7	178.4	-77.3	-57.8	-57	0	0	113	R499 A500 S578 I582 A583 T584	R499-M580 HydrophobicContact CB-CE 3.86Å; R499-M580 HydrophobicContact CB-SD 4.45Å; A500-M580 HydrophobicContact CB-CE 4.04Å; S578-M580 VanDerWaalsContact C-N 3.32Å; S578-M580 PolarHBondContact O-N 2.75Å; S578-M580 VanDerWaalsContact O-N 3.15Å; M580-I582 PolarHBondContact O-N 3.39Å; M580-A583 PolarHBondContact O-N 3.26Å; M580-T584 PolarHBondContact O-N 2.95Å; M580-T584 PolarHBondContact O-OG1 2.71Å
581	S	92.1	Very high	94.4	Very high	47 Å²	47	54 Å²	54	33%	0.329	26%	0.259	S	S	.	.	H	α-helix	trans	-68.9	-21.2	178.8	73.5	0	0	0	0	113.7	S578 L579	S578-S581 PolarHBondContact O-N 2.79Å; S578-S581 PolarHBondContact O-OG 2.94Å; L579-S581 VanDerWaalsContact C-N 3.3Å; L579-S581 PolarHBondContact O-N 3.38Å
582	I	94.6	Very high	94.6	Very high	43 Å²	43	52.8 Å²	52.8	22%	0.221	25%	0.253	C	S	.	.	H	α-helix	trans	-86.2	-40	175.2	-53.1	170.8	0	0	0	109.2	T573 N576 S578 L579 M580 T584 K585 I586	T573-I582 HydrophobicContact CG2-CD1 4.17Å; T573-I582 HydrophobicContact CG2-CG2 3.64Å; N576-I582 HydrophobicContact CB-CD1 3.96Å; S578-I582 PolarHBondContact O-N 2.82Å; L579-I582 CarbonylContact O-C 3.5Å; L579-I582 WeakPolarHBondContact O-CA 3.47Å; L579-I582 WeakPolarHBondContact O-CB 3.29Å; L579-I582 PolarHBondContact O-N 2.86Å; M580-I582 PolarHBondContact O-N 3.39Å; I582-T584 VanDerWaalsContact C-N 3.31Å; I582-T584 PolarHBondContact O-N 3.4Å; I582-K585 CarbonylContact O-C 3.57Å; I582-K585 WeakPolarHBondContact O-CA 3.47Å; I582-K585 PolarHBondContact O-N 2.91Å; I582-I586 HydrophobicContact CG2-CD1 4.11Å; I582-I586 HydrophobicContact CG2-CG1 4.45Å; I582-I586 WeakPolarHBondContact O-CG1 3.12Å; I582-I586 PolarHBondContact O-N 3.41Å
583	A	95.1	Very high	94.7	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-59	-39.2	172.8	0	0	0	0	0	112	S496 A500 L579 M580 K585 I586 A587	S496-A583 WeakPolarHBondContact O-CB 3.44Å; A500-A583 HydrophobicContact CB-CB 3.99Å; L579-A583 PolarHBondContact O-N 2.89Å; M580-A583 PolarHBondContact O-N 3.26Å; A583-K585 PolarHBondContact O-N 2.99Å; A583-I586 PolarHBondContact O-N 3.33Å; A583-A587 WeakPolarHBondContact O-CB 3.21Å; A583-A587 PolarHBondContact O-N 3Å
584	T	94.8	Very high	94.9	Very high	33 Å²	33	43.7 Å²	43.7	20%	0.202	21%	0.211	C	C	.	.	H	α-helix	trans	-55.2	-48.9	168.8	-49.2	0	0	0	0	111.4	F462 M504 M580 I582 I586 A587 I588	F462-T584 HydrophobicContact CB-CG2 4.18Å; M504-T584 HydrophobicContact CE-CG2 3.96Å; M504-T584 WeakPolarHBondContact CE-O 3.04Å; 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 2.71Å; I582-T584 VanDerWaalsContact C-N 3.31Å; I582-T584 PolarHBondContact O-N 3.4Å; T584-I586 PolarHBondContact O-N 3.4Å; T584-A587 PolarHBondContact O-N 3.13Å; T584-I588 HydrophobicContact CG2-CD1 4.31Å; T584-I588 WeakPolarHBondContact O-CG1 3.31Å; T584-I588 PolarHBondContact O-N 3.23Å
585	K	95.6	Very high	95.1	Very high	80 Å²	80	44 Å²	44	35%	0.348	22%	0.216	S	C	.	.	H	α-helix	trans	-68.3	-34.5	179.9	-67.1	-176.3	-178.7	-169.7	0	112.8	I582 A583 Q589	I582-K585 CarbonylContact O-C 3.57Å; I582-K585 WeakPolarHBondContact O-CA 3.47Å; I582-K585 PolarHBondContact O-N 2.91Å; A583-K585 PolarHBondContact O-N 2.99Å; K585-Q589 WeakPolarHBondContact O-CB 3.4Å; K585-Q589 PolarHBondContact O-N 3.12Å
586	I	97.3	Very high	95.5	Very high	10 Å²	10	41.1 Å²	41.1	5%	0.051	20%	0.202	C	C	.	.	H	α-helix	trans	-63.9	-49.2	172.1	-67.1	166.9	0	0	0	109.6	L493 L497 Q567 V569 I582 A583 T584 I588 Q589 L590	L493-I586 HydrophobicContact CD1-CD1 4.22Å; L497-I586 HydrophobicContact CD1-CB 4.25Å; L497-I586 HydrophobicContact CD1-CG2 3.82Å; Q567-I586 HydrophobicContact CG-CG2 4.29Å; V569-I586 HydrophobicContact CG1-CD1 4.5Å; V569-I586 HydrophobicContact CG2-CD1 4.05Å; I582-I586 HydrophobicContact CG2-CD1 4.11Å; I582-I586 HydrophobicContact CG2-CG1 4.45Å; I582-I586 WeakPolarHBondContact O-CG1 3.12Å; I582-I586 PolarHBondContact O-N 3.41Å; A583-I586 PolarHBondContact O-N 3.33Å; T584-I586 PolarHBondContact O-N 3.4Å; I586-I588 PolarHBondContact O-N 3.34Å; I586-Q589 CarbonylContact O-C 3.51Å; I586-Q589 WeakPolarHBondContact O-CA 3.34Å; I586-Q589 WeakPolarHBondContact O-CB 3.41Å; I586-Q589 PolarHBondContact O-N 3.16Å; I586-L590 HydrophobicContact CG2-CD1 4.49Å; I586-L590 HydrophobicContact CG2-CD2 4.32Å; I586-L590 HydrophobicContact CG2-CG 4.19Å; I586-L590 WeakPolarHBondContact O-CG 3.17Å; I586-L590 PolarHBondContact O-N 2.87Å
587	A	96.9	Very high	95.7	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-61.3	-38.7	179.1	0	0	0	0	0	113.1	L497 A501 M504 A583 T584 Q589 L590 N591	L497-A587 HydrophobicContact CD1-CB 3.95Å; A501-A587 HydrophobicContact CB-CB 3.82Å; M504-A587 HydrophobicContact CE-CB 3.46Å; M504-A587 VanDerWaalsContact CE-CB 3.46Å; A583-A587 WeakPolarHBondContact O-CB 3.21Å; A583-A587 PolarHBondContact O-N 3Å; T584-A587 PolarHBondContact O-N 3.13Å; A587-Q589 VanDerWaalsContact C-N 3.35Å; A587-L590 PolarHBondContact O-N 3.18Å; A587-N591 PolarHBondContact O-N 2.81Å
588	I	97.3	Very high	96	Very high	7 Å²	7	25.5 Å²	25.5	4%	0.036	14%	0.138	C	C	.	.	H	α-helix	trans	-57.1	-48.4	169	-69.9	168.5	0	0	0	110.3	F462 M467 M504 T584 I586 L590 N591 C592 P598 W599 Y802	F462-I588 HydrophobicContact CD1-CD1 3.7Å; F462-I588 HydrophobicContact CD1-CG1 4.4Å; F462-I588 HydrophobicContact CE1-CD1 3.79Å; F462-I588 HydrophobicContact CE1-CG1 4.47Å; F462-I588 HydrophobicContact CG-CD1 4.13Å; F462-I588 HydrophobicContact CZ-CD1 4.3Å; M467-I588 HydrophobicContact SD-CG1 4.06Å; M504-I588 HydrophobicContact CE-CG1 3.91Å; M504-I588 HydrophobicContact SD-CD1 4Å; M504-I588 HydrophobicContact SD-CG1 3.66Å; T584-I588 HydrophobicContact CG2-CD1 4.31Å; T584-I588 WeakPolarHBondContact O-CG1 3.31Å; T584-I588 PolarHBondContact O-N 3.23Å; I586-I588 PolarHBondContact O-N 3.34Å; I588-L590 PolarHBondContact O-N 3.01Å; I588-N591 PolarHBondContact O-N 2.74Å; I588-C592 PolarHBondContact O-N 2.92Å; I588-C592 VanDerWaalsContact O-N 3.1Å; I588-C592 PolarHBondContact O-SG 3.48Å; I588-P598 HydrophobicContact CG2-CB 4.02Å; I588-P598 HydrophobicContact CG2-CG 3.75Å; I588-W599 HydrophobicContact CG2-CZ3 4.22Å; I588-Y802 WeakPolarHBondContact CG2-O 3.34Å
589	Q	98.1	Very high	96.2	Very high	27 Å²	27	22.2 Å²	22.2	13%	0.126	12%	0.115	C	C	.	.	H	α-helix	trans	-64.7	-34.4	178.2	-170.9	-179.2	16.3	0	0	112.7	Q567 K585 I586 A587 K593 L843	Q567-Q589 VanDerWaalsContact OE1-CD 3.31Å; K585-Q589 WeakPolarHBondContact O-CB 3.4Å; K585-Q589 PolarHBondContact O-N 3.12Å; I586-Q589 CarbonylContact O-C 3.51Å; I586-Q589 WeakPolarHBondContact O-CA 3.34Å; I586-Q589 WeakPolarHBondContact O-CB 3.41Å; I586-Q589 PolarHBondContact O-N 3.16Å; A587-Q589 VanDerWaalsContact C-N 3.35Å; Q589-K593 HydrophobicContact CG-CD 4.38Å; Q589-K593 WeakPolarHBondContact O-CB 3.41Å; Q589-K593 VanDerWaalsContact O-CG 3.26Å; Q589-K593 WeakPolarHBondContact O-CG 3.25Å; Q589-K593 PolarHBondContact O-N 2.98Å; Q589-L843 HydrophobicContact CG-CB 4.24Å; Q589-L843 PolarHBondContact NE2-O 2.7Å; Q589-L843 PolarHBondContact NE2-OXT 3.33Å
590	L	98.3	Very high	96.4	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-65.5	-46.8	173.3	-60.1	-168.2	0	0	0	110.9	L475 L497 L538 Q567 I586 A587 I588 C592 K593 L594	L475-L590 HydrophobicContact CD2-CD1 4.07Å; L497-L590 HydrophobicContact CD1-CD1 4.17Å; L497-L590 HydrophobicContact CD2-CD1 4Å; L538-L590 HydrophobicContact CD1-CB 4.47Å; L538-L590 HydrophobicContact CD1-CD2 3.72Å; L538-L590 HydrophobicContact CD2-CD2 3.85Å; L538-L590 HydrophobicContact CG-CD2 4.46Å; Q567-L590 HydrophobicContact CB-CD2 3.79Å; Q567-L590 HydrophobicContact CG-CD2 3.92Å; I586-L590 HydrophobicContact CG2-CD1 4.49Å; I586-L590 HydrophobicContact CG2-CD2 4.32Å; I586-L590 HydrophobicContact CG2-CG 4.19Å; I586-L590 WeakPolarHBondContact O-CG 3.17Å; I586-L590 PolarHBondContact O-N 2.87Å; A587-L590 PolarHBondContact O-N 3.18Å; I588-L590 PolarHBondContact O-N 3.01Å; L590-C592 VanDerWaalsContact C-N 3.31Å; L590-C592 PolarHBondContact O-N 3.23Å; L590-K593 WeakPolarHBondContact O-CB 3.26Å; L590-K593 PolarHBondContact O-N 3.43Å; L590-L594 WeakPolarHBondContact O-CG 3.31Å; L590-L594 PolarHBondContact O-N 3.03Å
591	N	97.9	Very high	96.6	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-57	-45.2	177.6	-161.7	46.9	0	0	0	111.4	M467 T469 P471 L506 A587 I588 K593 L594 G595 Y596	M467-N591 HydrophobicContact CE-CB 3.77Å; M467-N591 HydrophobicContact SD-CB 3.84Å; T469-N591 PolarHBondContact O-ND2 3.45Å; P471-N591 WeakPolarHBondContact CD-OD1 3.44Å; L506-N591 HydrophobicContact CD2-CB 4.33Å; A587-N591 PolarHBondContact O-N 2.81Å; I588-N591 PolarHBondContact O-N 2.74Å; N591-K593 VanDerWaalsContact C-N 3.33Å; N591-K593 PolarHBondContact O-N 3.5Å; N591-L594 PolarHBondContact O-N 3.46Å; N591-G595 PolarHBondContact O-N 3.28Å; N591-Y596 PolarHBondContact O-N 3.17Å; N591-Y596 WeakPolarHBondContact OD1-CB 3.45Å
592	C	98.2	Very high	96.6	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-58.4	-43.1	173.7	-61.1	0	0	0	0	112.4	I588 L590 L594 G595 Y596 P598 Y802 F840 L843	I588-C592 PolarHBondContact O-N 2.92Å; I588-C592 VanDerWaalsContact O-N 3.1Å; I588-C592 PolarHBondContact O-SG 3.48Å; L590-C592 VanDerWaalsContact C-N 3.31Å; L590-C592 PolarHBondContact O-N 3.23Å; C592-L594 VanDerWaalsContact C-N 3.29Å; C592-L594 PolarHBondContact O-N 2.99Å; C592-G595 PolarHBondContact O-N 3.39Å; C592-Y596 WeakPolarHBondContact CA-O 3.38Å; C592-P598 WeakPolarHBondContact SG-CG 3.14Å; C592-Y802 WeakPolarHBondContact SG-CB 3.42Å; C592-F840 HydrophobicContact CB-CB 3.78Å; C592-F840 HydrophobicContact CB-CD2 3.86Å; C592-F840 HydrophobicContact CB-CG 4.12Å; C592-F840 WeakPolarHBondContact O-CB 3.26Å; C592-F840 WeakPolarHBondContact O-CD2 3.18Å; C592-F840 PolarHBondContact O-N 3.3Å; C592-F840 VanDerWaalsContact O-N 3.16Å; C592-L843 HydrophobicContact CB-CD1 3.91Å
593	K	98.2	Very high	96.5	Very high	1 Å²	1	17.9 Å²	17.9	0%	0.004	9%	0.087	C	C	.	.	H	α-helix	trans	-68.3	-25.7	-178.9	-79.9	175.9	178.8	179.8	0	114.1	L538 P565 T566 Q589 L590 N591 G595 F840 L843	L538-K593 HydrophobicContact CD1-CB 3.9Å; L538-K593 HydrophobicContact CD1-CD 4.32Å; P565-K593 HydrophobicContact CB-CB 4.07Å; P565-K593 WeakPolarHBondContact CG-O 3Å; T566-K593 PolarHBondContact O-NZ 3.04Å; Q589-K593 HydrophobicContact CG-CD 4.38Å; Q589-K593 WeakPolarHBondContact O-CB 3.41Å; Q589-K593 VanDerWaalsContact O-CG 3.26Å; Q589-K593 WeakPolarHBondContact O-CG 3.25Å; Q589-K593 PolarHBondContact O-N 2.98Å; L590-K593 WeakPolarHBondContact O-CB 3.26Å; L590-K593 PolarHBondContact O-N 3.43Å; N591-K593 VanDerWaalsContact C-N 3.33Å; N591-K593 PolarHBondContact O-N 3.5Å; K593-G595 VanDerWaalsContact C-N 3.3Å; K593-F840 WeakPolarHBondContact CG-O 3.41Å; K593-L843 WeakPolarHBondContact CE-OXT 3.21Å; K593-L843 PolarHBondContact NZ-OXT 2.77Å
594	L	96.9	Very high	96.3	Very high	19 Å²	19	23 Å²	23	10%	0.099	12%	0.121	C	C	.	.	H	α-helix	trans	-77	-17.8	172	-63	169.6	0	0	0	112.4	P471 L475 K537 L538 L590 N591 C592 Y596	P471-L594 HydrophobicContact CG-CD1 4.18Å; L475-L594 HydrophobicContact CB-CD1 4.36Å; L475-L594 HydrophobicContact CD1-CD1 4.03Å; L475-L594 HydrophobicContact CD1-CD2 3.93Å; K537-L594 HydrophobicContact CB-CD2 3.89Å; L538-L594 HydrophobicContact CB-CD2 4.42Å; L590-L594 WeakPolarHBondContact O-CG 3.31Å; L590-L594 PolarHBondContact O-N 3.03Å; N591-L594 PolarHBondContact O-N 3.46Å; C592-L594 VanDerWaalsContact C-N 3.29Å; C592-L594 PolarHBondContact O-N 2.99Å; L594-Y596 HydrophobicContact CB-CD2 3.8Å; L594-Y596 HydrophobicContact CB-CE2 4.18Å
595	G	95.7	Very high	96.1	Very high	16 Å²	16	22.8 Å²	22.8	17%	0.165	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	112.7	5	-179.9	0	0	0	0	0	114.8	N591 C592 K593	N591-G595 PolarHBondContact O-N 3.28Å; C592-G595 PolarHBondContact O-N 3.39Å; K593-G595 VanDerWaalsContact C-N 3.3Å
596	Y	96.8	Very high	96	Very high	81 Å²	81	22 Å²	22	32%	0.318	12%	0.123	S	C	.	.			trans	-102	167.2	-170	-66.9	-94.6	0	0	0	112.9	T470 P471 N591 C592 L594	T470-Y596 VanDerWaalsContact C-CD1 3.42Å; P471-Y596 HydrophobicContact CB-CD2 4.36Å; P471-Y596 HydrophobicContact CB-CE1 4.23Å; P471-Y596 HydrophobicContact CB-CE2 3.72Å; P471-Y596 HydrophobicContact CG-CD2 4.3Å; P471-Y596 HydrophobicContact CG-CE2 4.13Å; N591-Y596 PolarHBondContact O-N 3.17Å; N591-Y596 WeakPolarHBondContact OD1-CB 3.45Å; C592-Y596 WeakPolarHBondContact CA-O 3.38Å; L594-Y596 HydrophobicContact CB-CD2 3.8Å; L594-Y596 HydrophobicContact CB-CE2 4.18Å
597	T	97.4	Very high	95.9	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.123	C	C	.	.			trans	-113.9	113.7	-166.7	-60.1	0	0	0	0	111.9	L468 T469 W599 M600 S639 Y802	L468-T597 HydrophobicContact CD2-CG2 4.13Å; L468-T597 PolarHBondContact N-O 2.96Å; T469-T597 PolarHBondContact N-O 3.29Å; T469-T597 WeakPolarHBondContact OG1-CB 3.34Å; T469-T597 PolarHBondContact OG1-N 3.46Å; T597-W599 WeakPolarHBondContact CG2-O 3.23Å; T597-M600 HydrophobicContact CG2-CE 4.22Å; T597-S639 VanDerWaalsContact CB-OG 3.29Å; T597-S639 WeakPolarHBondContact CB-OG 3.39Å; T597-S639 PolarHBondContact OG1-O 2.96Å; T597-S639 VanDerWaalsContact OG1-O 3.1Å; T597-S639 PolarHBondContact OG1-OG 2.59Å; T597-Y802 HydrophobicContact CG2-CE1 4.43Å; T597-Y802 HydrophobicContact CG2-CE2 4.18Å; T597-Y802 WeakPolarHBondContact CG2-OH 3.25Å
598	P	96.8	Very high	95.9	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.123	C	C	.	.	S	Bend	trans	-66.2	-38.4	177.7	-28.3	39.6	0	0	0	115.2	M467 L468 I588 C592 Y802	M467-P598 VanDerWaalsContact CA-O 3.3Å; M467-P598 WeakPolarHBondContact CA-O 3.33Å; M467-P598 HydrophobicContact CG-CB 3.95Å; M467-P598 HydrophobicContact SD-CB 3.8Å; M467-P598 HydrophobicContact SD-CG 3.99Å; L468-P598 PolarHBondContact N-O 3.49Å; I588-P598 HydrophobicContact CG2-CB 4.02Å; I588-P598 HydrophobicContact CG2-CG 3.75Å; C592-P598 WeakPolarHBondContact SG-CG 3.14Å; P598-Y802 HydrophobicContact CG-CD2 4.47Å; P598-Y802 HydrophobicContact CG-CG 4.2Å
599	W	97.3	Very high	96	Very high	1 Å²	1	21.5 Å²	21.5	0%	0.004	12%	0.122	C	C	.	.			trans	-157.2	166.4	178	67.1	86.1	0	0	0	111.4	I443 V444 F445 W458 F462 I588 T597 H799 Y802 W804	I443-W599 HydrophobicContact CG2-CB 3.68Å; I443-W599 HydrophobicContact CG2-CG 3.77Å; V444-W599 CarbonylContact O-C 3.48Å; V444-W599 VanDerWaalsContact O-CA 3.3Å; V444-W599 WeakPolarHBondContact O-CA 3.48Å; V444-W599 WeakPolarHBondContact O-CB 3.42Å; F445-W599 HydrophobicContact CE1-CB 4.18Å; F445-W599 HydrophobicContact CZ-CB 4.33Å; W458-W599 AromaticContact CE2-CE2 3.95Å; W458-W599 AromaticContact CE2-NE1 3.98Å; W458-W599 AromaticContact CZ2-CE2 3.75Å; W458-W599 AromaticContact CZ2-CZ2 3.78Å; W458-W599 HydrophobicContact CZ2-CZ2 3.78Å; W458-W599 AromaticContact CZ2-NE1 3.54Å; W458-W599 AromaticContact NE1-CD2 3.76Å; W458-W599 AromaticContact NE1-CE2 3.52Å; W458-W599 AromaticContact NE1-CZ2 3.75Å; W458-W599 AromaticContact NE1-NE1 3.85Å; F462-W599 AromaticContact CE1-CE3 3.6Å; F462-W599 HydrophobicContact CE1-CE3 3.6Å; F462-W599 AromaticContact CE1-CZ3 3.85Å; F462-W599 HydrophobicContact CE1-CZ3 3.85Å; F462-W599 HydrophobicContact CE2-CZ3 4.43Å; F462-W599 HydrophobicContact CZ-CD2 4.16Å; F462-W599 AromaticContact CZ-CE3 3.31Å; F462-W599 HydrophobicContact CZ-CE3 3.31Å; F462-W599 HydrophobicContact CZ-CH2 4.28Å; F462-W599 AromaticContact CZ-CZ3 3.4Å; F462-W599 HydrophobicContact CZ-CZ3 3.4Å; F462-W599 VanDerWaalsContact CZ-CZ3 3.4Å; I588-W599 HydrophobicContact CG2-CZ3 4.22Å; T597-W599 WeakPolarHBondContact CG2-O 3.23Å; W599-H799 PolarHBondContact NE1-O 2.93Å; W599-Y802 AromaticContact CD2-CD1 3.93Å; W599-Y802 HydrophobicContact CD2-CD1 3.93Å; W599-Y802 HydrophobicContact CD2-CE1 4.35Å; W599-Y802 AromaticContact CE2-CD1 3.74Å; W599-Y802 HydrophobicContact CE3-CD1 4.22Å; W599-Y802 HydrophobicContact CG-CE1 4.47Å; W599-Y802 HydrophobicContact CH2-CD1 4.26Å; W599-Y802 WeakPolarHBondContact CH2-O 3.44Å; W599-Y802 AromaticContact CZ2-CD1 3.93Å; W599-Y802 HydrophobicContact CZ2-CD1 3.93Å; W599-Y802 HydrophobicContact CZ3-CD1 4.37Å; W599-Y802 VanDerWaalsContact O-CE1 3.24Å; W599-Y802 WeakPolarHBondContact O-CE1 3.42Å; W599-Y802 PolarHBondContact O-OH 2.93Å; W599-W804 WeakPolarHBondContact CH2-O 3.47Å; W599-W804 WeakPolarHBondContact CZ2-O 3.34Å
600	M	97.3	Very high	96	Very high	11 Å²	11	20.2 Å²	20.2	5%	0.054	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	-179.9	173.9	-170.1	43.1	64.8	0	0	111.8	V444 L468 T597 L635 L800 Y802	V444-M600 HydrophobicContact CB-CB 4.43Å; V444-M600 PolarHBondContact N-O 2.78Å; V444-M600 PolarHBondContact O-N 2.83Å; L468-M600 HydrophobicContact CD2-CB 3.35Å; L468-M600 HydrophobicContact CD2-CG 4.43Å; T597-M600 HydrophobicContact CG2-CE 4.22Å; M600-L635 HydrophobicContact CE-CB 4.28Å; M600-L635 HydrophobicContact CE-CD1 4.45Å; M600-L635 HydrophobicContact CE-CD2 3.92Å; M600-L635 HydrophobicContact CE-CG 4.44Å; M600-L635 HydrophobicContact SD-CB 4.02Å; M600-L635 HydrophobicContact SD-CD1 4.3Å; M600-L800 HydrophobicContact CE-CD2 4.21Å; M600-L800 HydrophobicContact SD-CD1 3.98Å; M600-L800 HydrophobicContact SD-CD2 3.6Å; M600-L800 HydrophobicContact SD-CG 4.46Å; M600-Y802 VanDerWaalsContact CE-OH 3.32Å; M600-Y802 WeakPolarHBondContact CE-OH 3.37Å
601	I	95.9	Very high	96	Very high	5 Å²	5	20.3 Å²	20.3	3%	0.026	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	146	177.7	-161.1	66	0	0	0	109	Q441 N442 I443 L603 K796 H799 L800	Q441-I601 HydrophobicContact CB-CD1 3.64Å; N442-I601 WeakPolarHBondContact O-CD1 3.49Å; I443-I601 HydrophobicContact CD1-CD1 4.22Å; I601-L603 PolarHBondContact O-N 3.35Å; I601-L603 VanDerWaalsContact O-N 3.15Å; I601-K796 HydrophobicContact CG1-CB 3.99Å; I601-K796 HydrophobicContact CG1-CG 3.91Å; I601-K796 HydrophobicContact CG2-CB 4.32Å; I601-H799 HydrophobicContact CD1-CB 4.1Å; I601-L800 HydrophobicContact CB-CD2 3.95Å; I601-L800 HydrophobicContact CB-CG 4.45Å; I601-L800 HydrophobicContact CG2-CD1 3.86Å; I601-L800 HydrophobicContact CG2-CD2 3.95Å; I601-L800 HydrophobicContact CG2-CG 4.1Å
602	E	91.5	Very high	96	Very high	68 Å²	68	20.3 Å²	20.3	32%	0.318	12%	0.116	S	C	.	.			trans	-64.3	114.9	173.4	-64.6	175.2	136.2	0	0	110.3	N442 V444 K449 K796	N442-E602 HydrophobicContact CB-CG 4.37Å; N442-E602 WeakPolarHBondContact CB-OE2 3.37Å; N442-E602 PolarHBondContact ND2-OE2 2.86Å; V444-E602 HydrophobicContact CG2-CG 4.01Å; K449-E602 WeakPolarHBondContact CD-OE1 3.16Å; K449-E602 WeakPolarHBondContact CE-OE1 3.49Å; K449-E602 IonicContact NZ-OE1 2.76Å; K449-E602 PolarHBondContact NZ-OE1 2.76Å; E602-K796 WeakPolarHBondContact O-CD 3.49Å; E602-K796 VanDerWaalsContact O-CE 3.23Å; E602-K796 WeakPolarHBondContact O-CE 3.17Å; E602-K796 PolarHBondContact O-NZ 2.88Å
603	L	93.4	Very high	95.9	Very high	16 Å²	16	20.6 Å²	20.6	8%	0.084	12%	0.117	C	C	.	.			trans	-123.3	99	-173.1	-178.9	64.8	0	0	0	111.3	I601 L605 L608 L635 L793	I601-L603 PolarHBondContact O-N 3.35Å; I601-L603 VanDerWaalsContact O-N 3.15Å; L603-L605 HydrophobicContact CD1-CB 4.46Å; L603-L605 PolarHBondContact O-N 3.45Å; L603-L608 HydrophobicContact CD1-CD2 4.25Å; L603-L608 HydrophobicContact CD2-CD2 4.34Å; L603-L635 HydrophobicContact CD2-CB 3.89Å; L603-L793 HydrophobicContact CD1-CD1 3.61Å
604	P	90.7	Very high	95.6	Very high	108 Å²	108	21.1 Å²	21.1	70%	0.701	12%	0.12	S	C	*	.			trans	-84.7	50.7	-177.4	35.9	-37	0	0	0	112.2
605	L	91.7	Very high	95.3	Very high	28 Å²	28	22 Å²	22	15%	0.147	13%	0.125	C	C	.	.			trans	-146.3	95.9	-179.7	-74	177.6	0	0	0	111.2	L603 L608 L785 L793	L603-L605 HydrophobicContact CD1-CB 4.46Å; L603-L605 PolarHBondContact O-N 3.45Å; L605-L608 HydrophobicContact CB-CB 4.4Å; L605-L608 HydrophobicContact CB-CD2 4.07Å; L605-L608 HydrophobicContact CD1-CD2 3.98Å; L605-L608 WeakPolarHBondContact O-CB 3.44Å; L605-L785 HydrophobicContact CD1-CD1 4.1Å; L605-L785 HydrophobicContact CD2-CD2 4.44Å; L605-L793 HydrophobicContact CD1-CD1 4.27Å; L605-L793 HydrophobicContact CD1-CD2 3.89Å
606	S	91.8	Very high	95	Very high	63 Å²	63	21.9 Å²	21.9	44%	0.441	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	152.2	174.8	-25.9	0	0	0	0	112	L608 Q636 R679	S606-L608 VanDerWaalsContact C-N 3.28Å; S606-L608 PolarHBondContact O-N 2.96Å; S606-Q636 PolarHBondContact OG-OE1 3.07Å; S606-Q636 VanDerWaalsContact OG-OE1 3.07Å; S606-R679 PolarHBondContact O-NH1 3.15Å
607	G	95.1	Very high	94.5	Very high	6 Å²	6	24.1 Å²	24.1	6%	0.062	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.6	21.4	174.9	0	0	0	0	0	113.7	D634 Y669 P677 S678 R679	G607-D634 WeakPolarHBondContact CA-OD2 3.46Å; G607-D634 PolarHBondContact N-OD2 3.3Å; G607-Y669 WeakPolarHBondContact CA-OH 3.42Å; G607-P677 CarbonylContact O-C 3.55Å; G607-P677 WeakPolarHBondContact O-CB 3.48Å; G607-S678 PolarHBondContact O-N 2.99Å; G607-S678 VanDerWaalsContact O-N 3.1Å; G607-R679 PolarHBondContact O-N 2.73Å
608	L	97.5	Very high	94.1	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.005	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	114.7	-172.4	179.9	60.6	0	0	0	112.8	L603 L605 S606 R679 V681 L793	L603-L608 HydrophobicContact CD1-CD2 4.25Å; L603-L608 HydrophobicContact CD2-CD2 4.34Å; L605-L608 HydrophobicContact CB-CB 4.4Å; L605-L608 HydrophobicContact CB-CD2 4.07Å; L605-L608 HydrophobicContact CD1-CD2 3.98Å; L605-L608 WeakPolarHBondContact O-CB 3.44Å; S606-L608 VanDerWaalsContact C-N 3.28Å; S606-L608 PolarHBondContact O-N 2.96Å; L608-R679 HydrophobicContact CD1-CB 3.86Å; L608-V681 HydrophobicContact CD1-CB 4.4Å; L608-V681 HydrophobicContact CD1-CG2 3.86Å; L608-L793 HydrophobicContact CD2-CD1 4.06Å; L608-L793 HydrophobicContact CD2-CD2 4.24Å
609	M	98.6	Very high	93.4	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	115.5	165.1	-175.4	-170.8	-164.6	0	0	109.1	I611 A631 A665 L666 Y669 P677 R679 I680 V681	M609-I611 HydrophobicContact CE-CD1 3.87Å; M609-I611 HydrophobicContact CE-CG1 4.15Å; M609-I611 HydrophobicContact CG-CD1 4.36Å; M609-I611 HydrophobicContact CG-CG1 4.02Å; M609-I611 HydrophobicContact SD-CD1 3.9Å; M609-I611 HydrophobicContact SD-CG1 4.21Å; M609-A631 HydrophobicContact CE-CB 3.6Å; M609-A631 HydrophobicContact CG-CB 4.42Å; M609-A665 HydrophobicContact CE-CB 3.35Å; M609-L666 HydrophobicContact CE-CD2 4.36Å; M609-L666 HydrophobicContact CE-CG 4.49Å; M609-L666 HydrophobicContact SD-CD2 3.78Å; M609-Y669 HydrophobicContact CB-CD2 4.29Å; M609-Y669 HydrophobicContact CB-CE2 4.27Å; M609-Y669 HydrophobicContact CG-CD2 4.45Å; M609-P677 HydrophobicContact CB-CB 3.66Å; M609-P677 HydrophobicContact CB-CG 3.78Å; M609-P677 HydrophobicContact CG-CG 4.41Å; M609-P677 HydrophobicContact SD-CG 3.78Å; M609-R679 PolarHBondContact N-O 2.97Å; M609-I680 HydrophobicContact CB-CG1 4.44Å; M609-I680 VanDerWaalsContact O-CA 3.3Å; M609-I680 WeakPolarHBondContact O-CA 3.39Å; M609-I680 HydrophobicContact SD-CD1 4.45Å; M609-I680 HydrophobicContact SD-CG1 4.45Å; M609-V681 PolarHBondContact O-N 3.34Å
610	T	98.6	Very high	92.6	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.006	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	124.7	172.5	-53.7	0	0	0	0	109	A631 S632 V681 Y683 M797 V813	T610-A631 CarbonylContact O-C 3.47Å; T610-A631 WeakPolarHBondContact O-CA 3.5Å; T610-S632 PolarHBondContact N-OG 3.1Å; T610-S632 PolarHBondContact O-N 2.7Å; T610-V681 CarbonylContact C-O 3.48Å; T610-V681 WeakPolarHBondContact CA-O 3.38Å; T610-V681 HydrophobicContact CG2-CB 4.47Å; T610-Y683 HydrophobicContact CG2-CD2 3.76Å; T610-Y683 HydrophobicContact CG2-CE2 3.61Å; T610-M797 HydrophobicContact CG2-CE 3.91Å; T610-M797 HydrophobicContact CG2-CG 4.49Å; T610-V813 HydrophobicContact CG2-CG1 4.39Å; T610-V813 HydrophobicContact CG2-CG2 4.02Å
611	I	98.7	Very high	91.8	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	140	-176.5	-54.9	179.8	0	0	0	109.4	M609 L629 I630 A631 I680 V681 F682 Y683	M609-I611 HydrophobicContact CE-CD1 3.87Å; M609-I611 HydrophobicContact CE-CG1 4.15Å; M609-I611 HydrophobicContact CG-CD1 4.36Å; M609-I611 HydrophobicContact CG-CG1 4.02Å; M609-I611 HydrophobicContact SD-CD1 3.9Å; M609-I611 HydrophobicContact SD-CG1 4.21Å; I611-L629 HydrophobicContact CG2-CD1 3.77Å; I611-L629 HydrophobicContact CG2-CD2 4.06Å; I611-L629 HydrophobicContact CG2-CG 3.72Å; I611-I630 CarbonylContact C-O 3.51Å; I611-I630 VanDerWaalsContact CA-O 3.27Å; I611-I630 WeakPolarHBondContact CA-O 3.4Å; I611-A631 HydrophobicContact CG1-CB 4.17Å; I611-I680 HydrophobicContact CD1-CG2 3.76Å; I611-I680 HydrophobicContact CG1-CG2 4.25Å; I611-V681 PolarHBondContact N-O 2.71Å; I611-F682 HydrophobicContact CB-CD2 3.75Å; I611-F682 HydrophobicContact CB-CE2 4.26Å; I611-F682 HydrophobicContact CB-CG 4.33Å; I611-F682 HydrophobicContact CD1-CD2 4.12Å; I611-F682 HydrophobicContact CG2-CD2 3.57Å; I611-F682 HydrophobicContact CG2-CE2 3.54Å; I611-F682 HydrophobicContact CG2-CG 4.41Å; I611-F682 HydrophobicContact CG2-CZ 4.37Å; I611-Y683 PolarHBondContact O-N 3.36Å
612	G	98.1	Very high	90.8	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	136.1	170.9	0	0	0	0	0	110.9	L629 I630 Y683	G612-L629 WeakPolarHBondContact O-CA 3.49Å; G612-I630 PolarHBondContact N-O 3.03Å; G612-I630 PolarHBondContact O-N 3.46Å; G612-Y683 WeakPolarHBondContact CA-O 3.46Å
613	F	95.4	Very high	90.3	Very high	6 Å²	6	51.9 Å²	51.9	3%	0.026	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	130.5	-179.6	-173.7	-124.8	0	0	0	111.1	I615 A628 L629 L658 M661 F682 Y683 D685	F613-I615 HydrophobicContact CE1-CD1 3.78Å; F613-I615 HydrophobicContact CE1-CG1 3.95Å; F613-I615 HydrophobicContact CE2-CG1 4.42Å; F613-I615 HydrophobicContact CZ-CD1 3.87Å; F613-I615 HydrophobicContact CZ-CG1 3.77Å; F613-A628 VanDerWaalsContact CD2-O 3.26Å; F613-A628 WeakPolarHBondContact CD2-O 3.46Å; F613-L629 HydrophobicContact CD2-CB 4.13Å; F613-L658 HydrophobicContact CD1-CD1 3.9Å; F613-L658 HydrophobicContact CD1-CD2 4.31Å; F613-L658 HydrophobicContact CD2-CD1 3.96Å; F613-L658 HydrophobicContact CE1-CD1 3.93Å; F613-L658 HydrophobicContact CE1-CD2 4.28Å; F613-L658 HydrophobicContact CE2-CD1 4.01Å; F613-L658 HydrophobicContact CG-CD1 3.95Å; F613-L658 HydrophobicContact CZ-CD1 4Å; F613-M661 HydrophobicContact CD2-CE 4.36Å; F613-M661 HydrophobicContact CE2-CE 3.58Å; F613-M661 HydrophobicContact CZ-CE 4.18Å; F613-F682 HydrophobicContact CB-CE1 3.96Å; F613-F682 HydrophobicContact CB-CZ 3.64Å; F613-F682 HydrophobicContact CD1-CZ 4.38Å; F613-F682 HydrophobicContact CG-CZ 4.25Å; F613-Y683 PolarHBondContact N-O 3.03Å; F613-Y683 VanDerWaalsContact N-O 3.07Å; F613-D685 PolarHBondContact O-N 3.29Å
614	D	92.7	Very high	90	Very high	13 Å²	13	56.2 Å²	56.2	7%	0.07	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	158.3	174.2	-166.1	15.2	0	0	0	109.7	A628 D685 A817 K818	D614-A628 PolarHBondContact N-O 2.78Å; D614-A628 PolarHBondContact O-N 3.4Å; D614-D685 HydrophobicContact CB-CB 4.15Å; D614-A817 HydrophobicContact CB-CB 4.13Å; D614-K818 HydrophobicContact CB-CB 4.29Å; D614-K818 WeakPolarHBondContact OD2-CA 3.27Å; D614-K818 WeakPolarHBondContact OD2-CB 3.43Å; D614-K818 WeakPolarHBondContact OD2-CD 3.5Å; D614-K818 WeakPolarHBondContact OD2-CG 3.41Å
615	I	90.1	Very high	89.9	Confident	36 Å²	36	51.1 Å²	51.1	19%	0.185	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	126.8	-171.6	-57.9	175.5	0	0	0	110.3	F613 A625 Y626 V653	F613-I615 HydrophobicContact CE1-CD1 3.78Å; F613-I615 HydrophobicContact CE1-CG1 3.95Å; F613-I615 HydrophobicContact CE2-CG1 4.42Å; F613-I615 HydrophobicContact CZ-CD1 3.87Å; F613-I615 HydrophobicContact CZ-CG1 3.77Å; I615-A625 HydrophobicContact CG2-CB 3.84Å; I615-Y626 WeakPolarHBondContact CA-O 3.2Å; I615-V653 HydrophobicContact CD1-CG1 3.46Å; I615-V653 VanDerWaalsContact CD1-CG1 3.46Å
616	A	88.8	Confident	90	Very high	14 Å²	14	50 Å²	50	12%	0.116	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	135.8	176.3	0	0	0	0	0	111.5	A625 Y626 A821	A616-A625 CarbonylContact O-C 3.58Å; A616-A625 VanDerWaalsContact O-CA 3.28Å; A616-A625 WeakPolarHBondContact O-CA 3.41Å; A616-A625 WeakPolarHBondContact O-CB 3.05Å; A616-Y626 PolarHBondContact N-O 3.38Å; A616-Y626 PolarHBondContact O-N 3.06Å; A616-A821 VanDerWaalsContact CB-C 3.46Å; A616-A821 HydrophobicContact CB-CB 3.78Å; A616-A821 WeakPolarHBondContact CB-O 3.32Å
617	K	87.9	Confident	90	Very high	129 Å²	129	47 Å²	47	56%	0.561	21%	0.208	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-74.3	145.2	172.9	-59.4	-159.8	178.8	-151	0	110.6	A625 A650	K617-A625 HydrophobicContact CG-CB 4.45Å; K617-A650 HydrophobicContact CD-CB 4.21Å; K617-A650 PolarHBondContact NZ-O 3.46Å
618	S	87.7	Confident	90	Very high	7 Å²	7	46.7 Å²	46.7	5%	0.049	21%	0.206	C	C	.	.			trans	-70.3	132.9	174.7	-177.1	0	0	0	0	110.3	R620 D621 R624 G825	S618-R620 VanDerWaalsContact C-N 3.32Å; S618-R620 PolarHBondContact OG-N 2.79Å; S618-D621 WeakPolarHBondContact CB-O 3.44Å; S618-D621 PolarHBondContact OG-N 3.28Å; S618-R624 PolarHBondContact N-O 2.91Å; S618-G825 WeakPolarHBondContact CA-O 3.46Å
619	T	83.6	Confident	90	Very high	92 Å²	92	46.6 Å²	46.6	56%	0.564	21%	0.205	S	C	*	.	S	Bend	trans	-74.3	-25.8	174.7	56.1	0	0	0	0	112.2	G825 T826 H829	T619-G825 PolarHBondContact N-O 3.47Å; T619-G825 PolarHBondContact OG1-O 3.44Å; T619-T826 HydrophobicContact CG2-CG2 4.22Å; T619-H829 PolarHBondContact OG1-CE1 3.01Å; T619-H829 VanDerWaalsContact OG1-CE1 3.32Å
620	R	80	Confident	90	Very high	204 Å²	204	46.6 Å²	46.6	77%	0.77	21%	0.205	S	C	*	.	S	Bend	trans	-80.5	-33.5	178.7	-176.7	179.4	175.7	-150.6	-2.1	113.6	S618	S618-R620 VanDerWaalsContact C-N 3.32Å; S618-R620 PolarHBondContact OG-N 2.79Å
621	D	80	Confident	90	Very high	48 Å²	48	46.6 Å²	46.6	26%	0.257	21%	0.205	S	C	.	.			trans	-139.4	105.8	-179	-179	-5.4	0	0	0	110.2	S618 K623 R624	S618-D621 WeakPolarHBondContact CB-O 3.44Å; S618-D621 PolarHBondContact OG-N 3.28Å; D621-K623 PolarHBondContact O-N 2.87Å; D621-K623 VanDerWaalsContact OD1-CB 3.28Å; D621-K623 WeakPolarHBondContact OD1-CB 3.21Å; D621-K623 PolarHBondContact OD1-N 2.69Å; D621-R624 HydrophobicContact CB-CB 4.44Å; D621-R624 HydrophobicContact CB-CG 4.2Å; D621-R624 PolarHBondContact O-N 3.49Å; D621-R624 WeakPolarHBondContact OD2-CD 3.21Å; D621-R624 WeakPolarHBondContact OD2-CG 3.4Å; D621-R624 IonicContact OD2-CZ 3.68Å; D621-R624 IonicContact OD2-NE 2.74Å; D621-R624 PolarHBondContact OD2-NE 2.76Å
622	R	75.4	Confident	90	Very high	174 Å²	174	46.6 Å²	46.6	66%	0.657	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-11.5	-178	-63.1	-175.4	-176.1	177	5.4	113.7	D288 A650	D288-R622 IonicContact OD2-CZ 3.07Å; D288-R622 IonicContact OD2-NH1 3.65Å; D288-R622 PolarHBondContact OD2-NH1 2.65Å; R622-A650 VanDerWaalsContact O-CB 3.26Å; R622-A650 WeakPolarHBondContact O-CB 3.32Å
623	K	80.8	Confident	90	Very high	143 Å²	143	46.6 Å²	46.6	62%	0.622	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83	-17.2	174.2	-55.7	-174.8	178.1	177.5	0	113.2	D621 A650 F651	D621-K623 PolarHBondContact O-N 2.87Å; D621-K623 VanDerWaalsContact OD1-CB 3.28Å; D621-K623 WeakPolarHBondContact OD1-CB 3.21Å; D621-K623 PolarHBondContact OD1-N 2.69Å; K623-A650 VanDerWaalsContact C-CB 3.42Å; K623-A650 VanDerWaalsContact O-CB 3.25Å; K623-A650 WeakPolarHBondContact O-CB 3.45Å; K623-A650 PolarHBondContact O-N 3.33Å; K623-F651 HydrophobicContact CB-CE2 3.91Å; K623-F651 HydrophobicContact CG-CE2 3.9Å; K623-F651 HydrophobicContact CG-CZ 4.3Å
624	R	86.4	Confident	89.8	Confident	106 Å²	106	46.3 Å²	46.3	40%	0.4	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	145.8	-177.3	-62.7	174.3	-167.7	-117.7	3.4	112.2	S618 D621 E647	S618-R624 PolarHBondContact N-O 2.91Å; D621-R624 HydrophobicContact CB-CB 4.44Å; D621-R624 HydrophobicContact CB-CG 4.2Å; D621-R624 PolarHBondContact O-N 3.49Å; D621-R624 WeakPolarHBondContact OD2-CD 3.21Å; D621-R624 WeakPolarHBondContact OD2-CG 3.4Å; D621-R624 IonicContact OD2-CZ 3.68Å; D621-R624 IonicContact OD2-NE 2.74Å; D621-R624 PolarHBondContact OD2-NE 2.76Å; R624-E647 WeakPolarHBondContact CD-OE1 3.31Å; R624-E647 WeakPolarHBondContact CG-OE1 3.15Å; R624-E647 IonicContact CZ-OE1 3.87Å; R624-E647 IonicContact NE-OE1 3.75Å; R624-E647 IonicContact NH1-OE1 2.7Å; R624-E647 PolarHBondContact NH1-OE1 2.86Å; R624-E647 IonicContact NH1-OE2 3.44Å; R624-E647 PolarHBondContact NH1-OE2 3.28Å
625	A	89.7	Confident	89.9	Confident	1 Å²	1	46 Å²	46	1%	0.008	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	163	167.1	0	0	0	0	0	110.1	I615 A616 K617 E647 C648 A650	I615-A625 HydrophobicContact CG2-CB 3.84Å; A616-A625 CarbonylContact O-C 3.58Å; A616-A625 VanDerWaalsContact O-CA 3.28Å; A616-A625 WeakPolarHBondContact O-CA 3.41Å; A616-A625 WeakPolarHBondContact O-CB 3.05Å; K617-A625 HydrophobicContact CG-CB 4.45Å; A625-E647 CarbonylContact O-C 3.26Å; A625-C648 VanDerWaalsContact C-SG 3.51Å; A625-C648 PolarHBondContact N-O 3.33Å; A625-C648 PolarHBondContact O-N 2.85Å; A625-C648 VanDerWaalsContact O-O 3.12Å; A625-C648 PolarHBondContact O-SG 3.44Å; A625-A650 HydrophobicContact CB-CB 4.34Å
626	Y	92.4	Very high	89.7	Confident	4 Å²	4	49.1 Å²	49.1	2%	0.016	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	121.4	176.5	-62.1	-80.6	0	0	0	109.3	I615 A616 T646 E647 V824 H829	I615-Y626 WeakPolarHBondContact CA-O 3.2Å; A616-Y626 PolarHBondContact N-O 3.38Å; A616-Y626 PolarHBondContact O-N 3.06Å; Y626-T646 WeakPolarHBondContact CA-O 3.44Å; Y626-E647 HydrophobicContact CD1-CB 4.07Å; Y626-E647 HydrophobicContact CD1-CG 4.15Å; Y626-E647 HydrophobicContact CE1-CB 3.9Å; Y626-E647 HydrophobicContact CE1-CG 3.76Å; Y626-E647 PolarHBondContact OH-OE2 3.27Å; Y626-V824 HydrophobicContact CD1-CG1 3.54Å; Y626-V824 HydrophobicContact CD2-CB 4.45Å; Y626-V824 HydrophobicContact CD2-CG1 3.82Å; Y626-V824 HydrophobicContact CE1-CG1 3.84Å; Y626-V824 HydrophobicContact CE2-CG1 4.1Å; Y626-V824 HydrophobicContact CG-CB 4.22Å; Y626-V824 HydrophobicContact CG-CG1 3.51Å; Y626-H829 PolarHBondContact OH-O 3.49Å
627	G	92.9	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	-92.9	126.8	171.6	0	0	0	0	0	109.5	V645 T646	G627-V645 WeakPolarHBondContact O-CA 3.31Å; G627-V645 WeakPolarHBondContact O-CG1 3.47Å; G627-T646 PolarHBondContact N-O 3.04Å; G627-T646 PolarHBondContact O-N 3.49Å
628	A	95.7	Very high	89.5	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	126	177.7	0	0	0	0	0	110.4	F613 D614 T644 V645 A817 L820 A821	F613-A628 VanDerWaalsContact CD2-O 3.26Å; F613-A628 WeakPolarHBondContact CD2-O 3.46Å; D614-A628 PolarHBondContact N-O 2.78Å; D614-A628 PolarHBondContact O-N 3.4Å; A628-T644 WeakPolarHBondContact CA-O 3.5Å; A628-V645 HydrophobicContact CB-CG1 4.46Å; A628-V645 HydrophobicContact CB-CG2 4.04Å; A628-A817 WeakPolarHBondContact CB-O 3.29Å; A628-A817 WeakPolarHBondContact O-CB 3.49Å; A628-L820 HydrophobicContact CB-CB 4.03Å; A628-L820 HydrophobicContact CB-CD2 4.07Å; A628-L820 HydrophobicContact CB-CG 3.85Å; A628-A821 HydrophobicContact CB-CB 3.77Å
629	L	97.5	Very high	89.6	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	130.9	177.7	-177.3	147.3	0	0	0	109.9	I611 G612 F613 A631 S643 T644 L658 M661 I662 A665 F682	I611-L629 HydrophobicContact CG2-CD1 3.77Å; I611-L629 HydrophobicContact CG2-CD2 4.06Å; I611-L629 HydrophobicContact CG2-CG 3.72Å; G612-L629 WeakPolarHBondContact O-CA 3.49Å; F613-L629 HydrophobicContact CD2-CB 4.13Å; L629-A631 HydrophobicContact CD2-CB 4.32Å; L629-S643 WeakPolarHBondContact O-CA 3.28Å; L629-T644 HydrophobicContact CB-CG2 4.1Å; L629-T644 HydrophobicContact CD2-CG2 4.21Å; L629-T644 PolarHBondContact N-O 2.89Å; L629-T644 PolarHBondContact O-N 3.15Å; L629-L658 HydrophobicContact CD1-CD1 3.81Å; L629-M661 HydrophobicContact CB-CB 3.97Å; L629-M661 HydrophobicContact CB-CE 4.3Å; L629-M661 HydrophobicContact CB-SD 4.05Å; L629-M661 HydrophobicContact CD1-CB 3.96Å; L629-M661 HydrophobicContact CG-CB 4.38Å; L629-I662 HydrophobicContact CD1-CG1 3.64Å; L629-A665 HydrophobicContact CD2-CB 4.14Å; L629-F682 HydrophobicContact CD1-CE2 4.34Å
630	I	98.6	Very high	90.2	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	133.6	174.8	-51.6	-62.7	0	0	0	108.4	I611 G612 Y641 F642 V813 Y816 A817 L820 Y842	I611-I630 CarbonylContact C-O 3.51Å; I611-I630 VanDerWaalsContact CA-O 3.27Å; I611-I630 WeakPolarHBondContact CA-O 3.4Å; G612-I630 PolarHBondContact N-O 3.03Å; G612-I630 PolarHBondContact O-N 3.46Å; I630-Y641 HydrophobicContact CG2-CD1 3.99Å; I630-F642 CarbonylContact C-O 3.59Å; I630-F642 WeakPolarHBondContact CA-O 3.45Å; I630-V813 HydrophobicContact CG2-CG1 4.4Å; I630-Y816 HydrophobicContact CG2-CD2 4.48Å; I630-A817 HydrophobicContact CG1-CB 3.88Å; I630-A817 VanDerWaalsContact CG1-N 3.34Å; I630-L820 HydrophobicContact CD1-CD2 3.78Å; I630-Y842 HydrophobicContact CD1-CE1 4.39Å
631	A	98.6	Very high	91.1	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	141.4	177.7	0	0	0	0	0	111.7	M609 T610 I611 L629 Y641 F642 A665	M609-A631 HydrophobicContact CE-CB 3.6Å; M609-A631 HydrophobicContact CG-CB 4.42Å; T610-A631 CarbonylContact O-C 3.47Å; T610-A631 WeakPolarHBondContact O-CA 3.5Å; I611-A631 HydrophobicContact CG1-CB 4.17Å; L629-A631 HydrophobicContact CD2-CB 4.32Å; A631-Y641 CarbonylContact O-C 3.51Å; A631-Y641 WeakPolarHBondContact O-CA 3.13Å; A631-Y641 WeakPolarHBondContact O-CB 3.38Å; A631-F642 PolarHBondContact N-O 3.1Å; A631-F642 PolarHBondContact O-N 3.23Å; A631-A665 HydrophobicContact CB-CB 3.87Å
632	S	98.4	Very high	91.9	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.007	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	144.7	172.9	68.6	0	0	0	0	112.6	T610 D634	T610-S632 PolarHBondContact N-OG 3.1Å; T610-S632 PolarHBondContact O-N 2.7Å; S632-D634 PolarHBondContact O-N 3.41Å
633	M	96.9	Very high	93	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.128	C	C	.	.	S	Bend	trans	-103.3	65.5	-177.8	-63.7	-55.3	170.5	0	0	112.7	N638 T640 F642 A665 Q668 Y669 H673	M633-N638 WeakPolarHBondContact O-CB 3.38Å; M633-T640 PolarHBondContact N-O 2.72Å; M633-F642 HydrophobicContact CE-CB 3.31Å; M633-F642 HydrophobicContact CE-CG 4.02Å; M633-A665 WeakPolarHBondContact CE-O 3.42Å; M633-Q668 HydrophobicContact CE-CB 3.89Å; M633-Q668 HydrophobicContact CE-CG 3.93Å; M633-Y669 WeakPolarHBondContact SD-CA 3.42Å; M633-Y669 WeakPolarHBondContact SD-CB 3.35Å; M633-Y669 HydrophobicContact SD-CD2 3.61Å; M633-Y669 HydrophobicContact SD-CG 3.93Å; M633-H673 PolarHBondContact O-CE1 2.85Å; M633-H673 PolarHBondContact O-NE2 2.75Å
634	D	92.1	Very high	93.8	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.101	C	C	.	.			trans	52.7	81.4	-175.2	-158.5	-22.5	0	0	0	113.6	G607 S632 Q636 Q637 N638 Y669	G607-D634 WeakPolarHBondContact CA-OD2 3.46Å; G607-D634 PolarHBondContact N-OD2 3.3Å; S632-D634 PolarHBondContact O-N 3.41Å; D634-Q636 PolarHBondContact O-N 2.73Å; D634-Q636 PolarHBondContact OD1-N 3.2Å; D634-Q637 PolarHBondContact O-N 3.38Å; D634-N638 CarbonylContact C-O 3.56Å; D634-N638 PolarHBondContact O-N 2.94Å; D634-N638 VanDerWaalsContact O-O 3.11Å; D634-Y669 HydrophobicContact CB-CE2 3.94Å; D634-Y669 WeakPolarHBondContact CB-OH 3.45Å; D634-Y669 PolarHBondContact OD2-OH 2.65Å
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	-63.7	-9.7	-173.8	-58.1	176.6	0	0	0	114.5	M600 L603 Y641 M797 L800	M600-L635 HydrophobicContact CE-CB 4.28Å; M600-L635 HydrophobicContact CE-CD1 4.45Å; M600-L635 HydrophobicContact CE-CD2 3.92Å; M600-L635 HydrophobicContact CE-CG 4.44Å; M600-L635 HydrophobicContact SD-CB 4.02Å; M600-L635 HydrophobicContact SD-CD1 4.3Å; L603-L635 HydrophobicContact CD2-CB 3.89Å; L635-Y641 HydrophobicContact CD2-CE2 3.91Å; L635-M797 HydrophobicContact CD1-CE 3.78Å; L635-L800 HydrophobicContact CD1-CD1 3.74Å
636	Q	86.8	Confident	94.4	Very high	100 Å²	100	18.1 Å²	18.1	47%	0.467	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-29.4	170.6	-172.8	179.7	-2.2	0	0	112.1	S606 D634	S606-Q636 PolarHBondContact OG-OE1 3.07Å; S606-Q636 VanDerWaalsContact OG-OE1 3.07Å; D634-Q636 PolarHBondContact O-N 2.73Å; D634-Q636 PolarHBondContact OD1-N 3.2Å
637	Q	86.7	Confident	94.3	Very high	127 Å²	127	21 Å²	21	59%	0.593	11%	0.107	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.1	-37.8	-175.9	-58.7	-166.1	-28.7	0	0	112.8	D634	D634-Q637 PolarHBondContact O-N 3.38Å
638	N	85.9	Confident	93.9	Very high	38 Å²	38	22 Å²	22	20%	0.203	11%	0.114	C	C	.	.			trans	-139	109.1	-173.7	166.4	0.5	0	0	0	108.6	M633 D634 T640 E672	M633-N638 WeakPolarHBondContact O-CB 3.38Å; D634-N638 CarbonylContact C-O 3.56Å; D634-N638 PolarHBondContact O-N 2.94Å; D634-N638 VanDerWaalsContact O-O 3.11Å; N638-T640 PolarHBondContact O-N 2.9Å; N638-T640 WeakPolarHBondContact OD1-CB 3.12Å; N638-T640 WeakPolarHBondContact OD1-CG2 3.29Å; N638-T640 PolarHBondContact OD1-N 2.86Å; N638-T640 PolarHBondContact OD1-OG1 3.44Å; N638-E672 PolarHBondContact ND2-OE2 2.95Å
639	S	89.8	Confident	93.1	Very high	18 Å²	18	24.4 Å²	24.4	13%	0.126	13%	0.13	C	C	.	.			trans	-76.5	14.3	-167.7	67.5	0	0	0	0	115	T597	T597-S639 VanDerWaalsContact CB-OG 3.29Å; T597-S639 WeakPolarHBondContact CB-OG 3.39Å; T597-S639 PolarHBondContact OG1-O 2.96Å; T597-S639 VanDerWaalsContact OG1-O 3.1Å; T597-S639 PolarHBondContact OG1-OG 2.59Å
640	T	95.1	Very high	91.8	Very high	26 Å²	26	24.6 Å²	24.6	16%	0.16	13%	0.132	C	C	.	.			trans	-101.2	170.4	-169.8	70.5	0	0	0	0	113.9	M633 N638 K838	M633-T640 PolarHBondContact N-O 2.72Å; N638-T640 PolarHBondContact O-N 2.9Å; N638-T640 WeakPolarHBondContact OD1-CB 3.12Å; N638-T640 WeakPolarHBondContact OD1-CG2 3.29Å; N638-T640 PolarHBondContact OD1-N 2.86Å; N638-T640 PolarHBondContact OD1-OG1 3.44Å; T640-K838 PolarHBondContact OG1-NZ 2.67Å
641	Y	98.2	Very high	90.1	Very high	6 Å²	6	31.9 Å²	31.9	2%	0.024	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	162.1	-178.4	-65.7	-103.9	0	0	0	110.8	I630 A631 L635 Y802 V813 K838 F840	I630-Y641 HydrophobicContact CG2-CD1 3.99Å; A631-Y641 CarbonylContact O-C 3.51Å; A631-Y641 WeakPolarHBondContact O-CA 3.13Å; A631-Y641 WeakPolarHBondContact O-CB 3.38Å; L635-Y641 HydrophobicContact CD2-CE2 3.91Å; Y641-Y802 HydrophobicContact CE2-CE2 4.4Å; Y641-V813 HydrophobicContact CD1-CG1 4.21Å; Y641-V813 HydrophobicContact CE1-CG1 3.74Å; Y641-K838 WeakPolarHBondContact O-CE 3.25Å; Y641-F840 HydrophobicContact CD2-CE1 4.14Å; Y641-F840 HydrophobicContact CD2-CE2 4.25Å; Y641-F840 AromaticContact CD2-CZ 3.39Å; Y641-F840 HydrophobicContact CD2-CZ 3.39Å; Y641-F840 AromaticContact CE2-CZ 3.94Å; Y641-F840 HydrophobicContact CE2-CZ 3.94Å; Y641-F840 HydrophobicContact CG-CE1 4.33Å; Y641-F840 AromaticContact CG-CZ 3.99Å; Y641-F840 HydrophobicContact CG-CZ 3.99Å
642	F	98.5	Very high	88.5	Confident	2 Å²	2	35.6 Å²	35.6	1%	0.009	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	145.4	169.7	174.3	-96.8	0	0	0	109	I630 A631 M633 T644 K664 A665 Q668 E837 K838	I630-F642 CarbonylContact C-O 3.59Å; I630-F642 WeakPolarHBondContact CA-O 3.45Å; A631-F642 PolarHBondContact N-O 3.1Å; A631-F642 PolarHBondContact O-N 3.23Å; M633-F642 HydrophobicContact CE-CB 3.31Å; M633-F642 HydrophobicContact CE-CG 4.02Å; F642-T644 HydrophobicContact CD1-CG2 4.44Å; F642-T644 HydrophobicContact CE1-CG2 3.66Å; F642-T644 HydrophobicContact CZ-CG2 4.4Å; F642-K664 HydrophobicContact CE1-CB 4.13Å; F642-K664 HydrophobicContact CZ-CB 3.9Å; F642-A665 HydrophobicContact CD1-CB 3.65Å; F642-A665 HydrophobicContact CE1-CB 3.87Å; F642-Q668 HydrophobicContact CD2-CB 4Å; F642-Q668 HydrophobicContact CD2-CG 3.77Å; F642-Q668 HydrophobicContact CE2-CB 4.2Å; F642-Q668 HydrophobicContact CE2-CG 4.27Å; F642-Q668 HydrophobicContact CG-CB 4.48Å; F642-Q668 HydrophobicContact CG-CG 4.43Å; F642-E837 CarbonylContact C-O 3.22Å; F642-E837 WeakPolarHBondContact CA-O 3.48Å; F642-E837 HydrophobicContact CD2-CB 3.9Å; F642-E837 HydrophobicContact CE2-CB 3.67Å; F642-E837 HydrophobicContact CE2-CG 3.99Å; F642-E837 VanDerWaalsContact CE2-OE2 3.29Å; F642-E837 WeakPolarHBondContact CE2-OE2 3.39Å; F642-E837 HydrophobicContact CZ-CB 4.46Å; F642-E837 HydrophobicContact CZ-CG 4.36Å; F642-K838 HydrophobicContact CD2-CD 4.49Å
643	S	98.1	Very high	86.6	Confident	2 Å²	2	38.4 Å²	38.4	1%	0.014	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	126.2	-175	61.2	0	0	0	0	111.3	L629 E837	L629-S643 WeakPolarHBondContact O-CA 3.28Å; S643-E837 PolarHBondContact N-O 3.48Å; S643-E837 WeakPolarHBondContact O-CG 3.3Å; S643-E837 PolarHBondContact OG-O 3.14Å
644	T	97.4	Very high	84.9	Confident	8 Å²	8	40.5 Å²	40.5	5%	0.049	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	151.9	-178.9	-177.6	0	0	0	0	110.1	A628 L629 F642 M661 K664	A628-T644 WeakPolarHBondContact CA-O 3.5Å; L629-T644 HydrophobicContact CB-CG2 4.1Å; L629-T644 HydrophobicContact CD2-CG2 4.21Å; L629-T644 PolarHBondContact N-O 2.89Å; L629-T644 PolarHBondContact O-N 3.15Å; F642-T644 HydrophobicContact CD1-CG2 4.44Å; F642-T644 HydrophobicContact CE1-CG2 3.66Å; F642-T644 HydrophobicContact CZ-CG2 4.4Å; T644-M661 HydrophobicContact CG2-CB 3.56Å; T644-M661 HydrophobicContact CG2-CG 3.64Å; T644-M661 HydrophobicContact CG2-SD 3.99Å; T644-K664 PolarHBondContact OG1-NZ 3.08Å
645	V	95.8	Very high	83.4	Confident	11 Å²	11	41 Å²	41	7%	0.067	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	147.1	-179.6	-168.1	0	0	0	0	109.6	G627 A628 L820 V824	G627-V645 WeakPolarHBondContact O-CA 3.31Å; G627-V645 WeakPolarHBondContact O-CG1 3.47Å; A628-V645 HydrophobicContact CB-CG1 4.46Å; A628-V645 HydrophobicContact CB-CG2 4.04Å; V645-L820 HydrophobicContact CG2-CD1 3.74Å; V645-L820 HydrophobicContact CG2-CD2 3.53Å; V645-L820 HydrophobicContact CG2-CG 3.47Å; V645-L820 VanDerWaalsContact CG2-CG 3.47Å; V645-V824 HydrophobicContact CG1-CB 4.42Å; V645-V824 HydrophobicContact CG1-CG1 4.34Å; V645-V824 HydrophobicContact CG1-CG2 4.07Å; V645-V824 HydrophobicContact CG2-CG2 4.13Å
646	T	93	Very high	81.9	Confident	30 Å²	30	47 Å²	47	18%	0.184	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	155.3	170.4	-166.3	0	0	0	0	110.7	Y626 G627 T657 M661	Y626-T646 WeakPolarHBondContact CA-O 3.44Å; G627-T646 PolarHBondContact N-O 3.04Å; G627-T646 PolarHBondContact O-N 3.49Å; T646-T657 WeakPolarHBondContact CG2-OG1 3.49Å; T646-M661 HydrophobicContact CG2-CE 3.48Å; T646-M661 VanDerWaalsContact CG2-CE 3.48Å; T646-M661 HydrophobicContact CG2-SD 3.74Å
647	E	90.7	Very high	81.6	Confident	64 Å²	64	44.7 Å²	44.7	30%	0.299	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	149.3	167.4	-163.5	171.5	127.7	0	0	109.9	R624 A625 Y626	R624-E647 WeakPolarHBondContact CD-OE1 3.31Å; R624-E647 WeakPolarHBondContact CG-OE1 3.15Å; R624-E647 IonicContact CZ-OE1 3.87Å; R624-E647 IonicContact NE-OE1 3.75Å; R624-E647 IonicContact NH1-OE1 2.7Å; R624-E647 PolarHBondContact NH1-OE1 2.86Å; R624-E647 IonicContact NH1-OE2 3.44Å; R624-E647 PolarHBondContact NH1-OE2 3.28Å; A625-E647 CarbonylContact O-C 3.26Å; Y626-E647 HydrophobicContact CD1-CB 4.07Å; Y626-E647 HydrophobicContact CD1-CG 4.15Å; Y626-E647 HydrophobicContact CE1-CB 3.9Å; Y626-E647 HydrophobicContact CE1-CG 3.76Å; Y626-E647 PolarHBondContact OH-OE2 3.27Å
648	C	84.1	Confident	81.7	Confident	21 Å²	21	38.8 Å²	38.8	14%	0.142	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	165.1	177.6	56.4	0	0	0	0	110.8	A625	A625-C648 VanDerWaalsContact C-SG 3.51Å; A625-C648 PolarHBondContact N-O 3.33Å; A625-C648 PolarHBondContact O-N 2.85Å; A625-C648 VanDerWaalsContact O-O 3.12Å; A625-C648 PolarHBondContact O-SG 3.44Å
649	S	79.3	Confident	82.1	Confident	50 Å²	50	38.4 Å²	38.4	35%	0.35	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	136.6	176.3	176.9	0	0	0	0	110.7	F651 D652	S649-F651 PolarHBondContact O-N 3.34Å; S649-F651 PolarHBondContact OG-N 2.99Å; S649-D652 WeakPolarHBondContact CB-O 3.42Å; S649-D652 CarbonylContact O-C 3.58Å; S649-D652 VanDerWaalsContact O-O 3.04Å; S649-D652 PolarHBondContact OG-N 3.25Å
650	A	70.3	Confident	82.3	Confident	4 Å²	4	40.9 Å²	40.9	3%	0.033	23%	0.225	C	C	.	.	S	Bend	trans	-75.7	-2.6	172.2	0	0	0	0	0	113.4	K617 R622 K623 A625	K617-A650 HydrophobicContact CD-CB 4.21Å; K617-A650 PolarHBondContact NZ-O 3.46Å; R622-A650 VanDerWaalsContact O-CB 3.26Å; R622-A650 WeakPolarHBondContact O-CB 3.32Å; K623-A650 VanDerWaalsContact C-CB 3.42Å; K623-A650 VanDerWaalsContact O-CB 3.25Å; K623-A650 WeakPolarHBondContact O-CB 3.45Å; K623-A650 PolarHBondContact O-N 3.33Å; A625-A650 HydrophobicContact CB-CB 4.34Å
651	F	61.7	Low	82.3	Confident	153 Å²	153	39.9 Å²	39.9	67%	0.671	22%	0.218	S	C	*	.	S	Bend	trans	-111.3	-40.6	177	-52.8	-74.1	0	0	0	112.1	K623 S649	K623-F651 HydrophobicContact CB-CE2 3.91Å; K623-F651 HydrophobicContact CG-CE2 3.9Å; K623-F651 HydrophobicContact CG-CZ 4.3Å; S649-F651 PolarHBondContact O-N 3.34Å; S649-F651 PolarHBondContact OG-N 2.99Å
652	D	64.6	Low	82.3	Confident	79 Å²	79	39.8 Å²	39.8	42%	0.422	22%	0.218	S	C	.	.			trans	-104.1	97.7	171.3	-177.3	13.5	0	0	0	109.8	S649 L654	S649-D652 WeakPolarHBondContact CB-O 3.42Å; S649-D652 CarbonylContact O-C 3.58Å; S649-D652 VanDerWaalsContact O-O 3.04Å; S649-D652 PolarHBondContact OG-N 3.25Å; D652-L654 WeakPolarHBondContact OD1-CB 3.36Å; D652-L654 PolarHBondContact OD1-N 3.07Å; D652-L654 VanDerWaalsContact OD1-N 3.12Å
653	V	59.4	Low	82.2	Confident	59 Å²	59	40 Å²	40	36%	0.358	22%	0.22	S	C	.	.			trans	-94.3	-0.2	-175.9	-169.5	0	0	0	0	110.7	I615 A655	I615-V653 HydrophobicContact CD1-CG1 3.46Å; I615-V653 VanDerWaalsContact CD1-CG1 3.46Å; V653-A655 PolarHBondContact O-N 3.18Å
654	L	61.3	Low	82.2	Confident	44 Å²	44	43.1 Å²	43.1	23%	0.23	23%	0.234	C	C	.	.	S	Bend	trans	-86.6	72.6	-172.4	-64.1	168.4	0	0	0	111.8	D652 N656 Q694 F698	D652-L654 WeakPolarHBondContact OD1-CB 3.36Å; D652-L654 PolarHBondContact OD1-N 3.07Å; D652-L654 VanDerWaalsContact OD1-N 3.12Å; L654-N656 VanDerWaalsContact C-N 3.26Å; L654-N656 PolarHBondContact O-N 2.96Å; L654-Q694 HydrophobicContact CD1-CB 4.43Å; L654-Q694 HydrophobicContact CD2-CB 4.25Å; L654-F698 HydrophobicContact CB-CB 4.41Å; L654-F698 HydrophobicContact CD1-CD2 3.78Å; L654-F698 HydrophobicContact CD1-CE2 4.22Å; L654-F698 HydrophobicContact CD1-CG 4.46Å; L654-F698 HydrophobicContact CD2-CB 4.42Å; L654-F698 HydrophobicContact CD2-CD2 4.45Å
655	A	60	Low	82.2	Confident	12 Å²	12	42.7 Å²	42.7	10%	0.099	23%	0.231	C	C	.	.			trans	52.6	3.9	143.7	0	0	0	0	0	122.1	V653 T657 L658 E699	V653-A655 PolarHBondContact O-N 3.18Å; A655-T657 PolarHBondContact O-N 2.98Å; A655-L658 HydrophobicContact CB-CB 3.82Å; A655-L658 HydrophobicContact CB-CD2 4.01Å; A655-L658 VanDerWaalsContact O-CB 3.26Å; A655-L658 WeakPolarHBondContact O-CB 3.16Å; A655-L658 PolarHBondContact O-N 3.41Å; A655-E699 HydrophobicContact CB-CB 4.32Å; A655-E699 HydrophobicContact CB-CG 3.55Å
656	N	64	Low	82.4	Confident	134 Å²	134	42.4 Å²	42.4	72%	0.717	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-25.8	174	-81.6	-46	0	0	0	113.1	L654	L654-N656 VanDerWaalsContact C-N 3.26Å; L654-N656 PolarHBondContact O-N 2.96Å
657	T	79.6	Confident	82.6	Confident	51 Å²	51	47.9 Å²	47.9	31%	0.313	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-0.4	174.9	59.8	0	0	0	0	114.9	T646 A655	T646-T657 WeakPolarHBondContact CG2-OG1 3.49Å; A655-T657 PolarHBondContact O-N 2.98Å
658	L	89.6	Confident	82.9	Confident	3 Å²	3	47.1 Å²	47.1	2%	0.016	24%	0.243	C	C	.	.	H	α-helix	trans	-73	-46.3	179.1	176.6	56.7	0	0	0	112	F613 L629 A655 M661 I662 F682 I703	F613-L658 HydrophobicContact CD1-CD1 3.9Å; F613-L658 HydrophobicContact CD1-CD2 4.31Å; F613-L658 HydrophobicContact CD2-CD1 3.96Å; F613-L658 HydrophobicContact CE1-CD1 3.93Å; F613-L658 HydrophobicContact CE1-CD2 4.28Å; F613-L658 HydrophobicContact CE2-CD1 4.01Å; F613-L658 HydrophobicContact CG-CD1 3.95Å; F613-L658 HydrophobicContact CZ-CD1 4Å; L629-L658 HydrophobicContact CD1-CD1 3.81Å; A655-L658 HydrophobicContact CB-CB 3.82Å; A655-L658 HydrophobicContact CB-CD2 4.01Å; A655-L658 VanDerWaalsContact O-CB 3.26Å; A655-L658 WeakPolarHBondContact O-CB 3.16Å; A655-L658 PolarHBondContact O-N 3.41Å; L658-M661 HydrophobicContact CD1-CE 4.16Å; L658-M661 WeakPolarHBondContact O-CB 3.34Å; L658-M661 PolarHBondContact O-N 3.14Å; L658-I662 HydrophobicContact CD1-CD1 4.29Å; L658-I662 HydrophobicContact CD1-CG1 4.37Å; L658-I662 HydrophobicContact CG-CD1 3.99Å; L658-I662 PolarHBondContact O-N 3.4Å; L658-F682 HydrophobicContact CD1-CE2 4.42Å; L658-F682 HydrophobicContact CD1-CZ 4.12Å; L658-F682 HydrophobicContact CD2-CZ 4.09Å; L658-I703 HydrophobicContact CD2-CD1 4.03Å
659	W	93.4	Very high	83.6	Confident	30 Å²	30	46.1 Å²	46.1	11%	0.114	24%	0.236	C	C	.	.	H	α-helix	trans	-56.3	-46.4	-175.1	173.2	-101	0	0	0	114.2	M661 I662 A663 L666 K706 L707 E710	W659-M661 PolarHBondContact O-N 3.2Å; W659-M661 VanDerWaalsContact O-N 3.12Å; W659-I662 HydrophobicContact CE3-CB 4.19Å; W659-I662 HydrophobicContact CE3-CD1 4.37Å; W659-I662 HydrophobicContact CE3-CG2 4.27Å; W659-I662 HydrophobicContact CH2-CG2 4.43Å; W659-I662 HydrophobicContact CZ3-CB 4.29Å; W659-I662 HydrophobicContact CZ3-CG2 3.87Å; W659-I662 WeakPolarHBondContact O-CB 3.44Å; W659-I662 PolarHBondContact O-N 2.95Å; W659-A663 HydrophobicContact CZ2-CB 4.09Å; W659-A663 PolarHBondContact O-N 2.86Å; W659-L666 HydrophobicContact CH2-CD1 4.34Å; W659-K706 HydrophobicContact CB-CD 4.04Å; W659-K706 HydrophobicContact CD2-CB 3.61Å; W659-K706 HydrophobicContact CD2-CD 3.51Å; W659-K706 HydrophobicContact CD2-CG 4.19Å; W659-K706 HydrophobicContact CE3-CB 3.57Å; W659-K706 HydrophobicContact CE3-CD 4.05Å; W659-K706 HydrophobicContact CE3-CG 4.46Å; W659-K706 HydrophobicContact CG-CB 4.43Å; W659-K706 HydrophobicContact CG-CD 3.42Å; W659-K706 VanDerWaalsContact CG-CD 3.42Å; W659-K706 VanDerWaalsContact CH2-C 3.46Å; W659-K706 HydrophobicContact CH2-CB 3.6Å; W659-K706 WeakPolarHBondContact CH2-O 3.22Å; W659-K706 HydrophobicContact CZ2-CB 3.63Å; W659-K706 HydrophobicContact CZ3-CB 3.55Å; W659-L707 HydrophobicContact CH2-CD2 4.39Å; W659-L707 HydrophobicContact CZ3-CD2 4.4Å; W659-L707 HydrophobicContact CZ3-CG 4.25Å; W659-E710 HydrophobicContact CH2-CG 3.78Å; W659-E710 HydrophobicContact CZ2-CG 3.42Å; W659-E710 VanDerWaalsContact CZ2-CG 3.42Å
660	P	94.1	Very high	84.4	Confident	70 Å²	70	47 Å²	47	46%	0.455	24%	0.235	S	C	.	.	H	α-helix	trans	-54.7	-31.9	175.6	-28.4	36.2	0	0	0	114.3	K664	P660-K664 WeakPolarHBondContact O-CG 3.29Å; P660-K664 PolarHBondContact O-N 3.46Å
661	M	96.1	Very high	85.7	Confident	5 Å²	5	52.6 Å²	52.6	3%	0.025	26%	0.26	C	S	.	.	H	α-helix	trans	-72.9	-37.2	176.4	-66.9	-171.3	-68.8	0	0	112.5	F613 L629 T644 T646 L658 W659 A665	F613-M661 HydrophobicContact CD2-CE 4.36Å; F613-M661 HydrophobicContact CE2-CE 3.58Å; F613-M661 HydrophobicContact CZ-CE 4.18Å; L629-M661 HydrophobicContact CB-CB 3.97Å; L629-M661 HydrophobicContact CB-CE 4.3Å; L629-M661 HydrophobicContact CB-SD 4.05Å; L629-M661 HydrophobicContact CD1-CB 3.96Å; L629-M661 HydrophobicContact CG-CB 4.38Å; T644-M661 HydrophobicContact CG2-CB 3.56Å; T644-M661 HydrophobicContact CG2-CG 3.64Å; T644-M661 HydrophobicContact CG2-SD 3.99Å; T646-M661 HydrophobicContact CG2-CE 3.48Å; T646-M661 VanDerWaalsContact CG2-CE 3.48Å; T646-M661 HydrophobicContact CG2-SD 3.74Å; L658-M661 HydrophobicContact CD1-CE 4.16Å; L658-M661 WeakPolarHBondContact O-CB 3.34Å; L658-M661 PolarHBondContact O-N 3.14Å; W659-M661 PolarHBondContact O-N 3.2Å; W659-M661 VanDerWaalsContact O-N 3.12Å; M661-A665 WeakPolarHBondContact O-CB 3.45Å; M661-A665 PolarHBondContact O-N 3.16Å; M661-A665 VanDerWaalsContact O-N 3.12Å
662	I	97.3	Very high	87.3	Confident	3 Å²	3	48 Å²	48	2%	0.015	24%	0.241	C	C	.	.	H	α-helix	trans	-65.4	-47.2	172.9	-62.1	171.3	0	0	0	109.7	L629 L658 W659 K664 A665 L666 F682 I703	L629-I662 HydrophobicContact CD1-CG1 3.64Å; L658-I662 HydrophobicContact CD1-CD1 4.29Å; L658-I662 HydrophobicContact CD1-CG1 4.37Å; L658-I662 HydrophobicContact CG-CD1 3.99Å; L658-I662 PolarHBondContact O-N 3.4Å; W659-I662 HydrophobicContact CE3-CB 4.19Å; W659-I662 HydrophobicContact CE3-CD1 4.37Å; W659-I662 HydrophobicContact CE3-CG2 4.27Å; W659-I662 HydrophobicContact CH2-CG2 4.43Å; W659-I662 HydrophobicContact CZ3-CB 4.29Å; W659-I662 HydrophobicContact CZ3-CG2 3.87Å; W659-I662 WeakPolarHBondContact O-CB 3.44Å; W659-I662 PolarHBondContact O-N 2.95Å; I662-K664 PolarHBondContact O-N 3.32Å; I662-A665 PolarHBondContact O-N 3.22Å; I662-A665 VanDerWaalsContact O-N 3.11Å; I662-L666 HydrophobicContact CG2-CD1 3.95Å; I662-L666 HydrophobicContact CG2-CG 4.32Å; I662-L666 WeakPolarHBondContact O-CG 3.19Å; I662-L666 PolarHBondContact O-N 3.15Å; I662-F682 HydrophobicContact CD1-CE2 3.98Å; I662-F682 HydrophobicContact CG1-CE2 4.36Å; I662-I703 HydrophobicContact CD1-CD1 3.77Å; I662-I703 HydrophobicContact CD1-CG1 3.74Å
663	A	96.9	Very high	88.8	Confident	7 Å²	7	45.5 Å²	45.5	6%	0.058	23%	0.226	C	C	.	.	H	α-helix	trans	-60.3	-42.4	178.7	0	0	0	0	0	112.7	W659 L666 R667	W659-A663 HydrophobicContact CZ2-CB 4.09Å; W659-A663 PolarHBondContact O-N 2.86Å; A663-L666 PolarHBondContact O-N 3.13Å; A663-R667 VanDerWaalsContact O-CG 3.28Å; A663-R667 WeakPolarHBondContact O-CG 3.28Å; A663-R667 PolarHBondContact O-N 3.45Å
664	K	97.4	Very high	90.5	Very high	67 Å²	67	52.4 Å²	52.4	29%	0.291	25%	0.246	S	C	.	.	H	α-helix	trans	-58.9	-46.1	171.6	-76.5	175.8	70	-165.5	0	111.9	F642 T644 P660 I662 R667 Q668 E837	F642-K664 HydrophobicContact CE1-CB 4.13Å; F642-K664 HydrophobicContact CZ-CB 3.9Å; T644-K664 PolarHBondContact OG1-NZ 3.08Å; P660-K664 WeakPolarHBondContact O-CG 3.29Å; P660-K664 PolarHBondContact O-N 3.46Å; I662-K664 PolarHBondContact O-N 3.32Å; K664-R667 PolarHBondContact O-N 3.33Å; K664-Q668 PolarHBondContact O-N 3.01Å; K664-E837 VanDerWaalsContact CE-OE1 3.31Å; K664-E837 WeakPolarHBondContact CE-OE1 3.47Å; K664-E837 IonicContact NZ-OE1 3.96Å; K664-E837 PolarHBondContact NZ-OE1 3.35Å
665	A	98.3	Very high	92.1	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-66.6	-37.6	-179.2	0	0	0	0	0	112.6	M609 L629 A631 M633 F642 M661 I662 Q668 Y669	M609-A665 HydrophobicContact CE-CB 3.35Å; L629-A665 HydrophobicContact CD2-CB 4.14Å; A631-A665 HydrophobicContact CB-CB 3.87Å; M633-A665 WeakPolarHBondContact CE-O 3.42Å; F642-A665 HydrophobicContact CD1-CB 3.65Å; F642-A665 HydrophobicContact CE1-CB 3.87Å; M661-A665 WeakPolarHBondContact O-CB 3.45Å; M661-A665 PolarHBondContact O-N 3.16Å; M661-A665 VanDerWaalsContact O-N 3.12Å; I662-A665 PolarHBondContact O-N 3.22Å; I662-A665 VanDerWaalsContact O-N 3.11Å; A665-Q668 PolarHBondContact O-N 3.46Å; A665-Y669 WeakPolarHBondContact O-CB 3.4Å; A665-Y669 PolarHBondContact O-N 3.46Å
666	L	98.4	Very high	93.9	Very high	5 Å²	5	54.7 Å²	54.7	3%	0.026	25%	0.253	C	S	.	.	H	α-helix	trans	-64.1	-43.8	173.7	-72.5	169.5	0	0	0	112	M609 W659 I662 A663 Y669 Q670 L676 P677 I680 L707 Y711	M609-L666 HydrophobicContact CE-CD2 4.36Å; M609-L666 HydrophobicContact CE-CG 4.49Å; M609-L666 HydrophobicContact SD-CD2 3.78Å; W659-L666 HydrophobicContact CH2-CD1 4.34Å; I662-L666 HydrophobicContact CG2-CD1 3.95Å; I662-L666 HydrophobicContact CG2-CG 4.32Å; I662-L666 WeakPolarHBondContact O-CG 3.19Å; I662-L666 PolarHBondContact O-N 3.15Å; A663-L666 PolarHBondContact O-N 3.13Å; L666-Y669 WeakPolarHBondContact O-CB 3.5Å; L666-Y669 PolarHBondContact O-N 3.47Å; L666-Q670 PolarHBondContact O-N 2.91Å; L666-L676 HydrophobicContact CB-CD2 4.16Å; L666-L676 HydrophobicContact CD2-CD2 4.37Å; L666-P677 HydrophobicContact CD2-CG 3.79Å; L666-I680 HydrophobicContact CD2-CD1 4.07Å; L666-L707 HydrophobicContact CD1-CD2 3.76Å; L666-Y711 HydrophobicContact CD1-CE2 4.38Å; L666-Y711 HydrophobicContact CD2-CE2 4.27Å
667	R	97.8	Very high	95.5	Very high	144 Å²	144	48.3 Å²	48.3	54%	0.543	22%	0.218	S	C	.	.	H	α-helix	trans	-63.1	-41.2	176	-69.8	169.7	-168.3	-176.7	3.8	111.9	A663 K664 Q670 H671 E710	A663-R667 VanDerWaalsContact O-CG 3.28Å; A663-R667 WeakPolarHBondContact O-CG 3.28Å; A663-R667 PolarHBondContact O-N 3.45Å; K664-R667 PolarHBondContact O-N 3.33Å; R667-Q670 PolarHBondContact O-N 2.89Å; R667-H671 WeakPolarHBondContact O-CB 3.42Å; R667-H671 PolarHBondContact O-N 2.84Å; R667-E710 IonicContact NH2-OE1 2.93Å
668	Q	97.9	Very high	96.4	Very high	49 Å²	49	49.3 Å²	49.3	23%	0.229	23%	0.227	C	C	.	.	H	α-helix	trans	-65.2	-40.8	175.3	-172	63.1	30.6	0	0	111.9	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 3.77Å; F642-Q668 HydrophobicContact CE2-CB 4.2Å; F642-Q668 HydrophobicContact CE2-CG 4.27Å; F642-Q668 HydrophobicContact CG-CB 4.48Å; F642-Q668 HydrophobicContact CG-CG 4.43Å; K664-Q668 PolarHBondContact O-N 3.01Å; A665-Q668 PolarHBondContact O-N 3.46Å; Q668-H671 PolarHBondContact O-N 3.05Å; Q668-E672 WeakPolarHBondContact CG-OE1 3.47Å; Q668-E672 PolarHBondContact NE2-OE1 3.29Å; Q668-E672 PolarHBondContact O-N 3.08Å; Q668-E672 VanDerWaalsContact O-N 3.08Å; Q668-K838 HydrophobicContact CG-CD 4.17Å
669	Y	97.8	Very high	96.8	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-59.3	-48.4	173.3	-171.3	-72.6	0	0	0	110.7	G607 M609 M633 D634 A665 L666 H671 E672 H673 K675 P677	G607-Y669 WeakPolarHBondContact CA-OH 3.42Å; M609-Y669 HydrophobicContact CB-CD2 4.29Å; M609-Y669 HydrophobicContact CB-CE2 4.27Å; M609-Y669 HydrophobicContact CG-CD2 4.45Å; M633-Y669 WeakPolarHBondContact SD-CA 3.42Å; M633-Y669 WeakPolarHBondContact SD-CB 3.35Å; M633-Y669 HydrophobicContact SD-CD2 3.61Å; M633-Y669 HydrophobicContact SD-CG 3.93Å; D634-Y669 HydrophobicContact CB-CE2 3.94Å; D634-Y669 WeakPolarHBondContact CB-OH 3.45Å; D634-Y669 PolarHBondContact OD2-OH 2.65Å; A665-Y669 WeakPolarHBondContact O-CB 3.4Å; A665-Y669 PolarHBondContact O-N 3.46Å; L666-Y669 WeakPolarHBondContact O-CB 3.5Å; L666-Y669 PolarHBondContact O-N 3.47Å; Y669-H671 VanDerWaalsContact C-N 3.31Å; Y669-H671 PolarHBondContact O-N 3Å; Y669-E672 PolarHBondContact O-N 3.26Å; Y669-H673 HydrophobicContact CD1-CB 4.16Å; Y669-H673 HydrophobicContact CE1-CB 3.92Å; Y669-H673 AromaticContact CE1-CD2 4Å; Y669-H673 WeakPolarHBondContact O-CB 3.45Å; Y669-H673 PolarHBondContact O-N 2.59Å; Y669-K675 VanDerWaalsContact CD1-O 3.23Å; Y669-K675 WeakPolarHBondContact CD1-O 3.45Å; Y669-K675 WeakPolarHBondContact CE1-O 3.41Å; Y669-P677 HydrophobicContact CD1-CB 4.24Å; Y669-P677 VanDerWaalsContact CD1-CD 3.48Å; Y669-P677 HydrophobicContact CD1-CG 4.2Å; Y669-P677 HydrophobicContact CD2-CB 4.22Å; Y669-P677 HydrophobicContact CD2-CG 4.32Å; Y669-P677 HydrophobicContact CE1-CB 3.81Å; Y669-P677 HydrophobicContact CE1-CG 4.27Å; Y669-P677 HydrophobicContact CE2-CB 3.8Å; Y669-P677 HydrophobicContact CE2-CG 4.4Å; Y669-P677 HydrophobicContact CG-CB 4.44Å; Y669-P677 HydrophobicContact CG-CG 4.24Å
670	Q	96.9	Very high	97	Very high	69 Å²	69	51.2 Å²	51.2	32%	0.322	24%	0.235	S	C	.	.	H	α-helix	trans	-64	-34.2	178.4	-167.2	-177.7	5.4	0	0	112.9	L666 R667 R674 K675 L676	L666-Q670 PolarHBondContact O-N 2.91Å; R667-Q670 PolarHBondContact O-N 2.89Å; Q670-R674 WeakPolarHBondContact O-CA 3.34Å; Q670-R674 PolarHBondContact O-N 3.23Å; Q670-K675 WeakPolarHBondContact CA-O 3.3Å; Q670-L676 HydrophobicContact CB-CD2 4.05Å; Q670-L676 HydrophobicContact CG-CD2 4.48Å
671	H	96.6	Very high	97.2	Very high	121 Å²	121	47.9 Å²	47.9	56%	0.56	21%	0.213	S	C	*	.	H	α-helix	trans	-65.1	-45.5	175.4	-176.4	89.5	0	0	0	111.8	R667 Q668 Y669	R667-H671 WeakPolarHBondContact O-CB 3.42Å; R667-H671 PolarHBondContact O-N 2.84Å; Q668-H671 PolarHBondContact O-N 3.05Å; Y669-H671 VanDerWaalsContact C-N 3.31Å; Y669-H671 PolarHBondContact O-N 3Å
672	E	95.8	Very high	97.3	Very high	57 Å²	57	47.7 Å²	47.7	27%	0.266	21%	0.212	S	C	.	.	H	α-helix	trans	-74.5	-38.4	-179.8	-73.5	172.4	-135.4	0	0	113.2	N638 Q668 Y669 K838	N638-E672 PolarHBondContact ND2-OE2 2.95Å; Q668-E672 WeakPolarHBondContact CG-OE1 3.47Å; Q668-E672 PolarHBondContact NE2-OE1 3.29Å; Q668-E672 PolarHBondContact O-N 3.08Å; Q668-E672 VanDerWaalsContact O-N 3.08Å; Y669-E672 PolarHBondContact O-N 3.26Å; E672-K838 WeakPolarHBondContact OE1-CD 3.26Å; E672-K838 VanDerWaalsContact OE1-CE 3.26Å; E672-K838 WeakPolarHBondContact OE1-CE 3.35Å; E672-K838 IonicContact OE1-NZ 3.91Å; E672-K838 PolarHBondContact OE1-NZ 2.88Å; E672-K838 IonicContact OE2-NZ 2.72Å; E672-K838 PolarHBondContact OE2-NZ 3.25Å
673	H	95.4	Very high	97.4	Very high	25 Å²	25	47.6 Å²	47.6	12%	0.116	21%	0.211	C	C	.	.	H	α-helix	trans	-106.8	-3	-171.2	-71.6	-77.2	0	0	0	115.1	M633 Y669 K675	M633-H673 PolarHBondContact O-CE1 2.85Å; M633-H673 PolarHBondContact O-NE2 2.75Å; Y669-H673 HydrophobicContact CD1-CB 4.16Å; Y669-H673 HydrophobicContact CE1-CB 3.92Å; Y669-H673 AromaticContact CE1-CD2 4Å; Y669-H673 WeakPolarHBondContact O-CB 3.45Å; Y669-H673 PolarHBondContact O-N 2.59Å; H673-K675 HydrophobicContact CB-CG 4.12Å; H673-K675 WeakPolarHBondContact O-CG 3.4Å; H673-K675 PolarHBondContact O-N 3.33Å
674	R	95.9	Very high	97.2	Very high	204 Å²	204	47.6 Å²	47.6	77%	0.77	21%	0.21	S	C	*	.	S	Bend	trans	57.2	8.4	-173.8	-52.6	-56	-176.6	167.5	-0.5	115.7	Q670	Q670-R674 WeakPolarHBondContact O-CA 3.34Å; Q670-R674 PolarHBondContact O-N 3.23Å
675	K	95.6	Very high	96.8	Very high	92 Å²	92	44.6 Å²	44.6	40%	0.4	20%	0.197	S	C	.	.	S	Bend	trans	-144.4	154.9	-178.8	70.3	-157	176	-163.1	0	109.9	Y669 Q670 H673	Y669-K675 VanDerWaalsContact CD1-O 3.23Å; Y669-K675 WeakPolarHBondContact CD1-O 3.45Å; Y669-K675 WeakPolarHBondContact CE1-O 3.41Å; Q670-K675 WeakPolarHBondContact CA-O 3.3Å; H673-K675 HydrophobicContact CB-CG 4.12Å; H673-K675 WeakPolarHBondContact O-CG 3.4Å; H673-K675 PolarHBondContact O-N 3.33Å
676	L	97.8	Very high	95.5	Very high	13 Å²	13	47.4 Å²	47.4	7%	0.068	23%	0.226	C	C	.	.			trans	-76.7	156.9	168.9	-73.3	175.9	0	0	0	111.1	L666 Q670 S678 Y711 V714	L666-L676 HydrophobicContact CB-CD2 4.16Å; L666-L676 HydrophobicContact CD2-CD2 4.37Å; Q670-L676 HydrophobicContact CB-CD2 4.05Å; Q670-L676 HydrophobicContact CG-CD2 4.48Å; L676-S678 PolarHBondContact O-N 3.08Å; L676-Y711 HydrophobicContact CB-CD1 4.33Å; L676-Y711 HydrophobicContact CB-CE1 3.63Å; L676-Y711 HydrophobicContact CD1-CD1 3.84Å; L676-Y711 HydrophobicContact CD1-CD2 3.83Å; L676-Y711 HydrophobicContact CD1-CE1 3.83Å; L676-Y711 HydrophobicContact CD1-CE2 3.84Å; L676-Y711 HydrophobicContact CD1-CG 3.85Å; L676-Y711 HydrophobicContact CG-CE1 4.35Å; L676-V714 HydrophobicContact CD1-CG2 3.52Å; L676-V714 HydrophobicContact CG-CG2 4.43Å
677	P	97.7	Very high	94.5	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.23	C	C	.	.			trans	-69.4	129.5	177.6	25.3	-29.7	0	0	0	111.2	G607 M609 L666 Y669 R679 I680 Y711	G607-P677 CarbonylContact O-C 3.55Å; G607-P677 WeakPolarHBondContact O-CB 3.48Å; M609-P677 HydrophobicContact CB-CB 3.66Å; M609-P677 HydrophobicContact CB-CG 3.78Å; M609-P677 HydrophobicContact CG-CG 4.41Å; M609-P677 HydrophobicContact SD-CG 3.78Å; L666-P677 HydrophobicContact CD2-CG 3.79Å; Y669-P677 HydrophobicContact CD1-CB 4.24Å; Y669-P677 VanDerWaalsContact CD1-CD 3.48Å; Y669-P677 HydrophobicContact CD1-CG 4.2Å; Y669-P677 HydrophobicContact CD2-CB 4.22Å; Y669-P677 HydrophobicContact CD2-CG 4.32Å; Y669-P677 HydrophobicContact CE1-CB 3.81Å; Y669-P677 HydrophobicContact CE1-CG 4.27Å; Y669-P677 HydrophobicContact CE2-CB 3.8Å; Y669-P677 HydrophobicContact CE2-CG 4.4Å; Y669-P677 HydrophobicContact CG-CB 4.44Å; Y669-P677 HydrophobicContact CG-CG 4.24Å; P677-R679 PolarHBondContact O-N 3.49Å; P677-I680 HydrophobicContact CG-CD1 4.49Å; P677-I680 HydrophobicContact CG-CG1 4.27Å; P677-Y711 WeakPolarHBondContact CD-OH 3.43Å; P677-Y711 WeakPolarHBondContact CG-OH 3.44Å; P677-Y711 PolarHBondContact O-OH 3.3Å
678	S	96.9	Very high	93.2	Very high	71 Å²	71	44.3 Å²	44.3	50%	0.497	23%	0.226	S	C	.	.	S	Bend	trans	-66.4	-22.8	174.9	-44.5	0	0	0	0	112.9	G607 L676 Q720	G607-S678 PolarHBondContact O-N 2.99Å; G607-S678 VanDerWaalsContact O-N 3.1Å; L676-S678 PolarHBondContact O-N 3.08Å; S678-Q720 PolarHBondContact O-N 2.89Å
679	R	97.7	Very high	91.7	Very high	71 Å²	71	46 Å²	46	27%	0.268	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	133.9	-172.8	-57.2	-176.5	176.9	103.7	1.9	111.5	S606 G607 L608 M609 P677 Q720 M783	S606-R679 PolarHBondContact O-NH1 3.15Å; G607-R679 PolarHBondContact O-N 2.73Å; L608-R679 HydrophobicContact CD1-CB 3.86Å; M609-R679 PolarHBondContact N-O 2.97Å; P677-R679 PolarHBondContact O-N 3.49Å; R679-Q720 CarbonylContact C-O 3.53Å; R679-Q720 WeakPolarHBondContact CA-O 3.48Å; R679-Q720 HydrophobicContact CG-CB 4.23Å; R679-Q720 HydrophobicContact CG-CG 4.49Å; R679-M783 HydrophobicContact CB-CE 4.12Å; R679-M783 HydrophobicContact CB-SD 4.2Å; R679-M783 HydrophobicContact CG-CE 4.42Å
680	I	98.6	Very high	90.3	Very high	3 Å²	3	48.4 Å²	48.4	2%	0.015	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	124.1	177	-55.6	-178.8	0	0	0	109.5	M609 I611 L666 P677 L707 P719 Q720 L721 A722	M609-I680 HydrophobicContact CB-CG1 4.44Å; M609-I680 VanDerWaalsContact O-CA 3.3Å; M609-I680 WeakPolarHBondContact O-CA 3.39Å; M609-I680 HydrophobicContact SD-CD1 4.45Å; M609-I680 HydrophobicContact SD-CG1 4.45Å; I611-I680 HydrophobicContact CD1-CG2 3.76Å; I611-I680 HydrophobicContact CG1-CG2 4.25Å; L666-I680 HydrophobicContact CD2-CD1 4.07Å; P677-I680 HydrophobicContact CG-CD1 4.49Å; P677-I680 HydrophobicContact CG-CG1 4.27Å; I680-L707 HydrophobicContact CD1-CD1 4.17Å; I680-L707 HydrophobicContact CD1-CD2 3.74Å; I680-P719 HydrophobicContact CD1-CB 4.31Å; I680-P719 HydrophobicContact CD1-CG 3.75Å; I680-P719 HydrophobicContact CG1-CB 4.3Å; I680-P719 HydrophobicContact CG1-CG 4.23Å; I680-Q720 PolarHBondContact N-O 3.46Å; I680-L721 HydrophobicContact CB-CD1 3.97Å; I680-L721 HydrophobicContact CG2-CD1 3.85Å; I680-L721 CarbonylContact O-C 3.58Å; I680-L721 WeakPolarHBondContact O-CA 3.43Å; I680-A722 PolarHBondContact O-N 3.02Å
681	V	98.6	Very high	89.3	Confident	0 Å²	0	47 Å²	47	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	112.1	170.3	176.9	0	0	0	0	108.7	L608 M609 T610 I611 Y683 A722 I724 M783 L793	L608-V681 HydrophobicContact CD1-CB 4.4Å; L608-V681 HydrophobicContact CD1-CG2 3.86Å; M609-V681 PolarHBondContact O-N 3.34Å; T610-V681 CarbonylContact C-O 3.48Å; T610-V681 WeakPolarHBondContact CA-O 3.38Å; T610-V681 HydrophobicContact CG2-CB 4.47Å; I611-V681 PolarHBondContact N-O 2.71Å; V681-Y683 HydrophobicContact CG1-CD2 4.1Å; V681-Y683 HydrophobicContact CG1-CE1 4.41Å; V681-Y683 HydrophobicContact CG1-CE2 3.52Å; V681-A722 HydrophobicContact CG2-CB 4.47Å; V681-I724 HydrophobicContact CG1-CD1 4Å; V681-M783 HydrophobicContact CG2-CE 3.78Å; V681-M783 HydrophobicContact CG2-SD 4.22Å; V681-L793 HydrophobicContact CG2-CD2 4.09Å
682	F	98.4	Very high	88.6	Confident	1 Å²	1	41.7 Å²	41.7	0%	0.004	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	115.6	-175.2	-167.8	-73.5	0	0	0	110.5	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 4.33Å; I611-F682 HydrophobicContact CD1-CD2 4.12Å; I611-F682 HydrophobicContact CG2-CD2 3.57Å; I611-F682 HydrophobicContact CG2-CE2 3.54Å; I611-F682 HydrophobicContact CG2-CG 4.41Å; I611-F682 HydrophobicContact CG2-CZ 4.37Å; F613-F682 HydrophobicContact CB-CE1 3.96Å; F613-F682 HydrophobicContact CB-CZ 3.64Å; F613-F682 HydrophobicContact CD1-CZ 4.38Å; F613-F682 HydrophobicContact CG-CZ 4.25Å; L629-F682 HydrophobicContact CD1-CE2 4.34Å; L658-F682 HydrophobicContact CD1-CE2 4.42Å; L658-F682 HydrophobicContact CD1-CZ 4.12Å; L658-F682 HydrophobicContact CD2-CZ 4.09Å; I662-F682 HydrophobicContact CD1-CE2 3.98Å; I662-F682 HydrophobicContact CG1-CE2 4.36Å; F682-R684 HydrophobicContact CD1-CB 4.41Å; F682-R684 HydrophobicContact CE1-CB 4.13Å; F682-A722 PolarHBondContact N-O 3.36Å; F682-Y723 HydrophobicContact CB-CD2 4.19Å; F682-Y723 AromaticContact CD1-CD2 3.7Å; F682-Y723 HydrophobicContact CD1-CD2 3.7Å; F682-Y723 AromaticContact CD1-CE2 3.48Å; F682-Y723 HydrophobicContact CD1-CE2 3.48Å; F682-Y723 VanDerWaalsContact CD1-CE2 3.48Å; F682-Y723 HydrophobicContact CD1-CG 4.44Å; F682-Y723 HydrophobicContact CE1-CD2 4.33Å; F682-Y723 AromaticContact CE1-CE2 3.65Å; F682-Y723 HydrophobicContact CE1-CE2 3.65Å; F682-Y723 HydrophobicContact CG-CD2 4.03Å; F682-Y723 HydrophobicContact CG-CE2 4.16Å; F682-Y723 HydrophobicContact CZ-CE2 4.43Å; F682-I724 PolarHBondContact O-N 3.28Å
683	Y	98.3	Very high	88	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	115.2	176.4	-66.6	-78.4	0	0	0	111.7	T610 I611 G612 F613 V681 I724 V726 Y776 T794 P811 V813 C814	T610-Y683 HydrophobicContact CG2-CD2 3.76Å; T610-Y683 HydrophobicContact CG2-CE2 3.61Å; I611-Y683 PolarHBondContact O-N 3.36Å; G612-Y683 WeakPolarHBondContact CA-O 3.46Å; F613-Y683 PolarHBondContact N-O 3.03Å; F613-Y683 VanDerWaalsContact N-O 3.07Å; V681-Y683 HydrophobicContact CG1-CD2 4.1Å; V681-Y683 HydrophobicContact CG1-CE1 4.41Å; V681-Y683 HydrophobicContact CG1-CE2 3.52Å; Y683-I724 WeakPolarHBondContact CA-O 3.33Å; Y683-I724 HydrophobicContact CD1-CB 3.95Å; Y683-I724 HydrophobicContact CD1-CD1 4.23Å; Y683-I724 HydrophobicContact CD1-CG2 4.16Å; Y683-I724 HydrophobicContact CE1-CB 4.25Å; Y683-I724 HydrophobicContact CE1-CD1 3.7Å; Y683-I724 HydrophobicContact CE1-CG2 4.28Å; Y683-V726 HydrophobicContact CD1-CG2 3.73Å; Y683-V726 HydrophobicContact CG-CG2 4.26Å; Y683-Y776 HydrophobicContact CD1-CD1 4.48Å; Y683-Y776 HydrophobicContact CE1-CD1 4.33Å; Y683-Y776 HydrophobicContact CE1-CE1 4.42Å; Y683-T794 HydrophobicContact CE1-CG2 4.02Å; Y683-T794 WeakPolarHBondContact OH-CA 3.49Å; Y683-T794 PolarHBondContact OH-OG1 2.86Å; Y683-T794 VanDerWaalsContact OH-OG1 3.08Å; Y683-P811 HydrophobicContact CD1-CG 3.87Å; Y683-P811 HydrophobicContact CD2-CB 4.12Å; Y683-P811 HydrophobicContact CD2-CG 4.2Å; Y683-P811 HydrophobicContact CE1-CG 3.89Å; Y683-P811 HydrophobicContact CE2-CB 4.21Å; Y683-P811 HydrophobicContact CE2-CG 4.22Å; Y683-P811 HydrophobicContact CG-CB 4.34Å; Y683-P811 HydrophobicContact CG-CG 4.03Å; Y683-V813 HydrophobicContact CD2-CG2 4.02Å; Y683-C814 WeakPolarHBondContact CB-SG 3.45Å
684	R	94.2	Very high	87.4	Confident	8 Å²	8	45.9 Å²	45.9	3%	0.03	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	107.9	-178.7	-176	72.5	162.8	91.1	-8.1	111.1	F682 V687 L695 E699 Y723 I724 V725 V726	F682-R684 HydrophobicContact CD1-CB 4.41Å; F682-R684 HydrophobicContact CE1-CB 4.13Å; R684-V687 HydrophobicContact CG-CG2 3.53Å; R684-L695 HydrophobicContact CG-CD2 4.35Å; R684-E699 IonicContact CZ-OE1 2.74Å; R684-E699 IonicContact CZ-OE2 2.85Å; R684-E699 IonicContact NE-OE1 3.82Å; R684-E699 PolarHBondContact NE-OE1 2.83Å; R684-E699 VanDerWaalsContact NE-OE1 3.13Å; R684-E699 IonicContact NE-OE2 3.92Å; R684-E699 PolarHBondContact NE-OE2 3.07Å; R684-E699 IonicContact NH2-OE1 2.94Å; R684-E699 PolarHBondContact NH2-OE1 3.37Å; R684-E699 IonicContact NH2-OE2 2.9Å; R684-Y723 HydrophobicContact CB-CE1 3.97Å; R684-Y723 WeakPolarHBondContact CB-OH 3.44Å; R684-Y723 WeakPolarHBondContact CD-OH 3.41Å; R684-Y723 HydrophobicContact CG-CE1 4.45Å; R684-Y723 VanDerWaalsContact CG-OH 3.26Å; R684-Y723 WeakPolarHBondContact CG-OH 3.46Å; R684-I724 PolarHBondContact N-O 2.88Å; R684-V725 HydrophobicContact CB-CG2 4.37Å; R684-V726 PolarHBondContact O-N 3.45Å
685	D	87.3	Confident	87	Confident	4 Å²	4	36.4 Å²	36.4	2%	0.021	22%	0.224	C	C	.	.			trans	-86	168	171	-162.2	-7.2	0	0	0	110.4	F613 D614 V687 R728 C814	F613-D685 PolarHBondContact O-N 3.29Å; D614-D685 HydrophobicContact CB-CB 4.15Å; D685-V687 PolarHBondContact O-N 3.06Å; D685-R728 IonicContact OD1-CZ 2.72Å; D685-R728 IonicContact OD1-NH1 2.89Å; D685-R728 PolarHBondContact OD1-NH1 2.86Å; D685-R728 IonicContact OD2-CZ 3.59Å; D685-R728 IonicContact OD2-NH1 3.3Å; D685-R728 PolarHBondContact OD2-NH1 3.32Å; D685-R728 IonicContact OD2-NH2 3.15Å; D685-R728 PolarHBondContact OD2-NH2 2.95Å; D685-C814 HydrophobicContact CB-CB 4.3Å
686	G	72.6	Confident	86.6	Confident	59 Å²	59	34 Å²	34	61%	0.608	21%	0.214	S	C	*	.	S	Bend	trans	80.8	-1	166.1	0	0	0	0	0	117.5
687	V	77.2	Confident	86	Confident	19 Å²	19	37.3 Å²	37.3	12%	0.115	23%	0.229	C	C	.	.			trans	-83.9	141	-175.9	179.5	0	0	0	0	112.5	R684 D685 L692 L695 V725	R684-V687 HydrophobicContact CG-CG2 3.53Å; D685-V687 PolarHBondContact O-N 3.06Å; V687-L692 HydrophobicContact CG1-CD2 4.13Å; V687-L695 HydrophobicContact CG1-CD1 4.13Å; V687-L695 HydrophobicContact CG1-CD2 4.17Å; V687-L695 HydrophobicContact CG2-CD1 3.62Å; V687-L695 HydrophobicContact CG2-CD2 4.1Å; V687-V725 HydrophobicContact CB-CG1 4.14Å
688	S	69.3	Low	85.4	Confident	65 Å²	65	43.2 Å²	43.2	46%	0.455	26%	0.255	S	S	.	.			trans	-83.9	145.6	173.5	105.1	0	0	0	0	111.8	G690 S691	S688-G690 PolarHBondContact O-N 3.42Å; S688-G690 VanDerWaalsContact O-N 3.17Å; S688-G690 PolarHBondContact OG-N 3.26Å; S688-S691 WeakPolarHBondContact O-CB 2.93Å; S688-S691 PolarHBondContact O-N 3.3Å; S688-S691 PolarHBondContact OG-OG 3.25Å
689	S	67.5	Low	85.1	Confident	84 Å²	84	39.9 Å²	39.9	59%	0.587	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-21.1	180	54.3	0	0	0	0	114.4	S691	S689-S691 VanDerWaalsContact C-N 3.33Å
690	G	68.1	Low	84.8	Confident	51 Å²	51	36.5 Å²	36.5	53%	0.526	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-3	173.4	0	0	0	0	0	114.5	S688	S688-G690 PolarHBondContact O-N 3.42Å; S688-G690 VanDerWaalsContact O-N 3.17Å; S688-G690 PolarHBondContact OG-N 3.26Å
691	S	75.6	Confident	84.5	Confident	39 Å²	39	40.6 Å²	40.6	27%	0.273	24%	0.237	S	C	.	.	S	Bend	trans	-107.6	-0.8	-178.1	-49.6	0	0	0	0	113.2	S688 S689 K693 Q694 L695	S688-S691 WeakPolarHBondContact O-CB 2.93Å; S688-S691 PolarHBondContact O-N 3.3Å; S688-S691 PolarHBondContact OG-OG 3.25Å; S689-S691 VanDerWaalsContact C-N 3.33Å; S691-K693 PolarHBondContact O-N 3.3Å; S691-Q694 PolarHBondContact O-N 2.8Å; S691-L695 WeakPolarHBondContact O-CB 3.46Å; S691-L695 PolarHBondContact O-N 2.93Å
692	L	82.8	Confident	84.2	Confident	10 Å²	10	42.9 Å²	42.9	5%	0.052	25%	0.249	C	C	.	.	H	α-helix	trans	-62.4	-38.6	-168.9	-68.8	173.8	0	0	0	113.9	V687 L695 F696 V725 L779	V687-L692 HydrophobicContact CG1-CD2 4.13Å; L692-L695 WeakPolarHBondContact O-CB 3.3Å; L692-L695 PolarHBondContact O-N 3.31Å; L692-F696 WeakPolarHBondContact O-CB 3.25Å; L692-F696 PolarHBondContact O-N 2.85Å; L692-V725 HydrophobicContact CD2-CB 4.39Å; L692-V725 HydrophobicContact CD2-CG1 4.15Å; L692-V725 HydrophobicContact CD2-CG2 4.05Å; L692-L779 HydrophobicContact CD2-CD2 4.44Å
693	K	83.6	Confident	84	Confident	80 Å²	80	43.1 Å²	43.1	35%	0.348	25%	0.25	S	C	.	.	H	α-helix	trans	-65.7	-46.3	177.4	-176	-176.6	171	-176.1	0	111.8	D77 L79 S691 L695 F696 E697	D77-K693 HydrophobicContact CB-CB 4.19Å; D77-K693 HydrophobicContact CB-CD 3.94Å; D77-K693 WeakPolarHBondContact OD1-CD 3.35Å; D77-K693 IonicContact OD1-NZ 3.8Å; D77-K693 PolarHBondContact OD1-NZ 2.83Å; L79-K693 HydrophobicContact CB-CB 4.44Å; S691-K693 PolarHBondContact O-N 3.3Å; K693-L695 VanDerWaalsContact C-N 3.32Å; K693-L695 PolarHBondContact O-N 3.03Å; K693-F696 PolarHBondContact O-N 3.44Å; K693-E697 WeakPolarHBondContact O-CG 3.43Å; K693-E697 PolarHBondContact O-N 3.33Å
694	Q	82.8	Confident	83.9	Confident	89 Å²	89	44.5 Å²	44.5	42%	0.416	26%	0.257	S	S	.	.	H	α-helix	trans	-61	-42.1	174.2	-66.9	174.4	-17.9	0	0	111.2	L654 S691 F696 E697 F698	L654-Q694 HydrophobicContact CD1-CB 4.43Å; L654-Q694 HydrophobicContact CD2-CB 4.25Å; S691-Q694 PolarHBondContact O-N 2.8Å; Q694-F696 VanDerWaalsContact C-N 3.32Å; Q694-F696 PolarHBondContact O-N 2.99Å; Q694-E697 PolarHBondContact O-N 3.08Å; Q694-F698 HydrophobicContact CB-CD2 4.27Å; Q694-F698 WeakPolarHBondContact O-CB 3.21Å; Q694-F698 VanDerWaalsContact O-CD2 3.24Å; Q694-F698 WeakPolarHBondContact O-CD2 3.48Å; Q694-F698 PolarHBondContact O-N 3Å
695	L	85.8	Confident	84	Confident	5 Å²	5	48.7 Å²	48.7	3%	0.026	28%	0.277	C	S	.	.	H	α-helix	trans	-60.4	-40	175.3	-162.9	93.7	0	0	0	112.4	R684 V687 S691 L692 K693 E699 V700 Y723 V725 L779	R684-L695 HydrophobicContact CG-CD2 4.35Å; V687-L695 HydrophobicContact CG1-CD1 4.13Å; V687-L695 HydrophobicContact CG1-CD2 4.17Å; V687-L695 HydrophobicContact CG2-CD1 3.62Å; V687-L695 HydrophobicContact CG2-CD2 4.1Å; S691-L695 WeakPolarHBondContact O-CB 3.46Å; S691-L695 PolarHBondContact O-N 2.93Å; L692-L695 WeakPolarHBondContact O-CB 3.3Å; L692-L695 PolarHBondContact O-N 3.31Å; K693-L695 VanDerWaalsContact C-N 3.32Å; K693-L695 PolarHBondContact O-N 3.03Å; L695-E699 HydrophobicContact CD1-CG 3.83Å; L695-E699 VanDerWaalsContact CD1-OE1 3.26Å; L695-E699 WeakPolarHBondContact CD1-OE1 3.49Å; L695-E699 HydrophobicContact CG-CB 4.44Å; L695-E699 HydrophobicContact CG-CG 3.93Å; L695-E699 WeakPolarHBondContact O-CA 3.28Å; L695-E699 WeakPolarHBondContact O-CB 3.48Å; L695-E699 PolarHBondContact O-N 3.36Å; L695-V700 PolarHBondContact O-N 3.26Å; L695-Y723 HydrophobicContact CD2-CE1 3.82Å; L695-Y723 WeakPolarHBondContact CD2-OH 3.08Å; L695-V725 HydrophobicContact CD2-CG2 3.54Å; L695-L779 HydrophobicContact CD2-CD1 3.75Å
696	F	87.6	Confident	84.4	Confident	43 Å²	43	51.6 Å²	51.6	19%	0.189	29%	0.289	C	S	.	.	I	π-helix	trans	-68.7	-47.7	177.7	-176.5	-97.5	0	0	0	112.1	L79 L692 K693 Q694 V700 K701 L779	L79-F696 HydrophobicContact CD1-CB 4.31Å; L79-F696 HydrophobicContact CD1-CD1 3.93Å; L79-F696 HydrophobicContact CD1-CE1 4.45Å; L79-F696 HydrophobicContact CD1-CG 4.09Å; L79-F696 HydrophobicContact CD2-CB 3.56Å; L79-F696 HydrophobicContact CD2-CD2 4.18Å; L79-F696 HydrophobicContact CD2-CG 3.86Å; L692-F696 WeakPolarHBondContact O-CB 3.25Å; L692-F696 PolarHBondContact O-N 2.85Å; K693-F696 PolarHBondContact O-N 3.44Å; Q694-F696 VanDerWaalsContact C-N 3.32Å; Q694-F696 PolarHBondContact O-N 2.99Å; F696-V700 HydrophobicContact CD2-CB 3.94Å; F696-V700 HydrophobicContact CD2-CG1 4.06Å; F696-V700 HydrophobicContact CD2-CG2 4.09Å; F696-V700 HydrophobicContact CE2-CB 4.39Å; F696-V700 HydrophobicContact CE2-CG1 4.06Å; F696-V700 HydrophobicContact CG-CB 4.47Å; F696-V700 WeakPolarHBondContact O-CB 3.45Å; F696-V700 PolarHBondContact O-N 3.19Å; F696-K701 PolarHBondContact O-N 2.78Å; F696-L779 HydrophobicContact CD2-CB 4.18Å; F696-L779 WeakPolarHBondContact CE2-O 3.32Å
697	E	85.6	Confident	85.6	Confident	81 Å²	81	49 Å²	49	38%	0.379	26%	0.262	S	S	.	.	I	π-helix	trans	-64.4	-41	179.3	-67.7	-61.1	130.6	0	0	112.7	K693 Q694 K701	K693-E697 WeakPolarHBondContact O-CG 3.43Å; K693-E697 PolarHBondContact O-N 3.33Å; Q694-E697 PolarHBondContact O-N 3.08Å; E697-K701 VanDerWaalsContact OE1-CE 3.23Å; E697-K701 WeakPolarHBondContact OE1-CE 3.37Å; E697-K701 IonicContact OE1-NZ 3.73Å; E697-K701 PolarHBondContact OE1-NZ 3.19Å; E697-K701 WeakPolarHBondContact OE2-CE 3.35Å; E697-K701 IonicContact OE2-NZ 3.04Å; E697-K701 PolarHBondContact OE2-NZ 3.14Å
698	F	85.3	Confident	86.6	Confident	125 Å²	125	52.3 Å²	52.3	55%	0.548	27%	0.274	S	S	.	.	I	π-helix	trans	-101.8	-28.7	-173.3	-63.6	-66.5	0	0	0	115.7	L654 Q694 D702	L654-F698 HydrophobicContact CB-CB 4.41Å; L654-F698 HydrophobicContact CD1-CD2 3.78Å; L654-F698 HydrophobicContact CD1-CE2 4.22Å; L654-F698 HydrophobicContact CD1-CG 4.46Å; L654-F698 HydrophobicContact CD2-CB 4.42Å; L654-F698 HydrophobicContact CD2-CD2 4.45Å; Q694-F698 HydrophobicContact CB-CD2 4.27Å; Q694-F698 WeakPolarHBondContact O-CB 3.21Å; Q694-F698 VanDerWaalsContact O-CD2 3.24Å; Q694-F698 WeakPolarHBondContact O-CD2 3.48Å; Q694-F698 PolarHBondContact O-N 3Å; F698-D702 WeakPolarHBondContact O-CB 3.5Å
699	E	89.9	Confident	87.9	Confident	1 Å²	1	52.6 Å²	52.6	1%	0.005	27%	0.273	C	S	.	.	I	π-helix	trans	-94.8	-51.8	172.9	-47.5	-155.6	175.1	0	0	111.9	A655 R684 L695 I703 Y723	A655-E699 HydrophobicContact CB-CB 4.32Å; A655-E699 HydrophobicContact CB-CG 3.55Å; R684-E699 IonicContact CZ-OE1 2.74Å; R684-E699 IonicContact CZ-OE2 2.85Å; R684-E699 IonicContact NE-OE1 3.82Å; R684-E699 PolarHBondContact NE-OE1 2.83Å; R684-E699 VanDerWaalsContact NE-OE1 3.13Å; R684-E699 IonicContact NE-OE2 3.92Å; R684-E699 PolarHBondContact NE-OE2 3.07Å; R684-E699 IonicContact NH2-OE1 2.94Å; R684-E699 PolarHBondContact NH2-OE1 3.37Å; R684-E699 IonicContact NH2-OE2 2.9Å; L695-E699 HydrophobicContact CD1-CG 3.83Å; L695-E699 VanDerWaalsContact CD1-OE1 3.26Å; L695-E699 WeakPolarHBondContact CD1-OE1 3.49Å; L695-E699 HydrophobicContact CG-CB 4.44Å; L695-E699 HydrophobicContact CG-CG 3.93Å; L695-E699 WeakPolarHBondContact O-CA 3.28Å; L695-E699 WeakPolarHBondContact O-CB 3.48Å; L695-E699 PolarHBondContact O-N 3.36Å; E699-I703 WeakPolarHBondContact O-CB 3.35Å; E699-I703 WeakPolarHBondContact O-CD1 3.33Å; E699-I703 WeakPolarHBondContact O-CG1 3.41Å; E699-I703 PolarHBondContact O-N 3.5Å; E699-Y723 HydrophobicContact CB-CE2 4.43Å; E699-Y723 PolarHBondContact OE2-OH 2.69Å
700	V	92.1	Very high	89.2	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.251	C	S	.	.	I	π-helix	trans	-72.8	-46.6	-166.1	-176.5	0	0	0	0	111.9	L695 F696 I703 I704 Y723 L779 Y780	L695-V700 PolarHBondContact O-N 3.26Å; F696-V700 HydrophobicContact CD2-CB 3.94Å; F696-V700 HydrophobicContact CD2-CG1 4.06Å; F696-V700 HydrophobicContact CD2-CG2 4.09Å; F696-V700 HydrophobicContact CE2-CB 4.39Å; F696-V700 HydrophobicContact CE2-CG1 4.06Å; F696-V700 HydrophobicContact CG-CB 4.47Å; F696-V700 WeakPolarHBondContact O-CB 3.45Å; F696-V700 PolarHBondContact O-N 3.19Å; V700-I703 PolarHBondContact O-N 2.9Å; V700-I704 HydrophobicContact CG1-CD1 3.99Å; V700-I704 VanDerWaalsContact O-CG1 3.31Å; V700-I704 WeakPolarHBondContact O-CG1 3.41Å; V700-I704 PolarHBondContact O-N 3.32Å; V700-I704 VanDerWaalsContact O-N 3.1Å; V700-Y723 HydrophobicContact CG2-CD1 3.75Å; V700-Y723 HydrophobicContact CG2-CD2 3.91Å; V700-Y723 HydrophobicContact CG2-CE1 3.94Å; V700-Y723 HydrophobicContact CG2-CE2 4.05Å; V700-Y723 HydrophobicContact CG2-CG 3.75Å; V700-L779 HydrophobicContact CG2-CD1 4.19Å; V700-Y780 HydrophobicContact CG1-CG 4.3Å
701	K	92.1	Very high	90.6	Very high	89 Å²	89	47.7 Å²	47.7	39%	0.387	23%	0.227	S	C	.	.	H	α-helix	trans	-62.9	-44.1	176.2	-66	-175.4	-177.7	176.6	0	112	F696 E697 I703 I704 E705	F696-K701 PolarHBondContact O-N 2.78Å; E697-K701 VanDerWaalsContact OE1-CE 3.23Å; E697-K701 WeakPolarHBondContact OE1-CE 3.37Å; E697-K701 IonicContact OE1-NZ 3.73Å; E697-K701 PolarHBondContact OE1-NZ 3.19Å; E697-K701 WeakPolarHBondContact OE2-CE 3.35Å; E697-K701 IonicContact OE2-NZ 3.04Å; E697-K701 PolarHBondContact OE2-NZ 3.14Å; K701-I703 PolarHBondContact O-N 3.07Å; K701-I704 PolarHBondContact O-N 3.03Å; K701-I704 VanDerWaalsContact O-N 3.15Å; K701-E705 PolarHBondContact O-N 3.21Å
702	D	92.5	Very high	91.7	Very high	48 Å²	48	48.9 Å²	48.9	26%	0.257	24%	0.24	S	C	.	.	H	α-helix	trans	-59	-45.3	178.5	-171.8	72.3	0	0	0	112.3	F698 I704 K706	F698-D702 WeakPolarHBondContact O-CB 3.5Å; D702-I704 PolarHBondContact O-N 2.78Å; D702-K706 WeakPolarHBondContact O-CB 3.13Å; D702-K706 VanDerWaalsContact O-CG 3.31Å; D702-K706 WeakPolarHBondContact O-CG 3.33Å; D702-K706 PolarHBondContact O-N 2.83Å; D702-K706 WeakPolarHBondContact OD1-CE 3.4Å; D702-K706 IonicContact OD1-NZ 2.69Å; D702-K706 PolarHBondContact OD1-NZ 2.79Å; D702-K706 WeakPolarHBondContact OD2-CD 3.15Å; D702-K706 WeakPolarHBondContact OD2-CE 3.44Å; D702-K706 IonicContact OD2-NZ 2.76Å; D702-K706 PolarHBondContact OD2-NZ 3.15Å
703	I	94.9	Very high	92.3	Very high	5 Å²	5	55.9 Å²	55.9	3%	0.026	27%	0.265	C	S	.	.	H	α-helix	trans	-62.1	-41.7	175.1	-71.5	167.5	0	0	0	111.1	L658 I662 E699 V700 K701 L707 L721 Y723	L658-I703 HydrophobicContact CD2-CD1 4.03Å; I662-I703 HydrophobicContact CD1-CD1 3.77Å; I662-I703 HydrophobicContact CD1-CG1 3.74Å; E699-I703 WeakPolarHBondContact O-CB 3.35Å; E699-I703 WeakPolarHBondContact O-CD1 3.33Å; E699-I703 WeakPolarHBondContact O-CG1 3.41Å; E699-I703 PolarHBondContact O-N 3.5Å; V700-I703 PolarHBondContact O-N 2.9Å; K701-I703 PolarHBondContact O-N 3.07Å; I703-L707 HydrophobicContact CG2-CD1 3.65Å; I703-L707 HydrophobicContact CG2-CG 4.18Å; I703-L707 WeakPolarHBondContact O-CB 3.41Å; I703-L707 WeakPolarHBondContact O-CG 3.26Å; I703-L707 PolarHBondContact O-N 3.12Å; I703-L721 HydrophobicContact CG2-CD2 4.05Å; I703-Y723 HydrophobicContact CD1-CD2 4.28Å; I703-Y723 HydrophobicContact CD1-CE2 3.98Å
704	I	95.9	Very high	92.8	Very high	29 Å²	29	54.6 Å²	54.6	15%	0.149	26%	0.264	C	S	.	.	H	α-helix	trans	-63.8	-51	-179.8	-70.7	164.5	0	0	0	111.2	V700 K701 D702 K706 L707 K708 L721 Y780	V700-I704 HydrophobicContact CG1-CD1 3.99Å; V700-I704 VanDerWaalsContact O-CG1 3.31Å; V700-I704 WeakPolarHBondContact O-CG1 3.41Å; V700-I704 PolarHBondContact O-N 3.32Å; V700-I704 VanDerWaalsContact O-N 3.1Å; K701-I704 PolarHBondContact O-N 3.03Å; K701-I704 VanDerWaalsContact O-N 3.15Å; D702-I704 PolarHBondContact O-N 2.78Å; I704-K706 PolarHBondContact O-N 2.9Å; I704-L707 PolarHBondContact O-N 2.82Å; I704-K708 WeakPolarHBondContact O-CG 3.05Å; I704-K708 PolarHBondContact O-N 2.72Å; I704-L721 HydrophobicContact CG1-CD2 3.88Å; I704-Y780 HydrophobicContact CD1-CD1 4.11Å; I704-Y780 HydrophobicContact CD1-CD2 3.79Å; I704-Y780 HydrophobicContact CD1-CE1 4.02Å; I704-Y780 HydrophobicContact CD1-CE2 3.68Å; I704-Y780 HydrophobicContact CD1-CG 4Å; I704-Y780 HydrophobicContact CG1-CE1 4.41Å
705	E	95.6	Very high	93.4	Very high	96 Å²	96	59.2 Å²	59.2	45%	0.449	29%	0.286	S	S	.	.	H	α-helix	trans	-68.4	-36	-177.9	-59.6	-47	126.4	0	0	112.6	K701 K708 T709	K701-E705 PolarHBondContact O-N 3.21Å; E705-K708 PolarHBondContact O-N 2.86Å; E705-K708 WeakPolarHBondContact OE1-CE 3.2Å; E705-K708 IonicContact OE1-NZ 3.53Å; E705-K708 PolarHBondContact OE1-NZ 3.38Å; E705-K708 WeakPolarHBondContact OE2-CD 3.35Å; E705-K708 WeakPolarHBondContact OE2-CE 3.27Å; E705-K708 IonicContact OE2-NZ 3.46Å; E705-K708 PolarHBondContact OE2-NZ 2.73Å; E705-T709 PolarHBondContact O-N 2.93Å; E705-T709 VanDerWaalsContact O-N 3.08Å; E705-T709 PolarHBondContact O-OG1 2.91Å
706	K	96.1	Very high	93.9	Very high	65 Å²	65	63.3 Å²	63.3	28%	0.283	31%	0.307	S	S	.	.	H	α-helix	trans	-75.5	-28.8	176.2	-64.9	179.1	-175.8	160	0	112.8	W659 D702 I704 T709 E710	W659-K706 HydrophobicContact CB-CD 4.04Å; W659-K706 HydrophobicContact CD2-CB 3.61Å; W659-K706 HydrophobicContact CD2-CD 3.51Å; W659-K706 HydrophobicContact CD2-CG 4.19Å; W659-K706 HydrophobicContact CE3-CB 3.57Å; W659-K706 HydrophobicContact CE3-CD 4.05Å; W659-K706 HydrophobicContact CE3-CG 4.46Å; W659-K706 HydrophobicContact CG-CB 4.43Å; W659-K706 HydrophobicContact CG-CD 3.42Å; W659-K706 VanDerWaalsContact CG-CD 3.42Å; W659-K706 VanDerWaalsContact CH2-C 3.46Å; W659-K706 HydrophobicContact CH2-CB 3.6Å; W659-K706 WeakPolarHBondContact CH2-O 3.22Å; W659-K706 HydrophobicContact CZ2-CB 3.63Å; W659-K706 HydrophobicContact CZ3-CB 3.55Å; D702-K706 WeakPolarHBondContact O-CB 3.13Å; D702-K706 VanDerWaalsContact O-CG 3.31Å; D702-K706 WeakPolarHBondContact O-CG 3.33Å; D702-K706 PolarHBondContact O-N 2.83Å; D702-K706 WeakPolarHBondContact OD1-CE 3.4Å; D702-K706 IonicContact OD1-NZ 2.69Å; D702-K706 PolarHBondContact OD1-NZ 2.79Å; D702-K706 WeakPolarHBondContact OD2-CD 3.15Å; D702-K706 WeakPolarHBondContact OD2-CE 3.44Å; D702-K706 IonicContact OD2-NZ 2.76Å; D702-K706 PolarHBondContact OD2-NZ 3.15Å; I704-K706 PolarHBondContact O-N 2.9Å; K706-T709 WeakPolarHBondContact O-CB 3.47Å; K706-T709 PolarHBondContact O-N 2.85Å; K706-E710 PolarHBondContact O-N 2.63Å
707	L	97.6	Very high	94.3	Very high	5 Å²	5	65.8 Å²	65.8	3%	0.026	33%	0.33	C	S	.	.	H	α-helix	trans	-65.5	-44.3	168	-78.6	172.4	0	0	0	111.8	W659 L666 I680 I703 I704 T709 E710 Y711 P719 L721	W659-L707 HydrophobicContact CH2-CD2 4.39Å; W659-L707 HydrophobicContact CZ3-CD2 4.4Å; W659-L707 HydrophobicContact CZ3-CG 4.25Å; L666-L707 HydrophobicContact CD1-CD2 3.76Å; I680-L707 HydrophobicContact CD1-CD1 4.17Å; I680-L707 HydrophobicContact CD1-CD2 3.74Å; I703-L707 HydrophobicContact CG2-CD1 3.65Å; I703-L707 HydrophobicContact CG2-CG 4.18Å; I703-L707 WeakPolarHBondContact O-CB 3.41Å; I703-L707 WeakPolarHBondContact O-CG 3.26Å; I703-L707 PolarHBondContact O-N 3.12Å; I704-L707 PolarHBondContact O-N 2.82Å; L707-T709 PolarHBondContact O-N 2.78Å; L707-E710 PolarHBondContact O-N 3.43Å; L707-Y711 HydrophobicContact CD2-CD2 4.44Å; L707-Y711 HydrophobicContact CD2-CE2 3.84Å; L707-Y711 WeakPolarHBondContact O-CD2 3.24Å; L707-Y711 PolarHBondContact O-N 3.43Å; L707-Y711 VanDerWaalsContact O-N 3.09Å; L707-P719 HydrophobicContact CD1-CG 4.17Å; L707-P719 HydrophobicContact CD2-CG 4.15Å; L707-L721 HydrophobicContact CD1-CD1 4.48Å; L707-L721 HydrophobicContact CD1-CD2 4.07Å
708	K	97.1	Very high	94.8	Very high	88 Å²	88	65.3 Å²	65.3	38%	0.383	33%	0.334	S	S	.	.	H	α-helix	trans	-53.4	-44.5	170.5	-66	172.2	-170	168.8	0	110.8	I704 E705 Y711 A712 P718	I704-K708 WeakPolarHBondContact O-CG 3.05Å; I704-K708 PolarHBondContact O-N 2.72Å; E705-K708 PolarHBondContact O-N 2.86Å; E705-K708 WeakPolarHBondContact OE1-CE 3.2Å; E705-K708 IonicContact OE1-NZ 3.53Å; E705-K708 PolarHBondContact OE1-NZ 3.38Å; E705-K708 WeakPolarHBondContact OE2-CD 3.35Å; E705-K708 WeakPolarHBondContact OE2-CE 3.27Å; E705-K708 IonicContact OE2-NZ 3.46Å; E705-K708 PolarHBondContact OE2-NZ 2.73Å; K708-Y711 PolarHBondContact O-N 3.05Å; K708-A712 VanDerWaalsContact O-CB 3.23Å; K708-A712 WeakPolarHBondContact O-CB 3.35Å; K708-A712 PolarHBondContact O-N 3.16Å; K708-P718 HydrophobicContact CG-CB 4.04Å; K708-P718 HydrophobicContact CG-CG 4.15Å
709	T	96.9	Very high	95.3	Very high	71 Å²	71	60 Å²	60	44%	0.436	31%	0.311	S	S	.	.	H	α-helix	trans	-63.3	-47.8	-178.3	-56.2	0	0	0	0	113.1	E705 K706 L707 R713	E705-T709 PolarHBondContact O-N 2.93Å; E705-T709 VanDerWaalsContact O-N 3.08Å; E705-T709 PolarHBondContact O-OG1 2.91Å; K706-T709 WeakPolarHBondContact O-CB 3.47Å; K706-T709 PolarHBondContact O-N 2.85Å; L707-T709 PolarHBondContact O-N 2.78Å; T709-R713 WeakPolarHBondContact O-CG 3.44Å; T709-R713 PolarHBondContact O-N 2.92Å
710	E	96.2	Very high	95.7	Very high	27 Å²	27	62.6 Å²	62.6	13%	0.126	32%	0.324	C	S	.	.	H	α-helix	trans	-69.7	-32.5	178.8	-65.6	-69.8	174.1	0	0	113.1	W659 R667 K706 L707 R713	W659-E710 HydrophobicContact CH2-CG 3.78Å; W659-E710 HydrophobicContact CZ2-CG 3.42Å; W659-E710 VanDerWaalsContact CZ2-CG 3.42Å; R667-E710 IonicContact NH2-OE1 2.93Å; K706-E710 PolarHBondContact O-N 2.63Å; L707-E710 PolarHBondContact O-N 3.43Å; E710-R713 WeakPolarHBondContact O-CB 3.16Å; E710-R713 PolarHBondContact O-N 2.88Å; E710-R713 IonicContact OE1-CZ 3.2Å; E710-R713 IonicContact OE1-NH1 2.84Å; E710-R713 PolarHBondContact OE1-NH1 2.84Å; E710-R713 IonicContact OE2-CZ 2.82Å; E710-R713 IonicContact OE2-NH1 2.72Å; E710-R713 PolarHBondContact OE2-NH1 3.47Å
711	Y	97.5	Very high	96	Very high	5 Å²	5	62.8 Å²	62.8	2%	0.02	33%	0.325	C	S	.	.	H	α-helix	trans	-77.5	-35.9	179.7	-76.6	-116.9	0	0	0	110.8	L666 L676 P677 L707 K708 R713 V714 Q715 L716 S717 P719	L666-Y711 HydrophobicContact CD1-CE2 4.38Å; L666-Y711 HydrophobicContact CD2-CE2 4.27Å; L676-Y711 HydrophobicContact CB-CD1 4.33Å; L676-Y711 HydrophobicContact CB-CE1 3.63Å; L676-Y711 HydrophobicContact CD1-CD1 3.84Å; L676-Y711 HydrophobicContact CD1-CD2 3.83Å; L676-Y711 HydrophobicContact CD1-CE1 3.83Å; L676-Y711 HydrophobicContact CD1-CE2 3.84Å; L676-Y711 HydrophobicContact CD1-CG 3.85Å; L676-Y711 HydrophobicContact CG-CE1 4.35Å; P677-Y711 WeakPolarHBondContact CD-OH 3.43Å; P677-Y711 WeakPolarHBondContact CG-OH 3.44Å; P677-Y711 PolarHBondContact O-OH 3.3Å; L707-Y711 HydrophobicContact CD2-CD2 4.44Å; L707-Y711 HydrophobicContact CD2-CE2 3.84Å; L707-Y711 WeakPolarHBondContact O-CD2 3.24Å; L707-Y711 PolarHBondContact O-N 3.43Å; L707-Y711 VanDerWaalsContact O-N 3.09Å; K708-Y711 PolarHBondContact O-N 3.05Å; Y711-R713 VanDerWaalsContact C-N 3.29Å; Y711-R713 PolarHBondContact O-N 2.63Å; Y711-V714 CarbonylContact O-C 3.56Å; Y711-V714 VanDerWaalsContact O-CG2 3.25Å; Y711-V714 WeakPolarHBondContact O-CG2 3.44Å; Y711-V714 PolarHBondContact O-N 3.36Å; Y711-Q715 PolarHBondContact O-N 3.15Å; Y711-Q715 VanDerWaalsContact O-N 3.16Å; Y711-L716 CarbonylContact C-O 3.22Å; Y711-L716 VanDerWaalsContact C-O 3.26Å; Y711-L716 HydrophobicContact CD1-CB 4.22Å; Y711-L716 PolarHBondContact O-N 3.33Å; Y711-S717 WeakPolarHBondContact CD1-O 3.39Å; Y711-P719 HydrophobicContact CD1-CG 4.48Å; Y711-P719 HydrophobicContact CD2-CG 4.41Å; Y711-P719 HydrophobicContact CE1-CB 3.73Å; Y711-P719 HydrophobicContact CE1-CG 3.88Å; Y711-P719 HydrophobicContact CE2-CG 3.81Å
712	A	97.1	Very high	96.2	Very high	64 Å²	64	58.6 Å²	58.6	53%	0.529	31%	0.306	S	S	.	.	H	α-helix	trans	-60.8	-33.8	170.7	0	0	0	0	0	113	K708 V714 Q715	K708-A712 VanDerWaalsContact O-CB 3.23Å; K708-A712 WeakPolarHBondContact O-CB 3.35Å; K708-A712 PolarHBondContact O-N 3.16Å; A712-V714 PolarHBondContact O-N 2.8Å; A712-Q715 PolarHBondContact O-N 3.46Å
713	R	95.1	Very high	96.4	Very high	157 Å²	157	56.3 Å²	56.3	59%	0.592	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-22.4	173.2	-74.1	174.8	-177.6	160.2	3.8	113.9	T709 E710 Y711	T709-R713 WeakPolarHBondContact O-CG 3.44Å; T709-R713 PolarHBondContact O-N 2.92Å; E710-R713 WeakPolarHBondContact O-CB 3.16Å; E710-R713 PolarHBondContact O-N 2.88Å; E710-R713 IonicContact OE1-CZ 3.2Å; E710-R713 IonicContact OE1-NH1 2.84Å; E710-R713 PolarHBondContact OE1-NH1 2.84Å; E710-R713 IonicContact OE2-CZ 2.82Å; E710-R713 IonicContact OE2-NH1 2.72Å; E710-R713 PolarHBondContact OE2-NH1 3.47Å; Y711-R713 VanDerWaalsContact C-N 3.29Å; Y711-R713 PolarHBondContact O-N 2.63Å
714	V	95.1	Very high	96.5	Very high	53 Å²	53	56 Å²	56	32%	0.321	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.1	20.1	174.1	-59.5	0	0	0	0	112.2	L676 Y711 A712 L716	L676-V714 HydrophobicContact CD1-CG2 3.52Å; L676-V714 HydrophobicContact CG-CG2 4.43Å; Y711-V714 CarbonylContact O-C 3.56Å; Y711-V714 VanDerWaalsContact O-CG2 3.25Å; Y711-V714 WeakPolarHBondContact O-CG2 3.44Å; Y711-V714 PolarHBondContact O-N 3.36Å; A712-V714 PolarHBondContact O-N 2.8Å; V714-L716 HydrophobicContact CG2-CB 4.25Å; V714-L716 HydrophobicContact CG2-CD1 3.89Å; V714-L716 HydrophobicContact CG2-CG 4.01Å; V714-L716 PolarHBondContact O-N 3.16Å
715	Q	95.6	Very high	96.5	Very high	187 Å²	187	54.8 Å²	54.8	87%	0.874	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.5	29.5	177.4	-56.9	178.6	-3.1	0	0	114.5	Y711 A712	Y711-Q715 PolarHBondContact O-N 3.15Å; Y711-Q715 VanDerWaalsContact O-N 3.16Å; A712-Q715 PolarHBondContact O-N 3.46Å
716	L	95.8	Very high	96.5	Very high	91 Å²	91	50.2 Å²	50.2	48%	0.476	27%	0.265	S	S	.	.			trans	-106.2	151.8	176.1	-65.8	178.1	0	0	0	112.2	Y711 V714	Y711-L716 CarbonylContact C-O 3.22Å; Y711-L716 VanDerWaalsContact C-O 3.26Å; Y711-L716 HydrophobicContact CD1-CB 4.22Å; Y711-L716 PolarHBondContact O-N 3.33Å; V714-L716 HydrophobicContact CG2-CB 4.25Å; V714-L716 HydrophobicContact CG2-CD1 3.89Å; V714-L716 HydrophobicContact CG2-CG 4.01Å; V714-L716 PolarHBondContact O-N 3.16Å
717	S	95.4	Very high	96.3	Very high	95 Å²	95	49.6 Å²	49.6	66%	0.664	27%	0.267	S	S	*	.	P	Polyproline II helix	trans	-60.9	150.7	163.3	57	0	0	0	0	111.2	Y711	Y711-S717 WeakPolarHBondContact CD1-O 3.39Å
718	P	96	Very high	95.7	Very high	70 Å²	70	52.2 Å²	52.2	46%	0.455	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-56.9	150.9	173.5	25.9	-35.8	0	0	0	111.9	K708	K708-P718 HydrophobicContact CG-CB 4.04Å; K708-P718 HydrophobicContact CG-CG 4.15Å
719	P	97.4	Very high	94.7	Very high	13 Å²	13	48.8 Å²	48.8	8%	0.084	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-74.4	160.9	-177	33.3	-36.2	0	0	0	111.5	I680 L707 Y711 L721	I680-P719 HydrophobicContact CD1-CB 4.31Å; I680-P719 HydrophobicContact CD1-CG 3.75Å; I680-P719 HydrophobicContact CG1-CB 4.3Å; I680-P719 HydrophobicContact CG1-CG 4.23Å; L707-P719 HydrophobicContact CD1-CG 4.17Å; L707-P719 HydrophobicContact CD2-CG 4.15Å; Y711-P719 HydrophobicContact CD1-CG 4.48Å; Y711-P719 HydrophobicContact CD2-CG 4.41Å; Y711-P719 HydrophobicContact CE1-CB 3.73Å; Y711-P719 HydrophobicContact CE1-CG 3.88Å; Y711-P719 HydrophobicContact CE2-CG 3.81Å; P719-L721 PolarHBondContact O-N 2.91Å
720	Q	97.6	Very high	93.5	Very high	57 Å²	57	51.3 Å²	51.3	27%	0.266	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	128.9	165.1	-54.6	-165.9	-81.8	0	0	109.2	S678 R679 I680 S782 M783	S678-Q720 PolarHBondContact O-N 2.89Å; R679-Q720 CarbonylContact C-O 3.53Å; R679-Q720 WeakPolarHBondContact CA-O 3.48Å; R679-Q720 HydrophobicContact CG-CB 4.23Å; R679-Q720 HydrophobicContact CG-CG 4.49Å; I680-Q720 PolarHBondContact N-O 3.46Å; Q720-S782 PolarHBondContact NE2-O 3.19Å; Q720-S782 VanDerWaalsContact NE2-O 3.09Å; Q720-M783 HydrophobicContact CB-SD 3.8Å; Q720-M783 PolarHBondContact NE2-O 3.33Å
721	L	97.7	Very high	93	Very high	4 Å²	4	52.5 Å²	52.5	2%	0.021	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	131.6	-176.9	173.5	67.4	0	0	0	110.4	I680 I703 I704 L707 P719 Y780 S781 S782	I680-L721 HydrophobicContact CB-CD1 3.97Å; I680-L721 HydrophobicContact CG2-CD1 3.85Å; I680-L721 CarbonylContact O-C 3.58Å; I680-L721 WeakPolarHBondContact O-CA 3.43Å; I703-L721 HydrophobicContact CG2-CD2 4.05Å; I704-L721 HydrophobicContact CG1-CD2 3.88Å; L707-L721 HydrophobicContact CD1-CD1 4.48Å; L707-L721 HydrophobicContact CD1-CD2 4.07Å; P719-L721 PolarHBondContact O-N 2.91Å; L721-Y780 HydrophobicContact CB-CD1 4.38Å; L721-Y780 HydrophobicContact CB-CE1 4.11Å; L721-Y780 HydrophobicContact CD2-CD1 4.07Å; L721-Y780 HydrophobicContact CD2-CE1 4.21Å; L721-Y780 HydrophobicContact CG-CD1 4.15Å; L721-Y780 HydrophobicContact CG-CE1 4.33Å; L721-S781 CarbonylContact O-C 3.57Å; L721-S781 VanDerWaalsContact O-CA 3.29Å; L721-S781 WeakPolarHBondContact O-CA 3.43Å; L721-S782 PolarHBondContact N-OG 3.38Å; L721-S782 PolarHBondContact O-N 3.14Å; L721-S782 PolarHBondContact O-OG 2.95Å
722	A	97.6	Very high	92.7	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	126.9	157.5	0	0	0	0	0	110.6	I680 V681 F682 I724 Y780 M783 M790	I680-A722 PolarHBondContact O-N 3.02Å; V681-A722 HydrophobicContact CG2-CB 4.47Å; F682-A722 PolarHBondContact N-O 3.36Å; A722-I724 HydrophobicContact CB-CD1 4.49Å; A722-I724 HydrophobicContact CB-CG1 4.41Å; A722-Y780 WeakPolarHBondContact CA-O 3.24Å; A722-M783 HydrophobicContact CB-CG 3.56Å; A722-M790 HydrophobicContact CB-CE 3.55Å
723	Y	97.1	Very high	92.5	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	119.6	174.5	-171.2	-70.8	0	0	0	109.2	F682 R684 L695 E699 V700 I703 V725 L779 Y780	F682-Y723 HydrophobicContact CB-CD2 4.19Å; F682-Y723 AromaticContact CD1-CD2 3.7Å; F682-Y723 HydrophobicContact CD1-CD2 3.7Å; F682-Y723 AromaticContact CD1-CE2 3.48Å; F682-Y723 HydrophobicContact CD1-CE2 3.48Å; F682-Y723 VanDerWaalsContact CD1-CE2 3.48Å; F682-Y723 HydrophobicContact CD1-CG 4.44Å; F682-Y723 HydrophobicContact CE1-CD2 4.33Å; F682-Y723 AromaticContact CE1-CE2 3.65Å; F682-Y723 HydrophobicContact CE1-CE2 3.65Å; F682-Y723 HydrophobicContact CG-CD2 4.03Å; F682-Y723 HydrophobicContact CG-CE2 4.16Å; F682-Y723 HydrophobicContact CZ-CE2 4.43Å; R684-Y723 HydrophobicContact CB-CE1 3.97Å; R684-Y723 WeakPolarHBondContact CB-OH 3.44Å; R684-Y723 WeakPolarHBondContact CD-OH 3.41Å; R684-Y723 HydrophobicContact CG-CE1 4.45Å; R684-Y723 VanDerWaalsContact CG-OH 3.26Å; R684-Y723 WeakPolarHBondContact CG-OH 3.46Å; L695-Y723 HydrophobicContact CD2-CE1 3.82Å; L695-Y723 WeakPolarHBondContact CD2-OH 3.08Å; E699-Y723 HydrophobicContact CB-CE2 4.43Å; E699-Y723 PolarHBondContact OE2-OH 2.69Å; V700-Y723 HydrophobicContact CG2-CD1 3.75Å; V700-Y723 HydrophobicContact CG2-CD2 3.91Å; V700-Y723 HydrophobicContact CG2-CE1 3.94Å; V700-Y723 HydrophobicContact CG2-CE2 4.05Å; V700-Y723 HydrophobicContact CG2-CG 3.75Å; I703-Y723 HydrophobicContact CD1-CD2 4.28Å; I703-Y723 HydrophobicContact CD1-CE2 3.98Å; Y723-V725 HydrophobicContact CE1-CG2 4Å; Y723-L779 HydrophobicContact CD1-CB 4.18Å; Y723-L779 HydrophobicContact CD1-CD1 3.92Å; Y723-L779 HydrophobicContact CD1-CG 4.09Å; Y723-L779 HydrophobicContact CE1-CD1 3.86Å; Y723-L779 HydrophobicContact CE1-CG 4.44Å; Y723-L779 PolarHBondContact O-N 2.89Å; Y723-Y780 PolarHBondContact N-O 3.35Å
724	I	97.1	Very high	92.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	116.6	-168.7	-48.1	179.6	0	0	0	109.7	V681 F682 Y683 R684 A722 Y776 N777 V778 M790	V681-I724 HydrophobicContact CG1-CD1 4Å; F682-I724 PolarHBondContact O-N 3.28Å; Y683-I724 WeakPolarHBondContact CA-O 3.33Å; Y683-I724 HydrophobicContact CD1-CB 3.95Å; Y683-I724 HydrophobicContact CD1-CD1 4.23Å; Y683-I724 HydrophobicContact CD1-CG2 4.16Å; Y683-I724 HydrophobicContact CE1-CB 4.25Å; Y683-I724 HydrophobicContact CE1-CD1 3.7Å; Y683-I724 HydrophobicContact CE1-CG2 4.28Å; R684-I724 PolarHBondContact N-O 2.88Å; A722-I724 HydrophobicContact CB-CD1 4.49Å; A722-I724 HydrophobicContact CB-CG1 4.41Å; I724-Y776 HydrophobicContact CG2-CD1 4.21Å; I724-N777 WeakPolarHBondContact CA-O 3.09Å; I724-V778 HydrophobicContact CG1-CG2 4.24Å; I724-V778 HydrophobicContact CG2-CG2 4.47Å; I724-M790 HydrophobicContact CD1-CE 3.71Å
725	V	95.3	Very high	92.4	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.012	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	123.7	170.8	174.1	0	0	0	0	109.6	R684 V687 L692 L695 Y723 Y776 N777 L779	R684-V725 HydrophobicContact CB-CG2 4.37Å; V687-V725 HydrophobicContact CB-CG1 4.14Å; L692-V725 HydrophobicContact CD2-CB 4.39Å; L692-V725 HydrophobicContact CD2-CG1 4.15Å; L692-V725 HydrophobicContact CD2-CG2 4.05Å; L695-V725 HydrophobicContact CD2-CG2 3.54Å; Y723-V725 HydrophobicContact CE1-CG2 4Å; V725-Y776 WeakPolarHBondContact O-CA 3.44Å; V725-N777 PolarHBondContact N-O 3.48Å; V725-N777 PolarHBondContact O-N 2.91Å; V725-L779 HydrophobicContact CG2-CD1 3.63Å; V725-L779 HydrophobicContact CG2-CD2 4.21Å; V725-L779 HydrophobicContact CG2-CG 3.9Å
726	V	95.6	Very high	92.3	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	114.7	177.4	-174.5	0	0	0	0	108.4	Y683 R684 T774 Y776 V810	Y683-V726 HydrophobicContact CD1-CG2 3.73Å; Y683-V726 HydrophobicContact CG-CG2 4.26Å; R684-V726 PolarHBondContact O-N 3.45Å; V726-T774 HydrophobicContact CG1-CG2 3.52Å; V726-Y776 HydrophobicContact CB-CE1 4.41Å; V726-Y776 HydrophobicContact CG1-CD1 4.35Å; V726-Y776 HydrophobicContact CG1-CE1 3.85Å; V726-Y776 HydrophobicContact CG2-CD1 3.9Å; V726-Y776 HydrophobicContact CG2-CE1 3.84Å; V726-V810 HydrophobicContact CG1-CB 4.19Å; V726-V810 HydrophobicContact CG1-CG1 3.8Å
727	T	91	Very high	92	Very high	53 Å²	53	35.3 Å²	35.3	33%	0.325	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	121	179.1	-65.5	0	0	0	0	110.7	S729 S775	T727-S729 VanDerWaalsContact C-N 3.27Å; T727-S729 PolarHBondContact O-N 3.08Å; T727-S775 PolarHBondContact N-O 3.3Å; T727-S775 PolarHBondContact O-N 3.38Å
728	R	85.8	Confident	91.6	Very high	59 Å²	59	31.8 Å²	31.8	22%	0.223	17%	0.173	C	C	.	.			trans	-72.5	77.3	174	-68.4	-173.5	-172.7	80.8	5.7	110.5	D685 M730 V810	D685-R728 IonicContact OD1-CZ 2.72Å; D685-R728 IonicContact OD1-NH1 2.89Å; D685-R728 PolarHBondContact OD1-NH1 2.86Å; D685-R728 IonicContact OD2-CZ 3.59Å; D685-R728 IonicContact OD2-NH1 3.3Å; D685-R728 PolarHBondContact OD2-NH1 3.32Å; D685-R728 IonicContact OD2-NH2 3.15Å; D685-R728 PolarHBondContact OD2-NH2 2.95Å; R728-M730 PolarHBondContact O-N 3.18Å; R728-M730 VanDerWaalsContact O-N 3.13Å; R728-V810 HydrophobicContact CG-CG1 4.18Å
729	S	75.5	Confident	91.4	Very high	16 Å²	16	35 Å²	35	11%	0.112	18%	0.182	C	C	.	.			trans	-54.8	122.3	-178.6	-171.7	0	0	0	0	111	T727 N731 T732 R733 R809	T727-S729 VanDerWaalsContact C-N 3.27Å; T727-S729 PolarHBondContact O-N 3.08Å; S729-N731 PolarHBondContact OG-N 2.87Å; S729-T732 WeakPolarHBondContact OG-CB 3.34Å; S729-T732 PolarHBondContact OG-N 2.83Å; S729-T732 PolarHBondContact OG-OG1 3.48Å; S729-R733 PolarHBondContact O-NH1 3.19Å; S729-R809 PolarHBondContact O-NH2 3.4Å
730	M	72.2	Confident	91.3	Very high	124 Å²	124	36.4 Å²	36.4	61%	0.611	19%	0.189	S	C	*	.	S	Bend	trans	-99.1	-10	170.7	-67.9	-167.7	66.5	0	0	111.7	E253 R728 R733	E253-M730 WeakPolarHBondContact CG-O 3.33Å; R728-M730 PolarHBondContact O-N 3.18Å; R728-M730 VanDerWaalsContact O-N 3.13Å; M730-R733 PolarHBondContact O-NH1 2.8Å; M730-R733 PolarHBondContact O-NH2 3.09Å
731	N	85.1	Confident	91.1	Very high	53 Å²	53	33.8 Å²	33.8	28%	0.283	18%	0.177	S	C	.	.	S	Bend	trans	-105.2	-28.9	-172.5	-56.6	18.6	0	0	0	111.5	N102 E238 S729	N102-N731 PolarHBondContact ND2-O 2.83Å; E238-N731 VanDerWaalsContact CD-ND2 3.31Å; E238-N731 PolarHBondContact OE1-ND2 3.38Å; S729-N731 PolarHBondContact OG-N 2.87Å
732	T	91.5	Very high	91.1	Very high	7 Å²	7	35.6 Å²	35.6	4%	0.043	19%	0.189	C	C	.	.			trans	-80.3	131.6	173	-37	0	0	0	0	109.8	F103 S729 I751 Y760 P773	F103-T732 HydrophobicContact CE2-CG2 3.96Å; F103-T732 HydrophobicContact CZ-CG2 4.43Å; S729-T732 WeakPolarHBondContact OG-CB 3.34Å; S729-T732 PolarHBondContact OG-N 2.83Å; S729-T732 PolarHBondContact OG-OG1 3.48Å; T732-I751 HydrophobicContact CG2-CD1 3.9Å; T732-Y760 HydrophobicContact CG2-CD1 4.16Å; T732-Y760 HydrophobicContact CG2-CD2 4.41Å; T732-Y760 HydrophobicContact CG2-CE1 3.7Å; T732-Y760 HydrophobicContact CG2-CE2 3.98Å; T732-Y760 HydrophobicContact CG2-CG 4.49Å; T732-Y760 VanDerWaalsContact OG1-CE1 3.24Å; T732-Y760 WeakPolarHBondContact OG1-CE1 3.5Å; T732-Y760 PolarHBondContact OG1-OH 3.04Å; T732-Y760 VanDerWaalsContact OG1-OH 3.07Å; T732-P773 WeakPolarHBondContact O-CD 3.23Å; T732-P773 WeakPolarHBondContact O-CG 3.47Å
733	R	92.9	Very high	91	Very high	10 Å²	10	36 Å²	36	4%	0.038	19%	0.192	C	C	.	.			trans	-133.9	149.4	168.9	-60.2	-67.1	175.8	-108	-1.9	110	T101 N102 E253 S729 M730 F735 V771 S772	T101-R733 CarbonylContact C-O 3.5Å; T101-R733 WeakPolarHBondContact CA-O 3.4Å; N102-R733 HydrophobicContact CB-CB 4Å; N102-R733 PolarHBondContact N-O 2.84Å; N102-R733 PolarHBondContact OD1-N 2.87Å; N102-R733 PolarHBondContact OD1-O 3.01Å; E253-R733 IonicContact OE1-CZ 2.85Å; E253-R733 IonicContact OE1-NE 2.74Å; E253-R733 PolarHBondContact OE1-NE 3.4Å; E253-R733 IonicContact OE1-NH2 2.67Å; E253-R733 PolarHBondContact OE1-NH2 3.47Å; S729-R733 PolarHBondContact O-NH1 3.19Å; M730-R733 PolarHBondContact O-NH1 2.8Å; M730-R733 PolarHBondContact O-NH2 3.09Å; R733-F735 HydrophobicContact CB-CE1 4.47Å; R733-F735 HydrophobicContact CB-CE2 4.17Å; R733-F735 HydrophobicContact CB-CZ 3.85Å; R733-F735 HydrophobicContact CG-CZ 4.49Å; R733-V771 WeakPolarHBondContact CD-O 3.36Å; R733-S772 PolarHBondContact NH1-OG 2.87Å
734	F	94	Very high	91	Very high	4 Å²	4	36 Å²	36	2%	0.018	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	156.1	163.5	46.4	-94.5	0	0	0	110	L99 Q100 T101 P741 T745 V747 I751 Y760 V762 P773	L99-F734 HydrophobicContact CB-CB 4.33Å; L99-F734 HydrophobicContact CD1-CD2 3.94Å; L99-F734 HydrophobicContact CD1-CE2 4.35Å; Q100-F734 CarbonylContact O-C 3.57Å; Q100-F734 WeakPolarHBondContact O-CA 3.13Å; T101-F734 HydrophobicContact CG2-CB 4.38Å; F734-P741 HydrophobicContact CD2-CB 4.48Å; F734-P741 HydrophobicContact CD2-CG 3.76Å; F734-P741 HydrophobicContact CE2-CG 4.22Å; F734-P741 VanDerWaalsContact O-CD 3.29Å; F734-P741 WeakPolarHBondContact O-CD 3.31Å; F734-P741 WeakPolarHBondContact O-CG 3.42Å; F734-T745 HydrophobicContact CE2-CG2 4.03Å; F734-V747 HydrophobicContact CD1-CG2 4.14Å; F734-V747 HydrophobicContact CD2-CG2 4.1Å; F734-V747 HydrophobicContact CE1-CB 4.3Å; F734-V747 HydrophobicContact CE1-CG2 3.97Å; F734-V747 HydrophobicContact CE2-CG2 3.93Å; F734-V747 HydrophobicContact CG-CG2 4.2Å; F734-V747 HydrophobicContact CZ-CB 4.39Å; F734-V747 HydrophobicContact CZ-CG2 3.86Å; F734-I751 HydrophobicContact CD1-CD1 3.97Å; F734-Y760 HydrophobicContact CE1-CG 4.24Å; F734-V762 HydrophobicContact CE2-CG2 3.57Å; F734-V762 HydrophobicContact CZ-CG2 3.82Å; F734-P773 HydrophobicContact CD1-CG 4.29Å; F734-P773 HydrophobicContact CE1-CB 3.74Å; F734-P773 HydrophobicContact CE1-CG 3.75Å; F734-P773 HydrophobicContact CZ-CB 3.77Å; F734-P773 HydrophobicContact CZ-CG 4.23Å
735	F	94	Very high	91	Very high	1 Å²	1	36 Å²	36	0%	0.004	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	138.6	-165.9	-47.5	-78.1	0	0	0	108.9	L99 Q100 T101 P395 R398 R733 Q739 T770	L99-F735 CarbonylContact C-O 3.54Å; L99-F735 WeakPolarHBondContact CA-O 3.48Å; Q100-F735 PolarHBondContact N-O 3.39Å; Q100-F735 VanDerWaalsContact O-CD2 3.27Å; Q100-F735 WeakPolarHBondContact O-CD2 3.4Å; Q100-F735 PolarHBondContact O-N 2.84Å; T101-F735 WeakPolarHBondContact O-CE2 3.35Å; P395-F735 HydrophobicContact CB-CD1 3.79Å; P395-F735 HydrophobicContact CB-CE1 4.12Å; P395-F735 HydrophobicContact CG-CD1 4.36Å; R398-F735 HydrophobicContact CG-CZ 4.39Å; R733-F735 HydrophobicContact CB-CE1 4.47Å; R733-F735 HydrophobicContact CB-CE2 4.17Å; R733-F735 HydrophobicContact CB-CZ 3.85Å; R733-F735 HydrophobicContact CG-CZ 4.49Å; F735-Q739 VanDerWaalsContact CA-O 3.27Å; F735-Q739 WeakPolarHBondContact CA-O 3.39Å; F735-Q739 WeakPolarHBondContact CB-O 3.22Å; F735-T770 HydrophobicContact CD1-CG2 4.41Å; F735-T770 HydrophobicContact CE1-CG2 3.6Å; F735-T770 HydrophobicContact CZ-CG2 4.43Å
736	L	94.1	Very high	91.2	Very high	34 Å²	34	36 Å²	36	18%	0.178	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-101.5	118.2	172.1	-178.4	60	0	0	0	107.8	V97 M98 L99 I437 G738 Q739 P742	V97-L736 HydrophobicContact CB-CD1 4.03Å; V97-L736 HydrophobicContact CG1-CD1 4.34Å; M98-L736 WeakPolarHBondContact O-CD1 3.4Å; L99-L736 HydrophobicContact CD2-CB 3.83Å; L99-L736 HydrophobicContact CD2-CD1 4.02Å; L99-L736 HydrophobicContact CD2-CG 4.47Å; I437-L736 HydrophobicContact CD1-CD2 4.37Å; L736-G738 PolarHBondContact O-N 3.41Å; L736-G738 VanDerWaalsContact O-N 3.15Å; L736-Q739 PolarHBondContact N-O 2.9Å; L736-Q739 VanDerWaalsContact N-O 3.1Å; L736-Q739 WeakPolarHBondContact O-CA 3.32Å; L736-Q739 WeakPolarHBondContact O-CB 3.09Å; L736-Q739 PolarHBondContact O-N 3.31Å; L736-P742 HydrophobicContact CD2-CG 4.41Å
737	N	89.9	Confident	91.2	Very high	139 Å²	139	36 Å²	36	74%	0.743	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.2	40.6	178.7	-57.2	-13.9	0	0	0	113.9	Q739	N737-Q739 PolarHBondContact O-N 2.9Å
738	G	86.2	Confident	91.4	Very high	21 Å²	21	33.7 Å²	33.7	22%	0.216	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.9	7.5	-176.5	0	0	0	0	0	115.6	P395 K396 L736	P395-G738 VanDerWaalsContact CB-O 3.23Å; P395-G738 WeakPolarHBondContact CB-O 3.33Å; K396-G738 PolarHBondContact N-O 3.04Å; L736-G738 PolarHBondContact O-N 3.41Å; L736-G738 VanDerWaalsContact O-N 3.15Å
739	Q	92.4	Very high	91.5	Very high	137 Å²	137	31.9 Å²	31.9	64%	0.64	17%	0.172	S	C	*	.	B	Isolated β-bridge	trans	-113.1	178.1	178.3	-53.6	-165.3	26	0	0	112.3	F735 L736 N737	F735-Q739 VanDerWaalsContact CA-O 3.27Å; F735-Q739 WeakPolarHBondContact CA-O 3.39Å; F735-Q739 WeakPolarHBondContact CB-O 3.22Å; L736-Q739 PolarHBondContact N-O 2.9Å; L736-Q739 VanDerWaalsContact N-O 3.1Å; L736-Q739 WeakPolarHBondContact O-CA 3.32Å; L736-Q739 WeakPolarHBondContact O-CB 3.09Å; L736-Q739 PolarHBondContact O-N 3.31Å; N737-Q739 PolarHBondContact O-N 2.9Å
740	N	94.3	Very high	92.2	Very high	44 Å²	44	32.7 Å²	32.7	24%	0.235	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-69.2	131.8	171.8	-79.4	-40.8	0	0	0	109.6	P395 G769 T770 V771	P395-N740 HydrophobicContact CG-CB 4.3Å; P395-N740 VanDerWaalsContact CG-CG 3.47Å; P395-N740 WeakPolarHBondContact CG-OD1 3.34Å; N740-G769 PolarHBondContact ND2-O 3.11Å; N740-T770 WeakPolarHBondContact OD1-CA 3.3Å; N740-V771 HydrophobicContact CB-CB 4.5Å; N740-V771 HydrophobicContact CB-CG2 3.74Å; N740-V771 PolarHBondContact OD1-N 2.98Å
741	P	95	Very high	93.1	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.013	15%	0.147	C	C	.	.	P	Polyproline II helix	trans	-64.1	146.5	173.5	-16.8	29.4	0	0	0	111.5	L99 F734 T745 V762	L99-P741 HydrophobicContact CD2-CG 4.47Å; F734-P741 HydrophobicContact CD2-CB 4.48Å; F734-P741 HydrophobicContact CD2-CG 3.76Å; F734-P741 HydrophobicContact CE2-CG 4.22Å; F734-P741 VanDerWaalsContact O-CD 3.29Å; F734-P741 WeakPolarHBondContact O-CD 3.31Å; F734-P741 WeakPolarHBondContact O-CG 3.42Å; P741-T745 HydrophobicContact CB-CG2 3.93Å; P741-T745 WeakPolarHBondContact CB-OG1 3.43Å; P741-V762 HydrophobicContact CB-CG2 4.41Å
742	P	95.7	Very high	93.4	Very high	41 Å²	41	24.3 Å²	24.3	27%	0.266	13%	0.134	S	C	.	.	P	Polyproline II helix	trans	-70.7	161.3	179	28.7	-35.1	0	0	0	112.8	I437 L736 G744 T745	I437-P742 HydrophobicContact CD1-CG 3.6Å; I437-P742 HydrophobicContact CG1-CG 4.2Å; I437-P742 HydrophobicContact CG2-CG 4.5Å; L736-P742 HydrophobicContact CD2-CG 4.41Å; P742-G744 PolarHBondContact O-N 2.82Å; P742-T745 WeakPolarHBondContact CD-OG1 3.22Å; P742-T745 WeakPolarHBondContact O-CB 3.29Å; P742-T745 PolarHBondContact O-N 3.21Å; P742-T745 PolarHBondContact O-OG1 2.93Å
743	P	97	Very high	93.3	Very high	10 Å²	10	24.8 Å²	24.8	7%	0.065	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.6	136.2	166.9	-26.2	36.1	0	0	0	112	A456 V762 Q765 Y795	A456-P743 HydrophobicContact CB-CB 3.67Å; A456-P743 HydrophobicContact CB-CG 3.81Å; P743-V762 CarbonylContact C-O 3.52Å; P743-V762 WeakPolarHBondContact CA-O 3.39Å; P743-Q765 HydrophobicContact CG-CB 3.95Å; P743-Q765 HydrophobicContact CG-CG 4.19Å; P743-Y795 VanDerWaalsContact C-OH 3.29Å; P743-Y795 WeakPolarHBondContact CB-OH 3.22Å
744	G	96.9	Very high	93	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.7	-3.1	-177.2	0	0	0	0	0	114.6	I438 P742 I746 V762 Y795	I438-G744 PolarHBondContact N-O 2.99Å; P742-G744 PolarHBondContact O-N 2.82Å; G744-I746 PolarHBondContact O-N 2.92Å; G744-V762 PolarHBondContact N-O 2.98Å; G744-Y795 VanDerWaalsContact CA-CZ 3.45Å; G744-Y795 PolarHBondContact N-OH 3.4Å
745	T	97.8	Very high	92.5	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	127.1	174.7	-50.7	0	0	0	0	111.2	L99 R436 F734 P741 P742 L761 V762	L99-T745 HydrophobicContact CD1-CG2 3.66Å; L99-T745 HydrophobicContact CD2-CG2 4.18Å; R436-T745 CarbonylContact O-C 3.6Å; R436-T745 WeakPolarHBondContact O-CA 3.42Å; F734-T745 HydrophobicContact CE2-CG2 4.03Å; P741-T745 HydrophobicContact CB-CG2 3.93Å; P741-T745 WeakPolarHBondContact CB-OG1 3.43Å; P742-T745 WeakPolarHBondContact CD-OG1 3.22Å; P742-T745 WeakPolarHBondContact O-CB 3.29Å; P742-T745 PolarHBondContact O-N 3.21Å; P742-T745 PolarHBondContact O-OG1 2.93Å; T745-L761 WeakPolarHBondContact O-CA 3.17Å; T745-V762 PolarHBondContact O-N 3.48Å
746	I	97.9	Very high	92.3	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	145.3	178.9	-68	-168.8	0	0	0	111.2	G435 R436 I438 G744 D748 Y760 L761 Q791	G435-I746 CarbonylContact C-O 3.57Å; G435-I746 WeakPolarHBondContact CA-O 3.4Å; R436-I746 PolarHBondContact N-O 2.74Å; R436-I746 PolarHBondContact O-N 2.78Å; I438-I746 HydrophobicContact CD1-CD1 3.51Å; I438-I746 HydrophobicContact CD1-CG1 4.46Å; I438-I746 HydrophobicContact CG1-CD1 4.07Å; G744-I746 PolarHBondContact O-N 2.92Å; I746-D748 HydrophobicContact CG2-CB 4.37Å; I746-Y760 VanDerWaalsContact CA-O 3.27Å; I746-Y760 WeakPolarHBondContact CA-O 3.16Å; I746-L761 HydrophobicContact CD1-CD1 4.12Å; I746-L761 HydrophobicContact CG1-CB 4.11Å; I746-L761 HydrophobicContact CG1-CD1 3.67Å; I746-L761 HydrophobicContact CG1-CG 4.45Å; I746-Q791 HydrophobicContact CD1-CB 3.64Å; I746-Q791 HydrophobicContact CD1-CG 3.99Å
747	V	96.9	Very high	92.3	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	117.7	166.9	-178.8	0	0	0	0	109	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 3.62Å; F734-V747 HydrophobicContact CD1-CG2 4.14Å; F734-V747 HydrophobicContact CD2-CG2 4.1Å; F734-V747 HydrophobicContact CE1-CB 4.3Å; F734-V747 HydrophobicContact CE1-CG2 3.97Å; F734-V747 HydrophobicContact CE2-CG2 3.93Å; F734-V747 HydrophobicContact CG-CG2 4.2Å; F734-V747 HydrophobicContact CZ-CB 4.39Å; F734-V747 HydrophobicContact CZ-CG2 3.86Å; V747-D749 WeakPolarHBondContact CG1-O 3.38Å; V747-I751 HydrophobicContact CG1-CD1 3.9Å; V747-I751 HydrophobicContact CG1-CG1 3.64Å; V747-Y760 PolarHBondContact N-O 3Å; V747-Y760 PolarHBondContact O-N 2.79Å
748	D	94.5	Very high	92.4	Very high	6 Å²	6	20.4 Å²	20.4	3%	0.032	11%	0.112	C	C	.	.			trans	-126.4	15.8	-176.4	51.7	-6.4	0	0	0	113.3	K90 G91 R436 I746 F759 Q791	K90-D748 VanDerWaalsContact CA-OD2 3.3Å; K90-D748 WeakPolarHBondContact CA-OD2 3.34Å; G91-D748 PolarHBondContact N-OD2 2.91Å; R436-D748 IonicContact CZ-OD2 2.7Å; R436-D748 IonicContact NH2-OD1 3.97Å; R436-D748 IonicContact NH2-OD2 2.76Å; R436-D748 PolarHBondContact NH2-OD2 2.68Å; I746-D748 HydrophobicContact CG2-CB 4.37Å; D748-F759 HydrophobicContact CB-CB 3.84Å; D748-Q791 PolarHBondContact OD2-NE2 3.36Å
749	D	88.4	Confident	92.9	Very high	20 Å²	20	19.4 Å²	19.4	11%	0.107	10%	0.102	C	C	.	.	S	Bend	trans	-142.8	168.7	178.2	-170.8	29.1	0	0	0	111.2	K90 V747 I751 T752	K90-D749 HydrophobicContact CD-CB 4.12Å; K90-D749 VanDerWaalsContact CE-OD2 3.28Å; K90-D749 WeakPolarHBondContact CE-OD2 3.34Å; K90-D749 HydrophobicContact CG-CB 4.35Å; K90-D749 IonicContact NZ-OD1 3.65Å; K90-D749 IonicContact NZ-OD2 2.62Å; K90-D749 PolarHBondContact NZ-OD2 3.47Å; V747-D749 WeakPolarHBondContact CG1-O 3.38Å; D749-I751 PolarHBondContact O-N 3.45Å; D749-T752 WeakPolarHBondContact CA-OG1 3.46Å
750	V	88.9	Confident	93.2	Very high	34 Å²	34	13.8 Å²	13.8	21%	0.206	8%	0.075	C	C	.	.	S	Bend	trans	60.3	-46.4	172.1	-169.3	0	0	0	0	117.2	H244 L249 T431 V433	H244-V750 WeakPolarHBondContact CB-O 3.35Å; L249-V750 HydrophobicContact CD1-CG1 4.46Å; L249-V750 WeakPolarHBondContact CD1-O 3.5Å; T431-V750 HydrophobicContact CG2-CG1 4.05Å; V433-V750 HydrophobicContact CB-CB 4.42Å; V433-V750 HydrophobicContact CG1-CB 3.87Å; V433-V750 HydrophobicContact CG1-CG2 4Å; V433-V750 HydrophobicContact CG2-CB 3.73Å; V433-V750 HydrophobicContact CG2-CG1 3.78Å; V433-V750 HydrophobicContact CG2-CG2 4.37Å
751	I	91.5	Very high	93.3	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.064	C	C	.	.	S	Bend	trans	-107.9	-1.5	176.9	56.8	168.7	0	0	0	113.2	T101 F103 H244 L249 V433 T732 F734 V747 D749 Y760	T101-I751 HydrophobicContact CG2-CD1 4.07Å; T101-I751 HydrophobicContact CG2-CG2 4.06Å; F103-I751 HydrophobicContact CB-CG2 4.4Å; F103-I751 HydrophobicContact CD1-CG2 4.44Å; F103-I751 HydrophobicContact CD2-CB 4.41Å; F103-I751 HydrophobicContact CD2-CG2 3.69Å; F103-I751 HydrophobicContact CE2-CB 4.24Å; F103-I751 HydrophobicContact CE2-CG2 4.03Å; F103-I751 HydrophobicContact CG-CG2 3.93Å; H244-I751 PolarHBondContact CE1-O 3.29Å; H244-I751 VanDerWaalsContact CE1-O 3.26Å; H244-I751 VanDerWaalsContact ND1-C 3.34Å; H244-I751 PolarHBondContact ND1-O 3.32Å; H244-I751 VanDerWaalsContact ND1-O 3.16Å; L249-I751 HydrophobicContact CD1-CG2 3.89Å; V433-I751 HydrophobicContact CG2-CG2 4.14Å; T732-I751 HydrophobicContact CG2-CD1 3.9Å; F734-I751 HydrophobicContact CD1-CD1 3.97Å; V747-I751 HydrophobicContact CG1-CD1 3.9Å; V747-I751 HydrophobicContact CG1-CG1 3.64Å; D749-I751 PolarHBondContact O-N 3.45Å; I751-Y760 HydrophobicContact CD1-CD2 4.43Å; I751-Y760 HydrophobicContact CD1-CE2 4.47Å; I751-Y760 HydrophobicContact CG1-CD2 4.43Å; I751-Y760 HydrophobicContact CG1-CE2 4.31Å
752	T	92.1	Very high	93.5	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.064	C	C	.	.	S	Bend	trans	-71.1	174.8	162.5	50.5	0	0	0	0	111.4	K89 H244 E245 D749 D758 Y760	K89-T752 WeakPolarHBondContact CE-OG1 3.37Å; H244-T752 PolarHBondContact ND1-O 3.3Å; E245-T752 VanDerWaalsContact CG-OG1 3.29Å; E245-T752 WeakPolarHBondContact CG-OG1 3.41Å; E245-T752 VanDerWaalsContact OE1-C 3.3Å; E245-T752 WeakPolarHBondContact OE1-CB 3.5Å; E245-T752 PolarHBondContact OE1-OG1 3.45Å; D749-T752 WeakPolarHBondContact CA-OG1 3.46Å; T752-D758 WeakPolarHBondContact CB-OD1 3.26Å; T752-D758 WeakPolarHBondContact CG2-O 3.46Å; T752-Y760 HydrophobicContact CG2-CD2 4.33Å; T752-Y760 HydrophobicContact CG2-CE2 4.38Å
753	L	88.5	Confident	93.5	Very high	17 Å²	17	9.9 Å²	9.9	9%	0.089	5%	0.052	C	C	.	.			trans	-109.8	134.9	-177.3	-68.8	172.6	0	0	0	112.4	K89 R242 E245 E755 R756 D758	K89-L753 PolarHBondContact NZ-O 2.81Å; R242-L753 HydrophobicContact CB-CD2 4.43Å; E245-L753 PolarHBondContact OE1-N 3.44Å; L753-E755 VanDerWaalsContact C-N 3.28Å; L753-E755 PolarHBondContact O-N 2.92Å; L753-R756 HydrophobicContact CB-CB 4.41Å; L753-R756 HydrophobicContact CB-CG 4.01Å; L753-R756 VanDerWaalsContact CD1-NE 3.29Å; L753-R756 PolarHBondContact O-N 3.39Å; L753-D758 PolarHBondContact N-OD1 2.8Å
754	P	86.8	Confident	93.3	Very high	40 Å²	40	12 Å²	12	26%	0.26	6%	0.061	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-38.6	-170.8	-23.4	32.2	0	0	0	113.5	R82 Q243 H244 R756	R82-P754 VanDerWaalsContact CD-O 3.26Å; R82-P754 WeakPolarHBondContact CD-O 3.45Å; R82-P754 PolarHBondContact NH1-O 2.76Å; Q243-P754 HydrophobicContact CG-CG 4.41Å; H244-P754 VanDerWaalsContact C-CG 3.48Å; H244-P754 WeakPolarHBondContact O-CG 3.4Å; P754-R756 PolarHBondContact O-N 3.19Å
755	E	84.8	Confident	93	Very high	11 Å²	11	14.5 Å²	14.5	5%	0.051	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	4.1	-178.3	83	-75.2	178.3	0	0	113.8	Y78 N80 T81 R82 L753	Y78-E755 HydrophobicContact CD2-CG 4.41Å; Y78-E755 HydrophobicContact CE1-CB 3.82Å; Y78-E755 HydrophobicContact CE1-CG 3.85Å; Y78-E755 HydrophobicContact CE2-CB 4.42Å; Y78-E755 HydrophobicContact CE2-CG 3.71Å; Y78-E755 VanDerWaalsContact CZ-CG 3.42Å; Y78-E755 WeakPolarHBondContact OH-CB 3.42Å; Y78-E755 PolarHBondContact OH-OE2 3.13Å; N80-E755 CarbonylContact C-O 3.5Å; N80-E755 WeakPolarHBondContact CA-O 3.45Å; N80-E755 HydrophobicContact CB-CB 4.4Å; N80-E755 PolarHBondContact OD1-O 2.8Å; T81-E755 PolarHBondContact N-O 3.25Å; R82-E755 PolarHBondContact N-O 3.09Å; L753-E755 VanDerWaalsContact C-N 3.28Å; L753-E755 PolarHBondContact O-N 2.92Å
756	R	88.8	Confident	92.6	Very high	32 Å²	32	17 Å²	17	12%	0.121	9%	0.088	C	C	.	.			trans	-124	142.7	-170.7	-57.1	-173.5	-165.7	-139.9	-15.1	112.3	T81 K89 L753 P754 D758	T81-R756 WeakPolarHBondContact OG1-CA 3.44Å; K89-R756 VanDerWaalsContact CD-O 3.27Å; K89-R756 WeakPolarHBondContact CD-O 3.31Å; K89-R756 PolarHBondContact NZ-O 2.78Å; L753-R756 HydrophobicContact CB-CB 4.41Å; L753-R756 HydrophobicContact CB-CG 4.01Å; L753-R756 VanDerWaalsContact CD1-NE 3.29Å; L753-R756 PolarHBondContact O-N 3.39Å; P754-R756 PolarHBondContact O-N 3.19Å; R756-D758 HydrophobicContact CB-CB 3.81Å; R756-D758 VanDerWaalsContact CB-CG 3.48Å; R756-D758 WeakPolarHBondContact CB-OD1 3.45Å; R756-D758 PolarHBondContact O-N 2.9Å
757	Y	93.2	Very high	91.9	Very high	9 Å²	9	26.5 Å²	26.5	4%	0.035	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	75.9	153.6	-178.5	-168.2	0	0	0	108.4	T81 L86 K89 V778 P787	T81-Y757 PolarHBondContact OG1-N 3Å; L86-Y757 HydrophobicContact CD2-CD1 3.67Å; L86-Y757 HydrophobicContact CD2-CD2 3.68Å; L86-Y757 HydrophobicContact CD2-CE1 4.12Å; L86-Y757 HydrophobicContact CD2-CE2 4.13Å; L86-Y757 HydrophobicContact CD2-CG 3.45Å; L86-Y757 VanDerWaalsContact CD2-CG 3.45Å; K89-Y757 HydrophobicContact CB-CD2 3.9Å; K89-Y757 HydrophobicContact CB-CE2 4.28Å; Y757-V778 HydrophobicContact CD1-CB 3.57Å; Y757-V778 HydrophobicContact CD1-CG1 3.75Å; Y757-V778 HydrophobicContact CD1-CG2 3.89Å; Y757-V778 HydrophobicContact CD2-CG2 4.33Å; Y757-V778 HydrophobicContact CE1-CB 4.04Å; Y757-V778 HydrophobicContact CE1-CG1 4Å; Y757-V778 HydrophobicContact CE1-CG2 3.93Å; Y757-V778 HydrophobicContact CE2-CG2 4.36Å; Y757-V778 HydrophobicContact CG-CB 3.87Å; Y757-V778 HydrophobicContact CG-CG2 4.09Å; Y757-V778 WeakPolarHBondContact O-CB 3.31Å; Y757-V778 PolarHBondContact O-N 2.86Å; Y757-P787 HydrophobicContact CE2-CB 4.22Å; Y757-P787 HydrophobicContact CE2-CG 4.29Å; Y757-P787 WeakPolarHBondContact OH-CA 3.33Å
758	D	93.7	Very high	91.2	Very high	4 Å²	4	33.1 Å²	33.1	2%	0.021	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	155.1	179.7	69	-18	0	0	0	114	K89 T752 L753 R756 Y776 N777	K89-D758 IonicContact NZ-OD1 3.72Å; K89-D758 PolarHBondContact NZ-OD1 2.81Å; T752-D758 WeakPolarHBondContact CB-OD1 3.26Å; T752-D758 WeakPolarHBondContact CG2-O 3.46Å; L753-D758 PolarHBondContact N-OD1 2.8Å; R756-D758 HydrophobicContact CB-CB 3.81Å; R756-D758 VanDerWaalsContact CB-CG 3.48Å; R756-D758 WeakPolarHBondContact CB-OD1 3.45Å; R756-D758 PolarHBondContact O-N 2.9Å; D758-Y776 CarbonylContact C-O 3.57Å; D758-Y776 WeakPolarHBondContact CA-O 3.18Å; D758-Y776 WeakPolarHBondContact CB-O 3.06Å; D758-N777 HydrophobicContact CB-CB 4.14Å
759	F	96.7	Very high	90.9	Very high	1 Å²	1	33.4 Å²	33.4	0%	0.004	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	160.4	172.6	63.4	-87.6	0	0	0	111.2	D748 L761 S775 Y776 Q791 T794	D748-F759 HydrophobicContact CB-CB 3.84Å; F759-L761 HydrophobicContact CD2-CB 4.4Å; F759-L761 HydrophobicContact CE2-CB 4.3Å; F759-S775 WeakPolarHBondContact O-CA 3.41Å; F759-Y776 HydrophobicContact CD2-CD2 4.13Å; F759-Y776 AromaticContact CE2-CD2 3.63Å; F759-Y776 HydrophobicContact CE2-CD2 3.63Å; F759-Y776 HydrophobicContact CE2-CE2 4.45Å; F759-Y776 AromaticContact CE2-CG 3.84Å; F759-Y776 HydrophobicContact CE2-CG 3.84Å; F759-Y776 HydrophobicContact CZ-CD2 4.13Å; F759-Y776 AromaticContact CZ-CG 3.84Å; F759-Y776 HydrophobicContact CZ-CG 3.84Å; F759-Y776 PolarHBondContact N-O 3.12Å; F759-Y776 PolarHBondContact O-N 2.89Å; F759-Q791 HydrophobicContact CD1-CG 4.04Å; F759-Q791 HydrophobicContact CD2-CG 3.9Å; F759-Q791 HydrophobicContact CE1-CG 4.05Å; F759-Q791 HydrophobicContact CE2-CB 4.45Å; F759-Q791 HydrophobicContact CE2-CG 3.91Å; F759-Q791 HydrophobicContact CG-CG 3.97Å; F759-Q791 HydrophobicContact CZ-CG 3.98Å; F759-T794 HydrophobicContact CE2-CG2 4.42Å; F759-T794 HydrophobicContact CZ-CG2 4.24Å
760	Y	97.4	Very high	90.8	Very high	19 Å²	19	33.3 Å²	33.3	8%	0.075	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	140.5	168.9	-63.4	-83.1	0	0	0	110.5	T732 F734 I746 V747 I751 T752 P773 T774	T732-Y760 HydrophobicContact CG2-CD1 4.16Å; T732-Y760 HydrophobicContact CG2-CD2 4.41Å; T732-Y760 HydrophobicContact CG2-CE1 3.7Å; T732-Y760 HydrophobicContact CG2-CE2 3.98Å; T732-Y760 HydrophobicContact CG2-CG 4.49Å; T732-Y760 VanDerWaalsContact OG1-CE1 3.24Å; T732-Y760 WeakPolarHBondContact OG1-CE1 3.5Å; T732-Y760 PolarHBondContact OG1-OH 3.04Å; T732-Y760 VanDerWaalsContact OG1-OH 3.07Å; F734-Y760 HydrophobicContact CE1-CG 4.24Å; I746-Y760 VanDerWaalsContact CA-O 3.27Å; I746-Y760 WeakPolarHBondContact CA-O 3.16Å; V747-Y760 PolarHBondContact N-O 3Å; V747-Y760 PolarHBondContact O-N 2.79Å; I751-Y760 HydrophobicContact CD1-CD2 4.43Å; I751-Y760 HydrophobicContact CD1-CE2 4.47Å; I751-Y760 HydrophobicContact CG1-CD2 4.43Å; I751-Y760 HydrophobicContact CG1-CE2 4.31Å; T752-Y760 HydrophobicContact CG2-CD2 4.33Å; T752-Y760 HydrophobicContact CG2-CE2 4.38Å; Y760-P773 HydrophobicContact CD1-CB 4.49Å; Y760-T774 WeakPolarHBondContact CA-O 3.43Å
761	L	97.8	Very high	90.9	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	128.5	172.6	162.5	66.5	0	0	0	109.9	T745 I746 F759 S763 T774 Y776 T794 Y795	T745-L761 WeakPolarHBondContact O-CA 3.17Å; I746-L761 HydrophobicContact CD1-CD1 4.12Å; I746-L761 HydrophobicContact CG1-CB 4.11Å; I746-L761 HydrophobicContact CG1-CD1 3.67Å; I746-L761 HydrophobicContact CG1-CG 4.45Å; F759-L761 HydrophobicContact CD2-CB 4.4Å; F759-L761 HydrophobicContact CE2-CB 4.3Å; L761-S763 PolarHBondContact O-N 2.99Å; L761-T774 PolarHBondContact N-O 2.87Å; L761-T774 PolarHBondContact O-N 3.44Å; L761-Y776 HydrophobicContact CB-CD2 4.25Å; L761-Y776 HydrophobicContact CB-CE2 3.86Å; L761-Y776 HydrophobicContact CD2-CE2 4.18Å; L761-Y776 HydrophobicContact CG-CE2 4.44Å; L761-T794 HydrophobicContact CD2-CG2 4.16Å; L761-Y795 HydrophobicContact CD1-CD2 4.06Å; L761-Y795 HydrophobicContact CD1-CG 4.4Å; L761-Y795 HydrophobicContact CD2-CD2 4.27Å
762	V	97.4	Very high	90.8	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.018	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	93.6	161.3	173.5	0	0	0	0	107.1	F734 P741 P743 G744 T745 V771 P773	F734-V762 HydrophobicContact CE2-CG2 3.57Å; F734-V762 HydrophobicContact CZ-CG2 3.82Å; P741-V762 HydrophobicContact CB-CG2 4.41Å; P743-V762 CarbonylContact C-O 3.52Å; P743-V762 WeakPolarHBondContact CA-O 3.39Å; G744-V762 PolarHBondContact N-O 2.98Å; T745-V762 PolarHBondContact O-N 3.48Å; V762-V771 HydrophobicContact CB-CG1 4.25Å; V762-V771 HydrophobicContact CG1-CG1 3.62Å; V762-V771 HydrophobicContact CG2-CG1 3.64Å; V762-P773 HydrophobicContact CG2-CB 4.03Å
763	S	96.3	Very high	90.9	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.014	16%	0.162	C	C	.	.			trans	-85	-30.1	175.1	58.1	0	0	0	0	112.7	L761 T807 T808 R809	L761-S763 PolarHBondContact O-N 2.99Å; S763-T807 WeakPolarHBondContact O-CB 3.44Å; S763-T807 PolarHBondContact O-OG1 2.91Å; S763-T808 WeakPolarHBondContact CB-O 3.46Å; S763-T808 PolarHBondContact OG-O 3.44Å; S763-R809 VanDerWaalsContact OG-CA 3.29Å; S763-R809 WeakPolarHBondContact OG-CA 3.47Å; S763-R809 PolarHBondContact OG-O 2.92Å
764	Q	93.6	Very high	91.3	Very high	55 Å²	55	32.7 Å²	32.7	26%	0.257	16%	0.158	S	C	.	.	S	Bend	trans	-124.7	125.1	-171	174.8	170.9	65.4	0	0	112.4	T807 R809	Q764-T807 WeakPolarHBondContact CG-O 3.29Å; Q764-T807 PolarHBondContact NE2-O 3.22Å; Q764-R809 HydrophobicContact CB-CB 4.28Å
765	Q	91.1	Very high	91.7	Very high	52 Å²	52	31.5 Å²	31.5	24%	0.243	15%	0.151	C	C	.	.			trans	-66.8	156.9	170.7	54.6	138.1	-38.6	0	0	113.1	N455 P743	N455-Q765 WeakPolarHBondContact O-CG 3.26Å; N455-Q765 PolarHBondContact O-NE2 2.72Å; P743-Q765 HydrophobicContact CG-CB 3.95Å; P743-Q765 HydrophobicContact CG-CG 4.19Å
766	V	87.9	Confident	92.3	Very high	53 Å²	53	31 Å²	31	32%	0.321	15%	0.148	S	C	.	.			trans	-127.5	132.3	171.5	-54.1	0	0	0	0	111.1	Q768 V771	V766-Q768 VanDerWaalsContact C-N 3.29Å; V766-Q768 WeakPolarHBondContact CG2-O 3.44Å; V766-Q768 PolarHBondContact O-N 2.79Å; V766-V771 HydrophobicContact CG1-CG2 4.38Å; V766-V771 HydrophobicContact CG2-CG2 3.86Å
767	R	84.5	Confident	92.5	Very high	199 Å²	199	29.8 Å²	29.8	75%	0.751	14%	0.144	S	C	*	.	S	Bend	trans	-74.2	-16.7	179.6	-60.9	-175	-176	-175.9	1.4	114	D457	D457-R767 IonicContact OD2-NH2 3.13Å
768	Q	81.9	Confident	92.6	Very high	138 Å²	138	29.5 Å²	29.5	65%	0.645	14%	0.143	S	C	*	.	S	Bend	trans	-149.5	149.2	-179.3	-70	-174.9	-10.6	0	0	110.2	V766	V766-Q768 VanDerWaalsContact C-N 3.29Å; V766-Q768 WeakPolarHBondContact CG2-O 3.44Å; V766-Q768 PolarHBondContact O-N 2.79Å
769	G	87.3	Confident	92.6	Very high	13 Å²	13	29.7 Å²	29.7	13%	0.134	14%	0.144	C	C	.	.	S	Bend	trans	73.3	-159.1	-178.5	0	0	0	0	0	113	M393 N740	M393-G769 CarbonylContact O-C 3.6Å; M393-G769 VanDerWaalsContact O-CA 3.3Å; M393-G769 WeakPolarHBondContact O-CA 2.97Å; N740-G769 PolarHBondContact ND2-O 3.11Å
770	T	87.6	Confident	92.4	Very high	17 Å²	17	33.4 Å²	33.4	10%	0.104	16%	0.159	C	C	.	.			trans	-101	136	-177.3	-38.1	0	0	0	0	111.6	M393 P395 R398 F735 N740 S772	M393-T770 PolarHBondContact O-N 2.85Å; M393-T770 PolarHBondContact O-OG1 2.87Å; P395-T770 HydrophobicContact CG-CG2 4.46Å; R398-T770 PolarHBondContact NE-OG1 3.45Å; R398-T770 PolarHBondContact NH2-OG1 3.07Å; F735-T770 HydrophobicContact CD1-CG2 4.41Å; F735-T770 HydrophobicContact CE1-CG2 3.6Å; F735-T770 HydrophobicContact CZ-CG2 4.43Å; N740-T770 WeakPolarHBondContact OD1-CA 3.3Å; T770-S772 PolarHBondContact O-N 2.95Å
771	V	89.9	Confident	92.3	Very high	4 Å²	4	34.3 Å²	34.3	2%	0.024	17%	0.168	C	C	.	.			trans	-56.3	137.2	166.7	165.8	0	0	0	0	109.8	R733 N740 V762 V766	R733-V771 WeakPolarHBondContact CD-O 3.36Å; N740-V771 HydrophobicContact CB-CB 4.5Å; N740-V771 HydrophobicContact CB-CG2 3.74Å; N740-V771 PolarHBondContact OD1-N 2.98Å; V762-V771 HydrophobicContact CB-CG1 4.25Å; V762-V771 HydrophobicContact CG1-CG1 3.62Å; V762-V771 HydrophobicContact CG2-CG1 3.64Å; V766-V771 HydrophobicContact CG1-CG2 4.38Å; V766-V771 HydrophobicContact CG2-CG2 3.86Å
772	S	89.8	Confident	92.1	Very high	31 Å²	31	36.4 Å²	36.4	22%	0.217	18%	0.183	C	C	.	.			trans	-111.1	107.9	169.7	-60.6	0	0	0	0	108.5	R733 T770 R809	R733-S772 PolarHBondContact NH1-OG 2.87Å; T770-S772 PolarHBondContact O-N 2.95Å; S772-R809 VanDerWaalsContact CB-NH2 3.3Å; S772-R809 PolarHBondContact O-NE 3.43Å; S772-R809 PolarHBondContact O-NH2 3.33Å
773	P	94.7	Very high	91.8	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.013	18%	0.182	C	C	.	.			trans	-62.7	162.1	-179.5	26.6	-35	0	0	0	111.7	T732 F734 Y760 V762 R809	T732-P773 WeakPolarHBondContact O-CD 3.23Å; T732-P773 WeakPolarHBondContact O-CG 3.47Å; F734-P773 HydrophobicContact CD1-CG 4.29Å; F734-P773 HydrophobicContact CE1-CB 3.74Å; F734-P773 HydrophobicContact CE1-CG 3.75Å; F734-P773 HydrophobicContact CZ-CB 3.77Å; F734-P773 HydrophobicContact CZ-CG 4.23Å; Y760-P773 HydrophobicContact CD1-CB 4.49Å; V762-P773 HydrophobicContact CG2-CB 4.03Å; P773-R809 PolarHBondContact O-NH2 3.45Å
774	T	96.3	Very high	91.4	Very high	1 Å²	1	40 Å²	40	1%	0.006	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	130.5	171.3	-61.7	0	0	0	0	108.7	V726 Y760 L761 Y776 R809 V810	V726-T774 HydrophobicContact CG1-CG2 3.52Å; Y760-T774 WeakPolarHBondContact CA-O 3.43Å; L761-T774 PolarHBondContact N-O 2.87Å; L761-T774 PolarHBondContact O-N 3.44Å; T774-Y776 HydrophobicContact CG2-CD2 4.21Å; T774-Y776 HydrophobicContact CG2-CE1 4.19Å; T774-Y776 HydrophobicContact CG2-CE2 3.51Å; T774-Y776 WeakPolarHBondContact O-CD2 3.19Å; T774-Y776 WeakPolarHBondContact O-CE2 3.15Å; T774-R809 WeakPolarHBondContact CB-O 3.37Å; T774-R809 WeakPolarHBondContact OG1-CG 3.24Å; T774-R809 PolarHBondContact OG1-NE 3.42Å; T774-R809 PolarHBondContact OG1-O 3.02Å; T774-V810 HydrophobicContact CG2-CG1 4.24Å
775	S	95.2	Very high	91.2	Very high	16 Å²	16	39.1 Å²	39.1	11%	0.112	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	136.7	173.9	178.4	0	0	0	0	109.1	T727 F759	T727-S775 PolarHBondContact N-O 3.3Å; T727-S775 PolarHBondContact O-N 3.38Å; F759-S775 WeakPolarHBondContact O-CA 3.41Å
776	Y	96.3	Very high	91.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	115.6	176.3	-63.9	-91.7	0	0	0	107	Y683 I724 V725 V726 D758 F759 L761 T774 T794 P811	Y683-Y776 HydrophobicContact CD1-CD1 4.48Å; Y683-Y776 HydrophobicContact CE1-CD1 4.33Å; Y683-Y776 HydrophobicContact CE1-CE1 4.42Å; I724-Y776 HydrophobicContact CG2-CD1 4.21Å; V725-Y776 WeakPolarHBondContact O-CA 3.44Å; V726-Y776 HydrophobicContact CB-CE1 4.41Å; V726-Y776 HydrophobicContact CG1-CD1 4.35Å; V726-Y776 HydrophobicContact CG1-CE1 3.85Å; V726-Y776 HydrophobicContact CG2-CD1 3.9Å; V726-Y776 HydrophobicContact CG2-CE1 3.84Å; D758-Y776 CarbonylContact C-O 3.57Å; D758-Y776 WeakPolarHBondContact CA-O 3.18Å; D758-Y776 WeakPolarHBondContact CB-O 3.06Å; F759-Y776 HydrophobicContact CD2-CD2 4.13Å; F759-Y776 AromaticContact CE2-CD2 3.63Å; F759-Y776 HydrophobicContact CE2-CD2 3.63Å; F759-Y776 HydrophobicContact CE2-CE2 4.45Å; F759-Y776 AromaticContact CE2-CG 3.84Å; F759-Y776 HydrophobicContact CE2-CG 3.84Å; F759-Y776 HydrophobicContact CZ-CD2 4.13Å; F759-Y776 AromaticContact CZ-CG 3.84Å; F759-Y776 HydrophobicContact CZ-CG 3.84Å; F759-Y776 PolarHBondContact N-O 3.12Å; F759-Y776 PolarHBondContact O-N 2.89Å; L761-Y776 HydrophobicContact CB-CD2 4.25Å; L761-Y776 HydrophobicContact CB-CE2 3.86Å; L761-Y776 HydrophobicContact CD2-CE2 4.18Å; L761-Y776 HydrophobicContact CG-CE2 4.44Å; T774-Y776 HydrophobicContact CG2-CD2 4.21Å; T774-Y776 HydrophobicContact CG2-CE1 4.19Å; T774-Y776 HydrophobicContact CG2-CE2 3.51Å; T774-Y776 WeakPolarHBondContact O-CD2 3.19Å; T774-Y776 WeakPolarHBondContact O-CE2 3.15Å; Y776-T794 HydrophobicContact CD1-CG2 3.63Å; Y776-T794 HydrophobicContact CD2-CG2 4.33Å; Y776-T794 HydrophobicContact CE1-CG2 3.32Å; Y776-T794 HydrophobicContact CE2-CG2 4.09Å; Y776-T794 HydrophobicContact CG-CG2 4.13Å; Y776-P811 HydrophobicContact CE1-CG 3.91Å
777	N	94.2	Very high	91.7	Very high	7 Å²	7	36.3 Å²	36.3	4%	0.037	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	111.7	176.9	-178.6	20.4	0	0	0	108.9	T81 I724 V725 D758 L779	T81-N777 PolarHBondContact OG1-OD1 2.81Å; I724-N777 WeakPolarHBondContact CA-O 3.09Å; V725-N777 PolarHBondContact N-O 3.48Å; V725-N777 PolarHBondContact O-N 2.91Å; D758-N777 HydrophobicContact CB-CB 4.14Å; N777-L779 VanDerWaalsContact ND2-CD2 3.35Å; N777-L779 WeakPolarHBondContact ND2-CD2 3.39Å; N777-L779 PolarHBondContact O-N 3.4Å
778	V	94.9	Very high	92.1	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.012	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	114.9	174.8	-172.8	0	0	0	0	107.3	T81 I724 Y757 Y780	T81-V778 VanDerWaalsContact CB-O 3.32Å; T81-V778 WeakPolarHBondContact CB-O 3.44Å; T81-V778 PolarHBondContact OG1-O 2.94Å; I724-V778 HydrophobicContact CG1-CG2 4.24Å; I724-V778 HydrophobicContact CG2-CG2 4.47Å; Y757-V778 HydrophobicContact CD1-CB 3.57Å; Y757-V778 HydrophobicContact CD1-CG1 3.75Å; Y757-V778 HydrophobicContact CD1-CG2 3.89Å; Y757-V778 HydrophobicContact CD2-CG2 4.33Å; Y757-V778 HydrophobicContact CE1-CB 4.04Å; Y757-V778 HydrophobicContact CE1-CG1 4Å; Y757-V778 HydrophobicContact CE1-CG2 3.93Å; Y757-V778 HydrophobicContact CE2-CG2 4.36Å; Y757-V778 HydrophobicContact CG-CB 3.87Å; Y757-V778 HydrophobicContact CG-CG2 4.09Å; Y757-V778 WeakPolarHBondContact O-CB 3.31Å; Y757-V778 PolarHBondContact O-N 2.86Å; V778-Y780 WeakPolarHBondContact CG1-O 3.09Å
779	L	93	Very high	92.7	Very high	8 Å²	8	26.8 Å²	26.8	4%	0.042	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	-29.5	177.7	-54.1	-167.9	0	0	0	112	T81 L692 L695 F696 V700 Y723 V725 N777	T81-L779 HydrophobicContact CG2-CD2 3.74Å; L692-L779 HydrophobicContact CD2-CD2 4.44Å; L695-L779 HydrophobicContact CD2-CD1 3.75Å; F696-L779 HydrophobicContact CD2-CB 4.18Å; F696-L779 WeakPolarHBondContact CE2-O 3.32Å; V700-L779 HydrophobicContact CG2-CD1 4.19Å; Y723-L779 HydrophobicContact CD1-CB 4.18Å; Y723-L779 HydrophobicContact CD1-CD1 3.92Å; Y723-L779 HydrophobicContact CD1-CG 4.09Å; Y723-L779 HydrophobicContact CE1-CD1 3.86Å; Y723-L779 HydrophobicContact CE1-CG 4.44Å; Y723-L779 PolarHBondContact O-N 2.89Å; V725-L779 HydrophobicContact CG2-CD1 3.63Å; V725-L779 HydrophobicContact CG2-CD2 4.21Å; V725-L779 HydrophobicContact CG2-CG 3.9Å; N777-L779 VanDerWaalsContact ND2-CD2 3.35Å; N777-L779 WeakPolarHBondContact ND2-CD2 3.39Å; N777-L779 PolarHBondContact O-N 3.4Å
780	Y	94.1	Very high	93.1	Very high	79 Å²	79	26.2 Å²	26.2	31%	0.31	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	143.5	-179.5	178.5	-91	0	0	0	109.4	V700 I704 L721 A722 Y723 V778	V700-Y780 HydrophobicContact CG1-CG 4.3Å; I704-Y780 HydrophobicContact CD1-CD1 4.11Å; I704-Y780 HydrophobicContact CD1-CD2 3.79Å; I704-Y780 HydrophobicContact CD1-CE1 4.02Å; I704-Y780 HydrophobicContact CD1-CE2 3.68Å; I704-Y780 HydrophobicContact CD1-CG 4Å; I704-Y780 HydrophobicContact CG1-CE1 4.41Å; L721-Y780 HydrophobicContact CB-CD1 4.38Å; L721-Y780 HydrophobicContact CB-CE1 4.11Å; L721-Y780 HydrophobicContact CD2-CD1 4.07Å; L721-Y780 HydrophobicContact CD2-CE1 4.21Å; L721-Y780 HydrophobicContact CG-CD1 4.15Å; L721-Y780 HydrophobicContact CG-CE1 4.33Å; A722-Y780 WeakPolarHBondContact CA-O 3.24Å; Y723-Y780 PolarHBondContact N-O 3.35Å; V778-Y780 WeakPolarHBondContact CG1-O 3.09Å
781	S	93.5	Very high	93.6	Very high	38 Å²	38	25.4 Å²	25.4	27%	0.266	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	119.8	174.5	-179.9	0	0	0	0	112	L721 M783	L721-S781 CarbonylContact O-C 3.57Å; L721-S781 VanDerWaalsContact O-CA 3.29Å; L721-S781 WeakPolarHBondContact O-CA 3.43Å; S781-M783 PolarHBondContact OG-N 3.27Å
782	S	94.4	Very high	93.9	Very high	44 Å²	44	28.3 Å²	28.3	31%	0.308	17%	0.169	S	C	.	.			trans	-111.4	20	164.5	58.5	0	0	0	0	112.4	Q720 L721 G784	Q720-S782 PolarHBondContact NE2-O 3.19Å; Q720-S782 VanDerWaalsContact NE2-O 3.09Å; L721-S782 PolarHBondContact N-OG 3.38Å; L721-S782 PolarHBondContact O-N 3.14Å; L721-S782 PolarHBondContact O-OG 2.95Å; S782-G784 PolarHBondContact O-N 3.45Å
783	M	90.5	Very high	94.3	Very high	3 Å²	3	27.2 Å²	27.2	2%	0.015	16%	0.16	C	C	.	.	S	Bend	trans	-73.1	-18.9	-173.3	-72.5	-69.2	-68.1	0	0	115.5	R679 V681 Q720 A722 S781 L785 M790	R679-M783 HydrophobicContact CB-CE 4.12Å; R679-M783 HydrophobicContact CB-SD 4.2Å; R679-M783 HydrophobicContact CG-CE 4.42Å; V681-M783 HydrophobicContact CG2-CE 3.78Å; V681-M783 HydrophobicContact CG2-SD 4.22Å; Q720-M783 HydrophobicContact CB-SD 3.8Å; Q720-M783 PolarHBondContact NE2-O 3.33Å; A722-M783 HydrophobicContact CB-CG 3.56Å; S781-M783 PolarHBondContact OG-N 3.27Å; M783-L785 HydrophobicContact CB-CB 4.29Å; M783-L785 HydrophobicContact CB-CD1 4.37Å; M783-L785 HydrophobicContact CB-CG 4.17Å; M783-L785 HydrophobicContact CE-CD1 3.67Å; M783-L785 HydrophobicContact CE-CG 4.44Å; M783-L785 PolarHBondContact O-N 2.97Å; M783-L785 VanDerWaalsContact O-N 3.11Å; M783-M790 HydrophobicContact CB-SD 4.37Å; M783-M790 HydrophobicContact CG-SD 4.47Å
784	G	88	Confident	94.5	Very high	79 Å²	79	27.1 Å²	27.1	81%	0.814	16%	0.16	S	C	*	.			trans	60.9	15.3	-172.7	0	0	0	0	0	114.4	S782	S782-G784 PolarHBondContact O-N 3.45Å
785	L	91.1	Very high	94.6	Very high	35 Å²	35	27.4 Å²	27.4	18%	0.183	16%	0.161	C	C	.	.			trans	-95.9	131.4	179.7	-68.1	-179.4	0	0	0	110.5	L605 M783 K789 M790	L605-L785 HydrophobicContact CD1-CD1 4.1Å; L605-L785 HydrophobicContact CD2-CD2 4.44Å; M783-L785 HydrophobicContact CB-CB 4.29Å; M783-L785 HydrophobicContact CB-CD1 4.37Å; M783-L785 HydrophobicContact CB-CG 4.17Å; M783-L785 HydrophobicContact CE-CD1 3.67Å; M783-L785 HydrophobicContact CE-CG 4.44Å; M783-L785 PolarHBondContact O-N 2.97Å; M783-L785 VanDerWaalsContact O-N 3.11Å; L785-K789 HydrophobicContact CB-CB 4.14Å; L785-K789 HydrophobicContact CD2-CB 4.24Å; L785-K789 HydrophobicContact CD2-CD 4.08Å; L785-M790 HydrophobicContact CB-CG 3.94Å; L785-M790 HydrophobicContact CB-SD 3.82Å; L785-M790 HydrophobicContact CD1-SD 3.76Å; L785-M790 HydrophobicContact CG-SD 4.39Å
786	S	93.5	Very high	94.7	Very high	33 Å²	33	27.6 Å²	27.6	23%	0.231	16%	0.16	C	C	.	.			trans	-62.4	157.8	172.9	53.8	0	0	0	0	112	E788 K789 M790	S786-E788 VanDerWaalsContact C-N 3.31Å; S786-E788 WeakPolarHBondContact CB-OE1 3.4Å; S786-E788 PolarHBondContact O-N 2.87Å; S786-E788 PolarHBondContact OG-OE1 3.16Å; S786-K789 WeakPolarHBondContact O-CB 3.34Å; S786-K789 PolarHBondContact O-N 3.31Å; S786-K789 VanDerWaalsContact OG-CD 3.28Å; S786-K789 WeakPolarHBondContact OG-CD 3.44Å; S786-K789 WeakPolarHBondContact OG-CE 3.18Å; S786-K789 WeakPolarHBondContact OG-CG 3.49Å; S786-M790 PolarHBondContact O-N 2.93Å; S786-M790 VanDerWaalsContact O-N 3.13Å
787	P	93.9	Very high	94.8	Very high	14 Å²	14	27.6 Å²	27.6	9%	0.091	16%	0.16	C	C	.	.	H	α-helix	trans	-53.8	-41.3	-177.6	-28.5	35.8	0	0	0	114.2	L86 K89 Y757 K789 M790 Q791	L86-P787 HydrophobicContact CD1-CG 4.24Å; K89-P787 WeakPolarHBondContact O-CB 3.4Å; Y757-P787 HydrophobicContact CE2-CB 4.22Å; Y757-P787 HydrophobicContact CE2-CG 4.29Å; Y757-P787 WeakPolarHBondContact OH-CA 3.33Å; P787-K789 VanDerWaalsContact C-N 3.29Å; P787-K789 PolarHBondContact O-N 2.84Å; P787-M790 PolarHBondContact O-N 3.21Å; P787-Q791 WeakPolarHBondContact O-CB 3.48Å; P787-Q791 WeakPolarHBondContact O-CG 3.36Å; P787-Q791 PolarHBondContact O-N 3.13Å
788	E	94.1	Very high	95	Very high	27 Å²	27	27.3 Å²	27.3	13%	0.126	16%	0.158	C	C	.	.	H	α-helix	trans	-64.2	-32.7	177.1	73.4	-96.3	127.4	0	0	113.2	T92 D93 S786 Q791 K792	T92-E788 PolarHBondContact N-OE2 3.38Å; T92-E788 PolarHBondContact OG1-OE2 2.99Å; D93-E788 HydrophobicContact CB-CB 4.02Å; D93-E788 HydrophobicContact CB-CG 4.2Å; D93-E788 WeakPolarHBondContact OD2-CG 3.24Å; S786-E788 VanDerWaalsContact C-N 3.31Å; S786-E788 WeakPolarHBondContact CB-OE1 3.4Å; S786-E788 PolarHBondContact O-N 2.87Å; S786-E788 PolarHBondContact OG-OE1 3.16Å; E788-Q791 PolarHBondContact O-N 2.55Å; E788-K792 WeakPolarHBondContact O-CB 3.45Å; E788-K792 PolarHBondContact O-N 2.96Å
789	K	95.3	Very high	95.1	Very high	110 Å²	110	27.2 Å²	27.2	48%	0.478	16%	0.157	S	C	.	.	H	α-helix	trans	-71.2	-40.8	178.4	-66.3	173.3	-168.9	170	0	110.6	L785 S786 P787 L793	L785-K789 HydrophobicContact CB-CB 4.14Å; L785-K789 HydrophobicContact CD2-CB 4.24Å; L785-K789 HydrophobicContact CD2-CD 4.08Å; S786-K789 WeakPolarHBondContact O-CB 3.34Å; S786-K789 PolarHBondContact O-N 3.31Å; S786-K789 VanDerWaalsContact OG-CD 3.28Å; S786-K789 WeakPolarHBondContact OG-CD 3.44Å; S786-K789 WeakPolarHBondContact OG-CE 3.18Å; S786-K789 WeakPolarHBondContact OG-CG 3.49Å; P787-K789 VanDerWaalsContact C-N 3.29Å; P787-K789 PolarHBondContact O-N 2.84Å; K789-L793 WeakPolarHBondContact O-CB 3.41Å; K789-L793 PolarHBondContact O-N 3.4Å
790	M	95.8	Very high	95.4	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-64.3	-42.9	173.3	-68.8	-60.1	-67.7	0	0	112.1	A722 I724 M783 L785 S786 P787 T794	A722-M790 HydrophobicContact CB-CE 3.55Å; I724-M790 HydrophobicContact CD1-CE 3.71Å; M783-M790 HydrophobicContact CB-SD 4.37Å; M783-M790 HydrophobicContact CG-SD 4.47Å; L785-M790 HydrophobicContact CB-CG 3.94Å; L785-M790 HydrophobicContact CB-SD 3.82Å; L785-M790 HydrophobicContact CD1-SD 3.76Å; L785-M790 HydrophobicContact CG-SD 4.39Å; S786-M790 PolarHBondContact O-N 2.93Å; S786-M790 VanDerWaalsContact O-N 3.13Å; P787-M790 PolarHBondContact O-N 3.21Å; M790-T794 WeakPolarHBondContact O-CB 3.41Å; M790-T794 PolarHBondContact O-N 2.9Å; M790-T794 PolarHBondContact O-OG1 2.78Å
791	Q	97.4	Very high	95.6	Very high	0 Å²	0	24 Å²	24	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-63.9	-48.5	175.6	-73.7	167.3	9.2	0	0	112.4	I746 D748 F759 P787 E788 T794 Y795	I746-Q791 HydrophobicContact CD1-CB 3.64Å; I746-Q791 HydrophobicContact CD1-CG 3.99Å; D748-Q791 PolarHBondContact OD2-NE2 3.36Å; F759-Q791 HydrophobicContact CD1-CG 4.04Å; F759-Q791 HydrophobicContact CD2-CG 3.9Å; F759-Q791 HydrophobicContact CE1-CG 4.05Å; F759-Q791 HydrophobicContact CE2-CB 4.45Å; F759-Q791 HydrophobicContact CE2-CG 3.91Å; F759-Q791 HydrophobicContact CG-CG 3.97Å; F759-Q791 HydrophobicContact CZ-CG 3.98Å; P787-Q791 WeakPolarHBondContact O-CB 3.48Å; P787-Q791 WeakPolarHBondContact O-CG 3.36Å; P787-Q791 PolarHBondContact O-N 3.13Å; E788-Q791 PolarHBondContact O-N 2.55Å; Q791-T794 WeakPolarHBondContact O-CB 3.24Å; Q791-T794 PolarHBondContact O-N 3.32Å; Q791-Y795 PolarHBondContact O-N 2.9Å
792	K	96.9	Very high	95.8	Very high	66 Å²	66	22.4 Å²	22.4	29%	0.287	13%	0.133	S	C	.	.	H	α-helix	trans	-65.6	-38.6	179.3	-173.6	161.4	63.6	-172.7	0	111.8	D93 I438 E788 Y795 K796	D93-K792 IonicContact OD1-NZ 3.62Å; D93-K792 WeakPolarHBondContact OD2-CE 3.34Å; D93-K792 IonicContact OD2-NZ 3.13Å; D93-K792 PolarHBondContact OD2-NZ 3.46Å; I438-K792 HydrophobicContact CD1-CB 4.18Å; I438-K792 HydrophobicContact CG2-CG 4.42Å; E788-K792 WeakPolarHBondContact O-CB 3.45Å; E788-K792 PolarHBondContact O-N 2.96Å; K792-Y795 PolarHBondContact O-N 2.7Å; K792-K796 WeakPolarHBondContact O-CG 3.41Å; K792-K796 PolarHBondContact O-N 2.91Å
793	L	97.4	Very high	95.8	Very high	7 Å²	7	23 Å²	23	4%	0.037	13%	0.132	C	C	.	.	H	α-helix	trans	-60.6	-49.8	168.8	177.3	60	0	0	0	111.1	L603 L605 L608 V681 K789 Y795 K796 M797	L603-L793 HydrophobicContact CD1-CD1 3.61Å; L605-L793 HydrophobicContact CD1-CD1 4.27Å; L605-L793 HydrophobicContact CD1-CD2 3.89Å; L608-L793 HydrophobicContact CD2-CD1 4.06Å; L608-L793 HydrophobicContact CD2-CD2 4.24Å; V681-L793 HydrophobicContact CG2-CD2 4.09Å; K789-L793 WeakPolarHBondContact O-CB 3.41Å; K789-L793 PolarHBondContact O-N 3.4Å; L793-Y795 VanDerWaalsContact C-N 3.28Å; L793-Y795 PolarHBondContact O-N 3.23Å; L793-K796 WeakPolarHBondContact O-CB 3.25Å; L793-K796 PolarHBondContact O-N 3.21Å; L793-K796 VanDerWaalsContact O-N 3.15Å; L793-M797 HydrophobicContact CD1-CG 4.13Å; L793-M797 HydrophobicContact CD1-SD 4.23Å; L793-M797 HydrophobicContact CG-CG 4.49Å; L793-M797 WeakPolarHBondContact O-CG 3.48Å; L793-M797 PolarHBondContact O-N 2.94Å
794	T	98.2	Very high	96.1	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-55.7	-43.1	177.8	-56.5	0	0	0	0	111.7	Y683 F759 L761 Y776 M790 Q791 M797 C798 P811	Y683-T794 HydrophobicContact CE1-CG2 4.02Å; Y683-T794 WeakPolarHBondContact OH-CA 3.49Å; Y683-T794 PolarHBondContact OH-OG1 2.86Å; Y683-T794 VanDerWaalsContact OH-OG1 3.08Å; F759-T794 HydrophobicContact CE2-CG2 4.42Å; F759-T794 HydrophobicContact CZ-CG2 4.24Å; L761-T794 HydrophobicContact CD2-CG2 4.16Å; Y776-T794 HydrophobicContact CD1-CG2 3.63Å; Y776-T794 HydrophobicContact CD2-CG2 4.33Å; Y776-T794 HydrophobicContact CE1-CG2 3.32Å; Y776-T794 HydrophobicContact CE2-CG2 4.09Å; Y776-T794 HydrophobicContact CG-CG2 4.13Å; M790-T794 WeakPolarHBondContact O-CB 3.41Å; M790-T794 PolarHBondContact O-N 2.9Å; M790-T794 PolarHBondContact O-OG1 2.78Å; Q791-T794 WeakPolarHBondContact O-CB 3.24Å; Q791-T794 PolarHBondContact O-N 3.32Å; T794-M797 PolarHBondContact O-N 3.45Å; T794-C798 PolarHBondContact O-N 3.39Å; T794-C798 PolarHBondContact O-SG 3.44Å; T794-P811 HydrophobicContact CG2-CG 4.32Å
795	Y	98.1	Very high	96.3	Very high	7 Å²	7	24.5 Å²	24.5	3%	0.027	12%	0.115	C	C	.	.	H	α-helix	trans	-67.5	-43.9	176.1	-173.9	-135.7	0	0	0	112.6	I438 Q441 P743 G744 L761 Q791 K792 L793 M797 C798 H799 T807	I438-Y795 HydrophobicContact CB-CD1 4.05Å; I438-Y795 HydrophobicContact CB-CE1 4.35Å; I438-Y795 HydrophobicContact CG2-CD1 3.89Å; I438-Y795 HydrophobicContact CG2-CE1 4.34Å; Q441-Y795 HydrophobicContact CG-CD1 4.16Å; Q441-Y795 HydrophobicContact CG-CE1 4.08Å; P743-Y795 VanDerWaalsContact C-OH 3.29Å; P743-Y795 WeakPolarHBondContact CB-OH 3.22Å; G744-Y795 VanDerWaalsContact CA-CZ 3.45Å; G744-Y795 PolarHBondContact N-OH 3.4Å; L761-Y795 HydrophobicContact CD1-CD2 4.06Å; L761-Y795 HydrophobicContact CD1-CG 4.4Å; L761-Y795 HydrophobicContact CD2-CD2 4.27Å; Q791-Y795 PolarHBondContact O-N 2.9Å; K792-Y795 PolarHBondContact O-N 2.7Å; L793-Y795 VanDerWaalsContact C-N 3.28Å; L793-Y795 PolarHBondContact O-N 3.23Å; Y795-M797 VanDerWaalsContact C-N 3.29Å; Y795-M797 PolarHBondContact O-N 3.06Å; Y795-C798 VanDerWaalsContact O-CB 3.32Å; Y795-C798 WeakPolarHBondContact O-CB 3.42Å; Y795-C798 PolarHBondContact O-N 3.17Å; Y795-H799 AromaticContact CD2-CE1 3.89Å; Y795-H799 AromaticContact CE1-CE1 3.82Å; Y795-H799 AromaticContact CE2-CE1 3.66Å; Y795-H799 AromaticContact CZ-CE1 3.63Å; Y795-H799 PolarHBondContact O-CE1 2.76Å; Y795-H799 VanDerWaalsContact O-CE1 3.32Å; Y795-H799 PolarHBondContact O-ND1 2.87Å; Y795-T807 HydrophobicContact CE2-CG2 3.98Å
796	K	97.9	Very high	96.6	Very high	21 Å²	21	22.9 Å²	22.9	9%	0.091	11%	0.106	C	C	.	.	H	α-helix	trans	-54.2	-44.9	172	-77.4	176.4	178.9	-66.8	0	111.7	Q441 I601 E602 K792 L793 C798 H799	Q441-K796 VanDerWaalsContact OE1-CG 3.27Å; I601-K796 HydrophobicContact CG1-CB 3.99Å; I601-K796 HydrophobicContact CG1-CG 3.91Å; I601-K796 HydrophobicContact CG2-CB 4.32Å; E602-K796 WeakPolarHBondContact O-CD 3.49Å; E602-K796 VanDerWaalsContact O-CE 3.23Å; E602-K796 WeakPolarHBondContact O-CE 3.17Å; E602-K796 PolarHBondContact O-NZ 2.88Å; K792-K796 WeakPolarHBondContact O-CG 3.41Å; K792-K796 PolarHBondContact O-N 2.91Å; L793-K796 WeakPolarHBondContact O-CB 3.25Å; L793-K796 PolarHBondContact O-N 3.21Å; L793-K796 VanDerWaalsContact O-N 3.15Å; K796-C798 PolarHBondContact O-N 3.01Å; K796-H799 WeakPolarHBondContact O-CB 3.41Å; K796-H799 PolarHBondContact O-N 3.06Å; K796-H799 PolarHBondContact O-ND1 2.81Å
797	M	98.3	Very high	96.7	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-66.7	-17	178.6	-59.5	-45.1	-74.7	0	0	113.8	T610 L635 L793 T794 Y795 H799 L800 P811 A812	T610-M797 HydrophobicContact CG2-CE 3.91Å; T610-M797 HydrophobicContact CG2-CG 4.49Å; L635-M797 HydrophobicContact CD1-CE 3.78Å; L793-M797 HydrophobicContact CD1-CG 4.13Å; L793-M797 HydrophobicContact CD1-SD 4.23Å; L793-M797 HydrophobicContact CG-CG 4.49Å; L793-M797 WeakPolarHBondContact O-CG 3.48Å; L793-M797 PolarHBondContact O-N 2.94Å; T794-M797 PolarHBondContact O-N 3.45Å; Y795-M797 VanDerWaalsContact C-N 3.29Å; Y795-M797 PolarHBondContact O-N 3.06Å; M797-H799 VanDerWaalsContact C-N 3.26Å; M797-H799 PolarHBondContact O-N 2.92Å; M797-L800 HydrophobicContact CE-CD1 3.86Å; M797-L800 HydrophobicContact SD-CD1 4Å; M797-P811 HydrophobicContact CB-CB 4Å; M797-A812 WeakPolarHBondContact O-CB 3.28Å; M797-A812 PolarHBondContact O-N 2.97Å
798	C	98.2	Very high	96.8	Very high	0 Å²	0	21 Å²	21	0%	0	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-6	169.8	-68.5	0	0	0	0	114.4	T794 Y795 K796 T807 T808 V810	T794-C798 PolarHBondContact O-N 3.39Å; T794-C798 PolarHBondContact O-SG 3.44Å; Y795-C798 VanDerWaalsContact O-CB 3.32Å; Y795-C798 WeakPolarHBondContact O-CB 3.42Å; Y795-C798 PolarHBondContact O-N 3.17Å; K796-C798 PolarHBondContact O-N 3.01Å; C798-T807 WeakPolarHBondContact O-CA 3.27Å; C798-T808 WeakPolarHBondContact CB-O 3.35Å; C798-T808 PolarHBondContact O-N 2.83Å; C798-T808 PolarHBondContact O-OG1 3.48Å; C798-V810 VanDerWaalsContact SG-C 3.57Å
799	H	98.3	Very high	96.9	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-6.6	-179.9	-63.9	70.2	0	0	0	113.8	I443 W458 W599 I601 Y795 K796 M797 T807	I443-H799 HydrophobicContact CD1-CB 4.33Å; W458-H799 HydrophobicContact CH2-CB 3.86Å; W458-H799 AromaticContact CH2-CD2 3.72Å; W458-H799 HydrophobicContact CZ2-CB 4.5Å; W458-H799 WeakPolarHBondContact CZ2-O 3.32Å; W458-H799 AromaticContact CZ3-CD2 3.67Å; W599-H799 PolarHBondContact NE1-O 2.93Å; I601-H799 HydrophobicContact CD1-CB 4.1Å; Y795-H799 AromaticContact CD2-CE1 3.89Å; Y795-H799 AromaticContact CE1-CE1 3.82Å; Y795-H799 AromaticContact CE2-CE1 3.66Å; Y795-H799 AromaticContact CZ-CE1 3.63Å; Y795-H799 PolarHBondContact O-CE1 2.76Å; Y795-H799 VanDerWaalsContact O-CE1 3.32Å; Y795-H799 PolarHBondContact O-ND1 2.87Å; K796-H799 WeakPolarHBondContact O-CB 3.41Å; K796-H799 PolarHBondContact O-N 3.06Å; K796-H799 PolarHBondContact O-ND1 2.81Å; M797-H799 VanDerWaalsContact C-N 3.26Å; M797-H799 PolarHBondContact O-N 2.92Å; H799-T807 WeakPolarHBondContact NE2-CG2 3.48Å
800	L	98.1	Very high	97	Very high	0 Å²	0	17 Å²	17	0%	0	7%	0.074	C	C	.	.			trans	-104.6	21.4	-164.8	-62.7	177.7	0	0	0	115.4	M600 I601 L635 M797 A812 Y816	M600-L800 HydrophobicContact CE-CD2 4.21Å; M600-L800 HydrophobicContact SD-CD1 3.98Å; M600-L800 HydrophobicContact SD-CD2 3.6Å; M600-L800 HydrophobicContact SD-CG 4.46Å; I601-L800 HydrophobicContact CB-CD2 3.95Å; I601-L800 HydrophobicContact CB-CG 4.45Å; 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 3.74Å; M797-L800 HydrophobicContact CE-CD1 3.86Å; M797-L800 HydrophobicContact SD-CD1 4Å; L800-A812 HydrophobicContact CB-CB 3.75Å; L800-A812 WeakPolarHBondContact O-CB 3.11Å; L800-Y816 WeakPolarHBondContact O-CE2 3.21Å; L800-Y816 PolarHBondContact O-OH 2.81Å
801	Y	98.2	Very high	97.1	Very high	21 Å²	21	17 Å²	17	8%	0.082	7%	0.074	C	C	.	.			trans	-97.1	95.2	178.8	178.3	-105.1	0	0	0	111.2	N803 W804 T808 Q815 Y816 L843	Y801-N803 HydrophobicContact CD1-CB 4.27Å; Y801-N803 HydrophobicContact CE1-CB 3.52Å; Y801-N803 HydrophobicContact CE2-CB 4.44Å; Y801-N803 PolarHBondContact O-N 2.86Å; Y801-W804 HydrophobicContact CD1-CB 3.86Å; Y801-W804 HydrophobicContact CE1-CB 4.29Å; Y801-W804 PolarHBondContact O-N 2.85Å; Y801-T808 HydrophobicContact CD1-CG2 3.61Å; Y801-T808 HydrophobicContact CG-CG2 3.96Å; Y801-Q815 HydrophobicContact CD1-CG 4.03Å; Y801-Q815 HydrophobicContact CD2-CB 3.85Å; Y801-Q815 HydrophobicContact CD2-CG 3.64Å; Y801-Q815 HydrophobicContact CE1-CG 3.98Å; Y801-Q815 HydrophobicContact CE2-CB 4.16Å; Y801-Q815 HydrophobicContact CE2-CG 3.6Å; Y801-Q815 HydrophobicContact CG-CB 4.22Å; Y801-Q815 HydrophobicContact CG-CG 3.85Å; Y801-Y816 AromaticContact CD2-CD1 3.61Å; Y801-Y816 HydrophobicContact CD2-CD1 3.61Å; Y801-Y816 AromaticContact CD2-CE1 3.49Å; Y801-Y816 HydrophobicContact CD2-CE1 3.49Å; Y801-Y816 VanDerWaalsContact CD2-CE1 3.49Å; Y801-Y816 HydrophobicContact CD2-CE2 4.42Å; Y801-Y816 HydrophobicContact CD2-CG 4.13Å; Y801-Y816 AromaticContact CD2-CZ 3.93Å; Y801-Y816 AromaticContact CE2-CD1 3.66Å; Y801-Y816 HydrophobicContact CE2-CD1 3.66Å; Y801-Y816 AromaticContact CE2-CE1 3.79Å; Y801-Y816 HydrophobicContact CE2-CE1 3.79Å; Y801-Y816 HydrophobicContact CE2-CG 4.42Å; Y801-L843 HydrophobicContact CE2-CD2 3.97Å
802	Y	97.8	Very high	97.1	Very high	3 Å²	3	17 Å²	17	1%	0.012	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-14.2	-163.6	-53	-37.6	0	0	0	115.9	I588 C592 T597 P598 W599 M600 Y641 W804 Y816 F840	I588-Y802 WeakPolarHBondContact CG2-O 3.34Å; C592-Y802 WeakPolarHBondContact SG-CB 3.42Å; T597-Y802 HydrophobicContact CG2-CE1 4.43Å; T597-Y802 HydrophobicContact CG2-CE2 4.18Å; T597-Y802 WeakPolarHBondContact CG2-OH 3.25Å; P598-Y802 HydrophobicContact CG-CD2 4.47Å; P598-Y802 HydrophobicContact CG-CG 4.2Å; W599-Y802 AromaticContact CD2-CD1 3.93Å; W599-Y802 HydrophobicContact CD2-CD1 3.93Å; W599-Y802 HydrophobicContact CD2-CE1 4.35Å; W599-Y802 AromaticContact CE2-CD1 3.74Å; W599-Y802 HydrophobicContact CE3-CD1 4.22Å; W599-Y802 HydrophobicContact CG-CE1 4.47Å; W599-Y802 HydrophobicContact CH2-CD1 4.26Å; W599-Y802 WeakPolarHBondContact CH2-O 3.44Å; W599-Y802 AromaticContact CZ2-CD1 3.93Å; W599-Y802 HydrophobicContact CZ2-CD1 3.93Å; W599-Y802 HydrophobicContact CZ3-CD1 4.37Å; W599-Y802 VanDerWaalsContact O-CE1 3.24Å; W599-Y802 WeakPolarHBondContact O-CE1 3.42Å; W599-Y802 PolarHBondContact O-OH 2.93Å; M600-Y802 VanDerWaalsContact CE-OH 3.32Å; M600-Y802 WeakPolarHBondContact CE-OH 3.37Å; Y641-Y802 HydrophobicContact CE2-CE2 4.4Å; Y802-W804 PolarHBondContact O-N 3.08Å; Y802-Y816 WeakPolarHBondContact CD2-OH 3.32Å; Y802-Y816 VanDerWaalsContact CG-OH 3.24Å; Y802-Y816 PolarHBondContact N-OH 3.42Å; Y802-F840 HydrophobicContact CD2-CD2 4.42Å; Y802-F840 AromaticContact CD2-CE2 3.77Å; Y802-F840 HydrophobicContact CD2-CE2 3.77Å; Y802-F840 AromaticContact CD2-CZ 3.83Å; Y802-F840 HydrophobicContact CD2-CZ 3.83Å; Y802-F840 AromaticContact CE2-CE2 3.65Å; Y802-F840 HydrophobicContact CE2-CE2 3.65Å; Y802-F840 AromaticContact CE2-CZ 3.61Å; Y802-F840 HydrophobicContact CE2-CZ 3.61Å
803	N	95.8	Very high	97.2	Very high	56 Å²	56	13.8 Å²	13.8	30%	0.299	6%	0.06	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-0.7	171	-107.9	22.5	0	0	0	113.6	Y801 L843	Y801-N803 HydrophobicContact CD1-CB 4.27Å; Y801-N803 HydrophobicContact CE1-CB 3.52Å; Y801-N803 HydrophobicContact CE2-CB 4.44Å; Y801-N803 PolarHBondContact O-N 2.86Å; N803-L843 HydrophobicContact CB-CD2 4.14Å
804	W	95.5	Very high	97.2	Very high	107 Å²	107	13.5 Å²	13.5	41%	0.405	6%	0.058	S	C	.	.	S	Bend	trans	-139.9	117.5	176	-174.7	-106.3	0	0	0	110	W599 Y801 Y802 G806 T807 T808	W599-W804 WeakPolarHBondContact CH2-O 3.47Å; W599-W804 WeakPolarHBondContact CZ2-O 3.34Å; Y801-W804 HydrophobicContact CD1-CB 3.86Å; Y801-W804 HydrophobicContact CE1-CB 4.29Å; Y801-W804 PolarHBondContact O-N 2.85Å; Y802-W804 PolarHBondContact O-N 3.08Å; W804-G806 VanDerWaalsContact CD1-C 3.47Å; W804-G806 VanDerWaalsContact CD1-O 3.27Å; W804-G806 PolarHBondContact O-N 3.11Å; W804-T807 PolarHBondContact NE1-O 3.2Å; W804-T808 HydrophobicContact CB-CG2 4.27Å; W804-T808 HydrophobicContact CG-CG2 4.47Å
805	S	93.6	Very high	97.2	Very high	8 Å²	8	15.7 Å²	15.7	6%	0.056	7%	0.068	C	C	.	.	S	Bend	trans	-78	51.2	-178.9	54.4	0	0	0	0	112.5	W458 Q459	W458-S805 PolarHBondContact N-O 3.09Å; Q459-S805 VanDerWaalsContact CB-OG 3.25Å; Q459-S805 WeakPolarHBondContact CB-OG 3.27Å; Q459-S805 WeakPolarHBondContact CG-OG 3.41Å
806	G	95.8	Very high	97.2	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.067	C	C	.	.	B	Isolated β-bridge	trans	-175.9	-179.7	-172.4	0	0	0	0	0	110.8	A456 W458 W804	A456-G806 CarbonylContact O-C 3.51Å; A456-G806 WeakPolarHBondContact O-CA 3.26Å; W458-G806 WeakPolarHBondContact CH2-O 3.5Å; W458-G806 VanDerWaalsContact CZ3-C 3.5Å; W804-G806 VanDerWaalsContact CD1-C 3.47Å; W804-G806 VanDerWaalsContact CD1-O 3.27Å; W804-G806 PolarHBondContact O-N 3.11Å
807	T	96.8	Very high	97.2	Very high	2 Å²	2	14.3 Å²	14.3	1%	0.012	6%	0.063	C	C	.	.			trans	-69.9	140.9	174.5	42.9	0	0	0	0	113.4	A456 S763 Q764 Y795 C798 H799 W804	A456-T807 HydrophobicContact CB-CG2 3.7Å; A456-T807 WeakPolarHBondContact CB-OG1 3.27Å; A456-T807 PolarHBondContact O-N 2.91Å; S763-T807 WeakPolarHBondContact O-CB 3.44Å; S763-T807 PolarHBondContact O-OG1 2.91Å; Q764-T807 WeakPolarHBondContact CG-O 3.29Å; Q764-T807 PolarHBondContact NE2-O 3.22Å; Y795-T807 HydrophobicContact CE2-CG2 3.98Å; C798-T807 WeakPolarHBondContact O-CA 3.27Å; H799-T807 WeakPolarHBondContact NE2-CG2 3.48Å; W804-T807 PolarHBondContact NE1-O 3.2Å
808	T	96.5	Very high	97.1	Very high	7 Å²	7	17.6 Å²	17.6	4%	0.043	8%	0.077	C	C	.	.			trans	-101	151	171.2	50.4	0	0	0	0	113.5	S763 C798 Y801 W804 V810	S763-T808 WeakPolarHBondContact CB-O 3.46Å; S763-T808 PolarHBondContact OG-O 3.44Å; C798-T808 WeakPolarHBondContact CB-O 3.35Å; C798-T808 PolarHBondContact O-N 2.83Å; C798-T808 PolarHBondContact O-OG1 3.48Å; Y801-T808 HydrophobicContact CD1-CG2 3.61Å; Y801-T808 HydrophobicContact CG-CG2 3.96Å; W804-T808 HydrophobicContact CB-CG2 4.27Å; W804-T808 HydrophobicContact CG-CG2 4.47Å; T808-V810 PolarHBondContact O-N 2.99Å; T808-V810 VanDerWaalsContact O-N 3.1Å; T808-V810 PolarHBondContact OG1-O 3.49Å
809	R	94.8	Very high	97.1	Very high	51 Å²	51	20 Å²	20	19%	0.192	9%	0.087	C	C	.	.	S	Bend	trans	-58.4	-21.7	-179.7	179.6	169.4	-179.4	-166.8	3.8	115.2	S729 S763 Q764 S772 P773 T774	S729-R809 PolarHBondContact O-NH2 3.4Å; S763-R809 VanDerWaalsContact OG-CA 3.29Å; S763-R809 WeakPolarHBondContact OG-CA 3.47Å; S763-R809 PolarHBondContact OG-O 2.92Å; Q764-R809 HydrophobicContact CB-CB 4.28Å; S772-R809 VanDerWaalsContact CB-NH2 3.3Å; S772-R809 PolarHBondContact O-NE 3.43Å; S772-R809 PolarHBondContact O-NH2 3.33Å; P773-R809 PolarHBondContact O-NH2 3.45Å; T774-R809 WeakPolarHBondContact CB-O 3.37Å; T774-R809 WeakPolarHBondContact OG1-CG 3.24Å; T774-R809 PolarHBondContact OG1-NE 3.42Å; T774-R809 PolarHBondContact OG1-O 3.02Å
810	V	97	Very high	97.1	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.087	C	C	.	.	S	Bend	trans	-131.1	164.6	176.3	-60.2	0	0	0	0	109.3	V726 R728 T774 C798 T808 C814 Q815	V726-V810 HydrophobicContact CG1-CB 4.19Å; V726-V810 HydrophobicContact CG1-CG1 3.8Å; R728-V810 HydrophobicContact CG-CG1 4.18Å; T774-V810 HydrophobicContact CG2-CG1 4.24Å; C798-V810 VanDerWaalsContact SG-C 3.57Å; T808-V810 PolarHBondContact O-N 2.99Å; T808-V810 VanDerWaalsContact O-N 3.1Å; T808-V810 PolarHBondContact OG1-O 3.49Å; V810-C814 HydrophobicContact CB-CB 4.24Å; V810-C814 HydrophobicContact CG2-CB 3.9Å; V810-Q815 HydrophobicContact CG2-CB 3.97Å
811	P	98.4	Very high	96.9	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.087	C	C	.	.			trans	-57.5	146.7	174.8	-25.7	37.4	0	0	0	111.3	Y683 Y776 T794 M797 V813 C814 Q815	Y683-P811 HydrophobicContact CD1-CG 3.87Å; Y683-P811 HydrophobicContact CD2-CB 4.12Å; Y683-P811 HydrophobicContact CD2-CG 4.2Å; Y683-P811 HydrophobicContact CE1-CG 3.89Å; Y683-P811 HydrophobicContact CE2-CB 4.21Å; Y683-P811 HydrophobicContact CE2-CG 4.22Å; Y683-P811 HydrophobicContact CG-CB 4.34Å; Y683-P811 HydrophobicContact CG-CG 4.03Å; Y776-P811 HydrophobicContact CE1-CG 3.91Å; T794-P811 HydrophobicContact CG2-CG 4.32Å; M797-P811 HydrophobicContact CB-CB 4Å; P811-V813 VanDerWaalsContact C-N 3.26Å; P811-V813 HydrophobicContact CB-CG2 4.35Å; P811-V813 PolarHBondContact O-N 3.15Å; P811-C814 WeakPolarHBondContact O-CB 3.49Å; P811-C814 PolarHBondContact O-N 2.88Å; P811-Q815 PolarHBondContact O-N 3.09Å
812	A	98.3	Very high	96.8	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-55.2	-41.1	-172.4	0	0	0	0	0	112.7	M797 L800 C814 Q815 Y816	M797-A812 WeakPolarHBondContact O-CB 3.28Å; M797-A812 PolarHBondContact O-N 2.97Å; L800-A812 HydrophobicContact CB-CB 3.75Å; L800-A812 WeakPolarHBondContact O-CB 3.11Å; A812-C814 VanDerWaalsContact C-N 3.32Å; A812-C814 PolarHBondContact O-N 3.26Å; A812-Q815 CarbonylContact O-C 3.48Å; A812-Q815 PolarHBondContact O-N 2.71Å; A812-Y816 HydrophobicContact CB-CD2 4.19Å; A812-Y816 HydrophobicContact CB-CE2 3.85Å; A812-Y816 WeakPolarHBondContact O-CB 3.34Å; A812-Y816 WeakPolarHBondContact O-CD2 3.47Å; A812-Y816 PolarHBondContact O-N 3.49Å
813	V	98.4	Very high	96.8	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-58.4	-37.9	177	-66.1	0	0	0	0	113.3	T610 I630 Y641 Y683 P811 A817	T610-V813 HydrophobicContact CG2-CG1 4.39Å; T610-V813 HydrophobicContact CG2-CG2 4.02Å; I630-V813 HydrophobicContact CG2-CG1 4.4Å; Y641-V813 HydrophobicContact CD1-CG1 4.21Å; Y641-V813 HydrophobicContact CE1-CG1 3.74Å; Y683-V813 HydrophobicContact CD2-CG2 4.02Å; P811-V813 VanDerWaalsContact C-N 3.26Å; P811-V813 HydrophobicContact CB-CG2 4.35Å; P811-V813 PolarHBondContact O-N 3.15Å; V813-A817 VanDerWaalsContact O-CB 3.25Å; V813-A817 WeakPolarHBondContact O-CB 3.43Å; V813-A817 PolarHBondContact O-N 3.36Å
814	C	97.9	Very high	96.9	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-68.8	-40.8	173.5	-58	0	0	0	0	111.2	Y683 D685 V810 P811 A812 A817 K818	Y683-C814 WeakPolarHBondContact CB-SG 3.45Å; D685-C814 HydrophobicContact CB-CB 4.3Å; V810-C814 HydrophobicContact CB-CB 4.24Å; V810-C814 HydrophobicContact CG2-CB 3.9Å; P811-C814 WeakPolarHBondContact O-CB 3.49Å; P811-C814 PolarHBondContact O-N 2.88Å; A812-C814 VanDerWaalsContact C-N 3.32Å; A812-C814 PolarHBondContact O-N 3.26Å; C814-A817 PolarHBondContact O-N 3.04Å; C814-K818 VanDerWaalsContact O-CB 3.23Å; C814-K818 WeakPolarHBondContact O-CB 3.36Å; C814-K818 PolarHBondContact O-N 2.99Å
815	Q	97.8	Very high	96.7	Very high	46 Å²	46	14.2 Å²	14.2	22%	0.215	7%	0.068	C	C	.	.	H	α-helix	trans	-70.1	-33.5	-179.3	-168.5	53.7	56.2	0	0	112.1	Y801 V810 P811 A812 K819	Y801-Q815 HydrophobicContact CD1-CG 4.03Å; Y801-Q815 HydrophobicContact CD2-CB 3.85Å; Y801-Q815 HydrophobicContact CD2-CG 3.64Å; Y801-Q815 HydrophobicContact CE1-CG 3.98Å; Y801-Q815 HydrophobicContact CE2-CB 4.16Å; Y801-Q815 HydrophobicContact CE2-CG 3.6Å; Y801-Q815 HydrophobicContact CG-CB 4.22Å; Y801-Q815 HydrophobicContact CG-CG 3.85Å; V810-Q815 HydrophobicContact CG2-CB 3.97Å; P811-Q815 PolarHBondContact O-N 3.09Å; A812-Q815 CarbonylContact O-C 3.48Å; A812-Q815 PolarHBondContact O-N 2.71Å; Q815-K819 WeakPolarHBondContact O-CB 3.49Å; Q815-K819 PolarHBondContact O-N 3.41Å; Q815-K819 VanDerWaalsContact O-N 3.1Å
816	Y	98.6	Very high	96.7	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-67.7	-48.8	169	-69.7	-52.7	0	0	0	111.6	I630 L800 Y801 Y802 A812 K818 K819 L820 F840 Y842 L843	I630-Y816 HydrophobicContact CG2-CD2 4.48Å; L800-Y816 WeakPolarHBondContact O-CE2 3.21Å; L800-Y816 PolarHBondContact O-OH 2.81Å; Y801-Y816 AromaticContact CD2-CD1 3.61Å; Y801-Y816 HydrophobicContact CD2-CD1 3.61Å; Y801-Y816 AromaticContact CD2-CE1 3.49Å; Y801-Y816 HydrophobicContact CD2-CE1 3.49Å; Y801-Y816 VanDerWaalsContact CD2-CE1 3.49Å; Y801-Y816 HydrophobicContact CD2-CE2 4.42Å; Y801-Y816 HydrophobicContact CD2-CG 4.13Å; Y801-Y816 AromaticContact CD2-CZ 3.93Å; Y801-Y816 AromaticContact CE2-CD1 3.66Å; Y801-Y816 HydrophobicContact CE2-CD1 3.66Å; Y801-Y816 AromaticContact CE2-CE1 3.79Å; Y801-Y816 HydrophobicContact CE2-CE1 3.79Å; Y801-Y816 HydrophobicContact CE2-CG 4.42Å; Y802-Y816 WeakPolarHBondContact CD2-OH 3.32Å; Y802-Y816 VanDerWaalsContact CG-OH 3.24Å; Y802-Y816 PolarHBondContact N-OH 3.42Å; A812-Y816 HydrophobicContact CB-CD2 4.19Å; A812-Y816 HydrophobicContact CB-CE2 3.85Å; A812-Y816 WeakPolarHBondContact O-CB 3.34Å; A812-Y816 WeakPolarHBondContact O-CD2 3.47Å; A812-Y816 PolarHBondContact O-N 3.49Å; Y816-K818 VanDerWaalsContact C-N 3.33Å; Y816-K818 PolarHBondContact O-N 2.86Å; Y816-K819 PolarHBondContact O-N 3.2Å; Y816-K819 VanDerWaalsContact O-N 3.1Å; Y816-L820 PolarHBondContact O-N 3.41Å; Y816-F840 AromaticContact CD1-CD1 3.95Å; Y816-F840 HydrophobicContact CD1-CD1 3.95Å; Y816-F840 AromaticContact CD1-CE1 3.89Å; Y816-F840 HydrophobicContact CD1-CE1 3.89Å; Y816-F840 HydrophobicContact CD2-CE1 4.07Å; Y816-F840 AromaticContact CE1-CD1 3.64Å; Y816-F840 HydrophobicContact CE1-CD1 3.64Å; Y816-F840 AromaticContact CE1-CE1 3.46Å; Y816-F840 HydrophobicContact CE1-CE1 3.46Å; Y816-F840 VanDerWaalsContact CE1-CE1 3.46Å; Y816-F840 HydrophobicContact CE1-CZ 4.39Å; Y816-F840 AromaticContact CE2-CE1 3.67Å; Y816-F840 HydrophobicContact CE2-CE1 3.67Å; Y816-F840 HydrophobicContact CE2-CZ 4.24Å; Y816-F840 HydrophobicContact CG-CE1 4.19Å; Y816-F840 AromaticContact CZ-CE1 3.34Å; Y816-F840 AromaticContact CZ-CZ 3.92Å; Y816-Y842 AromaticContact CD1-CE2 3.96Å; Y816-Y842 HydrophobicContact CD1-CE2 3.96Å; Y816-Y842 HydrophobicContact CG-CE2 4.37Å; Y816-L843 HydrophobicContact CD1-CD2 3.99Å; Y816-L843 HydrophobicContact CE1-CD1 4.28Å; Y816-L843 HydrophobicContact CE1-CD2 3.98Å
817	A	97.4	Very high	96.6	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-55.9	-49.2	177.6	0	0	0	0	0	110.8	D614 A628 I630 V813 C814 K819 L820 A821	D614-A817 HydrophobicContact CB-CB 4.13Å; A628-A817 WeakPolarHBondContact CB-O 3.29Å; A628-A817 WeakPolarHBondContact O-CB 3.49Å; I630-A817 HydrophobicContact CG1-CB 3.88Å; I630-A817 VanDerWaalsContact CG1-N 3.34Å; V813-A817 VanDerWaalsContact O-CB 3.25Å; V813-A817 WeakPolarHBondContact O-CB 3.43Å; V813-A817 PolarHBondContact O-N 3.36Å; C814-A817 PolarHBondContact O-N 3.04Å; A817-K819 PolarHBondContact O-N 3.26Å; A817-L820 PolarHBondContact O-N 2.71Å; A817-A821 WeakPolarHBondContact O-CB 3.2Å; A817-A821 PolarHBondContact O-N 3.18Å
818	K	96.2	Very high	96.6	Very high	69 Å²	69	17.5 Å²	17.5	30%	0.3	9%	0.087	S	C	.	.	H	α-helix	trans	-55.7	-46.5	174.1	-175.8	158.9	-167.7	147.7	0	113.1	D614 C814 Y816 T822	D614-K818 HydrophobicContact CB-CB 4.29Å; D614-K818 WeakPolarHBondContact OD2-CA 3.27Å; D614-K818 WeakPolarHBondContact OD2-CB 3.43Å; D614-K818 WeakPolarHBondContact OD2-CD 3.5Å; D614-K818 WeakPolarHBondContact OD2-CG 3.41Å; C814-K818 VanDerWaalsContact O-CB 3.23Å; C814-K818 WeakPolarHBondContact O-CB 3.36Å; C814-K818 PolarHBondContact O-N 2.99Å; Y816-K818 VanDerWaalsContact C-N 3.33Å; Y816-K818 PolarHBondContact O-N 2.86Å; K818-T822 WeakPolarHBondContact O-CB 3.38Å; K818-T822 PolarHBondContact O-N 3.31Å; K818-T822 PolarHBondContact O-OG1 2.67Å
819	K	97.8	Very high	96.5	Very high	50 Å²	50	19.3 Å²	19.3	22%	0.217	10%	0.095	C	C	.	.	H	α-helix	trans	-64	-41.6	-179.3	-175.6	61	163.5	70	0	111.4	Q815 Y816 A817 L823 Y842 L843	Q815-K819 WeakPolarHBondContact O-CB 3.49Å; Q815-K819 PolarHBondContact O-N 3.41Å; Q815-K819 VanDerWaalsContact O-N 3.1Å; Y816-K819 PolarHBondContact O-N 3.2Å; Y816-K819 VanDerWaalsContact O-N 3.1Å; A817-K819 PolarHBondContact O-N 3.26Å; K819-L823 WeakPolarHBondContact O-CB 2.93Å; K819-L823 PolarHBondContact O-N 3.12Å; K819-L823 VanDerWaalsContact O-N 3.1Å; K819-Y842 HydrophobicContact CB-CD2 4.32Å; K819-Y842 HydrophobicContact CG-CD2 4.21Å; K819-Y842 WeakPolarHBondContact CG-O 3.31Å; K819-Y842 PolarHBondContact NZ-O 3.02Å; K819-L843 VanDerWaalsContact CE-O 3.25Å; K819-L843 WeakPolarHBondContact CE-O 3.25Å; K819-L843 HydrophobicContact CG-CD2 4.31Å; K819-L843 PolarHBondContact NZ-O 2.73Å
820	L	98.1	Very high	96.5	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-68.7	-52.9	177.1	177.7	52.9	0	0	0	111.9	A628 I630 V645 Y816 A817 T822 L823 V824 Y841 Y842	A628-L820 HydrophobicContact CB-CB 4.03Å; A628-L820 HydrophobicContact CB-CD2 4.07Å; A628-L820 HydrophobicContact CB-CG 3.85Å; I630-L820 HydrophobicContact CD1-CD2 3.78Å; V645-L820 HydrophobicContact CG2-CD1 3.74Å; V645-L820 HydrophobicContact CG2-CD2 3.53Å; V645-L820 HydrophobicContact CG2-CG 3.47Å; V645-L820 VanDerWaalsContact CG2-CG 3.47Å; Y816-L820 PolarHBondContact O-N 3.41Å; A817-L820 PolarHBondContact O-N 2.71Å; L820-T822 VanDerWaalsContact C-N 3.3Å; L820-T822 PolarHBondContact O-N 3.2Å; L820-L823 WeakPolarHBondContact O-CB 3.45Å; L820-L823 PolarHBondContact O-N 3.12Å; L820-L823 VanDerWaalsContact O-N 3.15Å; L820-V824 HydrophobicContact CD1-CG2 4.17Å; L820-V824 WeakPolarHBondContact O-CG2 3.5Å; L820-V824 PolarHBondContact O-N 2.99Å; L820-Y841 HydrophobicContact CD1-CE2 4.05Å; L820-Y841 WeakPolarHBondContact CD1-OH 3.27Å; L820-Y842 HydrophobicContact CB-CD1 4.24Å; L820-Y842 HydrophobicContact CB-CD2 3.8Å; L820-Y842 HydrophobicContact CB-CE2 4.22Å; L820-Y842 HydrophobicContact CB-CG 3.81Å; L820-Y842 HydrophobicContact CD1-CD1 3.93Å; L820-Y842 HydrophobicContact CD1-CG 3.88Å; L820-Y842 HydrophobicContact CD2-CD1 4.1Å; L820-Y842 HydrophobicContact CD2-CE1 4.21Å; L820-Y842 HydrophobicContact CD2-CG 4.49Å; L820-Y842 HydrophobicContact CG-CD1 4.32Å; L820-Y842 HydrophobicContact CG-CG 4.26Å
821	A	95.3	Very high	96.5	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-55.6	-45.1	176.7	0	0	0	0	0	111.7	A616 A628 A817 L823 V824 G825	A616-A821 VanDerWaalsContact CB-C 3.46Å; A616-A821 HydrophobicContact CB-CB 3.78Å; A616-A821 WeakPolarHBondContact CB-O 3.32Å; A628-A821 HydrophobicContact CB-CB 3.77Å; A817-A821 WeakPolarHBondContact O-CB 3.2Å; A817-A821 PolarHBondContact O-N 3.18Å; A821-L823 PolarHBondContact O-N 3.49Å; A821-V824 PolarHBondContact O-N 3.33Å; A821-G825 PolarHBondContact O-N 2.82Å
822	T	95.3	Very high	96.4	Very high	60 Å²	60	22.9 Å²	22.9	37%	0.368	12%	0.12	S	C	.	.	H	α-helix	trans	-62.2	-43.3	178.1	-55.8	0	0	0	0	111.6	K818 L820 G825 T826	K818-T822 WeakPolarHBondContact O-CB 3.38Å; K818-T822 PolarHBondContact O-N 3.31Å; K818-T822 PolarHBondContact O-OG1 2.67Å; L820-T822 VanDerWaalsContact C-N 3.3Å; L820-T822 PolarHBondContact O-N 3.2Å; T822-G825 PolarHBondContact O-N 3.29Å; T822-T826 WeakPolarHBondContact O-CB 2.99Å; T822-T826 PolarHBondContact O-N 3.23Å; T822-T826 PolarHBondContact O-OG1 3.23Å
823	L	97.6	Very high	96.4	Very high	5 Å²	5	27 Å²	27	3%	0.026	14%	0.139	C	C	.	.	H	α-helix	trans	-61.3	-44.2	176.5	178.2	69	0	0	0	111.6	Y551 K555 Y559 K819 L820 A821 N827 L828	Y551-L823 HydrophobicContact CE1-CD1 4.24Å; K555-L823 HydrophobicContact CD-CD1 4.5Å; K555-L823 HydrophobicContact CG-CD1 4.45Å; Y559-L823 HydrophobicContact CD2-CD2 4.21Å; Y559-L823 HydrophobicContact CE2-CD2 4.02Å; K819-L823 WeakPolarHBondContact O-CB 2.93Å; K819-L823 PolarHBondContact O-N 3.12Å; K819-L823 VanDerWaalsContact O-N 3.1Å; L820-L823 WeakPolarHBondContact O-CB 3.45Å; L820-L823 PolarHBondContact O-N 3.12Å; L820-L823 VanDerWaalsContact O-N 3.15Å; A821-L823 PolarHBondContact O-N 3.49Å; L823-N827 HydrophobicContact CD1-CB 4.11Å; L823-N827 WeakPolarHBondContact O-CB 3.46Å; L823-N827 PolarHBondContact O-N 3Å; L823-L828 HydrophobicContact CD2-CD1 4.41Å; L823-L828 HydrophobicContact CG-CD1 4.25Å; L823-L828 HydrophobicContact CG-CG 4.26Å; L823-L828 PolarHBondContact O-N 3.31Å
824	V	97.2	Very high	96.3	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.162	C	C	.	.	I	π-helix	trans	-65.7	-49.4	178	-178	0	0	0	0	111.1	Y626 V645 L820 A821 T826 L828 H829 P832	Y626-V824 HydrophobicContact CD1-CG1 3.54Å; Y626-V824 HydrophobicContact CD2-CB 4.45Å; Y626-V824 HydrophobicContact CD2-CG1 3.82Å; Y626-V824 HydrophobicContact CE1-CG1 3.84Å; Y626-V824 HydrophobicContact CE2-CG1 4.1Å; Y626-V824 HydrophobicContact CG-CB 4.22Å; Y626-V824 HydrophobicContact CG-CG1 3.51Å; V645-V824 HydrophobicContact CG1-CB 4.42Å; V645-V824 HydrophobicContact CG1-CG1 4.34Å; V645-V824 HydrophobicContact CG1-CG2 4.07Å; V645-V824 HydrophobicContact CG2-CG2 4.13Å; L820-V824 HydrophobicContact CD1-CG2 4.17Å; L820-V824 WeakPolarHBondContact O-CG2 3.5Å; L820-V824 PolarHBondContact O-N 2.99Å; A821-V824 PolarHBondContact O-N 3.33Å; V824-T826 VanDerWaalsContact C-N 3.35Å; V824-T826 PolarHBondContact O-N 2.74Å; V824-L828 HydrophobicContact CG2-CD1 4.15Å; V824-L828 PolarHBondContact O-N 3.32Å; V824-H829 WeakPolarHBondContact O-CA 3.33Å; V824-H829 PolarHBondContact O-N 3.34Å; V824-P832 HydrophobicContact CG2-CG 4.14Å
825	G	93.1	Very high	96.3	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.193	C	C	.	.	I	π-helix	trans	-68.2	-27.5	-178.6	0	0	0	0	0	115	S618 T619 A821 T822 H829	S618-G825 WeakPolarHBondContact CA-O 3.46Å; T619-G825 PolarHBondContact N-O 3.47Å; T619-G825 PolarHBondContact OG1-O 3.44Å; A821-G825 PolarHBondContact O-N 2.82Å; T822-G825 PolarHBondContact O-N 3.29Å; G825-H829 PolarHBondContact O-CE1 3.16Å; G825-H829 PolarHBondContact O-ND1 2.84Å
826	T	92.1	Very high	96.3	Very high	54 Å²	54	32.8 Å²	32.8	33%	0.331	18%	0.183	S	C	.	.	I	π-helix	trans	-102.1	-28.6	-173.3	-48.3	0	0	0	0	113.8	T619 T822 V824	T619-T826 HydrophobicContact CG2-CG2 4.22Å; T822-T826 WeakPolarHBondContact O-CB 2.99Å; T822-T826 PolarHBondContact O-N 3.23Å; T822-T826 PolarHBondContact O-OG1 3.23Å; V824-T826 VanDerWaalsContact C-N 3.35Å; V824-T826 PolarHBondContact O-N 2.74Å
827	N	95	Very high	96.2	Very high	25 Å²	25	34.4 Å²	34.4	13%	0.134	19%	0.19	C	C	.	.	I	π-helix	trans	-131.4	-38	-168.1	-56.1	113.8	0	0	0	114.8	Y551 S552 L823	Y551-N827 HydrophobicContact CE1-CB 4.4Å; S552-N827 WeakPolarHBondContact CB-O 3.42Å; S552-N827 PolarHBondContact OG-ND2 2.96Å; L823-N827 HydrophobicContact CD1-CB 4.11Å; L823-N827 WeakPolarHBondContact O-CB 3.46Å; L823-N827 PolarHBondContact O-N 3Å
828	L	96.3	Very high	96.2	Very high	1 Å²	1	37 Å²	37	1%	0.005	20%	0.202	C	C	.	.	I	π-helix	trans	-89.3	-41.7	-176	-53.3	-177	0	0	0	112.7	K555 K556 Y559 V560 L823 V824 S830 P832	K555-L828 VanDerWaalsContact C-CD2 3.41Å; K555-L828 HydrophobicContact CB-CD2 3.72Å; K555-L828 WeakPolarHBondContact O-CD2 3.42Å; K556-L828 HydrophobicContact CB-CD2 4.37Å; Y559-L828 HydrophobicContact CD2-CD1 4.4Å; Y559-L828 HydrophobicContact CD2-CD2 4.49Å; V560-L828 HydrophobicContact CG2-CB 4.14Å; V560-L828 HydrophobicContact CG2-CD1 4.24Å; V560-L828 HydrophobicContact CG2-CD2 4.4Å; L823-L828 HydrophobicContact CD2-CD1 4.41Å; L823-L828 HydrophobicContact CG-CD1 4.25Å; L823-L828 HydrophobicContact CG-CG 4.26Å; L823-L828 PolarHBondContact O-N 3.31Å; V824-L828 HydrophobicContact CG2-CD1 4.15Å; V824-L828 PolarHBondContact O-N 3.32Å; L828-S830 PolarHBondContact O-N 3.43Å; L828-S830 VanDerWaalsContact O-N 3.13Å; L828-S830 PolarHBondContact O-OG 2.97Å; L828-P832 HydrophobicContact CD1-CG 3.85Å
829	H	94.4	Very high	96.2	Very high	45 Å²	45	36.9 Å²	36.9	21%	0.208	20%	0.201	C	C	.	.			trans	49	31.8	-172.5	-46.1	-61.7	0	0	0	113.6	T619 Y626 V824 G825	T619-H829 PolarHBondContact OG1-CE1 3.01Å; T619-H829 VanDerWaalsContact OG1-CE1 3.32Å; Y626-H829 PolarHBondContact OH-O 3.49Å; V824-H829 WeakPolarHBondContact O-CA 3.33Å; V824-H829 PolarHBondContact O-N 3.34Å; G825-H829 PolarHBondContact O-CE1 3.16Å; G825-H829 PolarHBondContact O-ND1 2.84Å
830	S	94.8	Very high	96.3	Very high	34 Å²	34	34.7 Å²	34.7	24%	0.238	19%	0.192	C	C	.	.	S	Bend	trans	-164.8	150.9	-175.2	-57.3	0	0	0	0	108.2	K556 L828	K556-S830 PolarHBondContact NZ-OG 2.77Å; K556-S830 VanDerWaalsContact NZ-OG 3.09Å; L828-S830 PolarHBondContact O-N 3.43Å; L828-S830 VanDerWaalsContact O-N 3.13Å; L828-S830 PolarHBondContact O-OG 2.97Å
831	I	96.1	Very high	96.3	Very high	83 Å²	83	35 Å²	35	43%	0.426	19%	0.193	S	C	.	.	P	Polyproline II helix	trans	-71.8	135.4	-179.2	-58.8	176.7	0	0	0	109.9
832	P	97.6	Very high	96.4	Very high	9 Å²	9	35.1 Å²	35.1	6%	0.058	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-67.9	156	174.7	-21.5	34.4	0	0	0	114.1	Y559 V824 L828 Y841	Y559-P832 CarbonylContact O-C 3.4Å; Y559-P832 VanDerWaalsContact O-CA 3.26Å; Y559-P832 WeakPolarHBondContact O-CA 3.2Å; V824-P832 HydrophobicContact CG2-CG 4.14Å; L828-P832 HydrophobicContact CD1-CG 3.85Å; P832-Y841 HydrophobicContact CB-CE2 3.82Å; P832-Y841 HydrophobicContact CG-CE2 3.9Å; P832-Y841 WeakPolarHBondContact CG-OH 3.44Å
833	Q	97.9	Very high	96.4	Very high	85 Å²	85	32.7 Å²	32.7	40%	0.397	18%	0.178	S	C	.	.	P	Polyproline II helix	trans	-61.6	133.8	176.8	-71.2	-67	-16.5	0	0	113	Y559 V560 R562 A563 A835 L836	Y559-Q833 PolarHBondContact O-N 2.94Å; V560-Q833 WeakPolarHBondContact O-CG 3.36Å; V560-Q833 PolarHBondContact O-NE2 3.42Å; R562-Q833 WeakPolarHBondContact O-CG 3.26Å; A563-Q833 HydrophobicContact CB-CB 3.9Å; A563-Q833 HydrophobicContact CB-CG 4.36Å; Q833-A835 PolarHBondContact O-N 3.4Å; Q833-A835 VanDerWaalsContact O-N 3.15Å; Q833-L836 WeakPolarHBondContact O-CB 2.88Å; Q833-L836 PolarHBondContact O-N 2.83Å; Q833-L836 VanDerWaalsContact O-N 3.07Å
834	N	96.2	Very high	96.4	Very high	91 Å²	91	34.1 Å²	34.1	49%	0.487	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-60.1	-27.4	-176.4	-63.1	72.2	0	0	0	114	L836 E837	N834-L836 PolarHBondContact O-N 3.41Å; N834-E837 HydrophobicContact CB-CG 4.42Å; N834-E837 PolarHBondContact ND2-OE1 3.18Å; N834-E837 VanDerWaalsContact O-CB 3.29Å; N834-E837 WeakPolarHBondContact O-CB 3.45Å; N834-E837 WeakPolarHBondContact O-CG 3.36Å; N834-E837 PolarHBondContact O-N 2.67Å
835	A	96.9	Very high	96.3	Very high	78 Å²	78	35.9 Å²	35.9	65%	0.645	20%	0.195	S	C	*	.	G	3₁₀ helix	trans	-62	-8	175.9	0	0	0	0	0	114.2	A563 Q833	A563-A835 HydrophobicContact CB-CB 3.98Å; Q833-A835 PolarHBondContact O-N 3.4Å; Q833-A835 VanDerWaalsContact O-N 3.15Å
836	L	97.4	Very high	96.5	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-96.9	-4.8	173.6	-64.9	176.2	0	0	0	114.2	Y559 A563 P565 Q833 N834 K838 K839 Y841	Y559-L836 HydrophobicContact CD1-CD1 3.92Å; Y559-L836 HydrophobicContact CG-CD1 4.21Å; A563-L836 HydrophobicContact CB-CG 4.34Å; A563-L836 WeakPolarHBondContact O-CD2 3.44Å; P565-L836 HydrophobicContact CG-CD2 4.12Å; Q833-L836 WeakPolarHBondContact O-CB 2.88Å; Q833-L836 PolarHBondContact O-N 2.83Å; Q833-L836 VanDerWaalsContact O-N 3.07Å; N834-L836 PolarHBondContact O-N 3.41Å; L836-K838 PolarHBondContact O-N 2.89Å; L836-K839 HydrophobicContact CD2-CD 4.27Å; L836-K839 PolarHBondContact O-N 3.44Å; 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 4.41Å; L836-Y841 HydrophobicContact CD1-CD2 4.02Å; L836-Y841 HydrophobicContact CD1-CE2 4.44Å; L836-Y841 HydrophobicContact CD1-CG 4Å; L836-Y841 HydrophobicContact CG-CD1 4.44Å; L836-Y841 HydrophobicContact CG-CG 4.43Å; L836-Y841 VanDerWaalsContact O-CD1 3.3Å; L836-Y841 WeakPolarHBondContact O-CD1 3.45Å; L836-Y841 WeakPolarHBondContact O-CE1 3.49Å
837	E	97.3	Very high	96.8	Very high	33 Å²	33	36.9 Å²	36.9	15%	0.154	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-33.6	-170.3	-77.8	172.2	165.9	0	0	114.3	F642 S643 K664 N834	F642-E837 CarbonylContact C-O 3.22Å; F642-E837 WeakPolarHBondContact CA-O 3.48Å; F642-E837 HydrophobicContact CD2-CB 3.9Å; F642-E837 HydrophobicContact CE2-CB 3.67Å; F642-E837 HydrophobicContact CE2-CG 3.99Å; F642-E837 VanDerWaalsContact CE2-OE2 3.29Å; F642-E837 WeakPolarHBondContact CE2-OE2 3.39Å; F642-E837 HydrophobicContact CZ-CB 4.46Å; F642-E837 HydrophobicContact CZ-CG 4.36Å; S643-E837 PolarHBondContact N-O 3.48Å; S643-E837 WeakPolarHBondContact O-CG 3.3Å; S643-E837 PolarHBondContact OG-O 3.14Å; K664-E837 VanDerWaalsContact CE-OE1 3.31Å; K664-E837 WeakPolarHBondContact CE-OE1 3.47Å; K664-E837 IonicContact NZ-OE1 3.96Å; K664-E837 PolarHBondContact NZ-OE1 3.35Å; N834-E837 HydrophobicContact CB-CG 4.42Å; N834-E837 PolarHBondContact ND2-OE1 3.18Å; N834-E837 VanDerWaalsContact O-CB 3.29Å; N834-E837 WeakPolarHBondContact O-CB 3.45Å; N834-E837 WeakPolarHBondContact O-CG 3.36Å; N834-E837 PolarHBondContact O-N 2.67Å
838	K	97.1	Very high	96.9	Very high	56 Å²	56	37.7 Å²	37.7	24%	0.243	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	2.7	179.6	-71.7	-65.1	-53.4	-164.6	0	115.4	T640 Y641 F642 Q668 E672 L836	T640-K838 PolarHBondContact OG1-NZ 2.67Å; Y641-K838 WeakPolarHBondContact O-CE 3.25Å; F642-K838 HydrophobicContact CD2-CD 4.49Å; Q668-K838 HydrophobicContact CG-CD 4.17Å; E672-K838 WeakPolarHBondContact OE1-CD 3.26Å; E672-K838 VanDerWaalsContact OE1-CE 3.26Å; E672-K838 WeakPolarHBondContact OE1-CE 3.35Å; E672-K838 IonicContact OE1-NZ 3.91Å; E672-K838 PolarHBondContact OE1-NZ 2.88Å; E672-K838 IonicContact OE2-NZ 2.72Å; E672-K838 PolarHBondContact OE2-NZ 3.25Å; L836-K838 PolarHBondContact O-N 2.89Å
839	K	97.6	Very high	96.9	Very high	66 Å²	66	40.1 Å²	40.1	29%	0.287	22%	0.216	S	C	.	.	S	Bend	trans	-115.5	151.6	-174.3	-67.4	174.3	179	170.1	0	111.5	P565 L836 Y841	P565-K839 HydrophobicContact CG-CD 4.08Å; L836-K839 HydrophobicContact CD2-CD 4.27Å; L836-K839 PolarHBondContact O-N 3.44Å; K839-Y841 WeakPolarHBondContact O-CD1 3.38Å; K839-Y841 PolarHBondContact O-N 3.07Å
840	F	98.1	Very high	97.1	Very high	4 Å²	4	39.8 Å²	39.8	2%	0.018	22%	0.217	C	C	.	.			trans	-83.7	44.2	172	-64.4	-79.8	0	0	0	112.6	C592 K593 Y641 Y802 Y816 Y842 L843	C592-F840 HydrophobicContact CB-CB 3.78Å; C592-F840 HydrophobicContact CB-CD2 3.86Å; C592-F840 HydrophobicContact CB-CG 4.12Å; C592-F840 WeakPolarHBondContact O-CB 3.26Å; C592-F840 WeakPolarHBondContact O-CD2 3.18Å; C592-F840 PolarHBondContact O-N 3.3Å; C592-F840 VanDerWaalsContact O-N 3.16Å; K593-F840 WeakPolarHBondContact CG-O 3.41Å; Y641-F840 HydrophobicContact CD2-CE1 4.14Å; Y641-F840 HydrophobicContact CD2-CE2 4.25Å; Y641-F840 AromaticContact CD2-CZ 3.39Å; Y641-F840 HydrophobicContact CD2-CZ 3.39Å; Y641-F840 AromaticContact CE2-CZ 3.94Å; Y641-F840 HydrophobicContact CE2-CZ 3.94Å; Y641-F840 HydrophobicContact CG-CE1 4.33Å; Y641-F840 AromaticContact CG-CZ 3.99Å; Y641-F840 HydrophobicContact CG-CZ 3.99Å; Y802-F840 HydrophobicContact CD2-CD2 4.42Å; Y802-F840 AromaticContact CD2-CE2 3.77Å; Y802-F840 HydrophobicContact CD2-CE2 3.77Å; Y802-F840 AromaticContact CD2-CZ 3.83Å; Y802-F840 HydrophobicContact CD2-CZ 3.83Å; Y802-F840 AromaticContact CE2-CE2 3.65Å; Y802-F840 HydrophobicContact CE2-CE2 3.65Å; Y802-F840 AromaticContact CE2-CZ 3.61Å; Y802-F840 HydrophobicContact CE2-CZ 3.61Å; Y816-F840 AromaticContact CD1-CD1 3.95Å; Y816-F840 HydrophobicContact CD1-CD1 3.95Å; Y816-F840 AromaticContact CD1-CE1 3.89Å; Y816-F840 HydrophobicContact CD1-CE1 3.89Å; Y816-F840 HydrophobicContact CD2-CE1 4.07Å; Y816-F840 AromaticContact CE1-CD1 3.64Å; Y816-F840 HydrophobicContact CE1-CD1 3.64Å; Y816-F840 AromaticContact CE1-CE1 3.46Å; Y816-F840 HydrophobicContact CE1-CE1 3.46Å; Y816-F840 VanDerWaalsContact CE1-CE1 3.46Å; Y816-F840 HydrophobicContact CE1-CZ 4.39Å; Y816-F840 AromaticContact CE2-CE1 3.67Å; Y816-F840 HydrophobicContact CE2-CE1 3.67Å; Y816-F840 HydrophobicContact CE2-CZ 4.24Å; Y816-F840 HydrophobicContact CG-CE1 4.19Å; Y816-F840 AromaticContact CZ-CE1 3.34Å; Y816-F840 AromaticContact CZ-CZ 3.92Å; F840-Y842 AromaticContact CD1-CZ 3.99Å; F840-Y842 WeakPolarHBondContact CD1-OH 3.31Å; F840-Y842 PolarHBondContact O-N 3.43Å; F840-Y842 VanDerWaalsContact O-N 3.1Å; F840-L843 HydrophobicContact CB-CD1 3.71Å; F840-L843 HydrophobicContact CB-CG 3.99Å; F840-L843 HydrophobicContact CD1-CD1 4.38Å; F840-L843 HydrophobicContact CG-CD1 4.21Å; F840-L843 PolarHBondContact O-N 3.11Å
841	Y	98.2	Very high	97.3	Very high	6 Å²	6	40.2 Å²	40.2	2%	0.024	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-31.9	-176.1	64.2	-85.5	0	0	0	113	Y559 L820 P832 L836 K839 L843	Y559-Y841 HydrophobicContact CD1-CD2 4.35Å; Y559-Y841 AromaticContact CD2-CD2 3.73Å; Y559-Y841 HydrophobicContact CD2-CD2 3.73Å; Y559-Y841 HydrophobicContact CD2-CE2 4.3Å; Y559-Y841 AromaticContact CE2-CD2 3.85Å; Y559-Y841 HydrophobicContact CE2-CD2 3.85Å; Y559-Y841 WeakPolarHBondContact CE2-O 3.35Å; Y559-Y841 AromaticContact CG-CD2 4Å; Y559-Y841 HydrophobicContact CG-CD2 4Å; Y559-Y841 VanDerWaalsContact CZ-O 3.23Å; Y559-Y841 PolarHBondContact OH-O 3.16Å; L820-Y841 HydrophobicContact CD1-CE2 4.05Å; L820-Y841 WeakPolarHBondContact CD1-OH 3.27Å; P832-Y841 HydrophobicContact CB-CE2 3.82Å; P832-Y841 HydrophobicContact CG-CE2 3.9Å; P832-Y841 WeakPolarHBondContact CG-OH 3.44Å; 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 4.41Å; L836-Y841 HydrophobicContact CD1-CD2 4.02Å; L836-Y841 HydrophobicContact CD1-CE2 4.44Å; L836-Y841 HydrophobicContact CD1-CG 4Å; L836-Y841 HydrophobicContact CG-CD1 4.44Å; L836-Y841 HydrophobicContact CG-CG 4.43Å; L836-Y841 VanDerWaalsContact O-CD1 3.3Å; L836-Y841 WeakPolarHBondContact O-CD1 3.45Å; L836-Y841 WeakPolarHBondContact O-CE1 3.49Å; K839-Y841 WeakPolarHBondContact O-CD1 3.38Å; K839-Y841 PolarHBondContact O-N 3.07Å; Y841-L843 VanDerWaalsContact C-N 3.34Å; Y841-L843 PolarHBondContact O-N 2.88Å
842	Y	97.8	Very high	97.4	Very high	3 Å²	3	36.7 Å²	36.7	1%	0.012	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-3	-174.5	52.6	-90.8	0	0	0	115.3	I630 Y816 K819 L820 F840	I630-Y842 HydrophobicContact CD1-CE1 4.39Å; Y816-Y842 AromaticContact CD1-CE2 3.96Å; Y816-Y842 HydrophobicContact CD1-CE2 3.96Å; Y816-Y842 HydrophobicContact CG-CE2 4.37Å; K819-Y842 HydrophobicContact CB-CD2 4.32Å; K819-Y842 HydrophobicContact CG-CD2 4.21Å; K819-Y842 WeakPolarHBondContact CG-O 3.31Å; K819-Y842 PolarHBondContact NZ-O 3.02Å; L820-Y842 HydrophobicContact CB-CD1 4.24Å; L820-Y842 HydrophobicContact CB-CD2 3.8Å; L820-Y842 HydrophobicContact CB-CE2 4.22Å; L820-Y842 HydrophobicContact CB-CG 3.81Å; L820-Y842 HydrophobicContact CD1-CD1 3.93Å; L820-Y842 HydrophobicContact CD1-CG 3.88Å; L820-Y842 HydrophobicContact CD2-CD1 4.1Å; L820-Y842 HydrophobicContact CD2-CE1 4.21Å; L820-Y842 HydrophobicContact CD2-CG 4.49Å; L820-Y842 HydrophobicContact CG-CD1 4.32Å; L820-Y842 HydrophobicContact CG-CG 4.26Å; F840-Y842 AromaticContact CD1-CZ 3.99Å; F840-Y842 WeakPolarHBondContact CD1-OH 3.31Å; F840-Y842 PolarHBondContact O-N 3.43Å; F840-Y842 VanDerWaalsContact O-N 3.1Å
843	L	96.7	Very high	97.4	Very high	9 Å²	9	39.2 Å²	39.2	5%	0.047	21%	0.21	C	C	.	.			trans	-68.9	0	174.9	-69.7	-176.6	0	0	0	112.8	Q589 C592 K593 Y801 N803 Y816 K819 F840 Y841	Q589-L843 HydrophobicContact CG-CB 4.24Å; Q589-L843 PolarHBondContact NE2-O 2.7Å; Q589-L843 PolarHBondContact NE2-OXT 3.33Å; C592-L843 HydrophobicContact CB-CD1 3.91Å; K593-L843 WeakPolarHBondContact CE-OXT 3.21Å; K593-L843 PolarHBondContact NZ-OXT 2.77Å; Y801-L843 HydrophobicContact CE2-CD2 3.97Å; N803-L843 HydrophobicContact CB-CD2 4.14Å; Y816-L843 HydrophobicContact CD1-CD2 3.99Å; Y816-L843 HydrophobicContact CE1-CD1 4.28Å; Y816-L843 HydrophobicContact CE1-CD2 3.98Å; K819-L843 VanDerWaalsContact CE-O 3.25Å; K819-L843 WeakPolarHBondContact CE-O 3.25Å; K819-L843 HydrophobicContact CG-CD2 4.31Å; K819-L843 PolarHBondContact NZ-O 2.73Å; F840-L843 HydrophobicContact CB-CD1 3.71Å; F840-L843 HydrophobicContact CB-CG 3.99Å; F840-L843 HydrophobicContact CD1-CD1 4.38Å; F840-L843 HydrophobicContact CG-CD1 4.21Å; F840-L843 PolarHBondContact O-N 3.11Å; Y841-L843 VanDerWaalsContact C-N 3.34Å; Y841-L843 PolarHBondContact O-N 2.88Å

Retrieved 843 of 843 residues in 358.6 ms (Link to these results)

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