A0A087XVW0_POEFO Loading...

2-oxoglutarate dehydrogenase complex component E1

AlphaFold DB , UniProt , Accession A0A087XVW0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,022 aa.

						>A0A087XVW0_POEFO|A0A087XVW0
MHRLRTCAARLRPLTASQAAQTVGQQRPITATGAAGSRTFQPIRSFSAPVASEPFLNGTSSNYVEEMYYAWLENPKSVHKSWDVFFRNANAGAPPGAAYQSPLGLAAPQLSSLVGAQPNAEKLVEDHLAVQTLIRAYQIRGHHVAQLDPLGIMDADLDSCVPTDIITSSDKLGFYGLDESDLEKVFRLPTTTFIGGSETALPLKEIIRRLEMAYCQHIGVEFMFINDLEQCQWIRQKFETPGVMQFTLEEKRTLLARMVRSTRFEEFLQKKWSAEKRFGLEGCESLIPALKTIIDKSPGTTGSYLTVSNVSRGRLNVLANVIRKELEQIFCQFDSKLEAADEGSGDVKYHLGMYHRRINRVTDRNITLSLVANPSHLEAVDPVVQGKTKAEQFYCGDTDGNRVMSILLHGDAAFAGQGIVYETFHLSDLPSYTTHGTVHVVVNNQIGFTTDPRMARSSPYPTDVARVVNAPIFHVNADDPEAVTYVCKVAAEWRATFHKDVVVDLVCYRRMGHNEMDEPMFTQPLMYKQIKKQKPVLQKYAEKLIAEGAVSRQEYEEEIAKYDKICEEAFARSKDEKILHIKHWLDSPWPGFFTLDGQPKSMSCPSTGISEENLNQIGLVASSVPVEDFTIHGGLSRILKGRGEMVRNRTVDWALAEYMALGSLLKEGIHVRLSGQDVERGTFSHRHHVLHDQNVDKRTCIPMNHLAPDQAPYTVCNSSLSEYGVLGFELGFAMASPNALILWEAQFGDFHNTAQCIIDQFICPGQAKWVRQNGIVLLLPHGMEGMGPEHSSARPERFLQMCNDDPDVMPNLSEDLAVRQLYDCNWIVVNCSSPGNYFHVLRRQILLPFRKPLIVFTPKSLLRHPDARSSFDGMLPGTHFQRLIPDDGPAAQRPDAVKRLIFCTGKVYYELTKERKKRGLEETVAISRMEQLSPFPFDQVKAEFERFPNADLVWCQEEHKNQGYYDYVKPRIRTTINKAKNVGYAGRDPAAAPATGNKNTHLVELRRFLDTAFDLEAFSFHF
					

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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	28.1	Very low	23.4	Very low	255 Å²	255	169.3 Å²	169.3	100%	1.256	86%	0.858	S	S	*	*				0	142.8	0	-100	-172	-101.8	0	0	109.3
2	H	21.8	Very low	23.4	Very low	176 Å²	176	174.3 Å²	174.3	82%	0.815	86%	0.859	S	S	*	*			trans	-81.6	158.6	-165	-105.6	-60.9	0	0	0	115.1
3	R	22.9	Very low	25	Very low	216 Å²	216	168.7 Å²	168.7	82%	0.815	84%	0.843	S	S	*	*			trans	87	115.1	150.6	-71.6	165.4	-174.8	-149.3	3.2	117.8
4	L	22.9	Very low	24.9	Very low	148 Å²	148	167.8 Å²	167.8	78%	0.775	84%	0.841	S	S	*	*				81.8	120.2	67.5	-94.9	161	0	0	0	114.7
5	R	23.2	Very low	25.1	Very low	238 Å²	238	164.5 Å²	164.5	90%	0.898	83%	0.834	S	S	*	*			trans	173.3	98.7	138.8	-96	170.3	-176.5	-167.5	1.6	109.3
6	T	22.6	Very low	25.2	Very low	121 Å²	121	159.4 Å²	159.4	74%	0.742	82%	0.824	S	S	*	*				49.6	123.4	87.6	43.1	0	0	0	0	119.2
7	C	22	Very low	25.3	Very low	125 Å²	125	156 Å²	156	85%	0.845	82%	0.818	S	S	*	*			trans	146.7	109.8	132	-84.3	0	0	0	0	109.6
8	A	22.9	Very low	25.4	Very low	99 Å²	99	157.2 Å²	157.2	82%	0.818	82%	0.818	S	S	*	*			cis	87.8	136.1	46.5	0	0	0	0	0	115.1
9	A	24.8	Very low	25.5	Very low	90 Å²	90	153.9 Å²	153.9	74%	0.744	82%	0.817	S	S	*	*			trans	103.6	134.8	166	0	0	0	0	0	115
10	R	23.3	Very low	25.5	Very low	227 Å²	227	150.4 Å²	150.4	86%	0.857	81%	0.81	S	S	*	*			cis	-176.8	142.2	22.2	-123.5	169.9	-158.9	-161.4	5.5	106.1
11	L	23.4	Very low	25.6	Very low	167 Å²	167	151.1 Å²	151.1	87%	0.874	81%	0.808	S	S	*	*				-176.6	155.8	68.5	-96.4	148.3	0	0	0	111.1
12	R	22.6	Very low	25.5	Very low	230 Å²	230	144.2 Å²	144.2	87%	0.868	78%	0.781	S	S	*	*			trans	-112.9	-165.6	-175.5	-102.9	-171.1	-179	-177.5	0.5	108.8
13	P	44.2	Very low	25.7	Very low	101 Å²	101	142.7 Å²	142.7	66%	0.656	78%	0.783	S	S	*	*				-140.5	-163.4	-55.1	42.4	-24	0	0	0	111.4
14	L	23.6	Very low	25.8	Very low	156 Å²	156	135.4 Å²	135.4	82%	0.817	78%	0.775	S	S	*	*			trans	-170	99.4	138.6	-94.7	160.7	0	0	0	107.8
15	T	28.8	Very low	26	Very low	119 Å²	119	136.6 Å²	136.6	73%	0.73	78%	0.777	S	S	*	*				73.2	138.6	96.9	56.3	0	0	0	0	114.5
16	A	26.3	Very low	26.1	Very low	82 Å²	82	132.8 Å²	132.8	68%	0.678	77%	0.769	S	S	*	*			cis	-157	133.6	22.9	0	0	0	0	0	108.4
17	S	26.2	Very low	26.3	Very low	102 Å²	102	138 Å²	138	71%	0.713	78%	0.775	S	S	*	*				58.3	130	78.2	81.8	0	0	0	0	113.5
18	Q	27	Very low	27.5	Very low	178 Å²	178	137.1 Å²	137.1	83%	0.832	77%	0.768	S	S	*	*				-156.6	128.5	52.1	-87.7	174.6	-13	0	0	109.4
19	A	27.7	Very low	27.7	Very low	95 Å²	95	140.4 Å²	140.4	79%	0.785	77%	0.77	S	S	*	*				82.8	140.2	83.1	0	0	0	0	0	110.3
20	A	26.9	Very low	27.7	Very low	82 Å²	82	142.2 Å²	142.2	68%	0.678	77%	0.772	S	S	*	*			cis	170.5	160.8	12	0	0	0	0	0	102.8
21	Q	26.8	Very low	27.9	Very low	167 Å²	167	135.4 Å²	135.4	78%	0.78	76%	0.764	S	S	*	*			cis	-178.8	131.8	15.4	-116	175	-8.6	0	0	104.9
22	T	25.8	Very low	28	Very low	110 Å²	110	134.4 Å²	134.4	68%	0.675	77%	0.765	S	S	*	*				95.3	118.2	109.6	51.7	0	0	0	0	116.3
23	V	25.7	Very low	28.1	Very low	144 Å²	144	127.1 Å²	127.1	87%	0.873	76%	0.761	S	S	*	*				78.7	134.2	100.9	179.7	0	0	0	0	111.6
24	G	25.3	Very low	27.2	Very low	62 Å²	62	127.3 Å²	127.3	64%	0.639	77%	0.771	S	S	*	*			cis	168.5	147.8	3.2	0	0	0	0	0	109.8
25	Q	26.5	Very low	27.4	Very low	174 Å²	174	125.1 Å²	125.1	81%	0.813	78%	0.776	S	S	*	*			trans	40.8	119.7	149.7	-73.3	-178.4	-26.2	0	0	124.1
26	Q	26.5	Very low	27.2	Very low	157 Å²	157	123.2 Å²	123.2	73%	0.734	78%	0.78	S	S	*	*				76	110.1	122.2	-68.1	-175.9	-9.8	0	0	123.1
27	R	25.3	Very low	27.3	Very low	232 Å²	232	124.4 Å²	124.4	88%	0.875	78%	0.783	S	S	*	*				61.7	165.5	129.7	-74.6	-173	174.1	179.9	-1.6	120.4
28	P	47.3	Very low	27.4	Very low	106 Å²	106	130.6 Å²	130.6	69%	0.688	79%	0.791	S	S	*	*				-130.5	179.6	-54.3	37.2	-19.2	0	0	0	111.4
29	I	26.8	Very low	27.5	Very low	167 Å²	167	127.8 Å²	127.8	86%	0.856	79%	0.786	S	S	*	*			trans	166	150.1	143	-83	155.5	0	0	0	111.1
30	T	25.8	Very low	27.5	Very low	128 Å²	128	133.3 Å²	133.3	79%	0.785	79%	0.793	S	S	*	*			trans	-79.9	151	-165.5	44	0	0	0	0	118.1
31	A	26.5	Very low	27.6	Very low	85 Å²	85	136.8 Å²	136.8	70%	0.702	80%	0.795	S	S	*	*			trans	95.6	130.8	133.5	0	0	0	0	0	123
32	T	26.1	Very low	28.2	Very low	146 Å²	146	134.2 Å²	134.2	90%	0.896	79%	0.793	S	S	*	*			trans	88.7	127.8	150.8	69.1	0	0	0	0	121.3
33	G	24.7	Very low	28.7	Very low	76 Å²	76	135 Å²	135	78%	0.784	79%	0.792	S	S	*	*			trans	113.2	90	137.2	0	0	0	0	0	119.9
34	A	25.9	Very low	29	Very low	105 Å²	105	139.7 Å²	139.7	87%	0.868	79%	0.794	S	S	*	*			trans	34.2	138.8	140.9	0	0	0	0	0	124
35	A	26.8	Very low	29.3	Very low	110 Å²	110	141.1 Å²	141.1	91%	0.909	79%	0.794	S	S	*	*			trans	89.4	124.3	149	0	0	0	0	0	119.7
36	G	26.4	Very low	29.6	Very low	80 Å²	80	143.1 Å²	143.1	83%	0.825	80%	0.8	S	S	*	*			trans	125.6	89	148.5	0	0	0	0	0	117.1
37	S	28.1	Very low	30.2	Very low	106 Å²	106	141 Å²	141	74%	0.741	80%	0.803	S	S	*	*			trans	-55.3	134.6	163.1	172.2	0	0	0	0	113.3
38	R	27.1	Very low	30.9	Very low	233 Å²	233	132.2 Å²	132.2	88%	0.879	78%	0.78	S	S	*	*			trans	-155.1	93.8	140.8	-68.2	-161.6	-178.5	173.6	0.3	109.4
39	T	29.2	Very low	30.8	Very low	119 Å²	119	131.7 Å²	131.7	73%	0.73	78%	0.777	S	S	*	*				47.2	102.8	100	51.9	0	0	0	0	115.7
40	F	27.5	Very low	32	Very low	210 Å²	210	129.7 Å²	129.7	92%	0.921	77%	0.772	S	S	*	*			trans	-131.5	107.8	150.9	-99.5	-82.3	0	0	0	109.6
41	Q	30.5	Very low	33.4	Very low	156 Å²	156	128 Å²	128	73%	0.729	77%	0.77	S	S	*	*			trans	-157.3	152.8	152.1	-91	-122	-3.4	0	0	105.9
42	P	37.7	Very low	34.8	Very low	112 Å²	112	126.3 Å²	126.3	73%	0.727	75%	0.754	S	S	*	*			cis	-135	150	29.9	35.7	-15.8	0	0	0	116.4
43	I	38.1	Very low	36.7	Very low	127 Å²	127	120 Å²	120	65%	0.651	71%	0.714	S	S	*	*			trans	-52	141	150.5	-68.7	160.2	0	0	0	108.5	S45	I43-S45 PolarHBondContact O-N 3.17Å
44	R	31.3	Very low	38.6	Very low	243 Å²	243	120.5 Å²	120.5	92%	0.917	70%	0.703	S	S	*	*			trans	-62.9	104.2	166.9	-82.5	-176.8	175.5	-179.1	-1.4	109
45	S	31.1	Very low	40.6	Very low	92 Å²	92	117.7 Å²	117.7	64%	0.643	67%	0.672	S	S	*	*			trans	-88	121.7	167.4	38.1	0	0	0	0	109.7	I43	I43-S45 PolarHBondContact O-N 3.17Å
46	F	32.5	Very low	42.5	Very low	216 Å²	216	116.5 Å²	116.5	95%	0.947	65%	0.649	S	S	*	*			trans	-96.7	91.1	143.8	-82.1	-79.9	0	0	0	106
47	S	40.1	Very low	44.6	Very low	112 Å²	112	115.9 Å²	115.9	78%	0.783	63%	0.627	S	S	*	*			trans	-84.8	104.7	167.6	56	0	0	0	0	108.3
48	A	40.2	Very low	46.3	Very low	48 Å²	48	114.1 Å²	114.1	40%	0.397	63%	0.626	S	S	.	*			trans	-109.1	144.7	154.7	0	0	0	0	0	107.9	V50 P95	A48-V50 PolarHBondContact O-N 2.64Å; A48-P95 HydrophobicContact CB-CB 4.2Å
49	P	44.9	Very low	48.3	Very low	95 Å²	95	109.4 Å²	109.4	62%	0.617	62%	0.623	S	S	*	*			trans	-68.3	121.3	179.7	-1.6	16.5	0	0	0	109.2	A51	P49-A51 HydrophobicContact CB-CB 4.41Å; P49-A51 PolarHBondContact O-N 3.04Å
50	V	51.3	Low	50.5	Low	125 Å²	125	105.7 Å²	105.7	76%	0.758	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.9	-7.8	171.5	-177.6	0	0	0	0	112	A48 S52	A48-V50 PolarHBondContact O-N 2.64Å; V50-S52 PolarHBondContact O-N 2.86Å
51	A	55.1	Low	52.8	Low	91 Å²	91	98.2 Å²	98.2	75%	0.752	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.7	-23.5	-173.8	0	0	0	0	0	115.2	P49	P49-A51 HydrophobicContact CB-CB 4.41Å; P49-A51 PolarHBondContact O-N 3.04Å
52	S	55.7	Low	55.2	Low	50 Å²	50	96.9 Å²	96.9	35%	0.35	57%	0.574	S	S	.	*	S	Bend	trans	-93.6	-14.5	-175.7	46.1	0	0	0	0	114.9	V50 G96	V50-S52 PolarHBondContact O-N 2.86Å; S52-G96 VanDerWaalsContact CB-O 3.29Å; S52-G96 WeakPolarHBondContact CB-O 3.3Å; S52-G96 WeakPolarHBondContact OG-CA 3.4Å; S52-G96 PolarHBondContact OG-O 3.37Å
53	E	67.1	Low	57.3	Low	14 Å²	14	97.5 Å²	97.5	7%	0.065	56%	0.562	C	S	.	*			trans	-135.7	59.8	179.1	-68.6	170.4	176.8	0	0	110.9	F55 L56 F85 G96 A98 Y99	E53-F55 HydrophobicContact CB-CE1 4.06Å; E53-F55 HydrophobicContact CB-CZ 4.16Å; E53-F55 HydrophobicContact CG-CE1 4.18Å; E53-F55 HydrophobicContact CG-CZ 4.15Å; E53-F55 PolarHBondContact O-N 3.25Å; E53-L56 HydrophobicContact CB-CD1 3.8Å; E53-L56 HydrophobicContact CB-CG 4.2Å; E53-L56 HydrophobicContact CG-CD1 4.39Å; E53-L56 PolarHBondContact O-N 3.12Å; E53-L56 VanDerWaalsContact OE2-CD1 3.27Å; E53-L56 WeakPolarHBondContact OE2-CD1 3.49Å; E53-F85 HydrophobicContact CG-CE2 4.34Å; E53-F85 WeakPolarHBondContact OE1-CE2 3.43Å; E53-G96 WeakPolarHBondContact OE1-CA 3.45Å; E53-G96 PolarHBondContact OE1-N 3.46Å; E53-G96 PolarHBondContact OE2-N 3.45Å; E53-A98 PolarHBondContact OE1-N 3.37Å; E53-A98 VanDerWaalsContact OE1-N 3.13Å; E53-Y99 PolarHBondContact OE1-N 3.22Å; E53-Y99 VanDerWaalsContact OE1-N 3.09Å
54	P	63.6	Low	59.6	Low	86 Å²	86	92.4 Å²	92.4	56%	0.558	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-14.6	-171.6	26.6	-35.6	0	0	0	114.2	L56 N57	P54-L56 VanDerWaalsContact C-N 3.35Å; P54-N57 PolarHBondContact O-ND2 2.97Å
55	F	68.1	Low	62.2	Low	47 Å²	47	85.9 Å²	85.9	21%	0.206	52%	0.517	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-12.5	176.1	61.7	-93.9	0	0	0	113.5	E53 N57 S60 W82 F85 Y99	E53-F55 HydrophobicContact CB-CE1 4.06Å; E53-F55 HydrophobicContact CB-CZ 4.16Å; E53-F55 HydrophobicContact CG-CE1 4.18Å; E53-F55 HydrophobicContact CG-CZ 4.15Å; E53-F55 PolarHBondContact O-N 3.25Å; F55-N57 PolarHBondContact O-N 2.93Å; F55-N57 VanDerWaalsContact O-N 3.14Å; F55-S60 VanDerWaalsContact O-CB 3.31Å; F55-S60 WeakPolarHBondContact O-CB 3.16Å; F55-W82 AromaticContact CD2-CH2 3.45Å; F55-W82 HydrophobicContact CD2-CH2 3.45Å; F55-W82 VanDerWaalsContact CD2-CH2 3.45Å; F55-W82 HydrophobicContact CD2-CZ2 4.39Å; F55-W82 HydrophobicContact CD2-CZ3 4.01Å; F55-W82 AromaticContact CE2-CH2 3.52Å; F55-W82 HydrophobicContact CE2-CH2 3.52Å; F55-W82 AromaticContact CE2-CZ3 3.59Å; F55-W82 HydrophobicContact CE2-CZ3 3.59Å; F55-W82 HydrophobicContact CG-CH2 4.33Å; F55-W82 HydrophobicContact CZ-CH2 4.47Å; F55-W82 HydrophobicContact CZ-CZ3 4.42Å; F55-F85 HydrophobicContact CE2-CD2 4.48Å; F55-F85 HydrophobicContact CE2-CE1 4.31Å; F55-F85 HydrophobicContact CE2-CE2 4.15Å; F55-F85 HydrophobicContact CE2-CZ 4.07Å; F55-F85 AromaticContact CZ-CD2 3.94Å; F55-F85 HydrophobicContact CZ-CD2 3.94Å; F55-F85 AromaticContact CZ-CE2 3.81Å; F55-F85 HydrophobicContact CZ-CE2 3.81Å; F55-F85 HydrophobicContact CZ-CG 4.44Å; F55-F85 HydrophobicContact CZ-CZ 4.22Å; F55-Y99 AromaticContact CE1-CD2 3.89Å; F55-Y99 HydrophobicContact CE1-CD2 3.89Å; F55-Y99 HydrophobicContact CE1-CE2 4.42Å; F55-Y99 HydrophobicContact CE1-CG 4.16Å; F55-Y99 HydrophobicContact CZ-CD2 4.09Å; F55-Y99 HydrophobicContact CZ-CG 4.47Å
56	L	67.8	Low	65	Low	84 Å²	84	87.5 Å²	87.5	44%	0.44	52%	0.515	S	S	.	.			trans	-87.8	56.5	174.6	-63.8	175.9	0	0	0	111.1	E53 P54 V64 F85	E53-L56 HydrophobicContact CB-CD1 3.8Å; E53-L56 HydrophobicContact CB-CG 4.2Å; E53-L56 HydrophobicContact CG-CD1 4.39Å; E53-L56 PolarHBondContact O-N 3.12Å; E53-L56 VanDerWaalsContact OE2-CD1 3.27Å; E53-L56 WeakPolarHBondContact OE2-CD1 3.49Å; P54-L56 VanDerWaalsContact C-N 3.35Å; L56-V64 HydrophobicContact CD2-CG1 4.1Å; L56-V64 HydrophobicContact CD2-CG2 4.41Å; L56-F85 HydrophobicContact CD1-CE2 4.24Å; L56-F85 HydrophobicContact CD1-CZ 3.83Å; L56-F85 HydrophobicContact CD2-CZ 4.16Å; L56-F85 HydrophobicContact CG-CZ 4.41Å
57	N	69.9	Low	67.8	Low	68 Å²	68	78.9 Å²	78.9	36%	0.364	48%	0.478	S	S	.	.	S	Bend	trans	-108.8	159.3	173.9	64.5	50.2	0	0	0	110.7	P54 F55 T59 S60	P54-N57 PolarHBondContact O-ND2 2.97Å; F55-N57 PolarHBondContact O-N 2.93Å; F55-N57 VanDerWaalsContact O-N 3.14Å; N57-T59 PolarHBondContact O-N 3.45Å; N57-T59 PolarHBondContact OD1-N 3.1Å; N57-T59 PolarHBondContact OD1-OG1 3.46Å; N57-S60 PolarHBondContact O-N 3.34Å; N57-S60 PolarHBondContact OD1-N 3.04Å; N57-S60 PolarHBondContact OD1-OG 2.86Å
58	G	64.6	Low	70.2	Confident	69 Å²	69	77 Å²	77	71%	0.711	45%	0.454	S	S	*	.	G	3₁₀ helix	trans	-57.7	-26.9	-173.1	0	0	0	0	0	114.6	S61	G58-S61 PolarHBondContact O-OG 3.47Å
59	T	67.5	Low	72.6	Confident	134 Å²	134	81.6 Å²	81.6	82%	0.822	46%	0.462	S	S	*	.	G	3₁₀ helix	trans	-76.9	-17	178.3	37.7	0	0	0	0	114.6	N57	N57-T59 PolarHBondContact O-N 3.45Å; N57-T59 PolarHBondContact OD1-N 3.1Å; N57-T59 PolarHBondContact OD1-OG1 3.46Å
60	S	75.3	Confident	74.7	Confident	41 Å²	41	78.5 Å²	78.5	29%	0.287	45%	0.445	S	S	.	.	G	3₁₀ helix	trans	-105.8	2.1	-179.8	-60.2	0	0	0	0	113.9	F55 N57 N62 Y63 V64	F55-S60 VanDerWaalsContact O-CB 3.31Å; F55-S60 WeakPolarHBondContact O-CB 3.16Å; N57-S60 PolarHBondContact O-N 3.34Å; N57-S60 PolarHBondContact OD1-N 3.04Å; N57-S60 PolarHBondContact OD1-OG 2.86Å; S60-N62 PolarHBondContact O-N 3.24Å; S60-Y63 PolarHBondContact O-N 2.95Å; S60-V64 WeakPolarHBondContact O-CG2 3.41Å; S60-V64 PolarHBondContact O-N 3.14Å; S60-V64 VanDerWaalsContact O-N 3.15Å
61	S	77	Confident	76.7	Confident	53 Å²	53	73.6 Å²	73.6	37%	0.371	41%	0.412	S	S	.	.	H	α-helix	trans	-53	-51.1	-174.6	50	0	0	0	0	114	G58 Y63 V64 E65	G58-S61 PolarHBondContact O-OG 3.47Å; S61-Y63 VanDerWaalsContact C-N 3.3Å; S61-Y63 PolarHBondContact O-N 3.25Å; S61-V64 PolarHBondContact O-N 2.92Å; S61-E65 PolarHBondContact O-N 3.3Å
62	N	80	Confident	78.5	Confident	127 Å²	127	73.7 Å²	73.7	68%	0.679	40%	0.4	S	S	*	.	H	α-helix	trans	-58.8	-39.4	-179.9	-73.8	-8.2	0	0	0	113.1	S60 E66	S60-N62 PolarHBondContact O-N 3.24Å; N62-E66 WeakPolarHBondContact O-CB 3.36Å; N62-E66 PolarHBondContact O-N 3.01Å
63	Y	82.1	Confident	80.1	Confident	125 Å²	125	79.7 Å²	79.7	49%	0.49	42%	0.422	S	S	.	.	H	α-helix	trans	-70.7	-39.8	180	179.4	-104.6	0	0	0	111.7	S60 S61 E66 M67 W82	S60-Y63 PolarHBondContact O-N 2.95Å; S61-Y63 VanDerWaalsContact C-N 3.3Å; S61-Y63 PolarHBondContact O-N 3.25Å; Y63-E66 PolarHBondContact O-N 3.17Å; Y63-M67 HydrophobicContact CD1-CG 4.39Å; Y63-M67 HydrophobicContact CE1-CG 4Å; Y63-M67 HydrophobicContact CE2-CE 4.22Å; Y63-M67 HydrophobicContact CE2-CG 4.28Å; Y63-M67 HydrophobicContact CE2-SD 4.39Å; Y63-M67 VanDerWaalsContact O-CG 3.31Å; Y63-M67 WeakPolarHBondContact O-CG 3.14Å; Y63-M67 PolarHBondContact O-N 3.07Å; Y63-W82 HydrophobicContact CE1-CZ2 4.12Å
64	V	85.6	Confident	81.1	Confident	21 Å²	21	83 Å²	83	13%	0.127	44%	0.44	C	S	.	.	H	α-helix	trans	-67.2	-39.2	177	-179.7	0	0	0	0	111	L56 S60 S61 M67 Y68 W82 F86	L56-V64 HydrophobicContact CD2-CG1 4.1Å; L56-V64 HydrophobicContact CD2-CG2 4.41Å; S60-V64 WeakPolarHBondContact O-CG2 3.41Å; S60-V64 PolarHBondContact O-N 3.14Å; S60-V64 VanDerWaalsContact O-N 3.15Å; S61-V64 PolarHBondContact O-N 2.92Å; V64-M67 PolarHBondContact O-N 2.97Å; V64-Y68 WeakPolarHBondContact O-CB 3.43Å; V64-Y68 PolarHBondContact O-N 3.18Å; V64-W82 HydrophobicContact CG1-CH2 4.38Å; V64-W82 HydrophobicContact CG1-CZ3 4.09Å; V64-W82 HydrophobicContact CG2-CH2 3.8Å; V64-W82 HydrophobicContact CG2-CZ3 4.33Å; V64-F86 HydrophobicContact CG1-CE1 4.24Å; V64-F86 HydrophobicContact CG1-CZ 4.33Å
65	E	87.2	Confident	82.2	Confident	106 Å²	106	81 Å²	81	50%	0.495	43%	0.428	S	S	.	.	H	α-helix	trans	-62.5	-45.6	173.6	-77.1	-173.5	-179.6	0	0	111.8	S61 M67 Y68 Y69	S61-E65 PolarHBondContact O-N 3.3Å; E65-M67 PolarHBondContact O-N 2.92Å; E65-Y68 PolarHBondContact O-N 3.2Å; E65-Y68 VanDerWaalsContact O-N 3.12Å; E65-Y69 HydrophobicContact CB-CD2 4.47Å; E65-Y69 HydrophobicContact CB-CE2 4.2Å; E65-Y69 WeakPolarHBondContact O-CD2 3.45Å; E65-Y69 PolarHBondContact O-N 3.47Å
66	E	88.9	Confident	83.1	Confident	126 Å²	126	87.8 Å²	87.8	59%	0.589	46%	0.457	S	S	*	.	H	α-helix	trans	-60.9	-43.3	177.3	-169.2	178	-176.9	0	0	112	N62 Y63 Y68 Y69 A70	N62-E66 WeakPolarHBondContact O-CB 3.36Å; N62-E66 PolarHBondContact O-N 3.01Å; Y63-E66 PolarHBondContact O-N 3.17Å; E66-Y68 VanDerWaalsContact C-N 3.32Å; E66-Y68 PolarHBondContact O-N 3.07Å; E66-Y69 PolarHBondContact O-N 3.1Å; E66-A70 WeakPolarHBondContact O-CB 3.33Å; E66-A70 PolarHBondContact O-N 3.26Å
67	M	92.2	Very high	84.1	Confident	34 Å²	34	87 Å²	87	17%	0.167	46%	0.458	C	S	.	.	H	α-helix	trans	-64.6	-35.7	173.9	-67.7	-60.1	95.9	0	0	112.2	Y63 V64 E65 W71 V78 W82 F86	Y63-M67 HydrophobicContact CD1-CG 4.39Å; Y63-M67 HydrophobicContact CE1-CG 4Å; Y63-M67 HydrophobicContact CE2-CE 4.22Å; Y63-M67 HydrophobicContact CE2-CG 4.28Å; Y63-M67 HydrophobicContact CE2-SD 4.39Å; Y63-M67 VanDerWaalsContact O-CG 3.31Å; Y63-M67 WeakPolarHBondContact O-CG 3.14Å; Y63-M67 PolarHBondContact O-N 3.07Å; V64-M67 PolarHBondContact O-N 2.97Å; E65-M67 PolarHBondContact O-N 2.92Å; M67-W71 WeakPolarHBondContact O-CB 3.37Å; M67-W71 PolarHBondContact O-N 2.55Å; M67-V78 HydrophobicContact CB-CG1 4.39Å; M67-V78 WeakPolarHBondContact O-CG1 3.37Å; M67-V78 HydrophobicContact SD-CG1 4.01Å; M67-W82 HydrophobicContact CB-CD2 4.48Å; M67-F86 HydrophobicContact CB-CE2 4.01Å; M67-F86 HydrophobicContact CB-CZ 4.09Å
68	Y	89.3	Confident	84.9	Confident	73 Å²	73	84.4 Å²	84.4	29%	0.286	45%	0.445	S	S	.	.	H	α-helix	trans	-69	-43.1	177.1	-174.8	-116.8	0	0	0	112	V64 E65 E66 W71 L72 F86	V64-Y68 WeakPolarHBondContact O-CB 3.43Å; V64-Y68 PolarHBondContact O-N 3.18Å; E65-Y68 PolarHBondContact O-N 3.2Å; E65-Y68 VanDerWaalsContact O-N 3.12Å; E66-Y68 VanDerWaalsContact C-N 3.32Å; E66-Y68 PolarHBondContact O-N 3.07Å; Y68-W71 AromaticContact CD2-CE3 3.98Å; Y68-W71 HydrophobicContact CD2-CE3 3.98Å; Y68-W71 HydrophobicContact CD2-CZ3 4.47Å; Y68-W71 AromaticContact CE2-CE3 3.8Å; Y68-W71 HydrophobicContact CE2-CE3 3.8Å; Y68-W71 AromaticContact CE2-CZ3 3.85Å; Y68-W71 HydrophobicContact CE2-CZ3 3.85Å; Y68-W71 PolarHBondContact O-N 3.42Å; Y68-L72 HydrophobicContact CD1-CD1 3.97Å; Y68-L72 HydrophobicContact CD1-CG 4.44Å; Y68-L72 HydrophobicContact CE1-CD1 3.59Å; Y68-L72 HydrophobicContact CE1-CG 4.13Å; Y68-L72 HydrophobicContact CE2-CD2 4.44Å; Y68-L72 HydrophobicContact CE2-CG 4.38Å; Y68-L72 WeakPolarHBondContact O-CG 3.35Å; Y68-L72 PolarHBondContact O-N 2.84Å; Y68-F86 HydrophobicContact CD2-CB 4.23Å; Y68-F86 AromaticContact CD2-CD1 3.44Å; Y68-F86 HydrophobicContact CD2-CD1 3.44Å; Y68-F86 VanDerWaalsContact CD2-CD1 3.44Å; Y68-F86 HydrophobicContact CD2-CD2 4.18Å; Y68-F86 AromaticContact CD2-CE1 3.71Å; Y68-F86 HydrophobicContact CD2-CE1 3.71Å; Y68-F86 HydrophobicContact CD2-CE2 4.41Å; Y68-F86 AromaticContact CD2-CG 3.71Å; Y68-F86 HydrophobicContact CD2-CG 3.71Å; Y68-F86 HydrophobicContact CD2-CZ 4.19Å; Y68-F86 HydrophobicContact CE2-CB 4.38Å; Y68-F86 HydrophobicContact CE2-CD1 4.11Å; Y68-F86 HydrophobicContact CE2-CG 4.32Å; Y68-F86 HydrophobicContact CG-CD1 4.34Å; Y68-F86 HydrophobicContact CG-CE1 4.17Å; Y68-F86 HydrophobicContact CG-CZ 4.45Å
69	Y	92.1	Very high	85.9	Confident	145 Å²	145	87.2 Å²	87.2	57%	0.569	44%	0.44	S	S	*	.	H	α-helix	trans	-63	-45.1	175.4	-71.5	-58.4	0	0	0	111.7	E65 E66 W71 L72 E73	E65-Y69 HydrophobicContact CB-CD2 4.47Å; E65-Y69 HydrophobicContact CB-CE2 4.2Å; E65-Y69 WeakPolarHBondContact O-CD2 3.45Å; E65-Y69 PolarHBondContact O-N 3.47Å; E66-Y69 PolarHBondContact O-N 3.1Å; Y69-W71 VanDerWaalsContact C-N 3.27Å; Y69-W71 PolarHBondContact O-N 3.38Å; Y69-L72 HydrophobicContact CD1-CD1 4.5Å; Y69-L72 PolarHBondContact O-N 3.31Å; Y69-E73 PolarHBondContact O-N 3.02Å
70	A	89.1	Confident	86.6	Confident	30 Å²	30	87.4 Å²	87.4	25%	0.248	43%	0.429	C	S	.	.	H	α-helix	trans	-61	-37	175.1	0	0	0	0	0	112.3	E66 N74 S77 V78	E66-A70 WeakPolarHBondContact O-CB 3.33Å; E66-A70 PolarHBondContact O-N 3.26Å; A70-N74 PolarHBondContact O-N 2.94Å; A70-N74 VanDerWaalsContact O-N 3.1Å; A70-S77 VanDerWaalsContact C-OG 3.26Å; A70-S77 PolarHBondContact O-OG 3.3Å; A70-V78 HydrophobicContact CB-CG1 3.93Å
71	W	93.4	Very high	86.9	Confident	21 Å²	21	86.3 Å²	86.3	8%	0.08	42%	0.421	C	S	.	.	H	α-helix	trans	-69.5	-38.7	176.4	178.5	81.8	0	0	0	113	M67 Y68 Y69 E73 N74 P75 V78 D83 F86 R87	M67-W71 WeakPolarHBondContact O-CB 3.37Å; M67-W71 PolarHBondContact O-N 2.55Å; Y68-W71 AromaticContact CD2-CE3 3.98Å; Y68-W71 HydrophobicContact CD2-CE3 3.98Å; Y68-W71 HydrophobicContact CD2-CZ3 4.47Å; Y68-W71 AromaticContact CE2-CE3 3.8Å; Y68-W71 HydrophobicContact CE2-CE3 3.8Å; Y68-W71 AromaticContact CE2-CZ3 3.85Å; Y68-W71 HydrophobicContact CE2-CZ3 3.85Å; Y68-W71 PolarHBondContact O-N 3.42Å; Y69-W71 VanDerWaalsContact C-N 3.27Å; Y69-W71 PolarHBondContact O-N 3.38Å; W71-E73 VanDerWaalsContact C-N 3.32Å; W71-E73 PolarHBondContact O-N 3.37Å; W71-N74 CarbonylContact O-C 3.5Å; W71-N74 VanDerWaalsContact O-C 3.23Å; W71-N74 PolarHBondContact O-N 3.25Å; W71-P75 WeakPolarHBondContact O-CD 3.23Å; W71-P75 VanDerWaalsContact O-N 3.16Å; W71-V78 HydrophobicContact CB-CG1 4.2Å; W71-V78 HydrophobicContact CB-CG2 3.87Å; W71-V78 HydrophobicContact CG-CG2 4.09Å; W71-D83 PolarHBondContact NE1-OD1 2.93Å; W71-F86 HydrophobicContact CB-CD2 3.75Å; W71-F86 HydrophobicContact CB-CE2 4.16Å; W71-F86 HydrophobicContact CD2-CB 3.6Å; W71-F86 AromaticContact CD2-CD2 3.98Å; W71-F86 HydrophobicContact CD2-CD2 3.98Å; W71-F86 HydrophobicContact CD2-CG 4.17Å; W71-F86 HydrophobicContact CE3-CB 3.69Å; W71-F86 HydrophobicContact CE3-CD2 4.39Å; W71-F86 HydrophobicContact CE3-CG 4.27Å; W71-F86 HydrophobicContact CG-CB 4.17Å; W71-F86 AromaticContact CG-CD2 3.66Å; W71-F86 HydrophobicContact CG-CD2 3.66Å; W71-F86 HydrophobicContact CG-CG 4.33Å; W71-F86 HydrophobicContact CH2-CB 4.13Å; W71-F86 HydrophobicContact CZ2-CB 4.06Å; W71-F86 HydrophobicContact CZ3-CB 3.94Å; W71-R87 HydrophobicContact CH2-CG 4.38Å; W71-R87 HydrophobicContact CZ2-CB 4.49Å; W71-R87 HydrophobicContact CZ2-CG 3.57Å
72	L	91.1	Very high	87.5	Confident	93 Å²	93	85.4 Å²	85.4	49%	0.487	41%	0.41	S	S	.	.	H	α-helix	trans	-62.9	-37.1	175.7	-76.9	175	0	0	0	112.3	Y68 Y69	Y68-L72 HydrophobicContact CD1-CD1 3.97Å; Y68-L72 HydrophobicContact CD1-CG 4.44Å; Y68-L72 HydrophobicContact CE1-CD1 3.59Å; Y68-L72 HydrophobicContact CE1-CG 4.13Å; Y68-L72 HydrophobicContact CE2-CD2 4.44Å; Y68-L72 HydrophobicContact CE2-CG 4.38Å; Y68-L72 WeakPolarHBondContact O-CG 3.35Å; Y68-L72 PolarHBondContact O-N 2.84Å; Y69-L72 HydrophobicContact CD1-CD1 4.5Å; Y69-L72 PolarHBondContact O-N 3.31Å
73	E	89.6	Confident	87.8	Confident	176 Å²	176	80.5 Å²	80.5	82%	0.822	38%	0.383	S	S	*	.	H	α-helix	trans	-72.3	-43.4	175.7	-69.6	-174.3	172	0	0	112.2	Y69 W71	Y69-E73 PolarHBondContact O-N 3.02Å; W71-E73 VanDerWaalsContact C-N 3.32Å; W71-E73 PolarHBondContact O-N 3.37Å
74	N	87.8	Confident	87.9	Confident	83 Å²	83	76.2 Å²	76.2	44%	0.444	37%	0.37	S	S	.	.			trans	-154.9	112.7	175.4	178.3	-0.1	0	0	0	111.1	A70 W71 K76 S77	A70-N74 PolarHBondContact O-N 2.94Å; A70-N74 VanDerWaalsContact O-N 3.1Å; W71-N74 CarbonylContact O-C 3.5Å; W71-N74 VanDerWaalsContact O-C 3.23Å; W71-N74 PolarHBondContact O-N 3.25Å; N74-K76 PolarHBondContact O-N 3.47Å; N74-K76 PolarHBondContact OD1-N 3.47Å; N74-S77 VanDerWaalsContact O-CB 3.28Å; N74-S77 WeakPolarHBondContact O-CB 3.37Å; N74-S77 PolarHBondContact O-N 2.89Å; N74-S77 PolarHBondContact O-OG 2.92Å
75	P	86.9	Confident	87.9	Confident	46 Å²	46	75.8 Å²	75.8	30%	0.299	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-19.2	-178.7	-31	37.7	0	0	0	116	W71	W71-P75 WeakPolarHBondContact O-CD 3.23Å; W71-P75 VanDerWaalsContact O-N 3.16Å
76	K	87.9	Confident	88	Confident	188 Å²	188	71.2 Å²	71.2	82%	0.817	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-6.6	176.9	-62.7	-176.2	-179.8	178.9	0	114	N74 V78	N74-K76 PolarHBondContact O-N 3.47Å; N74-K76 PolarHBondContact OD1-N 3.47Å; K76-V78 VanDerWaalsContact C-N 3.3Å
77	S	88.5	Confident	87.9	Confident	67 Å²	67	71.5 Å²	71.5	47%	0.469	34%	0.341	S	S	.	.	S	Bend	trans	-74.7	-22.9	-179.8	70.7	0	0	0	0	112.5	A70 N74	A70-S77 VanDerWaalsContact C-OG 3.26Å; A70-S77 PolarHBondContact O-OG 3.3Å; N74-S77 VanDerWaalsContact O-CB 3.28Å; N74-S77 WeakPolarHBondContact O-CB 3.37Å; N74-S77 PolarHBondContact O-N 2.89Å; N74-S77 PolarHBondContact O-OG 2.92Å
78	V	87.8	Confident	87.5	Confident	14 Å²	14	72 Å²	72	9%	0.085	34%	0.344	C	S	.	.	S	Bend	trans	-105.2	160.6	178.2	-60.7	0	0	0	0	111.3	M67 A70 W71 K76 W82	M67-V78 HydrophobicContact CB-CG1 4.39Å; M67-V78 WeakPolarHBondContact O-CG1 3.37Å; M67-V78 HydrophobicContact SD-CG1 4.01Å; A70-V78 HydrophobicContact CB-CG1 3.93Å; W71-V78 HydrophobicContact CB-CG1 4.2Å; W71-V78 HydrophobicContact CB-CG2 3.87Å; W71-V78 HydrophobicContact CG-CG2 4.09Å; K76-V78 VanDerWaalsContact C-N 3.3Å; V78-W82 HydrophobicContact CB-CB 4.03Å; V78-W82 HydrophobicContact CG2-CB 3.85Å
79	H	85.4	Confident	87.2	Confident	129 Å²	129	70.5 Å²	70.5	60%	0.597	35%	0.347	S	S	*	.			trans	-59.4	147.2	177	-171.8	-100.5	0	0	0	111.5	S81 W82 D83	H79-S81 PolarHBondContact ND1-N 2.58Å; H79-S81 PolarHBondContact ND1-OG 3.43Å; H79-S81 PolarHBondContact O-N 3.37Å; H79-W82 WeakPolarHBondContact O-CA 3.46Å; H79-W82 WeakPolarHBondContact O-CB 3.37Å; H79-W82 PolarHBondContact O-N 3.41Å; H79-D83 PolarHBondContact O-N 2.97Å; H79-D83 VanDerWaalsContact O-N 3.14Å
80	K	82	Confident	86.7	Confident	138 Å²	138	68.8 Å²	68.8	60%	0.6	35%	0.348	S	S	*	.	H	α-helix	trans	-56.1	-29.6	-173.8	-167.7	173.9	-177.4	-177.4	0	113.9	W82 D83 V84	K80-W82 VanDerWaalsContact C-N 3.35Å; K80-D83 PolarHBondContact O-N 3.37Å; K80-V84 VanDerWaalsContact O-CG2 3.28Å; K80-V84 WeakPolarHBondContact O-CG2 3.3Å; K80-V84 PolarHBondContact O-N 3.31Å
81	S	82.1	Confident	86.3	Confident	18 Å²	18	71.4 Å²	71.4	13%	0.126	37%	0.37	C	S	.	.	H	α-helix	trans	-65.6	-36	174.1	56.9	0	0	0	0	112.9	H79 F85	H79-S81 PolarHBondContact ND1-N 2.58Å; H79-S81 PolarHBondContact ND1-OG 3.43Å; H79-S81 PolarHBondContact O-N 3.37Å; S81-F85 WeakPolarHBondContact O-CB 3.18Å; S81-F85 PolarHBondContact O-N 3.22Å
82	W	87.8	Confident	85.5	Confident	33 Å²	33	73.4 Å²	73.4	13%	0.125	40%	0.396	C	S	.	.	H	α-helix	trans	-73.4	-39.5	174.2	-72.9	118	0	0	0	111.5	F55 Y63 V64 M67 V78 H79 K80 V84 F85 F86	F55-W82 AromaticContact CD2-CH2 3.45Å; F55-W82 HydrophobicContact CD2-CH2 3.45Å; F55-W82 VanDerWaalsContact CD2-CH2 3.45Å; F55-W82 HydrophobicContact CD2-CZ2 4.39Å; F55-W82 HydrophobicContact CD2-CZ3 4.01Å; F55-W82 AromaticContact CE2-CH2 3.52Å; F55-W82 HydrophobicContact CE2-CH2 3.52Å; F55-W82 AromaticContact CE2-CZ3 3.59Å; F55-W82 HydrophobicContact CE2-CZ3 3.59Å; F55-W82 HydrophobicContact CG-CH2 4.33Å; F55-W82 HydrophobicContact CZ-CH2 4.47Å; F55-W82 HydrophobicContact CZ-CZ3 4.42Å; Y63-W82 HydrophobicContact CE1-CZ2 4.12Å; V64-W82 HydrophobicContact CG1-CH2 4.38Å; V64-W82 HydrophobicContact CG1-CZ3 4.09Å; V64-W82 HydrophobicContact CG2-CH2 3.8Å; V64-W82 HydrophobicContact CG2-CZ3 4.33Å; M67-W82 HydrophobicContact CB-CD2 4.48Å; V78-W82 HydrophobicContact CB-CB 4.03Å; V78-W82 HydrophobicContact CG2-CB 3.85Å; H79-W82 WeakPolarHBondContact O-CA 3.46Å; H79-W82 WeakPolarHBondContact O-CB 3.37Å; H79-W82 PolarHBondContact O-N 3.41Å; K80-W82 VanDerWaalsContact C-N 3.35Å; W82-V84 PolarHBondContact O-N 3.49Å; W82-F85 AromaticContact CE3-CD1 3.86Å; W82-F85 HydrophobicContact CE3-CD1 3.86Å; W82-F85 HydrophobicContact CE3-CG 4.46Å; W82-F85 AromaticContact CZ3-CD1 3.88Å; W82-F85 HydrophobicContact CZ3-CD1 3.88Å; W82-F85 HydrophobicContact CZ3-CE1 4.14Å; W82-F85 PolarHBondContact O-N 3.39Å; W82-F86 HydrophobicContact CB-CD2 4.2Å; W82-F86 HydrophobicContact CB-CE2 3.94Å; W82-F86 HydrophobicContact CD2-CE2 4.3Å; W82-F86 HydrophobicContact CD2-CZ 4.39Å; W82-F86 HydrophobicContact CE3-CE1 4.14Å; W82-F86 AromaticContact CE3-CE2 3.77Å; W82-F86 HydrophobicContact CE3-CE2 3.77Å; W82-F86 AromaticContact CE3-CZ 3.53Å; W82-F86 HydrophobicContact CE3-CZ 3.53Å; W82-F86 HydrophobicContact CG-CE2 4.42Å; W82-F86 HydrophobicContact CZ3-CE1 4.36Å; W82-F86 AromaticContact CZ3-CZ 3.98Å; W82-F86 HydrophobicContact CZ3-CZ 3.98Å; W82-F86 WeakPolarHBondContact O-CB 3.31Å; W82-F86 WeakPolarHBondContact O-CD2 3.41Å; W82-F86 WeakPolarHBondContact O-CG 3.2Å; W82-F86 PolarHBondContact O-N 3.05Å
83	D	87.2	Confident	84.8	Confident	24 Å²	24	70.5 Å²	70.5	13%	0.128	39%	0.386	C	S	.	.	H	α-helix	trans	-59	-46.8	173.9	-179.7	35.3	0	0	0	111.7	W71 H79 K80 R87	W71-D83 PolarHBondContact NE1-OD1 2.93Å; H79-D83 PolarHBondContact O-N 2.97Å; H79-D83 VanDerWaalsContact O-N 3.14Å; K80-D83 PolarHBondContact O-N 3.37Å; D83-R87 WeakPolarHBondContact O-CB 3.4Å; D83-R87 VanDerWaalsContact O-CG 3.26Å; D83-R87 WeakPolarHBondContact O-CG 3.44Å; D83-R87 PolarHBondContact O-N 3.24Å; D83-R87 IonicContact OD1-CZ 2.56Å; D83-R87 IonicContact OD1-NE 3.46Å; D83-R87 PolarHBondContact OD1-NE 2.73Å; D83-R87 IonicContact OD1-NH2 3.32Å; D83-R87 PolarHBondContact OD1-NH2 3.21Å; D83-R87 VanDerWaalsContact OD1-NH2 3.12Å; D83-R87 IonicContact OD2-CZ 2.88Å; D83-R87 IonicContact OD2-NE 3.15Å; D83-R87 PolarHBondContact OD2-NE 3.37Å; D83-R87 IonicContact OD2-NH2 3.5Å; D83-R87 PolarHBondContact OD2-NH2 3.47Å
84	V	83.3	Confident	83.9	Confident	35 Å²	35	66.3 Å²	66.3	21%	0.212	37%	0.374	C	S	.	.	H	α-helix	trans	-64.8	-45.3	176.9	172.5	0	0	0	0	111.3	K80 W82 N88 Q100	K80-V84 VanDerWaalsContact O-CG2 3.28Å; K80-V84 WeakPolarHBondContact O-CG2 3.3Å; K80-V84 PolarHBondContact O-N 3.31Å; W82-V84 PolarHBondContact O-N 3.49Å; V84-N88 WeakPolarHBondContact O-CB 3.44Å; V84-N88 PolarHBondContact O-N 3.2Å; V84-N88 PolarHBondContact O-ND2 3.26Å; V84-Q100 HydrophobicContact CG1-CB 3.93Å
85	F	86.4	Confident	82.8	Confident	13 Å²	13	67 Å²	67	6%	0.057	38%	0.383	C	S	.	.	H	α-helix	trans	-58.6	-52.2	177.8	174.1	-99.9	0	0	0	112.1	E53 F55 L56 S81 W82 R87 N88 A89 A98	E53-F85 HydrophobicContact CG-CE2 4.34Å; E53-F85 WeakPolarHBondContact OE1-CE2 3.43Å; F55-F85 HydrophobicContact CE2-CD2 4.48Å; F55-F85 HydrophobicContact CE2-CE1 4.31Å; F55-F85 HydrophobicContact CE2-CE2 4.15Å; F55-F85 HydrophobicContact CE2-CZ 4.07Å; F55-F85 AromaticContact CZ-CD2 3.94Å; F55-F85 HydrophobicContact CZ-CD2 3.94Å; F55-F85 AromaticContact CZ-CE2 3.81Å; F55-F85 HydrophobicContact CZ-CE2 3.81Å; F55-F85 HydrophobicContact CZ-CG 4.44Å; F55-F85 HydrophobicContact CZ-CZ 4.22Å; L56-F85 HydrophobicContact CD1-CE2 4.24Å; L56-F85 HydrophobicContact CD1-CZ 3.83Å; L56-F85 HydrophobicContact CD2-CZ 4.16Å; L56-F85 HydrophobicContact CG-CZ 4.41Å; S81-F85 WeakPolarHBondContact O-CB 3.18Å; S81-F85 PolarHBondContact O-N 3.22Å; W82-F85 AromaticContact CE3-CD1 3.86Å; W82-F85 HydrophobicContact CE3-CD1 3.86Å; W82-F85 HydrophobicContact CE3-CG 4.46Å; W82-F85 AromaticContact CZ3-CD1 3.88Å; W82-F85 HydrophobicContact CZ3-CD1 3.88Å; W82-F85 HydrophobicContact CZ3-CE1 4.14Å; W82-F85 PolarHBondContact O-N 3.39Å; F85-R87 PolarHBondContact O-N 2.86Å; F85-N88 PolarHBondContact O-N 3.27Å; F85-A89 WeakPolarHBondContact O-CB 3.31Å; F85-A89 PolarHBondContact O-N 2.75Å; F85-A98 WeakPolarHBondContact CA-O 3.45Å; F85-A98 HydrophobicContact CD2-CB 3.75Å; F85-A98 HydrophobicContact CE2-CB 3.69Å
86	F	89.9	Confident	81.9	Confident	9 Å²	9	65.8 Å²	65.8	4%	0.039	38%	0.379	C	S	.	.	H	α-helix	trans	-68.7	-35.8	-177.6	-65.4	-47.5	0	0	0	112.8	V64 M67 Y68 W71 W82 A89 N90	V64-F86 HydrophobicContact CG1-CE1 4.24Å; V64-F86 HydrophobicContact CG1-CZ 4.33Å; M67-F86 HydrophobicContact CB-CE2 4.01Å; M67-F86 HydrophobicContact CB-CZ 4.09Å; Y68-F86 HydrophobicContact CD2-CB 4.23Å; Y68-F86 AromaticContact CD2-CD1 3.44Å; Y68-F86 HydrophobicContact CD2-CD1 3.44Å; Y68-F86 VanDerWaalsContact CD2-CD1 3.44Å; Y68-F86 HydrophobicContact CD2-CD2 4.18Å; Y68-F86 AromaticContact CD2-CE1 3.71Å; Y68-F86 HydrophobicContact CD2-CE1 3.71Å; Y68-F86 HydrophobicContact CD2-CE2 4.41Å; Y68-F86 AromaticContact CD2-CG 3.71Å; Y68-F86 HydrophobicContact CD2-CG 3.71Å; Y68-F86 HydrophobicContact CD2-CZ 4.19Å; Y68-F86 HydrophobicContact CE2-CB 4.38Å; Y68-F86 HydrophobicContact CE2-CD1 4.11Å; Y68-F86 HydrophobicContact CE2-CG 4.32Å; Y68-F86 HydrophobicContact CG-CD1 4.34Å; Y68-F86 HydrophobicContact CG-CE1 4.17Å; Y68-F86 HydrophobicContact CG-CZ 4.45Å; W71-F86 HydrophobicContact CB-CD2 3.75Å; W71-F86 HydrophobicContact CB-CE2 4.16Å; W71-F86 HydrophobicContact CD2-CB 3.6Å; W71-F86 AromaticContact CD2-CD2 3.98Å; W71-F86 HydrophobicContact CD2-CD2 3.98Å; W71-F86 HydrophobicContact CD2-CG 4.17Å; W71-F86 HydrophobicContact CE3-CB 3.69Å; W71-F86 HydrophobicContact CE3-CD2 4.39Å; W71-F86 HydrophobicContact CE3-CG 4.27Å; W71-F86 HydrophobicContact CG-CB 4.17Å; W71-F86 AromaticContact CG-CD2 3.66Å; W71-F86 HydrophobicContact CG-CD2 3.66Å; W71-F86 HydrophobicContact CG-CG 4.33Å; W71-F86 HydrophobicContact CH2-CB 4.13Å; W71-F86 HydrophobicContact CZ2-CB 4.06Å; W71-F86 HydrophobicContact CZ3-CB 3.94Å; W82-F86 HydrophobicContact CB-CD2 4.2Å; W82-F86 HydrophobicContact CB-CE2 3.94Å; W82-F86 HydrophobicContact CD2-CE2 4.3Å; W82-F86 HydrophobicContact CD2-CZ 4.39Å; W82-F86 HydrophobicContact CE3-CE1 4.14Å; W82-F86 AromaticContact CE3-CE2 3.77Å; W82-F86 HydrophobicContact CE3-CE2 3.77Å; W82-F86 AromaticContact CE3-CZ 3.53Å; W82-F86 HydrophobicContact CE3-CZ 3.53Å; W82-F86 HydrophobicContact CG-CE2 4.42Å; W82-F86 HydrophobicContact CZ3-CE1 4.36Å; W82-F86 AromaticContact CZ3-CZ 3.98Å; W82-F86 HydrophobicContact CZ3-CZ 3.98Å; W82-F86 WeakPolarHBondContact O-CB 3.31Å; W82-F86 WeakPolarHBondContact O-CD2 3.41Å; W82-F86 WeakPolarHBondContact O-CG 3.2Å; W82-F86 PolarHBondContact O-N 3.05Å; F86-A89 PolarHBondContact O-N 2.93Å; F86-N90 WeakPolarHBondContact O-CB 3.44Å; F86-N90 PolarHBondContact O-N 3.21Å
87	R	87	Confident	81.1	Confident	133 Å²	133	59.1 Å²	59.1	50%	0.502	36%	0.359	S	S	.	.	H	α-helix	trans	-61.7	-45.8	172.6	-75.9	-176.3	-161.5	-149.5	8	112.5	W71 D83 F85 N90 A91	W71-R87 HydrophobicContact CH2-CG 4.38Å; W71-R87 HydrophobicContact CZ2-CB 4.49Å; W71-R87 HydrophobicContact CZ2-CG 3.57Å; D83-R87 WeakPolarHBondContact O-CB 3.4Å; D83-R87 VanDerWaalsContact O-CG 3.26Å; D83-R87 WeakPolarHBondContact O-CG 3.44Å; D83-R87 PolarHBondContact O-N 3.24Å; D83-R87 IonicContact OD1-CZ 2.56Å; D83-R87 IonicContact OD1-NE 3.46Å; D83-R87 PolarHBondContact OD1-NE 2.73Å; D83-R87 IonicContact OD1-NH2 3.32Å; D83-R87 PolarHBondContact OD1-NH2 3.21Å; D83-R87 VanDerWaalsContact OD1-NH2 3.12Å; D83-R87 IonicContact OD2-CZ 2.88Å; D83-R87 IonicContact OD2-NE 3.15Å; D83-R87 PolarHBondContact OD2-NE 3.37Å; D83-R87 IonicContact OD2-NH2 3.5Å; D83-R87 PolarHBondContact OD2-NH2 3.47Å; F85-R87 PolarHBondContact O-N 2.86Å; R87-N90 PolarHBondContact O-N 3.45Å; R87-A91 VanDerWaalsContact O-CB 3.27Å; R87-A91 WeakPolarHBondContact O-CB 3.25Å; R87-A91 PolarHBondContact O-N 2.94Å
88	N	82.8	Confident	80.4	Confident	43 Å²	43	56.1 Å²	56.1	23%	0.23	34%	0.338	C	S	.	.	H	α-helix	trans	-68.1	-41.1	-179.1	-69.3	-18.7	0	0	0	110.9	V84 F85 A91 G92 A93 A98	V84-N88 WeakPolarHBondContact O-CB 3.44Å; V84-N88 PolarHBondContact O-N 3.2Å; V84-N88 PolarHBondContact O-ND2 3.26Å; F85-N88 PolarHBondContact O-N 3.27Å; N88-A91 PolarHBondContact O-N 3.21Å; N88-G92 PolarHBondContact O-N 2.97Å; N88-A93 HydrophobicContact CB-CB 4.23Å; N88-A93 WeakPolarHBondContact O-CB 3.39Å; N88-A93 PolarHBondContact O-N 3.02Å; N88-A98 HydrophobicContact CB-CB 4.19Å; N88-A98 WeakPolarHBondContact CB-O 3.37Å; N88-A98 PolarHBondContact ND2-O 2.93Å
89	A	83.4	Confident	79.8	Confident	43 Å²	43	59.9 Å²	59.9	36%	0.355	35%	0.351	S	S	.	.	H	α-helix	trans	-60.7	-46.6	173.5	0	0	0	0	0	111.8	F85 F86 A91 G92 A98	F85-A89 WeakPolarHBondContact O-CB 3.31Å; F85-A89 PolarHBondContact O-N 2.75Å; F86-A89 PolarHBondContact O-N 2.93Å; A89-A91 VanDerWaalsContact C-N 3.27Å; A89-A91 PolarHBondContact O-N 3.41Å; A89-G92 PolarHBondContact O-N 3.02Å; A89-A98 HydrophobicContact CB-CB 4.04Å
90	N	82.5	Confident	78.9	Confident	108 Å²	108	59.5 Å²	59.5	58%	0.578	35%	0.35	S	S	*	.	H	α-helix	trans	-67.1	-26.8	177.4	-120.5	18.5	0	0	0	113.1	F86 R87 G92	F86-N90 WeakPolarHBondContact O-CB 3.44Å; F86-N90 PolarHBondContact O-N 3.21Å; R87-N90 PolarHBondContact O-N 3.45Å; N90-G92 PolarHBondContact O-N 3.32Å
91	A	80.6	Confident	77.7	Confident	86 Å²	86	57.2 Å²	57.2	71%	0.711	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	3.3	173.3	0	0	0	0	0	113.3	R87 N88 A89	R87-A91 VanDerWaalsContact O-CB 3.27Å; R87-A91 WeakPolarHBondContact O-CB 3.25Å; R87-A91 PolarHBondContact O-N 2.94Å; N88-A91 PolarHBondContact O-N 3.21Å; A89-A91 VanDerWaalsContact C-N 3.27Å; A89-A91 PolarHBondContact O-N 3.41Å
92	G	75.3	Confident	76.3	Confident	62 Å²	62	58.2 Å²	58.2	64%	0.639	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.7	21.4	176.1	0	0	0	0	0	114.4	N88 A89 N90	N88-G92 PolarHBondContact O-N 2.97Å; A89-G92 PolarHBondContact O-N 3.02Å; N90-G92 PolarHBondContact O-N 3.32Å
93	A	77	Confident	74.7	Confident	33 Å²	33	65.3 Å²	65.3	27%	0.273	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-60.6	137.1	174.4	0	0	0	0	0	110.9	N88 A98	N88-A93 HydrophobicContact CB-CB 4.23Å; N88-A93 WeakPolarHBondContact O-CB 3.39Å; N88-A93 PolarHBondContact O-N 3.02Å; A93-A98 HydrophobicContact CB-CB 4.23Å
94	P	71.2	Confident	72.8	Confident	87 Å²	87	67.2 Å²	67.2	57%	0.565	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-65.4	151.5	177.1	26.3	-32.1	0	0	0	111.1	G96 A97	P94-G96 PolarHBondContact O-N 3.02Å; P94-A97 HydrophobicContact CG-CB 4.12Å; P94-A97 WeakPolarHBondContact O-CB 3.34Å; P94-A97 PolarHBondContact O-N 3.09Å; P94-A97 VanDerWaalsContact O-N 3.07Å
95	P	64.9	Low	70.8	Confident	98 Å²	98	73.9 Å²	73.9	64%	0.636	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	133.8	177.6	-26.6	34.3	0	0	0	112	A48	A48-P95 HydrophobicContact CB-CB 4.2Å
96	G	67.6	Low	68.4	Low	20 Å²	20	77.8 Å²	77.8	21%	0.206	49%	0.49	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.5	-3.9	-176.4	0	0	0	0	0	115.8	S52 E53 P94	S52-G96 VanDerWaalsContact CB-O 3.29Å; S52-G96 WeakPolarHBondContact CB-O 3.3Å; S52-G96 WeakPolarHBondContact OG-CA 3.4Å; S52-G96 PolarHBondContact OG-O 3.37Å; E53-G96 WeakPolarHBondContact OE1-CA 3.45Å; E53-G96 PolarHBondContact OE1-N 3.46Å; E53-G96 PolarHBondContact OE2-N 3.45Å; P94-G96 PolarHBondContact O-N 3.02Å
97	A	71	Confident	65.8	Low	49 Å²	49	81.4 Å²	81.4	41%	0.405	52%	0.522	S	S	.	.	S	Bend	trans	-119.1	-3.6	176.6	0	0	0	0	0	113.3	P94	P94-A97 HydrophobicContact CG-CB 4.12Å; P94-A97 WeakPolarHBondContact O-CB 3.34Å; P94-A97 PolarHBondContact O-N 3.09Å; P94-A97 VanDerWaalsContact O-N 3.07Å
98	A	74.4	Confident	63.3	Low	3 Å²	3	80.6 Å²	80.6	3%	0.025	53%	0.534	C	S	.	.	S	Bend	trans	-75.8	-35.7	179.7	0	0	0	0	0	110.7	E53 F85 N88 A89 A93 Q100	E53-A98 PolarHBondContact OE1-N 3.37Å; E53-A98 VanDerWaalsContact OE1-N 3.13Å; F85-A98 WeakPolarHBondContact CA-O 3.45Å; F85-A98 HydrophobicContact CD2-CB 3.75Å; F85-A98 HydrophobicContact CE2-CB 3.69Å; N88-A98 HydrophobicContact CB-CB 4.19Å; N88-A98 WeakPolarHBondContact CB-O 3.37Å; N88-A98 PolarHBondContact ND2-O 2.93Å; A89-A98 HydrophobicContact CB-CB 4.04Å; A93-A98 HydrophobicContact CB-CB 4.23Å; A98-Q100 PolarHBondContact O-N 3.18Å
99	Y	73.6	Confident	61.2	Low	94 Å²	94	87.3 Å²	87.3	37%	0.369	56%	0.564	S	S	.	*			trans	-74.6	119.2	175.8	-176.4	-98.2	0	0	0	111.4	E53 F55	E53-Y99 PolarHBondContact OE1-N 3.22Å; E53-Y99 VanDerWaalsContact OE1-N 3.09Å; F55-Y99 AromaticContact CE1-CD2 3.89Å; F55-Y99 HydrophobicContact CE1-CD2 3.89Å; F55-Y99 HydrophobicContact CE1-CE2 4.42Å; F55-Y99 HydrophobicContact CE1-CG 4.16Å; F55-Y99 HydrophobicContact CZ-CD2 4.09Å; F55-Y99 HydrophobicContact CZ-CG 4.47Å
100	Q	66.2	Low	58.9	Low	120 Å²	120	92.5 Å²	92.5	56%	0.561	59%	0.585	S	S	*	*			trans	-122.8	124.4	166.7	-72.1	-178.3	-10	0	0	108.6	V84 A98	V84-Q100 HydrophobicContact CG1-CB 3.93Å; A98-Q100 PolarHBondContact O-N 3.18Å
101	S	57.6	Low	56.8	Low	90 Å²	90	92.3 Å²	92.3	63%	0.629	59%	0.592	S	S	*	*			trans	-59.2	128.9	176	-174	0	0	0	0	109.4	L103	S101-L103 PolarHBondContact O-N 3.13Å; S101-L103 VanDerWaalsContact O-N 3.15Å
102	P	52.5	Low	55	Low	40 Å²	40	92.3 Å²	92.3	26%	0.26	59%	0.587	S	S	.	*			trans	-56.8	122	179.4	-22.9	31.6	0	0	0	111.1	G104	P102-G104 VanDerWaalsContact C-N 3.31Å; P102-G104 PolarHBondContact O-N 3.3Å
103	L	55	Low	53.4	Low	181 Å²	181	97.5 Å²	97.5	95%	0.948	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.9	92.6	167.4	-76	158.2	0	0	0	108.6	S101	S101-L103 PolarHBondContact O-N 3.13Å; S101-L103 VanDerWaalsContact O-N 3.15Å
104	G	47.7	Very low	51.5	Low	65 Å²	65	102.4 Å²	102.4	67%	0.67	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-176.1	-7.9	-172.3	0	0	0	0	0	116.4	P102	P102-G104 VanDerWaalsContact C-N 3.31Å; P102-G104 PolarHBondContact O-N 3.3Å
105	L	39.6	Very low	50	Low	175 Å²	175	101.5 Å²	101.5	92%	0.916	63%	0.631	S	S	*	*			trans	-115.1	55.8	163	-74.4	164.2	0	0	0	109.2	A107	L105-A107 PolarHBondContact O-N 3.45Å; L105-A107 VanDerWaalsContact O-N 3.16Å
106	A	35.6	Very low	49	Very low	94 Å²	94	101 Å²	101	78%	0.777	64%	0.636	S	S	*	*			trans	-69	102.5	156.5	0	0	0	0	0	106.6
107	A	35.8	Very low	47.9	Very low	86 Å²	86	106.2 Å²	106.2	71%	0.711	66%	0.655	S	S	*	*			trans	-51.3	139.3	158.5	0	0	0	0	0	108.1	L105 Q109	L105-A107 PolarHBondContact O-N 3.45Å; L105-A107 VanDerWaalsContact O-N 3.16Å; A107-Q109 PolarHBondContact O-N 3.12Å
108	P	35.8	Very low	47	Very low	115 Å²	115	109 Å²	109	75%	0.747	67%	0.669	S	S	*	*			trans	-57.6	141.4	-173.1	22.9	-32.1	0	0	0	110.8	L110	P108-L110 PolarHBondContact O-N 3.24Å
109	Q	38.6	Very low	46.4	Very low	184 Å²	184	114.6 Å²	114.6	86%	0.86	70%	0.698	S	S	*	*			trans	-51.2	101.4	169.5	-74.5	176.9	-40.6	0	0	110.3	A107	A107-Q109 PolarHBondContact O-N 3.12Å
110	L	33.7	Very low	46.4	Very low	153 Å²	153	112.6 Å²	112.6	80%	0.801	70%	0.701	S	S	*	*			trans	-106.9	58	153.6	-93.2	156	0	0	0	107.7	P108 S112	P108-L110 PolarHBondContact O-N 3.24Å; L110-S112 VanDerWaalsContact C-N 3.26Å; L110-S112 PolarHBondContact O-N 2.79Å
111	S	38.7	Very low	47	Very low	104 Å²	104	113.5 Å²	113.5	73%	0.727	71%	0.705	S	S	*	*			trans	-90.6	69.5	161.7	62.1	0	0	0	0	109
112	S	43.8	Very low	48.1	Very low	86 Å²	86	113.1 Å²	113.1	60%	0.601	69%	0.693	S	S	*	*	S	Bend	trans	-164.6	109.1	151.6	58	0	0	0	0	107.9	L110	L110-S112 VanDerWaalsContact C-N 3.26Å; L110-S112 PolarHBondContact O-N 2.79Å
113	L	39.9	Very low	49.6	Very low	170 Å²	170	115.9 Å²	115.9	89%	0.89	71%	0.705	S	S	*	*	S	Bend	trans	94.2	52.5	171.9	-50	165.1	0	0	0	118.5
114	V	38.4	Very low	51.1	Low	137 Å²	137	111.5 Å²	111.5	83%	0.83	69%	0.685	S	S	*	*			trans	-161.2	110.5	131.6	-176.1	0	0	0	0	106.7	A116	V114-A116 PolarHBondContact O-N 2.75Å
115	G	38.6	Very low	53	Low	67 Å²	67	113.8 Å²	113.8	69%	0.691	68%	0.678	S	S	*	*			trans	-67.4	114.6	161.3	0	0	0	0	0	107.7	Q117	G115-Q117 PolarHBondContact O-N 2.97Å
116	A	44	Very low	55.3	Low	88 Å²	88	105.7 Å²	105.7	73%	0.727	64%	0.636	S	S	*	*			trans	-60.3	104.7	167.3	0	0	0	0	0	106.8	V114	V114-A116 PolarHBondContact O-N 2.75Å
117	Q	44.5	Very low	58	Low	129 Å²	129	104 Å²	104	60%	0.603	61%	0.612	S	S	*	*			trans	-70.7	132.4	178.4	-69.7	-140.6	-19.6	0	0	108.4	G115 N119 A120	G115-Q117 PolarHBondContact O-N 2.97Å; Q117-N119 HydrophobicContact CB-CB 4.47Å; Q117-N119 PolarHBondContact O-N 2.9Å; Q117-A120 PolarHBondContact O-N 3.25Å
118	P	52.5	Low	60.6	Low	109 Å²	109	104.7 Å²	104.7	71%	0.708	60%	0.603	S	S	*	*	H	α-helix	trans	-54	-19	173.2	16.6	-28.4	0	0	0	113.5
119	N	62.8	Low	63.2	Low	119 Å²	119	99.8 Å²	99.8	64%	0.636	57%	0.572	S	S	*	*	H	α-helix	trans	-69.8	-24.2	173	-77.9	-9.6	0	0	0	114.8	Q117 L123	Q117-N119 HydrophobicContact CB-CB 4.47Å; Q117-N119 PolarHBondContact O-N 2.9Å; N119-L123 WeakPolarHBondContact O-CB 3.38Å; N119-L123 PolarHBondContact O-N 3.03Å
120	A	72.2	Confident	65.7	Low	53 Å²	53	91.2 Å²	91.2	44%	0.438	53%	0.532	S	S	.	.	H	α-helix	trans	-78.1	-40.1	-176.4	0	0	0	0	0	112.5	Q117 L123 V124	Q117-A120 PolarHBondContact O-N 3.25Å; A120-L123 PolarHBondContact O-N 3.21Å; A120-V124 WeakPolarHBondContact O-CG2 3.44Å; A120-V124 PolarHBondContact O-N 3.29Å; A120-V124 VanDerWaalsContact O-N 3.08Å
121	E	78.9	Confident	68.6	Low	138 Å²	138	88.3 Å²	88.3	65%	0.645	52%	0.515	S	S	*	.	H	α-helix	trans	-64.5	-48.2	174.8	-71.4	177	173.5	0	0	110.6	L123 V124 E125	E121-L123 VanDerWaalsContact C-N 3.31Å; E121-L123 PolarHBondContact O-N 3.44Å; E121-V124 PolarHBondContact O-N 2.75Å; E121-V124 VanDerWaalsContact O-N 3.1Å; E121-E125 WeakPolarHBondContact O-CG 3.44Å; E121-E125 PolarHBondContact O-N 3.03Å
122	K	81.5	Confident	71.1	Confident	83 Å²	83	87.1 Å²	87.1	36%	0.361	50%	0.503	S	S	.	.	H	α-helix	trans	-60.2	-38.9	175.8	-174.8	54.1	174.2	148.4	0	112.5	V124 E125 D126 G176	K122-V124 VanDerWaalsContact C-N 3.34Å; K122-V124 PolarHBondContact O-N 3.24Å; K122-E125 PolarHBondContact O-N 2.99Å; K122-D126 WeakPolarHBondContact CE-OD1 3.47Å; K122-D126 IonicContact NZ-OD1 3.81Å; K122-D126 PolarHBondContact NZ-OD1 3.47Å; K122-D126 WeakPolarHBondContact O-CB 3.39Å; K122-D126 PolarHBondContact O-N 3.39Å; K122-G176 PolarHBondContact NZ-O 2.81Å; K122-G176 VanDerWaalsContact NZ-O 3.14Å
123	L	83.3	Confident	73.4	Confident	98 Å²	98	83 Å²	83	51%	0.513	48%	0.475	S	S	.	.	H	α-helix	trans	-63.1	-39.4	175.1	-175.9	71.2	0	0	0	112.4	N119 A120 E121 H127	N119-L123 WeakPolarHBondContact O-CB 3.38Å; N119-L123 PolarHBondContact O-N 3.03Å; A120-L123 PolarHBondContact O-N 3.21Å; E121-L123 VanDerWaalsContact C-N 3.31Å; E121-L123 PolarHBondContact O-N 3.44Å; L123-H127 PolarHBondContact O-N 3.19Å; L123-H127 VanDerWaalsContact O-N 3.09Å; L123-H127 PolarHBondContact O-ND1 3.1Å
124	V	86.9	Confident	76	Confident	88 Å²	88	75 Å²	75	53%	0.533	43%	0.433	S	S	.	.	H	α-helix	trans	-68.6	-43.8	176.4	171.6	0	0	0	0	110.6	A120 E121 K122 D126 H127 L128	A120-V124 WeakPolarHBondContact O-CG2 3.44Å; A120-V124 PolarHBondContact O-N 3.29Å; A120-V124 VanDerWaalsContact O-N 3.08Å; E121-V124 PolarHBondContact O-N 2.75Å; E121-V124 VanDerWaalsContact O-N 3.1Å; K122-V124 VanDerWaalsContact C-N 3.34Å; K122-V124 PolarHBondContact O-N 3.24Å; V124-D126 PolarHBondContact O-N 3.38Å; V124-H127 PolarHBondContact O-N 3.23Å; V124-L128 HydrophobicContact CG1-CD1 4.19Å; V124-L128 WeakPolarHBondContact O-CG 3.33Å; V124-L128 PolarHBondContact O-N 3.05Å
125	E	87.7	Confident	78.6	Confident	114 Å²	114	76 Å²	76	53%	0.533	42%	0.421	S	S	.	.	H	α-helix	trans	-56.7	-48.2	173.6	-72.7	177.6	174.3	0	0	111.5	E121 K122 H127 L128 A129	E121-E125 WeakPolarHBondContact O-CG 3.44Å; E121-E125 PolarHBondContact O-N 3.03Å; K122-E125 PolarHBondContact O-N 2.99Å; E125-H127 VanDerWaalsContact C-N 3.31Å; E125-H127 PolarHBondContact O-N 3.03Å; E125-L128 PolarHBondContact O-N 3Å; E125-A129 WeakPolarHBondContact O-CB 3.36Å; E125-A129 PolarHBondContact O-N 3.26Å
126	D	89.1	Confident	81.2	Confident	5 Å²	5	72.9 Å²	72.9	3%	0.027	39%	0.389	C	S	.	.	H	α-helix	trans	-62.5	-38.1	179.3	-64.1	-12.4	0	0	0	111	K122 V124 A129 V130 L177 K184 F186	K122-D126 WeakPolarHBondContact CE-OD1 3.47Å; K122-D126 IonicContact NZ-OD1 3.81Å; K122-D126 PolarHBondContact NZ-OD1 3.47Å; K122-D126 WeakPolarHBondContact O-CB 3.39Å; K122-D126 PolarHBondContact O-N 3.39Å; V124-D126 PolarHBondContact O-N 3.38Å; D126-A129 WeakPolarHBondContact O-CB 3.27Å; D126-A129 PolarHBondContact O-N 3.47Å; D126-V130 WeakPolarHBondContact O-CG2 3.5Å; D126-V130 PolarHBondContact O-N 2.8Å; D126-L177 HydrophobicContact CB-CD2 4.18Å; D126-K184 IonicContact OD2-NZ 3.83Å; D126-F186 HydrophobicContact CB-CE1 3.68Å; D126-F186 HydrophobicContact CB-CZ 4.1Å
127	H	90.4	Very high	83.5	Confident	59 Å²	59	68.7 Å²	68.7	27%	0.273	36%	0.355	S	S	.	.	H	α-helix	trans	-66.6	-41.1	174.6	-81.8	79.6	0	0	0	112.9	L123 V124 E125 A129 V130 Q131 F186 R187	L123-H127 PolarHBondContact O-N 3.19Å; L123-H127 VanDerWaalsContact O-N 3.09Å; L123-H127 PolarHBondContact O-ND1 3.1Å; V124-H127 PolarHBondContact O-N 3.23Å; E125-H127 VanDerWaalsContact C-N 3.31Å; E125-H127 PolarHBondContact O-N 3.03Å; H127-A129 VanDerWaalsContact C-N 3.32Å; H127-V130 PolarHBondContact O-N 2.94Å; H127-Q131 WeakPolarHBondContact O-CB 3.45Å; H127-Q131 PolarHBondContact O-N 2.88Å; H127-F186 AromaticContact CE1-CD1 3.86Å; H127-F186 AromaticContact ND1-CD1 3.93Å; H127-F186 AromaticContact NE2-CD1 3.94Å; H127-R187 PolarHBondContact NE2-N 3.04Å
128	L	90.3	Very high	85.9	Confident	99 Å²	99	62.8 Å²	62.8	52%	0.518	33%	0.327	S	S	.	.	H	α-helix	trans	-66.1	-36.8	175.3	-70	174.3	0	0	0	111.4	V124 E125 Q131 T132	V124-L128 HydrophobicContact CG1-CD1 4.19Å; V124-L128 WeakPolarHBondContact O-CG 3.33Å; V124-L128 PolarHBondContact O-N 3.05Å; E125-L128 PolarHBondContact O-N 3Å; L128-Q131 PolarHBondContact O-N 3.08Å; L128-T132 WeakPolarHBondContact O-CB 3.39Å; L128-T132 PolarHBondContact O-N 3.19Å; L128-T132 PolarHBondContact O-OG1 3.06Å
129	A	91.3	Very high	87.9	Confident	12 Å²	12	60.4 Å²	60.4	10%	0.099	31%	0.308	C	S	.	.	H	α-helix	trans	-61.5	-48.2	173.5	0	0	0	0	0	111.1	E125 D126 H127 Q131 T132 L133 Y175 L177	E125-A129 WeakPolarHBondContact O-CB 3.36Å; E125-A129 PolarHBondContact O-N 3.26Å; D126-A129 WeakPolarHBondContact O-CB 3.27Å; D126-A129 PolarHBondContact O-N 3.47Å; H127-A129 VanDerWaalsContact C-N 3.32Å; A129-Q131 PolarHBondContact O-N 2.62Å; A129-T132 PolarHBondContact O-N 3.19Å; A129-T132 VanDerWaalsContact O-N 3.17Å; A129-L133 WeakPolarHBondContact O-CB 3.38Å; A129-L133 PolarHBondContact O-N 3.38Å; A129-Y175 WeakPolarHBondContact CB-O 3.34Å; A129-L177 HydrophobicContact CB-CD1 4.28Å; A129-L177 HydrophobicContact CB-CD2 4.42Å; A129-L177 HydrophobicContact CB-CG 4.28Å
130	V	92.1	Very high	89.2	Confident	4 Å²	4	58.3 Å²	58.3	2%	0.024	29%	0.291	C	S	.	.	H	α-helix	trans	-63.4	-38.5	176.1	173.7	0	0	0	0	112.2	D126 H127 T132 L133 I134 L177 F186 L203 I206	D126-V130 WeakPolarHBondContact O-CG2 3.5Å; D126-V130 PolarHBondContact O-N 2.8Å; H127-V130 PolarHBondContact O-N 2.94Å; V130-T132 VanDerWaalsContact C-N 3.33Å; V130-T132 PolarHBondContact O-N 3.34Å; V130-L133 WeakPolarHBondContact O-CB 3.32Å; V130-L133 PolarHBondContact O-N 2.63Å; V130-I134 HydrophobicContact CG1-CD1 4.14Å; V130-I134 WeakPolarHBondContact O-CG1 2.83Å; V130-I134 PolarHBondContact O-N 2.63Å; V130-L177 HydrophobicContact CG2-CD1 4.17Å; V130-F186 HydrophobicContact CB-CD1 4.29Å; V130-F186 HydrophobicContact CB-CG 4.36Å; V130-F186 HydrophobicContact CG1-CB 4.2Å; V130-F186 HydrophobicContact CG1-CG 4.34Å; V130-F186 HydrophobicContact CG2-CD1 3.76Å; V130-F186 HydrophobicContact CG2-CD2 3.98Å; V130-F186 HydrophobicContact CG2-CE1 3.85Å; V130-F186 HydrophobicContact CG2-CE2 4.06Å; V130-F186 HydrophobicContact CG2-CG 3.81Å; V130-F186 HydrophobicContact CG2-CZ 3.99Å; V130-L203 HydrophobicContact CG2-CD1 3.89Å; V130-I206 HydrophobicContact CG1-CD1 3.83Å; V130-I206 HydrophobicContact CG1-CG2 4.46Å
131	Q	92.9	Very high	90.2	Very high	92 Å²	92	55.8 Å²	55.8	43%	0.43	27%	0.27	S	S	.	.	H	α-helix	trans	-63.8	-40.5	174	-176	177.5	-3.4	0	0	111.9	H127 L128 A129 R135 P189	H127-Q131 WeakPolarHBondContact O-CB 3.45Å; H127-Q131 PolarHBondContact O-N 2.88Å; L128-Q131 PolarHBondContact O-N 3.08Å; A129-Q131 PolarHBondContact O-N 2.62Å; Q131-R135 WeakPolarHBondContact O-CB 3.39Å; Q131-R135 PolarHBondContact O-N 3.22Å; Q131-R135 VanDerWaalsContact O-N 3.08Å; Q131-P189 HydrophobicContact CG-CB 4.46Å; Q131-P189 HydrophobicContact CG-CG 4.43Å
132	T	91.9	Very high	90.8	Very high	80 Å²	80	49.5 Å²	49.5	49%	0.491	24%	0.241	S	C	.	.	H	α-helix	trans	-67.1	-39.7	177	-53.7	0	0	0	0	110.9	L128 A129 V130 R135 A136 Y175	L128-T132 WeakPolarHBondContact O-CB 3.39Å; L128-T132 PolarHBondContact O-N 3.19Å; L128-T132 PolarHBondContact O-OG1 3.06Å; A129-T132 PolarHBondContact O-N 3.19Å; A129-T132 VanDerWaalsContact O-N 3.17Å; V130-T132 VanDerWaalsContact C-N 3.33Å; V130-T132 PolarHBondContact O-N 3.34Å; T132-R135 PolarHBondContact O-N 2.84Å; T132-A136 PolarHBondContact O-N 3.5Å; T132-Y175 HydrophobicContact CG2-CE1 3.93Å
133	L	92.6	Very high	91.2	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-58.9	-51.5	173.7	176	66.1	0	0	0	111.7	A129 V130 R135 A136 Y137 I166 Y175 L203 I207	A129-L133 WeakPolarHBondContact O-CB 3.38Å; A129-L133 PolarHBondContact O-N 3.38Å; V130-L133 WeakPolarHBondContact O-CB 3.32Å; V130-L133 PolarHBondContact O-N 2.63Å; L133-R135 VanDerWaalsContact C-N 3.27Å; L133-R135 PolarHBondContact O-N 3.4Å; L133-A136 WeakPolarHBondContact O-CB 3.49Å; L133-A136 PolarHBondContact O-N 3.17Å; L133-A136 VanDerWaalsContact O-N 3.07Å; L133-Y137 HydrophobicContact CD1-CD2 4.08Å; L133-Y137 HydrophobicContact CD1-CE2 3.69Å; L133-Y137 HydrophobicContact CG-CD2 4.46Å; L133-Y137 HydrophobicContact CG-CE2 4.35Å; L133-Y137 WeakPolarHBondContact O-CD2 3.3Å; L133-Y137 PolarHBondContact O-N 3.01Å; L133-Y137 VanDerWaalsContact O-N 3.16Å; L133-I166 HydrophobicContact CD1-CD1 4.19Å; L133-I166 HydrophobicContact CD1-CG1 3.53Å; L133-Y175 HydrophobicContact CB-CD1 4.41Å; L133-Y175 HydrophobicContact CB-CE1 4.19Å; L133-Y175 HydrophobicContact CD1-CD2 4.16Å; L133-Y175 HydrophobicContact CD1-CE2 3.67Å; L133-L203 HydrophobicContact CD2-CD1 3.91Å; L133-I207 HydrophobicContact CD2-CD1 4.43Å; L133-I207 HydrophobicContact CD2-CG1 4.03Å
134	I	94.1	Very high	91.5	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.01	22%	0.219	C	C	.	.	H	α-helix	trans	-53.8	-47.9	175.2	-70.8	161.8	0	0	0	110.2	V130 A136 Y137 Q138 P189 T192 I206 L210	V130-I134 HydrophobicContact CG1-CD1 4.14Å; V130-I134 WeakPolarHBondContact O-CG1 2.83Å; V130-I134 PolarHBondContact O-N 2.63Å; I134-A136 VanDerWaalsContact C-N 3.31Å; I134-A136 PolarHBondContact O-N 3.11Å; I134-Y137 PolarHBondContact O-N 3.14Å; I134-Q138 WeakPolarHBondContact O-CG 3.49Å; I134-Q138 PolarHBondContact O-N 3.19Å; I134-Q138 VanDerWaalsContact O-N 3.09Å; I134-P189 HydrophobicContact CD1-CG 3.9Å; I134-T192 HydrophobicContact CD1-CG2 4.34Å; I134-T192 HydrophobicContact CG2-CG2 4.45Å; I134-I206 HydrophobicContact CD1-CG2 4.29Å; I134-I206 HydrophobicContact CG1-CG2 3.99Å; I134-L210 HydrophobicContact CB-CD1 4.41Å; I134-L210 HydrophobicContact CG1-CD1 3.91Å; I134-L210 HydrophobicContact CG1-CD2 4.48Å; I134-L210 HydrophobicContact CG2-CD2 4.24Å
135	R	93.2	Very high	91.8	Very high	156 Å²	156	41.2 Å²	41.2	59%	0.589	20%	0.2	S	C	*	.	H	α-helix	trans	-63.2	-36.4	179.3	-175.7	168.4	-177.6	168.1	1.2	112.4	Q131 T132 L133 Q138 I139	Q131-R135 WeakPolarHBondContact O-CB 3.39Å; Q131-R135 PolarHBondContact O-N 3.22Å; Q131-R135 VanDerWaalsContact O-N 3.08Å; T132-R135 PolarHBondContact O-N 2.84Å; L133-R135 VanDerWaalsContact C-N 3.27Å; L133-R135 PolarHBondContact O-N 3.4Å; R135-Q138 PolarHBondContact O-N 2.94Å; R135-I139 HydrophobicContact CG-CD1 3.7Å; R135-I139 HydrophobicContact CG-CG1 4.32Å; R135-I139 VanDerWaalsContact O-CG1 3.27Å; R135-I139 WeakPolarHBondContact O-CG1 3.37Å; R135-I139 PolarHBondContact O-N 2.8Å
136	A	92.7	Very high	92	Very high	2 Å²	2	41 Å²	41	2%	0.017	20%	0.199	C	C	.	.	H	α-helix	trans	-62.1	-45.5	176.7	0	0	0	0	0	111.4	T132 L133 I134 Q138 I139 R140 I165 Y175	T132-A136 PolarHBondContact O-N 3.5Å; L133-A136 WeakPolarHBondContact O-CB 3.49Å; L133-A136 PolarHBondContact O-N 3.17Å; L133-A136 VanDerWaalsContact O-N 3.07Å; I134-A136 VanDerWaalsContact C-N 3.31Å; I134-A136 PolarHBondContact O-N 3.11Å; A136-Q138 PolarHBondContact O-N 3.25Å; A136-I139 PolarHBondContact O-N 2.96Å; A136-R140 PolarHBondContact O-N 2.97Å; A136-I165 HydrophobicContact CB-CD1 4.1Å; A136-I165 WeakPolarHBondContact O-CD1 3.49Å; A136-Y175 WeakPolarHBondContact CB-OH 3.4Å
137	Y	93.3	Very high	92.3	Very high	1 Å²	1	41.4 Å²	41.4	0%	0.004	20%	0.201	C	C	.	.	H	α-helix	trans	-62	-41.4	174.9	-84	-98.4	0	0	0	112.6	L133 I134 I139 G141 I165 I166 L210 E211 C215	L133-Y137 HydrophobicContact CD1-CD2 4.08Å; L133-Y137 HydrophobicContact CD1-CE2 3.69Å; L133-Y137 HydrophobicContact CG-CD2 4.46Å; L133-Y137 HydrophobicContact CG-CE2 4.35Å; L133-Y137 WeakPolarHBondContact O-CD2 3.3Å; L133-Y137 PolarHBondContact O-N 3.01Å; L133-Y137 VanDerWaalsContact O-N 3.16Å; I134-Y137 PolarHBondContact O-N 3.14Å; Y137-I139 VanDerWaalsContact C-N 3.28Å; Y137-I139 PolarHBondContact O-N 3.34Å; Y137-G141 VanDerWaalsContact O-CA 3.28Å; Y137-G141 WeakPolarHBondContact O-CA 3.41Å; Y137-G141 PolarHBondContact O-N 3.03Å; Y137-I165 HydrophobicContact CD2-CD1 4.2Å; Y137-I165 HydrophobicContact CE1-CG2 4.11Å; Y137-I165 HydrophobicContact CE2-CG2 4.42Å; Y137-I165 HydrophobicContact CG-CD1 4.24Å; Y137-I166 WeakPolarHBondContact OH-CB 3.43Å; Y137-I166 PolarHBondContact OH-O 3.31Å; Y137-I166 VanDerWaalsContact OH-O 3.07Å; Y137-L210 HydrophobicContact CD1-CB 3.71Å; Y137-L210 HydrophobicContact CD2-CB 4.25Å; Y137-L210 HydrophobicContact CD2-CD1 3.89Å; Y137-L210 HydrophobicContact CE1-CB 4.18Å; Y137-L210 HydrophobicContact CE2-CD1 4.44Å; Y137-L210 HydrophobicContact CG-CB 3.75Å; Y137-L210 HydrophobicContact CG-CD1 4.09Å; Y137-L210 HydrophobicContact CG-CG 4.38Å; Y137-E211 HydrophobicContact CE1-CG 3.83Å; Y137-C215 VanDerWaalsContact CD1-SG 3.56Å; Y137-C215 VanDerWaalsContact CE1-SG 3.52Å
138	Q	94.9	Very high	92.5	Very high	5 Å²	5	39.7 Å²	39.7	2%	0.023	19%	0.194	C	C	.	.	H	α-helix	trans	-62.7	-33.5	176.6	-69.2	177.2	-13.3	0	0	113	I134 R135 A136 T191 Y214 F222 M223 E239	I134-Q138 WeakPolarHBondContact O-CG 3.49Å; I134-Q138 PolarHBondContact O-N 3.19Å; I134-Q138 VanDerWaalsContact O-N 3.09Å; R135-Q138 PolarHBondContact O-N 2.94Å; A136-Q138 PolarHBondContact O-N 3.25Å; Q138-T191 PolarHBondContact NE2-O 3.27Å; Q138-Y214 HydrophobicContact CG-CE2 3.9Å; Q138-F222 HydrophobicContact CB-CZ 4.39Å; Q138-M223 HydrophobicContact CB-CG 4.27Å; Q138-M223 HydrophobicContact CB-SD 4.21Å; Q138-M223 VanDerWaalsContact O-CG 3.25Å; Q138-M223 WeakPolarHBondContact O-CG 3.41Å; Q138-E239 PolarHBondContact NE2-OE1 2.87Å
139	I	93	Very high	92.7	Very high	59 Å²	59	35.7 Å²	35.7	30%	0.303	17%	0.174	S	C	.	.	H	α-helix	trans	-87.4	-41.2	-178.4	-62.7	170.4	0	0	0	111.6	R135 A136 Y137 H142 M223	R135-I139 HydrophobicContact CG-CD1 3.7Å; R135-I139 HydrophobicContact CG-CG1 4.32Å; R135-I139 VanDerWaalsContact O-CG1 3.27Å; R135-I139 WeakPolarHBondContact O-CG1 3.37Å; R135-I139 PolarHBondContact O-N 2.8Å; A136-I139 PolarHBondContact O-N 2.96Å; Y137-I139 VanDerWaalsContact C-N 3.28Å; Y137-I139 PolarHBondContact O-N 3.34Å; I139-H142 PolarHBondContact O-CD2 2.88Å; I139-H142 VanDerWaalsContact O-CD2 3.3Å; I139-H142 PolarHBondContact O-NE2 3.37Å; I139-M223 HydrophobicContact CD1-CE 4.42Å; I139-M223 HydrophobicContact CG1-CB 3.97Å; I139-M223 HydrophobicContact CG1-CE 3.93Å; I139-M223 HydrophobicContact CG1-CG 3.84Å
140	R	91.4	Very high	92.8	Very high	75 Å²	75	35.2 Å²	35.2	28%	0.283	17%	0.169	S	C	.	.	H	α-helix	trans	-127.1	0.1	-166.4	-70.1	-174.6	-72.2	-94.8	-19.1	115	A136 H142 H143 P162 D164 I165	A136-R140 PolarHBondContact O-N 2.97Å; R140-H142 PolarHBondContact O-N 3.27Å; R140-H142 VanDerWaalsContact O-N 3.16Å; R140-H143 WeakPolarHBondContact O-CB 3.34Å; R140-H143 PolarHBondContact O-N 3.22Å; R140-P162 HydrophobicContact CB-CG 4.5Å; R140-D164 VanDerWaalsContact CZ-CG 3.41Å; R140-D164 IonicContact CZ-OD1 3.38Å; R140-D164 VanDerWaalsContact CZ-OD1 3.28Å; R140-D164 IonicContact CZ-OD2 2.62Å; R140-D164 IonicContact NE-OD1 3.77Å; R140-D164 PolarHBondContact NE-OD1 3.28Å; R140-D164 IonicContact NE-OD2 3.47Å; R140-D164 PolarHBondContact NE-OD2 2.96Å; R140-D164 IonicContact NH1-OD2 3.29Å; R140-D164 PolarHBondContact NH1-OD2 2.89Å; R140-D164 IonicContact NH2-OD1 3.15Å; R140-D164 PolarHBondContact NH2-OD1 2.59Å; R140-D164 IonicContact NH2-OD2 3.55Å; R140-D164 PolarHBondContact NH2-OD2 3.09Å; R140-I165 HydrophobicContact CB-CD1 4.17Å; R140-I165 HydrophobicContact CB-CG1 4.21Å
141	G	92.2	Very high	92.7	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-57.4	-32.6	-179.4	0	0	0	0	0	112.8	Y137 H143 V144 A145 Y214	Y137-G141 VanDerWaalsContact O-CA 3.28Å; Y137-G141 WeakPolarHBondContact O-CA 3.41Å; Y137-G141 PolarHBondContact O-N 3.03Å; G141-H143 PolarHBondContact O-N 3.12Å; G141-H143 VanDerWaalsContact O-N 3.15Å; G141-V144 VanDerWaalsContact O-CG2 3.25Å; G141-V144 WeakPolarHBondContact O-CG2 3.48Å; G141-V144 PolarHBondContact O-N 2.88Å; G141-A145 PolarHBondContact O-N 3.38Å; G141-Y214 CarbonylContact C-O 3.57Å; G141-Y214 VanDerWaalsContact O-O 3.08Å
142	H	92.6	Very high	92.4	Very high	6 Å²	6	37.3 Å²	37.3	3%	0.028	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-59.4	-23.7	175.2	67.2	88.3	0	0	0	114.2	I139 R140 V144 A145 E221 Y460	I139-H142 PolarHBondContact O-CD2 2.88Å; I139-H142 VanDerWaalsContact O-CD2 3.3Å; I139-H142 PolarHBondContact O-NE2 3.37Å; R140-H142 PolarHBondContact O-N 3.27Å; R140-H142 VanDerWaalsContact O-N 3.16Å; H142-V144 VanDerWaalsContact C-N 3.26Å; H142-V144 PolarHBondContact O-N 3.2Å; H142-A145 PolarHBondContact O-N 3.5Å; H142-E221 HydrophobicContact CB-CG 4.33Å; H142-E221 IonicContact CE1-OE2 3.65Å; H142-E221 PolarHBondContact CE1-OE2 3.25Å; H142-E221 IonicContact ND1-OE2 2.84Å; H142-E221 IonicContact NE2-OE2 3.38Å; H142-E221 PolarHBondContact NE2-OE2 3.45Å; H142-Y460 AromaticContact CE1-CE2 3.73Å; H142-Y460 AromaticContact ND1-CE2 3.41Å; H142-Y460 WeakPolarHBondContact ND1-CE2 3.44Å; H142-Y460 AromaticContact ND1-CZ 3.52Å; H142-Y460 PolarHBondContact ND1-OH 3.12Å; H142-Y460 PolarHBondContact O-OH 3.16Å; H142-Y460 VanDerWaalsContact O-OH 3.07Å
143	H	89.5	Confident	91.5	Very high	41 Å²	41	36.3 Å²	36.3	19%	0.19	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-68.9	-24.3	175.8	-76.4	-94.1	0	0	0	113.1	R140 G141 A155 D156 P162	R140-H143 WeakPolarHBondContact O-CB 3.34Å; R140-H143 PolarHBondContact O-N 3.22Å; G141-H143 PolarHBondContact O-N 3.12Å; G141-H143 VanDerWaalsContact O-N 3.15Å; H143-A155 HydrophobicContact CB-CB 4.27Å; H143-A155 VanDerWaalsContact O-CB 3.22Å; H143-A155 WeakPolarHBondContact O-CB 3.49Å; H143-D156 IonicContact CE1-OD1 3.11Å; H143-D156 PolarHBondContact CE1-OD1 2.83Å; H143-D156 IonicContact CE1-OD2 2.66Å; H143-D156 PolarHBondContact CE1-OD2 3.07Å; H143-D156 IonicContact CG-OD2 2.73Å; H143-D156 VanDerWaalsContact ND1-CG 3.32Å; H143-D156 IonicContact ND1-OD1 2.77Å; H143-D156 PolarHBondContact ND1-OD1 3.34Å; H143-D156 IonicContact ND1-OD2 3.93Å; H143-D156 PolarHBondContact ND1-OD2 3.05Å; H143-P162 HydrophobicContact CB-CG 3.92Å
144	V	89.4	Confident	90.4	Very high	37 Å²	37	40.2 Å²	40.2	22%	0.224	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-112.2	9.1	-179.4	-59.5	0	0	0	0	112.5	G141 H142 V161 I165 T167 C215	G141-V144 VanDerWaalsContact O-CG2 3.25Å; G141-V144 WeakPolarHBondContact O-CG2 3.48Å; G141-V144 PolarHBondContact O-N 2.88Å; H142-V144 VanDerWaalsContact C-N 3.26Å; H142-V144 PolarHBondContact O-N 3.2Å; V144-V161 HydrophobicContact CG1-CG1 3.79Å; V144-I165 HydrophobicContact CG1-CG2 4.39Å; V144-I165 HydrophobicContact CG2-CG2 3.75Å; V144-T167 HydrophobicContact CG1-CG2 4.13Å; V144-C215 HydrophobicContact CG2-CB 4.04Å; V144-C215 VanDerWaalsContact CG2-SG 3.57Å
145	A	92.3	Very high	88.9	Confident	16 Å²	16	41.2 Å²	41.2	13%	0.132	22%	0.219	C	C	.	.	S	Bend	trans	-66.2	143.2	177	0	0	0	0	0	111.7	G141 H142 L147 C215 Q216	G141-A145 PolarHBondContact O-N 3.38Å; H142-A145 PolarHBondContact O-N 3.5Å; A145-L147 HydrophobicContact CB-CD1 4.04Å; A145-L147 HydrophobicContact CB-CD2 4Å; A145-L147 HydrophobicContact CB-CG 3.66Å; A145-L147 PolarHBondContact O-N 2.7Å; A145-C215 WeakPolarHBondContact CA-O 3.45Å; A145-Q216 CarbonylContact C-O 3.53Å
146	Q	93.6	Very high	87.7	Confident	111 Å²	111	35.1 Å²	35.1	52%	0.519	20%	0.198	S	C	.	.			trans	-77.2	60	177.6	-63.5	-176.2	7.2	0	0	111.5	C215 Q216 H217 N476	Q146-C215 PolarHBondContact N-O 3.36Å; Q146-Q216 PolarHBondContact N-O 3.34Å; Q146-H217 PolarHBondContact O-CD2 2.89Å; Q146-N476 PolarHBondContact O-ND2 3.32Å
147	L	94.9	Very high	86.4	Confident	12 Å²	12	37.7 Å²	37.7	6%	0.063	21%	0.211	C	C	.	.			trans	-82.3	-37.7	-172.7	-62	173.2	0	0	0	113.1	A145 P149 Y460 H474 N476 V506	A145-L147 HydrophobicContact CB-CD1 4.04Å; A145-L147 HydrophobicContact CB-CD2 4Å; A145-L147 HydrophobicContact CB-CG 3.66Å; A145-L147 PolarHBondContact O-N 2.7Å; L147-P149 VanDerWaalsContact O-CD 3.23Å; L147-P149 WeakPolarHBondContact O-CD 3.47Å; L147-Y460 HydrophobicContact CD1-CE1 4.47Å; L147-H474 HydrophobicContact CD1-CB 3.55Å; L147-H474 HydrophobicContact CD2-CB 3.71Å; L147-H474 WeakPolarHBondContact CD2-O 3.3Å; L147-H474 HydrophobicContact CG-CB 4.24Å; L147-N476 WeakPolarHBondContact O-CA 3.46Å; L147-N476 WeakPolarHBondContact O-CB 3.37Å; L147-N476 PolarHBondContact O-ND2 2.72Å; L147-V506 HydrophobicContact CB-CB 4.41Å; L147-V506 HydrophobicContact CB-CG2 4.2Å; L147-V506 WeakPolarHBondContact O-CB 3.29Å; L147-V506 WeakPolarHBondContact O-CG1 3.38Å
148	D	94.8	Very high	85.1	Confident	24 Å²	24	43.4 Å²	43.4	13%	0.128	24%	0.242	C	C	.	.			trans	-82.3	112.4	-173.4	177.7	15.3	0	0	0	111.6	L150 G151 I152 M153 Q445	D148-L150 PolarHBondContact O-N 3.39Å; D148-L150 WeakPolarHBondContact OD1-CA 3.28Å; D148-L150 WeakPolarHBondContact OD1-CB 3.38Å; D148-L150 PolarHBondContact OD1-N 3.38Å; D148-G151 PolarHBondContact O-N 3.4Å; D148-G151 PolarHBondContact OD2-N 3.4Å; D148-I152 PolarHBondContact OD2-N 3.04Å; D148-M153 HydrophobicContact CB-CB 4.46Å; D148-M153 PolarHBondContact OD2-N 3.39Å; D148-Q445 PolarHBondContact OD1-NE2 3.44Å; D148-Q445 PolarHBondContact OD1-OE1 3.32Å
149	P	94.5	Very high	83.7	Confident	14 Å²	14	46.3 Å²	46.3	9%	0.091	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-20.2	175.8	26.4	-35	0	0	0	113.5	L147 D478 Y508 Q533	L147-P149 VanDerWaalsContact O-CD 3.23Å; L147-P149 WeakPolarHBondContact O-CD 3.47Å; P149-D478 HydrophobicContact CB-CB 4.02Å; P149-Y508 HydrophobicContact CB-CD1 4.3Å; P149-Y508 HydrophobicContact CB-CE1 4.47Å; P149-Y508 HydrophobicContact CG-CD1 3.88Å; P149-Y508 HydrophobicContact CG-CE1 4.48Å; P149-Q533 PolarHBondContact O-NE2 2.95Å
150	L	93.8	Very high	82.5	Confident	2 Å²	2	47 Å²	47	1%	0.01	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-26.4	179.1	-57.6	-174.9	0	0	0	112.8	D148 I152 Y508 M526 Q529 I530 Q533	D148-L150 PolarHBondContact O-N 3.39Å; D148-L150 WeakPolarHBondContact OD1-CA 3.28Å; D148-L150 WeakPolarHBondContact OD1-CB 3.38Å; D148-L150 PolarHBondContact OD1-N 3.38Å; L150-I152 VanDerWaalsContact C-N 3.3Å; L150-I152 HydrophobicContact CB-CB 4.49Å; L150-I152 HydrophobicContact CB-CD1 3.98Å; L150-I152 HydrophobicContact CB-CG1 3.82Å; L150-I152 HydrophobicContact CB-CG2 4.15Å; L150-I152 HydrophobicContact CD1-CD1 3.64Å; L150-I152 HydrophobicContact CD1-CG1 4.31Å; L150-I152 HydrophobicContact CG-CD1 4.48Å; L150-Y508 HydrophobicContact CD2-CD1 3.93Å; L150-Y508 HydrophobicContact CD2-CG 3.9Å; L150-Y508 HydrophobicContact CG-CG 4.46Å; L150-M526 HydrophobicContact CD1-CG 3.9Å; L150-Q529 HydrophobicContact CB-CG 4.18Å; L150-Q529 HydrophobicContact CD2-CG 4.44Å; L150-Q529 VanDerWaalsContact O-CG 3.3Å; L150-Q529 WeakPolarHBondContact O-CG 3.27Å; L150-Q529 PolarHBondContact O-NE2 3.4Å; L150-I530 HydrophobicContact CD1-CD1 4.19Å; L150-I530 HydrophobicContact CD1-CG1 3.85Å; L150-I530 HydrophobicContact CD2-CG1 3.68Å; L150-I530 HydrophobicContact CG-CG1 4.45Å; L150-Q533 HydrophobicContact CD2-CG 3.63Å
151	G	89.9	Confident	81.5	Confident	68 Å²	68	46.6 Å²	46.6	70%	0.701	28%	0.278	S	S	*	.	S	Bend	trans	63.4	34.6	-174.3	0	0	0	0	0	113	D148	D148-G151 PolarHBondContact O-N 3.4Å; D148-G151 PolarHBondContact OD2-N 3.4Å
152	I	85.1	Confident	80.6	Confident	73 Å²	73	47.5 Å²	47.5	37%	0.374	28%	0.283	S	S	.	.			trans	-116.3	-14.4	-179.5	69	179.3	0	0	0	112.9	D148 L150 M526 Q529	D148-I152 PolarHBondContact OD2-N 3.04Å; L150-I152 VanDerWaalsContact C-N 3.3Å; L150-I152 HydrophobicContact CB-CB 4.49Å; L150-I152 HydrophobicContact CB-CD1 3.98Å; L150-I152 HydrophobicContact CB-CG1 3.82Å; L150-I152 HydrophobicContact CB-CG2 4.15Å; L150-I152 HydrophobicContact CD1-CD1 3.64Å; L150-I152 HydrophobicContact CD1-CG1 4.31Å; L150-I152 HydrophobicContact CG-CD1 4.48Å; I152-M526 HydrophobicContact CD1-CB 3.85Å; I152-M526 HydrophobicContact CD1-CG 3.67Å; I152-Q529 HydrophobicContact CG2-CB 4.29Å; I152-Q529 HydrophobicContact CG2-CG 4.02Å
153	M	73.8	Confident	79.5	Confident	59 Å²	59	51.8 Å²	51.8	29%	0.291	31%	0.31	S	S	.	.			trans	-110.8	137.1	177.4	-73.5	-161.4	63.4	0	0	111.6	D148 Q445 P452	D148-M153 HydrophobicContact CB-CB 4.46Å; D148-M153 PolarHBondContact OD2-N 3.39Å; M153-Q445 HydrophobicContact SD-CB 3.77Å; M153-Q445 HydrophobicContact SD-CG 3.8Å; M153-Q445 PolarHBondContact SD-OE1 2.78Å; M153-P452 HydrophobicContact CE-CB 3.71Å; M153-P452 HydrophobicContact CE-CG 3.85Å; M153-P452 HydrophobicContact SD-CB 4.35Å; M153-P452 HydrophobicContact SD-CG 3.81Å
154	D	68.6	Low	78.6	Confident	82 Å²	82	51 Å²	51	44%	0.439	31%	0.307	S	S	.	.			trans	-90.7	157	160.5	-57.8	-56.2	0	0	0	109	D156 S159	D154-D156 VanDerWaalsContact C-N 3.32Å; D154-D156 PolarHBondContact O-N 3.15Å; D154-S159 WeakPolarHBondContact OD2-CB 3.42Å; D154-S159 PolarHBondContact OD2-OG 3.17Å
155	A	64.4	Low	78.1	Confident	22 Å²	22	49.3 Å²	49.3	18%	0.182	30%	0.297	C	S	.	.	S	Bend	trans	-60.2	-42.8	177.8	0	0	0	0	0	112.1	H143 P459 Y460	H143-A155 HydrophobicContact CB-CB 4.27Å; H143-A155 VanDerWaalsContact O-CB 3.22Å; H143-A155 WeakPolarHBondContact O-CB 3.49Å; A155-P459 WeakPolarHBondContact O-CB 3.09Å; A155-Y460 HydrophobicContact CB-CE1 4.27Å; A155-Y460 WeakPolarHBondContact CB-OH 3.42Å
156	D	67.4	Low	77.2	Confident	28 Å²	28	49.1 Å²	49.1	15%	0.15	29%	0.294	C	S	.	.	S	Bend	trans	-86	140.2	176.1	-69.7	-54.5	0	0	0	111.8	H143 D154 D158 S159 C160 P459	H143-D156 IonicContact CE1-OD1 3.11Å; H143-D156 PolarHBondContact CE1-OD1 2.83Å; H143-D156 IonicContact CE1-OD2 2.66Å; H143-D156 PolarHBondContact CE1-OD2 3.07Å; H143-D156 IonicContact CG-OD2 2.73Å; H143-D156 VanDerWaalsContact ND1-CG 3.32Å; H143-D156 IonicContact ND1-OD1 2.77Å; H143-D156 PolarHBondContact ND1-OD1 3.34Å; H143-D156 IonicContact ND1-OD2 3.93Å; H143-D156 PolarHBondContact ND1-OD2 3.05Å; D154-D156 VanDerWaalsContact C-N 3.32Å; D154-D156 PolarHBondContact O-N 3.15Å; D156-D158 WeakPolarHBondContact CB-OD1 3.48Å; D156-D158 PolarHBondContact O-N 3.41Å; D156-D158 VanDerWaalsContact O-N 3.13Å; D156-S159 PolarHBondContact O-N 3.32Å; D156-S159 VanDerWaalsContact O-N 3.07Å; D156-C160 VanDerWaalsContact OD2-O 3.14Å; D156-P459 WeakPolarHBondContact OD1-CG 3.46Å
157	L	64.1	Low	75.9	Confident	57 Å²	57	47.4 Å²	47.4	30%	0.298	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-19	-176.7	-62.6	-179.5	0	0	0	113.4	R453 S458	L157-R453 HydrophobicContact CD2-CB 4.37Å; L157-S458 WeakPolarHBondContact CD1-O 3.46Å
158	D	66.1	Low	74.4	Confident	121 Å²	121	49.1 Å²	49.1	65%	0.647	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.8	6.8	178.7	70	-10.8	0	0	0	113.7	D156 C160	D156-D158 WeakPolarHBondContact CB-OD1 3.48Å; D156-D158 PolarHBondContact O-N 3.41Å; D156-D158 VanDerWaalsContact O-N 3.13Å; D158-C160 PolarHBondContact O-N 3.44Å; D158-C160 VanDerWaalsContact OD1-CB 3.26Å; D158-C160 WeakPolarHBondContact OD1-CB 3.43Å; D158-C160 PolarHBondContact OD1-N 2.89Å; D158-C160 VanDerWaalsContact OD1-N 3.11Å
159	S	66.2	Low	72.8	Confident	66 Å²	66	51 Å²	51	46%	0.462	32%	0.319	S	S	.	.			trans	61.9	20.5	-178.5	-62.1	0	0	0	0	114.6	D154 D156	D154-S159 WeakPolarHBondContact OD2-CB 3.42Å; D154-S159 PolarHBondContact OD2-OG 3.17Å; D156-S159 PolarHBondContact O-N 3.32Å; D156-S159 VanDerWaalsContact O-N 3.07Å
160	C	67.9	Low	71.2	Confident	74 Å²	74	56.3 Å²	56.3	50%	0.5	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-75.8	126.8	175.7	-168.7	0	0	0	0	110.9	D156 D158	D156-C160 VanDerWaalsContact OD2-O 3.14Å; D158-C160 PolarHBondContact O-N 3.44Å; D158-C160 VanDerWaalsContact OD1-CB 3.26Å; D158-C160 WeakPolarHBondContact OD1-CB 3.43Å; D158-C160 PolarHBondContact OD1-N 2.89Å; D158-C160 VanDerWaalsContact OD1-N 3.11Å
161	V	70.8	Confident	70.1	Confident	66 Å²	66	58.1 Å²	58.1	40%	0.4	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-94.9	128.3	171.5	178.3	0	0	0	0	108.8	V144 T163 T167	V144-V161 HydrophobicContact CG1-CG1 3.79Å; V161-T163 PolarHBondContact O-N 3.37Å; V161-T167 HydrophobicContact CG1-CG2 4.07Å
162	P	72.3	Confident	69.4	Low	19 Å²	19	55.1 Å²	55.1	12%	0.123	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-51.3	129	175.7	-28.3	35	0	0	0	112.4	R140 H143 D164 I165 K171	R140-P162 HydrophobicContact CB-CG 4.5Å; H143-P162 HydrophobicContact CB-CG 3.92Å; P162-D164 PolarHBondContact O-N 3.46Å; P162-I165 HydrophobicContact CB-CG1 4.16Å; P162-I165 PolarHBondContact O-N 3.08Å; P162-K171 PolarHBondContact O-NZ 2.87Å
163	T	70.8	Confident	68.9	Low	95 Å²	95	54.1 Å²	54.1	58%	0.583	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-19.3	-176.9	49.1	0	0	0	0	113.2	V161	V161-T163 PolarHBondContact O-N 3.37Å
164	D	70	Confident	69.2	Low	25 Å²	25	57.1 Å²	57.1	13%	0.134	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	4.8	-176	54.7	20	0	0	0	113.8	R140 P162 F174 Y175	R140-D164 VanDerWaalsContact CZ-CG 3.41Å; R140-D164 IonicContact CZ-OD1 3.38Å; R140-D164 VanDerWaalsContact CZ-OD1 3.28Å; R140-D164 IonicContact CZ-OD2 2.62Å; R140-D164 IonicContact NE-OD1 3.77Å; R140-D164 PolarHBondContact NE-OD1 3.28Å; R140-D164 IonicContact NE-OD2 3.47Å; R140-D164 PolarHBondContact NE-OD2 2.96Å; R140-D164 IonicContact NH1-OD2 3.29Å; R140-D164 PolarHBondContact NH1-OD2 2.89Å; R140-D164 IonicContact NH2-OD1 3.15Å; R140-D164 PolarHBondContact NH2-OD1 2.59Å; R140-D164 IonicContact NH2-OD2 3.55Å; R140-D164 PolarHBondContact NH2-OD2 3.09Å; P162-D164 PolarHBondContact O-N 3.46Å; D164-F174 HydrophobicContact CB-CD1 3.94Å; D164-F174 HydrophobicContact CB-CE1 3.49Å; D164-F174 VanDerWaalsContact CB-CE1 3.49Å; D164-F174 HydrophobicContact CB-CZ 3.94Å; D164-Y175 VanDerWaalsContact O-CE2 3.29Å; D164-Y175 WeakPolarHBondContact O-CE2 3.33Å; D164-Y175 VanDerWaalsContact O-CZ 3.3Å; D164-Y175 PolarHBondContact O-OH 2.97Å
165	I	78.1	Confident	69.8	Low	1 Å²	1	54.4 Å²	54.4	1%	0.005	33%	0.325	C	S	.	.	S	Bend	trans	-96.9	132.8	165.3	-60.4	-64.7	0	0	0	109.2	A136 Y137 R140 V144 P162 T167 K171	A136-I165 HydrophobicContact CB-CD1 4.1Å; A136-I165 WeakPolarHBondContact O-CD1 3.49Å; Y137-I165 HydrophobicContact CD2-CD1 4.2Å; Y137-I165 HydrophobicContact CE1-CG2 4.11Å; Y137-I165 HydrophobicContact CE2-CG2 4.42Å; Y137-I165 HydrophobicContact CG-CD1 4.24Å; R140-I165 HydrophobicContact CB-CD1 4.17Å; R140-I165 HydrophobicContact CB-CG1 4.21Å; V144-I165 HydrophobicContact CG1-CG2 4.39Å; V144-I165 HydrophobicContact CG2-CG2 3.75Å; P162-I165 HydrophobicContact CB-CG1 4.16Å; P162-I165 PolarHBondContact O-N 3.08Å; I165-T167 HydrophobicContact CG2-CG2 4.3Å; I165-T167 PolarHBondContact O-N 2.5Å; I165-K171 WeakPolarHBondContact O-CD 3.21Å
166	I	74.9	Confident	70.7	Confident	13 Å²	13	55.6 Å²	55.6	7%	0.067	34%	0.339	C	S	.	.			trans	-74.9	99.7	179.8	-51.3	-63.1	0	0	0	108.4	L133 Y137 K171 L172 Y175	L133-I166 HydrophobicContact CD1-CD1 4.19Å; L133-I166 HydrophobicContact CD1-CG1 3.53Å; Y137-I166 WeakPolarHBondContact OH-CB 3.43Å; Y137-I166 PolarHBondContact OH-O 3.31Å; Y137-I166 VanDerWaalsContact OH-O 3.07Å; I166-K171 HydrophobicContact CD1-CB 4.05Å; I166-K171 WeakPolarHBondContact CD1-O 3.4Å; I166-L172 HydrophobicContact CD1-CD2 4.39Å; I166-L172 HydrophobicContact CD1-CG 4.23Å; I166-L172 HydrophobicContact CG2-CG 4.41Å; I166-Y175 HydrophobicContact CD1-CD2 3.92Å; I166-Y175 HydrophobicContact CD1-CE2 3.98Å
167	T	65.7	Low	71.6	Confident	74 Å²	74	54.5 Å²	54.5	45%	0.454	33%	0.333	S	S	.	.	S	Bend	trans	-105.2	-7.8	172.8	59.7	0	0	0	0	112.3	V144 V161 I165 K171	V144-T167 HydrophobicContact CG1-CG2 4.13Å; V161-T167 HydrophobicContact CG1-CG2 4.07Å; I165-T167 HydrophobicContact CG2-CG2 4.3Å; I165-T167 PolarHBondContact O-N 2.5Å; T167-K171 WeakPolarHBondContact OG1-CD 3.24Å; T167-K171 VanDerWaalsContact OG1-CE 3.23Å; T167-K171 WeakPolarHBondContact OG1-CE 3.36Å; T167-K171 PolarHBondContact OG1-NZ 2.87Å
168	S	63.5	Low	72.6	Confident	49 Å²	49	55.8 Å²	55.8	34%	0.343	34%	0.34	S	S	.	.	S	Bend	trans	-164.3	155.2	-175.9	48.6	0	0	0	0	109.2	D170 K171	S168-D170 VanDerWaalsContact C-N 3.28Å; S168-D170 WeakPolarHBondContact CB-OD1 3.26Å; S168-D170 PolarHBondContact O-N 2.72Å; S168-D170 PolarHBondContact OG-OD1 2.7Å; S168-K171 WeakPolarHBondContact O-CB 3.48Å; S168-K171 PolarHBondContact O-N 3.5Å; S168-K171 VanDerWaalsContact O-N 3.09Å
169	S	61.8	Low	73.6	Confident	64 Å²	64	55.8 Å²	55.8	45%	0.448	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-68.4	-23.9	-170.9	58	0	0	0	0	114.3	K171 L172 E179	S169-K171 PolarHBondContact O-N 2.85Å; S169-L172 WeakPolarHBondContact O-CB 3.41Å; S169-L172 PolarHBondContact O-N 2.87Å; S169-E179 WeakPolarHBondContact CB-OE1 3.38Å; S169-E179 PolarHBondContact OG-OE1 3.29Å
170	D	59.9	Low	74.6	Confident	124 Å²	124	56.8 Å²	56.8	66%	0.663	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-63.2	-24.1	171.7	62.7	-34.6	0	0	0	113.3	S168 L172	S168-D170 VanDerWaalsContact C-N 3.28Å; S168-D170 WeakPolarHBondContact CB-OD1 3.26Å; S168-D170 PolarHBondContact O-N 2.72Å; S168-D170 PolarHBondContact OG-OD1 2.7Å; D170-L172 VanDerWaalsContact C-N 3.35Å
171	K	70.4	Confident	75.5	Confident	41 Å²	41	53.5 Å²	53.5	18%	0.178	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-78.2	-13.7	177.5	-67.9	-169.5	176	179.8	0	114.3	P162 I165 I166 T167 S168 S169 G173 F174	P162-K171 PolarHBondContact O-NZ 2.87Å; I165-K171 WeakPolarHBondContact O-CD 3.21Å; I166-K171 HydrophobicContact CD1-CB 4.05Å; I166-K171 WeakPolarHBondContact CD1-O 3.4Å; T167-K171 WeakPolarHBondContact OG1-CD 3.24Å; T167-K171 VanDerWaalsContact OG1-CE 3.23Å; T167-K171 WeakPolarHBondContact OG1-CE 3.36Å; T167-K171 PolarHBondContact OG1-NZ 2.87Å; S168-K171 WeakPolarHBondContact O-CB 3.48Å; S168-K171 PolarHBondContact O-N 3.5Å; S168-K171 VanDerWaalsContact O-N 3.09Å; S169-K171 PolarHBondContact O-N 2.85Å; K171-G173 PolarHBondContact O-N 3.49Å; K171-F174 VanDerWaalsContact O-CB 3.31Å; K171-F174 WeakPolarHBondContact O-CB 3.48Å; K171-F174 PolarHBondContact O-N 3.28Å; K171-F174 VanDerWaalsContact O-N 3.14Å
172	L	75.7	Confident	76.4	Confident	5 Å²	5	52.4 Å²	52.4	3%	0.026	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-58.7	-33.2	172	-80.2	152.9	0	0	0	111.2	I166 S169 D170 F174 Y175 L177 L182 L203 I207	I166-L172 HydrophobicContact CD1-CD2 4.39Å; I166-L172 HydrophobicContact CD1-CG 4.23Å; I166-L172 HydrophobicContact CG2-CG 4.41Å; S169-L172 WeakPolarHBondContact O-CB 3.41Å; S169-L172 PolarHBondContact O-N 2.87Å; D170-L172 VanDerWaalsContact C-N 3.35Å; L172-F174 PolarHBondContact O-N 3.13Å; L172-Y175 PolarHBondContact O-N 3.33Å; L172-L177 CarbonylContact C-O 3.52Å; L172-L177 HydrophobicContact CB-CB 4.39Å; L172-L177 WeakPolarHBondContact CB-O 3.44Å; L172-L177 HydrophobicContact CD2-CB 4.12Å; L172-L177 PolarHBondContact O-N 3.46Å; L172-L177 VanDerWaalsContact O-O 3.12Å; L172-L182 HydrophobicContact CD1-CD2 4.32Å; L172-L203 HydrophobicContact CD2-CD2 4.24Å; L172-I207 HydrophobicContact CD2-CD1 4.13Å
173	G	74.4	Confident	77.4	Confident	51 Å²	51	57.8 Å²	57.8	53%	0.526	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-61	-24.2	178	0	0	0	0	0	114.2	K171 Y175 G176 L177	K171-G173 PolarHBondContact O-N 3.49Å; G173-Y175 PolarHBondContact O-N 2.84Å; G173-G176 PolarHBondContact O-N 2.78Å; G173-L177 WeakPolarHBondContact CA-O 3.36Å; G173-L177 PolarHBondContact N-O 3.17Å
174	F	79.6	Confident	78.5	Confident	123 Å²	123	57.4 Å²	57.4	54%	0.539	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-59.1	-31.9	173.1	-178.5	-93.4	0	0	0	112	D164 K171 L172	D164-F174 HydrophobicContact CB-CD1 3.94Å; D164-F174 HydrophobicContact CB-CE1 3.49Å; D164-F174 VanDerWaalsContact CB-CE1 3.49Å; D164-F174 HydrophobicContact CB-CZ 3.94Å; K171-F174 VanDerWaalsContact O-CB 3.31Å; K171-F174 WeakPolarHBondContact O-CB 3.48Å; K171-F174 PolarHBondContact O-N 3.28Å; K171-F174 VanDerWaalsContact O-N 3.14Å; L172-F174 PolarHBondContact O-N 3.13Å
175	Y	82.4	Confident	79.6	Confident	25 Å²	25	60.6 Å²	60.6	10%	0.098	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-95.1	3.8	179.1	-68.1	-78.9	0	0	0	113.3	A129 T132 L133 A136 D164 I166 L172 G173 L177	A129-Y175 WeakPolarHBondContact CB-O 3.34Å; T132-Y175 HydrophobicContact CG2-CE1 3.93Å; L133-Y175 HydrophobicContact CB-CD1 4.41Å; L133-Y175 HydrophobicContact CB-CE1 4.19Å; L133-Y175 HydrophobicContact CD1-CD2 4.16Å; L133-Y175 HydrophobicContact CD1-CE2 3.67Å; A136-Y175 WeakPolarHBondContact CB-OH 3.4Å; D164-Y175 VanDerWaalsContact O-CE2 3.29Å; D164-Y175 WeakPolarHBondContact O-CE2 3.33Å; D164-Y175 VanDerWaalsContact O-CZ 3.3Å; D164-Y175 PolarHBondContact O-OH 2.97Å; I166-Y175 HydrophobicContact CD1-CD2 3.92Å; I166-Y175 HydrophobicContact CD1-CE2 3.98Å; L172-Y175 PolarHBondContact O-N 3.33Å; G173-Y175 PolarHBondContact O-N 2.84Å; Y175-L177 PolarHBondContact O-N 3.23Å
176	G	82.9	Confident	80.4	Confident	46 Å²	46	60.7 Å²	60.7	47%	0.474	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.9	23.1	-173.3	0	0	0	0	0	113.8	K122 G173	K122-G176 PolarHBondContact NZ-O 2.81Å; K122-G176 VanDerWaalsContact NZ-O 3.14Å; G173-G176 PolarHBondContact O-N 2.78Å
177	L	86.4	Confident	81.3	Confident	5 Å²	5	69.1 Å²	69.1	3%	0.026	38%	0.378	C	S	.	.			trans	-108.2	156.9	175.9	-59.9	172.5	0	0	0	110	D126 A129 V130 L172 G173 Y175 D181 L203	D126-L177 HydrophobicContact CB-CD2 4.18Å; A129-L177 HydrophobicContact CB-CD1 4.28Å; A129-L177 HydrophobicContact CB-CD2 4.42Å; A129-L177 HydrophobicContact CB-CG 4.28Å; V130-L177 HydrophobicContact CG2-CD1 4.17Å; L172-L177 CarbonylContact C-O 3.52Å; L172-L177 HydrophobicContact CB-CB 4.39Å; L172-L177 WeakPolarHBondContact CB-O 3.44Å; L172-L177 HydrophobicContact CD2-CB 4.12Å; L172-L177 PolarHBondContact O-N 3.46Å; L172-L177 VanDerWaalsContact O-O 3.12Å; G173-L177 WeakPolarHBondContact CA-O 3.36Å; G173-L177 PolarHBondContact N-O 3.17Å; Y175-L177 PolarHBondContact O-N 3.23Å; L177-D181 VanDerWaalsContact CA-OD2 3.31Å; L177-D181 WeakPolarHBondContact CA-OD2 3.17Å; L177-D181 HydrophobicContact CD2-CB 4.49Å; L177-L203 HydrophobicContact CD1-CD2 4.04Å
178	D	85.8	Confident	82.6	Confident	84 Å²	84	66.6 Å²	66.6	45%	0.449	36%	0.362	S	S	.	.			trans	-135.1	177.6	174.9	68	46.8	0	0	0	112.9	S180 D181	D178-S180 PolarHBondContact O-N 3.46Å; D178-S180 WeakPolarHBondContact OD1-CA 3.05Å; D178-S180 WeakPolarHBondContact OD1-CB 3.42Å; D178-S180 PolarHBondContact OD1-N 2.85Å; D178-S180 PolarHBondContact OD1-OG 3Å; D178-D181 PolarHBondContact N-OD2 2.63Å; D178-D181 WeakPolarHBondContact O-CB 3.32Å; D178-D181 PolarHBondContact O-N 3.33Å; D178-D181 PolarHBondContact OD1-N 3.22Å
179	E	85.2	Confident	83.9	Confident	121 Å²	121	65.5 Å²	65.5	57%	0.565	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-60.9	-26.2	-178.9	-70.2	-174.2	177.8	0	0	113.2	S169 D181 L182	S169-E179 WeakPolarHBondContact CB-OE1 3.38Å; S169-E179 PolarHBondContact OG-OE1 3.29Å; E179-D181 PolarHBondContact O-N 2.9Å; E179-L182 HydrophobicContact CB-CD1 4.35Å; E179-L182 WeakPolarHBondContact O-CB 3.46Å; E179-L182 WeakPolarHBondContact O-CG 3.44Å; E179-L182 PolarHBondContact O-N 3.49Å
180	S	87	Confident	85.2	Confident	87 Å²	87	68.8 Å²	68.8	61%	0.608	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-70.5	-17.9	177	80.7	0	0	0	0	112.7	D178	D178-S180 PolarHBondContact O-N 3.46Å; D178-S180 WeakPolarHBondContact OD1-CA 3.05Å; D178-S180 WeakPolarHBondContact OD1-CB 3.42Å; D178-S180 PolarHBondContact OD1-N 2.85Å; D178-S180 PolarHBondContact OD1-OG 3Å
181	D	88.9	Confident	86.6	Confident	6 Å²	6	65.2 Å²	65.2	3%	0.032	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-81.6	-12.5	176.9	-59.8	-41	0	0	0	113.5	L177 D178 E179 E183 K184 L203	L177-D181 VanDerWaalsContact CA-OD2 3.31Å; L177-D181 WeakPolarHBondContact CA-OD2 3.17Å; L177-D181 HydrophobicContact CD2-CB 4.49Å; D178-D181 PolarHBondContact N-OD2 2.63Å; D178-D181 WeakPolarHBondContact O-CB 3.32Å; D178-D181 PolarHBondContact O-N 3.33Å; D178-D181 PolarHBondContact OD1-N 3.22Å; E179-D181 PolarHBondContact O-N 2.9Å; D181-E183 PolarHBondContact O-N 2.74Å; D181-K184 HydrophobicContact CB-CD 4.15Å; D181-K184 VanDerWaalsContact O-CB 3.3Å; D181-K184 WeakPolarHBondContact O-CB 3Å; D181-K184 PolarHBondContact O-N 3.15Å; D181-K184 WeakPolarHBondContact OD1-CD 3.02Å; D181-K184 WeakPolarHBondContact OD1-CE 3.31Å; D181-K184 IonicContact OD1-NZ 3.83Å; D181-K184 PolarHBondContact OD1-NZ 3Å; D181-L203 HydrophobicContact CB-CD2 3.97Å
182	L	89.6	Confident	87.7	Confident	43 Å²	43	63.9 Å²	63.9	23%	0.225	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-34.5	-174	-74.6	175.8	0	0	0	113.7	L172 E179 L203 K204 I207	L172-L182 HydrophobicContact CD1-CD2 4.32Å; E179-L182 HydrophobicContact CB-CD1 4.35Å; E179-L182 WeakPolarHBondContact O-CB 3.46Å; E179-L182 WeakPolarHBondContact O-CG 3.44Å; E179-L182 PolarHBondContact O-N 3.49Å; L182-L203 HydrophobicContact CD2-CD2 4.45Å; L182-L203 HydrophobicContact CD2-CG 4.4Å; L182-L203 PolarHBondContact O-N 3.07Å; L182-K204 HydrophobicContact CB-CB 4.21Å; L182-K204 HydrophobicContact CD2-CB 4.33Å; L182-K204 WeakPolarHBondContact O-CB 3.2Å; L182-K204 PolarHBondContact O-N 2.86Å; L182-I207 HydrophobicContact CD2-CD1 4.15Å
183	E	92.8	Very high	88.6	Confident	131 Å²	131	66.4 Å²	66.4	61%	0.612	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-4.6	179.9	-58.2	-62	149.7	0	0	112.5	D181 K204	D181-E183 PolarHBondContact O-N 2.74Å; E183-K204 IonicContact OE1-NZ 2.86Å
184	K	92.8	Very high	89.6	Confident	88 Å²	88	64 Å²	64	38%	0.383	34%	0.335	S	S	.	.			trans	-70.7	139.4	174.5	-67.1	-179.3	179.2	173.3	0	110.2	D126 D181 F186 P202 L203	D126-K184 IonicContact OD2-NZ 3.83Å; D181-K184 HydrophobicContact CB-CD 4.15Å; D181-K184 VanDerWaalsContact O-CB 3.3Å; D181-K184 WeakPolarHBondContact O-CB 3Å; D181-K184 PolarHBondContact O-N 3.15Å; D181-K184 WeakPolarHBondContact OD1-CD 3.02Å; D181-K184 WeakPolarHBondContact OD1-CE 3.31Å; D181-K184 IonicContact OD1-NZ 3.83Å; D181-K184 PolarHBondContact OD1-NZ 3Å; K184-F186 HydrophobicContact CB-CD2 4.48Å; K184-F186 HydrophobicContact CB-CE2 3.68Å; K184-F186 HydrophobicContact CB-CZ 4.06Å; K184-F186 HydrophobicContact CD-CZ 4.48Å; K184-F186 WeakPolarHBondContact O-CD2 3.5Å; K184-F186 WeakPolarHBondContact O-CE2 3.23Å; K184-P202 CarbonylContact O-C 3.6Å; K184-P202 VanDerWaalsContact O-CA 3.29Å; K184-P202 WeakPolarHBondContact O-CA 3.34Å; K184-L203 PolarHBondContact O-N 2.91Å
185	V	93.6	Very high	90.2	Very high	92 Å²	92	58.3 Å²	58.3	56%	0.558	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.1	127.8	-179.2	178.3	0	0	0	0	110.3	A200 L201 P202	V185-A200 HydrophobicContact CG1-CB 3.8Å; V185-L201 WeakPolarHBondContact CA-O 3.43Å; V185-P202 HydrophobicContact CG2-CG 4.3Å
186	F	94.3	Very high	90.6	Very high	2 Å²	2	59.4 Å²	59.4	1%	0.009	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	139.8	-179.8	-67.2	-85.7	0	0	0	111	D126 H127 V130 K184 A200 L201 L203 I206	D126-F186 HydrophobicContact CB-CE1 3.68Å; D126-F186 HydrophobicContact CB-CZ 4.1Å; H127-F186 AromaticContact CE1-CD1 3.86Å; H127-F186 AromaticContact ND1-CD1 3.93Å; H127-F186 AromaticContact NE2-CD1 3.94Å; V130-F186 HydrophobicContact CB-CD1 4.29Å; V130-F186 HydrophobicContact CB-CG 4.36Å; V130-F186 HydrophobicContact CG1-CB 4.2Å; V130-F186 HydrophobicContact CG1-CG 4.34Å; V130-F186 HydrophobicContact CG2-CD1 3.76Å; V130-F186 HydrophobicContact CG2-CD2 3.98Å; V130-F186 HydrophobicContact CG2-CE1 3.85Å; V130-F186 HydrophobicContact CG2-CE2 4.06Å; V130-F186 HydrophobicContact CG2-CG 3.81Å; V130-F186 HydrophobicContact CG2-CZ 3.99Å; K184-F186 HydrophobicContact CB-CD2 4.48Å; K184-F186 HydrophobicContact CB-CE2 3.68Å; K184-F186 HydrophobicContact CB-CZ 4.06Å; K184-F186 HydrophobicContact CD-CZ 4.48Å; K184-F186 WeakPolarHBondContact O-CD2 3.5Å; K184-F186 WeakPolarHBondContact O-CE2 3.23Å; F186-A200 CarbonylContact O-C 3.55Å; F186-A200 WeakPolarHBondContact O-CA 3.31Å; F186-A200 WeakPolarHBondContact O-CB 3.16Å; F186-L201 PolarHBondContact N-O 2.81Å; F186-L201 PolarHBondContact O-N 2.84Å; F186-L203 HydrophobicContact CD2-CB 3.91Å; F186-L203 HydrophobicContact CE2-CB 3.76Å; F186-L203 HydrophobicContact CE2-CD2 4.39Å; F186-I206 HydrophobicContact CB-CD1 3.95Å
187	R	94.1	Very high	90.9	Very high	191 Å²	191	63 Å²	63	72%	0.721	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.9	131.6	171.9	-174.3	175.7	179.3	169.6	-0	109.8	H127	H127-R187 PolarHBondContact NE2-N 3.04Å
188	L	93.6	Very high	91.2	Very high	21 Å²	21	67.1 Å²	67.1	11%	0.11	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-77.1	139.4	179.6	-61	178.3	0	0	0	111	T192 I194 T199 L201 I206	L188-T192 HydrophobicContact CB-CG2 4.13Å; L188-I194 HydrophobicContact CD1-CG1 4.12Å; L188-I194 HydrophobicContact CD2-CD1 4.02Å; L188-I194 HydrophobicContact CD2-CG1 4.17Å; L188-T199 PolarHBondContact N-O 3.13Å; L188-L201 HydrophobicContact CD1-CD1 3.91Å; L188-L201 HydrophobicContact CD1-CG 4.08Å; L188-L201 HydrophobicContact CD2-CD1 4.41Å; L188-I206 HydrophobicContact CD2-CD1 3.74Å; L188-I206 HydrophobicContact CD2-CG1 3.88Å
189	P	91.6	Very high	91.5	Very high	26 Å²	26	68.4 Å²	68.4	17%	0.169	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-69.6	155.9	172.1	30.2	-33.9	0	0	0	110.6	Q131 I134 T191 T192	Q131-P189 HydrophobicContact CG-CB 4.46Å; Q131-P189 HydrophobicContact CG-CG 4.43Å; I134-P189 HydrophobicContact CD1-CG 3.9Å; P189-T191 PolarHBondContact O-N 3.01Å; P189-T191 VanDerWaalsContact O-N 3.08Å; P189-T192 HydrophobicContact CG-CG2 3.92Å; P189-T192 WeakPolarHBondContact O-CG2 3.46Å; P189-T192 PolarHBondContact O-N 3.22Å
190	T	87.1	Confident	92	Very high	133 Å²	133	64.3 Å²	64.3	82%	0.816	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-7.9	175.7	53.6	0	0	0	0	113.5	T192	T190-T192 VanDerWaalsContact C-N 3.3Å
191	T	89.6	Confident	92.4	Very high	49 Å²	49	60.3 Å²	60.3	30%	0.301	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	16.7	178	58.3	0	0	0	0	113.1	Q138 P189 R235	Q138-T191 PolarHBondContact NE2-O 3.27Å; P189-T191 PolarHBondContact O-N 3.01Å; P189-T191 VanDerWaalsContact O-N 3.08Å; T191-R235 VanDerWaalsContact O-CD 3.28Å; T191-R235 WeakPolarHBondContact O-CD 3.34Å
192	T	93.8	Very high	92.8	Very high	12 Å²	12	62.1 Å²	62.1	7%	0.074	35%	0.348	C	S	.	.			trans	-141.9	151.1	172	-170.1	0	0	0	0	111.9	I134 L188 P189 T190 I194 E239	I134-T192 HydrophobicContact CD1-CG2 4.34Å; I134-T192 HydrophobicContact CG2-CG2 4.45Å; L188-T192 HydrophobicContact CB-CG2 4.13Å; P189-T192 HydrophobicContact CG-CG2 3.92Å; P189-T192 WeakPolarHBondContact O-CG2 3.46Å; P189-T192 PolarHBondContact O-N 3.22Å; T190-T192 VanDerWaalsContact C-N 3.3Å; T192-I194 HydrophobicContact CG2-CD1 4.39Å; T192-I194 HydrophobicContact CG2-CG1 3.97Å; T192-I194 WeakPolarHBondContact OG1-CG1 3.11Å; T192-I194 PolarHBondContact OG1-N 2.98Å; T192-E239 WeakPolarHBondContact CA-OE2 3.43Å; T192-E239 VanDerWaalsContact OG1-CD 3.3Å; T192-E239 PolarHBondContact OG1-OE1 3.14Å; T192-E239 PolarHBondContact OG1-OE2 3.4Å
193	F	95.3	Very high	93	Very high	59 Å²	59	60 Å²	60	26%	0.259	34%	0.338	S	S	.	.			trans	-115.8	7.7	177.7	-60.1	-91.7	0	0	0	112.7	G195 G196 Q232 R235 Q236 E239	F193-G195 PolarHBondContact O-N 3.13Å; F193-G196 PolarHBondContact O-N 2.68Å; F193-Q232 WeakPolarHBondContact CE2-O 3.45Å; F193-R235 HydrophobicContact CD2-CB 3.66Å; F193-R235 HydrophobicContact CE2-CB 3.91Å; F193-Q236 HydrophobicContact CD1-CB 4.39Å; F193-Q236 HydrophobicContact CD1-CG 4.31Å; F193-Q236 HydrophobicContact CD2-CB 4.17Å; F193-Q236 HydrophobicContact CE1-CB 4.37Å; F193-Q236 HydrophobicContact CE1-CG 4.4Å; F193-Q236 HydrophobicContact CE2-CB 4.14Å; F193-Q236 HydrophobicContact CG-CB 4.28Å; F193-Q236 HydrophobicContact CZ-CB 4.25Å; F193-E239 HydrophobicContact CB-CB 4.09Å; F193-E239 PolarHBondContact N-OE2 3.46Å
194	I	95.1	Very high	93.1	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-25.3	177	63.5	178.5	0	0	0	112.8	L188 T192 G196 I206 R209 L210 E239 P241	L188-I194 HydrophobicContact CD1-CG1 4.12Å; L188-I194 HydrophobicContact CD2-CD1 4.02Å; L188-I194 HydrophobicContact CD2-CG1 4.17Å; T192-I194 HydrophobicContact CG2-CD1 4.39Å; T192-I194 HydrophobicContact CG2-CG1 3.97Å; T192-I194 WeakPolarHBondContact OG1-CG1 3.11Å; T192-I194 PolarHBondContact OG1-N 2.98Å; I194-G196 VanDerWaalsContact C-N 3.32Å; I194-G196 PolarHBondContact O-N 2.74Å; I194-I206 HydrophobicContact CD1-CB 4.34Å; I194-I206 HydrophobicContact CD1-CG1 4.39Å; I194-I206 HydrophobicContact CD1-CG2 3.82Å; I194-R209 HydrophobicContact CB-CB 3.97Å; I194-R209 HydrophobicContact CG2-CB 4.24Å; I194-R209 WeakPolarHBondContact O-CD 3.02Å; I194-R209 PolarHBondContact O-NH1 3.18Å; I194-L210 HydrophobicContact CD1-CD2 4.24Å; I194-L210 HydrophobicContact CD1-CG 4.17Å; I194-L210 HydrophobicContact CG2-CD2 3.99Å; I194-L210 HydrophobicContact CG2-CG 4.5Å; I194-E239 WeakPolarHBondContact CA-O 3.31Å; I194-E239 HydrophobicContact CG2-CB 3.8Å; I194-E239 HydrophobicContact CG2-CG 4.09Å; I194-P241 WeakPolarHBondContact O-CG 3.36Å
195	G	91.8	Very high	93.2	Very high	3 Å²	3	57.3 Å²	57.3	3%	0.031	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-22.4	176.3	0	0	0	0	0	114.4	F193 S197 E198 R209	F193-G195 PolarHBondContact O-N 3.13Å; G195-S197 PolarHBondContact O-N 3.29Å; G195-S197 VanDerWaalsContact O-N 3.07Å; G195-E198 WeakPolarHBondContact CA-O 3.41Å; G195-E198 WeakPolarHBondContact O-CB 3.31Å; G195-E198 PolarHBondContact O-N 3.1Å; G195-R209 PolarHBondContact O-NH1 3.08Å
196	G	91.1	Very high	93.2	Very high	49 Å²	49	52.9 Å²	52.9	51%	0.505	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.6	-112	-165.8	0	0	0	0	0	110.3	F193 I194	F193-G196 PolarHBondContact O-N 2.68Å; I194-G196 VanDerWaalsContact C-N 3.32Å; I194-G196 PolarHBondContact O-N 2.74Å
197	S	89.2	Confident	93.2	Very high	120 Å²	120	53.5 Å²	53.5	84%	0.839	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-12	173.9	54.9	0	0	0	0	114.4	G195	G195-S197 PolarHBondContact O-N 3.29Å; G195-S197 VanDerWaalsContact O-N 3.07Å
198	E	93.1	Very high	93.1	Very high	92 Å²	92	49.5 Å²	49.5	43%	0.43	29%	0.286	S	S	.	.			trans	-84.4	135.8	-178.3	-56.5	175.9	92.2	0	0	110.8	G195 L201 R209	G195-E198 WeakPolarHBondContact CA-O 3.41Å; G195-E198 WeakPolarHBondContact O-CB 3.31Å; G195-E198 PolarHBondContact O-N 3.1Å; E198-L201 HydrophobicContact CB-CD2 4.24Å; E198-R209 IonicContact OE2-CZ 2.83Å; E198-R209 IonicContact OE2-NH1 3.69Å; E198-R209 PolarHBondContact OE2-NH1 3.44Å; E198-R209 VanDerWaalsContact OE2-NH1 3.13Å; E198-R209 IonicContact OE2-NH2 3.69Å; E198-R209 PolarHBondContact OE2-NH2 3.38Å
199	T	92.6	Very high	93.2	Very high	111 Å²	111	50.2 Å²	50.2	68%	0.681	29%	0.287	S	S	*	.	S	Bend	trans	-96.7	-8.8	-178.9	56	0	0	0	0	113.7	L188	L188-T199 PolarHBondContact N-O 3.13Å
200	A	95.4	Very high	93.3	Very high	36 Å²	36	49 Å²	49	30%	0.298	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	147.1	178.4	0	0	0	0	0	110.2	V185 F186	V185-A200 HydrophobicContact CG1-CB 3.8Å; F186-A200 CarbonylContact O-C 3.55Å; F186-A200 WeakPolarHBondContact O-CA 3.31Å; F186-A200 WeakPolarHBondContact O-CB 3.16Å
201	L	96	Very high	93.5	Very high	3 Å²	3	45.8 Å²	45.8	2%	0.016	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	152.3	-178	-71	176.9	0	0	0	111.1	V185 F186 L188 E198 E205 I206	V185-L201 WeakPolarHBondContact CA-O 3.43Å; F186-L201 PolarHBondContact N-O 2.81Å; F186-L201 PolarHBondContact O-N 2.84Å; L188-L201 HydrophobicContact CD1-CD1 3.91Å; L188-L201 HydrophobicContact CD1-CG 4.08Å; L188-L201 HydrophobicContact CD2-CD1 4.41Å; E198-L201 HydrophobicContact CB-CD2 4.24Å; L201-E205 HydrophobicContact CD1-CG 4.29Å; L201-E205 HydrophobicContact CD2-CG 4.12Å; L201-I206 HydrophobicContact CB-CD1 4.26Å; L201-I206 HydrophobicContact CB-CG1 3.69Å; L201-I206 HydrophobicContact CD1-CG1 4.34Å
202	P	96.3	Very high	93.6	Very high	43 Å²	43	48.2 Å²	48.2	28%	0.279	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	143.2	164.5	-21.4	32.6	0	0	0	111.4	K184 V185 K204 E205 I206	K184-P202 CarbonylContact O-C 3.6Å; K184-P202 VanDerWaalsContact O-CA 3.29Å; K184-P202 WeakPolarHBondContact O-CA 3.34Å; V185-P202 HydrophobicContact CG2-CG 4.3Å; P202-K204 PolarHBondContact O-N 3.37Å; P202-E205 HydrophobicContact CB-CB 4.43Å; P202-E205 WeakPolarHBondContact O-CA 3.47Å; P202-E205 WeakPolarHBondContact O-CB 3.39Å; P202-E205 PolarHBondContact O-N 3.14Å; P202-I206 PolarHBondContact O-N 3.23Å
203	L	94.1	Very high	93.5	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-53.4	-41.3	179.3	175.1	59.6	0	0	0	112.7	V130 L133 L172 L177 D181 L182 K184 F186 E205 I206 I207	V130-L203 HydrophobicContact CG2-CD1 3.89Å; L133-L203 HydrophobicContact CD2-CD1 3.91Å; L172-L203 HydrophobicContact CD2-CD2 4.24Å; L177-L203 HydrophobicContact CD1-CD2 4.04Å; D181-L203 HydrophobicContact CB-CD2 3.97Å; L182-L203 HydrophobicContact CD2-CD2 4.45Å; L182-L203 HydrophobicContact CD2-CG 4.4Å; L182-L203 PolarHBondContact O-N 3.07Å; K184-L203 PolarHBondContact O-N 2.91Å; F186-L203 HydrophobicContact CD2-CB 3.91Å; F186-L203 HydrophobicContact CE2-CB 3.76Å; F186-L203 HydrophobicContact CE2-CD2 4.39Å; L203-E205 VanDerWaalsContact C-N 3.26Å; L203-E205 PolarHBondContact O-N 2.92Å; L203-I206 WeakPolarHBondContact O-CB 3.44Å; L203-I206 PolarHBondContact O-N 3.13Å; L203-I206 VanDerWaalsContact O-N 3.17Å; L203-I207 HydrophobicContact CD1-CD1 4.05Å; L203-I207 HydrophobicContact CD1-CG1 4.18Å; L203-I207 HydrophobicContact CG-CD1 4.01Å; L203-I207 WeakPolarHBondContact O-CG1 3.44Å; L203-I207 PolarHBondContact O-N 3.36Å
204	K	94.1	Very high	93.5	Very high	118 Å²	118	45.3 Å²	45.3	51%	0.513	25%	0.252	S	S	.	.	H	α-helix	trans	-56	-41.4	174.9	-176.6	178.2	-179.9	178.1	0	112.7	L182 E183 P202 R208	L182-K204 HydrophobicContact CB-CB 4.21Å; L182-K204 HydrophobicContact CD2-CB 4.33Å; L182-K204 WeakPolarHBondContact O-CB 3.2Å; L182-K204 PolarHBondContact O-N 2.86Å; E183-K204 IonicContact OE1-NZ 2.86Å; P202-K204 PolarHBondContact O-N 3.37Å; K204-R208 WeakPolarHBondContact O-CB 3.38Å; K204-R208 PolarHBondContact O-N 2.91Å
205	E	94.8	Very high	93.3	Very high	43 Å²	43	45.8 Å²	45.8	20%	0.201	26%	0.255	C	S	.	.	H	α-helix	trans	-74.9	-34.9	179.1	-175.6	59.6	-168.2	0	0	111.5	L201 P202 L203 R208 R209	L201-E205 HydrophobicContact CD1-CG 4.29Å; L201-E205 HydrophobicContact CD2-CG 4.12Å; P202-E205 HydrophobicContact CB-CB 4.43Å; P202-E205 WeakPolarHBondContact O-CA 3.47Å; P202-E205 WeakPolarHBondContact O-CB 3.39Å; P202-E205 PolarHBondContact O-N 3.14Å; L203-E205 VanDerWaalsContact C-N 3.26Å; L203-E205 PolarHBondContact O-N 2.92Å; E205-R208 PolarHBondContact O-N 3.18Å; E205-R208 IonicContact OE1-CZ 3.82Å; E205-R208 IonicContact OE1-NE 3.2Å; E205-R208 PolarHBondContact OE1-NE 2.98Å; E205-R208 IonicContact OE1-NH2 2.96Å; E205-R208 PolarHBondContact OE1-NH2 3.25Å; E205-R208 IonicContact OE2-CZ 2.62Å; E205-R208 IonicContact OE2-NE 3.98Å; E205-R208 PolarHBondContact OE2-NE 3.37Å; E205-R208 IonicContact OE2-NH2 3.5Å; E205-R209 HydrophobicContact CG-CG 4.43Å; E205-R209 WeakPolarHBondContact O-CB 3.37Å; E205-R209 WeakPolarHBondContact O-CG 3.42Å; E205-R209 PolarHBondContact O-N 2.85Å; E205-R209 IonicContact OE1-CZ 3.05Å; E205-R209 IonicContact OE1-NE 3.11Å; E205-R209 PolarHBondContact OE1-NE 3.31Å; E205-R209 IonicContact OE1-NH2 3.54Å; E205-R209 PolarHBondContact OE1-NH2 2.62Å
206	I	95.1	Very high	93.4	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-57.7	-53.6	171.8	-66.5	175.2	0	0	0	110	V130 I134 F186 L188 I194 L201 P202 L203 R208 R209 L210	V130-I206 HydrophobicContact CG1-CD1 3.83Å; V130-I206 HydrophobicContact CG1-CG2 4.46Å; I134-I206 HydrophobicContact CD1-CG2 4.29Å; I134-I206 HydrophobicContact CG1-CG2 3.99Å; F186-I206 HydrophobicContact CB-CD1 3.95Å; L188-I206 HydrophobicContact CD2-CD1 3.74Å; L188-I206 HydrophobicContact CD2-CG1 3.88Å; I194-I206 HydrophobicContact CD1-CB 4.34Å; I194-I206 HydrophobicContact CD1-CG1 4.39Å; I194-I206 HydrophobicContact CD1-CG2 3.82Å; L201-I206 HydrophobicContact CB-CD1 4.26Å; L201-I206 HydrophobicContact CB-CG1 3.69Å; L201-I206 HydrophobicContact CD1-CG1 4.34Å; P202-I206 PolarHBondContact O-N 3.23Å; L203-I206 WeakPolarHBondContact O-CB 3.44Å; L203-I206 PolarHBondContact O-N 3.13Å; L203-I206 VanDerWaalsContact O-N 3.17Å; I206-R208 PolarHBondContact O-N 3.33Å; I206-R209 PolarHBondContact O-N 3.09Å; I206-L210 HydrophobicContact CG2-CD1 3.8Å; I206-L210 HydrophobicContact CG2-CG 4.43Å; I206-L210 VanDerWaalsContact O-CG 3.27Å; I206-L210 WeakPolarHBondContact O-CG 3.35Å; I206-L210 PolarHBondContact O-N 3.2Å
207	I	93.1	Very high	93.6	Very high	14 Å²	14	50 Å²	50	7%	0.072	26%	0.261	C	S	.	.	H	α-helix	trans	-58	-49.9	178.9	-66.6	167.8	0	0	0	110	L133 L172 L182 L203 R209 L210 E211	L133-I207 HydrophobicContact CD2-CD1 4.43Å; L133-I207 HydrophobicContact CD2-CG1 4.03Å; L172-I207 HydrophobicContact CD2-CD1 4.13Å; L182-I207 HydrophobicContact CD2-CD1 4.15Å; L203-I207 HydrophobicContact CD1-CD1 4.05Å; L203-I207 HydrophobicContact CD1-CG1 4.18Å; L203-I207 HydrophobicContact CG-CD1 4.01Å; L203-I207 WeakPolarHBondContact O-CG1 3.44Å; L203-I207 PolarHBondContact O-N 3.36Å; I207-R209 VanDerWaalsContact C-N 3.33Å; I207-R209 PolarHBondContact O-N 3.36Å; I207-L210 PolarHBondContact O-N 2.84Å; I207-E211 HydrophobicContact CG2-CG 4.25Å; I207-E211 WeakPolarHBondContact O-CB 3.37Å; I207-E211 WeakPolarHBondContact O-CG 3.37Å; I207-E211 PolarHBondContact O-N 3.28Å
208	R	93.3	Very high	94	Very high	108 Å²	108	45.1 Å²	45.1	41%	0.408	23%	0.225	S	C	.	.	H	α-helix	trans	-57.3	-42.8	179.9	-167.2	-166.4	73.4	74.9	6.3	112.8	K204 E205 I206 M212	K204-R208 WeakPolarHBondContact O-CB 3.38Å; K204-R208 PolarHBondContact O-N 2.91Å; E205-R208 PolarHBondContact O-N 3.18Å; E205-R208 IonicContact OE1-CZ 3.82Å; E205-R208 IonicContact OE1-NE 3.2Å; E205-R208 PolarHBondContact OE1-NE 2.98Å; E205-R208 IonicContact OE1-NH2 2.96Å; E205-R208 PolarHBondContact OE1-NH2 3.25Å; E205-R208 IonicContact OE2-CZ 2.62Å; E205-R208 IonicContact OE2-NE 3.98Å; E205-R208 PolarHBondContact OE2-NE 3.37Å; E205-R208 IonicContact OE2-NH2 3.5Å; I206-R208 PolarHBondContact O-N 3.33Å; R208-M212 PolarHBondContact NH1-SD 3.16Å; R208-M212 WeakPolarHBondContact O-CB 3.28Å; R208-M212 WeakPolarHBondContact O-CG 3.46Å; R208-M212 PolarHBondContact O-N 3.43Å
209	R	94.5	Very high	94.1	Very high	35 Å²	35	40.7 Å²	40.7	13%	0.132	20%	0.204	C	C	.	.	H	α-helix	trans	-72.2	-35.7	179.5	-68.8	-170.7	-168.2	-176.3	8.1	112.2	I194 G195 E198 E205 I206 I207 M212 A213	I194-R209 HydrophobicContact CB-CB 3.97Å; I194-R209 HydrophobicContact CG2-CB 4.24Å; I194-R209 WeakPolarHBondContact O-CD 3.02Å; I194-R209 PolarHBondContact O-NH1 3.18Å; G195-R209 PolarHBondContact O-NH1 3.08Å; E198-R209 IonicContact OE2-CZ 2.83Å; E198-R209 IonicContact OE2-NH1 3.69Å; E198-R209 PolarHBondContact OE2-NH1 3.44Å; E198-R209 VanDerWaalsContact OE2-NH1 3.13Å; E198-R209 IonicContact OE2-NH2 3.69Å; E198-R209 PolarHBondContact OE2-NH2 3.38Å; E205-R209 HydrophobicContact CG-CG 4.43Å; E205-R209 WeakPolarHBondContact O-CB 3.37Å; E205-R209 WeakPolarHBondContact O-CG 3.42Å; E205-R209 PolarHBondContact O-N 2.85Å; E205-R209 IonicContact OE1-CZ 3.05Å; E205-R209 IonicContact OE1-NE 3.11Å; E205-R209 PolarHBondContact OE1-NE 3.31Å; E205-R209 IonicContact OE1-NH2 3.54Å; E205-R209 PolarHBondContact OE1-NH2 2.62Å; I206-R209 PolarHBondContact O-N 3.09Å; I207-R209 VanDerWaalsContact C-N 3.33Å; I207-R209 PolarHBondContact O-N 3.36Å; R209-M212 WeakPolarHBondContact O-CB 3.17Å; R209-M212 PolarHBondContact O-N 3.02Å; R209-A213 WeakPolarHBondContact O-CB 3.41Å; R209-A213 PolarHBondContact O-N 3.35Å
210	L	93.8	Very high	94.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-66.2	-42.9	172.8	-68.9	168.8	0	0	0	111.8	I134 Y137 I194 I206 I207 M212 A213 Y214	I134-L210 HydrophobicContact CB-CD1 4.41Å; I134-L210 HydrophobicContact CG1-CD1 3.91Å; I134-L210 HydrophobicContact CG1-CD2 4.48Å; I134-L210 HydrophobicContact CG2-CD2 4.24Å; Y137-L210 HydrophobicContact CD1-CB 3.71Å; Y137-L210 HydrophobicContact CD2-CB 4.25Å; Y137-L210 HydrophobicContact CD2-CD1 3.89Å; Y137-L210 HydrophobicContact CE1-CB 4.18Å; Y137-L210 HydrophobicContact CE2-CD1 4.44Å; Y137-L210 HydrophobicContact CG-CB 3.75Å; Y137-L210 HydrophobicContact CG-CD1 4.09Å; Y137-L210 HydrophobicContact CG-CG 4.38Å; I194-L210 HydrophobicContact CD1-CD2 4.24Å; I194-L210 HydrophobicContact CD1-CG 4.17Å; I194-L210 HydrophobicContact CG2-CD2 3.99Å; I194-L210 HydrophobicContact CG2-CG 4.5Å; I206-L210 HydrophobicContact CG2-CD1 3.8Å; I206-L210 HydrophobicContact CG2-CG 4.43Å; I206-L210 VanDerWaalsContact O-CG 3.27Å; I206-L210 WeakPolarHBondContact O-CG 3.35Å; I206-L210 PolarHBondContact O-N 3.2Å; I207-L210 PolarHBondContact O-N 2.84Å; L210-M212 VanDerWaalsContact C-N 3.32Å; L210-M212 PolarHBondContact O-N 2.99Å; L210-A213 PolarHBondContact O-N 3.32Å; L210-Y214 HydrophobicContact CD2-CD2 4.33Å; L210-Y214 HydrophobicContact CD2-CE2 4.24Å; L210-Y214 PolarHBondContact O-N 2.93Å
211	E	91.7	Very high	94.4	Very high	66 Å²	66	34.1 Å²	34.1	31%	0.308	16%	0.16	S	C	.	.	H	α-helix	trans	-60.5	-42.7	174	-75	176.5	165.3	0	0	111.2	Y137 I207 A213 C215 Q216	Y137-E211 HydrophobicContact CE1-CG 3.83Å; I207-E211 HydrophobicContact CG2-CG 4.25Å; I207-E211 WeakPolarHBondContact O-CB 3.37Å; I207-E211 WeakPolarHBondContact O-CG 3.37Å; I207-E211 PolarHBondContact O-N 3.28Å; E211-A213 VanDerWaalsContact C-N 3.35Å; E211-A213 PolarHBondContact O-N 2.89Å; E211-C215 HydrophobicContact CB-CB 4.46Å; E211-C215 CarbonylContact O-C 3.54Å; E211-C215 WeakPolarHBondContact O-CA 3.47Å; E211-C215 WeakPolarHBondContact O-CB 3.29Å; E211-C215 PolarHBondContact O-N 3.47Å; E211-Q216 WeakPolarHBondContact O-CG 3.36Å; E211-Q216 PolarHBondContact O-N 3.45Å
212	M	91.6	Very high	94.4	Very high	101 Å²	101	34 Å²	34	50%	0.498	16%	0.159	S	C	.	.	H	α-helix	trans	-60.1	-41.7	174	-84.7	-174.8	47.5	0	0	113.3	R208 R209 L210	R208-M212 PolarHBondContact NH1-SD 3.16Å; R208-M212 WeakPolarHBondContact O-CB 3.28Å; R208-M212 WeakPolarHBondContact O-CG 3.46Å; R208-M212 PolarHBondContact O-N 3.43Å; R209-M212 WeakPolarHBondContact O-CB 3.17Å; R209-M212 PolarHBondContact O-N 3.02Å; L210-M212 VanDerWaalsContact C-N 3.32Å; L210-M212 PolarHBondContact O-N 2.99Å
213	A	92.8	Very high	94.4	Very high	10 Å²	10	34.4 Å²	34.4	8%	0.083	16%	0.158	C	C	.	.	H	α-helix	trans	-77.5	-36.1	-175.3	0	0	0	0	0	113.1	R209 L210 E211 F238 E239	R209-A213 WeakPolarHBondContact O-CB 3.41Å; R209-A213 PolarHBondContact O-N 3.35Å; L210-A213 PolarHBondContact O-N 3.32Å; E211-A213 VanDerWaalsContact C-N 3.35Å; E211-A213 PolarHBondContact O-N 2.89Å; A213-F238 WeakPolarHBondContact CB-O 3.41Å; A213-E239 HydrophobicContact CB-CG 4.44Å
214	Y	93.9	Very high	94.4	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-122.9	-13.3	-166.5	-64	-64.9	0	0	0	115.6	Q138 G141 L210 I218 V220 F222 E239	Q138-Y214 HydrophobicContact CG-CE2 3.9Å; G141-Y214 CarbonylContact C-O 3.57Å; G141-Y214 VanDerWaalsContact O-O 3.08Å; L210-Y214 HydrophobicContact CD2-CD2 4.33Å; L210-Y214 HydrophobicContact CD2-CE2 4.24Å; L210-Y214 PolarHBondContact O-N 2.93Å; Y214-I218 CarbonylContact C-O 3.57Å; Y214-V220 HydrophobicContact CD1-CB 4.18Å; Y214-V220 HydrophobicContact CD1-CG2 4.34Å; Y214-V220 HydrophobicContact CE1-CB 4.18Å; Y214-V220 HydrophobicContact CE1-CG2 4.45Å; Y214-F222 AromaticContact CE1-CE1 3.98Å; Y214-F222 HydrophobicContact CE1-CE1 3.98Å; Y214-E239 HydrophobicContact CE2-CG 3.81Å; Y214-E239 WeakPolarHBondContact CE2-OE1 3.22Å; Y214-E239 VanDerWaalsContact OH-CD 3.29Å; Y214-E239 WeakPolarHBondContact OH-CG 3.09Å; Y214-E239 PolarHBondContact OH-OE1 3.29Å
215	C	92.3	Very high	94.5	Very high	10 Å²	10	31.5 Å²	31.5	7%	0.068	15%	0.146	C	C	.	.	S	Bend	trans	-125.9	2.6	-168.8	-50.3	0	0	0	0	114.5	Y137 V144 A145 Q146 E211	Y137-C215 VanDerWaalsContact CD1-SG 3.56Å; Y137-C215 VanDerWaalsContact CE1-SG 3.52Å; V144-C215 HydrophobicContact CG2-CB 4.04Å; V144-C215 VanDerWaalsContact CG2-SG 3.57Å; A145-C215 WeakPolarHBondContact CA-O 3.45Å; Q146-C215 PolarHBondContact N-O 3.36Å; E211-C215 HydrophobicContact CB-CB 4.46Å; E211-C215 CarbonylContact O-C 3.54Å; E211-C215 WeakPolarHBondContact O-CA 3.47Å; E211-C215 WeakPolarHBondContact O-CB 3.29Å; E211-C215 PolarHBondContact O-N 3.47Å
216	Q	92.6	Very high	94.4	Very high	77 Å²	77	36.3 Å²	36.3	36%	0.36	17%	0.173	S	C	.	.	S	Bend	trans	-87.9	-141.5	175.3	-59.3	-57.4	-49.7	0	0	110.4	A145 Q146 E211 I218	A145-Q216 CarbonylContact C-O 3.53Å; Q146-Q216 PolarHBondContact N-O 3.34Å; E211-Q216 WeakPolarHBondContact O-CG 3.36Å; E211-Q216 PolarHBondContact O-N 3.45Å; Q216-I218 PolarHBondContact O-N 3.32Å; Q216-I218 VanDerWaalsContact O-N 3.11Å
217	H	95.8	Very high	94.5	Very high	63 Å²	63	39.1 Å²	39.1	29%	0.292	19%	0.188	S	C	.	.	S	Bend	trans	-71.5	3.2	178.3	-61.9	163	0	0	0	114.6	Q146 V475 N476 D479 A482	Q146-H217 PolarHBondContact O-CD2 2.89Å; H217-V475 WeakPolarHBondContact O-CA 3.37Å; H217-N476 HydrophobicContact CB-CB 3.96Å; H217-N476 PolarHBondContact O-N 3.03Å; H217-D479 HydrophobicContact CB-CB 4.2Å; H217-D479 IonicContact CE1-OD2 3.76Å; H217-D479 IonicContact CG-OD2 3.69Å; H217-D479 WeakPolarHBondContact ND1-CB 3.2Å; H217-D479 IonicContact ND1-OD2 3.33Å; H217-D479 PolarHBondContact ND1-OD2 2.98Å; H217-A482 HydrophobicContact CB-CB 4.24Å
218	I	96.9	Very high	94.5	Very high	17 Å²	17	43.6 Å²	43.6	9%	0.087	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	129.7	177.6	-58.3	172	0	0	0	108.5	Y214 Q216 V220 F238 M244 H474 V475 A482 Y485 V486	Y214-I218 CarbonylContact C-O 3.57Å; Q216-I218 PolarHBondContact O-N 3.32Å; Q216-I218 VanDerWaalsContact O-N 3.11Å; I218-V220 HydrophobicContact CG2-CG2 3.9Å; I218-F238 HydrophobicContact CG2-CD1 4.18Å; I218-F238 HydrophobicContact CG2-CE1 3.86Å; I218-M244 HydrophobicContact CD1-CE 4.43Å; I218-M244 HydrophobicContact CD1-SD 3.98Å; I218-H474 WeakPolarHBondContact CA-O 3.45Å; I218-V475 HydrophobicContact CG1-CG2 4.24Å; I218-A482 HydrophobicContact CD1-CB 4.06Å; I218-A482 HydrophobicContact CG1-CB 3.89Å; I218-Y485 HydrophobicContact CD1-CD1 4.25Å; I218-V486 HydrophobicContact CD1-CG2 3.81Å; I218-V486 HydrophobicContact CG1-CG2 3.92Å; I218-V486 HydrophobicContact CG2-CG2 3.84Å
219	G	95.8	Very high	94.7	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	135	169.4	0	0	0	0	0	109.3	H474	G219-H474 PolarHBondContact N-O 3.04Å; G219-H474 PolarHBondContact O-N 3.29Å
220	V	97.2	Very high	94.8	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.006	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	117.8	-172.7	-170.6	0	0	0	0	109.5	Y214 I218 F222 I234 F238 F473	Y214-V220 HydrophobicContact CD1-CB 4.18Å; Y214-V220 HydrophobicContact CD1-CG2 4.34Å; Y214-V220 HydrophobicContact CE1-CB 4.18Å; Y214-V220 HydrophobicContact CE1-CG2 4.45Å; I218-V220 HydrophobicContact CG2-CG2 3.9Å; V220-F222 HydrophobicContact CB-CD1 4.44Å; V220-F222 HydrophobicContact CG1-CD1 3.68Å; V220-F222 HydrophobicContact CG1-CE1 4.29Å; V220-F222 HydrophobicContact CG1-CG 4.47Å; V220-I234 HydrophobicContact CG1-CG2 3.69Å; V220-F238 HydrophobicContact CG1-CD2 4.05Å; V220-F238 HydrophobicContact CG1-CE2 4.12Å; V220-F238 HydrophobicContact CG2-CB 4.36Å; V220-F238 HydrophobicContact CG2-CD1 3.77Å; V220-F238 HydrophobicContact CG2-CD2 4.04Å; V220-F238 HydrophobicContact CG2-CE1 4.01Å; V220-F238 HydrophobicContact CG2-CE2 4.26Å; V220-F238 HydrophobicContact CG2-CG 3.79Å; V220-F238 HydrophobicContact CG2-CZ 4.25Å; V220-F473 HydrophobicContact CG1-CD1 3.83Å; V220-F473 HydrophobicContact CG1-CE1 3.81Å
221	E	96.6	Very high	95	Very high	7 Å²	7	44 Å²	44	3%	0.033	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	115.1	171.7	-50.9	-166.2	-78.9	0	0	110.5	H142 F224 Y460 R466 I472 H474	H142-E221 HydrophobicContact CB-CG 4.33Å; H142-E221 IonicContact CE1-OE2 3.65Å; H142-E221 PolarHBondContact CE1-OE2 3.25Å; H142-E221 IonicContact ND1-OE2 2.84Å; H142-E221 IonicContact NE2-OE2 3.38Å; H142-E221 PolarHBondContact NE2-OE2 3.45Å; E221-F224 HydrophobicContact CB-CE1 3.8Å; E221-Y460 WeakPolarHBondContact OE1-CD2 3.47Å; E221-R466 IonicContact OE1-NH2 3.46Å; E221-R466 PolarHBondContact OE1-NH2 2.75Å; E221-R466 IonicContact OE2-CZ 2.81Å; E221-R466 IonicContact OE2-NH1 2.77Å; E221-R466 IonicContact OE2-NH2 2.76Å; E221-R466 PolarHBondContact OE2-NH2 2.97Å; E221-I472 HydrophobicContact CB-CB 4.2Å; E221-I472 PolarHBondContact N-O 2.9Å; E221-I472 PolarHBondContact O-N 2.75Å; E221-H474 WeakPolarHBondContact CG-NE2 3.4Å; E221-H474 IonicContact OE1-CE1 2.63Å; E221-H474 IonicContact OE1-NE2 2.63Å; E221-H474 PolarHBondContact OE1-NE2 3.42Å; E221-H474 VanDerWaalsContact OE1-NE2 3.07Å
222	F	96.9	Very high	95.2	Very high	1 Å²	1	44.4 Å²	44.4	0%	0.004	22%	0.222	C	C	.	.			trans	-151.9	-13.6	-177.8	72.4	-77.3	0	0	0	114.2	Q138 Y214 V220 F224 I225 C231 I234 R235	Q138-F222 HydrophobicContact CB-CZ 4.39Å; Y214-F222 AromaticContact CE1-CE1 3.98Å; Y214-F222 HydrophobicContact CE1-CE1 3.98Å; V220-F222 HydrophobicContact CB-CD1 4.44Å; V220-F222 HydrophobicContact CG1-CD1 3.68Å; V220-F222 HydrophobicContact CG1-CE1 4.29Å; V220-F222 HydrophobicContact CG1-CG 4.47Å; F222-F224 PolarHBondContact O-N 3.34Å; F222-F224 VanDerWaalsContact O-N 3.08Å; F222-I225 HydrophobicContact CB-CD1 4.04Å; F222-I225 WeakPolarHBondContact O-CB 3.48Å; F222-I225 WeakPolarHBondContact O-CG1 3.46Å; F222-I225 PolarHBondContact O-N 2.97Å; F222-C231 HydrophobicContact CD2-CB 4.09Å; F222-C231 HydrophobicContact CE2-CB 4.09Å; F222-I234 HydrophobicContact CB-CD1 3.5Å; F222-I234 VanDerWaalsContact CB-CD1 3.5Å; F222-I234 HydrophobicContact CB-CG2 4.07Å; F222-I234 HydrophobicContact CD1-CG2 3.85Å; F222-I234 HydrophobicContact CD2-CB 4.07Å; F222-I234 HydrophobicContact CD2-CD1 4.23Å; F222-I234 HydrophobicContact CD2-CG2 3.98Å; F222-I234 HydrophobicContact CE1-CG2 4.28Å; F222-I234 HydrophobicContact CE2-CB 4.49Å; F222-I234 HydrophobicContact CE2-CG2 4.38Å; F222-I234 HydrophobicContact CG-CB 4.22Å; F222-I234 HydrophobicContact CG-CD1 4.08Å; F222-I234 HydrophobicContact CG-CG2 3.68Å; F222-R235 HydrophobicContact CE2-CG 3.77Å; F222-R235 HydrophobicContact CZ-CG 3.62Å
223	M	95.4	Very high	95.5	Very high	51 Å²	51	41.1 Å²	41.1	25%	0.251	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-7.7	-174.3	-70.2	-66.8	-66.4	0	0	114	Q138 I139 I225 R235	Q138-M223 HydrophobicContact CB-CG 4.27Å; Q138-M223 HydrophobicContact CB-SD 4.21Å; Q138-M223 VanDerWaalsContact O-CG 3.25Å; Q138-M223 WeakPolarHBondContact O-CG 3.41Å; I139-M223 HydrophobicContact CD1-CE 4.42Å; I139-M223 HydrophobicContact CG1-CB 3.97Å; I139-M223 HydrophobicContact CG1-CE 3.93Å; I139-M223 HydrophobicContact CG1-CG 3.84Å; M223-I225 VanDerWaalsContact C-N 3.32Å; M223-R235 PolarHBondContact SD-NH2 3.35Å
224	F	95	Very high	95.8	Very high	49 Å²	49	40.7 Å²	40.7	22%	0.215	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-12.1	168.5	57.6	-103.7	0	0	0	113.2	E221 F222 N226 R466 N469 A470 I472	E221-F224 HydrophobicContact CB-CE1 3.8Å; F222-F224 PolarHBondContact O-N 3.34Å; F222-F224 VanDerWaalsContact O-N 3.08Å; F224-N226 PolarHBondContact O-N 3.47Å; F224-R466 HydrophobicContact CD1-CG 4.35Å; F224-R466 HydrophobicContact CE1-CG 4.06Å; F224-R466 HydrophobicContact CE2-CG 4.38Å; F224-R466 HydrophobicContact CZ-CG 4.09Å; F224-N469 PolarHBondContact O-OD1 2.8Å; F224-A470 WeakPolarHBondContact CE2-O 3.22Å; F224-A470 VanDerWaalsContact CZ-O 3.23Å; F224-A470 WeakPolarHBondContact CZ-O 3.27Å; F224-I472 HydrophobicContact CE1-CD1 4.48Å; F224-I472 HydrophobicContact CZ-CD1 4.3Å; F224-I472 HydrophobicContact CZ-CG1 4.34Å
225	I	96.1	Very high	95.9	Very high	9 Å²	9	41.4 Å²	41.4	5%	0.046	20%	0.203	C	C	.	.			trans	-70.4	126.6	178.4	-61.3	174.5	0	0	0	109.1	F222 M223 D227 Q230 C231 I234 N469 P471 W493	F222-I225 HydrophobicContact CB-CD1 4.04Å; F222-I225 WeakPolarHBondContact O-CB 3.48Å; F222-I225 WeakPolarHBondContact O-CG1 3.46Å; F222-I225 PolarHBondContact O-N 2.97Å; M223-I225 VanDerWaalsContact C-N 3.32Å; I225-D227 VanDerWaalsContact C-N 3.28Å; I225-D227 HydrophobicContact CG2-CB 4.1Å; I225-D227 PolarHBondContact O-N 3.04Å; I225-Q230 HydrophobicContact CG2-CB 4.03Å; I225-C231 PolarHBondContact O-SG 3.49Å; I225-I234 HydrophobicContact CD1-CD1 3.94Å; I225-N469 HydrophobicContact CG1-CB 4.34Å; I225-N469 WeakPolarHBondContact CG1-O 3.41Å; I225-P471 HydrophobicContact CD1-CB 3.92Å; I225-P471 HydrophobicContact CD1-CG 4.35Å; I225-W493 HydrophobicContact CD1-CH2 4.02Å
226	N	92.7	Very high	96.1	Very high	144 Å²	144	45.7 Å²	45.7	77%	0.77	22%	0.222	S	C	*	.	S	Bend	trans	-73.6	-19.6	-176.9	-63.8	-43.9	0	0	0	113.6	F224	F224-N226 PolarHBondContact O-N 3.47Å
227	D	95.9	Very high	96.3	Very high	58 Å²	58	44.5 Å²	44.5	31%	0.31	22%	0.216	S	C	.	.			trans	-87.8	121	-176.1	-174.9	-56	0	0	0	111.6	I225 E229 Q230 C231	I225-D227 VanDerWaalsContact C-N 3.28Å; I225-D227 HydrophobicContact CG2-CB 4.1Å; I225-D227 PolarHBondContact O-N 3.04Å; D227-E229 WeakPolarHBondContact OD1-CA 3.34Å; D227-E229 WeakPolarHBondContact OD1-CB 3.43Å; D227-E229 PolarHBondContact OD1-N 2.88Å; D227-Q230 HydrophobicContact CB-CB 3.95Å; D227-Q230 VanDerWaalsContact CB-CD 3.5Å; D227-Q230 HydrophobicContact CB-CG 4.06Å; D227-Q230 VanDerWaalsContact CG-NE2 3.27Å; D227-Q230 PolarHBondContact OD1-N 3.27Å; D227-Q230 PolarHBondContact OD2-NE2 3.47Å; D227-C231 PolarHBondContact O-N 3.24Å; D227-C231 VanDerWaalsContact O-N 3.1Å; D227-C231 PolarHBondContact O-SG 3.11Å
228	L	94.6	Very high	96.3	Very high	108 Å²	108	42 Å²	42	57%	0.565	20%	0.204	S	C	*	.	H	α-helix	trans	-69.4	-37.8	-177	178.9	62.7	0	0	0	112.7	C231 Q232	L228-C231 PolarHBondContact O-N 3.27Å; L228-Q232 HydrophobicContact CD1-CG 4.22Å; L228-Q232 HydrophobicContact CG-CG 4.39Å; L228-Q232 WeakPolarHBondContact O-CB 3.26Å; L228-Q232 WeakPolarHBondContact O-CG 3.48Å; L228-Q232 PolarHBondContact O-N 3.13Å
229	E	96.7	Very high	96.3	Very high	135 Å²	135	41.5 Å²	41.5	63%	0.631	20%	0.201	S	C	*	.	H	α-helix	trans	-66.5	-44.3	-179.1	-177.1	179	177.3	0	0	109.9	D227 C231 Q232 W233	D227-E229 WeakPolarHBondContact OD1-CA 3.34Å; D227-E229 WeakPolarHBondContact OD1-CB 3.43Å; D227-E229 PolarHBondContact OD1-N 2.88Å; E229-C231 PolarHBondContact O-N 3.11Å; E229-Q232 PolarHBondContact O-N 3.27Å; E229-W233 WeakPolarHBondContact O-CB 3.45Å; E229-W233 PolarHBondContact O-N 2.81Å
230	Q	97.2	Very high	96.3	Very high	10 Å²	10	43.7 Å²	43.7	5%	0.047	22%	0.215	C	C	.	.	H	α-helix	trans	-58	-46.1	172.5	-78.1	164.4	38	0	0	111.7	I225 D227 Q232 W233 I234 W493 F497 K499	I225-Q230 HydrophobicContact CG2-CB 4.03Å; D227-Q230 HydrophobicContact CB-CB 3.95Å; D227-Q230 VanDerWaalsContact CB-CD 3.5Å; D227-Q230 HydrophobicContact CB-CG 4.06Å; D227-Q230 VanDerWaalsContact CG-NE2 3.27Å; D227-Q230 PolarHBondContact OD1-N 3.27Å; D227-Q230 PolarHBondContact OD2-NE2 3.47Å; Q230-Q232 PolarHBondContact O-N 2.84Å; Q230-W233 PolarHBondContact O-N 3.27Å; Q230-I234 WeakPolarHBondContact O-CG1 3.14Å; Q230-I234 PolarHBondContact O-N 3.26Å; Q230-W493 HydrophobicContact CB-CH2 3.65Å; Q230-W493 HydrophobicContact CB-CZ3 3.84Å; Q230-W493 HydrophobicContact CG-CH2 3.57Å; Q230-W493 HydrophobicContact CG-CZ2 4.48Å; Q230-W493 HydrophobicContact CG-CZ3 3.93Å; Q230-F497 HydrophobicContact CB-CE1 4.48Å; Q230-F497 HydrophobicContact CB-CZ 4.43Å; Q230-F497 HydrophobicContact CG-CD1 3.54Å; Q230-F497 HydrophobicContact CG-CD2 4.24Å; Q230-F497 HydrophobicContact CG-CE1 3.49Å; Q230-F497 VanDerWaalsContact CG-CE1 3.49Å; Q230-F497 HydrophobicContact CG-CE2 4.18Å; Q230-F497 HydrophobicContact CG-CG 3.92Å; Q230-F497 HydrophobicContact CG-CZ 3.82Å; Q230-K499 VanDerWaalsContact NE2-NZ 3.18Å
231	C	97.3	Very high	96.1	Very high	7 Å²	7	46.4 Å²	46.4	5%	0.047	23%	0.232	C	C	.	.	H	α-helix	trans	-62.3	-43.4	175.9	-71.1	0	0	0	0	112.4	F222 I225 D227 L228 E229 I234 R235	F222-C231 HydrophobicContact CD2-CB 4.09Å; F222-C231 HydrophobicContact CE2-CB 4.09Å; I225-C231 PolarHBondContact O-SG 3.49Å; D227-C231 PolarHBondContact O-N 3.24Å; D227-C231 VanDerWaalsContact O-N 3.1Å; D227-C231 PolarHBondContact O-SG 3.11Å; L228-C231 PolarHBondContact O-N 3.27Å; E229-C231 PolarHBondContact O-N 3.11Å; C231-I234 PolarHBondContact O-N 2.86Å; C231-R235 WeakPolarHBondContact O-CG 3.4Å; C231-R235 PolarHBondContact O-N 3.07Å
232	Q	96.4	Very high	95.7	Very high	74 Å²	74	47.7 Å²	47.7	35%	0.346	25%	0.248	S	C	.	.	H	α-helix	trans	-64.8	-40.4	177.9	-76.8	179.4	-5.6	0	0	111.7	F193 L228 E229 Q230 I234 R235 Q236	F193-Q232 WeakPolarHBondContact CE2-O 3.45Å; L228-Q232 HydrophobicContact CD1-CG 4.22Å; L228-Q232 HydrophobicContact CG-CG 4.39Å; L228-Q232 WeakPolarHBondContact O-CB 3.26Å; L228-Q232 WeakPolarHBondContact O-CG 3.48Å; L228-Q232 PolarHBondContact O-N 3.13Å; E229-Q232 PolarHBondContact O-N 3.27Å; Q230-Q232 PolarHBondContact O-N 2.84Å; Q232-I234 VanDerWaalsContact C-N 3.35Å; Q232-I234 PolarHBondContact O-N 3.09Å; Q232-R235 PolarHBondContact O-N 3.03Å; Q232-Q236 WeakPolarHBondContact O-CB 3.47Å; Q232-Q236 PolarHBondContact O-N 3.34Å
233	W	97.8	Very high	95.4	Very high	33 Å²	33	49.8 Å²	49.8	13%	0.125	26%	0.261	C	S	.	.	H	α-helix	trans	-60	-45.5	176.1	-173.2	101.3	0	0	0	111.3	E229 Q230 Q236 K237 V489 E492 W493 F497	E229-W233 WeakPolarHBondContact O-CB 3.45Å; E229-W233 PolarHBondContact O-N 2.81Å; Q230-W233 PolarHBondContact O-N 3.27Å; W233-Q236 WeakPolarHBondContact O-CB 3.23Å; W233-Q236 PolarHBondContact O-N 3.38Å; W233-K237 HydrophobicContact CD2-CG 4.1Å; W233-K237 HydrophobicContact CE3-CG 3.82Å; W233-K237 HydrophobicContact CH2-CD 4.3Å; W233-K237 HydrophobicContact CH2-CG 3.89Å; W233-K237 HydrophobicContact CZ2-CD 4.31Å; W233-K237 HydrophobicContact CZ2-CG 4.19Å; W233-K237 HydrophobicContact CZ3-CG 3.71Å; W233-K237 WeakPolarHBondContact O-CG 3.46Å; W233-K237 PolarHBondContact O-N 3.05Å; W233-V489 HydrophobicContact CH2-CG1 3.88Å; W233-V489 HydrophobicContact CZ3-CG1 3.72Å; W233-E492 HydrophobicContact CH2-CB 3.98Å; W233-E492 HydrophobicContact CZ2-CB 3.93Å; W233-W493 AromaticContact CE3-CE3 3.98Å; W233-W493 HydrophobicContact CE3-CE3 3.98Å; W233-W493 HydrophobicContact CH2-CB 3.99Å; W233-W493 HydrophobicContact CZ3-CB 4.06Å; W233-W493 HydrophobicContact CZ3-CE3 4.01Å; W233-F497 HydrophobicContact CB-CE2 3.99Å; W233-F497 HydrophobicContact CB-CZ 3.78Å; W233-F497 AromaticContact CD1-CZ 3.95Å; W233-F497 AromaticContact CD2-CE2 3.7Å; W233-F497 HydrophobicContact CD2-CE2 3.7Å; W233-F497 HydrophobicContact CD2-CZ 4.32Å; W233-F497 HydrophobicContact CE3-CE2 4.09Å; W233-F497 AromaticContact CG-CE2 3.66Å; W233-F497 HydrophobicContact CG-CE2 3.66Å; W233-F497 AromaticContact CG-CZ 3.77Å; W233-F497 HydrophobicContact CG-CZ 3.77Å
234	I	97.9	Very high	95.1	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-62.8	-47.3	176.9	-67.9	170.4	0	0	0	110.5	V220 F222 I225 Q230 C231 Q232 Q236 K237 F238 P471 F473 W493	V220-I234 HydrophobicContact CG1-CG2 3.69Å; F222-I234 HydrophobicContact CB-CD1 3.5Å; F222-I234 VanDerWaalsContact CB-CD1 3.5Å; F222-I234 HydrophobicContact CB-CG2 4.07Å; F222-I234 HydrophobicContact CD1-CG2 3.85Å; F222-I234 HydrophobicContact CD2-CB 4.07Å; F222-I234 HydrophobicContact CD2-CD1 4.23Å; F222-I234 HydrophobicContact CD2-CG2 3.98Å; F222-I234 HydrophobicContact CE1-CG2 4.28Å; F222-I234 HydrophobicContact CE2-CB 4.49Å; F222-I234 HydrophobicContact CE2-CG2 4.38Å; F222-I234 HydrophobicContact CG-CB 4.22Å; F222-I234 HydrophobicContact CG-CD1 4.08Å; F222-I234 HydrophobicContact CG-CG2 3.68Å; I225-I234 HydrophobicContact CD1-CD1 3.94Å; Q230-I234 WeakPolarHBondContact O-CG1 3.14Å; Q230-I234 PolarHBondContact O-N 3.26Å; C231-I234 PolarHBondContact O-N 2.86Å; Q232-I234 VanDerWaalsContact C-N 3.35Å; Q232-I234 PolarHBondContact O-N 3.09Å; I234-Q236 VanDerWaalsContact C-N 3.28Å; I234-Q236 PolarHBondContact O-N 3.31Å; I234-K237 PolarHBondContact O-N 3.5Å; I234-K237 VanDerWaalsContact O-N 3.08Å; I234-F238 HydrophobicContact CG2-CD2 3.81Å; I234-F238 HydrophobicContact CG2-CE2 4.12Å; I234-F238 WeakPolarHBondContact O-CD2 3.16Å; I234-F238 PolarHBondContact O-N 3.48Å; I234-P471 HydrophobicContact CD1-CB 3.75Å; I234-P471 HydrophobicContact CD1-CG 4.27Å; I234-F473 HydrophobicContact CG2-CE1 4.41Å; I234-W493 HydrophobicContact CD1-CE3 4.14Å; I234-W493 HydrophobicContact CD1-CH2 4.22Å; I234-W493 HydrophobicContact CD1-CZ3 3.61Å; I234-W493 HydrophobicContact CG1-CE3 4.12Å; I234-W493 HydrophobicContact CG1-CZ3 3.88Å
235	R	97.1	Very high	94.9	Very high	15 Å²	15	55.9 Å²	55.9	6%	0.057	29%	0.29	C	S	.	.	H	α-helix	trans	-56.3	-44.5	175.3	-68.8	174	-171.5	130.4	6.8	111.5	T191 F193 F222 M223 C231 Q232 K237 F238 E239	T191-R235 VanDerWaalsContact O-CD 3.28Å; T191-R235 WeakPolarHBondContact O-CD 3.34Å; F193-R235 HydrophobicContact CD2-CB 3.66Å; F193-R235 HydrophobicContact CE2-CB 3.91Å; F222-R235 HydrophobicContact CE2-CG 3.77Å; F222-R235 HydrophobicContact CZ-CG 3.62Å; M223-R235 PolarHBondContact SD-NH2 3.35Å; C231-R235 WeakPolarHBondContact O-CG 3.4Å; C231-R235 PolarHBondContact O-N 3.07Å; Q232-R235 PolarHBondContact O-N 3.03Å; R235-K237 VanDerWaalsContact C-N 3.29Å; R235-K237 PolarHBondContact O-N 2.78Å; R235-F238 PolarHBondContact O-N 3.01Å; R235-E239 HydrophobicContact CB-CG 4.37Å; R235-E239 WeakPolarHBondContact O-CA 3.35Å; R235-E239 WeakPolarHBondContact O-CB 3.35Å; R235-E239 WeakPolarHBondContact O-CG 3.3Å; R235-E239 PolarHBondContact O-N 3.17Å
236	Q	96.2	Very high	94.8	Very high	100 Å²	100	57.1 Å²	57.1	47%	0.467	30%	0.295	S	S	.	.	H	α-helix	trans	-60.9	-39.5	177.8	-171.3	-177.9	13.3	0	0	111.8	F193 Q232 W233 I234 T240	F193-Q236 HydrophobicContact CD1-CB 4.39Å; F193-Q236 HydrophobicContact CD1-CG 4.31Å; F193-Q236 HydrophobicContact CD2-CB 4.17Å; F193-Q236 HydrophobicContact CE1-CB 4.37Å; F193-Q236 HydrophobicContact CE1-CG 4.4Å; F193-Q236 HydrophobicContact CE2-CB 4.14Å; F193-Q236 HydrophobicContact CG-CB 4.28Å; F193-Q236 HydrophobicContact CZ-CB 4.25Å; Q232-Q236 WeakPolarHBondContact O-CB 3.47Å; Q232-Q236 PolarHBondContact O-N 3.34Å; W233-Q236 WeakPolarHBondContact O-CB 3.23Å; W233-Q236 PolarHBondContact O-N 3.38Å; I234-Q236 VanDerWaalsContact C-N 3.28Å; I234-Q236 PolarHBondContact O-N 3.31Å; Q236-T240 VanDerWaalsContact O-CB 3.28Å; Q236-T240 WeakPolarHBondContact O-CB 3.25Å; Q236-T240 PolarHBondContact O-OG1 3.41Å
237	K	96.7	Very high	94.8	Very high	52 Å²	52	54 Å²	54	23%	0.226	28%	0.281	C	S	.	.	H	α-helix	trans	-66.1	-46.3	177.1	-66.2	-66.7	178.1	172.6	0	111.9	W233 I234 R235 V243 Y485 V489 E492	W233-K237 HydrophobicContact CD2-CG 4.1Å; W233-K237 HydrophobicContact CE3-CG 3.82Å; W233-K237 HydrophobicContact CH2-CD 4.3Å; W233-K237 HydrophobicContact CH2-CG 3.89Å; W233-K237 HydrophobicContact CZ2-CD 4.31Å; W233-K237 HydrophobicContact CZ2-CG 4.19Å; W233-K237 HydrophobicContact CZ3-CG 3.71Å; W233-K237 WeakPolarHBondContact O-CG 3.46Å; W233-K237 PolarHBondContact O-N 3.05Å; I234-K237 PolarHBondContact O-N 3.5Å; I234-K237 VanDerWaalsContact O-N 3.08Å; R235-K237 VanDerWaalsContact C-N 3.29Å; R235-K237 PolarHBondContact O-N 2.78Å; K237-V243 VanDerWaalsContact O-CG1 3.31Å; K237-V243 WeakPolarHBondContact O-CG1 3.43Å; K237-Y485 PolarHBondContact O-OH 3.21Å; K237-V489 HydrophobicContact CB-CG1 4.11Å; K237-V489 HydrophobicContact CB-CG2 4.3Å; K237-V489 HydrophobicContact CD-CG2 4.5Å; K237-V489 HydrophobicContact CG-CG1 4.13Å; K237-E492 WeakPolarHBondContact CE-OE2 3.33Å; K237-E492 IonicContact NZ-OE2 2.83Å; K237-E492 PolarHBondContact NZ-OE2 2.53Å
238	F	96.8	Very high	94.5	Very high	11 Å²	11	55.7 Å²	55.7	5%	0.048	29%	0.289	C	S	.	.	H	α-helix	trans	-95.1	-28.6	-171	-68.9	-81.1	0	0	0	115.3	A213 I218 V220 I234 R235 F473 Y485 V486 V489	A213-F238 WeakPolarHBondContact CB-O 3.41Å; I218-F238 HydrophobicContact CG2-CD1 4.18Å; I218-F238 HydrophobicContact CG2-CE1 3.86Å; V220-F238 HydrophobicContact CG1-CD2 4.05Å; V220-F238 HydrophobicContact CG1-CE2 4.12Å; V220-F238 HydrophobicContact CG2-CB 4.36Å; V220-F238 HydrophobicContact CG2-CD1 3.77Å; V220-F238 HydrophobicContact CG2-CD2 4.04Å; V220-F238 HydrophobicContact CG2-CE1 4.01Å; V220-F238 HydrophobicContact CG2-CE2 4.26Å; V220-F238 HydrophobicContact CG2-CG 3.79Å; V220-F238 HydrophobicContact CG2-CZ 4.25Å; I234-F238 HydrophobicContact CG2-CD2 3.81Å; I234-F238 HydrophobicContact CG2-CE2 4.12Å; I234-F238 WeakPolarHBondContact O-CD2 3.16Å; I234-F238 PolarHBondContact O-N 3.48Å; R235-F238 PolarHBondContact O-N 3.01Å; F238-F473 AromaticContact CE2-CD1 3.96Å; F238-F473 HydrophobicContact CE2-CD1 3.96Å; F238-F473 AromaticContact CE2-CE1 3.55Å; F238-F473 HydrophobicContact CE2-CE1 3.55Å; F238-F473 AromaticContact CE2-CZ 3.89Å; F238-F473 HydrophobicContact CE2-CZ 3.89Å; F238-F473 AromaticContact CZ-CD1 3.86Å; F238-F473 HydrophobicContact CZ-CD1 3.86Å; F238-F473 HydrophobicContact CZ-CD2 4.46Å; F238-F473 AromaticContact CZ-CE1 3.89Å; F238-F473 HydrophobicContact CZ-CE1 3.89Å; F238-F473 HydrophobicContact CZ-CE2 4.47Å; F238-F473 HydrophobicContact CZ-CG 4.16Å; F238-F473 HydrophobicContact CZ-CZ 4.2Å; F238-Y485 HydrophobicContact CD1-CE1 4.05Å; F238-Y485 HydrophobicContact CE1-CD1 4.27Å; F238-Y485 AromaticContact CE1-CE1 3.88Å; F238-Y485 HydrophobicContact CE1-CE1 3.88Å; F238-V486 HydrophobicContact CE1-CG2 4.27Å; F238-V489 HydrophobicContact CE2-CG1 3.81Å; F238-V489 HydrophobicContact CZ-CB 4.25Å; F238-V489 HydrophobicContact CZ-CG1 3.92Å; F238-V489 HydrophobicContact CZ-CG2 4.39Å
239	E	96.6	Very high	94.3	Very high	6 Å²	6	57.7 Å²	57.7	3%	0.028	30%	0.296	C	S	.	.	H	α-helix	trans	-88.8	-23	-176.7	-61.6	-177.4	151.7	0	0	113.2	Q138 T192 F193 I194 A213 Y214 R235 P241	Q138-E239 PolarHBondContact NE2-OE1 2.87Å; T192-E239 WeakPolarHBondContact CA-OE2 3.43Å; T192-E239 VanDerWaalsContact OG1-CD 3.3Å; T192-E239 PolarHBondContact OG1-OE1 3.14Å; T192-E239 PolarHBondContact OG1-OE2 3.4Å; F193-E239 HydrophobicContact CB-CB 4.09Å; F193-E239 PolarHBondContact N-OE2 3.46Å; I194-E239 WeakPolarHBondContact CA-O 3.31Å; I194-E239 HydrophobicContact CG2-CB 3.8Å; I194-E239 HydrophobicContact CG2-CG 4.09Å; A213-E239 HydrophobicContact CB-CG 4.44Å; Y214-E239 HydrophobicContact CE2-CG 3.81Å; Y214-E239 WeakPolarHBondContact CE2-OE1 3.22Å; Y214-E239 VanDerWaalsContact OH-CD 3.29Å; Y214-E239 WeakPolarHBondContact OH-CG 3.09Å; Y214-E239 PolarHBondContact OH-OE1 3.29Å; R235-E239 HydrophobicContact CB-CG 4.37Å; R235-E239 WeakPolarHBondContact O-CA 3.35Å; R235-E239 WeakPolarHBondContact O-CB 3.35Å; R235-E239 WeakPolarHBondContact O-CG 3.3Å; R235-E239 PolarHBondContact O-N 3.17Å; E239-P241 WeakPolarHBondContact O-CD 3.39Å
240	T	95.2	Very high	94	Very high	46 Å²	46	55.1 Å²	55.1	28%	0.282	28%	0.284	S	S	.	.	S	Bend	trans	-62.3	128	-176.9	-61.4	0	0	0	0	110.4	Q236 G242 V243	Q236-T240 VanDerWaalsContact O-CB 3.28Å; Q236-T240 WeakPolarHBondContact O-CB 3.25Å; Q236-T240 PolarHBondContact O-OG1 3.41Å; T240-G242 PolarHBondContact O-N 3.05Å; T240-V243 HydrophobicContact CG2-CG1 4.28Å; T240-V243 WeakPolarHBondContact O-CG1 3.45Å; T240-V243 WeakPolarHBondContact O-CG2 3.35Å
241	P	92.6	Very high	93.9	Very high	58 Å²	58	56 Å²	56	38%	0.377	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	137.6	178.5	-27.2	35.1	0	0	0	113.1	I194 E239	I194-P241 WeakPolarHBondContact O-CG 3.36Å; E239-P241 WeakPolarHBondContact O-CD 3.39Å
242	G	88.8	Confident	93.7	Very high	35 Å²	35	61 Å²	61	36%	0.361	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.4	5.7	173.7	0	0	0	0	0	115.8	T240 M244 Q245	T240-G242 PolarHBondContact O-N 3.05Å; G242-M244 PolarHBondContact O-N 3.07Å; G242-M244 VanDerWaalsContact O-N 3.15Å; G242-Q245 WeakPolarHBondContact O-CB 3.36Å; G242-Q245 WeakPolarHBondContact O-CG 3.36Å; G242-Q245 PolarHBondContact O-N 3.18Å; G242-Q245 VanDerWaalsContact O-N 3.13Å
243	V	90.3	Very high	93.6	Very high	45 Å²	45	60.2 Å²	60.2	27%	0.273	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-24.1	-178.9	-70	0	0	0	0	114.7	K237 T240 Q245 Y485	K237-V243 VanDerWaalsContact O-CG1 3.31Å; K237-V243 WeakPolarHBondContact O-CG1 3.43Å; T240-V243 HydrophobicContact CG2-CG1 4.28Å; T240-V243 WeakPolarHBondContact O-CG1 3.45Å; T240-V243 WeakPolarHBondContact O-CG2 3.35Å; V243-Q245 VanDerWaalsContact C-N 3.35Å; V243-Y485 HydrophobicContact CB-CE2 3.95Å; V243-Y485 WeakPolarHBondContact CB-OH 3.37Å; V243-Y485 HydrophobicContact CG2-CE1 4.5Å; V243-Y485 WeakPolarHBondContact O-CD2 3.28Å; V243-Y485 WeakPolarHBondContact O-CE2 3.27Å
244	M	89.9	Confident	93.5	Very high	64 Å²	64	59 Å²	59	32%	0.315	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	17.5	178.3	-73.8	-60.4	-65.8	0	0	114	I218 G242 F246 E481 A482 Y485	I218-M244 HydrophobicContact CD1-CE 4.43Å; I218-M244 HydrophobicContact CD1-SD 3.98Å; G242-M244 PolarHBondContact O-N 3.07Å; G242-M244 VanDerWaalsContact O-N 3.15Å; M244-F246 HydrophobicContact CE-CE2 4.14Å; M244-F246 WeakPolarHBondContact O-CD2 3.48Å; M244-E481 HydrophobicContact CE-CB 4.41Å; M244-A482 VanDerWaalsContact CE-CA 3.43Å; M244-A482 HydrophobicContact CE-CB 4.03Å; M244-Y485 WeakPolarHBondContact SD-CB 3.32Å; M244-Y485 HydrophobicContact SD-CD1 3.57Å; M244-Y485 VanDerWaalsContact SD-CD1 3.57Å; M244-Y485 HydrophobicContact SD-CD2 3.99Å; M244-Y485 HydrophobicContact SD-CE1 4.41Å; M244-Y485 HydrophobicContact SD-CG 3.34Å
245	Q	90.5	Very high	93.4	Very high	163 Å²	163	59.3 Å²	59.3	76%	0.762	30%	0.304	S	S	*	.			trans	-85.5	120.1	176.8	-69.4	179	0.9	0	0	111.3	G242 V243	G242-Q245 WeakPolarHBondContact O-CB 3.36Å; G242-Q245 WeakPolarHBondContact O-CG 3.36Å; G242-Q245 PolarHBondContact O-N 3.18Å; G242-Q245 VanDerWaalsContact O-N 3.13Å; V243-Q245 VanDerWaalsContact C-N 3.35Å
246	F	93.2	Very high	93.3	Very high	36 Å²	36	59.7 Å²	59.7	16%	0.158	31%	0.31	C	S	.	.			trans	-106	140.3	177.1	-72.3	-98	0	0	0	111.5	M244 E250 K251 E481 T484	M244-F246 HydrophobicContact CE-CE2 4.14Å; M244-F246 WeakPolarHBondContact O-CD2 3.48Å; F246-E250 HydrophobicContact CD1-CB 4.01Å; F246-K251 HydrophobicContact CB-CD 4.42Å; F246-K251 HydrophobicContact CB-CG 3.88Å; F246-E481 HydrophobicContact CD2-CB 4Å; F246-E481 HydrophobicContact CD2-CG 3.91Å; F246-E481 HydrophobicContact CE2-CB 3.63Å; F246-E481 HydrophobicContact CE2-CG 4.02Å; F246-E481 HydrophobicContact CG-CG 4.3Å; F246-E481 HydrophobicContact CZ-CB 4.1Å; F246-E481 HydrophobicContact CZ-CG 4.47Å; F246-E481 WeakPolarHBondContact CZ-O 3.5Å; F246-T484 HydrophobicContact CE1-CG2 3.77Å; F246-T484 HydrophobicContact CZ-CG2 4.24Å
247	T	92.3	Very high	93.4	Very high	77 Å²	77	56.6 Å²	56.6	47%	0.472	29%	0.294	S	S	.	.			trans	-70.2	158.8	169.9	64.5	0	0	0	0	111.3	E249 E250 K251	T247-E249 PolarHBondContact O-N 2.98Å; T247-E250 WeakPolarHBondContact CB-OE2 3.35Å; T247-E250 WeakPolarHBondContact CG2-OE2 3.33Å; T247-E250 PolarHBondContact N-OE2 3.3Å; T247-E250 PolarHBondContact O-N 2.93Å; T247-E250 WeakPolarHBondContact OG1-CB 3.27Å; T247-E250 VanDerWaalsContact OG1-CD 3.29Å; T247-E250 WeakPolarHBondContact OG1-CG 2.93Å; T247-E250 PolarHBondContact OG1-N 3.31Å; T247-E250 PolarHBondContact OG1-OE2 3.39Å; T247-K251 WeakPolarHBondContact O-CG 3.49Å; T247-K251 PolarHBondContact O-N 2.85Å
248	L	90.8	Very high	93.4	Very high	94 Å²	94	54.1 Å²	54.1	49%	0.492	28%	0.283	S	S	.	.	H	α-helix	trans	-59.2	-34.5	176.9	-65.2	-179.8	0	0	0	112.5	R252 A549	L248-R252 WeakPolarHBondContact O-CG 3.46Å; L248-R252 PolarHBondContact O-N 3.31Å; L248-A549 HydrophobicContact CD2-CB 3.64Å
249	E	89.4	Confident	93.4	Very high	150 Å²	150	53.6 Å²	53.6	70%	0.701	28%	0.281	S	S	*	.	H	α-helix	trans	-70.3	-41.9	178.2	-173.8	177.3	-179.2	0	0	112.2	T247 K251 R252 T253	T247-E249 PolarHBondContact O-N 2.98Å; E249-K251 VanDerWaalsContact C-N 3.32Å; E249-K251 PolarHBondContact O-N 3.34Å; E249-R252 PolarHBondContact O-N 3.48Å; E249-T253 WeakPolarHBondContact O-CB 3.36Å; E249-T253 PolarHBondContact O-N 3.44Å; E249-T253 PolarHBondContact O-OG1 3.33Å
250	E	92.2	Very high	93.5	Very high	82 Å²	82	56 Å²	56	38%	0.383	29%	0.29	S	S	.	.	H	α-helix	trans	-61.9	-43.1	174	-72	165.9	136.8	0	0	110.8	F246 T247 R252 T253 L254	F246-E250 HydrophobicContact CD1-CB 4.01Å; T247-E250 WeakPolarHBondContact CB-OE2 3.35Å; T247-E250 WeakPolarHBondContact CG2-OE2 3.33Å; T247-E250 PolarHBondContact N-OE2 3.3Å; T247-E250 PolarHBondContact O-N 2.93Å; T247-E250 WeakPolarHBondContact OG1-CB 3.27Å; T247-E250 VanDerWaalsContact OG1-CD 3.29Å; T247-E250 WeakPolarHBondContact OG1-CG 2.93Å; T247-E250 PolarHBondContact OG1-N 3.31Å; T247-E250 PolarHBondContact OG1-OE2 3.39Å; E250-R252 PolarHBondContact O-N 3.45Å; E250-T253 PolarHBondContact O-N 3.04Å; E250-L254 WeakPolarHBondContact O-CB 3.36Å; E250-L254 PolarHBondContact O-N 2.92Å
251	K	95.1	Very high	93.6	Very high	27 Å²	27	53.8 Å²	53.8	12%	0.117	28%	0.276	C	S	.	.	H	α-helix	trans	-60.1	-44.4	176.2	-73.9	-178	176	-166.2	0	112.6	F246 T247 E249 L254 L255 E481 Y540 L544 E547 A549	F246-K251 HydrophobicContact CB-CD 4.42Å; F246-K251 HydrophobicContact CB-CG 3.88Å; T247-K251 WeakPolarHBondContact O-CG 3.49Å; T247-K251 PolarHBondContact O-N 2.85Å; E249-K251 VanDerWaalsContact C-N 3.32Å; E249-K251 PolarHBondContact O-N 3.34Å; K251-L254 PolarHBondContact O-N 2.8Å; K251-L255 PolarHBondContact O-N 3.21Å; K251-E481 VanDerWaalsContact CE-OE1 3.29Å; K251-E481 WeakPolarHBondContact CE-OE1 3.28Å; K251-E481 IonicContact NZ-OE1 3.77Å; K251-Y540 WeakPolarHBondContact CA-OH 3.45Å; K251-Y540 PolarHBondContact O-OH 3.04Å; K251-L544 HydrophobicContact CB-CD1 4.49Å; K251-L544 HydrophobicContact CB-CD2 3.77Å; K251-L544 HydrophobicContact CD-CD2 3.7Å; K251-L544 HydrophobicContact CG-CD2 3.96Å; K251-E547 IonicContact NZ-OE1 2.71Å; K251-E547 IonicContact NZ-OE2 3.96Å; K251-E547 PolarHBondContact NZ-OE2 2.86Å; K251-A549 HydrophobicContact CD-CB 4.36Å
252	R	92.6	Very high	93.8	Very high	112 Å²	112	51.3 Å²	51.3	42%	0.423	26%	0.26	S	S	.	.	H	α-helix	trans	-64	-42.7	175.2	-77.2	173.5	-179.4	147.7	-1.2	112.4	L248 E249 E250 L254 L255 A256 A549 V550	L248-R252 WeakPolarHBondContact O-CG 3.46Å; L248-R252 PolarHBondContact O-N 3.31Å; E249-R252 PolarHBondContact O-N 3.48Å; E250-R252 PolarHBondContact O-N 3.45Å; R252-L254 VanDerWaalsContact C-N 3.34Å; R252-L255 PolarHBondContact O-N 2.9Å; R252-A256 PolarHBondContact O-N 3.32Å; R252-A549 PolarHBondContact NE-O 3.27Å; R252-A549 PolarHBondContact NH2-O 2.9Å; R252-A549 VanDerWaalsContact NH2-O 3.12Å; R252-V550 HydrophobicContact CG-CG2 3.75Å
253	T	93.1	Very high	94.2	Very high	58 Å²	58	52.3 Å²	52.3	36%	0.356	25%	0.253	S	S	.	.	H	α-helix	trans	-63.2	-43	177.1	-63	0	0	0	0	111.2	E249 E250 A256 R257	E249-T253 WeakPolarHBondContact O-CB 3.36Å; E249-T253 PolarHBondContact O-N 3.44Å; E249-T253 PolarHBondContact O-OG1 3.33Å; E250-T253 PolarHBondContact O-N 3.04Å; T253-A256 PolarHBondContact O-N 3.38Å; T253-R257 WeakPolarHBondContact O-CG 3.44Å; T253-R257 PolarHBondContact O-N 3.18Å; T253-R257 VanDerWaalsContact O-N 3.08Å
254	L	95.9	Very high	94.5	Very high	7 Å²	7	50.2 Å²	50.2	4%	0.037	24%	0.24	C	C	.	.	H	α-helix	trans	-62.8	-43.8	175.6	179.9	51.8	0	0	0	111.3	E250 K251 R252 A256 R257 M258 P288 P480 E481 T484 Y540	E250-L254 WeakPolarHBondContact O-CB 3.36Å; E250-L254 PolarHBondContact O-N 2.92Å; K251-L254 PolarHBondContact O-N 2.8Å; R252-L254 VanDerWaalsContact C-N 3.34Å; L254-A256 PolarHBondContact O-N 3.14Å; L254-R257 PolarHBondContact O-N 2.81Å; L254-M258 HydrophobicContact CD1-CG 4.32Å; L254-M258 WeakPolarHBondContact O-CG 3.46Å; L254-M258 PolarHBondContact O-N 3.32Å; L254-P288 HydrophobicContact CD1-CB 3.43Å; L254-P288 VanDerWaalsContact CD1-CB 3.43Å; L254-P288 HydrophobicContact CD1-CG 3.91Å; L254-P480 HydrophobicContact CD1-CB 4.02Å; L254-P480 HydrophobicContact CD2-CB 3.92Å; L254-P480 WeakPolarHBondContact CD2-O 3.28Å; L254-P480 HydrophobicContact CG-CB 4.1Å; L254-E481 HydrophobicContact CD2-CG 4Å; L254-T484 WeakPolarHBondContact CD1-OG1 3.38Å; L254-Y540 HydrophobicContact CB-CE1 4.26Å; L254-Y540 HydrophobicContact CD2-CE1 4.25Å; L254-Y540 HydrophobicContact CD2-CE2 4.35Å; L254-Y540 WeakPolarHBondContact CD2-OH 3.32Å; L254-Y540 HydrophobicContact CG-CE1 3.84Å
255	L	96.8	Very high	94.7	Very high	8 Å²	8	47.2 Å²	47.2	4%	0.042	23%	0.225	C	C	.	.	H	α-helix	trans	-58	-48.2	174.8	-179.6	63.8	0	0	0	111.5	K251 R252 R257 M258 V259 L537 Y540 A541 L544 V550 Y555	K251-L255 PolarHBondContact O-N 3.21Å; R252-L255 PolarHBondContact O-N 2.9Å; L255-R257 VanDerWaalsContact C-N 3.28Å; L255-R257 PolarHBondContact O-N 3.02Å; L255-M258 PolarHBondContact O-N 3Å; L255-M258 VanDerWaalsContact O-N 3.14Å; L255-V259 HydrophobicContact CD1-CG2 4.44Å; L255-V259 HydrophobicContact CG-CG2 4.48Å; L255-V259 WeakPolarHBondContact O-CG2 3.5Å; L255-V259 PolarHBondContact O-N 3.45Å; L255-L537 HydrophobicContact CD1-CD1 3.93Å; L255-Y540 HydrophobicContact CB-CE1 4.08Å; L255-Y540 HydrophobicContact CD1-CD1 4.14Å; L255-Y540 HydrophobicContact CD1-CE1 4.49Å; L255-A541 HydrophobicContact CD1-CB 4.35Å; L255-L544 HydrophobicContact CB-CD1 3.81Å; L255-L544 HydrophobicContact CD1-CD1 4.31Å; L255-L544 HydrophobicContact CD2-CD1 4.01Å; L255-L544 HydrophobicContact CG-CD1 4.26Å; L255-V550 HydrophobicContact CD2-CB 4.33Å; L255-V550 HydrophobicContact CD2-CG1 3.98Å; L255-V550 HydrophobicContact CD2-CG2 3.97Å; L255-Y555 HydrophobicContact CD1-CD2 4.07Å; L255-Y555 HydrophobicContact CD1-CE2 4.24Å; L255-Y555 HydrophobicContact CD2-CD2 4.25Å
256	A	95.4	Very high	95	Very high	23 Å²	23	43.6 Å²	43.6	19%	0.19	21%	0.208	C	C	.	.	H	α-helix	trans	-61.4	-35.2	178.7	0	0	0	0	0	112.6	R252 T253 L254 R260 E558	R252-A256 PolarHBondContact O-N 3.32Å; T253-A256 PolarHBondContact O-N 3.38Å; L254-A256 PolarHBondContact O-N 3.14Å; A256-R260 VanDerWaalsContact O-CG 3.27Å; A256-R260 WeakPolarHBondContact O-CG 3.48Å; A256-R260 PolarHBondContact O-N 2.87Å; A256-R260 VanDerWaalsContact O-N 3.16Å; A256-E558 HydrophobicContact CB-CG 4.23Å
257	R	96.3	Very high	95.1	Very high	34 Å²	34	42.3 Å²	42.3	13%	0.128	20%	0.203	C	C	.	.	H	α-helix	trans	-68	-42.9	173.7	-70.5	171.6	-175.7	-165.6	-6.8	111.7	T253 L254 L255 R260 S261 P288 K291 D295	T253-R257 WeakPolarHBondContact O-CG 3.44Å; T253-R257 PolarHBondContact O-N 3.18Å; T253-R257 VanDerWaalsContact O-N 3.08Å; L254-R257 PolarHBondContact O-N 2.81Å; L255-R257 VanDerWaalsContact C-N 3.28Å; L255-R257 PolarHBondContact O-N 3.02Å; R257-R260 PolarHBondContact O-N 3.21Å; R257-S261 WeakPolarHBondContact O-CB 3.41Å; R257-S261 PolarHBondContact O-N 2.93Å; R257-P288 HydrophobicContact CB-CB 4.06Å; R257-K291 VanDerWaalsContact NH1-CB 3.26Å; R257-D295 IonicContact CZ-OD2 2.76Å; R257-D295 IonicContact NH1-OD2 3.76Å; R257-D295 PolarHBondContact NH1-OD2 3.42Å; R257-D295 IonicContact NH2-OD1 3.29Å; R257-D295 IonicContact NH2-OD2 3.69Å; R257-D295 PolarHBondContact NH2-OD2 2.77Å
258	M	97.6	Very high	95.2	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-63.8	-40.8	176.3	-72.4	-60.8	-65.9	0	0	112.2	L254 L255 S261 T262 E284 P288 P480 V536 L537 Y540	L254-M258 HydrophobicContact CD1-CG 4.32Å; L254-M258 WeakPolarHBondContact O-CG 3.46Å; L254-M258 PolarHBondContact O-N 3.32Å; L255-M258 PolarHBondContact O-N 3Å; L255-M258 VanDerWaalsContact O-N 3.14Å; M258-S261 PolarHBondContact O-N 3.26Å; M258-T262 WeakPolarHBondContact O-CB 3.33Å; M258-T262 PolarHBondContact O-N 2.97Å; M258-T262 PolarHBondContact O-OG1 3.42Å; M258-E284 HydrophobicContact CE-CB 4.07Å; M258-P288 HydrophobicContact CG-CG 4.35Å; M258-P288 HydrophobicContact SD-CG 3.6Å; M258-P288 VanDerWaalsContact SD-CG 3.6Å; M258-P480 HydrophobicContact CE-CG 4.04Å; M258-P480 HydrophobicContact CG-CB 4.33Å; M258-P480 HydrophobicContact CG-CG 4.36Å; M258-P480 HydrophobicContact SD-CB 4.27Å; M258-P480 HydrophobicContact SD-CG 4.17Å; M258-V536 HydrophobicContact CE-CB 3.89Å; M258-V536 HydrophobicContact CE-CG1 3.54Å; M258-L537 HydrophobicContact CB-CD1 3.83Å; M258-Y540 HydrophobicContact CG-CD1 4.49Å
259	V	97.8	Very high	95.3	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-58.2	-52.2	174.1	169.3	0	0	0	0	110	L255 S261 T262 R263 L537 Y555 E558 I559	L255-V259 HydrophobicContact CD1-CG2 4.44Å; L255-V259 HydrophobicContact CG-CG2 4.48Å; L255-V259 WeakPolarHBondContact O-CG2 3.5Å; L255-V259 PolarHBondContact O-N 3.45Å; V259-S261 VanDerWaalsContact C-N 3.33Å; V259-S261 PolarHBondContact O-N 3.13Å; V259-T262 PolarHBondContact O-N 3.11Å; V259-R263 HydrophobicContact CG1-CG 3.88Å; V259-R263 VanDerWaalsContact O-CB 3.24Å; V259-R263 WeakPolarHBondContact O-CB 3.21Å; V259-R263 WeakPolarHBondContact O-CG 3.41Å; V259-R263 PolarHBondContact O-N 2.99Å; V259-L537 HydrophobicContact CG2-CD1 3.8Å; V259-L537 HydrophobicContact CG2-CD2 4.28Å; V259-Y555 HydrophobicContact CG2-CE2 4.4Å; V259-E558 HydrophobicContact CG1-CG 4.42Å; V259-E558 HydrophobicContact CG2-CG 4.44Å; V259-I559 HydrophobicContact CG1-CG1 4.07Å; V259-I559 HydrophobicContact CG2-CG1 4.28Å
260	R	96.9	Very high	95.5	Very high	57 Å²	57	37.2 Å²	37.2	22%	0.215	17%	0.169	C	C	.	.	H	α-helix	trans	-58.5	-44.1	178.9	-69.5	173	-177.8	-104.7	-3.6	112.6	A256 R257 F264 N320 Y562	A256-R260 VanDerWaalsContact O-CG 3.27Å; A256-R260 WeakPolarHBondContact O-CG 3.48Å; A256-R260 PolarHBondContact O-N 2.87Å; A256-R260 VanDerWaalsContact O-N 3.16Å; R257-R260 PolarHBondContact O-N 3.21Å; R260-F264 VanDerWaalsContact O-CB 3.22Å; R260-F264 WeakPolarHBondContact O-CB 3.34Å; R260-F264 PolarHBondContact O-N 3.49Å; R260-N320 PolarHBondContact O-ND2 2.94Å; R260-Y562 HydrophobicContact CB-CD2 4.31Å; R260-Y562 HydrophobicContact CB-CE2 4Å; R260-Y562 HydrophobicContact CG-CD2 3.61Å; R260-Y562 HydrophobicContact CG-CE2 3.67Å; R260-Y562 HydrophobicContact CG-CG 4.14Å; R260-Y562 WeakPolarHBondContact O-CE1 3.46Å
261	S	97	Very high	95.5	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-59.4	-51.6	178.8	-170.9	0	0	0	0	111.5	R257 M258 V259 E284 I287 N316	R257-S261 WeakPolarHBondContact O-CB 3.41Å; R257-S261 PolarHBondContact O-N 2.93Å; M258-S261 PolarHBondContact O-N 3.26Å; V259-S261 VanDerWaalsContact C-N 3.33Å; V259-S261 PolarHBondContact O-N 3.13Å; S261-E284 WeakPolarHBondContact CB-O 3.48Å; S261-E284 WeakPolarHBondContact OG-CA 3.31Å; S261-E284 PolarHBondContact OG-O 3.01Å; S261-I287 WeakPolarHBondContact OG-CG1 3.43Å; S261-N316 PolarHBondContact O-ND2 2.87Å
262	T	97.1	Very high	95.3	Very high	6 Å²	6	36.8 Å²	36.8	4%	0.037	17%	0.165	C	C	.	.	H	α-helix	trans	-73.1	-49.7	-173.8	-48.2	0	0	0	0	111.9	M258 V259 F264 E265 E266 L537	M258-T262 WeakPolarHBondContact O-CB 3.33Å; M258-T262 PolarHBondContact O-N 2.97Å; M258-T262 PolarHBondContact O-OG1 3.42Å; V259-T262 PolarHBondContact O-N 3.11Å; T262-F264 PolarHBondContact O-N 3.32Å; T262-E265 PolarHBondContact O-N 2.97Å; T262-E266 PolarHBondContact O-N 2.76Å; T262-E266 VanDerWaalsContact O-N 3.14Å; T262-L537 HydrophobicContact CG2-CB 4.25Å; T262-L537 HydrophobicContact CG2-CD2 4.07Å
263	R	97.1	Very high	95	Very high	56 Å²	56	35.1 Å²	35.1	21%	0.211	17%	0.17	C	C	.	.	H	α-helix	trans	-65.6	-28.4	-175.8	-64.3	-55.3	-62.7	174	4	112.3	V259 E266 F267 Y562 D563	V259-R263 HydrophobicContact CG1-CG 3.88Å; V259-R263 VanDerWaalsContact O-CB 3.24Å; V259-R263 WeakPolarHBondContact O-CB 3.21Å; V259-R263 WeakPolarHBondContact O-CG 3.41Å; V259-R263 PolarHBondContact O-N 2.99Å; R263-E266 IonicContact CZ-OE2 2.81Å; R263-E266 VanDerWaalsContact CZ-OE2 3.31Å; R263-E266 IonicContact NE-OE2 2.93Å; R263-E266 IonicContact NH1-OE2 3.21Å; R263-E266 PolarHBondContact NH1-OE2 3.38Å; R263-E266 IonicContact NH2-OE2 2.66Å; R263-F267 VanDerWaalsContact O-CB 3.26Å; R263-F267 WeakPolarHBondContact O-CB 3.24Å; R263-F267 PolarHBondContact O-N 3.38Å; R263-Y562 HydrophobicContact CB-CD1 3.62Å; R263-Y562 HydrophobicContact CB-CE1 4.11Å; R263-D563 IonicContact CZ-OD1 2.89Å; R263-D563 IonicContact CZ-OD2 3.45Å; R263-D563 IonicContact NE-OD1 3.96Å; R263-D563 PolarHBondContact NE-OD1 3.47Å; R263-D563 IonicContact NE-OD2 3.25Å; R263-D563 IonicContact NH2-OD1 3.12Å; R263-D563 PolarHBondContact NH2-OD1 3.22Å; R263-D563 IonicContact NH2-OD2 2.97Å; R263-D563 PolarHBondContact NH2-OD2 3.38Å
264	F	96.9	Very high	94.6	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-63.5	-47	174.2	-176.4	-103.1	0	0	0	111.9	R260 T262 F267 L268 L315 N316 A319 L326 F330 Y562	R260-F264 VanDerWaalsContact O-CB 3.22Å; R260-F264 WeakPolarHBondContact O-CB 3.34Å; R260-F264 PolarHBondContact O-N 3.49Å; T262-F264 PolarHBondContact O-N 3.32Å; F264-F267 WeakPolarHBondContact O-CB 3.2Å; F264-F267 PolarHBondContact O-N 3.26Å; F264-L268 HydrophobicContact CD1-CD1 4.14Å; F264-L268 HydrophobicContact CD1-CG 4.47Å; F264-L268 HydrophobicContact CE1-CD1 3.53Å; F264-L268 HydrophobicContact CE1-CG 4.11Å; F264-L268 HydrophobicContact CZ-CD1 3.91Å; F264-L268 HydrophobicContact CZ-CD2 4.29Å; F264-L268 HydrophobicContact CZ-CG 4.2Å; F264-L268 WeakPolarHBondContact O-CG 3.32Å; F264-L268 PolarHBondContact O-N 3.3Å; F264-L315 HydrophobicContact CE1-CB 4.01Å; F264-L315 HydrophobicContact CZ-CB 4.37Å; F264-N316 HydrophobicContact CD1-CB 3.96Å; F264-N316 HydrophobicContact CE1-CB 4.25Å; F264-A319 HydrophobicContact CD2-CB 4.19Å; F264-A319 HydrophobicContact CE1-CB 4.33Å; F264-A319 HydrophobicContact CE2-CB 3.76Å; F264-A319 HydrophobicContact CZ-CB 3.82Å; F264-L326 HydrophobicContact CD2-CD2 4.25Å; F264-L326 HydrophobicContact CE2-CD2 3.72Å; F264-F330 AromaticContact CE2-CE1 3.78Å; F264-F330 HydrophobicContact CE2-CE1 3.78Å; F264-F330 HydrophobicContact CE2-CZ 4.09Å; F264-F330 HydrophobicContact CZ-CE1 4.33Å; F264-Y562 HydrophobicContact CB-CE1 3.98Å
265	E	95.4	Very high	94.1	Very high	2 Å²	2	39 Å²	39	1%	0.009	20%	0.195	C	C	.	.	H	α-helix	trans	-65.2	-43.3	178.2	-61.3	-59.2	170.2	0	0	111.8	T262 F267 L268 Q269 R277 G279 L280 E281 N316	T262-E265 PolarHBondContact O-N 2.97Å; E265-F267 VanDerWaalsContact C-N 3.28Å; E265-F267 PolarHBondContact O-N 3.24Å; E265-L268 PolarHBondContact O-N 3.23Å; E265-Q269 WeakPolarHBondContact O-CB 3.49Å; E265-Q269 PolarHBondContact O-N 3.33Å; E265-R277 IonicContact OE2-CZ 3.04Å; E265-R277 IonicContact OE2-NH1 3.97Å; E265-R277 PolarHBondContact OE2-NH1 2.87Å; E265-G279 WeakPolarHBondContact OE2-CA 3.32Å; E265-L280 VanDerWaalsContact CD-N 3.32Å; E265-L280 HydrophobicContact CG-CB 4.13Å; E265-L280 WeakPolarHBondContact OE1-CB 3.48Å; E265-L280 PolarHBondContact OE1-N 3.36Å; E265-L280 VanDerWaalsContact OE1-N 3.13Å; E265-E281 HydrophobicContact CB-CG 4.04Å; E265-E281 HydrophobicContact CG-CG 4.46Å; E265-N316 WeakPolarHBondContact OE1-CB 3.41Å; E265-N316 PolarHBondContact OE1-ND2 3.07Å
266	E	95.4	Very high	93.5	Very high	86 Å²	86	42.8 Å²	42.8	40%	0.402	21%	0.211	S	C	.	.	H	α-helix	trans	-61.6	-37.8	175.9	-69.3	-176.2	-161.2	0	0	112.1	T262 R263 Q269 K270	T262-E266 PolarHBondContact O-N 2.76Å; T262-E266 VanDerWaalsContact O-N 3.14Å; R263-E266 IonicContact CZ-OE2 2.81Å; R263-E266 VanDerWaalsContact CZ-OE2 3.31Å; R263-E266 IonicContact NE-OE2 2.93Å; R263-E266 IonicContact NH1-OE2 3.21Å; R263-E266 PolarHBondContact NH1-OE2 3.38Å; R263-E266 IonicContact NH2-OE2 2.66Å; E266-Q269 PolarHBondContact O-N 3.26Å; E266-K270 VanDerWaalsContact O-CB 3.31Å; E266-K270 WeakPolarHBondContact O-CB 3.41Å; E266-K270 PolarHBondContact O-N 3.4Å
267	F	96.1	Very high	93.1	Very high	9 Å²	9	41.9 Å²	41.9	4%	0.039	20%	0.203	C	C	.	.	H	α-helix	trans	-63.6	-47.9	175.3	-173.9	-93.3	0	0	0	111.6	R263 F264 E265 Q269 K270 K271 W272 F330 C566 E567 F570	R263-F267 VanDerWaalsContact O-CB 3.26Å; R263-F267 WeakPolarHBondContact O-CB 3.24Å; R263-F267 PolarHBondContact O-N 3.38Å; F264-F267 WeakPolarHBondContact O-CB 3.2Å; F264-F267 PolarHBondContact O-N 3.26Å; E265-F267 VanDerWaalsContact C-N 3.28Å; E265-F267 PolarHBondContact O-N 3.24Å; F267-Q269 VanDerWaalsContact C-N 3.34Å; F267-Q269 PolarHBondContact O-N 3.05Å; F267-K270 PolarHBondContact O-N 3.49Å; F267-K271 HydrophobicContact CD1-CG 4.16Å; F267-K271 HydrophobicContact CE1-CG 3.76Å; F267-K271 VanDerWaalsContact CE2-CE 3.48Å; F267-K271 HydrophobicContact CE2-CG 4.27Å; F267-K271 HydrophobicContact CZ-CD 4.28Å; F267-K271 HydrophobicContact CZ-CG 3.83Å; F267-K271 WeakPolarHBondContact O-CG 3.38Å; F267-K271 PolarHBondContact O-N 3.06Å; F267-W272 HydrophobicContact CE1-CZ3 4.38Å; F267-F330 HydrophobicContact CD1-CE1 4.27Å; F267-F330 HydrophobicContact CD1-CE2 4.41Å; F267-F330 AromaticContact CD1-CZ 3.84Å; F267-F330 HydrophobicContact CD1-CZ 3.84Å; F267-F330 HydrophobicContact CE1-CD2 4.47Å; F267-F330 HydrophobicContact CE1-CE1 4.26Å; F267-F330 AromaticContact CE1-CE2 3.78Å; F267-F330 HydrophobicContact CE1-CE2 3.78Å; F267-F330 AromaticContact CE1-CZ 3.67Å; F267-F330 HydrophobicContact CE1-CZ 3.67Å; F267-C566 HydrophobicContact CB-CB 4.49Å; F267-C566 HydrophobicContact CD1-CB 4Å; F267-C566 HydrophobicContact CD2-CB 3.58Å; F267-C566 HydrophobicContact CE1-CB 4.06Å; F267-C566 HydrophobicContact CE2-CB 3.64Å; F267-C566 HydrophobicContact CG-CB 3.76Å; F267-C566 HydrophobicContact CZ-CB 3.88Å; F267-C566 WeakPolarHBondContact CZ-O 3.2Å; F267-E567 HydrophobicContact CE2-CG 3.93Å; F267-F570 HydrophobicContact CE1-CB 4.11Å; F267-F570 HydrophobicContact CZ-CB 3.69Å; F267-F570 HydrophobicContact CZ-CG 4.16Å
268	L	93.8	Very high	92.9	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-59.3	-46.2	176.2	-68.2	-173.5	0	0	0	111.2	F264 E265 K270 K271 W272 L315 F330 F333	F264-L268 HydrophobicContact CD1-CD1 4.14Å; F264-L268 HydrophobicContact CD1-CG 4.47Å; F264-L268 HydrophobicContact CE1-CD1 3.53Å; F264-L268 HydrophobicContact CE1-CG 4.11Å; F264-L268 HydrophobicContact CZ-CD1 3.91Å; F264-L268 HydrophobicContact CZ-CD2 4.29Å; F264-L268 HydrophobicContact CZ-CG 4.2Å; F264-L268 WeakPolarHBondContact O-CG 3.32Å; F264-L268 PolarHBondContact O-N 3.3Å; E265-L268 PolarHBondContact O-N 3.23Å; L268-K270 VanDerWaalsContact C-N 3.3Å; L268-K270 PolarHBondContact O-N 3Å; L268-K271 PolarHBondContact O-N 3.24Å; L268-W272 HydrophobicContact CD2-CE3 3.76Å; L268-W272 HydrophobicContact CD2-CZ3 3.54Å; L268-W272 PolarHBondContact O-N 2.93Å; L268-L315 HydrophobicContact CD1-CB 4.49Å; L268-L315 HydrophobicContact CD1-CD1 4.14Å; L268-F330 HydrophobicContact CD2-CD1 4.13Å; L268-F330 HydrophobicContact CD2-CE1 3.76Å; L268-F333 HydrophobicContact CD2-CE2 4.31Å; L268-F333 HydrophobicContact CD2-CZ 4.18Å
269	Q	92.3	Very high	92.5	Very high	59 Å²	59	41.5 Å²	41.5	28%	0.276	20%	0.203	S	C	.	.	H	α-helix	trans	-60.4	-39.6	178.2	-174.3	59.7	26.2	0	0	112.2	E265 E266 F267 S273	E265-Q269 WeakPolarHBondContact O-CB 3.49Å; E265-Q269 PolarHBondContact O-N 3.33Å; E266-Q269 PolarHBondContact O-N 3.26Å; F267-Q269 VanDerWaalsContact C-N 3.34Å; F267-Q269 PolarHBondContact O-N 3.05Å; Q269-S273 WeakPolarHBondContact O-CA 3.43Å; Q269-S273 WeakPolarHBondContact O-CB 3.39Å; Q269-S273 PolarHBondContact O-N 3.22Å
270	K	93.9	Very high	92.4	Very high	155 Å²	155	41.5 Å²	41.5	67%	0.674	20%	0.203	S	C	*	.	H	α-helix	trans	-68.8	-39.9	179.1	-177.5	-176.5	177.3	-171.2	0	112.4	E266 F267 L268	E266-K270 VanDerWaalsContact O-CB 3.31Å; E266-K270 WeakPolarHBondContact O-CB 3.41Å; E266-K270 PolarHBondContact O-N 3.4Å; F267-K270 PolarHBondContact O-N 3.49Å; L268-K270 VanDerWaalsContact C-N 3.3Å; L268-K270 PolarHBondContact O-N 3Å
271	K	93.3	Very high	92.3	Very high	61 Å²	61	39.8 Å²	39.8	27%	0.265	20%	0.197	S	C	.	.	H	α-helix	trans	-85.1	-34.9	-176.4	-64.1	-60.1	-170	-176.3	0	113	F267 L268 E567 F570	F267-K271 HydrophobicContact CD1-CG 4.16Å; F267-K271 HydrophobicContact CE1-CG 3.76Å; F267-K271 VanDerWaalsContact CE2-CE 3.48Å; F267-K271 HydrophobicContact CE2-CG 4.27Å; F267-K271 HydrophobicContact CZ-CD 4.28Å; F267-K271 HydrophobicContact CZ-CG 3.83Å; F267-K271 WeakPolarHBondContact O-CG 3.38Å; F267-K271 PolarHBondContact O-N 3.06Å; L268-K271 PolarHBondContact O-N 3.24Å; K271-E567 WeakPolarHBondContact CE-OE1 3.37Å; K271-E567 WeakPolarHBondContact CE-OE2 3.22Å; K271-E567 VanDerWaalsContact NZ-CD 3.26Å; K271-E567 IonicContact NZ-OE1 3.67Å; K271-E567 PolarHBondContact NZ-OE1 2.93Å; K271-E567 IonicContact NZ-OE2 3.12Å; K271-E567 PolarHBondContact NZ-OE2 3.48Å; K271-F570 HydrophobicContact CD-CD1 4.4Å; K271-F570 HydrophobicContact CD-CE1 4.12Å; K271-F570 HydrophobicContact CD-CE2 4.49Å; K271-F570 HydrophobicContact CD-CZ 4.17Å
272	W	91.1	Very high	92.3	Very high	40 Å²	40	39.8 Å²	39.8	15%	0.152	20%	0.197	C	C	.	.			trans	-136.1	61	-172.7	-58.3	-78.1	0	0	0	112.4	F267 L268 A274 E275 F330 F333 F570	F267-W272 HydrophobicContact CE1-CZ3 4.38Å; L268-W272 HydrophobicContact CD2-CE3 3.76Å; L268-W272 HydrophobicContact CD2-CZ3 3.54Å; L268-W272 PolarHBondContact O-N 2.93Å; W272-A274 PolarHBondContact O-N 2.72Å; W272-A274 VanDerWaalsContact O-N 3.17Å; W272-E275 HydrophobicContact CB-CB 3.95Å; W272-E275 HydrophobicContact CB-CG 4.03Å; W272-E275 PolarHBondContact O-N 3.13Å; W272-F330 HydrophobicContact CH2-CB 3.73Å; W272-F330 AromaticContact CH2-CD1 3.73Å; W272-F330 HydrophobicContact CH2-CD1 3.73Å; W272-F330 HydrophobicContact CH2-CE1 4.5Å; W272-F330 AromaticContact CH2-CG 3.75Å; W272-F330 HydrophobicContact CH2-CG 3.75Å; W272-F330 HydrophobicContact CZ2-CB 4.34Å; W272-F330 AromaticContact CZ3-CD1 3.86Å; W272-F330 HydrophobicContact CZ3-CD1 3.86Å; W272-F330 HydrophobicContact CZ3-CE1 4.28Å; W272-F330 HydrophobicContact CZ3-CG 4.33Å; W272-F333 HydrophobicContact CB-CD1 4Å; W272-F333 HydrophobicContact CB-CE1 4.37Å; W272-F333 HydrophobicContact CD2-CB 3.87Å; W272-F333 AromaticContact CD2-CD1 3.8Å; W272-F333 HydrophobicContact CD2-CD1 3.8Å; W272-F333 HydrophobicContact CD2-CD2 4.45Å; W272-F333 HydrophobicContact CD2-CE1 4.42Å; W272-F333 AromaticContact CD2-CG 3.81Å; W272-F333 HydrophobicContact CD2-CG 3.81Å; W272-F333 AromaticContact CE2-CG 3.82Å; W272-F333 HydrophobicContact CE3-CD1 4.21Å; W272-F333 HydrophobicContact CE3-CD2 4.45Å; W272-F333 HydrophobicContact CE3-CE1 4.43Å; W272-F333 HydrophobicContact CE3-CG 4.21Å; W272-F333 HydrophobicContact CG-CB 4.05Å; W272-F333 AromaticContact CG-CD1 3.71Å; W272-F333 HydrophobicContact CG-CD1 3.71Å; W272-F333 HydrophobicContact CG-CE1 4.42Å; W272-F333 HydrophobicContact CG-CG 4.09Å; W272-F333 HydrophobicContact CH2-CD2 4.47Å; W272-F333 HydrophobicContact CZ2-CB 3.8Å; W272-F333 HydrophobicContact CZ2-CD2 4.42Å; W272-F333 HydrophobicContact CZ2-CG 4.21Å; W272-F333 HydrophobicContact CZ3-CD2 4.49Å; W272-F333 VanDerWaalsContact NE1-CB 3.28Å; W272-F570 AromaticContact CH2-CD2 3.7Å; W272-F570 HydrophobicContact CH2-CD2 3.7Å; W272-F570 AromaticContact CH2-CE2 3.91Å; W272-F570 HydrophobicContact CH2-CE2 3.91Å; W272-F570 AromaticContact CZ2-CD2 3.83Å; W272-F570 HydrophobicContact CZ2-CD2 3.83Å; W272-F570 AromaticContact CZ2-CE2 3.57Å; W272-F570 HydrophobicContact CZ2-CE2 3.57Å
273	S	86.4	Confident	92.3	Very high	77 Å²	77	39.5 Å²	39.5	54%	0.538	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-21.3	-175	61.9	0	0	0	0	115.4	Q269	Q269-S273 WeakPolarHBondContact O-CA 3.43Å; Q269-S273 WeakPolarHBondContact O-CB 3.39Å; Q269-S273 PolarHBondContact O-N 3.22Å
274	A	83.9	Confident	92.3	Very high	66 Å²	66	37.1 Å²	37.1	55%	0.545	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-6.4	-179.2	0	0	0	0	0	113.4	W272	W272-A274 PolarHBondContact O-N 2.72Å; W272-A274 VanDerWaalsContact O-N 3.17Å
275	E	85.2	Confident	92.3	Very high	80 Å²	80	37.1 Å²	37.1	37%	0.374	19%	0.187	S	C	.	.	S	Bend	trans	-89.1	135	-176.5	-79	-69.4	136.9	0	0	111.4	W272 R277 F333 K348	W272-E275 HydrophobicContact CB-CB 3.95Å; W272-E275 HydrophobicContact CB-CG 4.03Å; W272-E275 PolarHBondContact O-N 3.13Å; E275-R277 PolarHBondContact O-N 2.88Å; E275-F333 HydrophobicContact CB-CD1 4.06Å; E275-F333 HydrophobicContact CB-CE1 4.15Å; E275-F333 HydrophobicContact CG-CD1 4.06Å; E275-K348 IonicContact OE2-NZ 2.83Å; E275-K348 PolarHBondContact OE2-NZ 3.42Å; E275-K348 VanDerWaalsContact OE2-NZ 3.11Å
276	K	85.4	Confident	92.4	Very high	88 Å²	88	37 Å²	37	38%	0.383	19%	0.186	S	C	.	.			trans	-70.6	123.8	171	-61.6	-173.3	-178.3	179.4	0	109.1	N514 E515 M516	K276-N514 HydrophobicContact CD-CB 4.01Å; K276-N514 HydrophobicContact CG-CB 4.08Å; K276-E515 WeakPolarHBondContact CA-OE2 3.43Å; K276-M516 HydrophobicContact CD-CE 4.29Å; K276-M516 HydrophobicContact CG-CE 3.91Å
277	R	87.1	Confident	92.5	Very high	4 Å²	4	33 Å²	33	2%	0.015	17%	0.168	C	C	.	.			trans	-129.9	-15.5	179	60.6	178.6	170.2	88.1	13.8	114	E265 E275 E281 L315 E515	E265-R277 IonicContact OE2-CZ 3.04Å; E265-R277 IonicContact OE2-NH1 3.97Å; E265-R277 PolarHBondContact OE2-NH1 2.87Å; E275-R277 PolarHBondContact O-N 2.88Å; R277-E281 IonicContact CZ-OE1 3.31Å; R277-E281 IonicContact CZ-OE2 2.55Å; R277-E281 IonicContact NH1-OE1 3.24Å; R277-E281 PolarHBondContact NH1-OE1 3.47Å; R277-E281 IonicContact NH1-OE2 3.47Å; R277-E281 PolarHBondContact NH1-OE2 3.34Å; R277-E281 IonicContact NH2-OE1 2.58Å; R277-E281 PolarHBondContact NH2-OE1 3.07Å; R277-E281 IonicContact NH2-OE2 3.96Å; R277-L315 HydrophobicContact CB-CD1 4.22Å; R277-E515 HydrophobicContact CG-CG 4.21Å; R277-E515 VanDerWaalsContact CG-OE1 3.3Å; R277-E515 WeakPolarHBondContact CG-OE1 3.49Å; R277-E515 PolarHBondContact N-OE2 3.18Å
278	F	90.3	Very high	92.5	Very high	25 Å²	25	32.6 Å²	32.6	11%	0.11	17%	0.166	C	C	.	.			trans	56.2	52.7	-176.2	-55.9	-81.9	0	0	0	111.3	G313 Y349 H513 N514 E515	F278-G313 PolarHBondContact O-N 2.95Å; F278-Y349 HydrophobicContact CD2-CD1 4.13Å; F278-Y349 HydrophobicContact CD2-CD2 4.34Å; F278-Y349 HydrophobicContact CD2-CE1 4.12Å; F278-Y349 HydrophobicContact CD2-CE2 4.3Å; F278-Y349 HydrophobicContact CD2-CG 4.26Å; F278-Y349 HydrophobicContact CE2-CD1 4.3Å; F278-Y349 HydrophobicContact CE2-CD2 4.25Å; F278-Y349 AromaticContact CE2-CE1 3.85Å; F278-Y349 HydrophobicContact CE2-CE1 3.85Å; F278-Y349 AromaticContact CE2-CE2 3.77Å; F278-Y349 HydrophobicContact CE2-CE2 3.77Å; F278-Y349 HydrophobicContact CE2-CG 4.5Å; F278-Y349 AromaticContact CE2-CZ 3.58Å; F278-H513 WeakPolarHBondContact CD1-O 3.43Å; F278-H513 AromaticContact CE1-NE2 3.91Å; F278-N514 HydrophobicContact CE1-CB 4.32Å; F278-E515 WeakPolarHBondContact CA-OE1 3.43Å; F278-E515 PolarHBondContact N-OE1 3.49Å; F278-E515 PolarHBondContact N-OE2 3.24Å
279	G	90.5	Very high	92.7	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.01	17%	0.166	C	C	.	.			trans	-57.6	163.7	-172.6	0	0	0	0	0	114.7	E265 E281 R312 E515	E265-G279 WeakPolarHBondContact OE2-CA 3.32Å; G279-E281 VanDerWaalsContact C-OE2 3.23Å; G279-E281 VanDerWaalsContact CA-OE2 3.28Å; G279-E281 WeakPolarHBondContact CA-OE2 3.42Å; G279-R312 WeakPolarHBondContact O-CD 3.28Å; G279-R312 PolarHBondContact O-NE 2.79Å; G279-R312 PolarHBondContact O-NH1 3.11Å; G279-R312 PolarHBondContact O-NH2 3.05Å; G279-E515 PolarHBondContact N-OE1 3.39Å
280	L	95.3	Very high	92.8	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.153	C	C	.	.			trans	-89.9	3.9	-176.9	-168.9	55.8	0	0	0	114.1	E265 G282 C283 L286 I287 N316	E265-L280 VanDerWaalsContact CD-N 3.32Å; E265-L280 HydrophobicContact CG-CB 4.13Å; E265-L280 WeakPolarHBondContact OE1-CB 3.48Å; E265-L280 PolarHBondContact OE1-N 3.36Å; E265-L280 VanDerWaalsContact OE1-N 3.13Å; L280-G282 PolarHBondContact O-N 3.01Å; L280-C283 HydrophobicContact CD1-CB 3.94Å; L280-C283 WeakPolarHBondContact CD1-O 3.47Å; L280-C283 WeakPolarHBondContact CG-O 3.01Å; L280-C283 CarbonylContact O-C 3.28Å; L280-C283 PolarHBondContact O-N 3.06Å; L280-L286 HydrophobicContact CD1-CB 4Å; L280-L286 HydrophobicContact CD1-CD2 3.61Å; L280-L286 HydrophobicContact CD1-CG 4.45Å; L280-L286 HydrophobicContact CD2-CB 4.06Å; L280-L286 HydrophobicContact CD2-CD2 4.26Å; L280-I287 HydrophobicContact CD2-CD1 4.13Å; L280-I287 HydrophobicContact CD2-CG1 3.83Å; L280-N316 HydrophobicContact CD2-CB 4.26Å
281	E	95.6	Very high	92.9	Very high	21 Å²	21	24 Å²	24	10%	0.098	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	126.2	-171.3	-61.1	95.1	144.1	0	0	113.1	E265 R277 G279 E284 R312 R510	E265-E281 HydrophobicContact CB-CG 4.04Å; E265-E281 HydrophobicContact CG-CG 4.46Å; R277-E281 IonicContact CZ-OE1 3.31Å; R277-E281 IonicContact CZ-OE2 2.55Å; R277-E281 IonicContact NH1-OE1 3.24Å; R277-E281 PolarHBondContact NH1-OE1 3.47Å; R277-E281 IonicContact NH1-OE2 3.47Å; R277-E281 PolarHBondContact NH1-OE2 3.34Å; R277-E281 IonicContact NH2-OE1 2.58Å; R277-E281 PolarHBondContact NH2-OE1 3.07Å; R277-E281 IonicContact NH2-OE2 3.96Å; G279-E281 VanDerWaalsContact C-OE2 3.23Å; G279-E281 VanDerWaalsContact CA-OE2 3.28Å; G279-E281 WeakPolarHBondContact CA-OE2 3.42Å; E281-E284 WeakPolarHBondContact CA-OE1 3.39Å; E281-R312 PolarHBondContact O-NH2 3.22Å; E281-R510 HydrophobicContact CB-CB 3.68Å; E281-R510 HydrophobicContact CB-CG 4.45Å; E281-R510 PolarHBondContact O-N 2.93Å
282	G	95.4	Very high	93	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.1	-1	-170.6	0	0	0	0	0	114.6	L280 E284 C507 Y508	L280-G282 PolarHBondContact O-N 3.01Å; G282-E284 WeakPolarHBondContact CA-OE2 3.48Å; G282-E284 PolarHBondContact N-OE1 2.81Å; G282-E284 PolarHBondContact N-OE2 3.33Å; G282-E284 VanDerWaalsContact N-OE2 3.08Å; G282-C507 VanDerWaalsContact O-CB 3.31Å; G282-C507 WeakPolarHBondContact O-CB 3.49Å; G282-Y508 CarbonylContact C-O 3.28Å; G282-Y508 VanDerWaalsContact C-O 3.28Å; G282-Y508 WeakPolarHBondContact CA-O 3.22Å; G282-Y508 PolarHBondContact O-N 3.23Å
283	C	97.1	Very high	93.1	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.11	C	C	.	.			trans	-143.9	35.7	172.7	-162.5	0	0	0	0	112	L280 S285 L286 V442 C507	L280-C283 HydrophobicContact CD1-CB 3.94Å; L280-C283 WeakPolarHBondContact CD1-O 3.47Å; L280-C283 WeakPolarHBondContact CG-O 3.01Å; L280-C283 CarbonylContact O-C 3.28Å; L280-C283 PolarHBondContact O-N 3.06Å; C283-S285 PolarHBondContact O-N 2.91Å; C283-L286 WeakPolarHBondContact O-CB 3.44Å; C283-L286 PolarHBondContact O-N 3.48Å; C283-V442 HydrophobicContact CB-CG1 4.19Å; C283-C507 HydrophobicContact CB-CB 3.79Å; C283-C507 VanDerWaalsContact CB-SG 3.5Å
284	E	97.1	Very high	93.4	Very high	6 Å²	6	16.2 Å²	16.2	3%	0.028	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-22.2	-176.2	-63.7	87.1	164.4	0	0	112.6	M258 S261 E281 G282 L286 I287 P288	M258-E284 HydrophobicContact CE-CB 4.07Å; S261-E284 WeakPolarHBondContact CB-O 3.48Å; S261-E284 WeakPolarHBondContact OG-CA 3.31Å; S261-E284 PolarHBondContact OG-O 3.01Å; E281-E284 WeakPolarHBondContact CA-OE1 3.39Å; G282-E284 WeakPolarHBondContact CA-OE2 3.48Å; G282-E284 PolarHBondContact N-OE1 2.81Å; G282-E284 PolarHBondContact N-OE2 3.33Å; G282-E284 VanDerWaalsContact N-OE2 3.08Å; E284-L286 PolarHBondContact O-N 3.37Å; E284-I287 PolarHBondContact O-N 3.49Å; E284-P288 WeakPolarHBondContact O-CD 3.45Å
285	S	97.6	Very high	93.7	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-12.7	173.5	-59.6	0	0	0	0	114.6	C283 I287 P288 A289 A477	C283-S285 PolarHBondContact O-N 2.91Å; S285-I287 VanDerWaalsContact C-N 3.27Å; S285-I287 PolarHBondContact O-N 2.89Å; S285-P288 WeakPolarHBondContact O-CD 3.46Å; S285-P288 VanDerWaalsContact O-CG 3.24Å; S285-P288 WeakPolarHBondContact O-CG 3.49Å; S285-A289 WeakPolarHBondContact O-CB 3.29Å; S285-A289 PolarHBondContact O-N 2.91Å; S285-A477 VanDerWaalsContact CB-O 3.31Å; S285-A477 WeakPolarHBondContact CB-O 3.37Å; S285-A477 PolarHBondContact OG-O 3.08Å
286	L	97.6	Very high	93.9	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-59	-37	173.2	176.7	65.4	0	0	0	112.5	L280 C283 E284 A289 L290 V317 L408 V440 V442 L505	L280-L286 HydrophobicContact CD1-CB 4Å; L280-L286 HydrophobicContact CD1-CD2 3.61Å; L280-L286 HydrophobicContact CD1-CG 4.45Å; L280-L286 HydrophobicContact CD2-CB 4.06Å; L280-L286 HydrophobicContact CD2-CD2 4.26Å; C283-L286 WeakPolarHBondContact O-CB 3.44Å; C283-L286 PolarHBondContact O-N 3.48Å; E284-L286 PolarHBondContact O-N 3.37Å; L286-A289 WeakPolarHBondContact O-CB 3.01Å; L286-A289 PolarHBondContact O-N 3.07Å; L286-L290 HydrophobicContact CD1-CD1 4.07Å; L286-L290 HydrophobicContact CD1-CG 4.12Å; L286-L290 HydrophobicContact CG-CD1 4.07Å; L286-L290 HydrophobicContact CG-CG 4.49Å; L286-L290 WeakPolarHBondContact O-CG 3.39Å; L286-L290 PolarHBondContact O-N 2.86Å; L286-V317 HydrophobicContact CD2-CG2 4.39Å; L286-L408 HydrophobicContact CD1-CD2 4Å; L286-V440 HydrophobicContact CD1-CG1 3.85Å; L286-V442 HydrophobicContact CD1-CG2 4.12Å; L286-V442 HydrophobicContact CD2-CG2 3.99Å; L286-L505 HydrophobicContact CB-CD1 4.34Å; L286-L505 HydrophobicContact CD1-CD1 3.81Å
287	I	97.2	Very high	93.6	Very high	2 Å²	2	11 Å²	11	1%	0.01	5%	0.052	C	C	.	.	H	α-helix	trans	-66.7	-51	-179.2	-59.3	-60.2	0	0	0	112	S261 L280 E284 S285 A289 K291 N316 V317 N320 V321	S261-I287 WeakPolarHBondContact OG-CG1 3.43Å; L280-I287 HydrophobicContact CD2-CD1 4.13Å; L280-I287 HydrophobicContact CD2-CG1 3.83Å; E284-I287 PolarHBondContact O-N 3.49Å; S285-I287 VanDerWaalsContact C-N 3.27Å; S285-I287 PolarHBondContact O-N 2.89Å; I287-A289 VanDerWaalsContact C-N 3.3Å; I287-A289 PolarHBondContact O-N 3.02Å; I287-K291 WeakPolarHBondContact O-CB 3.31Å; I287-K291 VanDerWaalsContact O-CG 3.22Å; I287-K291 WeakPolarHBondContact O-CG 3.34Å; I287-K291 PolarHBondContact O-N 3.49Å; I287-N316 HydrophobicContact CD1-CB 4.03Å; I287-N316 WeakPolarHBondContact CD1-OD1 3.16Å; I287-N316 WeakPolarHBondContact CG1-OD1 3.29Å; I287-V317 HydrophobicContact CD1-CG2 4.07Å; I287-N320 HydrophobicContact CG2-CB 3.9Å; I287-V321 HydrophobicContact CD1-CG2 3.89Å; I287-V321 HydrophobicContact CG2-CG2 4.24Å
288	P	96.8	Very high	92.6	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-64.2	-31.9	172	21.3	-29.6	0	0	0	113.3	L254 R257 M258 E284 S285 K291 T292	L254-P288 HydrophobicContact CD1-CB 3.43Å; L254-P288 VanDerWaalsContact CD1-CB 3.43Å; L254-P288 HydrophobicContact CD1-CG 3.91Å; R257-P288 HydrophobicContact CB-CB 4.06Å; M258-P288 HydrophobicContact CG-CG 4.35Å; M258-P288 HydrophobicContact SD-CG 3.6Å; M258-P288 VanDerWaalsContact SD-CG 3.6Å; E284-P288 WeakPolarHBondContact O-CD 3.45Å; S285-P288 WeakPolarHBondContact O-CD 3.46Å; S285-P288 VanDerWaalsContact O-CG 3.24Å; S285-P288 WeakPolarHBondContact O-CG 3.49Å; P288-K291 PolarHBondContact O-N 2.83Å; P288-T292 WeakPolarHBondContact O-CB 3.44Å; P288-T292 PolarHBondContact O-N 3.34Å; P288-T292 PolarHBondContact O-OG1 3.25Å
289	A	97.2	Very high	90.9	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-55.4	-57	173.3	0	0	0	0	0	111.5	S285 L286 I287 K291 T292 I293 V483 C487 L505	S285-A289 WeakPolarHBondContact O-CB 3.29Å; S285-A289 PolarHBondContact O-N 2.91Å; L286-A289 WeakPolarHBondContact O-CB 3.01Å; L286-A289 PolarHBondContact O-N 3.07Å; I287-A289 VanDerWaalsContact C-N 3.3Å; I287-A289 PolarHBondContact O-N 3.02Å; A289-K291 PolarHBondContact O-N 3.11Å; A289-T292 PolarHBondContact O-N 2.95Å; A289-T292 VanDerWaalsContact O-N 3.15Å; A289-I293 WeakPolarHBondContact O-CG1 3.42Å; A289-I293 PolarHBondContact O-N 3.26Å; A289-V483 HydrophobicContact CB-CG1 3.65Å; A289-C487 VanDerWaalsContact CB-SG 3.51Å; A289-L505 HydrophobicContact CB-CD1 4.33Å
290	L	96.1	Very high	89.2	Confident	3 Å²	3	15.8 Å²	15.8	2%	0.016	9%	0.088	C	C	.	.	H	α-helix	trans	-64	-40.5	-179.1	-67.2	172.1	0	0	0	112.8	L286 T292 I293 I294 V317 V321 I406 L408 V440	L286-L290 HydrophobicContact CD1-CD1 4.07Å; L286-L290 HydrophobicContact CD1-CG 4.12Å; L286-L290 HydrophobicContact CG-CD1 4.07Å; L286-L290 HydrophobicContact CG-CG 4.49Å; L286-L290 WeakPolarHBondContact O-CG 3.39Å; L286-L290 PolarHBondContact O-N 2.86Å; L290-T292 VanDerWaalsContact C-N 3.3Å; L290-T292 PolarHBondContact O-N 3.25Å; L290-I293 HydrophobicContact CD2-CD1 4.46Å; L290-I293 PolarHBondContact O-N 2.78Å; L290-I294 WeakPolarHBondContact O-CD1 3.28Å; L290-I294 VanDerWaalsContact O-CG1 3.25Å; L290-I294 WeakPolarHBondContact O-CG1 3.47Å; L290-I294 PolarHBondContact O-N 3.27Å; L290-V317 HydrophobicContact CD1-CG1 4.28Å; L290-V317 HydrophobicContact CD1-CG2 3.78Å; L290-V321 HydrophobicContact CB-CG1 4.16Å; L290-V321 HydrophobicContact CB-CG2 4.07Å; L290-V321 HydrophobicContact CD1-CG2 4.13Å; L290-I406 HydrophobicContact CD2-CG2 3.86Å; L290-L408 HydrophobicContact CD1-CD1 4Å; L290-L408 HydrophobicContact CD1-CD2 4.21Å; L290-L408 HydrophobicContact CD2-CD2 3.65Å; L290-L408 HydrophobicContact CD2-CG 4.46Å; L290-L408 HydrophobicContact CG-CD2 4.36Å; L290-V440 HydrophobicContact CD2-CG2 4.36Å
291	K	94.4	Very high	87.2	Confident	30 Å²	30	20.9 Å²	20.9	13%	0.13	12%	0.12	C	C	.	.	H	α-helix	trans	-59	-44.1	174.3	-75.6	-79.6	-156.1	-179.1	0	111.4	R257 I287 P288 A289 I294 D295 N320	R257-K291 VanDerWaalsContact NH1-CB 3.26Å; I287-K291 WeakPolarHBondContact O-CB 3.31Å; I287-K291 VanDerWaalsContact O-CG 3.22Å; I287-K291 WeakPolarHBondContact O-CG 3.34Å; I287-K291 PolarHBondContact O-N 3.49Å; P288-K291 PolarHBondContact O-N 2.83Å; A289-K291 PolarHBondContact O-N 3.11Å; K291-I294 PolarHBondContact O-N 3.05Å; K291-D295 WeakPolarHBondContact O-CB 3.45Å; K291-D295 PolarHBondContact O-N 3.06Å; K291-D295 VanDerWaalsContact O-OD2 3.11Å; K291-N320 WeakPolarHBondContact CE-O 3.45Å; K291-N320 PolarHBondContact NZ-O 3.3Å
292	T	95	Very high	85.3	Confident	7 Å²	7	21.2 Å²	21.2	4%	0.043	13%	0.129	C	C	.	.	H	α-helix	trans	-66.1	-41.4	-179.6	-59.8	0	0	0	0	111.5	P288 A289 L290 I294 D295 K296 T484 C487 K488	P288-T292 WeakPolarHBondContact O-CB 3.44Å; P288-T292 PolarHBondContact O-N 3.34Å; P288-T292 PolarHBondContact O-OG1 3.25Å; A289-T292 PolarHBondContact O-N 2.95Å; A289-T292 VanDerWaalsContact O-N 3.15Å; L290-T292 VanDerWaalsContact C-N 3.3Å; L290-T292 PolarHBondContact O-N 3.25Å; T292-I294 PolarHBondContact O-N 3.14Å; T292-D295 PolarHBondContact O-N 3.42Å; T292-K296 HydrophobicContact CG2-CG 4.18Å; T292-K296 WeakPolarHBondContact O-CB 3.37Å; T292-K296 WeakPolarHBondContact O-CG 3.44Å; T292-K296 PolarHBondContact O-N 2.97Å; T292-T484 HydrophobicContact CG2-CG2 3.96Å; T292-T484 WeakPolarHBondContact CG2-O 3.36Å; T292-C487 HydrophobicContact CG2-CB 4.29Å; T292-K488 HydrophobicContact CG2-CB 4.06Å
293	I	94.4	Very high	84.3	Confident	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-55.7	-53.7	172.2	-64.8	162	0	0	0	109.1	A289 L290 D295 K296 S297 M404 I406 V438 V440 C487 A491	A289-I293 WeakPolarHBondContact O-CG1 3.42Å; A289-I293 PolarHBondContact O-N 3.26Å; L290-I293 HydrophobicContact CD2-CD1 4.46Å; L290-I293 PolarHBondContact O-N 2.78Å; I293-D295 VanDerWaalsContact C-N 3.32Å; I293-D295 PolarHBondContact O-N 3.14Å; I293-K296 CarbonylContact O-C 3.31Å; I293-K296 PolarHBondContact O-N 3.17Å; I293-K296 VanDerWaalsContact O-N 3.16Å; I293-S297 PolarHBondContact O-N 3.43Å; I293-S297 PolarHBondContact O-OG 3.28Å; I293-M404 HydrophobicContact CG2-CE 4.46Å; I293-I406 HydrophobicContact CB-CD1 4.37Å; I293-I406 HydrophobicContact CG2-CD1 3.64Å; I293-I406 HydrophobicContact CG2-CG1 4.17Å; I293-V438 HydrophobicContact CD1-CG1 3.68Å; I293-V438 HydrophobicContact CG1-CG1 4.24Å; I293-V438 HydrophobicContact CG2-CB 4.43Å; I293-V438 HydrophobicContact CG2-CG1 4.32Å; I293-V438 HydrophobicContact CG2-CG2 4.36Å; I293-V440 HydrophobicContact CD1-CG2 3.75Å; I293-C487 HydrophobicContact CD1-CB 4.42Å; I293-C487 HydrophobicContact CG1-CB 3.9Å; I293-A491 HydrophobicContact CG2-CB 4.45Å
294	I	91.8	Very high	83.5	Confident	7 Å²	7	22.4 Å²	22.4	4%	0.036	14%	0.135	C	C	.	.	H	α-helix	trans	-59.8	-38	-179.7	-66.7	161.8	0	0	0	112.8	L290 K291 T292 L305 V321 I366 L368 I406	L290-I294 WeakPolarHBondContact O-CD1 3.28Å; L290-I294 VanDerWaalsContact O-CG1 3.25Å; L290-I294 WeakPolarHBondContact O-CG1 3.47Å; L290-I294 PolarHBondContact O-N 3.27Å; K291-I294 PolarHBondContact O-N 3.05Å; T292-I294 PolarHBondContact O-N 3.14Å; I294-L305 HydrophobicContact CG1-CD2 4.04Å; I294-V321 HydrophobicContact CD1-CG1 3.44Å; I294-V321 VanDerWaalsContact CD1-CG1 3.44Å; I294-I366 HydrophobicContact CG2-CD1 3.7Å; I294-L368 HydrophobicContact CD1-CD1 4.47Å; I294-L368 HydrophobicContact CD1-CD2 4.3Å; I294-I406 HydrophobicContact CG1-CD1 4.25Å
295	D	90.8	Very high	82.8	Confident	18 Å²	18	22.3 Å²	22.3	10%	0.096	13%	0.134	C	C	.	.	H	α-helix	trans	-73.5	-29	-179.8	-64.3	-26.8	0	0	0	112.8	R257 K291 T292 I293 N359 V361 T362	R257-D295 IonicContact CZ-OD2 2.76Å; R257-D295 IonicContact NH1-OD2 3.76Å; R257-D295 PolarHBondContact NH1-OD2 3.42Å; R257-D295 IonicContact NH2-OD1 3.29Å; R257-D295 IonicContact NH2-OD2 3.69Å; R257-D295 PolarHBondContact NH2-OD2 2.77Å; K291-D295 WeakPolarHBondContact O-CB 3.45Å; K291-D295 PolarHBondContact O-N 3.06Å; K291-D295 VanDerWaalsContact O-OD2 3.11Å; T292-D295 PolarHBondContact O-N 3.42Å; I293-D295 VanDerWaalsContact C-N 3.32Å; I293-D295 PolarHBondContact O-N 3.14Å; D295-N359 PolarHBondContact OD1-ND2 3.2Å; D295-N359 PolarHBondContact OD1-OD1 3.27Å; D295-V361 HydrophobicContact CB-CB 4.45Å; D295-V361 HydrophobicContact CB-CG1 4.36Å; D295-T362 WeakPolarHBondContact O-CG2 3.44Å
296	K	89.1	Confident	82.1	Confident	90 Å²	90	22.3 Å²	22.3	39%	0.391	13%	0.134	S	C	.	.	H	α-helix	trans	-100.1	-9.7	-178.8	-62.3	-62.1	-176.8	-172.4	0	113.1	T292 I293 K488 A491	T292-K296 HydrophobicContact CG2-CG 4.18Å; T292-K296 WeakPolarHBondContact O-CB 3.37Å; T292-K296 WeakPolarHBondContact O-CG 3.44Å; T292-K296 PolarHBondContact O-N 2.97Å; I293-K296 CarbonylContact O-C 3.31Å; I293-K296 PolarHBondContact O-N 3.17Å; I293-K296 VanDerWaalsContact O-N 3.16Å; K296-K488 HydrophobicContact CD-CG 4.25Å; K296-K488 HydrophobicContact CG-CB 4.19Å; K296-K488 HydrophobicContact CG-CG 4.02Å; K296-A491 HydrophobicContact CB-CB 3.85Å
297	S	80.2	Confident	81.5	Confident	16 Å²	16	22.5 Å²	22.5	11%	0.112	14%	0.135	C	C	.	.	S	Bend	trans	-51.5	135.2	171.3	-69.4	0	0	0	0	109.6	I293 G299 M404	I293-S297 PolarHBondContact O-N 3.43Å; I293-S297 PolarHBondContact O-OG 3.28Å; S297-G299 PolarHBondContact O-N 3.26Å; S297-M404 PolarHBondContact OG-SD 3.35Å
298	P	65	Low	80.8	Confident	35 Å²	35	22.4 Å²	22.4	23%	0.227	14%	0.135	C	C	.	.			trans	-58.7	142	176.9	24.8	-31	0	0	0	108.9	S303 A495	P298-S303 PolarHBondContact O-OG 2.83Å; P298-A495 HydrophobicContact CB-CB 4Å; P298-A495 HydrophobicContact CG-CB 3.6Å
299	G	55.4	Low	79.9	Confident	17 Å²	17	22.5 Å²	22.5	18%	0.175	14%	0.135	C	C	.	.			trans	-153.2	106.8	-176.2	0	0	0	0	0	114	S297 S303 R364	S297-G299 PolarHBondContact O-N 3.26Å; G299-S303 VanDerWaalsContact CA-OG 3.31Å; G299-S303 WeakPolarHBondContact CA-OG 3.49Å; G299-R364 PolarHBondContact O-NE 2.79Å; G299-R364 PolarHBondContact O-NH1 3.01Å
300	T	53.2	Low	78.8	Confident	80 Å²	80	23 Å²	23	49%	0.491	14%	0.138	S	C	.	.	S	Bend	trans	-67.7	160.5	141.3	55.8	0	0	0	0	109.1	G302 S303 R402	T300-G302 PolarHBondContact O-N 3.5Å; T300-S303 PolarHBondContact O-OG 3.32Å; T300-R402 WeakPolarHBondContact OG1-CG 3.33Å
301	T	53.6	Low	78	Confident	107 Å²	107	24.2 Å²	24.2	66%	0.656	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.5	127	173.6	-57.3	0	0	0	0	111.5
302	G	56.3	Low	77.8	Confident	28 Å²	28	23.9 Å²	23.9	29%	0.289	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	96.4	32.2	177.1	0	0	0	0	0	115.9	T300 N365	T300-G302 PolarHBondContact O-N 3.5Å; G302-N365 PolarHBondContact N-O 3.43Å
303	S	74.4	Confident	77.6	Confident	9 Å²	9	23.6 Å²	23.6	6%	0.063	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	144.8	175	-55	0	0	0	0	112.6	P298 G299 T300 I366 T367 R402	P298-S303 PolarHBondContact O-OG 2.83Å; G299-S303 VanDerWaalsContact CA-OG 3.31Å; G299-S303 WeakPolarHBondContact CA-OG 3.49Å; T300-S303 PolarHBondContact O-OG 3.32Å; S303-I366 WeakPolarHBondContact O-CA 3.38Å; S303-T367 PolarHBondContact O-N 3.44Å; S303-R402 CarbonylContact C-O 3.59Å; S303-R402 WeakPolarHBondContact CA-O 3.41Å; S303-R402 WeakPolarHBondContact CB-O 3.3Å
304	Y	79.4	Confident	77.5	Confident	16 Å²	16	23.6 Å²	23.6	6%	0.063	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	127	178.5	-168.1	-68.5	0	0	0	109.5	T306 Y354 T367 K387 E391 R402 V403 M404	Y304-T306 WeakPolarHBondContact CE1-OG1 3.49Å; Y304-Y354 HydrophobicContact CE2-CE2 4.03Å; Y304-T367 WeakPolarHBondContact CA-O 3.39Å; Y304-T367 HydrophobicContact CD2-CG2 3.58Å; Y304-T367 HydrophobicContact CE2-CG2 3.61Å; Y304-T367 HydrophobicContact CG-CG2 4.3Å; Y304-K387 WeakPolarHBondContact OH-CE 3.39Å; Y304-E391 HydrophobicContact CD1-CB 4.45Å; Y304-E391 HydrophobicContact CD1-CG 4.29Å; Y304-E391 HydrophobicContact CD2-CG 4.5Å; Y304-E391 HydrophobicContact CE1-CB 4.49Å; Y304-E391 HydrophobicContact CE1-CG 3.85Å; Y304-E391 VanDerWaalsContact CE2-CD 3.45Å; Y304-E391 HydrophobicContact CE2-CG 4.02Å; Y304-E391 WeakPolarHBondContact CE2-OE1 2.99Å; Y304-E391 VanDerWaalsContact CZ-CD 3.48Å; Y304-E391 PolarHBondContact OH-OE1 2.54Å; Y304-R402 PolarHBondContact N-O 3.05Å; Y304-V403 HydrophobicContact CD1-CG1 4.18Å; Y304-V403 HydrophobicContact CG-CG1 4.47Å; Y304-V403 VanDerWaalsContact O-CA 3.27Å; Y304-V403 WeakPolarHBondContact O-CA 3.39Å; Y304-M404 PolarHBondContact O-N 2.88Å
305	L	82.4	Confident	77.6	Confident	3 Å²	3	23.5 Å²	23.5	2%	0.016	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	119.4	173.8	-61.5	93	0	0	0	110.1	I294 T367 L368 S369 M404 I406	I294-L305 HydrophobicContact CG1-CD2 4.04Å; L305-T367 PolarHBondContact N-O 2.8Å; L305-L368 HydrophobicContact CB-CD2 3.82Å; L305-L368 HydrophobicContact CD1-CD2 3.94Å; L305-L368 HydrophobicContact CG-CD2 4.37Å; L305-L368 WeakPolarHBondContact O-CA 3.34Å; L305-S369 PolarHBondContact O-N 3Å; L305-M404 WeakPolarHBondContact CA-O 3.25Å; L305-M404 HydrophobicContact CD2-CG 3.77Å; L305-M404 HydrophobicContact CD2-SD 3.95Å; L305-M404 HydrophobicContact CG-CG 3.83Å; L305-I406 HydrophobicContact CD2-CD1 3.83Å; L305-I406 HydrophobicContact CD2-CG1 4.43Å
306	T	83.5	Confident	77.7	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	131.1	169.2	-40.7	0	0	0	0	108.5	Y304 S369 V371 V384 K387 T388 M404 S405 I406	Y304-T306 WeakPolarHBondContact CE1-OG1 3.49Å; T306-S369 CarbonylContact C-O 3.42Å; T306-V371 HydrophobicContact CG2-CG2 3.79Å; T306-V384 HydrophobicContact CG2-CB 4.34Å; T306-V384 HydrophobicContact CG2-CG1 3.79Å; T306-V384 HydrophobicContact CG2-CG2 4.23Å; T306-K387 HydrophobicContact CG2-CB 4.35Å; T306-K387 HydrophobicContact CG2-CD 4.01Å; T306-K387 HydrophobicContact CG2-CG 4.23Å; T306-T388 WeakPolarHBondContact CB-OG1 3.44Å; T306-T388 PolarHBondContact OG1-OG1 2.85Å; T306-M404 PolarHBondContact N-O 2.98Å; T306-S405 CarbonylContact O-C 3.56Å; T306-S405 VanDerWaalsContact O-CA 3.29Å; T306-S405 WeakPolarHBondContact O-CA 3.41Å; T306-I406 PolarHBondContact O-N 2.95Å
307	V	84.7	Confident	78	Confident	5 Å²	5	18.4 Å²	18.4	3%	0.03	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	132.5	-173.4	-175.8	0	0	0	0	108.9	S369 L370 V371 I406	V307-S369 PolarHBondContact N-O 2.86Å; V307-L370 HydrophobicContact CB-CD1 4.27Å; V307-L370 HydrophobicContact CG1-CD1 4.05Å; V307-L370 WeakPolarHBondContact O-CA 3.4Å; V307-V371 PolarHBondContact O-N 2.83Å; V307-V371 VanDerWaalsContact O-N 3.07Å; V307-I406 WeakPolarHBondContact CA-O 3.49Å; V307-I406 HydrophobicContact CG2-CB 4.45Å
308	S	83.9	Confident	78.6	Confident	0 Å²	0	17.6 Å²	17.6	0%	0	12%	0.115	C	C	.	.			trans	-94.6	157.9	161.1	81.9	0	0	0	0	110.1	I406 L407 L408	S308-I406 PolarHBondContact N-O 2.6Å; S308-L407 WeakPolarHBondContact OG-CA 3.38Å; S308-L407 VanDerWaalsContact OG-CD2 3.25Å; S308-L407 WeakPolarHBondContact OG-CD2 3.47Å; S308-L408 WeakPolarHBondContact O-CD1 3.46Å; S308-L408 WeakPolarHBondContact O-CG 3.14Å; S308-L408 PolarHBondContact OG-N 3.37Å; S308-L408 VanDerWaalsContact OG-N 3.14Å
309	N	76.6	Confident	79.9	Confident	1 Å²	1	16.1 Å²	16.1	1%	0.005	11%	0.105	C	C	.	.			trans	-148.2	136.1	164.5	-161	0.4	0	0	0	112.4	R314 V317 L370 N373 L408	N309-R314 HydrophobicContact CB-CG 4.17Å; N309-R314 VanDerWaalsContact ND2-CA 3.3Å; N309-R314 WeakPolarHBondContact ND2-CA 3.41Å; N309-R314 PolarHBondContact O-NH1 2.95Å; N309-V317 WeakPolarHBondContact ND2-CG2 3.5Å; N309-L370 HydrophobicContact CB-CD1 3.82Å; N309-N373 PolarHBondContact O-ND2 2.71Å; N309-N373 PolarHBondContact O-OD1 3.12Å; N309-L408 HydrophobicContact CB-CD1 3.77Å; N309-L408 VanDerWaalsContact OD1-CD1 3.28Å; N309-L408 WeakPolarHBondContact OD1-CD1 3.41Å
310	V	75.4	Confident	81.7	Confident	11 Å²	11	15.5 Å²	15.5	7%	0.067	10%	0.098	C	C	.	.			trans	-65.9	176.8	162.3	-68.1	0	0	0	0	110.8	R312 L377	V310-R312 VanDerWaalsContact C-N 3.26Å; V310-R312 HydrophobicContact CG2-CB 3.99Å; V310-R312 PolarHBondContact O-N 3.09Å; V310-L377 HydrophobicContact CG1-CD2 4.27Å
311	S	77.9	Confident	83.6	Confident	29 Å²	29	11.9 Å²	11.9	20%	0.203	8%	0.076	C	C	.	.	S	Bend	trans	-63.6	-31.5	177.2	55.3	0	0	0	0	113	G313 R314	S311-G313 PolarHBondContact O-N 3.15Å; S311-R314 PolarHBondContact O-N 2.98Å
312	R	90.4	Very high	85.3	Confident	22 Å²	22	6.8 Å²	6.8	8%	0.083	5%	0.045	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	114.8	-174	-170.7	69.1	175.2	164.3	13.3	112.2	G279 E281 V310 R314 V442 R509	G279-R312 WeakPolarHBondContact O-CD 3.28Å; G279-R312 PolarHBondContact O-NE 2.79Å; G279-R312 PolarHBondContact O-NH1 3.11Å; G279-R312 PolarHBondContact O-NH2 3.05Å; E281-R312 PolarHBondContact O-NH2 3.22Å; V310-R312 VanDerWaalsContact C-N 3.26Å; V310-R312 HydrophobicContact CG2-CB 3.99Å; V310-R312 PolarHBondContact O-N 3.09Å; R312-R314 PolarHBondContact O-N 2.83Å; R312-V442 HydrophobicContact CG-CG1 4.11Å; R312-R509 VanDerWaalsContact NH1-CD 3.32Å; R312-R509 VanDerWaalsContact NH1-CG 3.32Å
313	G	91.1	Very high	86.9	Confident	1 Å²	1	10 Å²	10	1%	0.01	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.4	14	177.5	0	0	0	0	0	114.8	F278 S311 L315 N316 V317	F278-G313 PolarHBondContact O-N 2.95Å; S311-G313 PolarHBondContact O-N 3.15Å; G313-L315 PolarHBondContact O-N 3.48Å; G313-N316 VanDerWaalsContact O-CB 3.28Å; G313-N316 WeakPolarHBondContact O-CB 3.46Å; G313-N316 PolarHBondContact O-N 3.32Å; G313-N316 VanDerWaalsContact O-N 3.07Å; G313-V317 PolarHBondContact O-N 2.84Å
314	R	92.8	Very high	87.6	Confident	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-61.3	-40.7	-174.2	-170.6	-175.5	177.2	99	-7.4	114.1	N309 S311 R312 N316 V317 L318 Y349 L351 L370 V371 N373	N309-R314 HydrophobicContact CB-CG 4.17Å; N309-R314 VanDerWaalsContact ND2-CA 3.3Å; N309-R314 WeakPolarHBondContact ND2-CA 3.41Å; N309-R314 PolarHBondContact O-NH1 2.95Å; S311-R314 PolarHBondContact O-N 2.98Å; R312-R314 PolarHBondContact O-N 2.83Å; R314-N316 PolarHBondContact O-N 3.26Å; R314-V317 PolarHBondContact O-N 3.16Å; R314-L318 HydrophobicContact CG-CD1 4.47Å; R314-L318 PolarHBondContact O-N 2.92Å; R314-Y349 VanDerWaalsContact CD-C 3.47Å; R314-Y349 WeakPolarHBondContact CD-O 2.89Å; R314-Y349 PolarHBondContact NE-O 3.48Å; R314-L351 PolarHBondContact NH2-O 3.35Å; R314-L370 HydrophobicContact CG-CD2 4.43Å; R314-V371 PolarHBondContact NH2-O 3.2Å; R314-N373 VanDerWaalsContact CZ-OD1 3.29Å; R314-N373 PolarHBondContact NH1-OD1 3.2Å; R314-N373 PolarHBondContact NH2-OD1 3.18Å
315	L	92.4	Very high	88	Confident	6 Å²	6	14.2 Å²	14.2	3%	0.031	7%	0.067	C	C	.	.	H	α-helix	trans	-61.9	-35.3	177.2	-60.1	-176.7	0	0	0	111.4	F264 L268 R277 G313 L318 A319 I329 F333 K348	F264-L315 HydrophobicContact CE1-CB 4.01Å; F264-L315 HydrophobicContact CZ-CB 4.37Å; L268-L315 HydrophobicContact CD1-CB 4.49Å; L268-L315 HydrophobicContact CD1-CD1 4.14Å; R277-L315 HydrophobicContact CB-CD1 4.22Å; G313-L315 PolarHBondContact O-N 3.48Å; L315-L318 HydrophobicContact CD2-CD1 4.35Å; L315-L318 PolarHBondContact O-N 3.22Å; L315-A319 WeakPolarHBondContact O-CB 3.27Å; L315-A319 PolarHBondContact O-N 3.08Å; L315-I329 HydrophobicContact CD2-CG2 4.37Å; L315-F333 HydrophobicContact CD1-CE2 4.16Å; L315-F333 HydrophobicContact CD1-CZ 3.65Å; L315-K348 HydrophobicContact CD1-CD 4.48Å; L315-K348 HydrophobicContact CD2-CG 4.46Å
316	N	94.9	Very high	88.4	Confident	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-69.4	-43	176.5	-153.7	-36.3	0	0	0	111.5	S261 F264 E265 L280 I287 G313 R314 L318 A319 N320	S261-N316 PolarHBondContact O-ND2 2.87Å; F264-N316 HydrophobicContact CD1-CB 3.96Å; F264-N316 HydrophobicContact CE1-CB 4.25Å; E265-N316 WeakPolarHBondContact OE1-CB 3.41Å; E265-N316 PolarHBondContact OE1-ND2 3.07Å; L280-N316 HydrophobicContact CD2-CB 4.26Å; I287-N316 HydrophobicContact CD1-CB 4.03Å; I287-N316 WeakPolarHBondContact CD1-OD1 3.16Å; I287-N316 WeakPolarHBondContact CG1-OD1 3.29Å; G313-N316 VanDerWaalsContact O-CB 3.28Å; G313-N316 WeakPolarHBondContact O-CB 3.46Å; G313-N316 PolarHBondContact O-N 3.32Å; G313-N316 VanDerWaalsContact O-N 3.07Å; R314-N316 PolarHBondContact O-N 3.26Å; N316-L318 VanDerWaalsContact C-N 3.34Å; N316-L318 PolarHBondContact O-N 3.47Å; N316-A319 PolarHBondContact O-N 3.07Å; N316-N320 WeakPolarHBondContact O-CB 3.48Å; N316-N320 PolarHBondContact O-N 3.36Å; N316-N320 PolarHBondContact OD1-ND2 2.92Å
317	V	94.5	Very high	88.7	Confident	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.078	C	C	.	.	I	π-helix	trans	-59.5	-45.1	172.2	174.1	0	0	0	0	110.7	L286 I287 L290 N309 G313 R314 A319 V321 I322 L408	L286-V317 HydrophobicContact CD2-CG2 4.39Å; I287-V317 HydrophobicContact CD1-CG2 4.07Å; L290-V317 HydrophobicContact CD1-CG1 4.28Å; L290-V317 HydrophobicContact CD1-CG2 3.78Å; N309-V317 WeakPolarHBondContact ND2-CG2 3.5Å; G313-V317 PolarHBondContact O-N 2.84Å; R314-V317 PolarHBondContact O-N 3.16Å; V317-A319 PolarHBondContact O-N 2.97Å; V317-V321 HydrophobicContact CG1-CB 4.03Å; V317-V321 HydrophobicContact CG1-CG2 4.32Å; V317-V321 CarbonylContact O-C 3.48Å; V317-V321 WeakPolarHBondContact O-CA 3.43Å; V317-V321 VanDerWaalsContact O-CB 3.24Å; V317-V321 WeakPolarHBondContact O-CB 3.38Å; V317-V321 PolarHBondContact O-N 3.17Å; V317-I322 HydrophobicContact CG1-CG1 4.33Å; V317-I322 PolarHBondContact O-N 2.94Å; V317-L408 HydrophobicContact CG2-CD1 4.45Å
318	L	91.8	Very high	88.7	Confident	0 Å²	0	17.8 Å²	17.8	0%	0	8%	0.084	C	C	.	.	I	π-helix	trans	-57.7	-50.4	175.2	-81.2	168.3	0	0	0	112.1	R314 L315 N316 R323 K324 I329 M353 L370 W584	R314-L318 HydrophobicContact CG-CD1 4.47Å; R314-L318 PolarHBondContact O-N 2.92Å; L315-L318 HydrophobicContact CD2-CD1 4.35Å; L315-L318 PolarHBondContact O-N 3.22Å; N316-L318 VanDerWaalsContact C-N 3.34Å; N316-L318 PolarHBondContact O-N 3.47Å; L318-R323 PolarHBondContact O-N 3.19Å; L318-K324 HydrophobicContact CB-CB 4.49Å; L318-K324 HydrophobicContact CD2-CD 4.47Å; L318-K324 PolarHBondContact O-N 3.31Å; L318-I329 HydrophobicContact CB-CD1 4.15Å; L318-M353 HydrophobicContact CD2-CB 3.9Å; L318-M353 HydrophobicContact CD2-CG 4.44Å; L318-L370 HydrophobicContact CD2-CD2 3.55Å; L318-L370 HydrophobicContact CG-CD2 3.86Å; L318-W584 HydrophobicContact CD1-CZ3 4.35Å
319	A	92.9	Very high	88.9	Confident	4 Å²	4	17.9 Å²	17.9	3%	0.033	8%	0.084	C	C	.	.	I	π-helix	trans	-68.9	-47.6	-177.2	0	0	0	0	0	113.1	F264 L315 N316 V317 R323 L326 I329	F264-A319 HydrophobicContact CD2-CB 4.19Å; F264-A319 HydrophobicContact CE1-CB 4.33Å; F264-A319 HydrophobicContact CE2-CB 3.76Å; F264-A319 HydrophobicContact CZ-CB 3.82Å; L315-A319 WeakPolarHBondContact O-CB 3.27Å; L315-A319 PolarHBondContact O-N 3.08Å; N316-A319 PolarHBondContact O-N 3.07Å; V317-A319 PolarHBondContact O-N 2.97Å; A319-R323 WeakPolarHBondContact O-CA 3.33Å; A319-L326 HydrophobicContact CB-CD2 3.66Å; A319-I329 HydrophobicContact CB-CD1 3.86Å
320	N	94	Very high	89.6	Confident	4 Å²	4	17.9 Å²	17.9	2%	0.021	9%	0.085	C	C	.	.	I	π-helix	trans	-104.5	-26	-164.4	-68.9	-48.6	0	0	0	113.7	R260 I287 K291 N316 Y562	R260-N320 PolarHBondContact O-ND2 2.94Å; I287-N320 HydrophobicContact CG2-CB 3.9Å; K291-N320 WeakPolarHBondContact CE-O 3.45Å; K291-N320 PolarHBondContact NZ-O 3.3Å; N316-N320 WeakPolarHBondContact O-CB 3.48Å; N316-N320 PolarHBondContact O-N 3.36Å; N316-N320 PolarHBondContact OD1-ND2 2.92Å; N320-Y562 PolarHBondContact ND2-OH 3.17Å; N320-Y562 PolarHBondContact OD1-OH 2.71Å
321	V	92.5	Very high	90	Very high	4 Å²	4	17.8 Å²	17.8	2%	0.024	8%	0.084	C	C	.	.	I	π-helix	trans	-98.3	-60.1	176.7	-175.7	0	0	0	0	110.8	I287 L290 I294 V317 R357	I287-V321 HydrophobicContact CD1-CG2 3.89Å; I287-V321 HydrophobicContact CG2-CG2 4.24Å; L290-V321 HydrophobicContact CB-CG1 4.16Å; L290-V321 HydrophobicContact CB-CG2 4.07Å; L290-V321 HydrophobicContact CD1-CG2 4.13Å; I294-V321 HydrophobicContact CD1-CG1 3.44Å; I294-V321 VanDerWaalsContact CD1-CG1 3.44Å; V317-V321 HydrophobicContact CG1-CB 4.03Å; V317-V321 HydrophobicContact CG1-CG2 4.32Å; V317-V321 CarbonylContact O-C 3.48Å; V317-V321 WeakPolarHBondContact O-CA 3.43Å; V317-V321 VanDerWaalsContact O-CB 3.24Å; V317-V321 WeakPolarHBondContact O-CB 3.38Å; V317-V321 PolarHBondContact O-N 3.17Å; V321-R357 PolarHBondContact O-NH2 2.98Å
322	I	90.3	Very high	90.3	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	8%	0.082	C	C	.	.	I	π-helix	trans	-71.2	-33	-178.4	-53	-59	0	0	0	111.4	V317 M353 H355 L368 L370	V317-I322 HydrophobicContact CG1-CG1 4.33Å; V317-I322 PolarHBondContact O-N 2.94Å; I322-M353 HydrophobicContact CG2-CB 4.15Å; I322-M353 HydrophobicContact CG2-CG 3.62Å; I322-H355 HydrophobicContact CG2-CB 4.22Å; I322-H355 PolarHBondContact O-CD2 2.99Å; I322-H355 VanDerWaalsContact O-CD2 3.28Å; I322-L368 HydrophobicContact CD1-CB 3.98Å; I322-L368 HydrophobicContact CD1-CD1 4.2Å; I322-L370 HydrophobicContact CD1-CB 4.36Å; I322-L370 HydrophobicContact CG1-CB 4.38Å
323	R	89.6	Confident	90	Very high	94 Å²	94	17.8 Å²	17.8	36%	0.355	8%	0.082	S	C	.	.			trans	74	40	-177.9	-52.9	-75	-74.8	167.4	2.4	113.9	L318 A319 R357	L318-R323 PolarHBondContact O-N 3.19Å; A319-R323 WeakPolarHBondContact O-CA 3.33Å; R323-R357 VanDerWaalsContact CG-CZ 3.41Å; R323-R357 VanDerWaalsContact CG-NH1 3.33Å
324	K	87.8	Confident	89.4	Confident	5 Å²	5	21.5 Å²	21.5	2%	0.022	10%	0.101	C	C	.	.			trans	-61.6	142.7	164.2	-172.8	172.6	-172.3	116.4	0	109.6	L318 L326 Q328 I329 M353 H583 W584	L318-K324 HydrophobicContact CB-CB 4.49Å; L318-K324 HydrophobicContact CD2-CD 4.47Å; L318-K324 PolarHBondContact O-N 3.31Å; K324-L326 PolarHBondContact O-N 2.88Å; K324-Q328 VanDerWaalsContact CE-OE1 3.31Å; K324-I329 HydrophobicContact CB-CD1 4.19Å; K324-I329 HydrophobicContact CB-CG1 4.46Å; K324-I329 HydrophobicContact CD-CG1 3.99Å; K324-I329 HydrophobicContact CG-CD1 4.43Å; K324-I329 HydrophobicContact CG-CG1 4.16Å; K324-M353 HydrophobicContact CB-CE 4.46Å; K324-M353 HydrophobicContact CD-SD 4.18Å; K324-M353 HydrophobicContact CG-CE 4.35Å; K324-M353 HydrophobicContact CG-SD 4.3Å; K324-H583 PolarHBondContact NZ-O 3.44Å; K324-H583 VanDerWaalsContact NZ-O 3.08Å; K324-W584 HydrophobicContact CD-CE3 4.19Å; K324-W584 HydrophobicContact CD-CH2 3.63Å; K324-W584 HydrophobicContact CD-CZ2 4.35Å; K324-W584 HydrophobicContact CD-CZ3 3.52Å; K324-W584 VanDerWaalsContact NZ-CH2 3.32Å; K324-W584 VanDerWaalsContact NZ-CZ2 3.29Å
325	E	88.9	Confident	88.5	Confident	109 Å²	109	27.3 Å²	27.3	51%	0.509	14%	0.142	S	C	.	.			trans	-59.2	135.1	176.8	-65.9	-179.2	165.1	0	0	110.3	E327 Q328 I329	E325-E327 HydrophobicContact CB-CG 4.21Å; E325-Q328 HydrophobicContact CB-CB 4.46Å; E325-Q328 HydrophobicContact CB-CG 4.07Å; E325-Q328 PolarHBondContact O-N 2.84Å; E325-Q328 PolarHBondContact OE2-NE2 2.84Å; E325-I329 PolarHBondContact O-N 3.02Å
326	L	91.4	Very high	87.5	Confident	18 Å²	18	35.2 Å²	35.2	9%	0.094	18%	0.176	C	C	.	.	H	α-helix	trans	-69	-38.8	-172.1	-73.3	-178.8	0	0	0	111.1	F264 A319 K324 Q328 I329 F330 I565 A569	F264-L326 HydrophobicContact CD2-CD2 4.25Å; F264-L326 HydrophobicContact CE2-CD2 3.72Å; A319-L326 HydrophobicContact CB-CD2 3.66Å; K324-L326 PolarHBondContact O-N 2.88Å; L326-Q328 VanDerWaalsContact C-N 3.27Å; L326-Q328 PolarHBondContact O-N 2.87Å; L326-I329 WeakPolarHBondContact O-CB 3.46Å; L326-I329 PolarHBondContact O-N 2.82Å; L326-F330 HydrophobicContact CB-CD2 4.31Å; L326-F330 HydrophobicContact CB-CE2 3.89Å; L326-F330 HydrophobicContact CB-CZ 4.17Å; L326-F330 HydrophobicContact CD2-CZ 4.25Å; L326-F330 WeakPolarHBondContact O-CB 3.43Å; L326-F330 WeakPolarHBondContact O-CD2 3.46Å; L326-F330 WeakPolarHBondContact O-CG 3.33Å; L326-F330 PolarHBondContact O-N 2.94Å; L326-I565 HydrophobicContact CD1-CG2 3.75Å; L326-A569 HydrophobicContact CB-CB 3.45Å; L326-A569 VanDerWaalsContact CB-CB 3.45Å; L326-A569 HydrophobicContact CD1-CB 4.1Å; L326-A569 HydrophobicContact CG-CB 4.42Å
327	E	89.4	Confident	86.4	Confident	32 Å²	32	37.2 Å²	37.2	15%	0.15	19%	0.186	C	C	.	.	H	α-helix	trans	-56.3	-40.6	175.7	47.4	-92.6	-102.9	0	0	112.2	E325 I329 F330 C331 R572 S573	E325-E327 HydrophobicContact CB-CG 4.21Å; E327-I329 VanDerWaalsContact C-N 3.32Å; E327-I329 PolarHBondContact O-N 2.9Å; E327-F330 PolarHBondContact O-N 2.73Å; E327-C331 PolarHBondContact O-N 3.3Å; E327-R572 HydrophobicContact CB-CB 4.31Å; E327-R572 IonicContact OE1-CZ 3.57Å; E327-R572 VanDerWaalsContact OE1-CZ 3.29Å; E327-R572 IonicContact OE1-NE 3.89Å; E327-R572 PolarHBondContact OE1-NE 2.84Å; E327-R572 IonicContact OE1-NH2 2.93Å; E327-R572 PolarHBondContact OE1-NH2 3.19Å; E327-R572 IonicContact OE2-NH2 2.75Å; E327-R572 PolarHBondContact OE2-NH2 3.37Å; E327-S573 WeakPolarHBondContact O-CB 3.3Å
328	Q	84.7	Confident	85.2	Confident	33 Å²	33	44.1 Å²	44.1	15%	0.154	22%	0.219	C	C	.	.	H	α-helix	trans	-70.2	-26.7	176.3	-64.3	-173.8	-13.9	0	0	113.3	K324 E325 L326 C331	K324-Q328 VanDerWaalsContact CE-OE1 3.31Å; E325-Q328 HydrophobicContact CB-CB 4.46Å; E325-Q328 HydrophobicContact CB-CG 4.07Å; E325-Q328 PolarHBondContact O-N 2.84Å; E325-Q328 PolarHBondContact OE2-NE2 2.84Å; L326-Q328 VanDerWaalsContact C-N 3.27Å; L326-Q328 PolarHBondContact O-N 2.87Å; Q328-C331 PolarHBondContact O-SG 2.71Å
329	I	87.8	Confident	83.9	Confident	2 Å²	2	47.5 Å²	47.5	1%	0.01	25%	0.247	C	C	.	.	H	α-helix	trans	-77.2	-45	172.9	-63.3	171.9	0	0	0	109.5	L315 L318 A319 K324 E325 L326 E327 Q332 F333	L315-I329 HydrophobicContact CD2-CG2 4.37Å; L318-I329 HydrophobicContact CB-CD1 4.15Å; A319-I329 HydrophobicContact CB-CD1 3.86Å; K324-I329 HydrophobicContact CB-CD1 4.19Å; K324-I329 HydrophobicContact CB-CG1 4.46Å; K324-I329 HydrophobicContact CD-CG1 3.99Å; K324-I329 HydrophobicContact CG-CD1 4.43Å; K324-I329 HydrophobicContact CG-CG1 4.16Å; E325-I329 PolarHBondContact O-N 3.02Å; L326-I329 WeakPolarHBondContact O-CB 3.46Å; L326-I329 PolarHBondContact O-N 2.82Å; E327-I329 VanDerWaalsContact C-N 3.32Å; E327-I329 PolarHBondContact O-N 2.9Å; I329-Q332 WeakPolarHBondContact O-CB 2.96Å; I329-Q332 PolarHBondContact O-N 3.32Å; I329-F333 HydrophobicContact CG2-CE2 4.45Å; I329-F333 WeakPolarHBondContact O-CD2 3.38Å
330	F	90.4	Very high	82.2	Confident	2 Å²	2	49.9 Å²	49.9	1%	0.009	27%	0.266	C	S	.	.	H	α-helix	trans	-69.9	-35	-174.6	-65.6	-19	0	0	0	113.3	F264 F267 L268 W272 L326 E327 Q332 F333 A569 F570	F264-F330 AromaticContact CE2-CE1 3.78Å; F264-F330 HydrophobicContact CE2-CE1 3.78Å; F264-F330 HydrophobicContact CE2-CZ 4.09Å; F264-F330 HydrophobicContact CZ-CE1 4.33Å; F267-F330 HydrophobicContact CD1-CE1 4.27Å; F267-F330 HydrophobicContact CD1-CE2 4.41Å; F267-F330 AromaticContact CD1-CZ 3.84Å; F267-F330 HydrophobicContact CD1-CZ 3.84Å; F267-F330 HydrophobicContact CE1-CD2 4.47Å; F267-F330 HydrophobicContact CE1-CE1 4.26Å; F267-F330 AromaticContact CE1-CE2 3.78Å; F267-F330 HydrophobicContact CE1-CE2 3.78Å; F267-F330 AromaticContact CE1-CZ 3.67Å; F267-F330 HydrophobicContact CE1-CZ 3.67Å; L268-F330 HydrophobicContact CD2-CD1 4.13Å; L268-F330 HydrophobicContact CD2-CE1 3.76Å; W272-F330 HydrophobicContact CH2-CB 3.73Å; W272-F330 AromaticContact CH2-CD1 3.73Å; W272-F330 HydrophobicContact CH2-CD1 3.73Å; W272-F330 HydrophobicContact CH2-CE1 4.5Å; W272-F330 AromaticContact CH2-CG 3.75Å; W272-F330 HydrophobicContact CH2-CG 3.75Å; W272-F330 HydrophobicContact CZ2-CB 4.34Å; W272-F330 AromaticContact CZ3-CD1 3.86Å; W272-F330 HydrophobicContact CZ3-CD1 3.86Å; W272-F330 HydrophobicContact CZ3-CE1 4.28Å; W272-F330 HydrophobicContact CZ3-CG 4.33Å; L326-F330 HydrophobicContact CB-CD2 4.31Å; L326-F330 HydrophobicContact CB-CE2 3.89Å; L326-F330 HydrophobicContact CB-CZ 4.17Å; L326-F330 HydrophobicContact CD2-CZ 4.25Å; L326-F330 WeakPolarHBondContact O-CB 3.43Å; L326-F330 WeakPolarHBondContact O-CD2 3.46Å; L326-F330 WeakPolarHBondContact O-CG 3.33Å; L326-F330 PolarHBondContact O-N 2.94Å; E327-F330 PolarHBondContact O-N 2.73Å; F330-Q332 PolarHBondContact O-N 2.97Å; F330-F333 PolarHBondContact O-N 2.94Å; F330-F333 VanDerWaalsContact O-N 3.09Å; F330-A569 HydrophobicContact CD2-CB 4.2Å; F330-A569 HydrophobicContact CE2-CB 3.95Å; F330-F570 HydrophobicContact CD2-CB 4.06Å; F330-F570 HydrophobicContact CE2-CB 4.32Å
331	C	85.4	Confident	80.7	Confident	8 Å²	8	51.7 Å²	51.7	5%	0.054	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-62.6	-24.6	177.1	69.7	0	0	0	0	112.8	E327 Q328 F333 D334 E576	E327-C331 PolarHBondContact O-N 3.3Å; Q328-C331 PolarHBondContact O-SG 2.71Å; C331-F333 PolarHBondContact O-N 2.97Å; C331-F333 VanDerWaalsContact O-N 3.13Å; C331-D334 PolarHBondContact O-N 2.86Å; C331-E576 HydrophobicContact CB-CB 4.02Å
332	Q	82.4	Confident	79.2	Confident	36 Å²	36	56.6 Å²	56.6	17%	0.168	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-66.1	-11.4	175.9	-59.5	-60.7	-62.5	0	0	114.1	I329 F330 K348 L579 W584	I329-Q332 WeakPolarHBondContact O-CB 2.96Å; I329-Q332 PolarHBondContact O-N 3.32Å; F330-Q332 PolarHBondContact O-N 2.97Å; Q332-K348 HydrophobicContact CB-CB 4.12Å; Q332-K348 HydrophobicContact CB-CD 4.41Å; Q332-K348 HydrophobicContact CG-CB 4.46Å; Q332-L579 VanDerWaalsContact NE2-CD2 3.25Å; Q332-W584 HydrophobicContact CG-CH2 4.37Å; Q332-W584 HydrophobicContact CG-CZ2 4.05Å
333	F	84.1	Confident	77.7	Confident	16 Å²	16	58.6 Å²	58.6	7%	0.07	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-92.7	-4	175.2	-67.4	-100.5	0	0	0	112.5	L268 W272 E275 L315 I329 F330 C331 K348	L268-F333 HydrophobicContact CD2-CE2 4.31Å; L268-F333 HydrophobicContact CD2-CZ 4.18Å; W272-F333 HydrophobicContact CB-CD1 4Å; W272-F333 HydrophobicContact CB-CE1 4.37Å; W272-F333 HydrophobicContact CD2-CB 3.87Å; W272-F333 AromaticContact CD2-CD1 3.8Å; W272-F333 HydrophobicContact CD2-CD1 3.8Å; W272-F333 HydrophobicContact CD2-CD2 4.45Å; W272-F333 HydrophobicContact CD2-CE1 4.42Å; W272-F333 AromaticContact CD2-CG 3.81Å; W272-F333 HydrophobicContact CD2-CG 3.81Å; W272-F333 AromaticContact CE2-CG 3.82Å; W272-F333 HydrophobicContact CE3-CD1 4.21Å; W272-F333 HydrophobicContact CE3-CD2 4.45Å; W272-F333 HydrophobicContact CE3-CE1 4.43Å; W272-F333 HydrophobicContact CE3-CG 4.21Å; W272-F333 HydrophobicContact CG-CB 4.05Å; W272-F333 AromaticContact CG-CD1 3.71Å; W272-F333 HydrophobicContact CG-CD1 3.71Å; W272-F333 HydrophobicContact CG-CE1 4.42Å; W272-F333 HydrophobicContact CG-CG 4.09Å; W272-F333 HydrophobicContact CH2-CD2 4.47Å; W272-F333 HydrophobicContact CZ2-CB 3.8Å; W272-F333 HydrophobicContact CZ2-CD2 4.42Å; W272-F333 HydrophobicContact CZ2-CG 4.21Å; W272-F333 HydrophobicContact CZ3-CD2 4.49Å; W272-F333 VanDerWaalsContact NE1-CB 3.28Å; E275-F333 HydrophobicContact CB-CD1 4.06Å; E275-F333 HydrophobicContact CB-CE1 4.15Å; E275-F333 HydrophobicContact CG-CD1 4.06Å; L315-F333 HydrophobicContact CD1-CE2 4.16Å; L315-F333 HydrophobicContact CD1-CZ 3.65Å; I329-F333 HydrophobicContact CG2-CE2 4.45Å; I329-F333 WeakPolarHBondContact O-CD2 3.38Å; F330-F333 PolarHBondContact O-N 2.94Å; F330-F333 VanDerWaalsContact O-N 3.09Å; C331-F333 PolarHBondContact O-N 2.97Å; C331-F333 VanDerWaalsContact O-N 3.13Å; F333-K348 HydrophobicContact CD2-CD 4.38Å; F333-K348 HydrophobicContact CE1-CD 4.15Å; F333-K348 VanDerWaalsContact CE1-CE 3.46Å; F333-K348 HydrophobicContact CE2-CD 3.99Å; F333-K348 HydrophobicContact CZ-CD 3.88Å
334	D	80.2	Confident	76.2	Confident	79 Å²	79	58.8 Å²	58.8	42%	0.422	34%	0.335	S	S	.	.			trans	-83.9	116.5	173.2	-165	-21.5	0	0	0	110.8	C331 K336 L337	C331-D334 PolarHBondContact O-N 2.86Å; D334-K336 PolarHBondContact O-N 2.87Å; D334-K336 VanDerWaalsContact O-N 3.09Å; D334-K336 WeakPolarHBondContact OD1-CB 3.4Å; D334-K336 PolarHBondContact OD1-N 2.9Å; D334-L337 WeakPolarHBondContact O-CB 3.47Å; D334-L337 PolarHBondContact O-N 2.78Å
335	S	72.6	Confident	75.4	Confident	122 Å²	122	59.7 Å²	59.7	85%	0.853	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-14.6	175	58.3	0	0	0	0	115.1
336	K	73	Confident	74.8	Confident	171 Å²	171	56.5 Å²	56.5	74%	0.743	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	2.5	-178.4	-60	179.3	-176.8	176.7	0	113.6	D334 E338	D334-K336 PolarHBondContact O-N 2.87Å; D334-K336 VanDerWaalsContact O-N 3.09Å; D334-K336 WeakPolarHBondContact OD1-CB 3.4Å; D334-K336 PolarHBondContact OD1-N 2.9Å; K336-E338 PolarHBondContact O-N 3.44Å
337	L	71.3	Confident	74.1	Confident	42 Å²	42	58.5 Å²	58.5	22%	0.22	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-66.2	123.1	-178	-171.4	67.2	0	0	0	110.4	D334 L579	D334-L337 WeakPolarHBondContact O-CB 3.47Å; D334-L337 PolarHBondContact O-N 2.78Å; L337-L579 HydrophobicContact CD1-CB 4.48Å; L337-L579 HydrophobicContact CD2-CB 4.01Å; L337-L579 HydrophobicContact CD2-CD2 4.38Å; L337-L579 HydrophobicContact CG-CB 4.22Å
338	E	69.1	Low	73.6	Confident	146 Å²	146	58 Å²	58	68%	0.682	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.2	140.7	175.6	-67	179.9	178.9	0	0	110.3	K336 K577 L579	K336-E338 PolarHBondContact O-N 3.44Å; E338-K577 PolarHBondContact N-O 2.77Å; E338-L579 PolarHBondContact O-N 3.13Å
339	A	63.3	Low	73.3	Confident	71 Å²	71	58.2 Å²	58.2	59%	0.587	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.5	128.1	174	0	0	0	0	0	110
340	A	58.8	Low	73.1	Confident	53 Å²	53	58.7 Å²	58.7	44%	0.438	34%	0.344	S	S	.	.			trans	-89.3	-23.7	173.1	0	0	0	0	0	114.2	I578 L579	A340-I578 HydrophobicContact CB-CG2 3.12Å; A340-L579 PolarHBondContact N-O 3.31Å; A340-L579 VanDerWaalsContact N-O 3.11Å
341	D	62.6	Low	72.7	Confident	43 Å²	43	58.9 Å²	58.9	23%	0.23	35%	0.345	C	S	.	.	S	Bend	trans	-105.9	157.4	-171.8	-59.6	-12.6	0	0	0	110.8	H580 I581 K582	D341-H580 IonicContact OD1-ND1 3.45Å; D341-H580 PolarHBondContact OD1-ND1 3.05Å; D341-H580 VanDerWaalsContact OD2-C 3.22Å; D341-H580 VanDerWaalsContact OD2-CA 3.24Å; D341-H580 WeakPolarHBondContact OD2-CA 3.17Å; D341-I581 HydrophobicContact CB-CB 4Å; D341-I581 HydrophobicContact CB-CD1 4.01Å; D341-I581 HydrophobicContact CB-CG1 3.98Å; D341-I581 PolarHBondContact OD2-N 3.06Å; D341-K582 PolarHBondContact OD2-N 2.85Å; D341-K582 VanDerWaalsContact OD2-N 3.12Å
342	E	59.5	Low	72.7	Confident	107 Å²	107	58.6 Å²	58.6	50%	0.5	34%	0.343	S	S	.	.	S	Bend	trans	-60.5	145	177	-69.5	-178.2	171.3	0	0	112.7	V770	E342-V770 WeakPolarHBondContact O-CG2 3.36Å
343	G	58.8	Low	72.8	Confident	41 Å²	41	57.9 Å²	57.9	42%	0.423	34%	0.34	S	S	.	.	S	Bend	trans	125.9	162	176.1	0	0	0	0	0	113	A767	G343-A767 CarbonylContact C-O 3.51Å; G343-A767 WeakPolarHBondContact CA-O 3.49Å
344	S	59.3	Low	73	Confident	98 Å²	98	60.7 Å²	60.7	69%	0.685	35%	0.351	S	S	*	.			trans	-75.6	-15.7	172.3	61.2	0	0	0	0	112.4	A767	S344-A767 PolarHBondContact N-O 2.78Å; S344-A767 PolarHBondContact OG-O 3.43Å
345	G	71.1	Confident	73.3	Confident	24 Å²	24	59.8 Å²	59.8	25%	0.247	34%	0.344	C	S	.	.			trans	68.9	-175.8	-165	0	0	0	0	0	112.3	K768	G345-K768 CarbonylContact C-O 3.06Å; G345-K768 VanDerWaalsContact C-O 3.31Å
346	D	75.4	Confident	74	Confident	43 Å²	43	61.2 Å²	61.2	23%	0.23	33%	0.33	C	S	.	.			trans	-145.3	167.4	171.2	-156.7	-13.6	0	0	0	108.6	H350 L351 K768 W769	D346-H350 HydrophobicContact CB-CB 4.22Å; D346-H350 IonicContact OD1-CE1 2.74Å; D346-H350 IonicContact OD1-CG 3.89Å; D346-H350 IonicContact OD1-ND1 2.74Å; D346-H350 PolarHBondContact OD1-ND1 3.31Å; D346-H350 VanDerWaalsContact OD2-CB 3.25Å; D346-H350 WeakPolarHBondContact OD2-CB 3.28Å; D346-H350 IonicContact OD2-CG 3.29Å; D346-H350 IonicContact OD2-ND1 3.71Å; D346-H350 PolarHBondContact OD2-ND1 2.92Å; D346-L351 HydrophobicContact CB-CD2 4.14Å; D346-K768 HydrophobicContact CB-CB 4.37Å; D346-W769 PolarHBondContact OD2-NE1 2.69Å
347	V	76.3	Confident	74.7	Confident	59 Å²	59	55.2 Å²	55.2	36%	0.358	30%	0.303	S	S	.	.			trans	-62.6	144.9	177.2	-68.3	0	0	0	0	111.1	Y349 H350	V347-Y349 HydrophobicContact CB-CD2 4.45Å; V347-Y349 HydrophobicContact CB-CE1 4Å; V347-Y349 HydrophobicContact CB-CE2 3.92Å; V347-Y349 HydrophobicContact CG2-CD2 3.7Å; V347-Y349 HydrophobicContact CG2-CE1 4.19Å; V347-Y349 HydrophobicContact CG2-CE2 3.18Å; V347-Y349 HydrophobicContact CG2-CG 4.39Å; V347-Y349 VanDerWaalsContact CG2-CZ 3.44Å; V347-Y349 PolarHBondContact O-N 3.15Å; V347-H350 HydrophobicContact CG2-CB 4.37Å; V347-H350 WeakPolarHBondContact CG2-CE1 3.25Å; V347-H350 WeakPolarHBondContact CG2-ND1 3.15Å; V347-H350 PolarHBondContact O-N 2.83Å
348	K	79.3	Confident	75.4	Confident	23 Å²	23	57.5 Å²	57.5	10%	0.1	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-46.6	-28.5	-175.1	57.9	-169.9	175.2	-109.1	0	115.8	E275 L315 Q332 F333	E275-K348 IonicContact OE2-NZ 2.83Å; E275-K348 PolarHBondContact OE2-NZ 3.42Å; E275-K348 VanDerWaalsContact OE2-NZ 3.11Å; L315-K348 HydrophobicContact CD1-CD 4.48Å; L315-K348 HydrophobicContact CD2-CG 4.46Å; Q332-K348 HydrophobicContact CB-CB 4.12Å; Q332-K348 HydrophobicContact CB-CD 4.41Å; Q332-K348 HydrophobicContact CG-CB 4.46Å; F333-K348 HydrophobicContact CD2-CD 4.38Å; F333-K348 HydrophobicContact CE1-CD 4.15Å; F333-K348 VanDerWaalsContact CE1-CE 3.46Å; F333-K348 HydrophobicContact CE2-CD 3.99Å; F333-K348 HydrophobicContact CZ-CD 3.88Å
349	Y	78.4	Confident	76.2	Confident	37 Å²	37	51 Å²	51	15%	0.145	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	14.6	179.1	46.8	-98.6	0	0	0	114.6	F278 R314 V347	F278-Y349 HydrophobicContact CD2-CD1 4.13Å; F278-Y349 HydrophobicContact CD2-CD2 4.34Å; F278-Y349 HydrophobicContact CD2-CE1 4.12Å; F278-Y349 HydrophobicContact CD2-CE2 4.3Å; F278-Y349 HydrophobicContact CD2-CG 4.26Å; F278-Y349 HydrophobicContact CE2-CD1 4.3Å; F278-Y349 HydrophobicContact CE2-CD2 4.25Å; F278-Y349 AromaticContact CE2-CE1 3.85Å; F278-Y349 HydrophobicContact CE2-CE1 3.85Å; F278-Y349 AromaticContact CE2-CE2 3.77Å; F278-Y349 HydrophobicContact CE2-CE2 3.77Å; F278-Y349 HydrophobicContact CE2-CG 4.5Å; F278-Y349 AromaticContact CE2-CZ 3.58Å; R314-Y349 VanDerWaalsContact CD-C 3.47Å; R314-Y349 WeakPolarHBondContact CD-O 2.89Å; R314-Y349 PolarHBondContact NE-O 3.48Å; V347-Y349 HydrophobicContact CB-CD2 4.45Å; V347-Y349 HydrophobicContact CB-CE1 4Å; V347-Y349 HydrophobicContact CB-CE2 3.92Å; V347-Y349 HydrophobicContact CG2-CD2 3.7Å; V347-Y349 HydrophobicContact CG2-CE1 4.19Å; V347-Y349 HydrophobicContact CG2-CE2 3.18Å; V347-Y349 HydrophobicContact CG2-CG 4.39Å; V347-Y349 VanDerWaalsContact CG2-CZ 3.44Å; V347-Y349 PolarHBondContact O-N 3.15Å
350	H	84.2	Confident	77.1	Confident	11 Å²	11	58.3 Å²	58.3	5%	0.051	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.2	-14.6	169.8	-68.2	166	0	0	0	113.2	D346 V347 A372 N373 S375	D346-H350 HydrophobicContact CB-CB 4.22Å; D346-H350 IonicContact OD1-CE1 2.74Å; D346-H350 IonicContact OD1-CG 3.89Å; D346-H350 IonicContact OD1-ND1 2.74Å; D346-H350 PolarHBondContact OD1-ND1 3.31Å; D346-H350 VanDerWaalsContact OD2-CB 3.25Å; D346-H350 WeakPolarHBondContact OD2-CB 3.28Å; D346-H350 IonicContact OD2-CG 3.29Å; D346-H350 IonicContact OD2-ND1 3.71Å; D346-H350 PolarHBondContact OD2-ND1 2.92Å; V347-H350 HydrophobicContact CG2-CB 4.37Å; V347-H350 WeakPolarHBondContact CG2-CE1 3.25Å; V347-H350 WeakPolarHBondContact CG2-ND1 3.15Å; V347-H350 PolarHBondContact O-N 2.83Å; H350-A372 WeakPolarHBondContact O-CA 3.3Å; H350-A372 WeakPolarHBondContact O-CB 3.44Å; H350-N373 WeakPolarHBondContact CB-O 3.33Å; H350-N373 PolarHBondContact CD2-O 2.84Å; H350-N373 VanDerWaalsContact CD2-O 3.31Å; H350-N373 PolarHBondContact O-N 2.86Å; H350-S375 PolarHBondContact CE1-OG 2.94Å; H350-S375 PolarHBondContact NE2-OG 3.05Å
351	L	81.7	Confident	78.3	Confident	7 Å²	7	60 Å²	60	4%	0.037	30%	0.301	C	S	.	.			trans	-70	141.8	-172.5	-58.4	178	0	0	0	112.1	R314 D346 W584	R314-L351 PolarHBondContact NH2-O 3.35Å; D346-L351 HydrophobicContact CB-CD2 4.14Å; L351-W584 HydrophobicContact CB-CB 4.21Å; L351-W584 HydrophobicContact CB-CD2 3.77Å; L351-W584 HydrophobicContact CB-CE3 3.29Å; L351-W584 HydrophobicContact CB-CG 4.18Å; L351-W584 HydrophobicContact CB-CZ3 3.86Å; L351-W584 HydrophobicContact CD1-CD2 3.5Å; L351-W584 HydrophobicContact CD1-CE3 3.7Å; L351-W584 HydrophobicContact CD1-CG 3.97Å; L351-W584 HydrophobicContact CD1-CH2 4.11Å; L351-W584 HydrophobicContact CD1-CZ2 3.99Å; L351-W584 HydrophobicContact CD1-CZ3 3.99Å; L351-W584 HydrophobicContact CG-CD2 4.23Å; L351-W584 HydrophobicContact CG-CE3 4.14Å
352	G	84.3	Confident	79.3	Confident	1 Å²	1	60 Å²	60	1%	0.01	30%	0.303	C	S	.	.			trans	-82.2	172	177.5	0	0	0	0	0	112.9	L370 W584	G352-L370 CarbonylContact C-O 3.59Å; G352-L370 WeakPolarHBondContact CA-O 3.4Å; G352-W584 CarbonylContact C-O 3.45Å; G352-W584 CarbonylContact O-C 3.16Å; G352-W584 VanDerWaalsContact O-CA 3.31Å; G352-W584 WeakPolarHBondContact O-CA 3.35Å
353	M	86.3	Confident	80.5	Confident	21 Å²	21	61.2 Å²	61.2	10%	0.103	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	138.3	174.9	-175.2	66.3	-173.9	0	0	110.8	L318 I322 K324 H355 S369 L370	L318-M353 HydrophobicContact CD2-CB 3.9Å; L318-M353 HydrophobicContact CD2-CG 4.44Å; I322-M353 HydrophobicContact CG2-CB 4.15Å; I322-M353 HydrophobicContact CG2-CG 3.62Å; K324-M353 HydrophobicContact CB-CE 4.46Å; K324-M353 HydrophobicContact CD-SD 4.18Å; K324-M353 HydrophobicContact CG-CE 4.35Å; K324-M353 HydrophobicContact CG-SD 4.3Å; M353-H355 HydrophobicContact CE-CB 4.15Å; M353-S369 CarbonylContact O-C 3.47Å; M353-S369 WeakPolarHBondContact O-CA 3.21Å; M353-L370 HydrophobicContact CB-CB 4.39Å; M353-L370 PolarHBondContact N-O 2.63Å; M353-L370 PolarHBondContact O-N 2.73Å
354	Y	86.6	Confident	81.6	Confident	76 Å²	76	64.3 Å²	64.3	30%	0.298	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	126.8	167.6	178.3	-88.7	0	0	0	109.2	Y304 T367 L585 P588	Y304-Y354 HydrophobicContact CE2-CE2 4.03Å; Y354-T367 HydrophobicContact CD2-CG2 4.07Å; Y354-T367 HydrophobicContact CE1-CG2 4.37Å; Y354-T367 HydrophobicContact CE2-CG2 3.28Å; Y354-T367 VanDerWaalsContact CZ-CG2 3.46Å; Y354-T367 WeakPolarHBondContact OH-CG2 3.36Å; Y354-L585 WeakPolarHBondContact CB-O 3.37Å; Y354-L585 PolarHBondContact N-O 3.47Å; Y354-P588 HydrophobicContact CD1-CG 3.85Å; Y354-P588 HydrophobicContact CD2-CG 4.41Å; Y354-P588 HydrophobicContact CE1-CG 4.13Å; Y354-P588 HydrophobicContact CG-CG 4.01Å
355	H	87.3	Confident	83	Confident	60 Å²	60	62.3 Å²	62.3	28%	0.278	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	126.4	177.9	-167.8	56	0	0	0	112.2	I322 M353 L368	I322-H355 HydrophobicContact CG2-CB 4.22Å; I322-H355 PolarHBondContact O-CD2 2.99Å; I322-H355 VanDerWaalsContact O-CD2 3.28Å; M353-H355 HydrophobicContact CE-CB 4.15Å; H355-L368 PolarHBondContact N-O 2.91Å; H355-L368 PolarHBondContact O-N 3.15Å
356	R	87.4	Confident	83.8	Confident	151 Å²	151	61.6 Å²	61.6	57%	0.57	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104	127.4	173	-175.8	176.5	175.4	-178.1	-0.4	109.6	I366	R356-I366 WeakPolarHBondContact CA-O 3.41Å
357	R	86.8	Confident	84.5	Confident	45 Å²	45	60.1 Å²	60.1	17%	0.17	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	166.8	-178.1	63.9	177.1	-179.1	124.5	-0.4	112.8	V321 R323 I366	V321-R357 PolarHBondContact O-NH2 2.98Å; R323-R357 VanDerWaalsContact CG-CZ 3.41Å; R323-R357 VanDerWaalsContact CG-NH1 3.33Å; R357-I366 HydrophobicContact CG-CD1 4.43Å; R357-I366 HydrophobicContact CG-CG1 4.11Å; R357-I366 PolarHBondContact N-O 3.38Å; R357-I366 WeakPolarHBondContact O-CG1 3.49Å; R357-I366 PolarHBondContact O-N 3.49Å; R357-I366 VanDerWaalsContact O-O 3.12Å
358	I	86.2	Confident	85.2	Confident	91 Å²	91	57.3 Å²	57.3	47%	0.467	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	126.7	170.4	-59.8	170.9	0	0	0	109.3	R360 R364 N365	I358-R360 PolarHBondContact O-N 3.47Å; I358-R364 CarbonylContact C-O 3.55Å; I358-R364 WeakPolarHBondContact CA-O 3.1Å; I358-N365 WeakPolarHBondContact CG1-OD1 3.32Å
359	N	86.2	Confident	85.7	Confident	8 Å²	8	56.2 Å²	56.2	4%	0.043	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	114.8	162.5	-174.5	-23.2	0	0	0	108.3	D295 V361 T362 D363 R364 I366	D295-N359 PolarHBondContact OD1-ND2 3.2Å; D295-N359 PolarHBondContact OD1-OD1 3.27Å; N359-V361 VanDerWaalsContact C-N 3.28Å; N359-V361 PolarHBondContact O-N 2.94Å; N359-V361 WeakPolarHBondContact OD1-CB 3.37Å; N359-V361 PolarHBondContact OD1-N 3.45Å; N359-T362 WeakPolarHBondContact CB-OG1 3.47Å; N359-T362 PolarHBondContact O-N 3.22Å; N359-D363 WeakPolarHBondContact O-CA 3.41Å; N359-D363 PolarHBondContact O-N 3.15Å; N359-R364 PolarHBondContact N-O 3.4Å; N359-R364 PolarHBondContact O-N 3.42Å; N359-I366 HydrophobicContact CB-CD1 4.06Å; N359-I366 HydrophobicContact CB-CG1 4.26Å; N359-I366 HydrophobicContact CB-CG2 4.17Å
360	R	83.5	Confident	86.4	Confident	225 Å²	225	54.4 Å²	54.4	85%	0.849	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-18.7	-176.9	-64.2	-175.8	179.3	-179.8	-3.4	114.3	I358	I358-R360 PolarHBondContact O-N 3.47Å
361	V	83	Confident	86.8	Confident	88 Å²	88	54 Å²	54	53%	0.533	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-40	177.5	179.4	0	0	0	0	110.3	D295 N359	D295-V361 HydrophobicContact CB-CB 4.45Å; D295-V361 HydrophobicContact CB-CG1 4.36Å; N359-V361 VanDerWaalsContact C-N 3.28Å; N359-V361 PolarHBondContact O-N 2.94Å; N359-V361 WeakPolarHBondContact OD1-CB 3.37Å; N359-V361 PolarHBondContact OD1-N 3.45Å
362	T	82.9	Confident	87.3	Confident	45 Å²	45	53.8 Å²	53.8	28%	0.276	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-9.1	-176.8	67.5	0	0	0	0	113.6	D295 N359 R364	D295-T362 WeakPolarHBondContact O-CG2 3.44Å; N359-T362 WeakPolarHBondContact CB-OG1 3.47Å; N359-T362 PolarHBondContact O-N 3.22Å; T362-R364 WeakPolarHBondContact O-CG 3.33Å; T362-R364 PolarHBondContact O-N 2.87Å; T362-R364 PolarHBondContact OG1-N 3.02Å
363	D	84.9	Confident	87.8	Confident	132 Å²	132	54.2 Å²	54.2	71%	0.706	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.9	37.4	-169.9	-156.8	33.4	0	0	0	114.1	N359	N359-D363 WeakPolarHBondContact O-CA 3.41Å; N359-D363 PolarHBondContact O-N 3.15Å
364	R	83.4	Confident	88.1	Confident	106 Å²	106	53.3 Å²	53.3	40%	0.4	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	147.1	-176.9	-69.5	170.8	-174.8	163.4	-3.5	111.7	G299 I358 N359 T362 I366	G299-R364 PolarHBondContact O-NE 2.79Å; G299-R364 PolarHBondContact O-NH1 3.01Å; I358-R364 CarbonylContact C-O 3.55Å; I358-R364 WeakPolarHBondContact CA-O 3.1Å; N359-R364 PolarHBondContact N-O 3.4Å; N359-R364 PolarHBondContact O-N 3.42Å; T362-R364 WeakPolarHBondContact O-CG 3.33Å; T362-R364 PolarHBondContact O-N 2.87Å; T362-R364 PolarHBondContact OG1-N 3.02Å; R364-I366 PolarHBondContact O-N 2.99Å
365	N	86.8	Confident	88.5	Confident	56 Å²	56	53.5 Å²	53.5	30%	0.299	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	126.2	169.3	-78.1	-40.2	0	0	0	110.6	G302 I358	G302-N365 PolarHBondContact N-O 3.43Å; I358-N365 WeakPolarHBondContact CG1-OD1 3.32Å
366	I	88.4	Confident	89	Confident	8 Å²	8	54.9 Å²	54.9	4%	0.041	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	144.4	173	60.2	166.3	0	0	0	109.9	I294 S303 R356 R357 N359 R364 L368	I294-I366 HydrophobicContact CG2-CD1 3.7Å; S303-I366 WeakPolarHBondContact O-CA 3.38Å; R356-I366 WeakPolarHBondContact CA-O 3.41Å; R357-I366 HydrophobicContact CG-CD1 4.43Å; R357-I366 HydrophobicContact CG-CG1 4.11Å; R357-I366 PolarHBondContact N-O 3.38Å; R357-I366 WeakPolarHBondContact O-CG1 3.49Å; R357-I366 PolarHBondContact O-N 3.49Å; R357-I366 VanDerWaalsContact O-O 3.12Å; N359-I366 HydrophobicContact CB-CD1 4.06Å; N359-I366 HydrophobicContact CB-CG1 4.26Å; N359-I366 HydrophobicContact CB-CG2 4.17Å; R364-I366 PolarHBondContact O-N 2.99Å; I366-L368 HydrophobicContact CD1-CD1 4.18Å; I366-L368 HydrophobicContact CD1-CD2 4.2Å; I366-L368 HydrophobicContact CD1-CG 4.18Å
367	T	90.1	Very high	89.4	Confident	12 Å²	12	51.2 Å²	51.2	7%	0.074	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	127.3	169.7	-57.2	0	0	0	0	108.3	S303 Y304 L305 Y354	S303-T367 PolarHBondContact O-N 3.44Å; Y304-T367 WeakPolarHBondContact CA-O 3.39Å; Y304-T367 HydrophobicContact CD2-CG2 3.58Å; Y304-T367 HydrophobicContact CE2-CG2 3.61Å; Y304-T367 HydrophobicContact CG-CG2 4.3Å; L305-T367 PolarHBondContact N-O 2.8Å; Y354-T367 HydrophobicContact CD2-CG2 4.07Å; Y354-T367 HydrophobicContact CE1-CG2 4.37Å; Y354-T367 HydrophobicContact CE2-CG2 3.28Å; Y354-T367 VanDerWaalsContact CZ-CG2 3.46Å; Y354-T367 WeakPolarHBondContact OH-CG2 3.36Å
368	L	90.8	Very high	90	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	127.3	175.8	-58.8	178.1	0	0	0	108.5	I294 L305 I322 H355 I366	I294-L368 HydrophobicContact CD1-CD1 4.47Å; I294-L368 HydrophobicContact CD1-CD2 4.3Å; L305-L368 HydrophobicContact CB-CD2 3.82Å; L305-L368 HydrophobicContact CD1-CD2 3.94Å; L305-L368 HydrophobicContact CG-CD2 4.37Å; L305-L368 WeakPolarHBondContact O-CA 3.34Å; I322-L368 HydrophobicContact CD1-CB 3.98Å; I322-L368 HydrophobicContact CD1-CD1 4.2Å; H355-L368 PolarHBondContact N-O 2.91Å; H355-L368 PolarHBondContact O-N 3.15Å; I366-L368 HydrophobicContact CD1-CD1 4.18Å; I366-L368 HydrophobicContact CD1-CD2 4.2Å; I366-L368 HydrophobicContact CD1-CG 4.18Å
369	S	91.3	Very high	90.5	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	109.3	175.4	-170.8	0	0	0	0	110.1	L305 T306 V307 M353 K387 D586	L305-S369 PolarHBondContact O-N 3Å; T306-S369 CarbonylContact C-O 3.42Å; V307-S369 PolarHBondContact N-O 2.86Å; M353-S369 CarbonylContact O-C 3.47Å; M353-S369 WeakPolarHBondContact O-CA 3.21Å; S369-K387 WeakPolarHBondContact OG-CE 3.46Å; S369-K387 PolarHBondContact OG-NZ 3Å; S369-D586 PolarHBondContact OG-O 3.24Å
370	L	92.8	Very high	91.1	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	114.9	171.1	-179.5	68	0	0	0	108.5	V307 N309 R314 L318 I322 G352 M353 D586	V307-L370 HydrophobicContact CB-CD1 4.27Å; V307-L370 HydrophobicContact CG1-CD1 4.05Å; V307-L370 WeakPolarHBondContact O-CA 3.4Å; N309-L370 HydrophobicContact CB-CD1 3.82Å; R314-L370 HydrophobicContact CG-CD2 4.43Å; L318-L370 HydrophobicContact CD2-CD2 3.55Å; L318-L370 HydrophobicContact CG-CD2 3.86Å; I322-L370 HydrophobicContact CD1-CB 4.36Å; I322-L370 HydrophobicContact CG1-CB 4.38Å; G352-L370 CarbonylContact C-O 3.59Å; G352-L370 WeakPolarHBondContact CA-O 3.4Å; M353-L370 HydrophobicContact CB-CB 4.39Å; M353-L370 PolarHBondContact N-O 2.63Å; M353-L370 PolarHBondContact O-N 2.73Å; L370-D586 VanDerWaalsContact O-CB 3.27Å; L370-D586 WeakPolarHBondContact O-CB 3.25Å
371	V	92.7	Very high	91.8	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.006	18%	0.184	C	C	.	.			trans	-75	140.3	-177.5	-180	0	0	0	0	110.5	T306 V307 R314 V380 V383 V384 K387 M734	T306-V371 HydrophobicContact CG2-CG2 3.79Å; V307-V371 PolarHBondContact O-N 2.83Å; V307-V371 VanDerWaalsContact O-N 3.07Å; R314-V371 PolarHBondContact NH2-O 3.2Å; V371-V380 HydrophobicContact CB-CG2 4.23Å; V371-V380 HydrophobicContact CG1-CG2 3.87Å; V371-V383 HydrophobicContact CG1-CG1 4.25Å; V371-V384 HydrophobicContact CB-CG2 3.72Å; V371-V384 HydrophobicContact CG1-CG2 4.33Å; V371-V384 HydrophobicContact CG2-CG2 3.57Å; V371-K387 HydrophobicContact CG2-CD 3.83Å; V371-M734 HydrophobicContact CG1-CE 4.37Å
372	A	91.6	Very high	92.5	Very high	3 Å²	3	30 Å²	30	3%	0.025	16%	0.158	C	C	.	.			trans	-68.3	142.4	171.8	0	0	0	0	0	110.9	H350 D586 W769	H350-A372 WeakPolarHBondContact O-CA 3.3Å; H350-A372 WeakPolarHBondContact O-CB 3.44Å; A372-D586 PolarHBondContact N-OD2 3.3Å; A372-D586 VanDerWaalsContact N-OD2 3.14Å; A372-W769 HydrophobicContact CB-CB 4.18Å; A372-W769 HydrophobicContact CB-CD2 3.63Å; A372-W769 HydrophobicContact CB-CE3 4.04Å; A372-W769 HydrophobicContact CB-CG 3.69Å
373	N	93.8	Very high	93.3	Very high	10 Å²	10	27.9 Å²	27.9	5%	0.053	15%	0.145	C	C	.	.			trans	-145.3	148.8	-176.2	61.5	-84.4	0	0	0	112.6	N309 R314 H350 V380	N309-N373 PolarHBondContact O-ND2 2.71Å; N309-N373 PolarHBondContact O-OD1 3.12Å; R314-N373 VanDerWaalsContact CZ-OD1 3.29Å; R314-N373 PolarHBondContact NH1-OD1 3.2Å; R314-N373 PolarHBondContact NH2-OD1 3.18Å; H350-N373 WeakPolarHBondContact CB-O 3.33Å; H350-N373 PolarHBondContact CD2-O 2.84Å; H350-N373 VanDerWaalsContact CD2-O 3.31Å; H350-N373 PolarHBondContact O-N 2.86Å; N373-V380 HydrophobicContact CB-CB 3.63Å; N373-V380 HydrophobicContact CB-CG1 3.91Å; N373-V380 HydrophobicContact CB-CG2 3.79Å
374	P	94.3	Very high	93.9	Very high	3 Å²	3	21.6 Å²	21.6	2%	0.019	11%	0.111	C	C	.	.			trans	-74.8	176.6	171.1	36.5	-37.9	0	0	0	110.8	H376 Q760 F761	P374-H376 HydrophobicContact CG-CB 4.12Å; P374-H376 PolarHBondContact O-N 3.08Å; P374-Q760 HydrophobicContact CB-CB 3.86Å; P374-Q760 HydrophobicContact CB-CG 4.31Å; P374-Q760 HydrophobicContact CG-CB 3.79Å; P374-Q760 HydrophobicContact CG-CG 4.42Å; P374-F761 HydrophobicContact CG-CD2 4.43Å; P374-F761 HydrophobicContact CG-CE2 3.66Å; P374-F761 HydrophobicContact CG-CZ 3.8Å
375	S	94.4	Very high	94.6	Very high	80 Å²	80	17 Å²	17	56%	0.559	10%	0.095	S	C	*	.	S	Bend	trans	-72.2	-7	170.3	-50.8	0	0	0	0	114.3	H350 L377	H350-S375 PolarHBondContact CE1-OG 2.94Å; H350-S375 PolarHBondContact NE2-OG 3.05Å; S375-L377 PolarHBondContact O-N 3.28Å
376	H	97	Very high	95.1	Very high	88 Å²	88	14.3 Å²	14.3	41%	0.407	8%	0.08	S	C	.	.	S	Bend	trans	-72.8	96.6	175.2	-62.7	70.8	0	0	0	107.7	P374 A379 C756 Q760	P374-H376 HydrophobicContact CG-CB 4.12Å; P374-H376 PolarHBondContact O-N 3.08Å; H376-A379 HydrophobicContact CB-CB 4.14Å; H376-A379 VanDerWaalsContact O-CB 3.27Å; H376-A379 WeakPolarHBondContact O-CB 3.44Å; H376-A379 PolarHBondContact O-N 3.44Å; H376-C756 VanDerWaalsContact CB-SG 3.57Å; H376-C756 VanDerWaalsContact CD2-SG 3.57Å; H376-Q760 PolarHBondContact CE1-NE2 3.23Å; H376-Q760 PolarHBondContact CE1-OE1 3.08Å; H376-Q760 WeakPolarHBondContact ND1-CG 3.2Å
377	L	96.9	Very high	95.5	Very high	74 Å²	74	14 Å²	14	39%	0.387	8%	0.078	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	144	-171.9	-59.2	176	0	0	0	110.9	V310 S375 A379 A413	V310-L377 HydrophobicContact CG1-CD2 4.27Å; S375-L377 PolarHBondContact O-N 3.28Å; L377-A379 PolarHBondContact O-N 2.91Å; L377-A413 HydrophobicContact CB-CB 3.77Å; L377-A413 HydrophobicContact CD1-CB 3.62Å; L377-A413 HydrophobicContact CG-CB 4.31Å
378	E	98.1	Very high	95.8	Very high	3 Å²	3	13.4 Å²	13.4	1%	0.014	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.9	-10.3	179.6	-38.2	-49.8	156.1	0	0	115.8	V380 D381 H409 A413 Q417 I419 V420	E378-V380 PolarHBondContact O-N 2.73Å; E378-D381 WeakPolarHBondContact O-CB 3.24Å; E378-D381 VanDerWaalsContact O-CG 3.31Å; E378-D381 PolarHBondContact O-N 3.5Å; E378-H409 IonicContact OE2-CE1 2.68Å; E378-H409 IonicContact OE2-CG 2.62Å; E378-H409 IonicContact OE2-ND1 3.4Å; E378-H409 PolarHBondContact OE2-ND1 3.37Å; E378-A413 HydrophobicContact CG-CB 3.98Å; E378-A413 WeakPolarHBondContact OE1-CB 3.44Å; E378-Q417 HydrophobicContact CB-CB 4.13Å; E378-Q417 HydrophobicContact CB-CG 4.42Å; E378-Q417 HydrophobicContact CG-CB 3.98Å; E378-Q417 HydrophobicContact CG-CG 4Å; E378-I419 HydrophobicContact CB-CG2 3.58Å; E378-V420 HydrophobicContact CB-CG2 3.63Å; E378-V420 HydrophobicContact CG-CG2 3.55Å
379	A	98.2	Very high	96.1	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-19	177.9	0	0	0	0	0	113.9	H376 L377 Y723 I757 F761	H376-A379 HydrophobicContact CB-CB 4.14Å; H376-A379 VanDerWaalsContact O-CB 3.27Å; H376-A379 WeakPolarHBondContact O-CB 3.44Å; H376-A379 PolarHBondContact O-N 3.44Å; L377-A379 PolarHBondContact O-N 2.91Å; A379-Y723 HydrophobicContact CB-CE2 4.42Å; A379-Y723 VanDerWaalsContact CB-OH 3.31Å; A379-Y723 WeakPolarHBondContact CB-OH 3.1Å; A379-I757 WeakPolarHBondContact O-CD1 3.48Å; A379-F761 HydrophobicContact CB-CE2 4.05Å
380	V	97.8	Very high	96.3	Very high	6 Å²	6	15 Å²	15	4%	0.036	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-19.3	177.2	65.4	0	0	0	0	113	V371 N373 E378 V383 V384 F761	V371-V380 HydrophobicContact CB-CG2 4.23Å; V371-V380 HydrophobicContact CG1-CG2 3.87Å; N373-V380 HydrophobicContact CB-CB 3.63Å; N373-V380 HydrophobicContact CB-CG1 3.91Å; N373-V380 HydrophobicContact CB-CG2 3.79Å; E378-V380 PolarHBondContact O-N 2.73Å; V380-V383 HydrophobicContact CG2-CB 4.46Å; V380-V383 WeakPolarHBondContact O-CA 3.31Å; V380-V383 VanDerWaalsContact O-CB 3.3Å; V380-V383 WeakPolarHBondContact O-CB 3.4Å; V380-V383 PolarHBondContact O-N 2.56Å; V380-V384 HydrophobicContact CG2-CG2 4.09Å; V380-V384 PolarHBondContact O-N 3.39Å; V380-F761 HydrophobicContact CB-CZ 4.12Å
381	D	98.5	Very high	96.4	Very high	3 Å²	3	16.7 Å²	16.7	2%	0.016	9%	0.09	C	C	.	.	H	α-helix	trans	-54.7	-52.5	-173.9	-66.2	-6.9	0	0	0	112.9	E378 V383 V384 Q385 L407 H409 T423	E378-D381 WeakPolarHBondContact O-CB 3.24Å; E378-D381 VanDerWaalsContact O-CG 3.31Å; E378-D381 PolarHBondContact O-N 3.5Å; D381-V383 VanDerWaalsContact C-N 3.27Å; D381-V383 PolarHBondContact O-N 3.32Å; D381-V384 PolarHBondContact O-N 3.17Å; D381-Q385 WeakPolarHBondContact O-CG 3.33Å; D381-Q385 PolarHBondContact O-N 2.83Å; D381-Q385 VanDerWaalsContact O-N 3.1Å; D381-L407 HydrophobicContact CB-CD1 3.96Å; D381-L407 HydrophobicContact CB-CD2 4.47Å; D381-H409 IonicContact OD1-CE1 3.67Å; D381-H409 IonicContact OD2-CE1 3.2Å; D381-H409 PolarHBondContact OD2-CE1 3.33Å; D381-H409 IonicContact OD2-ND1 3.27Å; D381-H409 PolarHBondContact OD2-ND1 2.93Å; D381-T423 HydrophobicContact CB-CG2 4.14Å
382	P	98.4	Very high	96.4	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-66.6	-29.8	177.2	27.4	-35.8	0	0	0	112.3	V384 Q385 G386 I419 T423 G724 F728	P382-V384 VanDerWaalsContact C-N 3.35Å; P382-V384 PolarHBondContact O-N 2.95Å; P382-Q385 PolarHBondContact O-N 3.46Å; P382-G386 PolarHBondContact O-N 3.38Å; P382-I419 HydrophobicContact CG-CD1 3.99Å; P382-I419 HydrophobicContact CG-CG1 4.05Å; P382-T423 WeakPolarHBondContact CD-OG1 3.47Å; P382-G724 WeakPolarHBondContact CB-O 3.2Å; P382-F728 VanDerWaalsContact O-CA 3.3Å; P382-F728 WeakPolarHBondContact O-CA 3.29Å
383	V	98.3	Very high	96.6	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-63.8	-41.2	176.3	-172	0	0	0	0	111	V371 V380 D381 K387 G727 L730 G731 M734 I757 F761	V371-V383 HydrophobicContact CG1-CG1 4.25Å; V380-V383 HydrophobicContact CG2-CB 4.46Å; V380-V383 WeakPolarHBondContact O-CA 3.31Å; V380-V383 VanDerWaalsContact O-CB 3.3Å; V380-V383 WeakPolarHBondContact O-CB 3.4Å; V380-V383 PolarHBondContact O-N 2.56Å; D381-V383 VanDerWaalsContact C-N 3.27Å; D381-V383 PolarHBondContact O-N 3.32Å; V383-K387 WeakPolarHBondContact O-CB 3.24Å; V383-K387 PolarHBondContact O-N 3.44Å; V383-G727 VanDerWaalsContact CA-O 3.27Å; V383-G727 WeakPolarHBondContact CA-O 3.5Å; V383-L730 HydrophobicContact CG1-CD2 4.27Å; V383-L730 HydrophobicContact CG1-CG 4.44Å; V383-L730 HydrophobicContact CG2-CD2 3.95Å; V383-G731 VanDerWaalsContact O-CA 3.28Å; V383-G731 WeakPolarHBondContact O-CA 3.24Å; V383-M734 HydrophobicContact CG1-SD 3.76Å; V383-I757 HydrophobicContact CG2-CD1 4.41Å; V383-F761 HydrophobicContact CG2-CD1 4.37Å; V383-F761 HydrophobicContact CG2-CE1 4.08Å; V383-F761 HydrophobicContact CG2-CZ 4.16Å
384	V	97.6	Very high	96.5	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-66.8	-40.6	174.5	163	0	0	0	0	111.5	T306 V371 V380 D381 P382 K387 T388 L407	T306-V384 HydrophobicContact CG2-CB 4.34Å; T306-V384 HydrophobicContact CG2-CG1 3.79Å; T306-V384 HydrophobicContact CG2-CG2 4.23Å; V371-V384 HydrophobicContact CB-CG2 3.72Å; V371-V384 HydrophobicContact CG1-CG2 4.33Å; V371-V384 HydrophobicContact CG2-CG2 3.57Å; V380-V384 HydrophobicContact CG2-CG2 4.09Å; V380-V384 PolarHBondContact O-N 3.39Å; D381-V384 PolarHBondContact O-N 3.17Å; P382-V384 VanDerWaalsContact C-N 3.35Å; P382-V384 PolarHBondContact O-N 2.95Å; V384-K387 PolarHBondContact O-N 2.87Å; V384-T388 WeakPolarHBondContact O-CB 3.36Å; V384-T388 PolarHBondContact O-N 3.49Å; V384-T388 PolarHBondContact O-OG1 3.36Å; V384-L407 HydrophobicContact CB-CD2 3.78Å; V384-L407 HydrophobicContact CG1-CD2 3.55Å; V384-L407 HydrophobicContact CG2-CD2 4.4Å
385	Q	98.1	Very high	96.4	Very high	10 Å²	10	25.5 Å²	25.5	5%	0.047	13%	0.13	C	C	.	.	H	α-helix	trans	-62	-47.4	175.3	-65.3	-56.1	-36.8	0	0	111.8	D381 P382 K387 T388 K389 S405 T423 T434 T437 F728	D381-Q385 WeakPolarHBondContact O-CG 3.33Å; D381-Q385 PolarHBondContact O-N 2.83Å; D381-Q385 VanDerWaalsContact O-N 3.1Å; P382-Q385 PolarHBondContact O-N 3.46Å; Q385-K387 PolarHBondContact O-N 2.7Å; Q385-T388 WeakPolarHBondContact O-CB 3.5Å; Q385-T388 PolarHBondContact O-N 3.08Å; Q385-K389 PolarHBondContact O-N 2.69Å; Q385-S405 PolarHBondContact NE2-OG 3.45Å; Q385-S405 PolarHBondContact OE1-OG 3.39Å; Q385-T423 HydrophobicContact CG-CG2 3.68Å; Q385-T434 HydrophobicContact CB-CG2 4.36Å; Q385-T434 WeakPolarHBondContact O-CG2 3.32Å; Q385-T434 PolarHBondContact OE1-OG1 2.87Å; Q385-T437 PolarHBondContact NE2-OG1 3.29Å; Q385-T437 PolarHBondContact OE1-OG1 2.83Å; Q385-F728 HydrophobicContact CB-CD2 3.82Å; Q385-F728 HydrophobicContact CB-CE2 3.9Å
386	G	97.9	Very high	96.2	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-59	-44.9	177.4	0	0	0	0	0	113.4	P382 K389 A390 F728 F732	P382-G386 PolarHBondContact O-N 3.38Å; G386-K389 PolarHBondContact O-N 3.3Å; G386-A390 PolarHBondContact O-N 3.05Å; G386-F728 WeakPolarHBondContact CA-O 3.21Å; G386-F732 WeakPolarHBondContact O-CA 3.48Å
387	K	96.4	Very high	96	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-63.2	-42.8	175.6	-177.7	172.4	-177.5	172.3	0	111.6	Y304 T306 S369 V371 V383 V384 Q385 K389 A390 E391 D586 S587 G731	Y304-K387 WeakPolarHBondContact OH-CE 3.39Å; T306-K387 HydrophobicContact CG2-CB 4.35Å; T306-K387 HydrophobicContact CG2-CD 4.01Å; T306-K387 HydrophobicContact CG2-CG 4.23Å; S369-K387 WeakPolarHBondContact OG-CE 3.46Å; S369-K387 PolarHBondContact OG-NZ 3Å; V371-K387 HydrophobicContact CG2-CD 3.83Å; V383-K387 WeakPolarHBondContact O-CB 3.24Å; V383-K387 PolarHBondContact O-N 3.44Å; V384-K387 PolarHBondContact O-N 2.87Å; Q385-K387 PolarHBondContact O-N 2.7Å; K387-K389 VanDerWaalsContact C-N 3.34Å; K387-K389 PolarHBondContact O-N 2.65Å; K387-A390 PolarHBondContact O-N 2.88Å; K387-E391 VanDerWaalsContact O-CG 3.3Å; K387-E391 WeakPolarHBondContact O-CG 3.13Å; K387-E391 PolarHBondContact O-N 3.49Å; K387-D586 PolarHBondContact NZ-O 2.91Å; K387-D586 IonicContact NZ-OD1 3.92Å; K387-D586 PolarHBondContact NZ-OD1 3.08Å; K387-S587 VanDerWaalsContact CE-OG 3.24Å; K387-S587 WeakPolarHBondContact CE-OG 3.37Å; K387-S587 PolarHBondContact NZ-OG 3.14Å; K387-G731 WeakPolarHBondContact CA-O 3.34Å; K387-G731 VanDerWaalsContact N-C 3.34Å
388	T	96.5	Very high	95.6	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-60.2	-44.5	176.3	-58.3	0	0	0	0	111.1	T306 V384 Q385 A390 E391 Q392 V403 T434	T306-T388 WeakPolarHBondContact CB-OG1 3.44Å; T306-T388 PolarHBondContact OG1-OG1 2.85Å; V384-T388 WeakPolarHBondContact O-CB 3.36Å; V384-T388 PolarHBondContact O-N 3.49Å; V384-T388 PolarHBondContact O-OG1 3.36Å; Q385-T388 WeakPolarHBondContact O-CB 3.5Å; Q385-T388 PolarHBondContact O-N 3.08Å; T388-A390 VanDerWaalsContact C-N 3.35Å; T388-A390 PolarHBondContact O-N 3.3Å; T388-E391 PolarHBondContact O-N 3.03Å; T388-Q392 WeakPolarHBondContact O-CG 3.42Å; T388-Q392 PolarHBondContact O-N 2.81Å; T388-V403 HydrophobicContact CG2-CG1 3.9Å; T388-T434 HydrophobicContact CG2-CG2 4.02Å
389	K	96.9	Very high	95.2	Very high	33 Å²	33	26.4 Å²	26.4	14%	0.143	15%	0.15	C	C	.	.	H	α-helix	trans	-63.2	-40.1	176.5	-174	61.9	166.5	-171.6	0	112.5	Q385 G386 K387 Q392 F393 T433 T434 F728 F732	Q385-K389 PolarHBondContact O-N 2.69Å; G386-K389 PolarHBondContact O-N 3.3Å; K387-K389 VanDerWaalsContact C-N 3.34Å; K387-K389 PolarHBondContact O-N 2.65Å; K389-Q392 WeakPolarHBondContact O-CB 3.37Å; K389-Q392 PolarHBondContact O-N 3.36Å; K389-F393 WeakPolarHBondContact O-CB 3.32Å; K389-F393 PolarHBondContact O-N 3.23Å; K389-T433 VanDerWaalsContact CD-O 3.3Å; K389-T433 WeakPolarHBondContact CD-O 3.36Å; K389-T433 WeakPolarHBondContact CE-O 3.35Å; K389-T433 PolarHBondContact NZ-O 3.42Å; K389-T434 HydrophobicContact CB-CG2 4.18Å; K389-F728 HydrophobicContact CB-CE1 4.09Å; K389-F728 HydrophobicContact CB-CE2 4.26Å; K389-F728 HydrophobicContact CB-CZ 3.44Å; K389-F728 VanDerWaalsContact CB-CZ 3.44Å; K389-F728 HydrophobicContact CG-CE1 4.23Å; K389-F728 HydrophobicContact CG-CZ 3.74Å; K389-F732 HydrophobicContact CB-CD2 4.28Å; K389-F732 HydrophobicContact CB-CE2 4.38Å; K389-F732 HydrophobicContact CG-CD2 4.23Å; K389-F732 HydrophobicContact CG-CE2 3.95Å
390	A	95.9	Very high	94.7	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-66	-42.2	176.9	0	0	0	0	0	112	G386 K387 T388 Q392 F393 Y394 F732 A735	G386-A390 PolarHBondContact O-N 3.05Å; K387-A390 PolarHBondContact O-N 2.88Å; T388-A390 VanDerWaalsContact C-N 3.35Å; T388-A390 PolarHBondContact O-N 3.3Å; A390-Q392 VanDerWaalsContact C-N 3.34Å; A390-Q392 PolarHBondContact O-N 3.16Å; A390-F393 WeakPolarHBondContact O-CB 3.27Å; A390-F393 PolarHBondContact O-N 3.47Å; A390-Y394 HydrophobicContact CB-CD2 4.31Å; A390-Y394 HydrophobicContact CB-CE2 4.14Å; A390-Y394 WeakPolarHBondContact O-CD2 3.42Å; A390-Y394 PolarHBondContact O-N 2.85Å; A390-F732 HydrophobicContact CB-CB 4.31Å; A390-F732 HydrophobicContact CB-CD1 3.8Å; A390-F732 HydrophobicContact CB-CD2 3.78Å; A390-F732 HydrophobicContact CB-CE1 3.94Å; A390-F732 HydrophobicContact CB-CE2 3.93Å; A390-F732 HydrophobicContact CB-CG 3.71Å; A390-F732 HydrophobicContact CB-CZ 4Å; A390-A735 HydrophobicContact CB-CB 3.41Å; A390-A735 VanDerWaalsContact CB-CB 3.41Å
391	E	94.2	Very high	94.2	Very high	36 Å²	36	29.1 Å²	29.1	17%	0.168	16%	0.164	C	C	.	.	H	α-helix	trans	-64.8	-37.6	175.4	-65.3	-74.2	-172.1	0	0	111.6	Y304 K387 T388 C395 V403	Y304-E391 HydrophobicContact CD1-CB 4.45Å; Y304-E391 HydrophobicContact CD1-CG 4.29Å; Y304-E391 HydrophobicContact CD2-CG 4.5Å; Y304-E391 HydrophobicContact CE1-CB 4.49Å; Y304-E391 HydrophobicContact CE1-CG 3.85Å; Y304-E391 VanDerWaalsContact CE2-CD 3.45Å; Y304-E391 HydrophobicContact CE2-CG 4.02Å; Y304-E391 WeakPolarHBondContact CE2-OE1 2.99Å; Y304-E391 VanDerWaalsContact CZ-CD 3.48Å; Y304-E391 PolarHBondContact OH-OE1 2.54Å; K387-E391 VanDerWaalsContact O-CG 3.3Å; K387-E391 WeakPolarHBondContact O-CG 3.13Å; K387-E391 PolarHBondContact O-N 3.49Å; T388-E391 PolarHBondContact O-N 3.03Å; E391-C395 WeakPolarHBondContact O-CB 3.45Å; E391-C395 PolarHBondContact O-N 3.35Å; E391-C395 PolarHBondContact O-SG 3.08Å; E391-V403 HydrophobicContact CB-CG1 3.87Å; E391-V403 HydrophobicContact CB-CG2 4.47Å
392	Q	94.2	Very high	93.8	Very high	3 Å²	3	33.2 Å²	33.2	1%	0.014	18%	0.179	C	C	.	.	H	α-helix	trans	-57.4	-49.8	169.7	-77.7	174.4	-16.7	0	0	111.1	T388 K389 A390 G396 D397 V403 T434	T388-Q392 WeakPolarHBondContact O-CG 3.42Å; T388-Q392 PolarHBondContact O-N 2.81Å; K389-Q392 WeakPolarHBondContact O-CB 3.37Å; K389-Q392 PolarHBondContact O-N 3.36Å; A390-Q392 VanDerWaalsContact C-N 3.34Å; A390-Q392 PolarHBondContact O-N 3.16Å; Q392-G396 PolarHBondContact O-N 3.4Å; Q392-G396 VanDerWaalsContact O-N 3.14Å; Q392-D397 HydrophobicContact CB-CB 4.41Å; Q392-D397 WeakPolarHBondContact CB-O 3.45Å; Q392-D397 HydrophobicContact CG-CB 4.43Å; Q392-D397 PolarHBondContact O-N 3.07Å; Q392-V403 HydrophobicContact CG-CB 3.58Å; Q392-V403 HydrophobicContact CG-CG1 4Å; Q392-V403 HydrophobicContact CG-CG2 4.19Å; Q392-V403 PolarHBondContact NE2-O 3.09Å; Q392-V403 VanDerWaalsContact NE2-O 3.09Å; Q392-T434 PolarHBondContact NE2-O 2.97Å
393	F	94.8	Very high	93.5	Very high	76 Å²	76	33.3 Å²	33.3	33%	0.333	18%	0.179	S	C	.	.	H	α-helix	trans	-60.5	-52.6	-179.7	179.6	-91	0	0	0	112.1	K389 A390 C395 G396 H670 P712 F732	K389-F393 WeakPolarHBondContact O-CB 3.32Å; K389-F393 PolarHBondContact O-N 3.23Å; A390-F393 WeakPolarHBondContact O-CB 3.27Å; A390-F393 PolarHBondContact O-N 3.47Å; F393-C395 VanDerWaalsContact C-N 3.34Å; F393-C395 PolarHBondContact O-N 3.32Å; F393-G396 PolarHBondContact O-N 2.95Å; F393-H670 AromaticContact CD1-CE1 3.95Å; F393-H670 AromaticContact CD1-ND1 3.94Å; F393-H670 HydrophobicContact CE1-CB 4.48Å; F393-H670 AromaticContact CE1-CE1 3.47Å; F393-H670 VanDerWaalsContact CE1-CE1 3.47Å; F393-H670 WeakPolarHBondContact CE1-CE1 3.33Å; F393-H670 AromaticContact CE1-CG 3.76Å; F393-H670 AromaticContact CE1-ND1 3.33Å; F393-H670 VanDerWaalsContact CE1-ND1 3.33Å; F393-H670 WeakPolarHBondContact CE1-ND1 3.36Å; F393-H670 AromaticContact CE1-NE2 3.96Å; F393-H670 AromaticContact CZ-CD2 3.84Å; F393-H670 AromaticContact CZ-CE1 3.58Å; F393-H670 AromaticContact CZ-CG 3.97Å; F393-H670 AromaticContact CZ-ND1 3.81Å; F393-H670 AromaticContact CZ-NE2 3.61Å; F393-P712 HydrophobicContact CZ-CB 4.05Å; F393-P712 HydrophobicContact CZ-CG 4.01Å; F393-F732 HydrophobicContact CB-CZ 4.27Å; F393-F732 HydrophobicContact CD1-CZ 4.49Å; F393-F732 HydrophobicContact CG-CZ 4.32Å
394	Y	92.7	Very high	93.2	Very high	81 Å²	81	33.6 Å²	33.6	32%	0.318	18%	0.181	S	C	.	.	H	α-helix	trans	-73.1	-23.5	-175	-68.5	-60.2	0	0	0	113.9	A390 H670 F732 A735 S736 A739	A390-Y394 HydrophobicContact CB-CD2 4.31Å; A390-Y394 HydrophobicContact CB-CE2 4.14Å; A390-Y394 WeakPolarHBondContact O-CD2 3.42Å; A390-Y394 PolarHBondContact O-N 2.85Å; Y394-H670 HydrophobicContact CE1-CB 4.46Å; Y394-H670 AromaticContact CZ-ND1 3.76Å; Y394-H670 PolarHBondContact OH-ND1 3.48Å; Y394-H670 VanDerWaalsContact OH-ND1 3.07Å; Y394-F732 HydrophobicContact CE2-CE1 4.34Å; Y394-A735 HydrophobicContact CD2-CB 4.11Å; Y394-A735 HydrophobicContact CE2-CB 4.11Å; Y394-S736 VanDerWaalsContact CZ-CB 3.46Å; Y394-A739 WeakPolarHBondContact OH-CB 3.36Å
395	C	90.7	Very high	93.1	Very high	42 Å²	42	33.6 Å²	33.6	28%	0.284	18%	0.181	S	C	.	.	H	α-helix	trans	-93.3	0.8	175	84.4	0	0	0	0	114	E391 F393 D397 R402 V403	E391-C395 WeakPolarHBondContact O-CB 3.45Å; E391-C395 PolarHBondContact O-N 3.35Å; E391-C395 PolarHBondContact O-SG 3.08Å; F393-C395 VanDerWaalsContact C-N 3.34Å; F393-C395 PolarHBondContact O-N 3.32Å; C395-D397 VanDerWaalsContact SG-CB 3.58Å; C395-R402 PolarHBondContact O-NH1 3.27Å; C395-V403 WeakPolarHBondContact SG-CG2 3.35Å
396	G	91.4	Very high	93	Very high	56 Å²	56	33.1 Å²	33.1	58%	0.577	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.7	27.6	178.9	0	0	0	0	0	113.9	Q392 F393 T398	Q392-G396 PolarHBondContact O-N 3.4Å; Q392-G396 VanDerWaalsContact O-N 3.14Å; F393-G396 PolarHBondContact O-N 2.95Å; G396-T398 PolarHBondContact O-N 3.36Å
397	D	91.8	Very high	93	Very high	9 Å²	9	33.1 Å²	33.1	5%	0.048	18%	0.179	C	C	.	.			trans	-93.2	80.5	179.9	-175.2	30.6	0	0	0	111.1	Q392 C395 D399 G400 N401 R402 V403	Q392-D397 HydrophobicContact CB-CB 4.41Å; Q392-D397 WeakPolarHBondContact CB-O 3.45Å; Q392-D397 HydrophobicContact CG-CB 4.43Å; Q392-D397 PolarHBondContact O-N 3.07Å; C395-D397 VanDerWaalsContact SG-CB 3.58Å; D397-D399 VanDerWaalsContact C-N 3.3Å; D397-G400 PolarHBondContact OD1-N 3.49Å; D397-G400 VanDerWaalsContact OD2-C 3.24Å; D397-G400 VanDerWaalsContact OD2-CA 3.25Å; D397-G400 WeakPolarHBondContact OD2-CA 3.33Å; D397-N401 PolarHBondContact OD1-N 2.92Å; D397-N401 PolarHBondContact OD2-N 3.15Å; D397-R402 HydrophobicContact CB-CB 4.11Å; D397-R402 HydrophobicContact CB-CG 4.4Å; D397-R402 PolarHBondContact OD1-N 3.45Å; D397-R402 WeakPolarHBondContact OD2-CA 3.46Å; D397-R402 WeakPolarHBondContact OD2-CB 3.4Å; D397-R402 PolarHBondContact OD2-N 2.98Å; D397-V403 HydrophobicContact CB-CG2 4.37Å; D397-V403 PolarHBondContact OD2-N 3.15Å
398	T	89.6	Confident	93.1	Very high	108 Å²	108	33.1 Å²	33.1	66%	0.663	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-21.1	-179.2	53.6	0	0	0	0	114	G396 H435	G396-T398 PolarHBondContact O-N 3.36Å; T398-H435 PolarHBondContact O-CE1 2.9Å; T398-H435 PolarHBondContact O-NE2 3.07Å; T398-H435 VanDerWaalsContact O-NE2 3.1Å
399	D	88.9	Confident	93.2	Very high	92 Å²	92	33.1 Å²	33.1	49%	0.492	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-2.2	-174.8	-53	-29.7	0	0	0	111.7	D397 N401 H498	D397-D399 VanDerWaalsContact C-N 3.3Å; D399-N401 VanDerWaalsContact C-N 3.28Å; D399-N401 VanDerWaalsContact CB-ND2 3.32Å; D399-N401 WeakPolarHBondContact CB-ND2 3.36Å; D399-N401 PolarHBondContact O-N 3.32Å; D399-H498 PolarHBondContact O-CE1 2.96Å; D399-H498 PolarHBondContact O-ND1 3.01Å; D399-H498 VanDerWaalsContact O-ND1 3.07Å
400	G	88	Confident	93.2	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.181	C	C	.	.	S	Bend	trans	66.6	25.6	-177.7	0	0	0	0	0	114.4	D397 R494	D397-G400 PolarHBondContact OD1-N 3.49Å; D397-G400 VanDerWaalsContact OD2-C 3.24Å; D397-G400 VanDerWaalsContact OD2-CA 3.25Å; D397-G400 WeakPolarHBondContact OD2-CA 3.33Å; G400-R494 VanDerWaalsContact O-CZ 3.31Å; G400-R494 PolarHBondContact O-NH1 3.39Å; G400-R494 PolarHBondContact O-NH2 3.49Å; G400-R494 VanDerWaalsContact O-NH2 3.13Å
401	N	88.5	Confident	93.2	Very high	63 Å²	63	32.6 Å²	32.6	34%	0.337	18%	0.182	S	C	.	.	S	Bend	trans	-82.1	-16.9	-177	-79.1	-41.8	0	0	0	113.6	D397 D399 H498	D397-N401 PolarHBondContact OD1-N 2.92Å; D397-N401 PolarHBondContact OD2-N 3.15Å; D399-N401 VanDerWaalsContact C-N 3.28Å; D399-N401 VanDerWaalsContact CB-ND2 3.32Å; D399-N401 WeakPolarHBondContact CB-ND2 3.36Å; D399-N401 PolarHBondContact O-N 3.32Å; N401-H498 PolarHBondContact OD1-CE1 3.12Å
402	R	88.9	Confident	93.3	Very high	88 Å²	88	32.2 Å²	32.2	33%	0.332	19%	0.185	S	C	.	.	S	Bend	trans	-113.3	-34.1	-173.5	-56.4	178.6	57.9	-161.4	-6.7	112.1	T300 S303 Y304 C395 D397	T300-R402 WeakPolarHBondContact OG1-CG 3.33Å; S303-R402 CarbonylContact C-O 3.59Å; S303-R402 WeakPolarHBondContact CA-O 3.41Å; S303-R402 WeakPolarHBondContact CB-O 3.3Å; Y304-R402 PolarHBondContact N-O 3.05Å; C395-R402 PolarHBondContact O-NH1 3.27Å; D397-R402 HydrophobicContact CB-CB 4.11Å; D397-R402 HydrophobicContact CB-CG 4.4Å; D397-R402 PolarHBondContact OD1-N 3.45Å; D397-R402 WeakPolarHBondContact OD2-CA 3.46Å; D397-R402 WeakPolarHBondContact OD2-CB 3.4Å; D397-R402 PolarHBondContact OD2-N 2.98Å
403	V	92.3	Very high	93.5	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.012	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	129.8	-175.9	-173.4	0	0	0	0	109.8	Y304 T388 E391 Q392 C395 D397 R494	Y304-V403 HydrophobicContact CD1-CG1 4.18Å; Y304-V403 HydrophobicContact CG-CG1 4.47Å; Y304-V403 VanDerWaalsContact O-CA 3.27Å; Y304-V403 WeakPolarHBondContact O-CA 3.39Å; T388-V403 HydrophobicContact CG2-CG1 3.9Å; E391-V403 HydrophobicContact CB-CG1 3.87Å; E391-V403 HydrophobicContact CB-CG2 4.47Å; Q392-V403 HydrophobicContact CG-CB 3.58Å; Q392-V403 HydrophobicContact CG-CG1 4Å; Q392-V403 HydrophobicContact CG-CG2 4.19Å; Q392-V403 PolarHBondContact NE2-O 3.09Å; Q392-V403 VanDerWaalsContact NE2-O 3.09Å; C395-V403 WeakPolarHBondContact SG-CG2 3.35Å; D397-V403 HydrophobicContact CB-CG2 4.37Å; D397-V403 PolarHBondContact OD2-N 3.15Å; V403-R494 PolarHBondContact O-NH2 2.78Å
404	M	92.2	Very high	93.6	Very high	6 Å²	6	29 Å²	29	3%	0.03	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	163	177.1	73.5	175.5	-70.9	0	0	112.8	I293 S297 Y304 L305 T306 I406 V438 R494	I293-M404 HydrophobicContact CG2-CE 4.46Å; S297-M404 PolarHBondContact OG-SD 3.35Å; Y304-M404 PolarHBondContact O-N 2.88Å; L305-M404 WeakPolarHBondContact CA-O 3.25Å; L305-M404 HydrophobicContact CD2-CG 3.77Å; L305-M404 HydrophobicContact CD2-SD 3.95Å; L305-M404 HydrophobicContact CG-CG 3.83Å; T306-M404 PolarHBondContact N-O 2.98Å; M404-I406 HydrophobicContact CE-CG1 4.42Å; M404-V438 HydrophobicContact CE-CB 4.38Å; M404-V438 HydrophobicContact CE-CG2 3.61Å; M404-R494 VanDerWaalsContact CB-NH2 3.26Å; M404-R494 HydrophobicContact CE-CG 4.34Å
405	S	94.8	Very high	93.9	Very high	0 Å²	0	27 Å²	27	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	145.7	176.4	44.4	0	0	0	0	111.8	T306 Q385 T437 V438	T306-S405 CarbonylContact O-C 3.56Å; T306-S405 VanDerWaalsContact O-CA 3.29Å; T306-S405 WeakPolarHBondContact O-CA 3.41Å; Q385-S405 PolarHBondContact NE2-OG 3.45Å; Q385-S405 PolarHBondContact OE1-OG 3.39Å; S405-T437 PolarHBondContact OG-OG1 2.75Å; S405-V438 PolarHBondContact O-N 3.16Å
406	I	96.8	Very high	94.2	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	122.9	167.2	-56.3	173.7	0	0	0	107.4	L290 I293 I294 L305 T306 V307 S308 M404 V438	L290-I406 HydrophobicContact CD2-CG2 3.86Å; I293-I406 HydrophobicContact CB-CD1 4.37Å; I293-I406 HydrophobicContact CG2-CD1 3.64Å; I293-I406 HydrophobicContact CG2-CG1 4.17Å; I294-I406 HydrophobicContact CG1-CD1 4.25Å; L305-I406 HydrophobicContact CD2-CD1 3.83Å; L305-I406 HydrophobicContact CD2-CG1 4.43Å; T306-I406 PolarHBondContact O-N 2.95Å; V307-I406 WeakPolarHBondContact CA-O 3.49Å; V307-I406 HydrophobicContact CG2-CB 4.45Å; S308-I406 PolarHBondContact N-O 2.6Å; M404-I406 HydrophobicContact CE-CG1 4.42Å; I406-V438 WeakPolarHBondContact CA-O 3.36Å
407	L	97.9	Very high	94.5	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	131	176.2	-64.9	-179	0	0	0	110.5	S308 D381 V384 H409 T437 V438 H439 V440	S308-L407 WeakPolarHBondContact OG-CA 3.38Å; S308-L407 VanDerWaalsContact OG-CD2 3.25Å; S308-L407 WeakPolarHBondContact OG-CD2 3.47Å; D381-L407 HydrophobicContact CB-CD1 3.96Å; D381-L407 HydrophobicContact CB-CD2 4.47Å; V384-L407 HydrophobicContact CB-CD2 3.78Å; V384-L407 HydrophobicContact CG1-CD2 3.55Å; V384-L407 HydrophobicContact CG2-CD2 4.4Å; L407-H409 VanDerWaalsContact CB-NE2 3.3Å; L407-H409 WeakPolarHBondContact CB-NE2 3.49Å; L407-T437 HydrophobicContact CB-CG2 4.22Å; L407-T437 HydrophobicContact CD1-CG2 3.97Å; L407-T437 HydrophobicContact CG-CG2 3.75Å; L407-V438 PolarHBondContact N-O 3.01Å; L407-H439 CarbonylContact O-C 3.54Å; L407-H439 WeakPolarHBondContact O-CA 3.35Å; L407-V440 PolarHBondContact O-N 2.85Å
408	L	97.9	Very high	94.8	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	129.1	178.6	-65.1	174.3	0	0	0	109.4	L286 L290 S308 N309 V317 V440	L286-L408 HydrophobicContact CD1-CD2 4Å; L290-L408 HydrophobicContact CD1-CD1 4Å; L290-L408 HydrophobicContact CD1-CD2 4.21Å; L290-L408 HydrophobicContact CD2-CD2 3.65Å; L290-L408 HydrophobicContact CD2-CG 4.46Å; L290-L408 HydrophobicContact CG-CD2 4.36Å; S308-L408 WeakPolarHBondContact O-CD1 3.46Å; S308-L408 WeakPolarHBondContact O-CG 3.14Å; S308-L408 PolarHBondContact OG-N 3.37Å; S308-L408 VanDerWaalsContact OG-N 3.14Å; N309-L408 HydrophobicContact CB-CD1 3.77Å; N309-L408 VanDerWaalsContact OD1-CD1 3.28Å; N309-L408 WeakPolarHBondContact OD1-CD1 3.41Å; V317-L408 HydrophobicContact CG2-CD1 4.45Å; L408-V440 WeakPolarHBondContact CA-O 3.45Å; L408-V440 HydrophobicContact CD2-CB 3.63Å; L408-V440 HydrophobicContact CD2-CG1 4.11Å; L408-V440 HydrophobicContact CD2-CG2 4.26Å
409	H	98.1	Very high	95.2	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	161.4	-173.2	-47.4	-81.8	0	0	0	112.1	E378 D381 L407 F414 H439 V440 V441 V442	E378-H409 IonicContact OE2-CE1 2.68Å; E378-H409 IonicContact OE2-CG 2.62Å; E378-H409 IonicContact OE2-ND1 3.4Å; E378-H409 PolarHBondContact OE2-ND1 3.37Å; D381-H409 IonicContact OD1-CE1 3.67Å; D381-H409 IonicContact OD2-CE1 3.2Å; D381-H409 PolarHBondContact OD2-CE1 3.33Å; D381-H409 IonicContact OD2-ND1 3.27Å; D381-H409 PolarHBondContact OD2-ND1 2.93Å; L407-H409 VanDerWaalsContact CB-NE2 3.3Å; L407-H409 WeakPolarHBondContact CB-NE2 3.49Å; H409-F414 HydrophobicContact CB-CB 4.02Å; H409-F414 HydrophobicContact CB-CD2 3.62Å; H409-F414 HydrophobicContact CB-CE2 4.41Å; H409-F414 HydrophobicContact CB-CG 4.12Å; H409-F414 AromaticContact CD2-CD2 3.56Å; H409-F414 AromaticContact CD2-CE2 3.46Å; H409-F414 VanDerWaalsContact CD2-CE2 3.46Å; H409-F414 WeakPolarHBondContact CD2-CE2 3.17Å; H409-F414 AromaticContact CE1-CD2 3.92Å; H409-F414 AromaticContact CE1-CE2 3.8Å; H409-F414 AromaticContact CG-CD2 3.31Å; H409-F414 AromaticContact CG-CE2 3.72Å; H409-F414 AromaticContact ND1-CD2 3.58Å; H409-F414 AromaticContact ND1-CE2 3.93Å; H409-F414 AromaticContact NE2-CD2 3.94Å; H409-F414 AromaticContact NE2-CE2 3.52Å; H409-H439 AromaticContact CE1-ND1 3.86Å; H409-H439 AromaticContact NE2-CG 3.81Å; H409-H439 AromaticContact NE2-ND1 3.01Å; H409-H439 PolarHBondContact NE2-ND1 3.42Å; H409-V440 PolarHBondContact N-O 3.18Å; H409-V441 HydrophobicContact CB-CG2 4.28Å; H409-V442 PolarHBondContact O-N 2.88Å
410	G	97	Very high	95.7	Very high	18 Å²	18	21.4 Å²	21.4	19%	0.186	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	146	162.5	0	0	0	0	0	110.7	A412 A413 F414	G410-A412 PolarHBondContact O-N 3.31Å; G410-A413 PolarHBondContact O-N 3.01Å; G410-F414 WeakPolarHBondContact O-CB 3.46Å; G410-F414 PolarHBondContact O-N 2.85Å
411	D	96.4	Very high	96.2	Very high	4 Å²	4	26.7 Å²	26.7	2%	0.021	16%	0.164	C	C	.	.	H	α-helix	trans	-53	-49.3	-175.2	53.1	-59.7	0	0	0	114.1	A413 A415 V441 N443 N444 I446 P461	D411-A413 PolarHBondContact O-N 3.16Å; D411-A415 PolarHBondContact O-N 3.07Å; D411-V441 HydrophobicContact CB-CG1 4.34Å; D411-N443 HydrophobicContact CB-CB 4.01Å; D411-N444 PolarHBondContact OD1-OD1 2.78Å; D411-I446 PolarHBondContact OD2-N 2.97Å; D411-P461 HydrophobicContact CB-CB 3.9Å; D411-P461 HydrophobicContact CB-CG 3.91Å; D411-P461 WeakPolarHBondContact O-CB 3.19Å
412	A	96.6	Very high	96.7	Very high	27 Å²	27	25.9 Å²	25.9	22%	0.223	16%	0.158	C	C	.	.	H	α-helix	trans	-67.7	-36.3	-177.7	0	0	0	0	0	112.9	G410 G416 A455	G410-A412 PolarHBondContact O-N 3.31Å; A412-G416 PolarHBondContact O-N 2.76Å; A412-G416 VanDerWaalsContact O-N 3.08Å; A412-A455 HydrophobicContact CB-CB 4.45Å
413	A	97.6	Very high	97.1	Very high	10 Å²	10	22 Å²	22	8%	0.083	15%	0.145	C	C	.	.	H	α-helix	trans	-77.4	-39.8	-178.9	0	0	0	0	0	111.5	L377 E378 G410 D411 A415 G416 Q417	L377-A413 HydrophobicContact CB-CB 3.77Å; L377-A413 HydrophobicContact CD1-CB 3.62Å; L377-A413 HydrophobicContact CG-CB 4.31Å; E378-A413 HydrophobicContact CG-CB 3.98Å; E378-A413 WeakPolarHBondContact OE1-CB 3.44Å; G410-A413 PolarHBondContact O-N 3.01Å; D411-A413 PolarHBondContact O-N 3.16Å; A413-A415 VanDerWaalsContact C-N 3.27Å; A413-A415 PolarHBondContact O-N 3.44Å; A413-G416 PolarHBondContact O-N 2.84Å; A413-G416 VanDerWaalsContact O-N 3.15Å; A413-Q417 HydrophobicContact CB-CG 4.37Å; A413-Q417 WeakPolarHBondContact O-CB 3.49Å; A413-Q417 WeakPolarHBondContact O-CG 3.49Å; A413-Q417 PolarHBondContact O-N 2.81Å
414	F	98.1	Very high	97.4	Very high	1 Å²	1	22 Å²	22	0%	0.004	15%	0.145	C	C	.	.	H	α-helix	trans	-56.2	-41.5	174.9	-164.1	-110.7	0	0	0	112.2	H409 G410 V420 F424 V441 P461 T462 V464 V502	H409-F414 HydrophobicContact CB-CB 4.02Å; H409-F414 HydrophobicContact CB-CD2 3.62Å; H409-F414 HydrophobicContact CB-CE2 4.41Å; H409-F414 HydrophobicContact CB-CG 4.12Å; H409-F414 AromaticContact CD2-CD2 3.56Å; H409-F414 AromaticContact CD2-CE2 3.46Å; H409-F414 VanDerWaalsContact CD2-CE2 3.46Å; H409-F414 WeakPolarHBondContact CD2-CE2 3.17Å; H409-F414 AromaticContact CE1-CD2 3.92Å; H409-F414 AromaticContact CE1-CE2 3.8Å; H409-F414 AromaticContact CG-CD2 3.31Å; H409-F414 AromaticContact CG-CE2 3.72Å; H409-F414 AromaticContact ND1-CD2 3.58Å; H409-F414 AromaticContact ND1-CE2 3.93Å; H409-F414 AromaticContact NE2-CD2 3.94Å; H409-F414 AromaticContact NE2-CE2 3.52Å; G410-F414 WeakPolarHBondContact O-CB 3.46Å; G410-F414 PolarHBondContact O-N 2.85Å; F414-V420 HydrophobicContact CD2-CG1 3.66Å; F414-V420 HydrophobicContact CD2-CG2 4.36Å; F414-V420 HydrophobicContact CE2-CG1 3.58Å; F414-V420 HydrophobicContact CG-CG1 4.32Å; F414-V420 HydrophobicContact CZ-CG1 4.15Å; F414-F424 HydrophobicContact CE1-CE2 4.38Å; F414-F424 AromaticContact CE2-CE2 3.85Å; F414-F424 HydrophobicContact CE2-CE2 3.85Å; F414-F424 HydrophobicContact CE2-CZ 4.2Å; F414-F424 AromaticContact CZ-CE2 3.46Å; F414-F424 HydrophobicContact CZ-CE2 3.46Å; F414-F424 VanDerWaalsContact CZ-CE2 3.46Å; F414-F424 AromaticContact CZ-CZ 3.67Å; F414-F424 HydrophobicContact CZ-CZ 3.67Å; F414-V441 HydrophobicContact CB-CG1 4.5Å; F414-V441 HydrophobicContact CD1-CG2 3.89Å; F414-V441 HydrophobicContact CD2-CG2 4.26Å; F414-V441 HydrophobicContact CE1-CG2 4.02Å; F414-V441 HydrophobicContact CE2-CG2 4.36Å; F414-V441 HydrophobicContact CG-CG2 4Å; F414-V441 HydrophobicContact CZ-CG2 4.22Å; F414-P461 WeakPolarHBondContact CD1-O 3.34Å; F414-T462 HydrophobicContact CD1-CG2 4.35Å; F414-T462 HydrophobicContact CE1-CG2 4.11Å; F414-V464 HydrophobicContact CD1-CG1 3.85Å; F414-V464 HydrophobicContact CE1-CG1 3.49Å; F414-V464 VanDerWaalsContact CE1-CG1 3.49Å; F414-V464 HydrophobicContact CZ-CG1 3.98Å; F414-V502 HydrophobicContact CZ-CG1 4.49Å
415	A	97.8	Very high	97.6	Very high	39 Å²	39	25.3 Å²	25.3	32%	0.322	16%	0.16	S	C	.	.	H	α-helix	trans	-80.2	-28.5	177.7	0	0	0	0	0	113.9	D411 A413 R456 P461	D411-A415 PolarHBondContact O-N 3.07Å; A413-A415 VanDerWaalsContact C-N 3.27Å; A413-A415 PolarHBondContact O-N 3.44Å; A415-R456 HydrophobicContact CB-CB 4Å; A415-P461 HydrophobicContact CB-CB 4.29Å
416	G	97.4	Very high	97.7	Very high	51 Å²	51	25.5 Å²	25.5	53%	0.526	16%	0.161	S	C	.	.	H	α-helix	trans	-100.6	-22.5	-167.8	0	0	0	0	0	115.9	A412 A413	A412-G416 PolarHBondContact O-N 2.76Å; A412-G416 VanDerWaalsContact O-N 3.08Å; A413-G416 PolarHBondContact O-N 2.84Å; A413-G416 VanDerWaalsContact O-N 3.15Å
417	Q	98.2	Very high	97.6	Very high	86 Å²	86	25.8 Å²	25.8	40%	0.402	16%	0.163	S	C	.	.			trans	-94.2	118.7	-175.9	-63.7	-61.1	-56.1	0	0	111.4	E378 A413 I419 V420	E378-Q417 HydrophobicContact CB-CB 4.13Å; E378-Q417 HydrophobicContact CB-CG 4.42Å; E378-Q417 HydrophobicContact CG-CB 3.98Å; E378-Q417 HydrophobicContact CG-CG 4Å; A413-Q417 HydrophobicContact CB-CG 4.37Å; A413-Q417 WeakPolarHBondContact O-CB 3.49Å; A413-Q417 WeakPolarHBondContact O-CG 3.49Å; A413-Q417 PolarHBondContact O-N 2.81Å; Q417-I419 HydrophobicContact CB-CG2 4.09Å; Q417-I419 PolarHBondContact O-N 3Å; Q417-I419 VanDerWaalsContact O-N 3.12Å; Q417-V420 HydrophobicContact CB-CG2 4.27Å; Q417-V420 WeakPolarHBondContact O-CB 3.4Å; Q417-V420 WeakPolarHBondContact O-CG2 3.28Å; Q417-V420 PolarHBondContact O-N 2.86Å; Q417-V420 VanDerWaalsContact O-N 3.08Å
418	G	98.2	Very high	97.4	Very high	49 Å²	49	29.9 Å²	29.9	51%	0.505	19%	0.185	S	C	.	.	H	α-helix	trans	-59.7	-24.8	-179.4	0	0	0	0	0	114.7	V420 Y421 E422	G418-V420 PolarHBondContact O-N 2.78Å; G418-Y421 WeakPolarHBondContact O-CB 3.15Å; G418-Y421 PolarHBondContact O-N 3.07Å; G418-Y421 VanDerWaalsContact O-N 3.16Å; G418-E422 PolarHBondContact O-N 3.32Å
419	I	98.3	Very high	97.3	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.01	20%	0.197	C	C	.	.	H	α-helix	trans	-63.5	-24.2	177	-165.5	54.6	0	0	0	113.2	E378 P382 Q417 E422 T423 Y723 G724	E378-I419 HydrophobicContact CB-CG2 3.58Å; P382-I419 HydrophobicContact CG-CD1 3.99Å; P382-I419 HydrophobicContact CG-CG1 4.05Å; Q417-I419 HydrophobicContact CB-CG2 4.09Å; Q417-I419 PolarHBondContact O-N 3Å; Q417-I419 VanDerWaalsContact O-N 3.12Å; I419-E422 HydrophobicContact CD1-CB 4.2Å; I419-E422 PolarHBondContact O-N 3.49Å; I419-T423 WeakPolarHBondContact O-CB 3.27Å; I419-T423 PolarHBondContact O-N 2.68Å; I419-T423 PolarHBondContact O-OG1 2.63Å; I419-Y723 HydrophobicContact CB-CD1 4Å; I419-Y723 HydrophobicContact CB-CE1 3.77Å; I419-Y723 VanDerWaalsContact CD1-C 3.49Å; I419-Y723 HydrophobicContact CD1-CD1 3.79Å; I419-Y723 HydrophobicContact CD1-CD2 3.58Å; I419-Y723 HydrophobicContact CD1-CE1 4.23Å; I419-Y723 HydrophobicContact CD1-CE2 4.03Å; I419-Y723 HydrophobicContact CD1-CG 3.45Å; I419-Y723 VanDerWaalsContact CD1-CG 3.45Å; I419-Y723 HydrophobicContact CG1-CD1 4.17Å; I419-Y723 HydrophobicContact CG1-CD2 4.13Å; I419-Y723 HydrophobicContact CG1-CE1 4.1Å; I419-Y723 HydrophobicContact CG1-CE2 4.05Å; I419-Y723 HydrophobicContact CG1-CG 4.19Å; I419-Y723 HydrophobicContact CG2-CE1 4.43Å; I419-G724 VanDerWaalsContact CD1-CA 3.48Å; I419-G724 VanDerWaalsContact CD1-N 3.27Å
420	V	98.5	Very high	97	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.012	23%	0.232	C	C	.	.	H	α-helix	trans	-65.6	-48.5	174.4	177	0	0	0	0	109.8	E378 F414 Q417 G418 T423 F424 V464	E378-V420 HydrophobicContact CB-CG2 3.63Å; E378-V420 HydrophobicContact CG-CG2 3.55Å; F414-V420 HydrophobicContact CD2-CG1 3.66Å; F414-V420 HydrophobicContact CD2-CG2 4.36Å; F414-V420 HydrophobicContact CE2-CG1 3.58Å; F414-V420 HydrophobicContact CG-CG1 4.32Å; F414-V420 HydrophobicContact CZ-CG1 4.15Å; Q417-V420 HydrophobicContact CB-CG2 4.27Å; Q417-V420 WeakPolarHBondContact O-CB 3.4Å; Q417-V420 WeakPolarHBondContact O-CG2 3.28Å; Q417-V420 PolarHBondContact O-N 2.86Å; Q417-V420 VanDerWaalsContact O-N 3.08Å; G418-V420 PolarHBondContact O-N 2.78Å; V420-T423 PolarHBondContact O-N 3.44Å; V420-F424 HydrophobicContact CG1-CD2 3.91Å; V420-F424 HydrophobicContact CG1-CE2 3.76Å; V420-F424 VanDerWaalsContact O-CD2 3.32Å; V420-F424 WeakPolarHBondContact O-CD2 3.33Å; V420-F424 PolarHBondContact O-N 2.96Å; V420-V464 HydrophobicContact CG1-CG1 3.91Å; V420-V464 HydrophobicContact CG1-CG2 4.43Å
421	Y	98.3	Very high	96.9	Very high	111 Å²	111	38.7 Å²	38.7	44%	0.435	24%	0.237	S	C	.	.	H	α-helix	trans	-59.9	-47.7	173.8	168.5	-88.6	0	0	0	111.2	G418 T423 F424 H425 V467	G418-Y421 WeakPolarHBondContact O-CB 3.15Å; G418-Y421 PolarHBondContact O-N 3.07Å; G418-Y421 VanDerWaalsContact O-N 3.16Å; Y421-T423 PolarHBondContact O-N 3.26Å; Y421-F424 PolarHBondContact O-N 3.05Å; Y421-H425 HydrophobicContact CE1-CB 4.47Å; Y421-H425 WeakPolarHBondContact O-CB 3.3Å; Y421-H425 PolarHBondContact O-N 3.03Å; Y421-V467 HydrophobicContact CD2-CB 4.37Å; Y421-V467 HydrophobicContact CD2-CG1 4.18Å; Y421-V467 HydrophobicContact CD2-CG2 4.14Å; Y421-V467 HydrophobicContact CE2-CB 4.14Å; Y421-V467 HydrophobicContact CE2-CG1 4.3Å; Y421-V467 HydrophobicContact CE2-CG2 3.45Å; Y421-V467 VanDerWaalsContact CE2-CG2 3.45Å
422	E	98.5	Very high	96.9	Very high	47 Å²	47	38.8 Å²	38.8	22%	0.22	24%	0.236	C	C	.	.	H	α-helix	trans	-59.2	-38.1	179.3	-71.4	-175.3	-138.7	0	0	111.5	G418 I419 H425 L426 S721 G724	G418-E422 PolarHBondContact O-N 3.32Å; I419-E422 HydrophobicContact CD1-CB 4.2Å; I419-E422 PolarHBondContact O-N 3.49Å; E422-H425 WeakPolarHBondContact O-CB 3.42Å; E422-H425 PolarHBondContact O-N 2.88Å; E422-L426 WeakPolarHBondContact O-CG 3.36Å; E422-L426 PolarHBondContact O-N 2.84Å; E422-S721 WeakPolarHBondContact OE2-CB 3.48Å; E422-S721 PolarHBondContact OE2-OG 2.71Å; E422-G724 PolarHBondContact OE2-N 2.86Å
423	T	98.3	Very high	96.9	Very high	7 Å²	7	38.3 Å²	38.3	4%	0.043	23%	0.231	C	C	.	.	H	α-helix	trans	-69.6	-45.1	178	-55.4	0	0	0	0	112	D381 P382 Q385 I419 V420 Y421 H425 L426	D381-T423 HydrophobicContact CB-CG2 4.14Å; P382-T423 WeakPolarHBondContact CD-OG1 3.47Å; Q385-T423 HydrophobicContact CG-CG2 3.68Å; I419-T423 WeakPolarHBondContact O-CB 3.27Å; I419-T423 PolarHBondContact O-N 2.68Å; I419-T423 PolarHBondContact O-OG1 2.63Å; V420-T423 PolarHBondContact O-N 3.44Å; Y421-T423 PolarHBondContact O-N 3.26Å; T423-H425 VanDerWaalsContact C-N 3.26Å; T423-H425 PolarHBondContact O-N 3.07Å; T423-L426 WeakPolarHBondContact O-CB 3.31Å; T423-L426 PolarHBondContact O-N 2.84Å; T423-L426 VanDerWaalsContact O-N 3.14Å
424	F	98.2	Very high	96.8	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.009	23%	0.227	C	C	.	.	H	α-helix	trans	-57.2	-42.8	172.1	-86.2	-61.9	0	0	0	111.3	F414 V420 Y421 L426 S427 H439 V464 A465 V467 V468 D500 V502	F414-F424 HydrophobicContact CE1-CE2 4.38Å; F414-F424 AromaticContact CE2-CE2 3.85Å; F414-F424 HydrophobicContact CE2-CE2 3.85Å; F414-F424 HydrophobicContact CE2-CZ 4.2Å; F414-F424 AromaticContact CZ-CE2 3.46Å; F414-F424 HydrophobicContact CZ-CE2 3.46Å; F414-F424 VanDerWaalsContact CZ-CE2 3.46Å; F414-F424 AromaticContact CZ-CZ 3.67Å; F414-F424 HydrophobicContact CZ-CZ 3.67Å; V420-F424 HydrophobicContact CG1-CD2 3.91Å; V420-F424 HydrophobicContact CG1-CE2 3.76Å; V420-F424 VanDerWaalsContact O-CD2 3.32Å; V420-F424 WeakPolarHBondContact O-CD2 3.33Å; V420-F424 PolarHBondContact O-N 2.96Å; Y421-F424 PolarHBondContact O-N 3.05Å; F424-L426 PolarHBondContact O-N 3.2Å; F424-S427 VanDerWaalsContact O-CB 3.24Å; F424-S427 WeakPolarHBondContact O-CB 3.11Å; F424-S427 PolarHBondContact O-N 3.14Å; F424-S427 PolarHBondContact O-OG 3Å; F424-S427 VanDerWaalsContact O-OG 3.12Å; F424-H439 AromaticContact CE1-CD2 3.76Å; F424-H439 AromaticContact CE1-CE1 3.52Å; F424-H439 AromaticContact CE1-NE2 3.28Å; F424-H439 VanDerWaalsContact CE1-NE2 3.28Å; F424-H439 WeakPolarHBondContact CE1-NE2 3.45Å; F424-H439 AromaticContact CZ-CD2 3.9Å; F424-H439 AromaticContact CZ-CE1 3.47Å; F424-H439 VanDerWaalsContact CZ-CE1 3.47Å; F424-H439 WeakPolarHBondContact CZ-CE1 3.34Å; F424-H439 AromaticContact CZ-CG 3.94Å; F424-H439 AromaticContact CZ-ND1 3.7Å; F424-H439 AromaticContact CZ-NE2 3.64Å; F424-V464 HydrophobicContact CD2-CG1 4.49Å; F424-V464 HydrophobicContact CE2-CG1 4.14Å; F424-A465 HydrophobicContact CE1-CB 4.18Å; F424-A465 HydrophobicContact CE2-CB 4.14Å; F424-A465 HydrophobicContact CZ-CB 3.78Å; F424-V467 HydrophobicContact CB-CG1 4.02Å; F424-V468 HydrophobicContact CB-CG1 4.22Å; F424-V468 HydrophobicContact CB-CG2 4.35Å; F424-V468 HydrophobicContact CD1-CG2 3.65Å; F424-V468 HydrophobicContact CE1-CG2 4.34Å; F424-V468 HydrophobicContact CG-CG2 4.29Å; F424-V468 VanDerWaalsContact O-CG1 3.26Å; F424-V468 WeakPolarHBondContact O-CG1 3.43Å; F424-D500 HydrophobicContact CD1-CB 4.42Å; F424-D500 VanDerWaalsContact CD1-OD2 3.27Å; F424-D500 WeakPolarHBondContact CD1-OD2 3.28Å; F424-D500 HydrophobicContact CE1-CB 4.08Å; F424-D500 WeakPolarHBondContact CE1-OD2 3.35Å; F424-V502 HydrophobicContact CZ-CG2 4.15Å
425	H	96.6	Very high	96.7	Very high	75 Å²	75	39.6 Å²	39.6	35%	0.347	24%	0.235	S	C	.	.	H	α-helix	trans	-58.9	-23.5	-179.5	-174.8	62.5	0	0	0	113.4	Y421 E422 T423 L429	Y421-H425 HydrophobicContact CE1-CB 4.47Å; Y421-H425 WeakPolarHBondContact O-CB 3.3Å; Y421-H425 PolarHBondContact O-N 3.03Å; E422-H425 WeakPolarHBondContact O-CB 3.42Å; E422-H425 PolarHBondContact O-N 2.88Å; T423-H425 VanDerWaalsContact C-N 3.26Å; T423-H425 PolarHBondContact O-N 3.07Å; H425-L429 WeakPolarHBondContact O-CG 3.49Å
426	L	97.1	Very high	96.5	Very high	4 Å²	4	37.7 Å²	37.7	2%	0.021	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-15.1	175.8	-60.9	179.9	0	0	0	114	E422 T423 F424 D428 L429 Y432 S719 V725 F728	E422-L426 WeakPolarHBondContact O-CG 3.36Å; E422-L426 PolarHBondContact O-N 2.84Å; T423-L426 WeakPolarHBondContact O-CB 3.31Å; T423-L426 PolarHBondContact O-N 2.84Å; T423-L426 VanDerWaalsContact O-N 3.14Å; F424-L426 PolarHBondContact O-N 3.2Å; L426-D428 VanDerWaalsContact C-N 3.29Å; L426-D428 PolarHBondContact O-N 3.45Å; L426-D428 VanDerWaalsContact O-N 3.15Å; L426-L429 HydrophobicContact CD2-CD1 3.81Å; L426-L429 PolarHBondContact O-N 2.83Å; L426-Y432 HydrophobicContact CD1-CD1 4.47Å; L426-Y432 HydrophobicContact CD2-CD1 4.3Å; L426-Y432 HydrophobicContact CD2-CD2 4.47Å; L426-Y432 HydrophobicContact CD2-CG 4.11Å; L426-S719 WeakPolarHBondContact CD2-OG 3.46Å; L426-V725 HydrophobicContact CD2-CG2 4.22Å; L426-F728 HydrophobicContact CD1-CB 4.39Å; L426-F728 HydrophobicContact CD1-CD2 4.22Å
427	S	94.6	Very high	96.5	Very high	7 Å²	7	35.3 Å²	35.3	5%	0.049	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-34.7	-164.6	74.9	0	0	0	0	114.3	F424 T433	F424-S427 VanDerWaalsContact O-CB 3.24Å; F424-S427 WeakPolarHBondContact O-CB 3.11Å; F424-S427 PolarHBondContact O-N 3.14Å; F424-S427 PolarHBondContact O-OG 3Å; F424-S427 VanDerWaalsContact O-OG 3.12Å; S427-T433 WeakPolarHBondContact O-CA 3.48Å; S427-T433 WeakPolarHBondContact O-CB 3.29Å; S427-T433 PolarHBondContact O-OG1 3.17Å
428	D	92.8	Very high	96.4	Very high	86 Å²	86	31.2 Å²	31.2	46%	0.46	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.9	3.5	-176.7	-78.1	6.4	0	0	0	112.8	L426	L426-D428 VanDerWaalsContact C-N 3.29Å; L426-D428 PolarHBondContact O-N 3.45Å; L426-D428 VanDerWaalsContact O-N 3.15Å
429	L	95.8	Very high	96.5	Very high	50 Å²	50	29 Å²	29	26%	0.262	15%	0.153	S	C	.	.			trans	-73.9	129.9	177.4	-60.4	-176.1	0	0	0	110	H425 L426 S431 Y432 T433	H425-L429 WeakPolarHBondContact O-CG 3.49Å; L426-L429 HydrophobicContact CD2-CD1 3.81Å; L426-L429 PolarHBondContact O-N 2.83Å; L429-S431 VanDerWaalsContact C-N 3.28Å; L429-S431 PolarHBondContact O-N 2.97Å; L429-Y432 HydrophobicContact CB-CD2 3.9Å; L429-Y432 HydrophobicContact CD1-CD2 4.29Å; L429-Y432 PolarHBondContact O-N 2.98Å; L429-T433 WeakPolarHBondContact O-CB 3.25Å; L429-T433 PolarHBondContact O-N 3.29Å
430	P	92.4	Very high	96.5	Very high	113 Å²	113	29 Å²	29	73%	0.734	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-38.4	-168.1	-30.8	35	0	0	0	115.8
431	S	94.5	Very high	96.5	Very high	40 Å²	40	28.9 Å²	28.9	28%	0.28	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-2.6	-177.6	-54.5	0	0	0	0	114.5	L429 R672 C716	L429-S431 VanDerWaalsContact C-N 3.28Å; L429-S431 PolarHBondContact O-N 2.97Å; S431-R672 PolarHBondContact O-NH1 3.41Å; S431-R672 PolarHBondContact O-NH2 3.14Å; S431-C716 VanDerWaalsContact CB-CB 3.4Å; S431-C716 WeakPolarHBondContact OG-CB 3.46Å
432	Y	97.4	Very high	96.5	Very high	5 Å²	5	23.6 Å²	23.6	2%	0.02	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.8	-23.3	-175.4	-58	-87.1	0	0	0	113.5	L426 L429 T434 S674 S718 V725 F728	L426-Y432 HydrophobicContact CD1-CD1 4.47Å; L426-Y432 HydrophobicContact CD2-CD1 4.3Å; L426-Y432 HydrophobicContact CD2-CD2 4.47Å; L426-Y432 HydrophobicContact CD2-CG 4.11Å; L429-Y432 HydrophobicContact CB-CD2 3.9Å; L429-Y432 HydrophobicContact CD1-CD2 4.29Å; L429-Y432 PolarHBondContact O-N 2.98Å; Y432-T434 PolarHBondContact O-N 3.16Å; Y432-S674 PolarHBondContact OH-OG 3.19Å; Y432-S718 WeakPolarHBondContact OH-CA 3.03Å; Y432-S718 WeakPolarHBondContact OH-CB 3.33Å; Y432-V725 HydrophobicContact CE1-CG1 4.16Å; Y432-F728 AromaticContact CD1-CD1 3.81Å; Y432-F728 HydrophobicContact CD1-CD1 3.81Å; Y432-F728 HydrophobicContact CD1-CD2 4.28Å; Y432-F728 AromaticContact CD1-CE1 3.85Å; Y432-F728 HydrophobicContact CD1-CE1 3.85Å; Y432-F728 HydrophobicContact CD1-CE2 4.3Å; Y432-F728 HydrophobicContact CD1-CG 4.03Å; Y432-F728 HydrophobicContact CD1-CZ 4.08Å; Y432-F728 HydrophobicContact CE1-CD1 4.25Å; Y432-F728 VanDerWaalsContact O-CE2 3.22Å; Y432-F728 WeakPolarHBondContact O-CE2 3.46Å; Y432-F728 WeakPolarHBondContact O-CZ 3.35Å
433	T	96.5	Very high	96.4	Very high	18 Å²	18	21.8 Å²	21.8	11%	0.11	12%	0.123	C	C	.	.			trans	-54.9	132.9	-178.4	-177.8	0	0	0	0	111.8	K389 S427 L429 H435	K389-T433 VanDerWaalsContact CD-O 3.3Å; K389-T433 WeakPolarHBondContact CD-O 3.36Å; K389-T433 WeakPolarHBondContact CE-O 3.35Å; K389-T433 PolarHBondContact NZ-O 3.42Å; S427-T433 WeakPolarHBondContact O-CA 3.48Å; S427-T433 WeakPolarHBondContact O-CB 3.29Å; S427-T433 PolarHBondContact O-OG1 3.17Å; L429-T433 WeakPolarHBondContact O-CB 3.25Å; L429-T433 PolarHBondContact O-N 3.29Å; T433-H435 PolarHBondContact OG1-N 3.47Å; T433-H435 VanDerWaalsContact OG1-N 3.13Å
434	T	95.5	Very high	96.3	Very high	1 Å²	1	22 Å²	22	1%	0.006	12%	0.124	C	C	.	.			trans	-104.6	15.1	172.2	54	0	0	0	0	111.6	Q385 T388 K389 Q392 Y432 R494	Q385-T434 HydrophobicContact CB-CG2 4.36Å; Q385-T434 WeakPolarHBondContact O-CG2 3.32Å; Q385-T434 PolarHBondContact OE1-OG1 2.87Å; T388-T434 HydrophobicContact CG2-CG2 4.02Å; K389-T434 HydrophobicContact CB-CG2 4.18Å; Q392-T434 PolarHBondContact NE2-O 2.97Å; Y432-T434 PolarHBondContact O-N 3.16Å; T434-R494 PolarHBondContact O-NH2 3.49Å
435	H	94.8	Very high	96.1	Very high	36 Å²	36	22 Å²	22	17%	0.167	12%	0.124	C	C	.	.	S	Bend	trans	59.2	46.2	-179.7	-59.3	-86.9	0	0	0	112.3	T398 T433 R494 H498	T398-H435 PolarHBondContact O-CE1 2.9Å; T398-H435 PolarHBondContact O-NE2 3.07Å; T398-H435 VanDerWaalsContact O-NE2 3.1Å; T433-H435 PolarHBondContact OG1-N 3.47Å; T433-H435 VanDerWaalsContact OG1-N 3.13Å; H435-R494 PolarHBondContact O-NE 3.04Å; H435-R494 VanDerWaalsContact O-NE 3.1Å; H435-R494 PolarHBondContact O-NH2 3.14Å; H435-H498 VanDerWaalsContact C-C 3.47Å; H435-H498 CarbonylContact C-O 3.56Å; H435-H498 HydrophobicContact CB-CB 3.95Å; H435-H498 CarbonylContact O-C 3.53Å; H435-H498 WeakPolarHBondContact O-CA 3.34Å
436	G	94.1	Very high	96	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.108	C	C	.	.			trans	86.9	133.2	174.5	0	0	0	0	0	114.6	R494 H498 D500	G436-R494 WeakPolarHBondContact O-CG 3.47Å; G436-R494 PolarHBondContact O-NE 3.33Å; G436-H498 PolarHBondContact N-O 2.78Å; G436-D500 VanDerWaalsContact CA-OD1 3.26Å; G436-D500 WeakPolarHBondContact CA-OD1 3.48Å
437	T	96.9	Very high	95.9	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	140.2	177.3	-57.2	0	0	0	0	110.7	Q385 S405 L407 H439 D500 V501	Q385-T437 PolarHBondContact NE2-OG1 3.29Å; Q385-T437 PolarHBondContact OE1-OG1 2.83Å; S405-T437 PolarHBondContact OG-OG1 2.75Å; L407-T437 HydrophobicContact CB-CG2 4.22Å; L407-T437 HydrophobicContact CD1-CG2 3.97Å; L407-T437 HydrophobicContact CG-CG2 3.75Å; T437-H439 WeakPolarHBondContact CB-NE2 3.37Å; T437-H439 PolarHBondContact O-CD2 3.29Å; T437-D500 PolarHBondContact N-OD1 2.83Å; T437-D500 VanDerWaalsContact O-CA 3.29Å; T437-D500 WeakPolarHBondContact O-CA 3.46Å; T437-V501 PolarHBondContact O-N 3.48Å
438	V	97.9	Very high	95.9	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	112.5	168.2	-177.6	0	0	0	0	108.8	I293 M404 S405 I406 L407 V440 A490 R494 V501	I293-V438 HydrophobicContact CD1-CG1 3.68Å; I293-V438 HydrophobicContact CG1-CG1 4.24Å; I293-V438 HydrophobicContact CG2-CB 4.43Å; I293-V438 HydrophobicContact CG2-CG1 4.32Å; I293-V438 HydrophobicContact CG2-CG2 4.36Å; M404-V438 HydrophobicContact CE-CB 4.38Å; M404-V438 HydrophobicContact CE-CG2 3.61Å; S405-V438 PolarHBondContact O-N 3.16Å; I406-V438 WeakPolarHBondContact CA-O 3.36Å; L407-V438 PolarHBondContact N-O 3.01Å; V438-V440 HydrophobicContact CG1-CG2 4.43Å; V438-A490 HydrophobicContact CG1-CB 4.32Å; V438-R494 HydrophobicContact CG2-CB 4.01Å; V438-R494 HydrophobicContact CG2-CG 4.27Å; V438-V501 HydrophobicContact CB-CG1 4.41Å; V438-V501 HydrophobicContact CG1-CG1 4.38Å; V438-V501 HydrophobicContact CG2-CG1 3.97Å
439	H	98.5	Very high	96.1	Very high	4 Å²	4	22 Å²	22	2%	0.019	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	133.4	176.7	-60.5	-102	0	0	0	109.8	L407 H409 F424 T437 D500 V501 V502 V503	L407-H439 CarbonylContact O-C 3.54Å; L407-H439 WeakPolarHBondContact O-CA 3.35Å; H409-H439 AromaticContact CE1-ND1 3.86Å; H409-H439 AromaticContact NE2-CG 3.81Å; H409-H439 AromaticContact NE2-ND1 3.01Å; H409-H439 PolarHBondContact NE2-ND1 3.42Å; F424-H439 AromaticContact CE1-CD2 3.76Å; F424-H439 AromaticContact CE1-CE1 3.52Å; F424-H439 AromaticContact CE1-NE2 3.28Å; F424-H439 VanDerWaalsContact CE1-NE2 3.28Å; F424-H439 WeakPolarHBondContact CE1-NE2 3.45Å; F424-H439 AromaticContact CZ-CD2 3.9Å; F424-H439 AromaticContact CZ-CE1 3.47Å; F424-H439 VanDerWaalsContact CZ-CE1 3.47Å; F424-H439 WeakPolarHBondContact CZ-CE1 3.34Å; F424-H439 AromaticContact CZ-CG 3.94Å; F424-H439 AromaticContact CZ-ND1 3.7Å; F424-H439 AromaticContact CZ-NE2 3.64Å; T437-H439 WeakPolarHBondContact CB-NE2 3.37Å; T437-H439 PolarHBondContact O-CD2 3.29Å; H439-D500 IonicContact NE2-OD2 3.83Å; H439-D500 PolarHBondContact NE2-OD2 2.83Å; H439-V501 PolarHBondContact N-O 3.31Å; H439-V502 HydrophobicContact CB-CB 4.41Å; H439-V502 HydrophobicContact CB-CG1 4.27Å; H439-V502 HydrophobicContact CB-CG2 4.09Å; H439-V503 PolarHBondContact O-N 2.94Å
440	V	98.6	Very high	96.1	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	113.1	174.7	-176.4	0	0	0	0	108.4	L286 L290 I293 L407 L408 H409 V438 V503 L505	L286-V440 HydrophobicContact CD1-CG1 3.85Å; L290-V440 HydrophobicContact CD2-CG2 4.36Å; I293-V440 HydrophobicContact CD1-CG2 3.75Å; L407-V440 PolarHBondContact O-N 2.85Å; L408-V440 WeakPolarHBondContact CA-O 3.45Å; L408-V440 HydrophobicContact CD2-CB 3.63Å; L408-V440 HydrophobicContact CD2-CG1 4.11Å; L408-V440 HydrophobicContact CD2-CG2 4.26Å; H409-V440 PolarHBondContact N-O 3.18Å; V438-V440 HydrophobicContact CG1-CG2 4.43Å; V440-V503 WeakPolarHBondContact CA-O 3.45Å; V440-L505 HydrophobicContact CG1-CD1 3.5Å; V440-L505 HydrophobicContact CG1-CG 3.85Å
441	V	98.5	Very high	96	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	119.3	179.2	-175	0	0	0	0	108.6	H409 D411 F414 N443 T462 V502 V503 L505	H409-V441 HydrophobicContact CB-CG2 4.28Å; D411-V441 HydrophobicContact CB-CG1 4.34Å; F414-V441 HydrophobicContact CB-CG1 4.5Å; F414-V441 HydrophobicContact CD1-CG2 3.89Å; F414-V441 HydrophobicContact CD2-CG2 4.26Å; F414-V441 HydrophobicContact CE1-CG2 4.02Å; F414-V441 HydrophobicContact CE2-CG2 4.36Å; F414-V441 HydrophobicContact CG-CG2 4Å; F414-V441 HydrophobicContact CZ-CG2 4.22Å; V441-N443 VanDerWaalsContact C-N 3.35Å; V441-N443 HydrophobicContact CG1-CB 4.35Å; V441-N443 PolarHBondContact O-N 3Å; V441-N443 VanDerWaalsContact O-N 3.13Å; V441-T462 HydrophobicContact CB-CG2 4.39Å; V441-T462 HydrophobicContact CG2-CG2 3.9Å; V441-V502 HydrophobicContact CG2-CG1 3.97Å; V441-V503 PolarHBondContact N-O 3.37Å; V441-L505 WeakPolarHBondContact O-CB 3.42Å; V441-L505 PolarHBondContact O-N 3.36Å
442	V	98	Very high	95.9	Very high	1 Å²	1	18 Å²	18	1%	0.006	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	85.4	172.1	-178.8	0	0	0	0	107.9	C283 L286 R312 H409 N444	C283-V442 HydrophobicContact CB-CG1 4.19Å; L286-V442 HydrophobicContact CD1-CG2 4.12Å; L286-V442 HydrophobicContact CD2-CG2 3.99Å; R312-V442 HydrophobicContact CG-CG1 4.11Å; H409-V442 PolarHBondContact O-N 2.88Å; V442-N444 PolarHBondContact O-N 3.47Å; V442-N444 VanDerWaalsContact O-N 3.14Å
443	N	97.3	Very high	95.5	Very high	8 Å²	8	25.3 Å²	25.3	4%	0.043	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	82.2	-175.9	179.3	5.8	0	0	0	110.8	D411 V441 Q445 D504 L505 C507	D411-N443 HydrophobicContact CB-CB 4.01Å; V441-N443 VanDerWaalsContact C-N 3.35Å; V441-N443 HydrophobicContact CG1-CB 4.35Å; V441-N443 PolarHBondContact O-N 3Å; V441-N443 VanDerWaalsContact O-N 3.13Å; N443-Q445 PolarHBondContact O-N 3.46Å; N443-Q445 PolarHBondContact OD1-N 2.87Å; N443-D504 WeakPolarHBondContact CB-OD1 3.18Å; N443-D504 PolarHBondContact ND2-OD1 2.93Å; N443-D504 PolarHBondContact ND2-OD2 2.9Å; N443-L505 PolarHBondContact N-O 2.72Å; N443-C507 VanDerWaalsContact C-SG 3.56Å; N443-C507 PolarHBondContact O-N 2.82Å; N443-C507 PolarHBondContact O-SG 2.81Å
444	N	95.7	Very high	95.2	Very high	13 Å²	13	31.5 Å²	31.5	7%	0.07	16%	0.156	C	C	.	.			trans	-83.4	10	177.7	61.5	42.8	0	0	0	113.2	D411 V442 I446 C507 R509	D411-N444 PolarHBondContact OD1-OD1 2.78Å; V442-N444 PolarHBondContact O-N 3.47Å; V442-N444 VanDerWaalsContact O-N 3.14Å; N444-I446 PolarHBondContact O-N 2.89Å; N444-I446 WeakPolarHBondContact OD1-CG2 3.5Å; N444-I446 PolarHBondContact OD1-N 3.1Å; N444-I446 VanDerWaalsContact OD1-N 3.17Å; N444-I446 PolarHBondContact OD1-O 3.35Å; N444-C507 WeakPolarHBondContact CA-SG 3.14Å; N444-R509 HydrophobicContact CB-CB 4.12Å
445	Q	95.2	Very high	95.1	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.009	17%	0.168	C	C	.	.	S	Bend	trans	63.7	21.7	175.7	-51.2	171.2	52.2	0	0	113.7	D148 M153 N443 P452 C507	D148-Q445 PolarHBondContact OD1-NE2 3.44Å; D148-Q445 PolarHBondContact OD1-OE1 3.32Å; M153-Q445 HydrophobicContact SD-CB 3.77Å; M153-Q445 HydrophobicContact SD-CG 3.8Å; M153-Q445 PolarHBondContact SD-OE1 2.78Å; N443-Q445 PolarHBondContact O-N 3.46Å; N443-Q445 PolarHBondContact OD1-N 2.87Å; Q445-P452 HydrophobicContact CB-CG 4.32Å; Q445-P452 WeakPolarHBondContact O-CD 3.33Å; Q445-P452 VanDerWaalsContact O-CG 3.3Å; Q445-P452 WeakPolarHBondContact O-CG 3.32Å; Q445-C507 PolarHBondContact NE2-O 3.38Å
446	I	94.8	Very high	95	Very high	3 Å²	3	32.3 Å²	32.3	2%	0.015	16%	0.164	C	C	.	.			trans	-159.2	120.9	179.6	-168.4	176.9	0	0	0	114.1	D411 N444 F448 R509 Q523 M526 Y527	D411-I446 PolarHBondContact OD2-N 2.97Å; N444-I446 PolarHBondContact O-N 2.89Å; N444-I446 WeakPolarHBondContact OD1-CG2 3.5Å; N444-I446 PolarHBondContact OD1-N 3.1Å; N444-I446 VanDerWaalsContact OD1-N 3.17Å; N444-I446 PolarHBondContact OD1-O 3.35Å; I446-F448 VanDerWaalsContact CD1-O 3.31Å; I446-F448 WeakPolarHBondContact CD1-O 3.27Å; I446-F448 WeakPolarHBondContact CG1-O 3.13Å; I446-F448 PolarHBondContact O-N 2.88Å; I446-R509 HydrophobicContact CG2-CB 4.5Å; I446-Q523 HydrophobicContact CD1-CB 4.4Å; I446-Q523 HydrophobicContact CD1-CG 3.7Å; I446-M526 HydrophobicContact CB-CE 4.39Å; I446-M526 HydrophobicContact CB-SD 4.41Å; I446-M526 HydrophobicContact CD1-CE 4.37Å; I446-M526 HydrophobicContact CD1-SD 4.31Å; I446-Y527 HydrophobicContact CD1-CE2 4.39Å
447	G	94.4	Very high	95	Very high	18 Å²	18	38.6 Å²	38.6	19%	0.186	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-90.2	94.2	171.3	0	0	0	0	0	111.9	T449 T450	G447-T449 PolarHBondContact O-N 2.91Å; G447-T450 PolarHBondContact N-O 2.83Å; G447-T450 WeakPolarHBondContact O-CB 3.42Å; G447-T450 PolarHBondContact O-N 2.77Å; G447-T450 PolarHBondContact O-OG1 3.4Å
448	F	95.1	Very high	94.7	Very high	98 Å²	98	40.3 Å²	40.3	43%	0.43	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	-92	-171.2	-164.2	-79.1	0	0	0	111.2	I446 R509 H513	I446-F448 VanDerWaalsContact CD1-O 3.31Å; I446-F448 WeakPolarHBondContact CD1-O 3.27Å; I446-F448 WeakPolarHBondContact CG1-O 3.13Å; I446-F448 PolarHBondContact O-N 2.88Å; F448-R509 PolarHBondContact O-NH2 2.93Å; F448-H513 HydrophobicContact CD2-CB 3.78Å; F448-H513 AromaticContact CD2-CD2 3.16Å; F448-H513 WeakPolarHBondContact CD2-CD2 3.14Å; F448-H513 AromaticContact CD2-CE1 3.95Å; F448-H513 AromaticContact CD2-CG 3.27Å; F448-H513 AromaticContact CD2-ND1 3.78Å; F448-H513 AromaticContact CD2-NE2 3.62Å; F448-H513 HydrophobicContact CE2-CB 3.97Å; F448-H513 AromaticContact CE2-CD2 3.31Å; F448-H513 WeakPolarHBondContact CE2-CD2 3.3Å; F448-H513 AromaticContact CE2-CG 3.7Å; F448-H513 HydrophobicContact CG-CB 4.14Å; F448-H513 AromaticContact CG-CG 3.94Å; F448-H513 HydrophobicContact CZ-CB 4.47Å
449	T	95.9	Very high	94.3	Very high	53 Å²	53	42 Å²	42	33%	0.325	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.8	5.8	176.2	56.9	0	0	0	0	112.1	G447 T522 Q523	G447-T449 PolarHBondContact O-N 2.91Å; T449-T522 HydrophobicContact CG2-CG2 4.28Å; T449-Q523 PolarHBondContact O-NE2 3.03Å
450	T	95.1	Very high	94.1	Very high	59 Å²	59	42.3 Å²	42.3	36%	0.362	23%	0.232	S	C	.	.	B	Isolated β-bridge	trans	-97.5	123.9	-174.6	-55.2	0	0	0	0	109.9	G447 M454 A455	G447-T450 PolarHBondContact N-O 2.83Å; G447-T450 WeakPolarHBondContact O-CB 3.42Å; G447-T450 PolarHBondContact O-N 2.77Å; G447-T450 PolarHBondContact O-OG1 3.4Å; T450-M454 HydrophobicContact CG2-CB 3.76Å; T450-A455 HydrophobicContact CG2-CB 4.22Å
451	D	92.1	Very high	94	Very high	53 Å²	53	42.3 Å²	42.3	28%	0.283	23%	0.232	S	C	.	.			trans	-71.9	152	176.2	-63.5	-39.4	0	0	0	111.4	R453 M454 A455 Q523	D451-R453 VanDerWaalsContact C-N 3.26Å; D451-R453 HydrophobicContact CB-CG 4.19Å; D451-R453 PolarHBondContact O-N 3.19Å; D451-R453 VanDerWaalsContact O-N 3.14Å; D451-M454 WeakPolarHBondContact O-CA 3.43Å; D451-M454 PolarHBondContact O-N 2.96Å; D451-A455 PolarHBondContact O-N 3.25Å; D451-Q523 WeakPolarHBondContact OD1-CG 3.29Å; D451-Q523 PolarHBondContact OD1-NE2 2.98Å
452	P	91.6	Very high	94	Very high	6 Å²	6	42.3 Å²	42.3	4%	0.039	23%	0.232	C	C	.	.	H	α-helix	trans	-46.3	-44.1	176.9	-38.9	43.1	0	0	0	114.8	M153 Q445 M454 A455 R456	M153-P452 HydrophobicContact CE-CB 3.71Å; M153-P452 HydrophobicContact CE-CG 3.85Å; M153-P452 HydrophobicContact SD-CB 4.35Å; M153-P452 HydrophobicContact SD-CG 3.81Å; Q445-P452 HydrophobicContact CB-CG 4.32Å; Q445-P452 WeakPolarHBondContact O-CD 3.33Å; Q445-P452 VanDerWaalsContact O-CG 3.3Å; Q445-P452 WeakPolarHBondContact O-CG 3.32Å; P452-M454 PolarHBondContact O-N 3.38Å; P452-M454 VanDerWaalsContact O-N 3.11Å; P452-A455 PolarHBondContact O-N 3.09Å; P452-R456 PolarHBondContact O-N 2.91Å
453	R	88.5	Confident	93.9	Very high	159 Å²	159	43.3 Å²	43.3	60%	0.6	24%	0.238	S	C	*	.	H	α-helix	trans	-62.5	-16.5	178.5	70.8	-178.6	67.2	-165.6	-3.5	114.7	L157 D451	L157-R453 HydrophobicContact CD2-CB 4.37Å; D451-R453 VanDerWaalsContact C-N 3.26Å; D451-R453 HydrophobicContact CB-CG 4.19Å; D451-R453 PolarHBondContact O-N 3.19Å; D451-R453 VanDerWaalsContact O-N 3.14Å
454	M	91.3	Very high	93.9	Very high	147 Å²	147	44.7 Å²	44.7	72%	0.724	25%	0.246	S	C	*	.	H	α-helix	trans	-107.6	-9.7	176.4	-59.4	-59.3	-179.6	0	0	112.4	T450 D451 P452	T450-M454 HydrophobicContact CG2-CB 3.76Å; D451-M454 WeakPolarHBondContact O-CA 3.43Å; D451-M454 PolarHBondContact O-N 2.96Å; P452-M454 PolarHBondContact O-N 3.38Å; P452-M454 VanDerWaalsContact O-N 3.11Å
455	A	92.5	Very high	94	Very high	30 Å²	30	44.1 Å²	44.1	25%	0.248	24%	0.243	C	C	.	.	H	α-helix	trans	-95.7	-23.6	-176.5	0	0	0	0	0	113.2	A412 T450 D451 P452	A412-A455 HydrophobicContact CB-CB 4.45Å; T450-A455 HydrophobicContact CG2-CB 4.22Å; D451-A455 PolarHBondContact O-N 3.25Å; P452-A455 PolarHBondContact O-N 3.09Å
456	R	93.7	Very high	94	Very high	25 Å²	25	48.3 Å²	48.3	9%	0.094	26%	0.259	C	S	.	.			trans	-149.7	165.4	-176.2	63.9	177.1	-179.1	-88.8	1.7	112.6	A415 P452 S458 P459 Y460	A415-R456 HydrophobicContact CB-CB 4Å; P452-R456 PolarHBondContact O-N 2.91Å; R456-S458 VanDerWaalsContact CD-O 3.28Å; R456-S458 WeakPolarHBondContact CD-O 3.41Å; R456-S458 WeakPolarHBondContact CG-O 2.95Å; R456-S458 PolarHBondContact NE-O 3.08Å; R456-P459 PolarHBondContact NE-O 3.43Å; R456-P459 VanDerWaalsContact NE-O 3.11Å; R456-P459 PolarHBondContact NH2-O 3.06Å; R456-Y460 WeakPolarHBondContact CD-O 3.21Å; R456-Y460 VanDerWaalsContact NE-C 3.32Å
457	S	93.1	Very high	94	Very high	132 Å²	132	51.3 Å²	51.3	92%	0.923	28%	0.277	S	S	*	.	S	Bend	trans	-109.5	18.2	-179.3	-58.3	0	0	0	0	113.7
458	S	91.8	Very high	94	Very high	36 Å²	36	51.6 Å²	51.6	25%	0.252	28%	0.275	S	S	.	.	S	Bend	trans	-139.3	160.6	-178.2	71.6	0	0	0	0	110.8	L157 R456 Y460 D463	L157-S458 WeakPolarHBondContact CD1-O 3.46Å; R456-S458 VanDerWaalsContact CD-O 3.28Å; R456-S458 WeakPolarHBondContact CD-O 3.41Å; R456-S458 WeakPolarHBondContact CG-O 2.95Å; R456-S458 PolarHBondContact NE-O 3.08Å; S458-Y460 PolarHBondContact O-N 2.93Å; S458-Y460 PolarHBondContact OG-O 2.8Å; S458-Y460 VanDerWaalsContact OG-O 3.08Å; S458-D463 WeakPolarHBondContact CB-OD2 3.16Å; S458-D463 WeakPolarHBondContact OG-CB 3.48Å; S458-D463 PolarHBondContact OG-OD2 3.26Å
459	P	89.2	Confident	94	Very high	34 Å²	34	49.3 Å²	49.3	22%	0.221	27%	0.268	C	S	.	.	S	Bend	trans	-54.5	-47.9	-176.4	-28.4	37.1	0	0	0	113	A155 D156 R456	A155-P459 WeakPolarHBondContact O-CB 3.09Å; D156-P459 WeakPolarHBondContact OD1-CG 3.46Å; R456-P459 PolarHBondContact NE-O 3.43Å; R456-P459 VanDerWaalsContact NE-O 3.11Å; R456-P459 PolarHBondContact NH2-O 3.06Å
460	Y	94.8	Very high	94.1	Very high	11 Å²	11	46.9 Å²	46.9	4%	0.043	25%	0.253	C	S	.	.	S	Bend	trans	-111.4	147.4	-174.9	-56.3	-73.7	0	0	0	111.9	H142 L147 A155 E221 R456 S458 T462 D463 H474	H142-Y460 AromaticContact CE1-CE2 3.73Å; H142-Y460 AromaticContact ND1-CE2 3.41Å; H142-Y460 WeakPolarHBondContact ND1-CE2 3.44Å; H142-Y460 AromaticContact ND1-CZ 3.52Å; H142-Y460 PolarHBondContact ND1-OH 3.12Å; H142-Y460 PolarHBondContact O-OH 3.16Å; H142-Y460 VanDerWaalsContact O-OH 3.07Å; L147-Y460 HydrophobicContact CD1-CE1 4.47Å; A155-Y460 HydrophobicContact CB-CE1 4.27Å; A155-Y460 WeakPolarHBondContact CB-OH 3.42Å; E221-Y460 WeakPolarHBondContact OE1-CD2 3.47Å; R456-Y460 WeakPolarHBondContact CD-O 3.21Å; R456-Y460 VanDerWaalsContact NE-C 3.32Å; S458-Y460 PolarHBondContact O-N 2.93Å; S458-Y460 PolarHBondContact OG-O 2.8Å; S458-Y460 VanDerWaalsContact OG-O 3.08Å; Y460-T462 WeakPolarHBondContact CB-OG1 3.36Å; Y460-T462 PolarHBondContact O-N 3.06Å; Y460-T462 VanDerWaalsContact O-N 3.15Å; Y460-D463 PolarHBondContact N-OD2 3.46Å; Y460-D463 VanDerWaalsContact N-OD2 3.09Å; Y460-D463 PolarHBondContact O-N 3.25Å; Y460-D463 VanDerWaalsContact O-OD2 3.08Å; Y460-H474 AromaticContact CD1-CE1 3.38Å; Y460-H474 WeakPolarHBondContact CD1-CE1 3.39Å; Y460-H474 AromaticContact CD1-ND1 3.67Å; Y460-H474 AromaticContact CD2-CE1 3.86Å; Y460-H474 AromaticContact CD2-NE2 3.97Å; Y460-H474 AromaticContact CE1-CE1 3.86Å; Y460-H474 AromaticContact CG-CE1 3.37Å; Y460-H474 AromaticContact CG-NE2 3.94Å
461	P	95.9	Very high	94.2	Very high	1 Å²	1	44 Å²	44	1%	0.006	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-62.5	-20.2	172.1	28.5	-33.5	0	0	0	111.8	D411 F414 A415	D411-P461 HydrophobicContact CB-CB 3.9Å; D411-P461 HydrophobicContact CB-CG 3.91Å; D411-P461 WeakPolarHBondContact O-CB 3.19Å; F414-P461 WeakPolarHBondContact CD1-O 3.34Å; A415-P461 HydrophobicContact CB-CB 4.29Å
462	T	97.8	Very high	94.6	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-84.6	-3.6	-173.9	48.1	0	0	0	0	115.7	F414 V441 Y460 V464 A465 I472 H474 V502 D504	F414-T462 HydrophobicContact CD1-CG2 4.35Å; F414-T462 HydrophobicContact CE1-CG2 4.11Å; V441-T462 HydrophobicContact CB-CG2 4.39Å; V441-T462 HydrophobicContact CG2-CG2 3.9Å; Y460-T462 WeakPolarHBondContact CB-OG1 3.36Å; Y460-T462 PolarHBondContact O-N 3.06Å; Y460-T462 VanDerWaalsContact O-N 3.15Å; T462-V464 PolarHBondContact O-N 3.24Å; T462-A465 WeakPolarHBondContact O-CB 3.41Å; T462-A465 PolarHBondContact O-N 3.08Å; T462-I472 HydrophobicContact CG2-CG2 4.28Å; T462-I472 WeakPolarHBondContact OG1-CG2 3.37Å; T462-H474 PolarHBondContact OG1-CE1 2.98Å; T462-V502 HydrophobicContact CG2-CG1 3.51Å; T462-D504 HydrophobicContact CG2-CB 3.89Å
463	D	96.8	Very high	94.9	Very high	22 Å²	22	41.2 Å²	41.2	12%	0.118	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-62.5	-20	-173.5	-71	-37	0	0	0	114.1	S458 Y460 A465 R466	S458-D463 WeakPolarHBondContact CB-OD2 3.16Å; S458-D463 WeakPolarHBondContact OG-CB 3.48Å; S458-D463 PolarHBondContact OG-OD2 3.26Å; Y460-D463 PolarHBondContact N-OD2 3.46Å; Y460-D463 VanDerWaalsContact N-OD2 3.09Å; Y460-D463 PolarHBondContact O-N 3.25Å; Y460-D463 VanDerWaalsContact O-OD2 3.08Å; D463-A465 PolarHBondContact O-N 3.42Å; D463-R466 WeakPolarHBondContact O-CB 3.44Å; D463-R466 WeakPolarHBondContact O-CG 3.38Å; D463-R466 PolarHBondContact O-N 2.91Å; D463-R466 VanDerWaalsContact O-N 3.17Å; D463-R466 IonicContact OD1-CZ 2.88Å; D463-R466 IonicContact OD1-NE 2.76Å; D463-R466 PolarHBondContact OD1-NE 3.17Å; D463-R466 IonicContact OD1-NH2 3.63Å; D463-R466 PolarHBondContact OD1-NH2 2.92Å
464	V	97.1	Very high	95.4	Very high	37 Å²	37	33.7 Å²	33.7	22%	0.224	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-57	-31.4	172.1	66.5	0	0	0	0	112.4	F414 V420 F424 T462 R466 V467	F414-V464 HydrophobicContact CD1-CG1 3.85Å; F414-V464 HydrophobicContact CE1-CG1 3.49Å; F414-V464 VanDerWaalsContact CE1-CG1 3.49Å; F414-V464 HydrophobicContact CZ-CG1 3.98Å; V420-V464 HydrophobicContact CG1-CG1 3.91Å; V420-V464 HydrophobicContact CG1-CG2 4.43Å; F424-V464 HydrophobicContact CD2-CG1 4.49Å; F424-V464 HydrophobicContact CE2-CG1 4.14Å; T462-V464 PolarHBondContact O-N 3.24Å; V464-R466 PolarHBondContact O-N 3.22Å; V464-V467 WeakPolarHBondContact O-CG1 3.45Å; V464-V467 PolarHBondContact O-N 3.17Å
465	A	97.4	Very high	95.7	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-69.9	-17.2	-178.4	0	0	0	0	0	113.6	F424 T462 D463 V467 V468 A470 I472 V502	F424-A465 HydrophobicContact CE1-CB 4.18Å; F424-A465 HydrophobicContact CE2-CB 4.14Å; F424-A465 HydrophobicContact CZ-CB 3.78Å; T462-A465 WeakPolarHBondContact O-CB 3.41Å; T462-A465 PolarHBondContact O-N 3.08Å; D463-A465 PolarHBondContact O-N 3.42Å; A465-V467 PolarHBondContact O-N 3.24Å; A465-V467 VanDerWaalsContact O-N 3.17Å; A465-V468 WeakPolarHBondContact O-CG2 3.44Å; A465-V468 PolarHBondContact O-N 3.32Å; A465-A470 HydrophobicContact CB-CB 4.27Å; A465-A470 PolarHBondContact O-N 3.08Å; A465-I472 HydrophobicContact CB-CD1 4.43Å; A465-I472 HydrophobicContact CB-CG1 4.48Å; A465-V502 HydrophobicContact CB-CG2 3.46Å; A465-V502 VanDerWaalsContact CB-CG2 3.46Å
466	R	95.6	Very high	96	Very high	90 Å²	90	25.8 Å²	25.8	34%	0.34	15%	0.148	S	C	.	.	G	3₁₀ helix	trans	-62.8	-21.3	176.3	-60.2	-176.6	-166.8	-145.6	3.2	112.3	E221 F224 D463 V464 V468 N469 I472	E221-R466 IonicContact OE1-NH2 3.46Å; E221-R466 PolarHBondContact OE1-NH2 2.75Å; E221-R466 IonicContact OE2-CZ 2.81Å; E221-R466 IonicContact OE2-NH1 2.77Å; E221-R466 IonicContact OE2-NH2 2.76Å; E221-R466 PolarHBondContact OE2-NH2 2.97Å; F224-R466 HydrophobicContact CD1-CG 4.35Å; F224-R466 HydrophobicContact CE1-CG 4.06Å; F224-R466 HydrophobicContact CE2-CG 4.38Å; F224-R466 HydrophobicContact CZ-CG 4.09Å; D463-R466 WeakPolarHBondContact O-CB 3.44Å; D463-R466 WeakPolarHBondContact O-CG 3.38Å; D463-R466 PolarHBondContact O-N 2.91Å; D463-R466 VanDerWaalsContact O-N 3.17Å; D463-R466 IonicContact OD1-CZ 2.88Å; D463-R466 IonicContact OD1-NE 2.76Å; D463-R466 PolarHBondContact OD1-NE 3.17Å; D463-R466 IonicContact OD1-NH2 3.63Å; D463-R466 PolarHBondContact OD1-NH2 2.92Å; V464-R466 PolarHBondContact O-N 3.22Å; R466-V468 PolarHBondContact O-N 2.71Å; R466-N469 PolarHBondContact O-N 3.18Å; R466-N469 VanDerWaalsContact O-N 3.1Å; R466-I472 HydrophobicContact CG-CD1 4.15Å
467	V	94.9	Very high	96.1	Very high	67 Å²	67	24.6 Å²	24.6	41%	0.406	14%	0.143	S	C	.	.	G	3₁₀ helix	trans	-57.2	-31.6	177.3	70.3	0	0	0	0	112.8	Y421 F424 V464 A465	Y421-V467 HydrophobicContact CD2-CB 4.37Å; Y421-V467 HydrophobicContact CD2-CG1 4.18Å; Y421-V467 HydrophobicContact CD2-CG2 4.14Å; Y421-V467 HydrophobicContact CE2-CB 4.14Å; Y421-V467 HydrophobicContact CE2-CG1 4.3Å; Y421-V467 HydrophobicContact CE2-CG2 3.45Å; Y421-V467 VanDerWaalsContact CE2-CG2 3.45Å; F424-V467 HydrophobicContact CB-CG1 4.02Å; V464-V467 WeakPolarHBondContact O-CG1 3.45Å; V464-V467 PolarHBondContact O-N 3.17Å; A465-V467 PolarHBondContact O-N 3.24Å; A465-V467 VanDerWaalsContact O-N 3.17Å
468	V	94.6	Very high	96.3	Very high	24 Å²	24	19.2 Å²	19.2	15%	0.145	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-108.3	11.5	178.6	-67.6	0	0	0	0	113.5	F424 A465 R466 A470	F424-V468 HydrophobicContact CB-CG1 4.22Å; F424-V468 HydrophobicContact CB-CG2 4.35Å; F424-V468 HydrophobicContact CD1-CG2 3.65Å; F424-V468 HydrophobicContact CE1-CG2 4.34Å; F424-V468 HydrophobicContact CG-CG2 4.29Å; F424-V468 VanDerWaalsContact O-CG1 3.26Å; F424-V468 WeakPolarHBondContact O-CG1 3.43Å; A465-V468 WeakPolarHBondContact O-CG2 3.44Å; A465-V468 PolarHBondContact O-N 3.32Å; R466-V468 PolarHBondContact O-N 2.71Å; V468-A470 HydrophobicContact CG2-CB 3.99Å; V468-A470 PolarHBondContact O-N 3.39Å
469	N	95.3	Very high	96.6	Very high	50 Å²	50	18.8 Å²	18.8	27%	0.267	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	33.9	-173.4	-54	-63.9	0	0	0	113.4	F224 I225 R466	F224-N469 PolarHBondContact O-OD1 2.8Å; I225-N469 HydrophobicContact CG1-CB 4.34Å; I225-N469 WeakPolarHBondContact CG1-O 3.41Å; R466-N469 PolarHBondContact O-N 3.18Å; R466-N469 VanDerWaalsContact O-N 3.1Å
470	A	97.4	Very high	97	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.008	9%	0.09	C	C	.	.			trans	-71.7	129.3	172.6	0	0	0	0	0	109.6	F224 A465 V468 D500	F224-A470 WeakPolarHBondContact CE2-O 3.22Å; F224-A470 VanDerWaalsContact CZ-O 3.23Å; F224-A470 WeakPolarHBondContact CZ-O 3.27Å; A465-A470 HydrophobicContact CB-CB 4.27Å; A465-A470 PolarHBondContact O-N 3.08Å; V468-A470 HydrophobicContact CG2-CB 3.99Å; V468-A470 PolarHBondContact O-N 3.39Å; A470-D500 HydrophobicContact CB-CB 4.01Å; A470-D500 WeakPolarHBondContact CB-O 3.2Å
471	P	98.2	Very high	97.1	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.09	C	C	.	.			trans	-64	147	173.6	25.4	-32.2	0	0	0	110.7	I225 I234 F473 W493 D500 V501 V502	I225-P471 HydrophobicContact CD1-CB 3.92Å; I225-P471 HydrophobicContact CD1-CG 4.35Å; I234-P471 HydrophobicContact CD1-CB 3.75Å; I234-P471 HydrophobicContact CD1-CG 4.27Å; P471-F473 HydrophobicContact CB-CE1 4.02Å; P471-F473 HydrophobicContact CB-CZ 4Å; P471-F473 HydrophobicContact CG-CZ 4.27Å; P471-W493 VanDerWaalsContact CD-CE2 3.47Å; P471-W493 HydrophobicContact CG-CD2 3.64Å; P471-W493 HydrophobicContact CG-CE3 4.03Å; P471-W493 HydrophobicContact CG-CG 4.19Å; P471-W493 HydrophobicContact CG-CH2 3.92Å; P471-W493 HydrophobicContact CG-CZ2 3.54Å; P471-W493 HydrophobicContact CG-CZ3 4.17Å; P471-D500 WeakPolarHBondContact CD-O 3.34Å; P471-V501 HydrophobicContact CG-CB 4.24Å; P471-V501 HydrophobicContact CG-CG2 4.02Å; P471-V502 PolarHBondContact O-N 3.13Å
472	I	98.6	Very high	97.2	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	125.9	-178.2	-52.6	168.6	0	0	0	108.3	E221 F224 T462 A465 R466 H474 V502	E221-I472 HydrophobicContact CB-CB 4.2Å; E221-I472 PolarHBondContact N-O 2.9Å; E221-I472 PolarHBondContact O-N 2.75Å; F224-I472 HydrophobicContact CE1-CD1 4.48Å; F224-I472 HydrophobicContact CZ-CD1 4.3Å; F224-I472 HydrophobicContact CZ-CG1 4.34Å; T462-I472 HydrophobicContact CG2-CG2 4.28Å; T462-I472 WeakPolarHBondContact OG1-CG2 3.37Å; A465-I472 HydrophobicContact CB-CD1 4.43Å; A465-I472 HydrophobicContact CB-CG1 4.48Å; R466-I472 HydrophobicContact CG-CD1 4.15Å; I472-H474 VanDerWaalsContact CG2-CE1 3.47Å; I472-H474 WeakPolarHBondContact CG2-CE1 3.49Å; I472-H474 WeakPolarHBondContact CG2-NE2 3.16Å; I472-V502 WeakPolarHBondContact CA-O 3.49Å; I472-V502 HydrophobicContact CG1-CB 4.31Å; I472-V502 HydrophobicContact CG2-CB 4.37Å
473	F	98.6	Very high	97.2	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	108.5	177.2	-52	-41.6	0	0	0	109.3	V220 I234 F238 P471 V486 V489 A490 V501 V502 V503 D504	V220-F473 HydrophobicContact CG1-CD1 3.83Å; V220-F473 HydrophobicContact CG1-CE1 3.81Å; I234-F473 HydrophobicContact CG2-CE1 4.41Å; F238-F473 AromaticContact CE2-CD1 3.96Å; F238-F473 HydrophobicContact CE2-CD1 3.96Å; F238-F473 AromaticContact CE2-CE1 3.55Å; F238-F473 HydrophobicContact CE2-CE1 3.55Å; F238-F473 AromaticContact CE2-CZ 3.89Å; F238-F473 HydrophobicContact CE2-CZ 3.89Å; F238-F473 AromaticContact CZ-CD1 3.86Å; F238-F473 HydrophobicContact CZ-CD1 3.86Å; F238-F473 HydrophobicContact CZ-CD2 4.46Å; F238-F473 AromaticContact CZ-CE1 3.89Å; F238-F473 HydrophobicContact CZ-CE1 3.89Å; F238-F473 HydrophobicContact CZ-CE2 4.47Å; F238-F473 HydrophobicContact CZ-CG 4.16Å; F238-F473 HydrophobicContact CZ-CZ 4.2Å; P471-F473 HydrophobicContact CB-CE1 4.02Å; P471-F473 HydrophobicContact CB-CZ 4Å; P471-F473 HydrophobicContact CG-CZ 4.27Å; F473-V486 HydrophobicContact CB-CG1 3.35Å; F473-V486 HydrophobicContact CD2-CG1 3.96Å; F473-V486 HydrophobicContact CG-CG1 4.02Å; F473-V489 HydrophobicContact CE2-CG1 4.08Å; F473-V489 HydrophobicContact CZ-CG1 4.18Å; F473-A490 HydrophobicContact CD2-CB 4.36Å; F473-A490 HydrophobicContact CE2-CB 4.38Å; F473-V501 HydrophobicContact CD2-CG2 3.87Å; F473-V501 HydrophobicContact CE2-CG2 3.54Å; F473-V501 HydrophobicContact CZ-CG2 4.32Å; F473-V502 PolarHBondContact N-O 2.98Å; F473-V503 CarbonylContact O-C 3.51Å; F473-V503 WeakPolarHBondContact O-CA 3.49Å; F473-D504 PolarHBondContact O-N 2.95Å
474	H	98.4	Very high	97.2	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	135.3	173.1	-48.1	-87.6	0	0	0	109.4	L147 I218 G219 E221 Y460 T462 I472 D504	L147-H474 HydrophobicContact CD1-CB 3.55Å; L147-H474 HydrophobicContact CD2-CB 3.71Å; L147-H474 WeakPolarHBondContact CD2-O 3.3Å; L147-H474 HydrophobicContact CG-CB 4.24Å; I218-H474 WeakPolarHBondContact CA-O 3.45Å; G219-H474 PolarHBondContact N-O 3.04Å; G219-H474 PolarHBondContact O-N 3.29Å; E221-H474 WeakPolarHBondContact CG-NE2 3.4Å; E221-H474 IonicContact OE1-CE1 2.63Å; E221-H474 IonicContact OE1-NE2 2.63Å; E221-H474 PolarHBondContact OE1-NE2 3.42Å; E221-H474 VanDerWaalsContact OE1-NE2 3.07Å; Y460-H474 AromaticContact CD1-CE1 3.38Å; Y460-H474 WeakPolarHBondContact CD1-CE1 3.39Å; Y460-H474 AromaticContact CD1-ND1 3.67Å; Y460-H474 AromaticContact CD2-CE1 3.86Å; Y460-H474 AromaticContact CD2-NE2 3.97Å; Y460-H474 AromaticContact CE1-CE1 3.86Å; Y460-H474 AromaticContact CG-CE1 3.37Å; Y460-H474 AromaticContact CG-NE2 3.94Å; T462-H474 PolarHBondContact OG1-CE1 2.98Å; I472-H474 VanDerWaalsContact CG2-CE1 3.47Å; I472-H474 WeakPolarHBondContact CG2-CE1 3.49Å; I472-H474 WeakPolarHBondContact CG2-NE2 3.16Å; H474-D504 HydrophobicContact CB-CB 4.38Å; H474-D504 IonicContact CE1-OD2 3.22Å; H474-D504 IonicContact CG-OD2 2.95Å; H474-D504 WeakPolarHBondContact ND1-CB 3.32Å; H474-D504 IonicContact ND1-OD2 2.8Å; H474-D504 PolarHBondContact ND1-OD2 2.99Å
475	V	98.3	Very high	97.3	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	137	-178.7	63	0	0	0	0	111.6	H217 I218 A477 A482 V483 V486 V503 D504 L505 V506	H217-V475 WeakPolarHBondContact O-CA 3.37Å; I218-V475 HydrophobicContact CG1-CG2 4.24Å; V475-A477 PolarHBondContact O-N 3.3Å; V475-A482 HydrophobicContact CG2-CB 3.71Å; V475-V483 HydrophobicContact CG1-CG2 4.01Å; V475-V483 HydrophobicContact CG2-CB 4.46Å; V475-V483 HydrophobicContact CG2-CG2 3.82Å; V475-V486 HydrophobicContact CB-CG2 4.21Å; V475-V486 HydrophobicContact CG2-CG2 4.28Å; V475-V503 HydrophobicContact CG1-CG1 4.16Å; V475-D504 PolarHBondContact N-O 3.11Å; V475-L505 HydrophobicContact CG1-CD2 3.51Å; V475-V506 PolarHBondContact O-N 2.83Å
476	N	98.1	Very high	97.3	Very high	11 Å²	11	16.1 Å²	16.1	6%	0.059	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	114.5	174.2	-168.3	-37	0	0	0	109.7	Q146 L147 H217 D478 D479	Q146-N476 PolarHBondContact O-ND2 3.32Å; L147-N476 WeakPolarHBondContact O-CA 3.46Å; L147-N476 WeakPolarHBondContact O-CB 3.37Å; L147-N476 PolarHBondContact O-ND2 2.72Å; H217-N476 HydrophobicContact CB-CB 3.96Å; H217-N476 PolarHBondContact O-N 3.03Å; N476-D478 PolarHBondContact O-N 3.23Å; N476-D478 VanDerWaalsContact O-N 3.15Å; N476-D478 WeakPolarHBondContact OD1-CB 3.23Å; N476-D478 PolarHBondContact OD1-N 2.84Å; N476-D479 PolarHBondContact O-N 3.27Å; N476-D479 VanDerWaalsContact O-N 3.07Å
477	A	97.4	Very high	97.4	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-14.8	-176.6	0	0	0	0	0	113.6	S285 V475 D479 V506 C507	S285-A477 VanDerWaalsContact CB-O 3.31Å; S285-A477 WeakPolarHBondContact CB-O 3.37Å; S285-A477 PolarHBondContact OG-O 3.08Å; V475-A477 PolarHBondContact O-N 3.3Å; A477-D479 VanDerWaalsContact C-N 3.26Å; A477-D479 PolarHBondContact O-N 3.42Å; A477-V506 VanDerWaalsContact CB-O 3.27Å; A477-V506 WeakPolarHBondContact CB-O 3.39Å; A477-V506 PolarHBondContact N-O 2.73Å; A477-C507 HydrophobicContact CB-CB 3.5Å; A477-C507 VanDerWaalsContact CB-CB 3.5Å
478	D	96.5	Very high	97.5	Very high	19 Å²	19	11.9 Å²	11.9	10%	0.102	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-3.4	174.2	-83.5	23.2	0	0	0	113.4	P149 N476 P480 V536 K539	P149-D478 HydrophobicContact CB-CB 4.02Å; N476-D478 PolarHBondContact O-N 3.23Å; N476-D478 VanDerWaalsContact O-N 3.15Å; N476-D478 WeakPolarHBondContact OD1-CB 3.23Å; N476-D478 PolarHBondContact OD1-N 2.84Å; D478-P480 WeakPolarHBondContact O-CD 3.4Å; D478-V536 HydrophobicContact CB-CG2 4.48Å; D478-V536 WeakPolarHBondContact OD1-CG2 3.21Å; D478-K539 IonicContact OD2-NZ 3.96Å; D478-K539 PolarHBondContact OD2-NZ 3.43Å
479	D	97.5	Very high	97.6	Very high	27 Å²	27	10.8 Å²	10.8	14%	0.144	5%	0.054	C	C	.	.			trans	-110.4	91.9	169.5	-171.4	-19.3	0	0	0	111.2	H217 N476 A477 E481 A482 V483	H217-D479 HydrophobicContact CB-CB 4.2Å; H217-D479 IonicContact CE1-OD2 3.76Å; H217-D479 IonicContact CG-OD2 3.69Å; H217-D479 WeakPolarHBondContact ND1-CB 3.2Å; H217-D479 IonicContact ND1-OD2 3.33Å; H217-D479 PolarHBondContact ND1-OD2 2.98Å; N476-D479 PolarHBondContact O-N 3.27Å; N476-D479 VanDerWaalsContact O-N 3.07Å; A477-D479 VanDerWaalsContact C-N 3.26Å; A477-D479 PolarHBondContact O-N 3.42Å; D479-E481 PolarHBondContact O-N 3.46Å; D479-E481 PolarHBondContact OD1-N 3.28Å; D479-E481 VanDerWaalsContact OD1-N 3.1Å; D479-A482 HydrophobicContact CB-CB 3.88Å; D479-A482 PolarHBondContact O-N 3.06Å; D479-A482 PolarHBondContact OD1-N 2.99Å; D479-A482 VanDerWaalsContact OD1-N 3.13Å; D479-V483 WeakPolarHBondContact O-CG2 3.37Å; D479-V483 PolarHBondContact O-N 3.1Å
480	P	97.4	Very high	97.7	Very high	3 Å²	3	8.4 Å²	8.4	2%	0.019	4%	0.041	C	C	.	.	H	α-helix	trans	-62.1	-26.8	-178.3	-25.7	36.1	0	0	0	114.4	L254 M258 D478 T484 V536 Y540	L254-P480 HydrophobicContact CD1-CB 4.02Å; L254-P480 HydrophobicContact CD2-CB 3.92Å; L254-P480 WeakPolarHBondContact CD2-O 3.28Å; L254-P480 HydrophobicContact CG-CB 4.1Å; M258-P480 HydrophobicContact CE-CG 4.04Å; M258-P480 HydrophobicContact CG-CB 4.33Å; M258-P480 HydrophobicContact CG-CG 4.36Å; M258-P480 HydrophobicContact SD-CB 4.27Å; M258-P480 HydrophobicContact SD-CG 4.17Å; D478-P480 WeakPolarHBondContact O-CD 3.4Å; P480-T484 WeakPolarHBondContact O-CB 3.26Å; P480-T484 PolarHBondContact O-N 3.33Å; P480-T484 PolarHBondContact O-OG1 2.86Å; P480-V536 HydrophobicContact CG-CG1 3.81Å; P480-Y540 HydrophobicContact CB-CD2 4.44Å; P480-Y540 HydrophobicContact CB-CG 4.5Å; P480-Y540 HydrophobicContact CG-CD2 4.18Å; P480-Y540 HydrophobicContact CG-CG 4.03Å
481	E	97.4	Very high	97.6	Very high	12 Å²	12	8.4 Å²	8.4	6%	0.056	4%	0.041	C	C	.	.	H	α-helix	trans	-72.2	-45.4	177.6	-77.7	176	-160.7	0	0	110	M244 F246 K251 L254 D479 V483 T484 Y485 Y540 K543	M244-E481 HydrophobicContact CE-CB 4.41Å; F246-E481 HydrophobicContact CD2-CB 4Å; F246-E481 HydrophobicContact CD2-CG 3.91Å; F246-E481 HydrophobicContact CE2-CB 3.63Å; F246-E481 HydrophobicContact CE2-CG 4.02Å; F246-E481 HydrophobicContact CG-CG 4.3Å; F246-E481 HydrophobicContact CZ-CB 4.1Å; F246-E481 HydrophobicContact CZ-CG 4.47Å; F246-E481 WeakPolarHBondContact CZ-O 3.5Å; K251-E481 VanDerWaalsContact CE-OE1 3.29Å; K251-E481 WeakPolarHBondContact CE-OE1 3.28Å; K251-E481 IonicContact NZ-OE1 3.77Å; L254-E481 HydrophobicContact CD2-CG 4Å; D479-E481 PolarHBondContact O-N 3.46Å; D479-E481 PolarHBondContact OD1-N 3.28Å; D479-E481 VanDerWaalsContact OD1-N 3.1Å; E481-V483 PolarHBondContact O-N 3.24Å; E481-T484 PolarHBondContact O-N 3.03Å; E481-Y485 PolarHBondContact O-N 3.02Å; E481-Y540 HydrophobicContact CG-CE2 3.92Å; E481-K543 IonicContact OE1-NZ 2.73Å; E481-K543 PolarHBondContact OE1-NZ 3.1Å; E481-K543 IonicContact OE2-NZ 3.48Å; E481-K543 PolarHBondContact OE2-NZ 3.46Å
482	A	97.8	Very high	97.5	Very high	1 Å²	1	10.4 Å²	10.4	1%	0.008	5%	0.051	C	C	.	.	H	α-helix	trans	-58.8	-47.2	174	0	0	0	0	0	112.1	H217 I218 M244 V475 D479 T484 Y485 V486	H217-A482 HydrophobicContact CB-CB 4.24Å; I218-A482 HydrophobicContact CD1-CB 4.06Å; I218-A482 HydrophobicContact CG1-CB 3.89Å; M244-A482 VanDerWaalsContact CE-CA 3.43Å; M244-A482 HydrophobicContact CE-CB 4.03Å; V475-A482 HydrophobicContact CG2-CB 3.71Å; D479-A482 HydrophobicContact CB-CB 3.88Å; D479-A482 PolarHBondContact O-N 3.06Å; D479-A482 PolarHBondContact OD1-N 2.99Å; D479-A482 VanDerWaalsContact OD1-N 3.13Å; A482-T484 VanDerWaalsContact C-N 3.32Å; A482-T484 PolarHBondContact O-N 3.21Å; A482-Y485 PolarHBondContact O-N 3.04Å; A482-V486 WeakPolarHBondContact O-CG2 3.49Å; A482-V486 PolarHBondContact O-N 3.34Å
483	V	98.4	Very high	97.4	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-57.3	-46.8	176.2	171.7	0	0	0	0	111	A289 V475 D479 E481 Y485 V486 C487 L505	A289-V483 HydrophobicContact CB-CG1 3.65Å; V475-V483 HydrophobicContact CG1-CG2 4.01Å; V475-V483 HydrophobicContact CG2-CB 4.46Å; V475-V483 HydrophobicContact CG2-CG2 3.82Å; D479-V483 WeakPolarHBondContact O-CG2 3.37Å; D479-V483 PolarHBondContact O-N 3.1Å; E481-V483 PolarHBondContact O-N 3.24Å; V483-Y485 VanDerWaalsContact C-N 3.35Å; V483-Y485 PolarHBondContact O-N 3.08Å; V483-V486 PolarHBondContact O-N 3.06Å; V483-C487 WeakPolarHBondContact O-CB 3.38Å; V483-C487 PolarHBondContact O-N 3.49Å; V483-C487 PolarHBondContact O-SG 3.35Å; V483-C487 VanDerWaalsContact O-SG 3.35Å; V483-L505 HydrophobicContact CG1-CD2 3.93Å; V483-L505 HydrophobicContact CG2-CD2 4.22Å
484	T	97.3	Very high	97.3	Very high	19 Å²	19	10.5 Å²	10.5	12%	0.117	5%	0.051	C	C	.	.	H	α-helix	trans	-61.7	-43.5	179.2	-61.8	0	0	0	0	111.4	F246 L254 T292 P480 E481 A482 K488	F246-T484 HydrophobicContact CE1-CG2 3.77Å; F246-T484 HydrophobicContact CZ-CG2 4.24Å; L254-T484 WeakPolarHBondContact CD1-OG1 3.38Å; T292-T484 HydrophobicContact CG2-CG2 3.96Å; T292-T484 WeakPolarHBondContact CG2-O 3.36Å; P480-T484 WeakPolarHBondContact O-CB 3.26Å; P480-T484 PolarHBondContact O-N 3.33Å; P480-T484 PolarHBondContact O-OG1 2.86Å; E481-T484 PolarHBondContact O-N 3.03Å; A482-T484 VanDerWaalsContact C-N 3.32Å; A482-T484 PolarHBondContact O-N 3.21Å; T484-K488 WeakPolarHBondContact O-CB 3.31Å; T484-K488 PolarHBondContact O-N 3.4Å
485	Y	97.8	Very high	97	Very high	14 Å²	14	11.8 Å²	11.8	6%	0.055	6%	0.062	C	C	.	.	H	α-helix	trans	-64.2	-49.2	178.6	-177.6	-97.6	0	0	0	112.3	I218 K237 F238 V243 M244 E481 A482 V483 C487 K488 V489	I218-Y485 HydrophobicContact CD1-CD1 4.25Å; K237-Y485 PolarHBondContact O-OH 3.21Å; F238-Y485 HydrophobicContact CD1-CE1 4.05Å; F238-Y485 HydrophobicContact CE1-CD1 4.27Å; F238-Y485 AromaticContact CE1-CE1 3.88Å; F238-Y485 HydrophobicContact CE1-CE1 3.88Å; V243-Y485 HydrophobicContact CB-CE2 3.95Å; V243-Y485 WeakPolarHBondContact CB-OH 3.37Å; V243-Y485 HydrophobicContact CG2-CE1 4.5Å; V243-Y485 WeakPolarHBondContact O-CD2 3.28Å; V243-Y485 WeakPolarHBondContact O-CE2 3.27Å; M244-Y485 WeakPolarHBondContact SD-CB 3.32Å; M244-Y485 HydrophobicContact SD-CD1 3.57Å; M244-Y485 VanDerWaalsContact SD-CD1 3.57Å; M244-Y485 HydrophobicContact SD-CD2 3.99Å; M244-Y485 HydrophobicContact SD-CE1 4.41Å; M244-Y485 HydrophobicContact SD-CG 3.34Å; E481-Y485 PolarHBondContact O-N 3.02Å; A482-Y485 PolarHBondContact O-N 3.04Å; V483-Y485 VanDerWaalsContact C-N 3.35Å; V483-Y485 PolarHBondContact O-N 3.08Å; Y485-C487 VanDerWaalsContact C-N 3.33Å; Y485-C487 PolarHBondContact O-N 3Å; Y485-K488 WeakPolarHBondContact O-CB 3.47Å; Y485-K488 PolarHBondContact O-N 2.86Å; Y485-K488 VanDerWaalsContact O-N 3.16Å; Y485-V489 HydrophobicContact CD1-CG2 4.2Å; Y485-V489 HydrophobicContact CE1-CG2 3.63Å; Y485-V489 HydrophobicContact CE2-CG2 4.3Å; Y485-V489 WeakPolarHBondContact O-CG2 3.41Å; Y485-V489 PolarHBondContact O-N 3.11Å
486	V	98.1	Very high	96.8	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-59.1	-44.7	178.3	167.2	0	0	0	0	111.3	I218 F238 F473 V475 A482 V483 K488 V489 A490 V503	I218-V486 HydrophobicContact CD1-CG2 3.81Å; I218-V486 HydrophobicContact CG1-CG2 3.92Å; I218-V486 HydrophobicContact CG2-CG2 3.84Å; F238-V486 HydrophobicContact CE1-CG2 4.27Å; F473-V486 HydrophobicContact CB-CG1 3.35Å; F473-V486 HydrophobicContact CD2-CG1 3.96Å; F473-V486 HydrophobicContact CG-CG1 4.02Å; V475-V486 HydrophobicContact CB-CG2 4.21Å; V475-V486 HydrophobicContact CG2-CG2 4.28Å; A482-V486 WeakPolarHBondContact O-CG2 3.49Å; A482-V486 PolarHBondContact O-N 3.34Å; V483-V486 PolarHBondContact O-N 3.06Å; V486-K488 VanDerWaalsContact C-N 3.33Å; V486-K488 PolarHBondContact O-N 2.67Å; V486-V489 PolarHBondContact O-N 2.81Å; V486-A490 WeakPolarHBondContact O-CB 3.27Å; V486-A490 PolarHBondContact O-N 3.16Å; V486-V503 HydrophobicContact CG1-CG1 3.84Å; V486-V503 HydrophobicContact CG1-CG2 4.03Å
487	C	97.8	Very high	96.6	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-65	-34.6	177.6	-76.1	0	0	0	0	113.3	A289 T292 I293 V483 Y485 A491	A289-C487 VanDerWaalsContact CB-SG 3.51Å; T292-C487 HydrophobicContact CG2-CB 4.29Å; I293-C487 HydrophobicContact CD1-CB 4.42Å; I293-C487 HydrophobicContact CG1-CB 3.9Å; V483-C487 WeakPolarHBondContact O-CB 3.38Å; V483-C487 PolarHBondContact O-N 3.49Å; V483-C487 PolarHBondContact O-SG 3.35Å; V483-C487 VanDerWaalsContact O-SG 3.35Å; Y485-C487 VanDerWaalsContact C-N 3.33Å; Y485-C487 PolarHBondContact O-N 3Å; C487-A491 PolarHBondContact O-N 3.26Å; C487-A491 VanDerWaalsContact O-N 3.07Å
488	K	96.3	Very high	96.5	Very high	69 Å²	69	18.6 Å²	18.6	30%	0.3	10%	0.098	S	C	.	.	H	α-helix	trans	-62	-49.2	170.5	169.3	-173	171.8	-171.2	0	110.3	T292 K296 T484 Y485 V486 A490 A491 E492	T292-K488 HydrophobicContact CG2-CB 4.06Å; K296-K488 HydrophobicContact CD-CG 4.25Å; K296-K488 HydrophobicContact CG-CB 4.19Å; K296-K488 HydrophobicContact CG-CG 4.02Å; T484-K488 WeakPolarHBondContact O-CB 3.31Å; T484-K488 PolarHBondContact O-N 3.4Å; Y485-K488 WeakPolarHBondContact O-CB 3.47Å; Y485-K488 PolarHBondContact O-N 2.86Å; Y485-K488 VanDerWaalsContact O-N 3.16Å; V486-K488 VanDerWaalsContact C-N 3.33Å; V486-K488 PolarHBondContact O-N 2.67Å; K488-A490 VanDerWaalsContact C-N 3.33Å; K488-A490 PolarHBondContact O-N 3.08Å; K488-A491 PolarHBondContact O-N 3.34Å; K488-E492 WeakPolarHBondContact CE-OE1 3.45Å; K488-E492 WeakPolarHBondContact CG-OE1 3.14Å; K488-E492 WeakPolarHBondContact O-CG 3.33Å; K488-E492 PolarHBondContact O-N 3.01Å
489	V	97.6	Very high	96.5	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-62.6	-39.8	179.3	176.9	0	0	0	0	111.3	W233 K237 F238 F473 Y485 V486 E492 W493	W233-V489 HydrophobicContact CH2-CG1 3.88Å; W233-V489 HydrophobicContact CZ3-CG1 3.72Å; K237-V489 HydrophobicContact CB-CG1 4.11Å; K237-V489 HydrophobicContact CB-CG2 4.3Å; K237-V489 HydrophobicContact CD-CG2 4.5Å; K237-V489 HydrophobicContact CG-CG1 4.13Å; F238-V489 HydrophobicContact CE2-CG1 3.81Å; F238-V489 HydrophobicContact CZ-CB 4.25Å; F238-V489 HydrophobicContact CZ-CG1 3.92Å; F238-V489 HydrophobicContact CZ-CG2 4.39Å; F473-V489 HydrophobicContact CE2-CG1 4.08Å; F473-V489 HydrophobicContact CZ-CG1 4.18Å; Y485-V489 HydrophobicContact CD1-CG2 4.2Å; Y485-V489 HydrophobicContact CE1-CG2 3.63Å; Y485-V489 HydrophobicContact CE2-CG2 4.3Å; Y485-V489 WeakPolarHBondContact O-CG2 3.41Å; Y485-V489 PolarHBondContact O-N 3.11Å; V486-V489 PolarHBondContact O-N 2.81Å; V489-E492 PolarHBondContact O-N 2.94Å; V489-W493 WeakPolarHBondContact O-CB 2.94Å; V489-W493 PolarHBondContact O-N 3.48Å
490	A	97.7	Very high	96.5	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-61.8	-44.3	175.7	0	0	0	0	0	112.4	V438 F473 V486 K488 E492 W493 R494 V501 V503	V438-A490 HydrophobicContact CG1-CB 4.32Å; F473-A490 HydrophobicContact CD2-CB 4.36Å; F473-A490 HydrophobicContact CE2-CB 4.38Å; V486-A490 WeakPolarHBondContact O-CB 3.27Å; V486-A490 PolarHBondContact O-N 3.16Å; K488-A490 VanDerWaalsContact C-N 3.33Å; K488-A490 PolarHBondContact O-N 3.08Å; A490-E492 VanDerWaalsContact C-N 3.35Å; A490-E492 PolarHBondContact O-N 3.23Å; A490-W493 PolarHBondContact O-N 2.88Å; A490-R494 PolarHBondContact O-N 3Å; A490-V501 HydrophobicContact CB-CG1 3.93Å; A490-V501 HydrophobicContact CB-CG2 3.88Å; A490-V503 HydrophobicContact CB-CG2 3.69Å
491	A	95.3	Very high	96.6	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.008	10%	0.097	C	C	.	.	H	α-helix	trans	-62.9	-41.5	174.9	0	0	0	0	0	112	I293 K296 C487 K488 A495	I293-A491 HydrophobicContact CG2-CB 4.45Å; K296-A491 HydrophobicContact CB-CB 3.85Å; C487-A491 PolarHBondContact O-N 3.26Å; C487-A491 VanDerWaalsContact O-N 3.07Å; K488-A491 PolarHBondContact O-N 3.34Å; A491-A495 WeakPolarHBondContact O-CB 3.27Å; A491-A495 PolarHBondContact O-N 3.28Å
492	E	95.7	Very high	96.6	Very high	43 Å²	43	18.3 Å²	18.3	20%	0.201	9%	0.094	C	C	.	.	H	α-helix	trans	-66.5	-37.1	175.9	-70.5	174.4	-173.9	0	0	112.2	W233 K237 K488 V489 A490 A495 T496	W233-E492 HydrophobicContact CH2-CB 3.98Å; W233-E492 HydrophobicContact CZ2-CB 3.93Å; K237-E492 WeakPolarHBondContact CE-OE2 3.33Å; K237-E492 IonicContact NZ-OE2 2.83Å; K237-E492 PolarHBondContact NZ-OE2 2.53Å; K488-E492 WeakPolarHBondContact CE-OE1 3.45Å; K488-E492 WeakPolarHBondContact CG-OE1 3.14Å; K488-E492 WeakPolarHBondContact O-CG 3.33Å; K488-E492 PolarHBondContact O-N 3.01Å; V489-E492 PolarHBondContact O-N 2.94Å; A490-E492 VanDerWaalsContact C-N 3.35Å; A490-E492 PolarHBondContact O-N 3.23Å; E492-A495 PolarHBondContact O-N 2.66Å; E492-T496 VanDerWaalsContact O-CB 3.25Å; E492-T496 WeakPolarHBondContact O-CB 3.39Å; E492-T496 PolarHBondContact O-N 3.12Å; E492-T496 PolarHBondContact O-OG1 2.93Å
493	W	96.8	Very high	96.7	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-61	-53.2	174.7	166.9	-87.4	0	0	0	110.6	I225 Q230 W233 I234 P471 V489 A490 A495 T496 F497 K499 D500 V501	I225-W493 HydrophobicContact CD1-CH2 4.02Å; Q230-W493 HydrophobicContact CB-CH2 3.65Å; Q230-W493 HydrophobicContact CB-CZ3 3.84Å; Q230-W493 HydrophobicContact CG-CH2 3.57Å; Q230-W493 HydrophobicContact CG-CZ2 4.48Å; Q230-W493 HydrophobicContact CG-CZ3 3.93Å; W233-W493 AromaticContact CE3-CE3 3.98Å; W233-W493 HydrophobicContact CE3-CE3 3.98Å; W233-W493 HydrophobicContact CH2-CB 3.99Å; W233-W493 HydrophobicContact CZ3-CB 4.06Å; W233-W493 HydrophobicContact CZ3-CE3 4.01Å; I234-W493 HydrophobicContact CD1-CE3 4.14Å; I234-W493 HydrophobicContact CD1-CH2 4.22Å; I234-W493 HydrophobicContact CD1-CZ3 3.61Å; I234-W493 HydrophobicContact CG1-CE3 4.12Å; I234-W493 HydrophobicContact CG1-CZ3 3.88Å; P471-W493 VanDerWaalsContact CD-CE2 3.47Å; P471-W493 HydrophobicContact CG-CD2 3.64Å; P471-W493 HydrophobicContact CG-CE3 4.03Å; P471-W493 HydrophobicContact CG-CG 4.19Å; P471-W493 HydrophobicContact CG-CH2 3.92Å; P471-W493 HydrophobicContact CG-CZ2 3.54Å; P471-W493 HydrophobicContact CG-CZ3 4.17Å; V489-W493 WeakPolarHBondContact O-CB 2.94Å; V489-W493 PolarHBondContact O-N 3.48Å; A490-W493 PolarHBondContact O-N 2.88Å; W493-A495 PolarHBondContact O-N 2.94Å; W493-T496 PolarHBondContact O-N 3.27Å; W493-F497 AromaticContact CD2-CD2 3.66Å; W493-F497 HydrophobicContact CD2-CD2 3.66Å; W493-F497 HydrophobicContact CD2-CE2 4.37Å; W493-F497 AromaticContact CE3-CD2 3.3Å; W493-F497 HydrophobicContact CE3-CD2 3.3Å; W493-F497 AromaticContact CE3-CE2 3.56Å; W493-F497 HydrophobicContact CE3-CE2 3.56Å; W493-F497 HydrophobicContact CE3-CG 4.35Å; W493-F497 HydrophobicContact CG-CD2 4.36Å; W493-F497 HydrophobicContact CH2-CD2 4.07Å; W493-F497 HydrophobicContact CH2-CE2 4.47Å; W493-F497 HydrophobicContact CH2-CG 4.47Å; W493-F497 HydrophobicContact CZ2-CB 4.45Å; W493-F497 HydrophobicContact CZ2-CD2 4.36Å; W493-F497 AromaticContact CZ3-CD2 3.52Å; W493-F497 HydrophobicContact CZ3-CD2 3.52Å; W493-F497 AromaticContact CZ3-CE2 3.62Å; W493-F497 HydrophobicContact CZ3-CE2 3.62Å; W493-F497 HydrophobicContact CZ3-CG 4.33Å; W493-F497 PolarHBondContact O-N 2.89Å; W493-K499 HydrophobicContact CZ2-CB 4.28Å; W493-K499 HydrophobicContact CZ2-CD 4.48Å; W493-K499 PolarHBondContact NE1-O 2.97Å; W493-D500 PolarHBondContact NE1-O 3.25Å; W493-D500 VanDerWaalsContact NE1-O 3.08Å; W493-V501 HydrophobicContact CG-CB 4.23Å
494	R	94.8	Very high	96.7	Very high	1 Å²	1	18.3 Å²	18.3	0%	0.004	9%	0.094	C	C	.	.	H	α-helix	trans	-58.5	-41.5	179.3	-173.6	-86.5	177.7	-168.2	-3.8	110.6	G400 V403 M404 T434 H435 G436 V438 A490 T496 H498	G400-R494 VanDerWaalsContact O-CZ 3.31Å; G400-R494 PolarHBondContact O-NH1 3.39Å; G400-R494 PolarHBondContact O-NH2 3.49Å; G400-R494 VanDerWaalsContact O-NH2 3.13Å; V403-R494 PolarHBondContact O-NH2 2.78Å; M404-R494 VanDerWaalsContact CB-NH2 3.26Å; M404-R494 HydrophobicContact CE-CG 4.34Å; T434-R494 PolarHBondContact O-NH2 3.49Å; H435-R494 PolarHBondContact O-NE 3.04Å; H435-R494 VanDerWaalsContact O-NE 3.1Å; H435-R494 PolarHBondContact O-NH2 3.14Å; G436-R494 WeakPolarHBondContact O-CG 3.47Å; G436-R494 PolarHBondContact O-NE 3.33Å; V438-R494 HydrophobicContact CG2-CB 4.01Å; V438-R494 HydrophobicContact CG2-CG 4.27Å; A490-R494 PolarHBondContact O-N 3Å; R494-T496 VanDerWaalsContact C-N 3.33Å; R494-T496 PolarHBondContact O-N 2.91Å; R494-H498 VanDerWaalsContact O-CA 3.28Å; R494-H498 WeakPolarHBondContact O-CA 3.46Å; R494-H498 PolarHBondContact O-N 3.23Å
495	A	92.3	Very high	96.7	Very high	28 Å²	28	17.4 Å²	17.4	23%	0.231	9%	0.088	C	C	.	.	H	α-helix	trans	-66.6	-31.7	177.4	0	0	0	0	0	114	P298 A491 E492 W493	P298-A495 HydrophobicContact CB-CB 4Å; P298-A495 HydrophobicContact CG-CB 3.6Å; A491-A495 WeakPolarHBondContact O-CB 3.27Å; A491-A495 PolarHBondContact O-N 3.28Å; E492-A495 PolarHBondContact O-N 2.66Å; W493-A495 PolarHBondContact O-N 2.94Å
496	T	94.1	Very high	96.7	Very high	71 Å²	71	17.2 Å²	17.2	44%	0.436	9%	0.089	S	C	.	.	H	α-helix	trans	-87.1	-44.9	-174.6	-56.7	0	0	0	0	111.5	E492 W493 R494	E492-T496 VanDerWaalsContact O-CB 3.25Å; E492-T496 WeakPolarHBondContact O-CB 3.39Å; E492-T496 PolarHBondContact O-N 3.12Å; E492-T496 PolarHBondContact O-OG1 2.93Å; W493-T496 PolarHBondContact O-N 3.27Å; R494-T496 VanDerWaalsContact C-N 3.33Å; R494-T496 PolarHBondContact O-N 2.91Å
497	F	95.3	Very high	96.7	Very high	31 Å²	31	17.2 Å²	17.2	14%	0.136	9%	0.089	C	C	.	.	H	α-helix	trans	-109.8	-9.1	-169.7	-63.5	-68	0	0	0	113.9	Q230 W233 W493 K499	Q230-F497 HydrophobicContact CB-CE1 4.48Å; Q230-F497 HydrophobicContact CB-CZ 4.43Å; Q230-F497 HydrophobicContact CG-CD1 3.54Å; Q230-F497 HydrophobicContact CG-CD2 4.24Å; Q230-F497 HydrophobicContact CG-CE1 3.49Å; Q230-F497 VanDerWaalsContact CG-CE1 3.49Å; Q230-F497 HydrophobicContact CG-CE2 4.18Å; Q230-F497 HydrophobicContact CG-CG 3.92Å; Q230-F497 HydrophobicContact CG-CZ 3.82Å; W233-F497 HydrophobicContact CB-CE2 3.99Å; W233-F497 HydrophobicContact CB-CZ 3.78Å; W233-F497 AromaticContact CD1-CZ 3.95Å; W233-F497 AromaticContact CD2-CE2 3.7Å; W233-F497 HydrophobicContact CD2-CE2 3.7Å; W233-F497 HydrophobicContact CD2-CZ 4.32Å; W233-F497 HydrophobicContact CE3-CE2 4.09Å; W233-F497 AromaticContact CG-CE2 3.66Å; W233-F497 HydrophobicContact CG-CE2 3.66Å; W233-F497 AromaticContact CG-CZ 3.77Å; W233-F497 HydrophobicContact CG-CZ 3.77Å; W493-F497 AromaticContact CD2-CD2 3.66Å; W493-F497 HydrophobicContact CD2-CD2 3.66Å; W493-F497 HydrophobicContact CD2-CE2 4.37Å; W493-F497 AromaticContact CE3-CD2 3.3Å; W493-F497 HydrophobicContact CE3-CD2 3.3Å; W493-F497 AromaticContact CE3-CE2 3.56Å; W493-F497 HydrophobicContact CE3-CE2 3.56Å; W493-F497 HydrophobicContact CE3-CG 4.35Å; W493-F497 HydrophobicContact CG-CD2 4.36Å; W493-F497 HydrophobicContact CH2-CD2 4.07Å; W493-F497 HydrophobicContact CH2-CE2 4.47Å; W493-F497 HydrophobicContact CH2-CG 4.47Å; W493-F497 HydrophobicContact CZ2-CB 4.45Å; W493-F497 HydrophobicContact CZ2-CD2 4.36Å; W493-F497 AromaticContact CZ3-CD2 3.52Å; W493-F497 HydrophobicContact CZ3-CD2 3.52Å; W493-F497 AromaticContact CZ3-CE2 3.62Å; W493-F497 HydrophobicContact CZ3-CE2 3.62Å; W493-F497 HydrophobicContact CZ3-CG 4.33Å; W493-F497 PolarHBondContact O-N 2.89Å; F497-K499 HydrophobicContact CB-CB 4.5Å; F497-K499 PolarHBondContact O-N 3.12Å
498	H	95	Very high	96.7	Very high	52 Å²	52	17.2 Å²	17.2	24%	0.241	9%	0.089	C	C	.	.			trans	56.3	35.7	-178.8	-59.5	-85.8	0	0	0	113.3	D399 N401 H435 G436 R494	D399-H498 PolarHBondContact O-CE1 2.96Å; D399-H498 PolarHBondContact O-ND1 3.01Å; D399-H498 VanDerWaalsContact O-ND1 3.07Å; N401-H498 PolarHBondContact OD1-CE1 3.12Å; H435-H498 VanDerWaalsContact C-C 3.47Å; H435-H498 CarbonylContact C-O 3.56Å; H435-H498 HydrophobicContact CB-CB 3.95Å; H435-H498 CarbonylContact O-C 3.53Å; H435-H498 WeakPolarHBondContact O-CA 3.34Å; G436-H498 PolarHBondContact N-O 2.78Å; R494-H498 VanDerWaalsContact O-CA 3.28Å; R494-H498 WeakPolarHBondContact O-CA 3.46Å; R494-H498 PolarHBondContact O-N 3.23Å
499	K	96	Very high	96.6	Very high	49 Å²	49	14.2 Å²	14.2	21%	0.213	8%	0.076	C	C	.	.			trans	-124.5	156.1	-177.6	-74.8	-176.1	179.8	-176.9	0	111.9	Q230 W493 F497	Q230-K499 VanDerWaalsContact NE2-NZ 3.18Å; W493-K499 HydrophobicContact CZ2-CB 4.28Å; W493-K499 HydrophobicContact CZ2-CD 4.48Å; W493-K499 PolarHBondContact NE1-O 2.97Å; F497-K499 HydrophobicContact CB-CB 4.5Å; F497-K499 PolarHBondContact O-N 3.12Å
500	D	98.2	Very high	96.5	Very high	6 Å²	6	17.4 Å²	17.4	3%	0.032	9%	0.088	C	C	.	.			trans	-59.7	150.2	174.9	-72	13.7	0	0	0	111	F424 G436 T437 H439 A470 P471 W493	F424-D500 HydrophobicContact CD1-CB 4.42Å; F424-D500 VanDerWaalsContact CD1-OD2 3.27Å; F424-D500 WeakPolarHBondContact CD1-OD2 3.28Å; F424-D500 HydrophobicContact CE1-CB 4.08Å; F424-D500 WeakPolarHBondContact CE1-OD2 3.35Å; G436-D500 VanDerWaalsContact CA-OD1 3.26Å; G436-D500 WeakPolarHBondContact CA-OD1 3.48Å; T437-D500 PolarHBondContact N-OD1 2.83Å; T437-D500 VanDerWaalsContact O-CA 3.29Å; T437-D500 WeakPolarHBondContact O-CA 3.46Å; H439-D500 IonicContact NE2-OD2 3.83Å; H439-D500 PolarHBondContact NE2-OD2 2.83Å; A470-D500 HydrophobicContact CB-CB 4.01Å; A470-D500 WeakPolarHBondContact CB-O 3.2Å; P471-D500 WeakPolarHBondContact CD-O 3.34Å; W493-D500 PolarHBondContact NE1-O 3.25Å; W493-D500 VanDerWaalsContact NE1-O 3.08Å
501	V	98.4	Very high	96.2	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	141.5	174.8	53.1	0	0	0	0	109.6	T437 V438 H439 P471 F473 A490 W493	T437-V501 PolarHBondContact O-N 3.48Å; V438-V501 HydrophobicContact CB-CG1 4.41Å; V438-V501 HydrophobicContact CG1-CG1 4.38Å; V438-V501 HydrophobicContact CG2-CG1 3.97Å; H439-V501 PolarHBondContact N-O 3.31Å; P471-V501 HydrophobicContact CG-CB 4.24Å; P471-V501 HydrophobicContact CG-CG2 4.02Å; F473-V501 HydrophobicContact CD2-CG2 3.87Å; F473-V501 HydrophobicContact CE2-CG2 3.54Å; F473-V501 HydrophobicContact CZ-CG2 4.32Å; A490-V501 HydrophobicContact CB-CG1 3.93Å; A490-V501 HydrophobicContact CB-CG2 3.88Å; W493-V501 HydrophobicContact CG-CB 4.23Å
502	V	98.8	Very high	96	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	129.4	-178.4	-171.4	0	0	0	0	111	F414 F424 H439 V441 T462 A465 P471 I472 F473	F414-V502 HydrophobicContact CZ-CG1 4.49Å; F424-V502 HydrophobicContact CZ-CG2 4.15Å; H439-V502 HydrophobicContact CB-CB 4.41Å; H439-V502 HydrophobicContact CB-CG1 4.27Å; H439-V502 HydrophobicContact CB-CG2 4.09Å; V441-V502 HydrophobicContact CG2-CG1 3.97Å; T462-V502 HydrophobicContact CG2-CG1 3.51Å; A465-V502 HydrophobicContact CB-CG2 3.46Å; A465-V502 VanDerWaalsContact CB-CG2 3.46Å; P471-V502 PolarHBondContact O-N 3.13Å; I472-V502 WeakPolarHBondContact CA-O 3.49Å; I472-V502 HydrophobicContact CG1-CB 4.31Å; I472-V502 HydrophobicContact CG2-CB 4.37Å; F473-V502 PolarHBondContact N-O 2.98Å
503	V	98.8	Very high	95.8	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	111.5	168.9	-178.5	0	0	0	0	108.4	H439 V440 V441 F473 V475 V486 A490 L505	H439-V503 PolarHBondContact O-N 2.94Å; V440-V503 WeakPolarHBondContact CA-O 3.45Å; V441-V503 PolarHBondContact N-O 3.37Å; F473-V503 CarbonylContact O-C 3.51Å; F473-V503 WeakPolarHBondContact O-CA 3.49Å; V475-V503 HydrophobicContact CG1-CG1 4.16Å; V486-V503 HydrophobicContact CG1-CG1 3.84Å; V486-V503 HydrophobicContact CG1-CG2 4.03Å; A490-V503 HydrophobicContact CB-CG2 3.69Å; V503-L505 HydrophobicContact CG1-CD2 3.73Å; V503-L505 HydrophobicContact CG1-CG 4.3Å
504	D	98.6	Very high	95.4	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	101.8	175.5	-178.1	23.4	0	0	0	109.7	N443 T462 F473 H474 V475 V506	N443-D504 WeakPolarHBondContact CB-OD1 3.18Å; N443-D504 PolarHBondContact ND2-OD1 2.93Å; N443-D504 PolarHBondContact ND2-OD2 2.9Å; T462-D504 HydrophobicContact CG2-CB 3.89Å; F473-D504 PolarHBondContact O-N 2.95Å; H474-D504 HydrophobicContact CB-CB 4.38Å; H474-D504 IonicContact CE1-OD2 3.22Å; H474-D504 IonicContact CG-OD2 2.95Å; H474-D504 WeakPolarHBondContact ND1-CB 3.32Å; H474-D504 IonicContact ND1-OD2 2.8Å; H474-D504 PolarHBondContact ND1-OD2 2.99Å; V475-D504 PolarHBondContact N-O 3.11Å; D504-V506 PolarHBondContact O-N 2.8Å
505	L	98.2	Very high	95	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	90.9	177.2	-59.9	-177.3	0	0	0	109.1	L286 A289 V440 V441 N443 V475 V483 V503 C507	L286-L505 HydrophobicContact CB-CD1 4.34Å; L286-L505 HydrophobicContact CD1-CD1 3.81Å; A289-L505 HydrophobicContact CB-CD1 4.33Å; V440-L505 HydrophobicContact CG1-CD1 3.5Å; V440-L505 HydrophobicContact CG1-CG 3.85Å; V441-L505 WeakPolarHBondContact O-CB 3.42Å; V441-L505 PolarHBondContact O-N 3.36Å; N443-L505 PolarHBondContact N-O 2.72Å; V475-L505 HydrophobicContact CG1-CD2 3.51Å; V483-L505 HydrophobicContact CG1-CD2 3.93Å; V483-L505 HydrophobicContact CG2-CD2 4.22Å; V503-L505 HydrophobicContact CG1-CD2 3.73Å; V503-L505 HydrophobicContact CG1-CG 4.3Å; L505-C507 PolarHBondContact O-N 3.47Å
506	V	98	Very high	94.8	Very high	10 Å²	10	27.1 Å²	27.1	6%	0.061	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	110.4	178.8	-172.1	0	0	0	0	108.8	L147 V475 A477 D504	L147-V506 HydrophobicContact CB-CB 4.41Å; L147-V506 HydrophobicContact CB-CG2 4.2Å; L147-V506 WeakPolarHBondContact O-CB 3.29Å; L147-V506 WeakPolarHBondContact O-CG1 3.38Å; V475-V506 PolarHBondContact O-N 2.83Å; A477-V506 VanDerWaalsContact CB-O 3.27Å; A477-V506 WeakPolarHBondContact CB-O 3.39Å; A477-V506 PolarHBondContact N-O 2.73Å; D504-V506 PolarHBondContact O-N 2.8Å
507	C	97.3	Very high	94.7	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.123	C	C	.	.			trans	-140.5	-163.7	-168	77.9	0	0	0	0	110.4	G282 C283 N443 N444 Q445 A477 L505	G282-C507 VanDerWaalsContact O-CB 3.31Å; G282-C507 WeakPolarHBondContact O-CB 3.49Å; C283-C507 HydrophobicContact CB-CB 3.79Å; C283-C507 VanDerWaalsContact CB-SG 3.5Å; N443-C507 VanDerWaalsContact C-SG 3.56Å; N443-C507 PolarHBondContact O-N 2.82Å; N443-C507 PolarHBondContact O-SG 2.81Å; N444-C507 WeakPolarHBondContact CA-SG 3.14Å; Q445-C507 PolarHBondContact NE2-O 3.38Å; A477-C507 HydrophobicContact CB-CB 3.5Å; A477-C507 VanDerWaalsContact CB-CB 3.5Å; L505-C507 PolarHBondContact O-N 3.47Å
508	Y	96.7	Very high	94.7	Very high	1 Å²	1	28.6 Å²	28.6	0%	0.004	14%	0.136	C	C	.	.			trans	-140.7	169.8	171.8	59.6	-86	0	0	0	111	P149 L150 G282 R510 I530	P149-Y508 HydrophobicContact CB-CD1 4.3Å; P149-Y508 HydrophobicContact CB-CE1 4.47Å; P149-Y508 HydrophobicContact CG-CD1 3.88Å; P149-Y508 HydrophobicContact CG-CE1 4.48Å; L150-Y508 HydrophobicContact CD2-CD1 3.93Å; L150-Y508 HydrophobicContact CD2-CG 3.9Å; L150-Y508 HydrophobicContact CG-CG 4.46Å; G282-Y508 CarbonylContact C-O 3.28Å; G282-Y508 VanDerWaalsContact C-O 3.28Å; G282-Y508 WeakPolarHBondContact CA-O 3.22Å; G282-Y508 PolarHBondContact O-N 3.23Å; Y508-R510 HydrophobicContact CE2-CB 4.38Å; Y508-R510 PolarHBondContact OH-NH2 3.44Å; Y508-I530 HydrophobicContact CD2-CB 4.44Å; Y508-I530 HydrophobicContact CD2-CD1 4.41Å; Y508-I530 HydrophobicContact CD2-CG1 3.94Å; Y508-I530 HydrophobicContact CD2-CG2 3.85Å; Y508-I530 HydrophobicContact CE2-CG2 4.08Å; Y508-I530 HydrophobicContact CG-CG1 4.28Å
509	R	95.7	Very high	94.7	Very high	6 Å²	6	26.6 Å²	26.6	2%	0.023	13%	0.127	C	C	.	.			trans	-110.8	112.3	174.5	-179.7	171.7	79.9	-149.2	4	110	R312 N444 I446 F448 M511 G512 H513 Y527	R312-R509 VanDerWaalsContact NH1-CD 3.32Å; R312-R509 VanDerWaalsContact NH1-CG 3.32Å; N444-R509 HydrophobicContact CB-CB 4.12Å; I446-R509 HydrophobicContact CG2-CB 4.5Å; F448-R509 PolarHBondContact O-NH2 2.93Å; R509-M511 VanDerWaalsContact CG-O 3.3Å; R509-M511 WeakPolarHBondContact CG-O 3.46Å; R509-M511 PolarHBondContact NE-O 3.36Å; R509-M511 PolarHBondContact O-N 2.9Å; R509-G512 WeakPolarHBondContact CD-O 3.49Å; R509-G512 VanDerWaalsContact NE-C 3.32Å; R509-G512 PolarHBondContact NE-O 3.45Å; R509-G512 VanDerWaalsContact NE-O 3.1Å; R509-H513 PolarHBondContact NH1-ND1 3.15Å; R509-H513 VanDerWaalsContact NH2-N 3.18Å; R509-Y527 PolarHBondContact NE-OH 3.4Å; R509-Y527 PolarHBondContact NH2-OH 3.45Å; R509-Y527 WeakPolarHBondContact O-CE1 3.25Å
510	R	94.5	Very high	94.7	Very high	67 Å²	67	28.1 Å²	28.1	25%	0.253	14%	0.136	S	C	.	.	S	Bend	trans	-66.5	-36.6	-174.4	-172.6	166.2	-74.7	-86.8	-2.3	114.2	E281 Y508 I530 Q533	E281-R510 HydrophobicContact CB-CB 3.68Å; E281-R510 HydrophobicContact CB-CG 4.45Å; E281-R510 PolarHBondContact O-N 2.93Å; Y508-R510 HydrophobicContact CE2-CB 4.38Å; Y508-R510 PolarHBondContact OH-NH2 3.44Å; R510-I530 HydrophobicContact CG-CG2 4.43Å; R510-Q533 PolarHBondContact NH2-O 2.84Å
511	M	92.2	Very high	94.6	Very high	64 Å²	64	36.1 Å²	36.1	32%	0.315	17%	0.171	S	C	.	.	S	Bend	trans	-102.4	-179.1	-179.8	-59.6	-58.6	-70.1	0	0	111.5	R509 Y527	R509-M511 VanDerWaalsContact CG-O 3.3Å; R509-M511 WeakPolarHBondContact CG-O 3.46Å; R509-M511 PolarHBondContact NE-O 3.36Å; R509-M511 PolarHBondContact O-N 2.9Å; M511-Y527 WeakPolarHBondContact O-CE1 3.46Å; M511-Y527 PolarHBondContact O-OH 2.71Å
512	G	91.7	Very high	94.5	Very high	3 Å²	3	39.3 Å²	39.3	3%	0.031	19%	0.19	C	C	.	.			trans	-61.4	-175.7	167.5	0	0	0	0	0	113.2	R509 N514	R509-G512 WeakPolarHBondContact CD-O 3.49Å; R509-G512 VanDerWaalsContact NE-C 3.32Å; R509-G512 PolarHBondContact NE-O 3.45Å; R509-G512 VanDerWaalsContact NE-O 3.1Å; G512-N514 CarbonylContact C-O 3.57Å; G512-N514 VanDerWaalsContact C-O 3.28Å; G512-N514 WeakPolarHBondContact CA-O 3.29Å; G512-N514 PolarHBondContact O-N 2.96Å
513	H	91.1	Very high	94.4	Very high	54 Å²	54	39.9 Å²	39.9	25%	0.25	19%	0.193	C	C	.	.	S	Bend	trans	-58.7	-34.3	178.9	178.8	71.6	0	0	0	112.4	F278 F448 R509 D517	F278-H513 WeakPolarHBondContact CD1-O 3.43Å; F278-H513 AromaticContact CE1-NE2 3.91Å; F448-H513 HydrophobicContact CD2-CB 3.78Å; F448-H513 AromaticContact CD2-CD2 3.16Å; F448-H513 WeakPolarHBondContact CD2-CD2 3.14Å; F448-H513 AromaticContact CD2-CE1 3.95Å; F448-H513 AromaticContact CD2-CG 3.27Å; F448-H513 AromaticContact CD2-ND1 3.78Å; F448-H513 AromaticContact CD2-NE2 3.62Å; F448-H513 HydrophobicContact CE2-CB 3.97Å; F448-H513 AromaticContact CE2-CD2 3.31Å; F448-H513 WeakPolarHBondContact CE2-CD2 3.3Å; F448-H513 AromaticContact CE2-CG 3.7Å; F448-H513 HydrophobicContact CG-CB 4.14Å; F448-H513 AromaticContact CG-CG 3.94Å; F448-H513 HydrophobicContact CZ-CB 4.47Å; R509-H513 PolarHBondContact NH1-ND1 3.15Å; R509-H513 VanDerWaalsContact NH2-N 3.18Å; H513-D517 PolarHBondContact N-OD2 3.13Å
514	N	87.7	Confident	94.2	Very high	20 Å²	20	42.4 Å²	42.4	11%	0.107	21%	0.209	C	C	.	.	S	Bend	trans	-124	168.1	158.9	63.1	90	0	0	0	108.5	K276 F278 G512 M516 D517	K276-N514 HydrophobicContact CD-CB 4.01Å; K276-N514 HydrophobicContact CG-CB 4.08Å; F278-N514 HydrophobicContact CE1-CB 4.32Å; G512-N514 CarbonylContact C-O 3.57Å; G512-N514 VanDerWaalsContact C-O 3.28Å; G512-N514 WeakPolarHBondContact CA-O 3.29Å; G512-N514 PolarHBondContact O-N 2.96Å; N514-M516 PolarHBondContact O-N 2.97Å; N514-M516 PolarHBondContact OD1-N 3.29Å; N514-D517 WeakPolarHBondContact O-CB 3.44Å; N514-D517 PolarHBondContact O-N 2.88Å; N514-D517 PolarHBondContact OD1-N 3.18Å
515	E	87.4	Confident	94	Very high	18 Å²	18	48.8 Å²	48.8	8%	0.084	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-16.2	-171.7	-67.7	71.4	-156.9	0	0	114.2	K276 R277 F278 G279	K276-E515 WeakPolarHBondContact CA-OE2 3.43Å; R277-E515 HydrophobicContact CG-CG 4.21Å; R277-E515 VanDerWaalsContact CG-OE1 3.3Å; R277-E515 WeakPolarHBondContact CG-OE1 3.49Å; R277-E515 PolarHBondContact N-OE2 3.18Å; F278-E515 WeakPolarHBondContact CA-OE1 3.43Å; F278-E515 PolarHBondContact N-OE1 3.49Å; F278-E515 PolarHBondContact N-OE2 3.24Å; G279-E515 PolarHBondContact N-OE1 3.39Å
516	M	87.3	Confident	93.9	Very high	118 Å²	118	49.7 Å²	49.7	58%	0.581	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.5	-5.9	177.5	-60.6	-173.2	-71.3	0	0	114.2	K276 N514	K276-M516 HydrophobicContact CD-CE 4.29Å; K276-M516 HydrophobicContact CG-CE 3.91Å; N514-M516 PolarHBondContact O-N 2.97Å; N514-M516 PolarHBondContact OD1-N 3.29Å
517	D	92.1	Very high	93.8	Very high	46 Å²	46	49.9 Å²	49.9	25%	0.246	25%	0.247	C	C	.	.			trans	-80.7	140.9	-178.9	-179.5	48.1	0	0	0	110.7	H513 N514 P519	H513-D517 PolarHBondContact N-OD2 3.13Å; N514-D517 WeakPolarHBondContact O-CB 3.44Å; N514-D517 PolarHBondContact O-N 2.88Å; N514-D517 PolarHBondContact OD1-N 3.18Å; D517-P519 WeakPolarHBondContact O-CD 3.29Å
518	E	95	Very high	93.8	Very high	87 Å²	87	55.4 Å²	55.4	41%	0.407	27%	0.271	S	S	.	.			trans	-102.7	96	179.9	175.6	51.7	-98.2	0	0	110	M520 F521	E518-M520 VanDerWaalsContact C-N 3.31Å; E518-M520 PolarHBondContact O-N 3.02Å; E518-M520 VanDerWaalsContact OE1-CB 3.23Å; E518-M520 WeakPolarHBondContact OE1-CB 3.39Å; E518-M520 WeakPolarHBondContact OE1-CG 3.28Å; E518-M520 PolarHBondContact OE1-N 2.83Å; E518-F521 HydrophobicContact CB-CD2 4.02Å; E518-F521 HydrophobicContact CB-CE1 4.38Å; E518-F521 HydrophobicContact CB-CE2 3.69Å; E518-F521 HydrophobicContact CB-CZ 3.88Å; E518-F521 HydrophobicContact CG-CD1 3.89Å; E518-F521 HydrophobicContact CG-CD2 4.1Å; E518-F521 HydrophobicContact CG-CE1 3.61Å; E518-F521 HydrophobicContact CG-CE2 3.85Å; E518-F521 HydrophobicContact CG-CG 4.13Å; E518-F521 HydrophobicContact CG-CZ 3.59Å; E518-F521 WeakPolarHBondContact O-CD2 3.24Å
519	P	94.8	Very high	93.8	Very high	10 Å²	10	58.1 Å²	58.1	7%	0.065	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-77.4	-14.5	-171.3	31.7	-37.5	0	0	0	113.7	D517 F521 T522 Q523 Y527	D517-P519 WeakPolarHBondContact O-CD 3.29Å; P519-F521 PolarHBondContact O-N 3.38Å; P519-T522 PolarHBondContact O-N 3.45Å; P519-Q523 PolarHBondContact O-N 3.37Å; P519-Y527 HydrophobicContact CB-CD1 4Å; P519-Y527 HydrophobicContact CB-CD2 3.75Å; P519-Y527 HydrophobicContact CB-CE1 3.62Å; P519-Y527 HydrophobicContact CB-CE2 3.36Å; P519-Y527 HydrophobicContact CB-CG 4.04Å; P519-Y527 HydrophobicContact CG-CD1 3.31Å; P519-Y527 HydrophobicContact CG-CD2 3.99Å; P519-Y527 HydrophobicContact CG-CE1 3.12Å; P519-Y527 HydrophobicContact CG-CE2 3.85Å; P519-Y527 HydrophobicContact CG-CG 3.73Å
520	M	96.1	Very high	93.8	Very high	80 Å²	80	58 Å²	58	39%	0.394	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-68.2	-14	177.5	-65.6	-165.8	66.4	0	0	113.1	E518 T522 P524 K528	E518-M520 VanDerWaalsContact C-N 3.31Å; E518-M520 PolarHBondContact O-N 3.02Å; E518-M520 VanDerWaalsContact OE1-CB 3.23Å; E518-M520 WeakPolarHBondContact OE1-CB 3.39Å; E518-M520 WeakPolarHBondContact OE1-CG 3.28Å; E518-M520 PolarHBondContact OE1-N 2.83Å; M520-T522 PolarHBondContact O-N 3.28Å; M520-P524 HydrophobicContact CE-CB 4.47Å; M520-K528 HydrophobicContact CE-CG 4Å
521	F	96.8	Very high	93.9	Very high	174 Å²	174	63.5 Å²	63.5	76%	0.763	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-62.4	-30.2	173.4	-65.2	-21.9	0	0	0	112.7	E518 P519	E518-F521 HydrophobicContact CB-CD2 4.02Å; E518-F521 HydrophobicContact CB-CE1 4.38Å; E518-F521 HydrophobicContact CB-CE2 3.69Å; E518-F521 HydrophobicContact CB-CZ 3.88Å; E518-F521 HydrophobicContact CG-CD1 3.89Å; E518-F521 HydrophobicContact CG-CD2 4.1Å; E518-F521 HydrophobicContact CG-CE1 3.61Å; E518-F521 HydrophobicContact CG-CE2 3.85Å; E518-F521 HydrophobicContact CG-CG 4.13Å; E518-F521 HydrophobicContact CG-CZ 3.59Å; E518-F521 WeakPolarHBondContact O-CD2 3.24Å; P519-F521 PolarHBondContact O-N 3.38Å
522	T	96.2	Very high	94	Very high	68 Å²	68	68.2 Å²	68.2	42%	0.417	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.1	-32.9	-175.8	44.1	0	0	0	0	112.7	T449 P519 M520 P524	T449-T522 HydrophobicContact CG2-CG2 4.28Å; P519-T522 PolarHBondContact O-N 3.45Å; M520-T522 PolarHBondContact O-N 3.28Å; T522-P524 WeakPolarHBondContact O-CD 3.15Å
523	Q	96.1	Very high	94.2	Very high	12 Å²	12	69.3 Å²	69.3	6%	0.056	33%	0.332	C	S	.	.			trans	-122.2	55.9	-178	-73.1	72.8	36.4	0	0	113.6	I446 T449 D451 P519 L525 M526 Y527	I446-Q523 HydrophobicContact CD1-CB 4.4Å; I446-Q523 HydrophobicContact CD1-CG 3.7Å; T449-Q523 PolarHBondContact O-NE2 3.03Å; D451-Q523 WeakPolarHBondContact OD1-CG 3.29Å; D451-Q523 PolarHBondContact OD1-NE2 2.98Å; P519-Q523 PolarHBondContact O-N 3.37Å; Q523-L525 VanDerWaalsContact C-N 3.33Å; Q523-L525 PolarHBondContact O-N 3.3Å; Q523-M526 HydrophobicContact CB-CB 4.15Å; Q523-M526 HydrophobicContact CB-CE 4.13Å; Q523-M526 HydrophobicContact CB-SD 4.32Å; Q523-M526 HydrophobicContact CG-CE 3.75Å; Q523-M526 HydrophobicContact CG-SD 4.43Å; Q523-M526 PolarHBondContact O-N 3.48Å; Q523-Y527 HydrophobicContact CB-CD2 3.84Å; Q523-Y527 HydrophobicContact CB-CE2 4.05Å; Q523-Y527 WeakPolarHBondContact O-CD2 3.24Å; Q523-Y527 PolarHBondContact O-N 3.46Å; Q523-Y527 VanDerWaalsContact O-N 3.1Å
524	P	95.8	Very high	94.4	Very high	52 Å²	52	70 Å²	70	34%	0.338	34%	0.335	S	S	.	.	H	α-helix	trans	-64	-31.9	-172.6	25.6	-35.1	0	0	0	114.2	M520 T522 K528	M520-P524 HydrophobicContact CE-CB 4.47Å; T522-P524 WeakPolarHBondContact O-CD 3.15Å; P524-K528 WeakPolarHBondContact O-CB 3.34Å; P524-K528 WeakPolarHBondContact O-CD 3.48Å; P524-K528 WeakPolarHBondContact O-CG 3.43Å; P524-K528 PolarHBondContact O-N 2.7Å; P524-K528 VanDerWaalsContact O-N 3.12Å
525	L	94.3	Very high	94.7	Very high	135 Å²	135	71 Å²	71	71%	0.707	34%	0.342	S	S	*	.	H	α-helix	trans	-73.9	-47.3	-179.6	-64.2	-179.1	0	0	0	111.8	Q523 Y527 K528 Q529	Q523-L525 VanDerWaalsContact C-N 3.33Å; Q523-L525 PolarHBondContact O-N 3.3Å; L525-Y527 PolarHBondContact O-N 3.2Å; L525-K528 PolarHBondContact O-N 3.44Å; L525-Q529 PolarHBondContact O-N 3.08Å; L525-Q529 VanDerWaalsContact O-N 3.14Å
526	M	95.6	Very high	95.1	Very high	18 Å²	18	70.2 Å²	70.2	9%	0.089	34%	0.339	C	S	.	.	H	α-helix	trans	-56.3	-49.5	175.1	-176.8	-165.9	-55.1	0	0	110.9	L150 I152 I446 Q523 K528 Q529 I530	L150-M526 HydrophobicContact CD1-CG 3.9Å; I152-M526 HydrophobicContact CD1-CB 3.85Å; I152-M526 HydrophobicContact CD1-CG 3.67Å; I446-M526 HydrophobicContact CB-CE 4.39Å; I446-M526 HydrophobicContact CB-SD 4.41Å; I446-M526 HydrophobicContact CD1-CE 4.37Å; I446-M526 HydrophobicContact CD1-SD 4.31Å; Q523-M526 HydrophobicContact CB-CB 4.15Å; Q523-M526 HydrophobicContact CB-CE 4.13Å; Q523-M526 HydrophobicContact CB-SD 4.32Å; Q523-M526 HydrophobicContact CG-CE 3.75Å; Q523-M526 HydrophobicContact CG-SD 4.43Å; Q523-M526 PolarHBondContact O-N 3.48Å; M526-K528 PolarHBondContact O-N 3.29Å; M526-Q529 WeakPolarHBondContact O-CA 3.44Å; M526-Q529 WeakPolarHBondContact O-CB 3.49Å; M526-Q529 PolarHBondContact O-N 3.31Å; M526-I530 HydrophobicContact CG-CD1 3.79Å; M526-I530 HydrophobicContact CG-CG1 4.5Å; M526-I530 WeakPolarHBondContact O-CG1 3.33Å; M526-I530 PolarHBondContact O-N 3.26Å; M526-I530 HydrophobicContact SD-CD1 4.31Å
527	Y	96.6	Very high	95.5	Very high	14 Å²	14	65 Å²	65	6%	0.055	31%	0.313	C	S	.	.	H	α-helix	trans	-73.8	-26.1	-177	-80.3	-94.7	0	0	0	113.9	I446 R509 M511 P519 Q523 L525 Q529 I530 K531	I446-Y527 HydrophobicContact CD1-CE2 4.39Å; R509-Y527 PolarHBondContact NE-OH 3.4Å; R509-Y527 PolarHBondContact NH2-OH 3.45Å; R509-Y527 WeakPolarHBondContact O-CE1 3.25Å; M511-Y527 WeakPolarHBondContact O-CE1 3.46Å; M511-Y527 PolarHBondContact O-OH 2.71Å; P519-Y527 HydrophobicContact CB-CD1 4Å; P519-Y527 HydrophobicContact CB-CD2 3.75Å; P519-Y527 HydrophobicContact CB-CE1 3.62Å; P519-Y527 HydrophobicContact CB-CE2 3.36Å; P519-Y527 HydrophobicContact CB-CG 4.04Å; P519-Y527 HydrophobicContact CG-CD1 3.31Å; P519-Y527 HydrophobicContact CG-CD2 3.99Å; P519-Y527 HydrophobicContact CG-CE1 3.12Å; P519-Y527 HydrophobicContact CG-CE2 3.85Å; P519-Y527 HydrophobicContact CG-CG 3.73Å; Q523-Y527 HydrophobicContact CB-CD2 3.84Å; Q523-Y527 HydrophobicContact CB-CE2 4.05Å; Q523-Y527 WeakPolarHBondContact O-CD2 3.24Å; Q523-Y527 PolarHBondContact O-N 3.46Å; Q523-Y527 VanDerWaalsContact O-N 3.1Å; L525-Y527 PolarHBondContact O-N 3.2Å; Y527-Q529 VanDerWaalsContact C-N 3.27Å; Y527-Q529 PolarHBondContact O-N 3.45Å; Y527-I530 HydrophobicContact CD1-CD1 4.04Å; Y527-I530 HydrophobicContact CD2-CD1 4.27Å; Y527-I530 HydrophobicContact CE1-CD1 4.06Å; Y527-I530 HydrophobicContact CE2-CD1 4.28Å; Y527-I530 HydrophobicContact CG-CD1 4.17Å; Y527-K531 WeakPolarHBondContact O-CB 3.46Å; Y527-K531 PolarHBondContact O-N 3.1Å
528	K	96.5	Very high	95.7	Very high	116 Å²	116	66.7 Å²	66.7	50%	0.504	32%	0.319	S	S	.	.	H	α-helix	trans	-62.3	-36.8	166	-80.2	170.7	-173.2	178.4	0	111.7	M520 P524 L525 M526	M520-K528 HydrophobicContact CE-CG 4Å; P524-K528 WeakPolarHBondContact O-CB 3.34Å; P524-K528 WeakPolarHBondContact O-CD 3.48Å; P524-K528 WeakPolarHBondContact O-CG 3.43Å; P524-K528 PolarHBondContact O-N 2.7Å; P524-K528 VanDerWaalsContact O-N 3.12Å; L525-K528 PolarHBondContact O-N 3.44Å; M526-K528 PolarHBondContact O-N 3.29Å
529	Q	96.3	Very high	95.8	Very high	59 Å²	59	65.6 Å²	65.6	28%	0.276	31%	0.313	S	S	.	.	H	α-helix	trans	-74	-46.9	177.2	-170.7	66	-8.2	0	0	111.4	L150 I152 L525 M526 Y527 K531 K532 Q533	L150-Q529 HydrophobicContact CB-CG 4.18Å; L150-Q529 HydrophobicContact CD2-CG 4.44Å; L150-Q529 VanDerWaalsContact O-CG 3.3Å; L150-Q529 WeakPolarHBondContact O-CG 3.27Å; L150-Q529 PolarHBondContact O-NE2 3.4Å; I152-Q529 HydrophobicContact CG2-CB 4.29Å; I152-Q529 HydrophobicContact CG2-CG 4.02Å; L525-Q529 PolarHBondContact O-N 3.08Å; L525-Q529 VanDerWaalsContact O-N 3.14Å; M526-Q529 WeakPolarHBondContact O-CA 3.44Å; M526-Q529 WeakPolarHBondContact O-CB 3.49Å; M526-Q529 PolarHBondContact O-N 3.31Å; Y527-Q529 VanDerWaalsContact C-N 3.27Å; Y527-Q529 PolarHBondContact O-N 3.45Å; Q529-K531 PolarHBondContact O-N 3.42Å; Q529-K532 WeakPolarHBondContact O-CA 3.47Å; Q529-K532 WeakPolarHBondContact O-CB 3.44Å; Q529-K532 PolarHBondContact O-N 3.48Å; Q529-Q533 PolarHBondContact O-N 2.94Å
530	I	96.6	Very high	95.9	Very high	4 Å²	4	65.3 Å²	65.3	2%	0.021	31%	0.311	C	S	.	.	H	α-helix	trans	-54.2	-41.1	174.4	-69.5	166.4	0	0	0	111.4	L150 Y508 R510 M526 Y527 K532 Q533	L150-I530 HydrophobicContact CD1-CD1 4.19Å; L150-I530 HydrophobicContact CD1-CG1 3.85Å; L150-I530 HydrophobicContact CD2-CG1 3.68Å; L150-I530 HydrophobicContact CG-CG1 4.45Å; Y508-I530 HydrophobicContact CD2-CB 4.44Å; Y508-I530 HydrophobicContact CD2-CD1 4.41Å; Y508-I530 HydrophobicContact CD2-CG1 3.94Å; Y508-I530 HydrophobicContact CD2-CG2 3.85Å; Y508-I530 HydrophobicContact CE2-CG2 4.08Å; Y508-I530 HydrophobicContact CG-CG1 4.28Å; R510-I530 HydrophobicContact CG-CG2 4.43Å; M526-I530 HydrophobicContact CG-CD1 3.79Å; M526-I530 HydrophobicContact CG-CG1 4.5Å; M526-I530 WeakPolarHBondContact O-CG1 3.33Å; M526-I530 PolarHBondContact O-N 3.26Å; M526-I530 HydrophobicContact SD-CD1 4.31Å; Y527-I530 HydrophobicContact CD1-CD1 4.04Å; Y527-I530 HydrophobicContact CD2-CD1 4.27Å; Y527-I530 HydrophobicContact CE1-CD1 4.06Å; Y527-I530 HydrophobicContact CE2-CD1 4.28Å; Y527-I530 HydrophobicContact CG-CD1 4.17Å; I530-K532 PolarHBondContact O-N 3.36Å; I530-Q533 VanDerWaalsContact O-CB 3.31Å; I530-Q533 WeakPolarHBondContact O-CB 3.45Å; I530-Q533 PolarHBondContact O-N 3.26Å
531	K	95.7	Very high	95.9	Very high	181 Å²	181	61.7 Å²	61.7	79%	0.787	29%	0.294	S	S	*	.	H	α-helix	trans	-62.1	-28.7	178	-170.1	172.4	-176.1	173.7	0	113.2	Y527 Q529	Y527-K531 WeakPolarHBondContact O-CB 3.46Å; Y527-K531 PolarHBondContact O-N 3.1Å; Q529-K531 PolarHBondContact O-N 3.42Å
532	K	95.4	Very high	95.9	Very high	164 Å²	164	57.6 Å²	57.6	71%	0.713	28%	0.277	S	S	*	.	H	α-helix	trans	-84	-14.9	174.7	-62.5	173.6	-175	175.7	0	112.6	Q529 I530 K534	Q529-K532 WeakPolarHBondContact O-CA 3.47Å; Q529-K532 WeakPolarHBondContact O-CB 3.44Å; Q529-K532 PolarHBondContact O-N 3.48Å; I530-K532 PolarHBondContact O-N 3.36Å; K532-K534 PolarHBondContact O-N 3.19Å
533	Q	94.9	Very high	95.8	Very high	26 Å²	26	57.6 Å²	57.6	12%	0.121	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-68.7	122.6	-177	-72.9	-63.4	-14.3	0	0	111.7	P149 L150 R510 Q529 I530	P149-Q533 PolarHBondContact O-NE2 2.95Å; L150-Q533 HydrophobicContact CD2-CG 3.63Å; R510-Q533 PolarHBondContact NH2-O 2.84Å; Q529-Q533 PolarHBondContact O-N 2.94Å; I530-Q533 VanDerWaalsContact O-CB 3.31Å; I530-Q533 WeakPolarHBondContact O-CB 3.45Å; I530-Q533 PolarHBondContact O-N 3.26Å
534	K	95.1	Very high	95.8	Very high	68 Å²	68	57 Å²	57	30%	0.296	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-65.8	133.8	168.8	-172.5	175.4	-165.8	161.4	0	110	K532 Q538 K539 E542	K532-K534 PolarHBondContact O-N 3.19Å; K534-Q538 VanDerWaalsContact CE-CG 3.46Å; K534-Q538 HydrophobicContact CG-CB 4.25Å; K534-Q538 HydrophobicContact CG-CG 4.42Å; K534-K539 HydrophobicContact CB-CG 4.15Å; K534-K539 HydrophobicContact CD-CG 3.97Å; K534-K539 HydrophobicContact CG-CG 4.03Å; K534-K539 WeakPolarHBondContact O-CE 3.48Å; K534-E542 WeakPolarHBondContact CE-OE1 3.49Å; K534-E542 WeakPolarHBondContact CE-OE2 3.35Å; K534-E542 IonicContact NZ-OE1 3.53Å; K534-E542 PolarHBondContact NZ-OE1 3.14Å; K534-E542 IonicContact NZ-OE2 3.11Å; K534-E542 PolarHBondContact NZ-OE2 3.29Å
535	P	94.6	Very high	95.8	Very high	42 Å²	42	57.6 Å²	57.6	27%	0.273	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-58.7	145.6	178.9	-25.5	35.1	0	0	0	113.2	L537 Q538 K539	P535-L537 PolarHBondContact O-N 3.04Å; P535-Q538 WeakPolarHBondContact O-CB 3.34Å; P535-Q538 PolarHBondContact O-N 2.96Å; P535-Q538 VanDerWaalsContact O-N 3.07Å; P535-K539 PolarHBondContact O-N 3.21Å
536	V	95.4	Very high	95.8	Very high	1 Å²	1	55.5 Å²	55.5	1%	0.006	27%	0.27	C	S	.	.	H	α-helix	trans	-60.3	-44.3	-174.9	-171.1	0	0	0	0	112.2	M258 D478 P480 Q538 K539 Y540	M258-V536 HydrophobicContact CE-CB 3.89Å; M258-V536 HydrophobicContact CE-CG1 3.54Å; D478-V536 HydrophobicContact CB-CG2 4.48Å; D478-V536 WeakPolarHBondContact OD1-CG2 3.21Å; P480-V536 HydrophobicContact CG-CG1 3.81Å; V536-Q538 PolarHBondContact O-N 3.02Å; V536-K539 PolarHBondContact O-N 2.53Å; V536-Y540 WeakPolarHBondContact O-CB 3.28Å; V536-Y540 PolarHBondContact O-N 2.92Å
537	L	96.8	Very high	95.7	Very high	8 Å²	8	59 Å²	59	4%	0.042	29%	0.286	C	S	.	.	H	α-helix	trans	-56	-40.8	176.6	176.4	62	0	0	0	111.7	L255 M258 V259 T262 P535 Y540 A541 Y555	L255-L537 HydrophobicContact CD1-CD1 3.93Å; M258-L537 HydrophobicContact CB-CD1 3.83Å; V259-L537 HydrophobicContact CG2-CD1 3.8Å; V259-L537 HydrophobicContact CG2-CD2 4.28Å; T262-L537 HydrophobicContact CG2-CB 4.25Å; T262-L537 HydrophobicContact CG2-CD2 4.07Å; P535-L537 PolarHBondContact O-N 3.04Å; L537-Y540 PolarHBondContact O-N 3.4Å; L537-A541 VanDerWaalsContact O-CB 3.25Å; L537-A541 WeakPolarHBondContact O-CB 3.36Å; L537-A541 PolarHBondContact O-N 3.18Å; L537-Y555 HydrophobicContact CD1-CE2 4.11Å; L537-Y555 HydrophobicContact CG-CE2 4.24Å
538	Q	95.9	Very high	95.4	Very high	81 Å²	81	61.2 Å²	61.2	38%	0.379	31%	0.313	S	S	.	.	H	α-helix	trans	-70	-44.1	-180	-165.5	-173.4	-4.9	0	0	111.5	K534 P535 V536 Y540 A541 E542	K534-Q538 VanDerWaalsContact CE-CG 3.46Å; K534-Q538 HydrophobicContact CG-CB 4.25Å; K534-Q538 HydrophobicContact CG-CG 4.42Å; P535-Q538 WeakPolarHBondContact O-CB 3.34Å; P535-Q538 PolarHBondContact O-N 2.96Å; P535-Q538 VanDerWaalsContact O-N 3.07Å; V536-Q538 PolarHBondContact O-N 3.02Å; Q538-Y540 VanDerWaalsContact C-N 3.3Å; Q538-Y540 PolarHBondContact O-N 2.98Å; Q538-A541 PolarHBondContact O-N 3.26Å; Q538-E542 PolarHBondContact NE2-OE1 3.24Å; Q538-E542 WeakPolarHBondContact O-CG 3.21Å; Q538-E542 PolarHBondContact O-N 2.85Å; Q538-E542 VanDerWaalsContact O-N 3.1Å
539	K	95.7	Very high	95.1	Very high	64 Å²	64	55.7 Å²	55.7	28%	0.278	29%	0.29	S	S	.	.	H	α-helix	trans	-55.3	-47.7	174.3	-69.3	179.3	177.2	177.9	0	110.8	D478 K534 P535 V536 K543	D478-K539 IonicContact OD2-NZ 3.96Å; D478-K539 PolarHBondContact OD2-NZ 3.43Å; K534-K539 HydrophobicContact CB-CG 4.15Å; K534-K539 HydrophobicContact CD-CG 3.97Å; K534-K539 HydrophobicContact CG-CG 4.03Å; K534-K539 WeakPolarHBondContact O-CE 3.48Å; P535-K539 PolarHBondContact O-N 3.21Å; V536-K539 PolarHBondContact O-N 2.53Å; K539-K543 PolarHBondContact O-N 3.3Å
540	Y	96.9	Very high	95	Very high	5 Å²	5	53.4 Å²	53.4	2%	0.02	28%	0.279	C	S	.	.	H	α-helix	trans	-71.5	-41.3	-177.3	-172.1	-119.6	0	0	0	113.1	K251 L254 L255 M258 P480 E481 V536 L537 Q538 E542 K543 L544	K251-Y540 WeakPolarHBondContact CA-OH 3.45Å; K251-Y540 PolarHBondContact O-OH 3.04Å; L254-Y540 HydrophobicContact CB-CE1 4.26Å; L254-Y540 HydrophobicContact CD2-CE1 4.25Å; L254-Y540 HydrophobicContact CD2-CE2 4.35Å; L254-Y540 WeakPolarHBondContact CD2-OH 3.32Å; L254-Y540 HydrophobicContact CG-CE1 3.84Å; L255-Y540 HydrophobicContact CB-CE1 4.08Å; L255-Y540 HydrophobicContact CD1-CD1 4.14Å; L255-Y540 HydrophobicContact CD1-CE1 4.49Å; M258-Y540 HydrophobicContact CG-CD1 4.49Å; P480-Y540 HydrophobicContact CB-CD2 4.44Å; P480-Y540 HydrophobicContact CB-CG 4.5Å; P480-Y540 HydrophobicContact CG-CD2 4.18Å; P480-Y540 HydrophobicContact CG-CG 4.03Å; E481-Y540 HydrophobicContact CG-CE2 3.92Å; V536-Y540 WeakPolarHBondContact O-CB 3.28Å; V536-Y540 PolarHBondContact O-N 2.92Å; L537-Y540 PolarHBondContact O-N 3.4Å; Q538-Y540 VanDerWaalsContact C-N 3.3Å; Q538-Y540 PolarHBondContact O-N 2.98Å; Y540-E542 VanDerWaalsContact C-N 3.34Å; Y540-E542 PolarHBondContact O-N 3.12Å; Y540-K543 WeakPolarHBondContact O-CB 3.24Å; Y540-K543 PolarHBondContact O-N 3.38Å; Y540-L544 HydrophobicContact CD1-CD1 4.09Å; Y540-L544 HydrophobicContact CD1-CG 4.46Å; Y540-L544 HydrophobicContact CE1-CD1 3.52Å; Y540-L544 HydrophobicContact CE1-CG 4.08Å; Y540-L544 HydrophobicContact CE2-CD1 4.43Å; Y540-L544 HydrophobicContact CE2-CD2 4.04Å; Y540-L544 HydrophobicContact CE2-CG 4.13Å; Y540-L544 WeakPolarHBondContact O-CG 3.44Å; Y540-L544 PolarHBondContact O-N 2.87Å
541	A	96.8	Very high	94.9	Very high	4 Å²	4	55.6 Å²	55.6	3%	0.033	30%	0.295	C	S	.	.	H	α-helix	trans	-60.5	-43	176.5	0	0	0	0	0	111.9	L255 L537 Q538 L544 I545 Y555	L255-A541 HydrophobicContact CD1-CB 4.35Å; L537-A541 VanDerWaalsContact O-CB 3.25Å; L537-A541 WeakPolarHBondContact O-CB 3.36Å; L537-A541 PolarHBondContact O-N 3.18Å; Q538-A541 PolarHBondContact O-N 3.26Å; A541-L544 PolarHBondContact O-N 2.91Å; A541-I545 WeakPolarHBondContact O-CD1 3.19Å; A541-I545 VanDerWaalsContact O-CG1 3.3Å; A541-I545 WeakPolarHBondContact O-CG1 3.4Å; A541-I545 PolarHBondContact O-N 3.49Å; A541-Y555 HydrophobicContact CB-CD1 4.48Å; A541-Y555 HydrophobicContact CB-CD2 3.85Å; A541-Y555 HydrophobicContact CB-CE1 4.23Å; A541-Y555 HydrophobicContact CB-CE2 3.56Å; A541-Y555 HydrophobicContact CB-CG 4.28Å
542	E	96.1	Very high	94.9	Very high	87 Å²	87	55.3 Å²	55.3	41%	0.407	29%	0.289	S	S	.	.	H	α-helix	trans	-64.7	-39.8	176.9	-72.7	173.1	-169.2	0	0	112.5	K534 Q538 Y540 I545 A546	K534-E542 WeakPolarHBondContact CE-OE1 3.49Å; K534-E542 WeakPolarHBondContact CE-OE2 3.35Å; K534-E542 IonicContact NZ-OE1 3.53Å; K534-E542 PolarHBondContact NZ-OE1 3.14Å; K534-E542 IonicContact NZ-OE2 3.11Å; K534-E542 PolarHBondContact NZ-OE2 3.29Å; Q538-E542 PolarHBondContact NE2-OE1 3.24Å; Q538-E542 WeakPolarHBondContact O-CG 3.21Å; Q538-E542 PolarHBondContact O-N 2.85Å; Q538-E542 VanDerWaalsContact O-N 3.1Å; Y540-E542 VanDerWaalsContact C-N 3.34Å; Y540-E542 PolarHBondContact O-N 3.12Å; E542-I545 PolarHBondContact O-N 3.23Å; E542-A546 WeakPolarHBondContact O-CB 3.12Å; E542-A546 PolarHBondContact O-N 3.28Å
543	K	95.4	Very high	94.9	Very high	68 Å²	68	53.6 Å²	53.6	30%	0.296	28%	0.284	S	S	.	.	H	α-helix	trans	-57.5	-51.1	171.9	176.4	-179.7	169.3	-174.8	0	110.9	E481 K539 Y540 I545 A546 E547	E481-K543 IonicContact OE1-NZ 2.73Å; E481-K543 PolarHBondContact OE1-NZ 3.1Å; E481-K543 IonicContact OE2-NZ 3.48Å; E481-K543 PolarHBondContact OE2-NZ 3.46Å; K539-K543 PolarHBondContact O-N 3.3Å; Y540-K543 WeakPolarHBondContact O-CB 3.24Å; Y540-K543 PolarHBondContact O-N 3.38Å; K543-I545 VanDerWaalsContact C-N 3.32Å; K543-I545 PolarHBondContact O-N 3.29Å; K543-A546 PolarHBondContact O-N 3.38Å; K543-E547 WeakPolarHBondContact CE-OE1 3.41Å; K543-E547 WeakPolarHBondContact CG-OE1 3.46Å; K543-E547 WeakPolarHBondContact O-CB 3.34Å; K543-E547 WeakPolarHBondContact O-CG 3.42Å; K543-E547 PolarHBondContact O-N 3.24Å
544	L	96	Very high	94.8	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-63.9	-35.1	-178.9	-67.9	-171.7	0	0	0	113.5	K251 L255 Y540 A541 G548 A549 V550	K251-L544 HydrophobicContact CB-CD1 4.49Å; K251-L544 HydrophobicContact CB-CD2 3.77Å; K251-L544 HydrophobicContact CD-CD2 3.7Å; K251-L544 HydrophobicContact CG-CD2 3.96Å; L255-L544 HydrophobicContact CB-CD1 3.81Å; L255-L544 HydrophobicContact CD1-CD1 4.31Å; L255-L544 HydrophobicContact CD2-CD1 4.01Å; L255-L544 HydrophobicContact CG-CD1 4.26Å; Y540-L544 HydrophobicContact CD1-CD1 4.09Å; Y540-L544 HydrophobicContact CD1-CG 4.46Å; Y540-L544 HydrophobicContact CE1-CD1 3.52Å; Y540-L544 HydrophobicContact CE1-CG 4.08Å; Y540-L544 HydrophobicContact CE2-CD1 4.43Å; Y540-L544 HydrophobicContact CE2-CD2 4.04Å; Y540-L544 HydrophobicContact CE2-CG 4.13Å; Y540-L544 WeakPolarHBondContact O-CG 3.44Å; Y540-L544 PolarHBondContact O-N 2.87Å; A541-L544 PolarHBondContact O-N 2.91Å; L544-G548 PolarHBondContact O-N 3.33Å; L544-A549 HydrophobicContact CB-CB 4.34Å; L544-A549 HydrophobicContact CD2-CB 4.08Å; L544-A549 PolarHBondContact O-N 2.85Å; L544-V550 HydrophobicContact CB-CB 4.45Å; L544-V550 HydrophobicContact CB-CG2 4.39Å; L544-V550 HydrophobicContact CD1-CG2 4.14Å; L544-V550 PolarHBondContact O-N 3.13Å
545	I	95.4	Very high	94.8	Very high	65 Å²	65	55 Å²	55	33%	0.333	29%	0.29	S	S	.	.	H	α-helix	trans	-68.7	-44.5	174.9	-69.8	160.4	0	0	0	110.6	A541 E542 K543 E547 G548 V550 R552	A541-I545 WeakPolarHBondContact O-CD1 3.19Å; A541-I545 VanDerWaalsContact O-CG1 3.3Å; A541-I545 WeakPolarHBondContact O-CG1 3.4Å; A541-I545 PolarHBondContact O-N 3.49Å; E542-I545 PolarHBondContact O-N 3.23Å; K543-I545 VanDerWaalsContact C-N 3.32Å; K543-I545 PolarHBondContact O-N 3.29Å; I545-E547 VanDerWaalsContact C-N 3.27Å; I545-E547 PolarHBondContact O-N 3.19Å; I545-G548 PolarHBondContact O-N 3.06Å; I545-V550 WeakPolarHBondContact CA-O 3.44Å; I545-V550 WeakPolarHBondContact CG1-O 3.43Å; I545-R552 HydrophobicContact CD1-CB 4.45Å
546	A	95.1	Very high	94.9	Very high	90 Å²	90	57.8 Å²	57.8	74%	0.744	30%	0.299	S	S	*	.	H	α-helix	trans	-62.7	-35.4	178.2	0	0	0	0	0	112.3	E542 K543 G548	E542-A546 WeakPolarHBondContact O-CB 3.12Å; E542-A546 PolarHBondContact O-N 3.28Å; K543-A546 PolarHBondContact O-N 3.38Å; A546-G548 VanDerWaalsContact C-N 3.27Å; A546-G548 PolarHBondContact O-N 3.5Å
547	E	92.1	Very high	94.9	Very high	92 Å²	92	62.7 Å²	62.7	43%	0.43	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-6.1	175.3	-67.8	174.4	177.7	0	0	113.6	K251 K543 I545 A549	K251-E547 IonicContact NZ-OE1 2.71Å; K251-E547 IonicContact NZ-OE2 3.96Å; K251-E547 PolarHBondContact NZ-OE2 2.86Å; K543-E547 WeakPolarHBondContact CE-OE1 3.41Å; K543-E547 WeakPolarHBondContact CG-OE1 3.46Å; K543-E547 WeakPolarHBondContact O-CB 3.34Å; K543-E547 WeakPolarHBondContact O-CG 3.42Å; K543-E547 PolarHBondContact O-N 3.24Å; I545-E547 VanDerWaalsContact C-N 3.27Å; I545-E547 PolarHBondContact O-N 3.19Å; E547-A549 PolarHBondContact O-N 3.46Å
548	G	90.1	Very high	94.9	Very high	60 Å²	60	64 Å²	64	62%	0.619	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.9	15.7	-177.4	0	0	0	0	0	114.5	L544 I545 A546	L544-G548 PolarHBondContact O-N 3.33Å; I545-G548 PolarHBondContact O-N 3.06Å; A546-G548 VanDerWaalsContact C-N 3.27Å; A546-G548 PolarHBondContact O-N 3.5Å
549	A	91.1	Very high	94.9	Very high	1 Å²	1	61.5 Å²	61.5	1%	0.008	32%	0.317	C	S	.	.	S	Bend	trans	-74.1	-32.1	179.7	0	0	0	0	0	112.8	L248 K251 R252 L544 E547	L248-A549 HydrophobicContact CD2-CB 3.64Å; K251-A549 HydrophobicContact CD-CB 4.36Å; R252-A549 PolarHBondContact NE-O 3.27Å; R252-A549 PolarHBondContact NH2-O 2.9Å; R252-A549 VanDerWaalsContact NH2-O 3.12Å; L544-A549 HydrophobicContact CB-CB 4.34Å; L544-A549 HydrophobicContact CD2-CB 4.08Å; L544-A549 PolarHBondContact O-N 2.85Å; E547-A549 PolarHBondContact O-N 3.46Å
550	V	93.8	Very high	95	Very high	10 Å²	10	61.3 Å²	61.3	6%	0.061	33%	0.327	C	S	.	.	S	Bend	trans	-142.8	138.1	180	-174.9	0	0	0	0	108.9	R252 L255 L544 I545 E554	R252-V550 HydrophobicContact CG-CG2 3.75Å; L255-V550 HydrophobicContact CD2-CB 4.33Å; L255-V550 HydrophobicContact CD2-CG1 3.98Å; L255-V550 HydrophobicContact CD2-CG2 3.97Å; L544-V550 HydrophobicContact CB-CB 4.45Å; L544-V550 HydrophobicContact CB-CG2 4.39Å; L544-V550 HydrophobicContact CD1-CG2 4.14Å; L544-V550 PolarHBondContact O-N 3.13Å; I545-V550 WeakPolarHBondContact CA-O 3.44Å; I545-V550 WeakPolarHBondContact CG1-O 3.43Å; V550-E554 HydrophobicContact CG1-CB 3.62Å
551	S	95	Very high	95	Very high	51 Å²	51	66.2 Å²	66.2	36%	0.357	35%	0.349	S	S	.	.			trans	-79.2	158.6	171.8	67.4	0	0	0	0	111.6	Q553 E554 Y555	S551-Q553 PolarHBondContact O-N 3.39Å; S551-E554 WeakPolarHBondContact CB-OE2 3.49Å; S551-E554 PolarHBondContact N-OE2 2.86Å; S551-E554 PolarHBondContact O-N 3.45Å; S551-E554 VanDerWaalsContact OG-CG 3.27Å; S551-E554 WeakPolarHBondContact OG-CG 3.49Å; S551-E554 PolarHBondContact OG-N 2.98Å; S551-E554 PolarHBondContact OG-OE2 3.44Å; S551-Y555 PolarHBondContact O-N 2.96Å
552	R	94.9	Very high	95	Very high	175 Å²	175	66.2 Å²	66.2	66%	0.66	35%	0.348	S	S	*	.	H	α-helix	trans	-57.5	-37.4	175.6	-175.7	169.8	-176.2	157.2	6.3	112.6	I545 Y555 E556	I545-R552 HydrophobicContact CD1-CB 4.45Å; R552-Y555 PolarHBondContact O-N 3.48Å; R552-E556 WeakPolarHBondContact CG-OE1 3.49Å; R552-E556 IonicContact CZ-OE1 3.93Å; R552-E556 IonicContact NE-OE1 3.21Å; R552-E556 PolarHBondContact NE-OE1 2.83Å; R552-E556 WeakPolarHBondContact O-CG 3.39Å; R552-E556 PolarHBondContact O-N 3.27Å; R552-E556 VanDerWaalsContact O-N 3.13Å
553	Q	95.6	Very high	95	Very high	128 Å²	128	64 Å²	64	60%	0.598	34%	0.339	S	S	*	.	H	α-helix	trans	-64	-48.7	178.2	-177.8	-179.9	-11.6	0	0	111.7	S551 Y555 E556 E557	S551-Q553 PolarHBondContact O-N 3.39Å; Q553-Y555 VanDerWaalsContact C-N 3.26Å; Q553-Y555 PolarHBondContact O-N 3.43Å; Q553-E556 PolarHBondContact O-N 3.37Å; Q553-E557 HydrophobicContact CG-CG 4.42Å; Q553-E557 WeakPolarHBondContact CG-OE1 3.26Å; Q553-E557 PolarHBondContact NE2-OE1 3.48Å; Q553-E557 WeakPolarHBondContact O-CG 3.24Å; Q553-E557 PolarHBondContact O-N 3.05Å
554	E	93.6	Very high	95.1	Very high	81 Å²	81	67 Å²	67	38%	0.379	35%	0.352	S	S	.	.	H	α-helix	trans	-59.5	-37.2	178.6	-74.1	166.2	125.1	0	0	112.2	V550 S551 E558	V550-E554 HydrophobicContact CG1-CB 3.62Å; S551-E554 WeakPolarHBondContact CB-OE2 3.49Å; S551-E554 PolarHBondContact N-OE2 2.86Å; S551-E554 PolarHBondContact O-N 3.45Å; S551-E554 VanDerWaalsContact OG-CG 3.27Å; S551-E554 WeakPolarHBondContact OG-CG 3.49Å; S551-E554 PolarHBondContact OG-N 2.98Å; S551-E554 PolarHBondContact OG-OE2 3.44Å; E554-E558 PolarHBondContact O-N 3.12Å; E554-E558 VanDerWaalsContact O-N 3.12Å
555	Y	95.8	Very high	95.1	Very high	42 Å²	42	70 Å²	70	17%	0.165	37%	0.367	C	S	.	.	H	α-helix	trans	-64.3	-47.2	175	169.3	-112.6	0	0	0	112.5	L255 V259 L537 A541 S551 R552 Q553 E557 E558 I559	L255-Y555 HydrophobicContact CD1-CD2 4.07Å; L255-Y555 HydrophobicContact CD1-CE2 4.24Å; L255-Y555 HydrophobicContact CD2-CD2 4.25Å; V259-Y555 HydrophobicContact CG2-CE2 4.4Å; L537-Y555 HydrophobicContact CD1-CE2 4.11Å; L537-Y555 HydrophobicContact CG-CE2 4.24Å; A541-Y555 HydrophobicContact CB-CD1 4.48Å; A541-Y555 HydrophobicContact CB-CD2 3.85Å; A541-Y555 HydrophobicContact CB-CE1 4.23Å; A541-Y555 HydrophobicContact CB-CE2 3.56Å; A541-Y555 HydrophobicContact CB-CG 4.28Å; S551-Y555 PolarHBondContact O-N 2.96Å; R552-Y555 PolarHBondContact O-N 3.48Å; Q553-Y555 VanDerWaalsContact C-N 3.26Å; Q553-Y555 PolarHBondContact O-N 3.43Å; Y555-E557 VanDerWaalsContact C-N 3.32Å; Y555-E557 PolarHBondContact O-N 2.74Å; Y555-E558 PolarHBondContact O-N 3.08Å; Y555-I559 HydrophobicContact CD1-CD1 4.38Å; Y555-I559 HydrophobicContact CD2-CD1 4.41Å; Y555-I559 HydrophobicContact CE1-CD1 3.74Å; Y555-I559 HydrophobicContact CE2-CD1 3.77Å; Y555-I559 HydrophobicContact CE2-CG1 4.3Å; Y555-I559 VanDerWaalsContact CZ-CD1 3.41Å; Y555-I559 PolarHBondContact O-N 3.36Å
556	E	95.9	Very high	95.2	Very high	100 Å²	100	66.9 Å²	66.9	47%	0.467	35%	0.351	S	S	.	.	H	α-helix	trans	-64.5	-36.9	178.8	-71.7	171.7	-173.6	0	0	111.7	R552 Q553 I559 A560	R552-E556 WeakPolarHBondContact CG-OE1 3.49Å; R552-E556 IonicContact CZ-OE1 3.93Å; R552-E556 IonicContact NE-OE1 3.21Å; R552-E556 PolarHBondContact NE-OE1 2.83Å; R552-E556 WeakPolarHBondContact O-CG 3.39Å; R552-E556 PolarHBondContact O-N 3.27Å; R552-E556 VanDerWaalsContact O-N 3.13Å; Q553-E556 PolarHBondContact O-N 3.37Å; E556-I559 PolarHBondContact O-N 3.12Å; E556-A560 WeakPolarHBondContact O-CB 3.35Å; E556-A560 PolarHBondContact O-N 3.23Å
557	E	96	Very high	95.3	Very high	104 Å²	104	66 Å²	66	49%	0.486	33%	0.332	S	S	.	.	H	α-helix	trans	-64.5	-43.2	175.2	-74.4	175	-174.1	0	0	112.7	Q553 Y555 I559 A560 K561	Q553-E557 HydrophobicContact CG-CG 4.42Å; Q553-E557 WeakPolarHBondContact CG-OE1 3.26Å; Q553-E557 PolarHBondContact NE2-OE1 3.48Å; Q553-E557 WeakPolarHBondContact O-CG 3.24Å; Q553-E557 PolarHBondContact O-N 3.05Å; Y555-E557 VanDerWaalsContact C-N 3.32Å; Y555-E557 PolarHBondContact O-N 2.74Å; E557-I559 VanDerWaalsContact C-N 3.33Å; E557-I559 PolarHBondContact O-N 2.77Å; E557-A560 PolarHBondContact O-N 3.08Å; E557-K561 WeakPolarHBondContact O-CB 3.33Å; E557-K561 PolarHBondContact O-N 3.24Å
558	E	95.6	Very high	95.4	Very high	36 Å²	36	65.8 Å²	65.8	17%	0.168	33%	0.331	C	S	.	.	H	α-helix	trans	-68.1	-32.8	178.8	-170.9	62.6	-157.4	0	0	111.8	A256 V259 E554 Y555 K561 Y562	A256-E558 HydrophobicContact CB-CG 4.23Å; V259-E558 HydrophobicContact CG1-CG 4.42Å; V259-E558 HydrophobicContact CG2-CG 4.44Å; E554-E558 PolarHBondContact O-N 3.12Å; E554-E558 VanDerWaalsContact O-N 3.12Å; Y555-E558 PolarHBondContact O-N 3.08Å; E558-K561 IonicContact OE1-NZ 3.95Å; E558-K561 WeakPolarHBondContact OE2-CD 3.44Å; E558-K561 IonicContact OE2-NZ 2.99Å; E558-K561 PolarHBondContact OE2-NZ 2.97Å; E558-Y562 PolarHBondContact O-N 2.94Å
559	I	97.1	Very high	95.6	Very high	29 Å²	29	63 Å²	63	15%	0.149	30%	0.302	C	S	.	.	H	α-helix	trans	-62.1	-54.8	169.6	-72.2	175.6	0	0	0	110.5	V259 Y555 E556 E557 K561 Y562 D563	V259-I559 HydrophobicContact CG1-CG1 4.07Å; V259-I559 HydrophobicContact CG2-CG1 4.28Å; Y555-I559 HydrophobicContact CD1-CD1 4.38Å; Y555-I559 HydrophobicContact CD2-CD1 4.41Å; Y555-I559 HydrophobicContact CE1-CD1 3.74Å; Y555-I559 HydrophobicContact CE2-CD1 3.77Å; Y555-I559 HydrophobicContact CE2-CG1 4.3Å; Y555-I559 VanDerWaalsContact CZ-CD1 3.41Å; Y555-I559 PolarHBondContact O-N 3.36Å; E556-I559 PolarHBondContact O-N 3.12Å; E557-I559 VanDerWaalsContact C-N 3.33Å; E557-I559 PolarHBondContact O-N 2.77Å; I559-K561 PolarHBondContact O-N 3.41Å; I559-Y562 PolarHBondContact O-N 3.01Å; I559-Y562 VanDerWaalsContact O-N 3.09Å; I559-D563 PolarHBondContact O-N 3.31Å
560	A	97	Very high	95.8	Very high	60 Å²	60	64.7 Å²	64.7	50%	0.496	31%	0.309	S	S	.	.	H	α-helix	trans	-57.9	-37.4	-176.3	0	0	0	0	0	111.9	E556 E557 K564	E556-A560 WeakPolarHBondContact O-CB 3.35Å; E556-A560 PolarHBondContact O-N 3.23Å; E557-A560 PolarHBondContact O-N 3.08Å; A560-K564 WeakPolarHBondContact O-CB 3.41Å; A560-K564 PolarHBondContact O-N 3.35Å
561	K	96.7	Very high	95.8	Very high	108 Å²	108	66.9 Å²	66.9	47%	0.47	33%	0.328	S	S	.	.	H	α-helix	trans	-61.7	-44.5	176.3	178.3	-174.5	174.3	-171	0	113	E557 E558 I559 I565	E557-K561 WeakPolarHBondContact O-CB 3.33Å; E557-K561 PolarHBondContact O-N 3.24Å; E558-K561 IonicContact OE1-NZ 3.95Å; E558-K561 WeakPolarHBondContact OE2-CD 3.44Å; E558-K561 IonicContact OE2-NZ 2.99Å; E558-K561 PolarHBondContact OE2-NZ 2.97Å; I559-K561 PolarHBondContact O-N 3.41Å; K561-I565 WeakPolarHBondContact O-CG1 3.22Å; K561-I565 PolarHBondContact O-N 3.12Å
562	Y	96.4	Very high	95.6	Very high	3 Å²	3	69.6 Å²	69.6	1%	0.012	33%	0.331	C	S	.	.	H	α-helix	trans	-76	-36.3	-179.9	-169.9	-104.6	0	0	0	112.6	R260 R263 F264 N320 E558 I559 K564 I565 C566	R260-Y562 HydrophobicContact CB-CD2 4.31Å; R260-Y562 HydrophobicContact CB-CE2 4Å; R260-Y562 HydrophobicContact CG-CD2 3.61Å; R260-Y562 HydrophobicContact CG-CE2 3.67Å; R260-Y562 HydrophobicContact CG-CG 4.14Å; R260-Y562 WeakPolarHBondContact O-CE1 3.46Å; R263-Y562 HydrophobicContact CB-CD1 3.62Å; R263-Y562 HydrophobicContact CB-CE1 4.11Å; F264-Y562 HydrophobicContact CB-CE1 3.98Å; N320-Y562 PolarHBondContact ND2-OH 3.17Å; N320-Y562 PolarHBondContact OD1-OH 2.71Å; E558-Y562 PolarHBondContact O-N 2.94Å; I559-Y562 PolarHBondContact O-N 3.01Å; I559-Y562 VanDerWaalsContact O-N 3.09Å; Y562-K564 VanDerWaalsContact C-N 3.28Å; Y562-K564 PolarHBondContact O-N 3.08Å; Y562-I565 HydrophobicContact CD2-CD1 4.4Å; Y562-I565 WeakPolarHBondContact O-CB 3.31Å; Y562-I565 PolarHBondContact O-N 2.89Å; Y562-I565 VanDerWaalsContact O-N 3.15Å; Y562-C566 WeakPolarHBondContact CE1-SG 3.39Å; Y562-C566 PolarHBondContact O-N 3.47Å; Y562-C566 PolarHBondContact O-SG 3.17Å; Y562-C566 VanDerWaalsContact O-SG 3.4Å
563	D	96.5	Very high	95.3	Very high	42 Å²	42	61.7 Å²	61.7	23%	0.225	30%	0.302	C	S	.	.	H	α-helix	trans	-58.7	-42.9	173.3	-76.9	0.6	0	0	0	111.1	R263 I559 I565 C566 E567	R263-D563 IonicContact CZ-OD1 2.89Å; R263-D563 IonicContact CZ-OD2 3.45Å; R263-D563 IonicContact NE-OD1 3.96Å; R263-D563 PolarHBondContact NE-OD1 3.47Å; R263-D563 IonicContact NE-OD2 3.25Å; R263-D563 IonicContact NH2-OD1 3.12Å; R263-D563 PolarHBondContact NH2-OD1 3.22Å; R263-D563 IonicContact NH2-OD2 2.97Å; R263-D563 PolarHBondContact NH2-OD2 3.38Å; I559-D563 PolarHBondContact O-N 3.31Å; D563-I565 PolarHBondContact O-N 3.31Å; D563-C566 PolarHBondContact O-N 3.23Å; D563-E567 PolarHBondContact O-N 3.11Å
564	K	97.4	Very high	94.9	Very high	130 Å²	130	61.8 Å²	61.8	57%	0.565	30%	0.3	S	S	*	.	H	α-helix	trans	-58.1	-45.8	174.1	-178.7	176	174.1	178.2	0	112.1	A560 Y562 C566 E567 E568	A560-K564 WeakPolarHBondContact O-CB 3.41Å; A560-K564 PolarHBondContact O-N 3.35Å; Y562-K564 VanDerWaalsContact C-N 3.28Å; Y562-K564 PolarHBondContact O-N 3.08Å; K564-C566 VanDerWaalsContact C-N 3.3Å; K564-C566 PolarHBondContact O-N 2.85Å; K564-E567 PolarHBondContact O-N 3.42Å; K564-E568 WeakPolarHBondContact CE-OE1 3.45Å; K564-E568 HydrophobicContact CG-CG 4.39Å; K564-E568 IonicContact NZ-OE1 2.64Å; K564-E568 WeakPolarHBondContact O-CB 3.29Å; K564-E568 VanDerWaalsContact O-CG 3.32Å; K564-E568 WeakPolarHBondContact O-CG 3.41Å; K564-E568 PolarHBondContact O-N 2.69Å
565	I	96.3	Very high	94.5	Very high	62 Å²	62	64.2 Å²	64.2	32%	0.318	32%	0.316	S	S	.	.	H	α-helix	trans	-58.4	-43	177.1	-69.4	166.4	0	0	0	111	L326 K561 Y562 D563 A569	L326-I565 HydrophobicContact CD1-CG2 3.75Å; K561-I565 WeakPolarHBondContact O-CG1 3.22Å; K561-I565 PolarHBondContact O-N 3.12Å; Y562-I565 HydrophobicContact CD2-CD1 4.4Å; Y562-I565 WeakPolarHBondContact O-CB 3.31Å; Y562-I565 PolarHBondContact O-N 2.89Å; Y562-I565 VanDerWaalsContact O-N 3.15Å; D563-I565 PolarHBondContact O-N 3.31Å; I565-A569 WeakPolarHBondContact O-CB 3.31Å; I565-A569 PolarHBondContact O-N 3.01Å; I565-A569 VanDerWaalsContact O-N 3.08Å
566	C	96.6	Very high	93.4	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-68.8	-44.7	-179.8	-64.7	0	0	0	0	112.3	F267 Y562 D563 K564 A569 F570	F267-C566 HydrophobicContact CB-CB 4.49Å; F267-C566 HydrophobicContact CD1-CB 4Å; F267-C566 HydrophobicContact CD2-CB 3.58Å; F267-C566 HydrophobicContact CE1-CB 4.06Å; F267-C566 HydrophobicContact CE2-CB 3.64Å; F267-C566 HydrophobicContact CG-CB 3.76Å; F267-C566 HydrophobicContact CZ-CB 3.88Å; F267-C566 WeakPolarHBondContact CZ-O 3.2Å; Y562-C566 WeakPolarHBondContact CE1-SG 3.39Å; Y562-C566 PolarHBondContact O-N 3.47Å; Y562-C566 PolarHBondContact O-SG 3.17Å; Y562-C566 VanDerWaalsContact O-SG 3.4Å; D563-C566 PolarHBondContact O-N 3.23Å; K564-C566 VanDerWaalsContact C-N 3.3Å; K564-C566 PolarHBondContact O-N 2.85Å; C566-A569 PolarHBondContact O-N 2.87Å; C566-F570 WeakPolarHBondContact O-CB 3.33Å; C566-F570 PolarHBondContact O-N 2.97Å
567	E	96.9	Very high	92	Very high	71 Å²	71	69.6 Å²	69.6	33%	0.332	34%	0.34	S	S	.	.	H	α-helix	trans	-63.9	-41.3	177.9	-71.9	-68.7	176.9	0	0	111.9	F267 K271 D563 K564 F570 A571	F267-E567 HydrophobicContact CE2-CG 3.93Å; K271-E567 WeakPolarHBondContact CE-OE1 3.37Å; K271-E567 WeakPolarHBondContact CE-OE2 3.22Å; K271-E567 VanDerWaalsContact NZ-CD 3.26Å; K271-E567 IonicContact NZ-OE1 3.67Å; K271-E567 PolarHBondContact NZ-OE1 2.93Å; K271-E567 IonicContact NZ-OE2 3.12Å; K271-E567 PolarHBondContact NZ-OE2 3.48Å; D563-E567 PolarHBondContact O-N 3.11Å; K564-E567 PolarHBondContact O-N 3.42Å; E567-F570 PolarHBondContact O-N 3.24Å; E567-A571 PolarHBondContact O-N 3.26Å
568	E	96.1	Very high	90.4	Very high	89 Å²	89	68.7 Å²	68.7	42%	0.416	34%	0.338	S	S	.	.	H	α-helix	trans	-63.5	-44.2	176.1	-74.2	176.4	177.1	0	0	112.1	K564 A571 R572	K564-E568 WeakPolarHBondContact CE-OE1 3.45Å; K564-E568 HydrophobicContact CG-CG 4.39Å; K564-E568 IonicContact NZ-OE1 2.64Å; K564-E568 WeakPolarHBondContact O-CB 3.29Å; K564-E568 VanDerWaalsContact O-CG 3.32Å; K564-E568 WeakPolarHBondContact O-CG 3.41Å; K564-E568 PolarHBondContact O-N 2.69Å; E568-A571 PolarHBondContact O-N 2.63Å; E568-R572 PolarHBondContact O-N 3.47Å; E568-R572 VanDerWaalsContact O-N 3.17Å; E568-R572 PolarHBondContact O-NH1 3.1Å
569	A	94.3	Very high	89	Confident	1 Å²	1	68.2 Å²	68.2	1%	0.008	34%	0.336	C	S	.	.	H	α-helix	trans	-67.1	-37	176.7	0	0	0	0	0	112.5	L326 F330 I565 C566 A571 R572 S573	L326-A569 HydrophobicContact CB-CB 3.45Å; L326-A569 VanDerWaalsContact CB-CB 3.45Å; L326-A569 HydrophobicContact CD1-CB 4.1Å; L326-A569 HydrophobicContact CG-CB 4.42Å; F330-A569 HydrophobicContact CD2-CB 4.2Å; F330-A569 HydrophobicContact CE2-CB 3.95Å; I565-A569 WeakPolarHBondContact O-CB 3.31Å; I565-A569 PolarHBondContact O-N 3.01Å; I565-A569 VanDerWaalsContact O-N 3.08Å; C566-A569 PolarHBondContact O-N 2.87Å; A569-A571 VanDerWaalsContact C-N 3.35Å; A569-R572 PolarHBondContact O-N 3.24Å; A569-S573 WeakPolarHBondContact O-CB 3.45Å; A569-S573 PolarHBondContact O-N 2.91Å
570	F	94.1	Very high	87.6	Confident	37 Å²	37	69.8 Å²	69.8	16%	0.162	34%	0.343	C	S	.	.	H	α-helix	trans	-63.7	-40.2	174.2	174.6	-109.3	0	0	0	112	F267 K271 W272 F330 C566 E567 S573	F267-F570 HydrophobicContact CE1-CB 4.11Å; F267-F570 HydrophobicContact CZ-CB 3.69Å; F267-F570 HydrophobicContact CZ-CG 4.16Å; K271-F570 HydrophobicContact CD-CD1 4.4Å; K271-F570 HydrophobicContact CD-CE1 4.12Å; K271-F570 HydrophobicContact CD-CE2 4.49Å; K271-F570 HydrophobicContact CD-CZ 4.17Å; W272-F570 AromaticContact CH2-CD2 3.7Å; W272-F570 HydrophobicContact CH2-CD2 3.7Å; W272-F570 AromaticContact CH2-CE2 3.91Å; W272-F570 HydrophobicContact CH2-CE2 3.91Å; W272-F570 AromaticContact CZ2-CD2 3.83Å; W272-F570 HydrophobicContact CZ2-CD2 3.83Å; W272-F570 AromaticContact CZ2-CE2 3.57Å; W272-F570 HydrophobicContact CZ2-CE2 3.57Å; F330-F570 HydrophobicContact CD2-CB 4.06Å; F330-F570 HydrophobicContact CE2-CB 4.32Å; C566-F570 WeakPolarHBondContact O-CB 3.33Å; C566-F570 PolarHBondContact O-N 2.97Å; E567-F570 PolarHBondContact O-N 3.24Å; F570-S573 PolarHBondContact O-N 2.82Å; F570-S573 PolarHBondContact O-OG 3.3Å
571	A	93.8	Very high	85.9	Confident	56 Å²	56	67.3 Å²	67.3	46%	0.463	32%	0.321	S	S	.	.	H	α-helix	trans	-59.1	-48	173.8	0	0	0	0	0	111.4	E567 E568 A569 S573 K574	E567-A571 PolarHBondContact O-N 3.26Å; E568-A571 PolarHBondContact O-N 2.63Å; A569-A571 VanDerWaalsContact C-N 3.35Å; A571-S573 VanDerWaalsContact C-N 3.34Å; A571-S573 PolarHBondContact O-N 3.22Å; A571-K574 PolarHBondContact O-N 3.41Å
572	R	91.4	Very high	84.3	Confident	108 Å²	108	65.9 Å²	65.9	41%	0.408	32%	0.315	S	S	.	.	H	α-helix	trans	-63.9	-34.9	177.3	-67.5	-167.1	-59.4	-83.8	1.2	113.5	E327 E568 A569 K574 D575	E327-R572 HydrophobicContact CB-CB 4.31Å; E327-R572 IonicContact OE1-CZ 3.57Å; E327-R572 VanDerWaalsContact OE1-CZ 3.29Å; E327-R572 IonicContact OE1-NE 3.89Å; E327-R572 PolarHBondContact OE1-NE 2.84Å; E327-R572 IonicContact OE1-NH2 2.93Å; E327-R572 PolarHBondContact OE1-NH2 3.19Å; E327-R572 IonicContact OE2-NH2 2.75Å; E327-R572 PolarHBondContact OE2-NH2 3.37Å; E568-R572 PolarHBondContact O-N 3.47Å; E568-R572 VanDerWaalsContact O-N 3.17Å; E568-R572 PolarHBondContact O-NH1 3.1Å; A569-R572 PolarHBondContact O-N 3.24Å; R572-K574 PolarHBondContact O-N 3Å; R572-K574 VanDerWaalsContact O-N 3.07Å; R572-D575 PolarHBondContact O-N 3.5Å
573	S	88.8	Confident	82.9	Confident	8 Å²	8	69.3 Å²	69.3	6%	0.056	33%	0.331	C	S	.	.	H	α-helix	trans	-61	-20.3	-178.6	73.1	0	0	0	0	114.3	E327 A569 F570 A571 D575 E576	E327-S573 WeakPolarHBondContact O-CB 3.3Å; A569-S573 WeakPolarHBondContact O-CB 3.45Å; A569-S573 PolarHBondContact O-N 2.91Å; F570-S573 PolarHBondContact O-N 2.82Å; F570-S573 PolarHBondContact O-OG 3.3Å; A571-S573 VanDerWaalsContact C-N 3.34Å; A571-S573 PolarHBondContact O-N 3.22Å; S573-D575 VanDerWaalsContact C-N 3.31Å; S573-E576 PolarHBondContact O-N 3.01Å
574	K	86.6	Confident	81.7	Confident	130 Å²	130	67.6 Å²	67.6	57%	0.565	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-19.4	178.1	-63.2	178.9	-178.1	179.4	0	113.4	A571 R572	A571-K574 PolarHBondContact O-N 3.41Å; R572-K574 PolarHBondContact O-N 3Å; R572-K574 VanDerWaalsContact O-N 3.07Å
575	D	84.5	Confident	80.8	Confident	133 Å²	133	63.4 Å²	63.4	71%	0.711	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-19.6	177.6	-60.9	-36.5	0	0	0	111.3	R572 S573 K577	R572-D575 PolarHBondContact O-N 3.5Å; S573-D575 VanDerWaalsContact C-N 3.31Å; D575-K577 PolarHBondContact O-N 2.85Å
576	E	74.3	Confident	79.7	Confident	94 Å²	94	60.5 Å²	60.5	44%	0.439	29%	0.29	S	S	.	.			trans	-77.3	102.6	174.8	-68.1	-66.4	171.1	0	0	110.8	C331 S573	C331-E576 HydrophobicContact CB-CB 4.02Å; S573-E576 PolarHBondContact O-N 3.01Å
577	K	65.9	Low	78.9	Confident	161 Å²	161	61.2 Å²	61.2	70%	0.7	30%	0.295	S	S	*	.			trans	-100.1	-13.5	-179.3	-63.1	-176.2	-177.7	178.9	0	114	E338 D575	E338-K577 PolarHBondContact N-O 2.77Å; D575-K577 PolarHBondContact O-N 2.85Å
578	I	61.3	Low	77.7	Confident	84 Å²	84	60.3 Å²	60.3	43%	0.431	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	127.8	-170.4	-65.5	179.2	0	0	0	109.1	A340	A340-I578 HydrophobicContact CB-CG2 3.12Å
579	L	66.8	Low	77.3	Confident	26 Å²	26	56.8 Å²	56.8	14%	0.136	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	123.6	173.3	-172.7	63	0	0	0	111.4	Q332 L337 E338 A340	Q332-L579 VanDerWaalsContact NE2-CD2 3.25Å; L337-L579 HydrophobicContact CD1-CB 4.48Å; L337-L579 HydrophobicContact CD2-CB 4.01Å; L337-L579 HydrophobicContact CD2-CD2 4.38Å; L337-L579 HydrophobicContact CG-CB 4.22Å; E338-L579 PolarHBondContact O-N 3.13Å; A340-L579 PolarHBondContact N-O 3.31Å; A340-L579 VanDerWaalsContact N-O 3.11Å
580	H	67.1	Low	76.7	Confident	63 Å²	63	62.7 Å²	62.7	29%	0.292	32%	0.316	S	S	.	.			trans	-92.2	111.2	164.6	-65.3	-70.5	0	0	0	110.2	D341 K582 H583	D341-H580 IonicContact OD1-ND1 3.45Å; D341-H580 PolarHBondContact OD1-ND1 3.05Å; D341-H580 VanDerWaalsContact OD2-C 3.22Å; D341-H580 VanDerWaalsContact OD2-CA 3.24Å; D341-H580 WeakPolarHBondContact OD2-CA 3.17Å; H580-K582 HydrophobicContact CB-CD 4.4Å; H580-K582 HydrophobicContact CB-CG 4.02Å; H580-K582 PolarHBondContact O-N 2.64Å; H580-H583 WeakPolarHBondContact O-CB 3.26Å; H580-H583 PolarHBondContact O-N 2.92Å
581	I	61.9	Low	76.3	Confident	8 Å²	8	63.6 Å²	63.6	4%	0.041	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-62.4	-25.4	178.7	-53.7	170.6	0	0	0	110.7	D341 H583 W584 V770	D341-I581 HydrophobicContact CB-CB 4Å; D341-I581 HydrophobicContact CB-CD1 4.01Å; D341-I581 HydrophobicContact CB-CG1 3.98Å; D341-I581 PolarHBondContact OD2-N 3.06Å; I581-H583 PolarHBondContact O-N 3.17Å; I581-H583 VanDerWaalsContact O-N 3.08Å; I581-W584 WeakPolarHBondContact O-CB 3.11Å; I581-W584 PolarHBondContact O-N 3.22Å; I581-V770 HydrophobicContact CB-CG2 3.79Å; I581-V770 HydrophobicContact CD1-CG2 4.09Å; I581-V770 HydrophobicContact CG2-CB 3.91Å; I581-V770 HydrophobicContact CG2-CG2 3.3Å
582	K	62.8	Low	76.1	Confident	77 Å²	77	62.5 Å²	62.5	34%	0.335	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-56.9	-23.2	171.9	76.4	-164.6	173.5	-178.5	0	114.4	D341 H580 W584 L585	D341-K582 PolarHBondContact OD2-N 2.85Å; D341-K582 VanDerWaalsContact OD2-N 3.12Å; H580-K582 HydrophobicContact CB-CD 4.4Å; H580-K582 HydrophobicContact CB-CG 4.02Å; H580-K582 PolarHBondContact O-N 2.64Å; K582-W584 PolarHBondContact O-N 2.66Å; K582-L585 HydrophobicContact CB-CD1 4.16Å; K582-L585 WeakPolarHBondContact O-CG 3.43Å; K582-L585 PolarHBondContact O-N 3.43Å
583	H	67.6	Low	75.8	Confident	75 Å²	75	59.5 Å²	59.5	35%	0.347	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-71.4	-2.4	174.5	-62.2	169.4	0	0	0	113.8	K324 H580 I581	K324-H583 PolarHBondContact NZ-O 3.44Å; K324-H583 VanDerWaalsContact NZ-O 3.08Å; H580-H583 WeakPolarHBondContact O-CB 3.26Å; H580-H583 PolarHBondContact O-N 2.92Å; I581-H583 PolarHBondContact O-N 3.17Å; I581-H583 VanDerWaalsContact O-N 3.08Å
584	W	71	Confident	75.6	Confident	7 Å²	7	61.8 Å²	61.8	3%	0.027	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-117	18.9	-179.2	-55.1	89.3	0	0	0	111.7	L318 K324 Q332 L351 G352 I581 K582 D586 R771	L318-W584 HydrophobicContact CD1-CZ3 4.35Å; K324-W584 HydrophobicContact CD-CE3 4.19Å; K324-W584 HydrophobicContact CD-CH2 3.63Å; K324-W584 HydrophobicContact CD-CZ2 4.35Å; K324-W584 HydrophobicContact CD-CZ3 3.52Å; K324-W584 VanDerWaalsContact NZ-CH2 3.32Å; K324-W584 VanDerWaalsContact NZ-CZ2 3.29Å; Q332-W584 HydrophobicContact CG-CH2 4.37Å; Q332-W584 HydrophobicContact CG-CZ2 4.05Å; L351-W584 HydrophobicContact CB-CB 4.21Å; L351-W584 HydrophobicContact CB-CD2 3.77Å; L351-W584 HydrophobicContact CB-CE3 3.29Å; L351-W584 HydrophobicContact CB-CG 4.18Å; L351-W584 HydrophobicContact CB-CZ3 3.86Å; L351-W584 HydrophobicContact CD1-CD2 3.5Å; L351-W584 HydrophobicContact CD1-CE3 3.7Å; L351-W584 HydrophobicContact CD1-CG 3.97Å; L351-W584 HydrophobicContact CD1-CH2 4.11Å; L351-W584 HydrophobicContact CD1-CZ2 3.99Å; L351-W584 HydrophobicContact CD1-CZ3 3.99Å; L351-W584 HydrophobicContact CG-CD2 4.23Å; L351-W584 HydrophobicContact CG-CE3 4.14Å; G352-W584 CarbonylContact C-O 3.45Å; G352-W584 CarbonylContact O-C 3.16Å; G352-W584 VanDerWaalsContact O-CA 3.31Å; G352-W584 WeakPolarHBondContact O-CA 3.35Å; I581-W584 WeakPolarHBondContact O-CB 3.11Å; I581-W584 PolarHBondContact O-N 3.22Å; K582-W584 PolarHBondContact O-N 2.66Å; W584-D586 PolarHBondContact O-N 2.96Å; W584-R771 PolarHBondContact O-NH2 2.88Å
585	L	78.8	Confident	74.9	Confident	41 Å²	41	63.8 Å²	63.8	22%	0.215	34%	0.341	C	S	.	.			trans	-76.3	123.3	175.2	-62.4	173.2	0	0	0	110.6	Y354 K582 V770 R771	Y354-L585 WeakPolarHBondContact CB-O 3.37Å; Y354-L585 PolarHBondContact N-O 3.47Å; K582-L585 HydrophobicContact CB-CD1 4.16Å; K582-L585 WeakPolarHBondContact O-CG 3.43Å; K582-L585 PolarHBondContact O-N 3.43Å; L585-V770 HydrophobicContact CD2-CB 4.46Å; L585-V770 WeakPolarHBondContact CD2-O 3.18Å; L585-R771 VanDerWaalsContact CA-NH2 3.32Å; L585-R771 VanDerWaalsContact CB-NH1 3.34Å
586	D	74	Confident	74.3	Confident	1 Å²	1	63.3 Å²	63.3	1%	0.005	34%	0.339	C	S	.	.	S	Bend	trans	-89.7	-18.2	173.7	67	40.8	0	0	0	111.1	S369 L370 A372 K387 W584 M734 R771	S369-D586 PolarHBondContact OG-O 3.24Å; L370-D586 VanDerWaalsContact O-CB 3.27Å; L370-D586 WeakPolarHBondContact O-CB 3.25Å; A372-D586 PolarHBondContact N-OD2 3.3Å; A372-D586 VanDerWaalsContact N-OD2 3.14Å; K387-D586 PolarHBondContact NZ-O 2.91Å; K387-D586 IonicContact NZ-OD1 3.92Å; K387-D586 PolarHBondContact NZ-OD1 3.08Å; W584-D586 PolarHBondContact O-N 2.96Å; D586-M734 VanDerWaalsContact OD1-CE 3.24Å; D586-M734 WeakPolarHBondContact OD1-CE 3.32Å; D586-R771 IonicContact OD1-CZ 2.6Å; D586-R771 IonicContact OD1-NE 3.07Å; D586-R771 PolarHBondContact OD1-NE 2.98Å; D586-R771 IonicContact OD1-NH1 3.76Å; D586-R771 IonicContact OD1-NH2 3.42Å; D586-R771 IonicContact OD2-CZ 3.52Å; D586-R771 IonicContact OD2-NE 3.4Å; D586-R771 PolarHBondContact OD2-NE 3.27Å; D586-R771 IonicContact OD2-NH2 2.7Å; D586-R771 PolarHBondContact OD2-NH2 3.46Å
587	S	79	Confident	74.3	Confident	15 Å²	15	60.6 Å²	60.6	11%	0.105	34%	0.335	C	S	.	.	S	Bend	trans	-136.1	91.2	174.5	-72.2	0	0	0	0	110.2	K387 W589 M734	K387-S587 VanDerWaalsContact CE-OG 3.24Å; K387-S587 WeakPolarHBondContact CE-OG 3.37Å; K387-S587 PolarHBondContact NZ-OG 3.14Å; S587-W589 PolarHBondContact O-N 3.32Å; S587-M734 VanDerWaalsContact CB-O 3.25Å; S587-M734 WeakPolarHBondContact CB-O 3.35Å; S587-M734 PolarHBondContact OG-O 3.18Å; S587-M734 VanDerWaalsContact OG-O 3.11Å
588	P	72.6	Confident	75	Confident	52 Å²	52	56.7 Å²	56.7	34%	0.338	32%	0.32	S	S	.	.			trans	-84.6	9.3	-168.8	30.2	-34.4	0	0	0	116.8	Y354	Y354-P588 HydrophobicContact CD1-CG 3.85Å; Y354-P588 HydrophobicContact CD2-CG 4.41Å; Y354-P588 HydrophobicContact CE1-CG 4.13Å; Y354-P588 HydrophobicContact CG-CG 4.01Å
589	W	87.3	Confident	76.2	Confident	16 Å²	16	53.4 Å²	53.4	6%	0.061	30%	0.304	C	S	.	.			trans	25.9	68.6	-179.6	-64.8	-11.8	0	0	0	115.8	S587 G591 F592 F593 M734 A735 P737 Q772 R850	S587-W589 PolarHBondContact O-N 3.32Å; W589-G591 PolarHBondContact O-N 3.47Å; W589-F592 HydrophobicContact CB-CB 4.05Å; W589-F592 AromaticContact CE3-CD1 3.9Å; W589-F592 HydrophobicContact CE3-CD1 3.9Å; W589-F592 HydrophobicContact CE3-CE1 4.22Å; W589-F592 HydrophobicContact CZ3-CD1 4.47Å; W589-F592 HydrophobicContact CZ3-CE1 4.35Å; W589-F592 WeakPolarHBondContact O-CB 3.4Å; W589-F592 PolarHBondContact O-N 2.96Å; W589-F592 VanDerWaalsContact O-N 3.14Å; W589-F593 AromaticContact CE3-CE2 3.81Å; W589-F593 HydrophobicContact CE3-CE2 3.81Å; W589-F593 AromaticContact CE3-CZ 3.98Å; W589-F593 HydrophobicContact CE3-CZ 3.98Å; W589-F593 HydrophobicContact CZ3-CE2 4.5Å; W589-F593 HydrophobicContact CZ3-CZ 4.27Å; W589-M734 PolarHBondContact NE1-O 3.44Å; W589-A735 PolarHBondContact NE1-O 3.25Å; W589-P737 HydrophobicContact CB-CG 4.12Å; W589-P737 HydrophobicContact CD2-CB 3.69Å; W589-P737 HydrophobicContact CD2-CG 3.88Å; W589-P737 HydrophobicContact CE3-CB 3.6Å; W589-P737 HydrophobicContact CE3-CG 4.18Å; W589-P737 HydrophobicContact CG-CB 4.24Å; W589-P737 HydrophobicContact CG-CG 3.87Å; W589-P737 HydrophobicContact CH2-CB 4.25Å; W589-P737 HydrophobicContact CZ2-CB 4.33Å; W589-P737 HydrophobicContact CZ3-CB 3.89Å; W589-Q772 HydrophobicContact CH2-CB 4.15Å; W589-Q772 WeakPolarHBondContact CH2-O 3.44Å; W589-Q772 HydrophobicContact CZ3-CB 3.84Å; W589-R850 HydrophobicContact CH2-CB 3.79Å; W589-R850 HydrophobicContact CH2-CG 3.67Å; W589-R850 HydrophobicContact CZ3-CB 3.91Å; W589-R850 HydrophobicContact CZ3-CG 3.68Å
590	P	82.1	Confident	77.1	Confident	124 Å²	124	59 Å²	59	81%	0.805	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	129.8	-172.8	-25.4	34.6	0	0	0	112.6	F592	P590-F592 VanDerWaalsContact C-N 3.25Å; P590-F592 PolarHBondContact O-N 3.13Å
591	G	84.8	Confident	78.2	Confident	57 Å²	57	58.4 Å²	58.4	59%	0.588	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.3	2	176.7	0	0	0	0	0	115.3	W589 K600	W589-G591 PolarHBondContact O-N 3.47Å; G591-K600 WeakPolarHBondContact O-CE 3.21Å; G591-K600 PolarHBondContact O-NZ 2.95Å
592	F	89.2	Confident	79.5	Confident	33 Å²	33	60.7 Å²	60.7	15%	0.145	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-44.4	173.9	-171.2	-108.7	0	0	0	111.9	W589 P590 K600 P737	W589-F592 HydrophobicContact CB-CB 4.05Å; W589-F592 AromaticContact CE3-CD1 3.9Å; W589-F592 HydrophobicContact CE3-CD1 3.9Å; W589-F592 HydrophobicContact CE3-CE1 4.22Å; W589-F592 HydrophobicContact CZ3-CD1 4.47Å; W589-F592 HydrophobicContact CZ3-CE1 4.35Å; W589-F592 WeakPolarHBondContact O-CB 3.4Å; W589-F592 PolarHBondContact O-N 2.96Å; W589-F592 VanDerWaalsContact O-N 3.14Å; P590-F592 VanDerWaalsContact C-N 3.25Å; P590-F592 PolarHBondContact O-N 3.13Å; F592-K600 WeakPolarHBondContact O-CE 3.42Å; F592-P737 HydrophobicContact CB-CG 4.11Å; F592-P737 HydrophobicContact CD1-CB 4.05Å; F592-P737 HydrophobicContact CD1-CG 4.41Å; F592-P737 HydrophobicContact CD2-CB 3.76Å; F592-P737 HydrophobicContact CD2-CG 3.75Å; F592-P737 HydrophobicContact CE1-CB 4.07Å; F592-P737 HydrophobicContact CE2-CB 3.8Å; F592-P737 HydrophobicContact CE2-CG 4.28Å; F592-P737 HydrophobicContact CG-CB 3.89Å; F592-P737 HydrophobicContact CG-CG 3.84Å; F592-P737 HydrophobicContact CZ-CB 3.97Å
593	F	86.1	Confident	80.9	Confident	44 Å²	44	60.2 Å²	60.2	19%	0.193	35%	0.348	C	S	.	.	S	Bend	trans	-95.2	171.4	176	-58.4	-66	0	0	0	112.9	W589 Q598 Q772	W589-F593 AromaticContact CE3-CE2 3.81Å; W589-F593 HydrophobicContact CE3-CE2 3.81Å; W589-F593 AromaticContact CE3-CZ 3.98Å; W589-F593 HydrophobicContact CE3-CZ 3.98Å; W589-F593 HydrophobicContact CZ3-CE2 4.5Å; W589-F593 HydrophobicContact CZ3-CZ 4.27Å; F593-Q598 CarbonylContact C-O 3.52Å; F593-Q598 WeakPolarHBondContact CA-O 3.48Å; F593-Q598 WeakPolarHBondContact CB-O 3.28Å; F593-Q772 HydrophobicContact CZ-CG 4.42Å; F593-Q772 VanDerWaalsContact CZ-OE1 3.28Å
594	T	83.3	Confident	82	Confident	57 Å²	57	58.2 Å²	58.2	35%	0.35	34%	0.342	S	S	.	.			trans	-68.5	170.8	164.2	67.7	0	0	0	0	110.9	D596 G597 Q598 K600	T594-D596 PolarHBondContact O-N 3.03Å; T594-D596 PolarHBondContact OG1-N 3.09Å; T594-G597 PolarHBondContact O-N 3.26Å; T594-Q598 PolarHBondContact N-O 2.84Å; T594-Q598 PolarHBondContact OG1-N 2.9Å; T594-Q598 VanDerWaalsContact OG1-N 3.15Å; T594-Q598 PolarHBondContact OG1-O 2.73Å; T594-K600 HydrophobicContact CG2-CG 4.27Å
595	L	73.6	Confident	83.2	Confident	171 Å²	171	61.1 Å²	61.1	90%	0.895	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-26.2	176.6	-68.3	173.4	0	0	0	113	G597	L595-G597 VanDerWaalsContact C-N 3.29Å
596	D	71.5	Confident	84	Confident	124 Å²	124	61 Å²	61	66%	0.663	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	5.3	177.5	-56.1	-45.5	0	0	0	112.9	T594	T594-D596 PolarHBondContact O-N 3.03Å; T594-D596 PolarHBondContact OG1-N 3.09Å
597	G	73.4	Confident	85.1	Confident	36 Å²	36	61 Å²	61	37%	0.371	36%	0.364	S	S	.	.	S	Bend	trans	79.5	13.6	178.1	0	0	0	0	0	114.7	T594 L595	T594-G597 PolarHBondContact O-N 3.26Å; L595-G597 VanDerWaalsContact C-N 3.29Å
598	Q	82.1	Confident	86.1	Confident	80 Å²	80	60.7 Å²	60.7	37%	0.374	36%	0.363	S	S	.	.			trans	-93.5	156.5	-178.5	-64	-62.9	-41.3	0	0	112.1	F593 T594 Y822	F593-Q598 CarbonylContact C-O 3.52Å; F593-Q598 WeakPolarHBondContact CA-O 3.48Å; F593-Q598 WeakPolarHBondContact CB-O 3.28Å; T594-Q598 PolarHBondContact N-O 2.84Å; T594-Q598 PolarHBondContact OG1-N 2.9Å; T594-Q598 VanDerWaalsContact OG1-N 3.15Å; T594-Q598 PolarHBondContact OG1-O 2.73Å; Q598-Y822 PolarHBondContact OE1-OH 2.57Å
599	P	85.6	Confident	87.3	Confident	15 Å²	15	58.6 Å²	58.6	10%	0.097	35%	0.349	C	S	.	.			trans	-57.3	143.9	169.4	-21.9	33.3	0	0	0	111.3	S601 M602 Y822 P848 F849	P599-S601 VanDerWaalsContact C-N 3.25Å; P599-S601 WeakPolarHBondContact CB-O 3.27Å; P599-S601 PolarHBondContact O-N 2.91Å; P599-M602 HydrophobicContact CB-SD 4.43Å; P599-M602 HydrophobicContact CG-SD 4.37Å; P599-Y822 HydrophobicContact CG-CD2 3.78Å; P599-Y822 HydrophobicContact CG-CE2 3.33Å; P599-P848 HydrophobicContact CB-CB 4.27Å; P599-P848 HydrophobicContact CB-CG 4.45Å; P599-F849 HydrophobicContact CG-CB 4.45Å; P599-F849 HydrophobicContact CG-CD1 4.28Å
600	K	86.5	Confident	87.8	Confident	142 Å²	142	59.9 Å²	59.9	62%	0.617	36%	0.36	S	S	*	.	S	Bend	trans	-71.8	-20.4	178.2	-65.6	-178.5	-177.2	177	0	113.5	G591 F592 T594	G591-K600 WeakPolarHBondContact O-CE 3.21Å; G591-K600 PolarHBondContact O-NZ 2.95Å; F592-K600 WeakPolarHBondContact O-CE 3.42Å; T594-K600 HydrophobicContact CG2-CG 4.27Å
601	S	89.1	Confident	88.6	Confident	51 Å²	51	57 Å²	57	36%	0.357	34%	0.336	S	S	.	.			trans	-150.7	162.1	176.5	66.8	0	0	0	0	110.1	P599 P848	P599-S601 VanDerWaalsContact C-N 3.25Å; P599-S601 WeakPolarHBondContact CB-O 3.27Å; P599-S601 PolarHBondContact O-N 2.91Å; S601-P848 WeakPolarHBondContact O-CG 3.36Å
602	M	89.9	Confident	89.2	Confident	56 Å²	56	60.4 Å²	60.4	28%	0.276	34%	0.337	S	S	.	.	S	Bend	trans	-114.6	43.3	173.6	-71	-59.5	-59.5	0	0	111	P599 V818 R819 Y822	P599-M602 HydrophobicContact CB-SD 4.43Å; P599-M602 HydrophobicContact CG-SD 4.37Å; M602-V818 HydrophobicContact CE-CG1 4.19Å; M602-R819 HydrophobicContact CE-CB 4.23Å; M602-Y822 HydrophobicContact CE-CG 4.39Å
603	S	90.8	Very high	89.6	Confident	68 Å²	68	60.9 Å²	60.9	48%	0.476	34%	0.341	S	S	.	.			trans	-134.3	143.5	-178.2	62.3	0	0	0	0	110.8
604	C	92.4	Very high	90.2	Very high	32 Å²	32	58.8 Å²	58.8	22%	0.216	33%	0.332	C	S	.	.			trans	-107.7	123.1	169.4	-176.3	0	0	0	0	109.1	V818 L847	C604-V818 HydrophobicContact CB-CG2 4.14Å; C604-L847 HydrophobicContact CB-CD2 4.21Å
605	P	94.3	Very high	90.9	Very high	68 Å²	68	58.3 Å²	58.3	44%	0.442	33%	0.327	S	S	.	.			trans	-68.8	172.3	176.3	30.2	-34.7	0	0	0	111.9	T607 L846	P605-T607 PolarHBondContact O-N 2.71Å; P605-L846 WeakPolarHBondContact CD-O 3.24Å; P605-L846 HydrophobicContact CG-CB 4Å; P605-L846 HydrophobicContact CG-CD1 4.38Å; P605-L846 HydrophobicContact CG-CD2 4.28Å; P605-L846 HydrophobicContact CG-CG 4.45Å
606	S	96.6	Very high	92.1	Very high	38 Å²	38	53.8 Å²	53.8	27%	0.266	30%	0.302	S	S	.	.			trans	-53.1	129.3	170.5	163.6	0	0	0	0	111	G608 G877 T878 H879	S606-G608 PolarHBondContact OG-N 3.33Å; S606-G877 PolarHBondContact OG-N 2.97Å; S606-T878 PolarHBondContact OG-O 3.31Å; S606-H879 WeakPolarHBondContact CA-CE1 3.44Å; S606-H879 PolarHBondContact N-CE1 3.39Å
607	T	98.1	Very high	93.3	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.012	27%	0.27	C	S	.	.			trans	-88.6	-10.6	174.6	44.3	0	0	0	0	112.4	P605 H839 R842 R843 L846 T878 H879	P605-T607 PolarHBondContact O-N 2.71Å; T607-H839 WeakPolarHBondContact CB-ND1 3.41Å; T607-H839 PolarHBondContact OG1-ND1 3.02Å; T607-R842 HydrophobicContact CG2-CB 4.23Å; T607-R842 WeakPolarHBondContact O-CD 3.49Å; T607-R842 PolarHBondContact O-NE 3.32Å; T607-R843 HydrophobicContact CG2-CB 3.97Å; T607-L846 HydrophobicContact CG2-CD1 3.9Å; T607-T878 PolarHBondContact N-O 3.12Å; T607-T878 PolarHBondContact OG1-O 2.96Å; T607-H879 WeakPolarHBondContact OG1-CA 3.38Å
608	G	98.3	Very high	94.5	Very high	9 Å²	9	46.2 Å²	46.2	9%	0.093	25%	0.252	C	S	.	.			trans	-67.9	157	174	0	0	0	0	0	114	S606 M874 L875 T878	S606-G608 PolarHBondContact OG-N 3.33Å; G608-M874 CarbonylContact C-O 3.57Å; G608-M874 WeakPolarHBondContact CA-O 3.36Å; G608-L875 WeakPolarHBondContact CA-O 3.33Å; G608-T878 PolarHBondContact N-O 3.34Å
609	I	98.5	Very high	95.2	Very high	8 Å²	8	47.3 Å²	47.3	4%	0.041	26%	0.26	C	S	.	.			trans	-127.1	162.9	-179.7	68.8	178.9	0	0	0	111.2	N613 L614 I617 F838 M874 L875 P876	I609-N613 HydrophobicContact CD1-CB 4.04Å; I609-N613 HydrophobicContact CG1-CB 4.4Å; I609-L614 HydrophobicContact CD1-CD2 3.62Å; I609-L614 HydrophobicContact CD1-CG 3.97Å; I609-L614 HydrophobicContact CG1-CD2 3.75Å; I609-L614 HydrophobicContact CG1-CG 3.78Å; I609-I617 HydrophobicContact CD1-CD1 4.35Å; I609-F838 HydrophobicContact CD1-CE2 4.14Å; I609-F838 HydrophobicContact CD1-CZ 3.95Å; I609-F838 HydrophobicContact CG1-CZ 3.94Å; I609-F838 HydrophobicContact CG2-CZ 4.11Å; I609-M874 PolarHBondContact N-O 3.38Å; I609-L875 WeakPolarHBondContact O-CA 3.09Å; I609-P876 VanDerWaalsContact O-CD 3.28Å; I609-P876 WeakPolarHBondContact O-CD 3.37Å
610	S	98.3	Very high	95.8	Very high	42 Å²	42	47.7 Å²	47.7	29%	0.294	26%	0.262	S	S	.	.			trans	-60.8	148.5	178.4	67.2	0	0	0	0	112.2	E612 N613 L614	S610-E612 PolarHBondContact O-N 3.26Å; S610-N613 WeakPolarHBondContact O-CB 3.41Å; S610-N613 PolarHBondContact O-N 3.33Å; S610-N613 WeakPolarHBondContact OG-CB 3.37Å; S610-N613 PolarHBondContact OG-N 3.44Å; S610-N613 PolarHBondContact OG-ND2 2.86Å; S610-L614 PolarHBondContact O-N 3.32Å; S610-L614 VanDerWaalsContact O-N 3.11Å
611	E	98.1	Very high	96.3	Very high	64 Å²	64	41 Å²	41	30%	0.299	23%	0.234	S	C	.	.	H	α-helix	trans	-60.3	-34.6	175.9	-179.5	165	176.6	0	0	112.3	N613 L614 N615 R649 L875	E611-N613 VanDerWaalsContact C-N 3.32Å; E611-N613 PolarHBondContact O-N 2.81Å; E611-L614 PolarHBondContact O-N 2.91Å; E611-N615 VanDerWaalsContact CG-ND2 3.34Å; E611-N615 WeakPolarHBondContact CG-ND2 3.39Å; E611-N615 PolarHBondContact O-N 2.81Å; E611-N615 PolarHBondContact O-ND2 3.37Å; E611-R649 IonicContact OE1-CZ 3.71Å; E611-R649 IonicContact OE1-NH1 3.44Å; E611-R649 PolarHBondContact OE1-NH1 3.31Å; E611-R649 IonicContact OE2-CZ 2.76Å; E611-R649 IonicContact OE2-NH1 3.16Å; E611-R649 PolarHBondContact OE2-NH1 2.9Å; E611-R649 IonicContact OE2-NH2 3.85Å; E611-R649 PolarHBondContact OE2-NH2 3.37Å; E611-L875 HydrophobicContact CB-CD2 3.77Å
612	E	97.9	Very high	96.7	Very high	129 Å²	129	40 Å²	40	60%	0.603	23%	0.226	S	C	*	.	H	α-helix	trans	-57.7	-45.2	173.5	-175.8	-176.6	175	0	0	111.3	S610 N615 Q616	S610-E612 PolarHBondContact O-N 3.26Å; E612-N615 PolarHBondContact O-N 3.25Å; E612-Q616 HydrophobicContact CG-CG 4.45Å; E612-Q616 WeakPolarHBondContact O-CB 3.28Å; E612-Q616 WeakPolarHBondContact O-CG 3.25Å; E612-Q616 PolarHBondContact O-N 3.32Å; E612-Q616 PolarHBondContact OE1-NE2 3.48Å; E612-Q616 VanDerWaalsContact OE1-NE2 3.08Å
613	N	97.7	Very high	97	Very high	43 Å²	43	39.2 Å²	39.2	23%	0.23	23%	0.227	C	C	.	.	H	α-helix	trans	-65.7	-41.8	177.6	-82.4	-30.3	0	0	0	112	I609 S610 E611 N615 Q616 I617 K666	I609-N613 HydrophobicContact CD1-CB 4.04Å; I609-N613 HydrophobicContact CG1-CB 4.4Å; S610-N613 WeakPolarHBondContact O-CB 3.41Å; S610-N613 PolarHBondContact O-N 3.33Å; S610-N613 WeakPolarHBondContact OG-CB 3.37Å; S610-N613 PolarHBondContact OG-N 3.44Å; S610-N613 PolarHBondContact OG-ND2 2.86Å; E611-N613 VanDerWaalsContact C-N 3.32Å; E611-N613 PolarHBondContact O-N 2.81Å; N613-N615 VanDerWaalsContact C-N 3.32Å; N613-N615 PolarHBondContact O-N 3.4Å; N613-Q616 PolarHBondContact O-N 3.14Å; N613-I617 WeakPolarHBondContact O-CB 3.2Å; N613-I617 WeakPolarHBondContact O-CD1 3.39Å; N613-I617 VanDerWaalsContact O-CG1 3.25Å; N613-I617 WeakPolarHBondContact O-CG1 3.17Å; N613-I617 PolarHBondContact O-N 2.58Å; N613-K666 PolarHBondContact OD1-NZ 2.93Å
614	L	98.5	Very high	97.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-57.3	-47.7	174.5	-68	170.3	0	0	0	110.8	I609 S610 E611 G618 M659 F871 M874 L875	I609-L614 HydrophobicContact CD1-CD2 3.62Å; I609-L614 HydrophobicContact CD1-CG 3.97Å; I609-L614 HydrophobicContact CG1-CD2 3.75Å; I609-L614 HydrophobicContact CG1-CG 3.78Å; S610-L614 PolarHBondContact O-N 3.32Å; S610-L614 VanDerWaalsContact O-N 3.11Å; E611-L614 PolarHBondContact O-N 2.91Å; L614-G618 PolarHBondContact O-N 3.3Å; L614-M659 HydrophobicContact CB-CE 4.48Å; L614-M659 HydrophobicContact CB-SD 4.43Å; L614-M659 HydrophobicContact CD2-CB 4.22Å; L614-M659 HydrophobicContact CD2-CG 4.2Å; L614-M659 HydrophobicContact CD2-SD 3.53Å; L614-M659 VanDerWaalsContact CD2-SD 3.53Å; L614-M659 WeakPolarHBondContact O-CE 3.2Å; L614-F871 HydrophobicContact CB-CD2 3.88Å; L614-F871 HydrophobicContact CB-CE2 3.63Å; L614-F871 HydrophobicContact CB-CZ 4.18Å; L614-F871 HydrophobicContact CD1-CB 4.01Å; L614-F871 HydrophobicContact CD1-CD2 3.77Å; L614-F871 HydrophobicContact CD1-CE2 4.37Å; L614-F871 HydrophobicContact CD1-CG 3.87Å; L614-F871 HydrophobicContact CG-CD2 4.44Å; L614-M874 HydrophobicContact CD1-CB 4.24Å; L614-M874 HydrophobicContact CD2-CB 4.47Å; L614-M874 HydrophobicContact CD2-CE 3.54Å; L614-L875 HydrophobicContact CD1-CD2 4.02Å
615	N	98.3	Very high	97.4	Very high	47 Å²	47	38.9 Å²	38.9	25%	0.251	22%	0.222	S	C	.	.	H	α-helix	trans	-64	-48.8	178.6	-78.2	-62.3	0	0	0	112.3	E611 E612 N613 I617 G618 L619	E611-N615 VanDerWaalsContact CG-ND2 3.34Å; E611-N615 WeakPolarHBondContact CG-ND2 3.39Å; E611-N615 PolarHBondContact O-N 2.81Å; E611-N615 PolarHBondContact O-ND2 3.37Å; E612-N615 PolarHBondContact O-N 3.25Å; N613-N615 VanDerWaalsContact C-N 3.32Å; N613-N615 PolarHBondContact O-N 3.4Å; N615-I617 PolarHBondContact O-N 2.86Å; N615-G618 PolarHBondContact O-N 3.27Å; N615-L619 WeakPolarHBondContact O-CB 3.3Å; N615-L619 WeakPolarHBondContact O-CG 3.25Å; N615-L619 PolarHBondContact O-N 2.85Å
616	Q	97.4	Very high	97.3	Very high	76 Å²	76	38 Å²	38	36%	0.355	22%	0.215	S	C	.	.	H	α-helix	trans	-59.5	-48.8	179.8	-75.8	177	-4.8	0	0	112	E612 N613 L619 V620	E612-Q616 HydrophobicContact CG-CG 4.45Å; E612-Q616 WeakPolarHBondContact O-CB 3.28Å; E612-Q616 WeakPolarHBondContact O-CG 3.25Å; E612-Q616 PolarHBondContact O-N 3.32Å; E612-Q616 PolarHBondContact OE1-NE2 3.48Å; E612-Q616 VanDerWaalsContact OE1-NE2 3.08Å; N613-Q616 PolarHBondContact O-N 3.14Å; Q616-L619 PolarHBondContact O-N 3Å; Q616-V620 PolarHBondContact O-N 2.77Å
617	I	98.5	Very high	97.1	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-65.3	-43.2	179.2	-64.2	161.8	0	0	0	110.4	I609 N613 N615 L619 V620 A621 Y658 M659 K666 L706	I609-I617 HydrophobicContact CD1-CD1 4.35Å; N613-I617 WeakPolarHBondContact O-CB 3.2Å; N613-I617 WeakPolarHBondContact O-CD1 3.39Å; N613-I617 VanDerWaalsContact O-CG1 3.25Å; N613-I617 WeakPolarHBondContact O-CG1 3.17Å; N613-I617 PolarHBondContact O-N 2.58Å; N615-I617 PolarHBondContact O-N 2.86Å; I617-L619 VanDerWaalsContact C-N 3.33Å; I617-L619 PolarHBondContact O-N 3.45Å; I617-V620 PolarHBondContact O-N 2.66Å; I617-A621 WeakPolarHBondContact O-CB 3.34Å; I617-A621 PolarHBondContact O-N 2.99Å; I617-Y658 HydrophobicContact CG2-CD1 3.67Å; I617-Y658 HydrophobicContact CG2-CE1 3.98Å; I617-M659 HydrophobicContact CG2-CG 4.21Å; I617-K666 HydrophobicContact CD1-CD 4.3Å; I617-K666 HydrophobicContact CG1-CD 4.14Å; I617-L706 HydrophobicContact CB-CD2 4.49Å; I617-L706 HydrophobicContact CG1-CD2 4.41Å; I617-L706 HydrophobicContact CG2-CD2 4.19Å
618	G	98	Very high	96.9	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-62.2	-37.2	178	0	0	0	0	0	113.4	L614 N615 A621 S622	L614-G618 PolarHBondContact O-N 3.3Å; N615-G618 PolarHBondContact O-N 3.27Å; G618-A621 WeakPolarHBondContact O-CB 3.3Å; G618-A621 PolarHBondContact O-N 3Å; G618-S622 WeakPolarHBondContact O-CB 3.37Å; G618-S622 PolarHBondContact O-N 2.83Å; G618-S622 VanDerWaalsContact O-N 3.16Å; G618-S622 PolarHBondContact O-OG 2.95Å
619	L	96.9	Very high	96.8	Very high	103 Å²	103	51.5 Å²	51.5	54%	0.539	28%	0.275	S	S	.	.	H	α-helix	trans	-62.1	-46.6	174.5	-75.4	168.9	0	0	0	111.1	N615 Q616 I617 S622 S623	N615-L619 WeakPolarHBondContact O-CB 3.3Å; N615-L619 WeakPolarHBondContact O-CG 3.25Å; N615-L619 PolarHBondContact O-N 2.85Å; Q616-L619 PolarHBondContact O-N 3Å; I617-L619 VanDerWaalsContact C-N 3.33Å; I617-L619 PolarHBondContact O-N 3.45Å; L619-S622 CarbonylContact O-C 3.51Å; L619-S622 PolarHBondContact O-N 3.19Å; L619-S622 VanDerWaalsContact O-N 3.14Å; L619-S622 PolarHBondContact O-OG 3Å; L619-S623 WeakPolarHBondContact O-CB 3.39Å; L619-S623 PolarHBondContact O-N 3.42Å
620	V	97.8	Very high	96.8	Very high	24 Å²	24	54 Å²	54	15%	0.145	29%	0.291	C	S	.	.	H	α-helix	trans	-65	-40	175.9	179.2	0	0	0	0	111.8	Q616 I617 S622 S623 P702 L706	Q616-V620 PolarHBondContact O-N 2.77Å; I617-V620 PolarHBondContact O-N 2.66Å; V620-S622 PolarHBondContact O-N 3.13Å; V620-S622 VanDerWaalsContact O-N 3.07Å; V620-S623 PolarHBondContact O-N 3.38Å; V620-S623 VanDerWaalsContact O-N 3.1Å; V620-S623 PolarHBondContact O-OG 3.38Å; V620-P702 HydrophobicContact CG1-CB 4.15Å; V620-P702 WeakPolarHBondContact CG1-O 3.35Å; V620-L706 HydrophobicContact CB-CD2 3.71Å; V620-L706 HydrophobicContact CG1-CD2 3.72Å; V620-L706 HydrophobicContact CG2-CD2 4.09Å
621	A	97.3	Very high	96.7	Very high	2 Å²	2	53.3 Å²	53.3	2%	0.017	28%	0.284	C	S	.	.	H	α-helix	trans	-60.7	-18.9	175.3	0	0	0	0	0	113.7	I617 G618 L639 R642 L655 Y658	I617-A621 WeakPolarHBondContact O-CB 3.34Å; I617-A621 PolarHBondContact O-N 2.99Å; G618-A621 WeakPolarHBondContact O-CB 3.3Å; G618-A621 PolarHBondContact O-N 3Å; A621-L639 WeakPolarHBondContact O-CD2 3.4Å; A621-R642 WeakPolarHBondContact O-CD 3.44Å; A621-R642 PolarHBondContact O-NH1 2.9Å; A621-R642 VanDerWaalsContact O-NH1 3.14Å; A621-L655 HydrophobicContact CB-CD1 3.87Å; A621-Y658 HydrophobicContact CB-CD1 3.47Å; A621-Y658 VanDerWaalsContact CB-CD1 3.47Å; A621-Y658 HydrophobicContact CB-CD2 3.99Å; A621-Y658 HydrophobicContact CB-CE1 3.52Å; A621-Y658 HydrophobicContact CB-CE2 4.05Å; A621-Y658 HydrophobicContact CB-CG 3.72Å
622	S	97.3	Very high	96.7	Very high	28 Å²	28	55.7 Å²	55.7	20%	0.196	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107	8.2	-179.5	71.8	0	0	0	0	114	G618 L619 V620 L639	G618-S622 WeakPolarHBondContact O-CB 3.37Å; G618-S622 PolarHBondContact O-N 2.83Å; G618-S622 VanDerWaalsContact O-N 3.16Å; G618-S622 PolarHBondContact O-OG 2.95Å; L619-S622 CarbonylContact O-C 3.51Å; L619-S622 PolarHBondContact O-N 3.19Å; L619-S622 VanDerWaalsContact O-N 3.14Å; L619-S622 PolarHBondContact O-OG 3Å; V620-S622 PolarHBondContact O-N 3.13Å; V620-S622 VanDerWaalsContact O-N 3.07Å; S622-L639 VanDerWaalsContact CB-O 3.29Å; S622-L639 WeakPolarHBondContact CB-O 3.44Å
623	S	95.7	Very high	96.6	Very high	41 Å²	41	51.9 Å²	51.9	29%	0.287	29%	0.291	S	S	.	.	S	Bend	trans	-126.5	173.1	-175	77	0	0	0	0	113.4	L619 V620	L619-S623 WeakPolarHBondContact O-CB 3.39Å; L619-S623 PolarHBondContact O-N 3.42Å; V620-S623 PolarHBondContact O-N 3.38Å; V620-S623 VanDerWaalsContact O-N 3.1Å; V620-S623 PolarHBondContact O-OG 3.38Å
624	V	96.8	Very high	96.5	Very high	44 Å²	44	50.7 Å²	50.7	27%	0.267	29%	0.288	S	S	.	.			trans	-118	99.1	169.3	-179.8	0	0	0	0	106	V626 F629 I631 L639 L690	V624-V626 PolarHBondContact O-N 3.32Å; V624-F629 HydrophobicContact CG1-CB 3.82Å; V624-F629 HydrophobicContact CG1-CD1 3.83Å; V624-F629 HydrophobicContact CG1-CG 4.02Å; V624-I631 HydrophobicContact CG2-CD1 3.88Å; V624-I631 HydrophobicContact CG2-CG1 4.38Å; V624-I631 HydrophobicContact CG2-CG2 3.81Å; V624-L639 HydrophobicContact CG2-CD1 3.94Å; V624-L690 HydrophobicContact CG2-CD1 3.88Å
625	P	94	Very high	96.4	Very high	49 Å²	49	51.5 Å²	51.5	32%	0.318	29%	0.292	S	S	.	.			trans	-80.1	19.1	-169.1	32.1	-36.2	0	0	0	114	P702 H705	P625-P702 HydrophobicContact CG-CB 4.02Å; P625-H705 HydrophobicContact CB-CB 3.97Å; P625-H705 HydrophobicContact CG-CB 3.93Å
626	V	93.3	Very high	96.2	Very high	50 Å²	50	51.8 Å²	51.8	30%	0.303	30%	0.298	S	S	.	.	S	Bend	trans	-127.2	133.4	-176.3	-172.6	0	0	0	0	108.8	V624 F629 C700	V624-V626 PolarHBondContact O-N 3.32Å; V626-F629 HydrophobicContact CB-CB 4.28Å; V626-F629 HydrophobicContact CB-CD2 4.45Å; V626-F629 HydrophobicContact CG1-CD2 4.48Å; V626-C700 HydrophobicContact CG2-CB 4.07Å; V626-C700 WeakPolarHBondContact CG2-SG 3.42Å
627	E	92.6	Very high	96.2	Very high	166 Å²	166	57.3 Å²	57.3	78%	0.776	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	152.6	176.6	-62.9	-175.2	171.5	0	0	111.6	F629 R698	E627-F629 PolarHBondContact O-N 2.92Å; E627-F629 VanDerWaalsContact O-N 3.13Å; E627-R698 PolarHBondContact O-NH2 3.14Å
628	D	93.5	Very high	96.1	Very high	144 Å²	144	60.3 Å²	60.3	77%	0.77	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	33.9	178.9	-58.7	-35.1	0	0	0	114.4	R698	D628-R698 PolarHBondContact O-NH1 2.96Å
629	F	97.1	Very high	96	Very high	21 Å²	21	60.7 Å²	60.7	9%	0.092	33%	0.333	C	S	.	.			trans	-106.6	113.1	-178.5	-164.4	-76.7	0	0	0	111	V624 V626 E627 I631 L690 D692 R698 C700	V624-F629 HydrophobicContact CG1-CB 3.82Å; V624-F629 HydrophobicContact CG1-CD1 3.83Å; V624-F629 HydrophobicContact CG1-CG 4.02Å; V626-F629 HydrophobicContact CB-CB 4.28Å; V626-F629 HydrophobicContact CB-CD2 4.45Å; V626-F629 HydrophobicContact CG1-CD2 4.48Å; E627-F629 PolarHBondContact O-N 2.92Å; E627-F629 VanDerWaalsContact O-N 3.13Å; F629-I631 HydrophobicContact CD1-CG2 3.76Å; F629-I631 HydrophobicContact CE1-CG2 3.8Å; F629-L690 HydrophobicContact CE1-CB 3.97Å; F629-L690 HydrophobicContact CZ-CB 4.28Å; F629-L690 WeakPolarHBondContact CZ-O 3.45Å; F629-D692 HydrophobicContact CD2-CB 4.34Å; F629-D692 HydrophobicContact CE1-CB 4.2Å; F629-D692 HydrophobicContact CE2-CB 3.97Å; F629-D692 HydrophobicContact CZ-CB 3.89Å; F629-R698 HydrophobicContact CD2-CG 4.41Å; F629-R698 HydrophobicContact CE2-CG 4.01Å; F629-C700 HydrophobicContact CD2-CB 4.13Å; F629-C700 HydrophobicContact CE1-CB 4.4Å; F629-C700 HydrophobicContact CE2-CB 3.65Å; F629-C700 HydrophobicContact CZ-CB 3.81Å
630	T	97	Very high	96.1	Very high	60 Å²	60	62.2 Å²	62.2	37%	0.368	34%	0.335	S	S	.	.			trans	-93.3	112.6	-176.3	-57.6	0	0	0	0	111	D692 Q693 N694	T630-D692 CarbonylContact O-C 3.46Å; T630-D692 WeakPolarHBondContact O-CA 3.38Å; T630-Q693 HydrophobicContact CG2-CB 4.15Å; T630-Q693 WeakPolarHBondContact O-CG 3.32Å; T630-Q693 PolarHBondContact O-N 3.35Å; T630-N694 WeakPolarHBondContact CB-ND2 3.33Å; T630-N694 PolarHBondContact OG1-ND2 3.29Å
631	I	97.1	Very high	96.1	Very high	28 Å²	28	62.3 Å²	62.3	14%	0.144	34%	0.341	C	S	.	.			trans	-93.2	156.9	175	60	167.1	0	0	0	112.6	V624 F629 L635 S636 L639 L690	V624-I631 HydrophobicContact CG2-CD1 3.88Å; V624-I631 HydrophobicContact CG2-CG1 4.38Å; V624-I631 HydrophobicContact CG2-CG2 3.81Å; F629-I631 HydrophobicContact CD1-CG2 3.76Å; F629-I631 HydrophobicContact CE1-CG2 3.8Å; I631-L635 HydrophobicContact CB-CD2 4.1Å; I631-L635 HydrophobicContact CD1-CB 4.5Å; I631-L635 HydrophobicContact CD1-CD2 4.43Å; I631-L635 HydrophobicContact CD1-CG 4.29Å; I631-L635 HydrophobicContact CG2-CD2 4.17Å; I631-S636 WeakPolarHBondContact CD1-OG 3.47Å; I631-L639 HydrophobicContact CD1-CD1 3.76Å; I631-L690 HydrophobicContact CG2-CB 4.36Å; I631-L690 HydrophobicContact CG2-CD1 4.2Å
632	H	97.3	Very high	96.1	Very high	114 Å²	114	62.5 Å²	62.5	53%	0.528	34%	0.341	S	S	.	.			trans	-61.1	136.7	173	-174.9	-96.5	0	0	0	111.7	G634 L635 S636 Q693	H632-G634 PolarHBondContact ND1-N 3.19Å; H632-G634 VanDerWaalsContact ND1-N 3.12Å; H632-G634 PolarHBondContact O-N 3.12Å; H632-G634 VanDerWaalsContact O-N 3.1Å; H632-L635 WeakPolarHBondContact O-CA 3.38Å; H632-L635 VanDerWaalsContact O-CB 3.31Å; H632-L635 WeakPolarHBondContact O-CB 3.34Å; H632-L635 PolarHBondContact O-N 2.98Å; H632-S636 PolarHBondContact O-N 3.38Å; H632-Q693 HydrophobicContact CB-CG 4.27Å
633	G	96	Very high	96.1	Very high	50 Å²	50	61.7 Å²	61.7	52%	0.515	34%	0.338	S	S	.	.	H	α-helix	trans	-60.8	-26	-175.6	0	0	0	0	0	115
634	G	95.8	Very high	96.3	Very high	17 Å²	17	63.7 Å²	63.7	18%	0.175	34%	0.342	C	S	.	.	H	α-helix	trans	-63.5	-38.9	169.8	0	0	0	0	0	113.1	H632 R637 I638	H632-G634 PolarHBondContact ND1-N 3.19Å; H632-G634 VanDerWaalsContact ND1-N 3.12Å; H632-G634 PolarHBondContact O-N 3.12Å; H632-G634 VanDerWaalsContact O-N 3.1Å; G634-R637 PolarHBondContact O-N 3.03Å; G634-I638 PolarHBondContact O-N 3.46Å
635	L	95.6	Very high	96.3	Very high	18 Å²	18	62.3 Å²	62.3	9%	0.094	33%	0.333	C	S	.	.	H	α-helix	trans	-72.3	-36.1	179	-178.8	62.3	0	0	0	111.3	I631 H632 R637 I638 L639 H687 L690	I631-L635 HydrophobicContact CB-CD2 4.1Å; I631-L635 HydrophobicContact CD1-CB 4.5Å; I631-L635 HydrophobicContact CD1-CD2 4.43Å; I631-L635 HydrophobicContact CD1-CG 4.29Å; I631-L635 HydrophobicContact CG2-CD2 4.17Å; H632-L635 WeakPolarHBondContact O-CA 3.38Å; H632-L635 VanDerWaalsContact O-CB 3.31Å; H632-L635 WeakPolarHBondContact O-CB 3.34Å; H632-L635 PolarHBondContact O-N 2.98Å; L635-R637 PolarHBondContact O-N 3.18Å; L635-I638 HydrophobicContact CD1-CB 4.44Å; L635-I638 WeakPolarHBondContact O-CB 3.35Å; L635-I638 PolarHBondContact O-N 3.4Å; L635-L639 HydrophobicContact CD1-CG 4.36Å; L635-L639 HydrophobicContact CG-CD1 4.42Å; L635-L639 HydrophobicContact CG-CG 4.32Å; L635-L639 WeakPolarHBondContact O-CG 2.99Å; L635-L639 PolarHBondContact O-N 3.13Å; L635-H687 HydrophobicContact CD1-CB 3.78Å; L635-L690 HydrophobicContact CD1-CD2 4.42Å; L635-L690 HydrophobicContact CD2-CB 4.43Å; L635-L690 HydrophobicContact CD2-CD2 3.58Å; L635-L690 HydrophobicContact CD2-CG 4.37Å; L635-L690 HydrophobicContact CG-CD2 4.48Å
636	S	95.6	Very high	96.5	Very high	53 Å²	53	60.2 Å²	60.2	37%	0.371	32%	0.319	S	S	.	.	H	α-helix	trans	-55.3	-37.6	173.6	-47	0	0	0	0	112.1	I631 H632 K640	I631-S636 WeakPolarHBondContact CD1-OG 3.47Å; H632-S636 PolarHBondContact O-N 3.38Å; S636-K640 WeakPolarHBondContact O-CB 3.3Å; S636-K640 PolarHBondContact O-N 2.68Å
637	R	96.4	Very high	96.7	Very high	192 Å²	192	66.1 Å²	66.1	73%	0.725	34%	0.336	S	S	*	.	H	α-helix	trans	-67.1	-40.8	175.1	-67.6	-173.9	-71.7	160.9	-3.1	112.4	G634 L635 G641	G634-R637 PolarHBondContact O-N 3.03Å; L635-R637 PolarHBondContact O-N 3.18Å; R637-G641 PolarHBondContact O-N 2.8Å
638	I	96.4	Very high	97	Very high	62 Å²	62	63.7 Å²	63.7	32%	0.318	33%	0.329	S	S	.	.	H	α-helix	trans	-64.1	-48.7	177.9	-65.1	172.7	0	0	0	110.3	G634 L635 K640 G641 R642 H687	G634-I638 PolarHBondContact O-N 3.46Å; L635-I638 HydrophobicContact CD1-CB 4.44Å; L635-I638 WeakPolarHBondContact O-CB 3.35Å; L635-I638 PolarHBondContact O-N 3.4Å; I638-K640 PolarHBondContact O-N 3.21Å; I638-G641 PolarHBondContact O-N 2.87Å; I638-G641 VanDerWaalsContact O-N 3.15Å; I638-R642 PolarHBondContact O-N 3.01Å; I638-H687 WeakPolarHBondContact CD1-NE2 3.26Å
639	L	97.5	Very high	97.2	Very high	9 Å²	9	60.8 Å²	60.8	5%	0.047	31%	0.307	C	S	.	.	H	α-helix	trans	-61.5	-43	178.4	-64	-175.3	0	0	0	111.6	A621 S622 V624 I631 L635 G641 R642 G643 L690	A621-L639 WeakPolarHBondContact O-CD2 3.4Å; S622-L639 VanDerWaalsContact CB-O 3.29Å; S622-L639 WeakPolarHBondContact CB-O 3.44Å; V624-L639 HydrophobicContact CG2-CD1 3.94Å; I631-L639 HydrophobicContact CD1-CD1 3.76Å; L635-L639 HydrophobicContact CD1-CG 4.36Å; L635-L639 HydrophobicContact CG-CD1 4.42Å; L635-L639 HydrophobicContact CG-CG 4.32Å; L635-L639 WeakPolarHBondContact O-CG 2.99Å; L635-L639 PolarHBondContact O-N 3.13Å; L639-G641 VanDerWaalsContact C-N 3.32Å; L639-G641 PolarHBondContact O-N 2.97Å; L639-R642 WeakPolarHBondContact O-CB 3.34Å; L639-R642 PolarHBondContact O-N 2.91Å; L639-G643 PolarHBondContact O-N 2.78Å; L639-L690 HydrophobicContact CD1-CD1 4.38Å
640	K	97.6	Very high	97.3	Very high	135 Å²	135	61.5 Å²	61.5	59%	0.587	31%	0.313	S	S	*	.	H	α-helix	trans	-58.6	-43.3	173.3	-174.8	-177.9	175.7	-173.3	0	112.2	S636 I638 R642 G643 E644	S636-K640 WeakPolarHBondContact O-CB 3.3Å; S636-K640 PolarHBondContact O-N 2.68Å; I638-K640 PolarHBondContact O-N 3.21Å; K640-R642 VanDerWaalsContact C-N 3.33Å; K640-R642 PolarHBondContact O-N 2.89Å; K640-G643 PolarHBondContact O-N 2.75Å; K640-G643 VanDerWaalsContact O-N 3.15Å; K640-E644 VanDerWaalsContact CE-OE1 3.31Å; K640-E644 WeakPolarHBondContact CE-OE1 3.34Å; K640-E644 PolarHBondContact O-N 2.89Å
641	G	97.6	Very high	97.3	Very high	25 Å²	25	58.6 Å²	58.6	26%	0.258	30%	0.295	S	S	.	.	H	α-helix	trans	-60.7	-39.1	176.3	0	0	0	0	0	112.9	R637 I638 L639 E644 M645	R637-G641 PolarHBondContact O-N 2.8Å; I638-G641 PolarHBondContact O-N 2.87Å; I638-G641 VanDerWaalsContact O-N 3.15Å; L639-G641 VanDerWaalsContact C-N 3.32Å; L639-G641 PolarHBondContact O-N 2.97Å; G641-E644 PolarHBondContact O-N 3.02Å; G641-M645 WeakPolarHBondContact O-CG 3.49Å; G641-M645 PolarHBondContact O-N 2.85Å
642	R	97.9	Very high	97.4	Very high	6 Å²	6	59 Å²	59	2%	0.023	30%	0.298	C	S	.	.	H	α-helix	trans	-60.7	-46.1	171.4	-68.5	175.8	179.5	173.2	-2	111.5	A621 I638 L639 K640 E644 M645 V646 H685 R686	A621-R642 WeakPolarHBondContact O-CD 3.44Å; A621-R642 PolarHBondContact O-NH1 2.9Å; A621-R642 VanDerWaalsContact O-NH1 3.14Å; I638-R642 PolarHBondContact O-N 3.01Å; L639-R642 WeakPolarHBondContact O-CB 3.34Å; L639-R642 PolarHBondContact O-N 2.91Å; K640-R642 VanDerWaalsContact C-N 3.33Å; K640-R642 PolarHBondContact O-N 2.89Å; R642-E644 VanDerWaalsContact C-N 3.29Å; R642-E644 PolarHBondContact O-N 3.15Å; R642-M645 HydrophobicContact CG-CE 4.19Å; R642-M645 PolarHBondContact O-N 2.9Å; R642-M645 VanDerWaalsContact O-N 3.16Å; R642-V646 WeakPolarHBondContact O-CG2 3.29Å; R642-V646 PolarHBondContact O-N 2.94Å; R642-H685 PolarHBondContact NH2-O 3.34Å; R642-R686 PolarHBondContact NH2-O 2.8Å
643	G	98.1	Very high	97.4	Very high	12 Å²	12	53.8 Å²	53.8	12%	0.124	27%	0.273	C	S	.	.	H	α-helix	trans	-61.1	-35.5	176.7	0	0	0	0	0	113.4	L639 K640 R647	L639-G643 PolarHBondContact O-N 2.78Å; K640-G643 PolarHBondContact O-N 2.75Å; K640-G643 VanDerWaalsContact O-N 3.15Å; G643-R647 WeakPolarHBondContact O-CG 3.33Å; G643-R647 PolarHBondContact O-N 3.18Å; G643-R647 VanDerWaalsContact O-N 3.12Å
644	E	98.2	Very high	97.5	Very high	82 Å²	82	51.6 Å²	51.6	38%	0.383	25%	0.25	S	S	.	.	H	α-helix	trans	-66	-43.9	172.5	-73.2	171.1	-171.1	0	0	112.4	K640 G641 R642 V646 R647 N648	K640-E644 VanDerWaalsContact CE-OE1 3.31Å; K640-E644 WeakPolarHBondContact CE-OE1 3.34Å; K640-E644 PolarHBondContact O-N 2.89Å; G641-E644 PolarHBondContact O-N 3.02Å; R642-E644 VanDerWaalsContact C-N 3.29Å; R642-E644 PolarHBondContact O-N 3.15Å; E644-V646 PolarHBondContact O-N 2.9Å; E644-R647 VanDerWaalsContact CG-NH2 3.26Å; E644-R647 PolarHBondContact O-N 2.64Å; E644-N648 WeakPolarHBondContact O-CB 3.41Å; E644-N648 VanDerWaalsContact O-CG 3.26Å; E644-N648 PolarHBondContact O-N 3.32Å; E644-N648 PolarHBondContact O-ND2 3.25Å
645	M	98	Very high	97.7	Very high	16 Å²	16	50.8 Å²	50.8	8%	0.079	24%	0.242	C	C	.	.	H	α-helix	trans	-61.3	-43.3	176.5	-73.8	-171.1	-63.7	0	0	112.1	G641 R642 N648 R649 T650 D652 L655	G641-M645 WeakPolarHBondContact O-CG 3.49Å; G641-M645 PolarHBondContact O-N 2.85Å; R642-M645 HydrophobicContact CG-CE 4.19Å; R642-M645 PolarHBondContact O-N 2.9Å; R642-M645 VanDerWaalsContact O-N 3.16Å; M645-N648 CarbonylContact O-C 3.55Å; M645-N648 PolarHBondContact O-N 2.88Å; M645-N648 VanDerWaalsContact O-N 3.16Å; M645-R649 PolarHBondContact O-N 2.79Å; M645-R649 VanDerWaalsContact O-N 3.14Å; M645-T650 CarbonylContact C-O 3.56Å; M645-T650 VanDerWaalsContact C-O 3.26Å; M645-T650 WeakPolarHBondContact CB-O 3.4Å; M645-T650 PolarHBondContact O-N 2.82Å; M645-T650 PolarHBondContact O-OG1 3.13Å; M645-D652 HydrophobicContact CE-CB 4.22Å; M645-D652 VanDerWaalsContact CE-CG 3.5Å; M645-D652 WeakPolarHBondContact CE-OD2 3.23Å; M645-D652 HydrophobicContact SD-CB 3.85Å; M645-L655 HydrophobicContact CB-CD2 4.05Å; M645-L655 HydrophobicContact CE-CB 4.44Å; M645-L655 HydrophobicContact CE-CD2 4.18Å
646	V	98.3	Very high	97.8	Very high	4 Å²	4	50 Å²	50	2%	0.024	24%	0.238	C	C	.	.	H	α-helix	trans	-58.8	-49.6	175.3	174.7	0	0	0	0	111.1	R642 E644 N648 R649 L655 M659 F871	R642-V646 WeakPolarHBondContact O-CG2 3.29Å; R642-V646 PolarHBondContact O-N 2.94Å; E644-V646 PolarHBondContact O-N 2.9Å; V646-N648 PolarHBondContact O-N 2.9Å; V646-R649 PolarHBondContact O-N 3.35Å; V646-L655 HydrophobicContact CG2-CD2 3.84Å; V646-M659 HydrophobicContact CG2-CE 4.2Å; V646-F871 HydrophobicContact CG1-CZ 4.38Å
647	R	97.9	Very high	98	Very high	174 Å²	174	47.6 Å²	47.6	66%	0.657	22%	0.221	S	C	*	.	H	α-helix	trans	-58.7	-34.5	176.4	-76.1	-171.8	-66.9	-125.6	-1	113.1	G643 E644 R649	G643-R647 WeakPolarHBondContact O-CG 3.33Å; G643-R647 PolarHBondContact O-N 3.18Å; G643-R647 VanDerWaalsContact O-N 3.12Å; E644-R647 VanDerWaalsContact CG-NH2 3.26Å; E644-R647 PolarHBondContact O-N 2.64Å; R647-R649 VanDerWaalsContact C-N 3.27Å; R647-R649 PolarHBondContact O-N 2.96Å
648	N	98	Very high	98.1	Very high	116 Å²	116	38.5 Å²	38.5	62%	0.62	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.9	5.2	179.1	-66.5	-19.6	0	0	0	113.4	E644 M645 V646 T650	E644-N648 WeakPolarHBondContact O-CB 3.41Å; E644-N648 VanDerWaalsContact O-CG 3.26Å; E644-N648 PolarHBondContact O-N 3.32Å; E644-N648 PolarHBondContact O-ND2 3.25Å; M645-N648 CarbonylContact O-C 3.55Å; M645-N648 PolarHBondContact O-N 2.88Å; M645-N648 VanDerWaalsContact O-N 3.16Å; V646-N648 PolarHBondContact O-N 2.9Å; N648-T650 PolarHBondContact O-N 2.81Å
649	R	98.3	Very high	98.2	Very high	82 Å²	82	35.6 Å²	35.6	31%	0.309	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	55	37.4	-175.8	-59.1	170.3	58	105.9	1.1	113.1	E611 M645 V646 R647 S870 F871 D872	E611-R649 IonicContact OE1-CZ 3.71Å; E611-R649 IonicContact OE1-NH1 3.44Å; E611-R649 PolarHBondContact OE1-NH1 3.31Å; E611-R649 IonicContact OE2-CZ 2.76Å; E611-R649 IonicContact OE2-NH1 3.16Å; E611-R649 PolarHBondContact OE2-NH1 2.9Å; E611-R649 IonicContact OE2-NH2 3.85Å; E611-R649 PolarHBondContact OE2-NH2 3.37Å; M645-R649 PolarHBondContact O-N 2.79Å; M645-R649 VanDerWaalsContact O-N 3.14Å; V646-R649 PolarHBondContact O-N 3.35Å; R647-R649 VanDerWaalsContact C-N 3.27Å; R647-R649 PolarHBondContact O-N 2.96Å; R649-S870 WeakPolarHBondContact O-CA 3.36Å; R649-F871 VanDerWaalsContact C-CD1 3.4Å; R649-F871 HydrophobicContact CB-CB 4.25Å; R649-F871 HydrophobicContact CB-CD2 4.34Å; R649-F871 HydrophobicContact CB-CG 4.13Å; R649-F871 WeakPolarHBondContact O-CD1 3.18Å; R649-F871 PolarHBondContact O-N 3.31Å; R649-D872 IonicContact CZ-OD1 3.5Å; R649-D872 IonicContact NH2-OD1 3.47Å; R649-D872 PolarHBondContact NH2-OD1 3.22Å
650	T	98.1	Very high	98.2	Very high	36 Å²	36	35.1 Å²	35.1	22%	0.221	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	156.3	179.6	55.2	0	0	0	0	111.1	M645 N648 S869	M645-T650 CarbonylContact C-O 3.56Å; M645-T650 VanDerWaalsContact C-O 3.26Å; M645-T650 WeakPolarHBondContact CB-O 3.4Å; M645-T650 PolarHBondContact O-N 2.82Å; M645-T650 PolarHBondContact O-OG1 3.13Å; N648-T650 PolarHBondContact O-N 2.81Å; T650-S869 CarbonylContact C-O 3.55Å; T650-S869 VanDerWaalsContact CA-O 3.28Å; T650-S869 WeakPolarHBondContact CA-O 3.13Å
651	V	98.3	Very high	98.3	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	144.5	174	-61.3	0	0	0	0	111.3	L655 A656 M659 P834 R868 S869 F871 M874	V651-L655 HydrophobicContact CB-CB 4.33Å; V651-L655 HydrophobicContact CB-CD2 4.41Å; V651-L655 HydrophobicContact CB-CG 4.4Å; V651-L655 HydrophobicContact CG1-CB 4.49Å; V651-L655 HydrophobicContact CG1-CD2 3.98Å; V651-L655 HydrophobicContact CG1-CG 4.03Å; V651-A656 HydrophobicContact CB-CB 4.3Å; V651-A656 HydrophobicContact CG2-CB 3.97Å; V651-M659 HydrophobicContact CG1-CE 3.93Å; V651-M659 HydrophobicContact CG1-SD 3.61Å; V651-P834 HydrophobicContact CG2-CB 4.07Å; V651-R868 VanDerWaalsContact O-CA 3.24Å; V651-R868 WeakPolarHBondContact O-CA 3.45Å; V651-S869 PolarHBondContact N-O 3.39Å; V651-S869 PolarHBondContact O-N 3.02Å; V651-F871 HydrophobicContact CG1-CD1 3.96Å; V651-F871 HydrophobicContact CG1-CE1 3.5Å; V651-M874 HydrophobicContact CG1-SD 4.39Å; V651-M874 HydrophobicContact CG2-SD 3.81Å
652	D	98.1	Very high	98.3	Very high	36 Å²	36	27.6 Å²	27.6	19%	0.193	13%	0.129	C	C	.	.			trans	-93.3	-176.6	159.6	70.3	-0.4	0	0	0	110.3	M645 A654 L655 A656	M645-D652 HydrophobicContact CE-CB 4.22Å; M645-D652 VanDerWaalsContact CE-CG 3.5Å; M645-D652 WeakPolarHBondContact CE-OD2 3.23Å; M645-D652 HydrophobicContact SD-CB 3.85Å; D652-A654 PolarHBondContact O-N 2.95Å; D652-A654 PolarHBondContact OD1-N 3.5Å; D652-L655 PolarHBondContact O-N 2.99Å; D652-L655 VanDerWaalsContact OD1-CB 3.28Å; D652-L655 WeakPolarHBondContact OD1-CB 3.31Å; D652-L655 PolarHBondContact OD1-N 3.27Å; D652-A656 VanDerWaalsContact O-CB 3.31Å; D652-A656 WeakPolarHBondContact O-CB 3.42Å; D652-A656 PolarHBondContact O-N 3.23Å
653	W	98.4	Very high	98.4	Very high	5 Å²	5	27.4 Å²	27.4	2%	0.019	13%	0.129	C	C	.	.	H	α-helix	trans	-60.6	-44.3	-176.2	-143.4	-81.6	0	0	0	113.4	A656 E657 C831 P834 Y837 P858 L861 L862	W653-A656 PolarHBondContact O-N 2.73Å; W653-E657 PolarHBondContact O-N 3.15Å; W653-C831 HydrophobicContact CH2-CB 4Å; W653-C831 WeakPolarHBondContact CH2-O 3.26Å; W653-C831 HydrophobicContact CZ2-CB 3.97Å; W653-P834 HydrophobicContact CE3-CG 3.88Å; W653-P834 HydrophobicContact CZ3-CG 4.45Å; W653-Y837 AromaticContact CD1-CD1 3.48Å; W653-Y837 VanDerWaalsContact CD1-CD1 3.48Å; W653-Y837 AromaticContact CD1-CE1 3.64Å; W653-Y837 AromaticContact CE2-CD1 3.92Å; W653-Y837 AromaticContact CE2-CG 3.96Å; W653-Y837 HydrophobicContact CG-CD1 4.41Å; W653-Y837 HydrophobicContact CZ2-CG 4.2Å; W653-Y837 AromaticContact NE1-CD1 3.09Å; W653-Y837 AromaticContact NE1-CE1 3.42Å; W653-Y837 AromaticContact NE1-CG 3.48Å; W653-P858 HydrophobicContact CD2-CG 3.47Å; W653-P858 VanDerWaalsContact CD2-CG 3.47Å; W653-P858 VanDerWaalsContact CE2-CD 3.4Å; W653-P858 HydrophobicContact CE3-CG 3.85Å; W653-P858 HydrophobicContact CG-CG 3.93Å; W653-P858 HydrophobicContact CH2-CG 4.03Å; W653-P858 HydrophobicContact CZ2-CG 3.67Å; W653-P858 HydrophobicContact CZ3-CG 4.11Å; W653-L861 HydrophobicContact CE3-CB 4.43Å; W653-L861 HydrophobicContact CZ3-CB 4.37Å; W653-L861 HydrophobicContact CZ3-CD1 4.28Å; W653-L862 HydrophobicContact CB-CD2 3.78Å; W653-L862 HydrophobicContact CG-CD2 3.92Å
654	A	97.9	Very high	98.4	Very high	4 Å²	4	26.8 Å²	26.8	3%	0.033	12%	0.123	C	C	.	.	H	α-helix	trans	-69.7	-40.1	-177	0	0	0	0	0	111.5	D652 E657 Y658 H685	D652-A654 PolarHBondContact O-N 2.95Å; D652-A654 PolarHBondContact OD1-N 3.5Å; A654-E657 PolarHBondContact O-N 3.47Å; A654-Y658 WeakPolarHBondContact O-CB 3.42Å; A654-Y658 PolarHBondContact O-N 3.47Å; A654-H685 VanDerWaalsContact CB-O 3.29Å; A654-H685 WeakPolarHBondContact CB-O 3.47Å
655	L	98.6	Very high	98.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-70.4	-37.3	177.2	-173.9	58.2	0	0	0	111.9	A621 M645 V646 V651 D652 Y658 M659	A621-L655 HydrophobicContact CB-CD1 3.87Å; M645-L655 HydrophobicContact CB-CD2 4.05Å; M645-L655 HydrophobicContact CE-CB 4.44Å; M645-L655 HydrophobicContact CE-CD2 4.18Å; V646-L655 HydrophobicContact CG2-CD2 3.84Å; V651-L655 HydrophobicContact CB-CB 4.33Å; V651-L655 HydrophobicContact CB-CD2 4.41Å; V651-L655 HydrophobicContact CB-CG 4.4Å; V651-L655 HydrophobicContact CG1-CB 4.49Å; V651-L655 HydrophobicContact CG1-CD2 3.98Å; V651-L655 HydrophobicContact CG1-CG 4.03Å; D652-L655 PolarHBondContact O-N 2.99Å; D652-L655 VanDerWaalsContact OD1-CB 3.28Å; D652-L655 WeakPolarHBondContact OD1-CB 3.31Å; D652-L655 PolarHBondContact OD1-N 3.27Å; L655-Y658 PolarHBondContact O-N 2.94Å; L655-M659 HydrophobicContact CD1-CE 3.92Å; L655-M659 HydrophobicContact CD2-CE 3.99Å; L655-M659 HydrophobicContact CG-CE 3.76Å; L655-M659 HydrophobicContact CG-SD 4.29Å; L655-M659 WeakPolarHBondContact O-CB 3.48Å; L655-M659 VanDerWaalsContact O-CG 3.31Å; L655-M659 WeakPolarHBondContact O-CG 3.46Å; L655-M659 PolarHBondContact O-N 2.98Å
656	A	98.7	Very high	98.4	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-63.9	-41.8	174.2	0	0	0	0	0	112	V651 D652 W653 M659 A660 P834 F838	V651-A656 HydrophobicContact CB-CB 4.3Å; V651-A656 HydrophobicContact CG2-CB 3.97Å; D652-A656 VanDerWaalsContact O-CB 3.31Å; D652-A656 WeakPolarHBondContact O-CB 3.42Å; D652-A656 PolarHBondContact O-N 3.23Å; W653-A656 PolarHBondContact O-N 2.73Å; A656-M659 PolarHBondContact O-N 3Å; A656-A660 PolarHBondContact O-N 2.84Å; A656-P834 HydrophobicContact CB-CB 3.64Å; A656-P834 WeakPolarHBondContact CB-O 3.38Å; A656-F838 HydrophobicContact CB-CB 4.28Å
657	E	98.8	Very high	98.3	Very high	3 Å²	3	28.7 Å²	28.7	1%	0.014	13%	0.13	C	C	.	.	H	α-helix	trans	-57.8	-52.7	171.2	-169	-178.8	76.6	0	0	110.8	W653 A654 M659 A660 L661 R686 H688 Y837 L841	W653-E657 PolarHBondContact O-N 3.15Å; A654-E657 PolarHBondContact O-N 3.47Å; E657-M659 VanDerWaalsContact C-N 3.27Å; E657-M659 PolarHBondContact O-N 3.27Å; E657-A660 WeakPolarHBondContact O-CB 3.49Å; E657-A660 PolarHBondContact O-N 3.33Å; E657-L661 HydrophobicContact CG-CD1 4.18Å; E657-L661 HydrophobicContact CG-CG 4.33Å; E657-L661 WeakPolarHBondContact O-CG 3.45Å; E657-L661 PolarHBondContact O-N 3.2Å; E657-R686 WeakPolarHBondContact OE1-CD 3.49Å; E657-R686 IonicContact OE1-CZ 3.76Å; E657-R686 IonicContact OE1-NE 3.18Å; E657-R686 PolarHBondContact OE1-NE 3Å; E657-R686 IonicContact OE1-NH2 3.53Å; E657-R686 IonicContact OE2-CZ 2.77Å; E657-R686 IonicContact OE2-NE 3.6Å; E657-R686 IonicContact OE2-NH2 2.85Å; E657-R686 PolarHBondContact OE2-NH2 3.14Å; E657-H688 IonicContact OE1-CE1 3.84Å; E657-Y837 HydrophobicContact CB-CD1 4.41Å; E657-Y837 HydrophobicContact CB-CE1 3.78Å; E657-Y837 HydrophobicContact CG-CE1 3.87Å; E657-Y837 PolarHBondContact OE2-OH 2.99Å; E657-L841 HydrophobicContact CG-CD1 4.25Å
658	Y	98.8	Very high	98.2	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.008	12%	0.123	C	C	.	.	H	α-helix	trans	-57	-41.1	-179.3	-160.1	-70.5	0	0	0	111.8	I617 A621 A654 L655 G662 H688 M703 L706	I617-Y658 HydrophobicContact CG2-CD1 3.67Å; I617-Y658 HydrophobicContact CG2-CE1 3.98Å; A621-Y658 HydrophobicContact CB-CD1 3.47Å; A621-Y658 VanDerWaalsContact CB-CD1 3.47Å; A621-Y658 HydrophobicContact CB-CD2 3.99Å; A621-Y658 HydrophobicContact CB-CE1 3.52Å; A621-Y658 HydrophobicContact CB-CE2 4.05Å; A621-Y658 HydrophobicContact CB-CG 3.72Å; A654-Y658 WeakPolarHBondContact O-CB 3.42Å; A654-Y658 PolarHBondContact O-N 3.47Å; L655-Y658 PolarHBondContact O-N 2.94Å; Y658-G662 WeakPolarHBondContact O-CA 3.46Å; Y658-G662 PolarHBondContact O-N 3.39Å; Y658-H688 AromaticContact CD2-CD2 3.57Å; Y658-H688 AromaticContact CD2-NE2 3.36Å; Y658-H688 WeakPolarHBondContact CD2-NE2 3.49Å; Y658-H688 AromaticContact CE2-CD2 3.82Å; Y658-M703 HydrophobicContact CD1-CE 3.69Å; Y658-M703 HydrophobicContact CD2-CE 3.34Å; Y658-M703 HydrophobicContact CE1-CB 4.42Å; Y658-M703 HydrophobicContact CE1-CE 3.77Å; Y658-M703 HydrophobicContact CE1-CG 4.22Å; Y658-M703 HydrophobicContact CE2-CB 4.33Å; Y658-M703 HydrophobicContact CE2-CE 3.42Å; Y658-M703 VanDerWaalsContact CE2-CE 3.42Å; Y658-M703 HydrophobicContact CG-CE 3.48Å; Y658-M703 VanDerWaalsContact CG-CE 3.48Å; Y658-M703 VanDerWaalsContact OH-CA 3.25Å; Y658-M703 WeakPolarHBondContact OH-CA 3.34Å; Y658-M703 WeakPolarHBondContact OH-CB 3.02Å; Y658-M703 PolarHBondContact OH-N 3.4Å; Y658-L706 HydrophobicContact CE1-CD2 4.18Å
659	M	98.8	Very high	98.2	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-67.3	-38.9	176	-73.6	173.4	177.7	0	0	112.5	L614 I617 V646 V651 L655 A656 E657 S663 F838 F871 M874	L614-M659 HydrophobicContact CB-CE 4.48Å; L614-M659 HydrophobicContact CB-SD 4.43Å; L614-M659 HydrophobicContact CD2-CB 4.22Å; L614-M659 HydrophobicContact CD2-CG 4.2Å; L614-M659 HydrophobicContact CD2-SD 3.53Å; L614-M659 VanDerWaalsContact CD2-SD 3.53Å; L614-M659 WeakPolarHBondContact O-CE 3.2Å; I617-M659 HydrophobicContact CG2-CG 4.21Å; V646-M659 HydrophobicContact CG2-CE 4.2Å; V651-M659 HydrophobicContact CG1-CE 3.93Å; V651-M659 HydrophobicContact CG1-SD 3.61Å; L655-M659 HydrophobicContact CD1-CE 3.92Å; L655-M659 HydrophobicContact CD2-CE 3.99Å; L655-M659 HydrophobicContact CG-CE 3.76Å; L655-M659 HydrophobicContact CG-SD 4.29Å; L655-M659 WeakPolarHBondContact O-CB 3.48Å; L655-M659 VanDerWaalsContact O-CG 3.31Å; L655-M659 WeakPolarHBondContact O-CG 3.46Å; L655-M659 PolarHBondContact O-N 2.98Å; A656-M659 PolarHBondContact O-N 3Å; E657-M659 VanDerWaalsContact C-N 3.27Å; E657-M659 PolarHBondContact O-N 3.27Å; M659-S663 VanDerWaalsContact O-CB 3.22Å; M659-S663 WeakPolarHBondContact O-CB 3.44Å; M659-S663 PolarHBondContact O-N 3.33Å; M659-S663 PolarHBondContact O-OG 2.92Å; M659-F838 HydrophobicContact CB-CD2 4.09Å; M659-F838 HydrophobicContact CB-CE2 4.01Å; M659-F871 HydrophobicContact CE-CE1 3.85Å; M659-F871 HydrophobicContact CE-CZ 3.6Å; M659-F871 HydrophobicContact SD-CE1 4.4Å; M659-M874 HydrophobicContact CB-CE 4.19Å; M659-M874 HydrophobicContact SD-CE 3.91Å
660	A	98.8	Very high	98.2	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-64.4	-51.9	176.9	0	0	0	0	0	110.8	A656 E657 S663 L664 F838 L841 R842	A656-A660 PolarHBondContact O-N 2.84Å; E657-A660 WeakPolarHBondContact O-CB 3.49Å; E657-A660 PolarHBondContact O-N 3.33Å; A660-S663 PolarHBondContact O-N 3.2Å; A660-S663 PolarHBondContact O-OG 2.83Å; A660-L664 WeakPolarHBondContact O-CG 3.14Å; A660-L664 PolarHBondContact O-N 3.38Å; A660-F838 HydrophobicContact CB-CB 4.45Å; A660-F838 HydrophobicContact CB-CD2 3.55Å; A660-F838 HydrophobicContact CB-CE2 4.12Å; A660-F838 HydrophobicContact CB-CG 4.23Å; A660-L841 HydrophobicContact CB-CB 4.06Å; A660-L841 HydrophobicContact CB-CD1 4.02Å; A660-R842 HydrophobicContact CB-CG 4.27Å
661	L	98.8	Very high	98.2	Very high	1 Å²	1	13 Å²	13	1%	0.005	8%	0.075	C	C	.	.	H	α-helix	trans	-64.2	-47.9	179.4	-54.9	-172.2	0	0	0	110.9	E657 S663 L664 L665 V671 M703 Y713 L740 L742 L841	E657-L661 HydrophobicContact CG-CD1 4.18Å; E657-L661 HydrophobicContact CG-CG 4.33Å; E657-L661 WeakPolarHBondContact O-CG 3.45Å; E657-L661 PolarHBondContact O-N 3.2Å; L661-S663 VanDerWaalsContact C-N 3.31Å; L661-S663 PolarHBondContact O-N 3.37Å; L661-L664 PolarHBondContact O-N 3.08Å; L661-L665 WeakPolarHBondContact O-CG 3.37Å; L661-L665 PolarHBondContact O-N 3.07Å; L661-V671 HydrophobicContact CB-CG1 4.32Å; L661-V671 HydrophobicContact CD1-CG1 4.21Å; L661-V671 HydrophobicContact CD2-CG1 3.86Å; L661-V671 HydrophobicContact CG-CG1 4.33Å; L661-M703 HydrophobicContact CB-CE 4.21Å; L661-M703 HydrophobicContact CB-SD 3.92Å; L661-Y713 HydrophobicContact CD1-CE2 4.16Å; L661-L740 HydrophobicContact CD2-CD2 3.62Å; L661-L742 HydrophobicContact CD2-CD1 4.29Å; L661-L841 HydrophobicContact CD2-CD1 4.32Å
662	G	98.5	Very high	98.2	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-59.6	-38.1	179.7	0	0	0	0	0	113.7	Y658 L665 K666	Y658-G662 WeakPolarHBondContact O-CA 3.46Å; Y658-G662 PolarHBondContact O-N 3.39Å; G662-L665 PolarHBondContact O-N 2.71Å; G662-K666 WeakPolarHBondContact O-CG 3.16Å; G662-K666 PolarHBondContact O-N 2.69Å; G662-K666 VanDerWaalsContact O-N 3.1Å
663	S	98.4	Very high	98.2	Very high	2 Å²	2	11.6 Å²	11.6	1%	0.014	7%	0.067	C	C	.	.	H	α-helix	trans	-67.7	-39.7	176.9	62	0	0	0	0	112.5	M659 A660 L661 K666 E667 R842	M659-S663 VanDerWaalsContact O-CB 3.22Å; M659-S663 WeakPolarHBondContact O-CB 3.44Å; M659-S663 PolarHBondContact O-N 3.33Å; M659-S663 PolarHBondContact O-OG 2.92Å; A660-S663 PolarHBondContact O-N 3.2Å; A660-S663 PolarHBondContact O-OG 2.83Å; L661-S663 VanDerWaalsContact C-N 3.31Å; L661-S663 PolarHBondContact O-N 3.37Å; S663-K666 PolarHBondContact O-N 3.46Å; S663-E667 VanDerWaalsContact O-CG 3.3Å; S663-E667 WeakPolarHBondContact O-CG 3.19Å; S663-E667 PolarHBondContact O-N 3.08Å; S663-R842 WeakPolarHBondContact OG-CD 3.2Å; S663-R842 PolarHBondContact OG-NH1 2.99Å
664	L	98.5	Very high	98.3	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-64.5	-40.4	175.1	-69.6	173.1	0	0	0	111.5	A660 L661 K666 E667 G668 I669 V671 L740 R842 I845	A660-L664 WeakPolarHBondContact O-CG 3.14Å; A660-L664 PolarHBondContact O-N 3.38Å; L661-L664 PolarHBondContact O-N 3.08Å; L664-K666 PolarHBondContact O-N 3.11Å; L664-E667 CarbonylContact O-C 3.57Å; L664-E667 WeakPolarHBondContact O-CA 3.4Å; L664-E667 WeakPolarHBondContact O-CB 3.34Å; L664-E667 PolarHBondContact O-N 3.27Å; L664-G668 PolarHBondContact O-N 3.34Å; L664-I669 HydrophobicContact CB-CB 4.06Å; L664-I669 HydrophobicContact CB-CG2 4.34Å; L664-I669 HydrophobicContact CD2-CG1 4.46Å; L664-I669 VanDerWaalsContact O-CB 3.29Å; L664-I669 WeakPolarHBondContact O-CB 3.36Å; L664-I669 PolarHBondContact O-N 3.26Å; L664-V671 HydrophobicContact CB-CG2 4.18Å; L664-L740 HydrophobicContact CD1-CB 4.42Å; L664-L740 HydrophobicContact CD1-CD2 3.65Å; L664-R842 HydrophobicContact CD1-CG 4.5Å; L664-R842 HydrophobicContact CD2-CG 4.41Å; L664-R842 HydrophobicContact CG-CG 4.28Å; L664-I845 HydrophobicContact CD1-CG1 4.02Å; L664-I845 HydrophobicContact CD2-CB 3.99Å; L664-I845 HydrophobicContact CD2-CG1 4.09Å; L664-I845 HydrophobicContact CD2-CG2 4.16Å
665	L	98.5	Very high	98.3	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-60.5	-44.3	175.7	-65.8	165.8	0	0	0	111.7	L661 G662 E667 G668 V671 M703 L706 Q710 A711 P712 Y713	L661-L665 WeakPolarHBondContact O-CG 3.37Å; L661-L665 PolarHBondContact O-N 3.07Å; G662-L665 PolarHBondContact O-N 2.71Å; L665-E667 PolarHBondContact O-N 3.13Å; L665-G668 PolarHBondContact O-N 2.75Å; L665-V671 HydrophobicContact CD2-CB 4.02Å; L665-V671 HydrophobicContact CD2-CG2 3.94Å; L665-V671 HydrophobicContact CG-CB 4.45Å; L665-V671 HydrophobicContact CG-CG2 4.05Å; L665-M703 HydrophobicContact CD1-CG 3.49Å; L665-M703 VanDerWaalsContact CD1-CG 3.49Å; L665-M703 HydrophobicContact CD1-SD 3.61Å; L665-L706 HydrophobicContact CB-CD1 4.44Å; L665-L706 HydrophobicContact CD1-CD1 4.24Å; L665-Q710 WeakPolarHBondContact O-CA 3.26Å; L665-A711 HydrophobicContact CD2-CB 4.36Å; L665-A711 WeakPolarHBondContact CD2-O 3.42Å; L665-A711 PolarHBondContact O-N 2.82Å; L665-P712 WeakPolarHBondContact CD2-O 3.43Å; L665-Y713 HydrophobicContact CD1-CD2 4.25Å; L665-Y713 HydrophobicContact CD1-CG 4.1Å
666	K	97.7	Very high	98.3	Very high	52 Å²	52	11.9 Å²	11.9	23%	0.226	7%	0.068	C	C	.	.	H	α-helix	trans	-64.7	-24.7	174	-69.3	-172.7	73.7	-179.9	0	113.2	N613 I617 G662 S663 L664 G668 L706 A707	N613-K666 PolarHBondContact OD1-NZ 2.93Å; I617-K666 HydrophobicContact CD1-CD 4.3Å; I617-K666 HydrophobicContact CG1-CD 4.14Å; G662-K666 WeakPolarHBondContact O-CG 3.16Å; G662-K666 PolarHBondContact O-N 2.69Å; G662-K666 VanDerWaalsContact O-N 3.1Å; S663-K666 PolarHBondContact O-N 3.46Å; L664-K666 PolarHBondContact O-N 3.11Å; K666-G668 PolarHBondContact O-N 2.87Å; K666-L706 HydrophobicContact CD-CB 4.35Å; K666-L706 HydrophobicContact CG-CB 4.19Å; K666-A707 HydrophobicContact CG-CB 4.5Å
667	E	96.4	Very high	98.2	Very high	89 Å²	89	14.9 Å²	14.9	42%	0.416	9%	0.085	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	6.5	173.9	-70.1	165.3	-164.7	0	0	112.8	S663 L664 L665 I669 R842	S663-E667 VanDerWaalsContact O-CG 3.3Å; S663-E667 WeakPolarHBondContact O-CG 3.19Å; S663-E667 PolarHBondContact O-N 3.08Å; L664-E667 CarbonylContact O-C 3.57Å; L664-E667 WeakPolarHBondContact O-CA 3.4Å; L664-E667 WeakPolarHBondContact O-CB 3.34Å; L664-E667 PolarHBondContact O-N 3.27Å; L665-E667 PolarHBondContact O-N 3.13Å; E667-I669 HydrophobicContact CB-CG1 4.38Å; E667-R842 IonicContact OE1-CZ 2.63Å; E667-R842 VanDerWaalsContact OE1-CZ 3.29Å; E667-R842 IonicContact OE1-NH1 3.97Å; E667-R842 PolarHBondContact OE1-NH1 3.47Å; E667-R842 IonicContact OE1-NH2 2.73Å; E667-R842 PolarHBondContact OE1-NH2 3.3Å; E667-R842 IonicContact OE2-CZ 2.83Å; E667-R842 IonicContact OE2-NH1 3.2Å; E667-R842 PolarHBondContact OE2-NH1 3.01Å; E667-R842 IonicContact OE2-NH2 3.92Å; E667-R842 PolarHBondContact OE2-NH2 3.31Å
668	G	96.2	Very high	98.2	Very high	49 Å²	49	14.8 Å²	14.8	51%	0.505	8%	0.084	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.6	16.1	178.9	0	0	0	0	0	114.2	L664 L665 K666 A711	L664-G668 PolarHBondContact O-N 3.34Å; L665-G668 PolarHBondContact O-N 2.75Å; K666-G668 PolarHBondContact O-N 2.87Å; G668-A711 VanDerWaalsContact C-CB 3.48Å
669	I	97.6	Very high	98.2	Very high	22 Å²	22	16.4 Å²	16.4	11%	0.113	9%	0.091	C	C	.	.			trans	-96.9	120.8	-179	-54.7	-64.1	0	0	0	109.8	L664 E667 V671 A711 N738 I845	L664-I669 HydrophobicContact CB-CB 4.06Å; L664-I669 HydrophobicContact CB-CG2 4.34Å; L664-I669 HydrophobicContact CD2-CG1 4.46Å; L664-I669 VanDerWaalsContact O-CB 3.29Å; L664-I669 WeakPolarHBondContact O-CB 3.36Å; L664-I669 PolarHBondContact O-N 3.26Å; E667-I669 HydrophobicContact CB-CG1 4.38Å; I669-V671 PolarHBondContact O-N 3.03Å; I669-A711 WeakPolarHBondContact O-CB 3.48Å; I669-N738 HydrophobicContact CD1-CB 4.22Å; I669-I845 HydrophobicContact CD1-CG2 3.9Å; I669-I845 HydrophobicContact CG1-CG2 3.97Å; I669-I845 HydrophobicContact CG2-CD1 4.04Å; I669-I845 HydrophobicContact CG2-CG1 4.08Å; I669-I845 HydrophobicContact CG2-CG2 4.06Å
670	H	97.7	Very high	98.2	Very high	8 Å²	8	22 Å²	22	4%	0.037	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	132.4	173.5	173.7	-148.6	0	0	0	110.2	F393 Y394 P712 T714 F732 A739 L740	F393-H670 AromaticContact CD1-CE1 3.95Å; F393-H670 AromaticContact CD1-ND1 3.94Å; F393-H670 HydrophobicContact CE1-CB 4.48Å; F393-H670 AromaticContact CE1-CE1 3.47Å; F393-H670 VanDerWaalsContact CE1-CE1 3.47Å; F393-H670 WeakPolarHBondContact CE1-CE1 3.33Å; F393-H670 AromaticContact CE1-CG 3.76Å; F393-H670 AromaticContact CE1-ND1 3.33Å; F393-H670 VanDerWaalsContact CE1-ND1 3.33Å; F393-H670 WeakPolarHBondContact CE1-ND1 3.36Å; F393-H670 AromaticContact CE1-NE2 3.96Å; F393-H670 AromaticContact CZ-CD2 3.84Å; F393-H670 AromaticContact CZ-CE1 3.58Å; F393-H670 AromaticContact CZ-CG 3.97Å; F393-H670 AromaticContact CZ-ND1 3.81Å; F393-H670 AromaticContact CZ-NE2 3.61Å; Y394-H670 HydrophobicContact CE1-CB 4.46Å; Y394-H670 AromaticContact CZ-ND1 3.76Å; Y394-H670 PolarHBondContact OH-ND1 3.48Å; Y394-H670 VanDerWaalsContact OH-ND1 3.07Å; H670-P712 PolarHBondContact CD2-O 3.19Å; H670-P712 VanDerWaalsContact CD2-O 3.26Å; H670-T714 PolarHBondContact NE2-OG1 3.03Å; H670-T714 VanDerWaalsContact NE2-OG1 3.08Å; H670-F732 AromaticContact CE1-CE1 3.66Å; H670-F732 AromaticContact CE1-CZ 3.75Å; H670-A739 HydrophobicContact CB-CB 4.14Å; H670-A739 CarbonylContact O-C 3.23Å; H670-A739 VanDerWaalsContact O-CA 3.22Å; H670-A739 WeakPolarHBondContact O-CA 3.24Å; H670-L740 PolarHBondContact O-N 3.44Å
671	V	98.7	Very high	98.1	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	127.9	171.6	179.4	0	0	0	0	109.6	L661 L664 L665 I669 Y713 T714 L740 L742	L661-V671 HydrophobicContact CB-CG1 4.32Å; L661-V671 HydrophobicContact CD1-CG1 4.21Å; L661-V671 HydrophobicContact CD2-CG1 3.86Å; L661-V671 HydrophobicContact CG-CG1 4.33Å; L664-V671 HydrophobicContact CB-CG2 4.18Å; L665-V671 HydrophobicContact CD2-CB 4.02Å; L665-V671 HydrophobicContact CD2-CG2 3.94Å; L665-V671 HydrophobicContact CG-CB 4.45Å; L665-V671 HydrophobicContact CG-CG2 4.05Å; I669-V671 PolarHBondContact O-N 3.03Å; V671-Y713 HydrophobicContact CB-CD2 3.88Å; V671-Y713 HydrophobicContact CB-CE2 4.29Å; V671-Y713 HydrophobicContact CG1-CD2 3.88Å; V671-Y713 HydrophobicContact CG1-CE2 3.76Å; V671-Y713 WeakPolarHBondContact O-CD2 3.31Å; V671-T714 PolarHBondContact O-N 3Å; V671-L740 WeakPolarHBondContact CA-O 3.46Å; V671-L740 HydrophobicContact CG1-CD2 4.5Å; V671-L740 HydrophobicContact CG2-CB 4.18Å; V671-L742 HydrophobicContact CG1-CD1 3.8Å
672	R	98.5	Very high	98.1	Very high	5 Å²	5	23 Å²	23	2%	0.019	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	124.4	172.7	-179.2	175.6	166.6	92.7	0.1	110.4	S431 T714 E729 L740 I741 L742	S431-R672 PolarHBondContact O-NH1 3.41Å; S431-R672 PolarHBondContact O-NH2 3.14Å; R672-T714 CarbonylContact C-O 3.31Å; R672-T714 WeakPolarHBondContact CA-O 3.5Å; R672-T714 HydrophobicContact CG-CG2 4.19Å; R672-E729 WeakPolarHBondContact CD-OE2 3.38Å; R672-E729 IonicContact CZ-OE1 3.81Å; R672-E729 IonicContact CZ-OE2 2.71Å; R672-E729 IonicContact NE-OE1 3.29Å; R672-E729 PolarHBondContact NE-OE1 3.48Å; R672-E729 IonicContact NE-OE2 3.58Å; R672-E729 PolarHBondContact NE-OE2 2.9Å; R672-E729 IonicContact NH2-OE1 2.92Å; R672-E729 PolarHBondContact NH2-OE1 3.03Å; R672-E729 IonicContact NH2-OE2 3.64Å; R672-L740 PolarHBondContact N-O 3.07Å; R672-I741 HydrophobicContact CB-CD1 3.67Å; R672-L742 WeakPolarHBondContact O-CD1 3.36Å; R672-L742 PolarHBondContact O-N 3.44Å
673	L	98.8	Very high	98.1	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.005	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	119.9	174.1	174.6	62.4	0	0	0	110	V678 Y713 T714 V715 C716 L742 E744 L778	L673-V678 HydrophobicContact CD1-CG1 4.49Å; L673-V678 HydrophobicContact CD2-CB 4.21Å; L673-V678 HydrophobicContact CG-CB 4.06Å; L673-V678 HydrophobicContact CG-CG2 4.17Å; L673-Y713 HydrophobicContact CB-CE2 4.45Å; L673-T714 PolarHBondContact N-O 3.03Å; L673-V715 HydrophobicContact CB-CG2 4.31Å; L673-V715 HydrophobicContact CD2-CG2 4.17Å; L673-V715 HydrophobicContact CG-CG2 4.36Å; L673-V715 WeakPolarHBondContact O-CA 3.25Å; L673-C716 PolarHBondContact O-N 3.21Å; L673-L742 HydrophobicContact CD1-CB 3.76Å; L673-E744 HydrophobicContact CD1-CB 4.42Å; L673-L778 HydrophobicContact CD1-CD1 4.26Å
674	S	98.7	Very high	98	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	144.6	-174.7	176	0	0	0	0	111.1	Y432 E729 L742 W743 E744	Y432-S674 PolarHBondContact OH-OG 3.19Å; S674-E729 WeakPolarHBondContact CB-OE1 3.05Å; S674-E729 VanDerWaalsContact OG-CD 3.31Å; S674-E729 PolarHBondContact OG-OE1 3.32Å; S674-L742 PolarHBondContact N-O 2.82Å; S674-W743 CarbonylContact O-C 3.58Å; S674-W743 VanDerWaalsContact O-CA 3.3Å; S674-W743 WeakPolarHBondContact O-CA 3.46Å; S674-E744 PolarHBondContact O-N 3.35Å
675	G	98.6	Very high	98	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	151.1	175.7	179.2	0	0	0	0	0	112.1	D677 V678 N717 S718	G675-D677 PolarHBondContact O-N 2.9Å; G675-V678 WeakPolarHBondContact O-CG2 3.23Å; G675-N717 CarbonylContact O-C 2.92Å; G675-N717 WeakPolarHBondContact O-CA 3.11Å; G675-S718 PolarHBondContact O-N 2.82Å
676	Q	98.5	Very high	97.9	Very high	15 Å²	15	27.8 Å²	27.8	7%	0.07	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	125.5	-178.7	-65.4	163.4	18	0	0	110.1	V678 S718 E722 Q746	Q676-V678 PolarHBondContact O-N 3.16Å; Q676-V678 VanDerWaalsContact O-N 3.1Å; Q676-S718 PolarHBondContact N-OG 2.61Å; Q676-E722 PolarHBondContact NE2-OE1 3.08Å; Q676-Q746 HydrophobicContact CB-CB 4.36Å
677	D	98.1	Very high	97.9	Very high	64 Å²	64	26.2 Å²	26.2	34%	0.342	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	16.8	178	-55.5	-75.7	0	0	0	116	G675 E679 R680 G681 N717 Q746	G675-D677 PolarHBondContact O-N 2.9Å; D677-E679 PolarHBondContact O-N 2.65Å; D677-E679 VanDerWaalsContact O-N 3.17Å; D677-R680 PolarHBondContact O-N 2.94Å; D677-G681 CarbonylContact O-C 3.53Å; D677-G681 VanDerWaalsContact O-CA 3.3Å; D677-G681 WeakPolarHBondContact O-CA 3.47Å; D677-G681 PolarHBondContact O-N 3.14Å; D677-N717 WeakPolarHBondContact CA-OD1 3.49Å; D677-Q746 PolarHBondContact OD2-NE2 3.15Å; D677-Q746 VanDerWaalsContact OD2-NE2 3.11Å
678	V	98.5	Very high	98	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-27.4	-173.4	-65.7	0	0	0	0	113.8	L673 G675 Q676 R680 G681 R686 V715 C716 N717 E744	L673-V678 HydrophobicContact CD1-CG1 4.49Å; L673-V678 HydrophobicContact CD2-CB 4.21Å; L673-V678 HydrophobicContact CG-CB 4.06Å; L673-V678 HydrophobicContact CG-CG2 4.17Å; G675-V678 WeakPolarHBondContact O-CG2 3.23Å; Q676-V678 PolarHBondContact O-N 3.16Å; Q676-V678 VanDerWaalsContact O-N 3.1Å; V678-R680 VanDerWaalsContact C-N 3.3Å; V678-R680 PolarHBondContact O-N 3.34Å; V678-G681 PolarHBondContact O-N 3.01Å; V678-R686 VanDerWaalsContact O-CD 3.32Å; V678-R686 WeakPolarHBondContact O-CD 3.22Å; V678-R686 PolarHBondContact O-NH1 3.22Å; V678-V715 HydrophobicContact CG2-CG2 4.12Å; V678-C716 VanDerWaalsContact CG2-O 3.24Å; V678-C716 WeakPolarHBondContact CG2-O 3.23Å; V678-N717 PolarHBondContact N-OD1 2.72Å; V678-E744 HydrophobicContact CG1-CB 3.77Å; V678-E744 HydrophobicContact CG1-CG 4.39Å
679	E	98.3	Very high	98.1	Very high	36 Å²	36	20.1 Å²	20.1	17%	0.168	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-41.9	178.8	-71.3	175.6	-161.3	0	0	112.4	D677 H687 H688 V689 V715 N717	D677-E679 PolarHBondContact O-N 2.65Å; D677-E679 VanDerWaalsContact O-N 3.17Å; E679-H687 CarbonylContact O-C 3.56Å; E679-H688 PolarHBondContact O-N 3.39Å; E679-V689 HydrophobicContact CB-CB 3.94Å; E679-V689 HydrophobicContact CB-CG2 3.57Å; E679-V689 HydrophobicContact CG-CB 4.31Å; E679-V689 HydrophobicContact CG-CG2 3.48Å; E679-V689 VanDerWaalsContact CG-CG2 3.48Å; E679-V689 PolarHBondContact O-N 3.07Å; E679-V715 HydrophobicContact CB-CG2 4.49Å; E679-V715 HydrophobicContact CG-CG1 4.41Å; E679-V715 HydrophobicContact CG-CG2 3.88Å; E679-N717 WeakPolarHBondContact CB-OD1 3.45Å; E679-N717 VanDerWaalsContact CD-CG 3.45Å; E679-N717 WeakPolarHBondContact CG-OD1 3.24Å; E679-N717 PolarHBondContact N-OD1 3.16Å; E679-N717 VanDerWaalsContact N-OD1 3.1Å; E679-N717 PolarHBondContact OE1-N 2.85Å; E679-N717 PolarHBondContact OE1-ND2 3.42Å; E679-N717 PolarHBondContact OE2-ND2 2.71Å
680	R	98.3	Very high	98.1	Very high	117 Å²	117	19.1 Å²	19.1	44%	0.442	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-32.7	172.4	-170.1	-162.8	72.2	-162.9	1.6	111.5	D677 V678 T682 R686 H687	D677-R680 PolarHBondContact O-N 2.94Å; V678-R680 VanDerWaalsContact C-N 3.3Å; V678-R680 PolarHBondContact O-N 3.34Å; R680-T682 PolarHBondContact NH2-O 3.02Å; R680-R686 WeakPolarHBondContact O-CB 3.39Å; R680-R686 PolarHBondContact O-N 3.09Å; R680-R686 VanDerWaalsContact O-N 3.08Å; R680-H687 PolarHBondContact O-N 3.13Å
681	G	98.1	Very high	98.1	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.9	139	-161.9	0	0	0	0	0	111.3	D677 V678 F683 S684	D677-G681 CarbonylContact O-C 3.53Å; D677-G681 VanDerWaalsContact O-CA 3.3Å; D677-G681 WeakPolarHBondContact O-CA 3.47Å; D677-G681 PolarHBondContact O-N 3.14Å; V678-G681 PolarHBondContact O-N 3.01Å; G681-F683 PolarHBondContact O-N 3.47Å; G681-F683 VanDerWaalsContact O-N 3.17Å; G681-S684 WeakPolarHBondContact O-CA 3.42Å; G681-S684 PolarHBondContact O-N 3.02Å
682	T	98	Very high	98	Very high	23 Å²	23	23.9 Å²	23.9	14%	0.141	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.4	-50	176.6	-53.8	0	0	0	0	111.3	R680 S684 Q746 F747	R680-T682 PolarHBondContact NH2-O 3.02Å; T682-S684 VanDerWaalsContact C-N 3.26Å; T682-S684 PolarHBondContact O-N 2.88Å; T682-Q746 HydrophobicContact CG2-CG 3.57Å; T682-Q746 WeakPolarHBondContact OG1-CG 3.25Å; T682-Q746 PolarHBondContact OG1-O 3.29Å; T682-F747 HydrophobicContact CG2-CE2 3.96Å
683	F	97.7	Very high	98	Very high	40 Å²	40	28.3 Å²	28.3	18%	0.175	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	11.9	-177.4	-49.5	-74.2	0	0	0	114.4	G681 H685 F747 P780 K859 L862 R863	G681-F683 PolarHBondContact O-N 3.47Å; G681-F683 VanDerWaalsContact O-N 3.17Å; F683-H685 PolarHBondContact O-N 3.13Å; F683-F747 AromaticContact CE1-CE1 3.78Å; F683-F747 HydrophobicContact CE1-CE1 3.78Å; F683-F747 HydrophobicContact CE1-CE2 4.4Å; F683-F747 AromaticContact CE1-CZ 3.6Å; F683-F747 HydrophobicContact CE1-CZ 3.6Å; F683-F747 HydrophobicContact CZ-CD1 4.31Å; F683-F747 AromaticContact CZ-CE1 3.8Å; F683-F747 HydrophobicContact CZ-CE1 3.8Å; F683-F747 HydrophobicContact CZ-CE2 4.42Å; F683-F747 AromaticContact CZ-CZ 3.87Å; F683-F747 HydrophobicContact CZ-CZ 3.87Å; F683-P780 HydrophobicContact CE2-CB 3.83Å; F683-P780 HydrophobicContact CE2-CG 3.99Å; F683-P780 HydrophobicContact CZ-CB 3.96Å; F683-P780 HydrophobicContact CZ-CG 4.47Å; F683-K859 HydrophobicContact CE1-CB 4.18Å; F683-K859 HydrophobicContact CE1-CD 4.12Å; F683-K859 HydrophobicContact CE1-CG 3.93Å; F683-K859 HydrophobicContact CE2-CG 4.05Å; F683-K859 HydrophobicContact CZ-CB 4.21Å; F683-K859 HydrophobicContact CZ-CD 3.86Å; F683-K859 HydrophobicContact CZ-CG 3.53Å; F683-L862 HydrophobicContact CB-CD1 3.67Å; F683-L862 HydrophobicContact CD2-CD1 3.59Å; F683-L862 HydrophobicContact CG-CD1 3.78Å; F683-R863 PolarHBondContact O-NH1 3.37Å; F683-R863 PolarHBondContact O-NH2 3.14Å
684	S	97.4	Very high	97.9	Very high	43 Å²	43	34.2 Å²	34.2	30%	0.301	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	51.9	-176.2	-170.8	0	0	0	0	112.6	G681 T682 H687 R863	G681-S684 WeakPolarHBondContact O-CA 3.42Å; G681-S684 PolarHBondContact O-N 3.02Å; T682-S684 VanDerWaalsContact C-N 3.26Å; T682-S684 PolarHBondContact O-N 2.88Å; S684-H687 PolarHBondContact O-NE2 2.65Å; S684-H687 VanDerWaalsContact O-NE2 3.15Å; S684-H687 PolarHBondContact OG-CE1 3.34Å; S684-H687 PolarHBondContact OG-NE2 2.68Å; S684-H687 VanDerWaalsContact OG-NE2 3.15Å; S684-R863 PolarHBondContact O-NH2 2.86Å
685	H	97.3	Very high	97.7	Very high	19 Å²	19	37.4 Å²	37.4	9%	0.088	19%	0.187	C	C	.	.			trans	-118	-28	-176	67.8	-75.2	0	0	0	112.3	R642 A654 F683 L862	R642-H685 PolarHBondContact NH2-O 3.34Å; A654-H685 VanDerWaalsContact CB-O 3.29Å; A654-H685 WeakPolarHBondContact CB-O 3.47Å; F683-H685 PolarHBondContact O-N 3.13Å; H685-L862 HydrophobicContact CB-CD1 4.22Å
686	R	97.7	Very high	97.5	Very high	1 Å²	1	44 Å²	44	0%	0.004	22%	0.222	C	C	.	.			trans	-89.4	-55.3	-167.3	-173.4	173.2	-64	111.2	-2.5	113.3	R642 E657 V678 R680 H688 E744	R642-R686 PolarHBondContact NH2-O 2.8Å; E657-R686 WeakPolarHBondContact OE1-CD 3.49Å; E657-R686 IonicContact OE1-CZ 3.76Å; E657-R686 IonicContact OE1-NE 3.18Å; E657-R686 PolarHBondContact OE1-NE 3Å; E657-R686 IonicContact OE1-NH2 3.53Å; E657-R686 IonicContact OE2-CZ 2.77Å; E657-R686 IonicContact OE2-NE 3.6Å; E657-R686 IonicContact OE2-NH2 2.85Å; E657-R686 PolarHBondContact OE2-NH2 3.14Å; V678-R686 VanDerWaalsContact O-CD 3.32Å; V678-R686 WeakPolarHBondContact O-CD 3.22Å; V678-R686 PolarHBondContact O-NH1 3.22Å; R680-R686 WeakPolarHBondContact O-CB 3.39Å; R680-R686 PolarHBondContact O-N 3.09Å; R680-R686 VanDerWaalsContact O-N 3.08Å; R686-H688 VanDerWaalsContact C-N 3.31Å; R686-H688 WeakPolarHBondContact CD-ND1 3.35Å; R686-H688 HydrophobicContact CG-CB 4.29Å; R686-H688 WeakPolarHBondContact CG-CD2 3.44Å; R686-H688 VanDerWaalsContact CG-CE1 3.45Å; R686-H688 WeakPolarHBondContact CG-CE1 3.35Å; R686-H688 VanDerWaalsContact CG-CG 3.48Å; R686-H688 WeakPolarHBondContact CG-NE2 3Å; R686-H688 PolarHBondContact O-CD2 3.17Å; R686-H688 VanDerWaalsContact O-CD2 3.3Å; R686-H688 PolarHBondContact O-N 3.12Å; R686-E744 IonicContact CZ-OE1 2.75Å; R686-E744 IonicContact CZ-OE2 3.38Å; R686-E744 IonicContact NH1-OE1 3.24Å; R686-E744 IonicContact NH1-OE2 3.05Å; R686-E744 PolarHBondContact NH1-OE2 2.86Å; R686-E744 IonicContact NH2-OE1 3.48Å; R686-E744 PolarHBondContact NH2-OE1 2.89Å; R686-E744 IonicContact NH2-OE2 3.12Å; R686-E744 PolarHBondContact NH2-OE2 3.07Å
687	H	97.8	Very high	97.2	Very high	19 Å²	19	51.7 Å²	51.7	9%	0.088	26%	0.255	C	S	.	.			trans	46.8	49.8	177.9	-55.3	-73.4	0	0	0	113.6	L635 I638 E679 R680 S684 V689 L690	L635-H687 HydrophobicContact CD1-CB 3.78Å; I638-H687 WeakPolarHBondContact CD1-NE2 3.26Å; E679-H687 CarbonylContact O-C 3.56Å; R680-H687 PolarHBondContact O-N 3.13Å; S684-H687 PolarHBondContact O-NE2 2.65Å; S684-H687 VanDerWaalsContact O-NE2 3.15Å; S684-H687 PolarHBondContact OG-CE1 3.34Å; S684-H687 PolarHBondContact OG-NE2 2.68Å; S684-H687 VanDerWaalsContact OG-NE2 3.15Å; H687-V689 VanDerWaalsContact C-N 3.3Å; H687-L690 HydrophobicContact CB-CD2 4.39Å; H687-L690 WeakPolarHBondContact O-CD2 3.34Å
688	H	98	Very high	97.1	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.253	C	S	.	.			trans	-77.7	-21.4	175.6	-73.4	-176.4	0	0	0	111.9	E657 Y658 E679 R686 P702 Y713 V715	E657-H688 IonicContact OE1-CE1 3.84Å; Y658-H688 AromaticContact CD2-CD2 3.57Å; Y658-H688 AromaticContact CD2-NE2 3.36Å; Y658-H688 WeakPolarHBondContact CD2-NE2 3.49Å; Y658-H688 AromaticContact CE2-CD2 3.82Å; E679-H688 PolarHBondContact O-N 3.39Å; R686-H688 VanDerWaalsContact C-N 3.31Å; R686-H688 WeakPolarHBondContact CD-ND1 3.35Å; R686-H688 HydrophobicContact CG-CB 4.29Å; R686-H688 WeakPolarHBondContact CG-CD2 3.44Å; R686-H688 VanDerWaalsContact CG-CE1 3.45Å; R686-H688 WeakPolarHBondContact CG-CE1 3.35Å; R686-H688 VanDerWaalsContact CG-CG 3.48Å; R686-H688 WeakPolarHBondContact CG-NE2 3Å; R686-H688 PolarHBondContact O-CD2 3.17Å; R686-H688 VanDerWaalsContact O-CD2 3.3Å; R686-H688 PolarHBondContact O-N 3.12Å; H688-P702 WeakPolarHBondContact O-CD 3.3Å; H688-Y713 HydrophobicContact CB-CE1 4.07Å; H688-Y713 AromaticContact ND1-CE1 3.86Å; H688-Y713 AromaticContact ND1-CZ 3.57Å; H688-Y713 PolarHBondContact ND1-OH 2.95Å; H688-V715 HydrophobicContact CB-CG1 4.46Å
689	V	98.1	Very high	97	Very high	10 Å²	10	55.8 Å²	55.8	6%	0.061	27%	0.274	C	S	.	.	S	Bend	trans	-111.5	128	169.2	-171.4	0	0	0	0	109.1	E679 H687 T699 I701 V715	E679-V689 HydrophobicContact CB-CB 3.94Å; E679-V689 HydrophobicContact CB-CG2 3.57Å; E679-V689 HydrophobicContact CG-CB 4.31Å; E679-V689 HydrophobicContact CG-CG2 3.48Å; E679-V689 VanDerWaalsContact CG-CG2 3.48Å; E679-V689 PolarHBondContact O-N 3.07Å; H687-V689 VanDerWaalsContact C-N 3.3Å; V689-T699 HydrophobicContact CG1-CG2 3.87Å; V689-I701 HydrophobicContact CG2-CD1 4.43Å; V689-I701 HydrophobicContact CG2-CG1 4.14Å; V689-V715 HydrophobicContact CG2-CG1 3.54Å
690	L	97.8	Very high	97	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.005	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	140.6	173.2	-46.2	-170	0	0	0	108.5	V624 F629 I631 L635 L639 H687 T699 C700 P702	V624-L690 HydrophobicContact CG2-CD1 3.88Å; F629-L690 HydrophobicContact CE1-CB 3.97Å; F629-L690 HydrophobicContact CZ-CB 4.28Å; F629-L690 WeakPolarHBondContact CZ-O 3.45Å; I631-L690 HydrophobicContact CG2-CB 4.36Å; I631-L690 HydrophobicContact CG2-CD1 4.2Å; L635-L690 HydrophobicContact CD1-CD2 4.42Å; L635-L690 HydrophobicContact CD2-CB 4.43Å; L635-L690 HydrophobicContact CD2-CD2 3.58Å; L635-L690 HydrophobicContact CD2-CG 4.37Å; L635-L690 HydrophobicContact CG-CD2 4.48Å; L639-L690 HydrophobicContact CD1-CD1 4.38Å; H687-L690 HydrophobicContact CB-CD2 4.39Å; H687-L690 WeakPolarHBondContact O-CD2 3.34Å; L690-T699 CarbonylContact O-C 3.37Å; L690-T699 WeakPolarHBondContact O-CA 3.38Å; L690-C700 HydrophobicContact CB-CB 4.43Å; L690-C700 PolarHBondContact N-O 3.05Å; L690-C700 PolarHBondContact O-N 3.28Å; L690-P702 HydrophobicContact CD1-CG 3.65Å; L690-P702 HydrophobicContact CG-CG 3.83Å
691	H	97.1	Very high	96.9	Very high	96 Å²	96	50.5 Å²	50.5	44%	0.444	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	133.5	178.3	-65.1	-101.5	0	0	0	110.1	Q693	H691-Q693 PolarHBondContact O-NE2 2.84Å
692	D	97.6	Very high	96.9	Very high	12 Å²	12	50.7 Å²	50.7	6%	0.064	26%	0.257	C	S	.	.			trans	-68.8	130.6	173.2	-160.9	-40	0	0	0	109.2	F629 T630 N694 V695 R698	F629-D692 HydrophobicContact CD2-CB 4.34Å; F629-D692 HydrophobicContact CE1-CB 4.2Å; F629-D692 HydrophobicContact CE2-CB 3.97Å; F629-D692 HydrophobicContact CZ-CB 3.89Å; T630-D692 CarbonylContact O-C 3.46Å; T630-D692 WeakPolarHBondContact O-CA 3.38Å; D692-N694 VanDerWaalsContact C-N 3.28Å; D692-N694 PolarHBondContact OD1-N 3.28Å; D692-V695 HydrophobicContact CB-CB 4.23Å; D692-R698 HydrophobicContact CB-CB 3.9Å; D692-R698 HydrophobicContact CB-CG 4.19Å; D692-R698 PolarHBondContact N-O 3Å; D692-R698 WeakPolarHBondContact OD2-CD 3.25Å; D692-R698 IonicContact OD2-CZ 2.75Å; D692-R698 IonicContact OD2-NE 2.6Å; D692-R698 IonicContact OD2-NH1 3.74Å; D692-R698 PolarHBondContact OD2-NH1 3.05Å
693	Q	97.3	Very high	96.8	Very high	98 Å²	98	49.6 Å²	49.6	46%	0.458	25%	0.25	S	S	.	.	S	Bend	trans	-76.5	-18.4	178.4	-61.5	-59.7	-86.4	0	0	112.7	T630 H632 H691	T630-Q693 HydrophobicContact CG2-CB 4.15Å; T630-Q693 WeakPolarHBondContact O-CG 3.32Å; T630-Q693 PolarHBondContact O-N 3.35Å; H632-Q693 HydrophobicContact CB-CG 4.27Å; H691-Q693 PolarHBondContact O-NE2 2.84Å
694	N	96.8	Very high	96.8	Very high	124 Å²	124	50.6 Å²	50.6	66%	0.663	26%	0.258	S	S	*	.	S	Bend	trans	-109.1	-12	-173.9	-64	-25.5	0	0	0	113.2	T630 D692	T630-N694 WeakPolarHBondContact CB-ND2 3.33Å; T630-N694 PolarHBondContact OG1-ND2 3.29Å; D692-N694 VanDerWaalsContact C-N 3.28Å; D692-N694 PolarHBondContact OD1-N 3.28Å
695	V	96.1	Very high	96.8	Very high	68 Å²	68	53 Å²	53	41%	0.412	26%	0.264	S	S	.	.	S	Bend	trans	-132.3	117.2	-176.4	-171.9	0	0	0	0	110.4	D692 R698	D692-V695 HydrophobicContact CB-CB 4.23Å; V695-R698 HydrophobicContact CB-CB 3.81Å; V695-R698 HydrophobicContact CG1-CB 3.77Å; V695-R698 PolarHBondContact O-N 2.97Å
696	D	93.8	Very high	96.7	Very high	139 Å²	139	53.1 Å²	53.1	74%	0.743	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	141.8	179.7	-173.7	37.8	0	0	0	111.9	R698	D696-R698 PolarHBondContact O-N 2.95Å
697	K	92.3	Very high	96.6	Very high	176 Å²	176	54.1 Å²	54.1	77%	0.765	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	7	-178.4	-59	175	-171.8	179.9	0	116	T699	K697-T699 PolarHBondContact O-N 2.91Å
698	R	96.2	Very high	96.4	Very high	77 Å²	77	60.1 Å²	60.1	29%	0.291	31%	0.314	S	S	.	.			trans	-79.9	108.8	174.3	-172.3	-179.3	178.6	-154.6	4.3	109.1	E627 D628 F629 D692 V695 D696	E627-R698 PolarHBondContact O-NH2 3.14Å; D628-R698 PolarHBondContact O-NH1 2.96Å; F629-R698 HydrophobicContact CD2-CG 4.41Å; F629-R698 HydrophobicContact CE2-CG 4.01Å; D692-R698 HydrophobicContact CB-CB 3.9Å; D692-R698 HydrophobicContact CB-CG 4.19Å; D692-R698 PolarHBondContact N-O 3Å; D692-R698 WeakPolarHBondContact OD2-CD 3.25Å; D692-R698 IonicContact OD2-CZ 2.75Å; D692-R698 IonicContact OD2-NE 2.6Å; D692-R698 IonicContact OD2-NH1 3.74Å; D692-R698 PolarHBondContact OD2-NH1 3.05Å; V695-R698 HydrophobicContact CB-CB 3.81Å; V695-R698 HydrophobicContact CG1-CB 3.77Å; V695-R698 PolarHBondContact O-N 2.97Å; D696-R698 PolarHBondContact O-N 2.95Å
699	T	96.4	Very high	96.2	Very high	72 Å²	72	66.5 Å²	66.5	44%	0.442	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	149.8	178.6	56.4	0	0	0	0	111.8	V689 L690 K697	V689-T699 HydrophobicContact CG1-CG2 3.87Å; L690-T699 CarbonylContact O-C 3.37Å; L690-T699 WeakPolarHBondContact O-CA 3.38Å; K697-T699 PolarHBondContact O-N 2.91Å
700	C	96.8	Very high	96.1	Very high	5 Å²	5	67.4 Å²	67.4	3%	0.034	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	135.3	169.1	171.1	0	0	0	0	108.7	V626 F629 L690 P702	V626-C700 HydrophobicContact CG2-CB 4.07Å; V626-C700 WeakPolarHBondContact CG2-SG 3.42Å; F629-C700 HydrophobicContact CD2-CB 4.13Å; F629-C700 HydrophobicContact CE1-CB 4.4Å; F629-C700 HydrophobicContact CE2-CB 3.65Å; F629-C700 HydrophobicContact CZ-CB 3.81Å; L690-C700 HydrophobicContact CB-CB 4.43Å; L690-C700 PolarHBondContact N-O 3.05Å; L690-C700 PolarHBondContact O-N 3.28Å; C700-P702 WeakPolarHBondContact O-CD 3.43Å
701	I	97.6	Very high	96	Very high	38 Å²	38	67.9 Å²	67.9	20%	0.195	36%	0.356	C	S	.	.			trans	-110.5	93.6	172	-54.1	-178.3	0	0	0	106.6	V689 M703 N704 H705 Y713 V715	V689-I701 HydrophobicContact CG2-CD1 4.43Å; V689-I701 HydrophobicContact CG2-CG1 4.14Å; I701-M703 HydrophobicContact CG2-CB 4.43Å; I701-M703 PolarHBondContact O-N 3.28Å; I701-N704 HydrophobicContact CB-CB 4.4Å; I701-N704 HydrophobicContact CG2-CB 4.48Å; I701-N704 WeakPolarHBondContact O-CB 3.31Å; I701-N704 PolarHBondContact O-N 3.07Å; I701-H705 PolarHBondContact O-CD2 2.9Å; I701-H705 VanDerWaalsContact O-CD2 3.31Å; I701-Y713 HydrophobicContact CG2-CD1 3.76Å; I701-Y713 HydrophobicContact CG2-CE1 4.21Å; I701-V715 HydrophobicContact CD1-CG1 4.1Å; I701-V715 HydrophobicContact CG2-CG1 4.34Å
702	P	97.2	Very high	95.9	Very high	4 Å²	4	66.7 Å²	66.7	3%	0.026	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-56.6	-30.3	-173.9	-27.4	35.7	0	0	0	113.5	V620 P625 H688 L690 C700 N704 H705	V620-P702 HydrophobicContact CG1-CB 4.15Å; V620-P702 WeakPolarHBondContact CG1-O 3.35Å; P625-P702 HydrophobicContact CG-CB 4.02Å; H688-P702 WeakPolarHBondContact O-CD 3.3Å; L690-P702 HydrophobicContact CD1-CG 3.65Å; L690-P702 HydrophobicContact CG-CG 3.83Å; C700-P702 WeakPolarHBondContact O-CD 3.43Å; P702-N704 PolarHBondContact O-N 3.36Å; P702-H705 WeakPolarHBondContact O-CB 3.22Å; P702-H705 PolarHBondContact O-N 2.96Å
703	M	96.8	Very high	95.9	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-65.1	-18.6	178	-159.9	177.5	-72.8	0	0	112.9	Y658 L661 L665 I701 H705 L706 Q710 Y713	Y658-M703 HydrophobicContact CD1-CE 3.69Å; Y658-M703 HydrophobicContact CD2-CE 3.34Å; Y658-M703 HydrophobicContact CE1-CB 4.42Å; Y658-M703 HydrophobicContact CE1-CE 3.77Å; Y658-M703 HydrophobicContact CE1-CG 4.22Å; Y658-M703 HydrophobicContact CE2-CB 4.33Å; Y658-M703 HydrophobicContact CE2-CE 3.42Å; Y658-M703 VanDerWaalsContact CE2-CE 3.42Å; Y658-M703 HydrophobicContact CG-CE 3.48Å; Y658-M703 VanDerWaalsContact CG-CE 3.48Å; Y658-M703 VanDerWaalsContact OH-CA 3.25Å; Y658-M703 WeakPolarHBondContact OH-CA 3.34Å; Y658-M703 WeakPolarHBondContact OH-CB 3.02Å; Y658-M703 PolarHBondContact OH-N 3.4Å; L661-M703 HydrophobicContact CB-CE 4.21Å; L661-M703 HydrophobicContact CB-SD 3.92Å; L665-M703 HydrophobicContact CD1-CG 3.49Å; L665-M703 VanDerWaalsContact CD1-CG 3.49Å; L665-M703 HydrophobicContact CD1-SD 3.61Å; I701-M703 HydrophobicContact CG2-CB 4.43Å; I701-M703 PolarHBondContact O-N 3.28Å; M703-H705 PolarHBondContact O-N 2.99Å; M703-L706 HydrophobicContact CG-CD1 4.02Å; M703-L706 WeakPolarHBondContact O-CG 2.9Å; M703-Q710 PolarHBondContact O-NE2 3.36Å; M703-Q710 PolarHBondContact O-OE1 2.88Å; M703-Y713 HydrophobicContact CB-CD1 3.77Å; M703-Y713 HydrophobicContact CB-CE1 4.28Å; M703-Y713 HydrophobicContact CB-CG 4.36Å; M703-Y713 HydrophobicContact CG-CD1 4.08Å; M703-Y713 HydrophobicContact CG-CG 4.23Å; M703-Y713 HydrophobicContact SD-CD1 3.7Å; M703-Y713 HydrophobicContact SD-CD2 3.86Å; M703-Y713 HydrophobicContact SD-CE1 3.79Å; M703-Y713 HydrophobicContact SD-CE2 3.93Å; M703-Y713 HydrophobicContact SD-CG 3.74Å
704	N	97	Very high	95.9	Very high	61 Å²	61	63.3 Å²	63.3	33%	0.326	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-79.7	9.6	170.6	-77.8	-32.1	0	0	0	113.8	I701 P702 Q710 Y713	I701-N704 HydrophobicContact CB-CB 4.4Å; I701-N704 HydrophobicContact CG2-CB 4.48Å; I701-N704 WeakPolarHBondContact O-CB 3.31Å; I701-N704 PolarHBondContact O-N 3.07Å; P702-N704 PolarHBondContact O-N 3.36Å; N704-Q710 PolarHBondContact O-NE2 2.83Å; N704-Y713 PolarHBondContact ND2-O 3.35Å; N704-Y713 WeakPolarHBondContact OD1-CB 3.41Å; N704-Y713 PolarHBondContact OD1-N 3.18Å; N704-Y713 PolarHBondContact OD1-O 3.14Å
705	H	96.8	Very high	96	Very high	92 Å²	92	58 Å²	58	43%	0.426	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-129.7	30.3	179.9	-54.6	-91.4	0	0	0	113.7	P625 I701 P702 M703	P625-H705 HydrophobicContact CB-CB 3.97Å; P625-H705 HydrophobicContact CG-CB 3.93Å; I701-H705 PolarHBondContact O-CD2 2.9Å; I701-H705 VanDerWaalsContact O-CD2 3.31Å; P702-H705 WeakPolarHBondContact O-CB 3.22Å; P702-H705 PolarHBondContact O-N 2.96Å; M703-H705 PolarHBondContact O-N 2.99Å
706	L	96.8	Very high	95.9	Very high	22 Å²	22	54.7 Å²	54.7	12%	0.115	30%	0.295	C	S	.	.	S	Bend	trans	-80.4	-36.8	-179.7	-44.8	161.4	0	0	0	112.8	I617 V620 Y658 L665 K666 M703 Q710	I617-L706 HydrophobicContact CB-CD2 4.49Å; I617-L706 HydrophobicContact CG1-CD2 4.41Å; I617-L706 HydrophobicContact CG2-CD2 4.19Å; V620-L706 HydrophobicContact CB-CD2 3.71Å; V620-L706 HydrophobicContact CG1-CD2 3.72Å; V620-L706 HydrophobicContact CG2-CD2 4.09Å; Y658-L706 HydrophobicContact CE1-CD2 4.18Å; L665-L706 HydrophobicContact CB-CD1 4.44Å; L665-L706 HydrophobicContact CD1-CD1 4.24Å; K666-L706 HydrophobicContact CD-CB 4.35Å; K666-L706 HydrophobicContact CG-CB 4.19Å; M703-L706 HydrophobicContact CG-CD1 4.02Å; M703-L706 WeakPolarHBondContact O-CG 2.9Å; L706-Q710 VanDerWaalsContact N-OE1 3.14Å
707	A	94.6	Very high	96.1	Very high	23 Å²	23	51 Å²	51	19%	0.19	28%	0.275	C	S	.	.			trans	-154.5	155.7	176.4	0	0	0	0	0	110.9	K666 D709 Q710	K666-A707 HydrophobicContact CG-CB 4.5Å; A707-D709 VanDerWaalsContact C-N 3.27Å; A707-D709 PolarHBondContact O-N 2.85Å; A707-Q710 HydrophobicContact CB-CB 4.32Å; A707-Q710 VanDerWaalsContact O-CG 3.28Å; A707-Q710 WeakPolarHBondContact O-CG 3.43Å
708	P	92.8	Very high	96.4	Very high	145 Å²	145	43.4 Å²	43.4	94%	0.942	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	-28.3	178.5	-22.8	34.5	0	0	0	114.7
709	D	93.9	Very high	96.4	Very high	134 Å²	134	40.4 Å²	40.4	72%	0.717	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108	10.2	-173.8	62.6	-33.9	0	0	0	113.6	A707	A707-D709 VanDerWaalsContact C-N 3.27Å; A707-D709 PolarHBondContact O-N 2.85Å
710	Q	95.9	Very high	96.5	Very high	29 Å²	29	44.1 Å²	44.1	14%	0.136	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-66.1	156.3	178.4	72.2	178.7	10	0	0	112.6	L665 M703 N704 L706 A707	L665-Q710 WeakPolarHBondContact O-CA 3.26Å; M703-Q710 PolarHBondContact O-NE2 3.36Å; M703-Q710 PolarHBondContact O-OE1 2.88Å; N704-Q710 PolarHBondContact O-NE2 2.83Å; L706-Q710 VanDerWaalsContact N-OE1 3.14Å; A707-Q710 HydrophobicContact CB-CB 4.32Å; A707-Q710 VanDerWaalsContact O-CG 3.28Å; A707-Q710 WeakPolarHBondContact O-CG 3.43Å
711	A	96.6	Very high	96.5	Very high	11 Å²	11	44.3 Å²	44.3	9%	0.091	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-67.9	157.3	168.8	0	0	0	0	0	112	L665 G668 I669	L665-A711 HydrophobicContact CD2-CB 4.36Å; L665-A711 WeakPolarHBondContact CD2-O 3.42Å; L665-A711 PolarHBondContact O-N 2.82Å; G668-A711 VanDerWaalsContact C-CB 3.48Å; I669-A711 WeakPolarHBondContact O-CB 3.48Å
712	P	94.7	Very high	96.6	Very high	71 Å²	71	43.7 Å²	43.7	46%	0.461	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-63.9	143.6	176.1	-20.9	33.1	0	0	0	112.2	F393 L665 H670	F393-P712 HydrophobicContact CZ-CB 4.05Å; F393-P712 HydrophobicContact CZ-CG 4.01Å; L665-P712 WeakPolarHBondContact CD2-O 3.43Å; H670-P712 PolarHBondContact CD2-O 3.19Å; H670-P712 VanDerWaalsContact CD2-O 3.26Å
713	Y	98	Very high	96.6	Very high	6 Å²	6	45.1 Å²	45.1	2%	0.024	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	120.2	164.9	179.4	-123.5	0	0	0	110.3	L661 L665 V671 L673 H688 I701 M703 N704 V715	L661-Y713 HydrophobicContact CD1-CE2 4.16Å; L665-Y713 HydrophobicContact CD1-CD2 4.25Å; L665-Y713 HydrophobicContact CD1-CG 4.1Å; V671-Y713 HydrophobicContact CB-CD2 3.88Å; V671-Y713 HydrophobicContact CB-CE2 4.29Å; V671-Y713 HydrophobicContact CG1-CD2 3.88Å; V671-Y713 HydrophobicContact CG1-CE2 3.76Å; V671-Y713 WeakPolarHBondContact O-CD2 3.31Å; L673-Y713 HydrophobicContact CB-CE2 4.45Å; H688-Y713 HydrophobicContact CB-CE1 4.07Å; H688-Y713 AromaticContact ND1-CE1 3.86Å; H688-Y713 AromaticContact ND1-CZ 3.57Å; H688-Y713 PolarHBondContact ND1-OH 2.95Å; I701-Y713 HydrophobicContact CG2-CD1 3.76Å; I701-Y713 HydrophobicContact CG2-CE1 4.21Å; M703-Y713 HydrophobicContact CB-CD1 3.77Å; M703-Y713 HydrophobicContact CB-CE1 4.28Å; M703-Y713 HydrophobicContact CB-CG 4.36Å; M703-Y713 HydrophobicContact CG-CD1 4.08Å; M703-Y713 HydrophobicContact CG-CG 4.23Å; M703-Y713 HydrophobicContact SD-CD1 3.7Å; M703-Y713 HydrophobicContact SD-CD2 3.86Å; M703-Y713 HydrophobicContact SD-CE1 3.79Å; M703-Y713 HydrophobicContact SD-CE2 3.93Å; M703-Y713 HydrophobicContact SD-CG 3.74Å; N704-Y713 PolarHBondContact ND2-O 3.35Å; N704-Y713 WeakPolarHBondContact OD1-CB 3.41Å; N704-Y713 PolarHBondContact OD1-N 3.18Å; N704-Y713 PolarHBondContact OD1-O 3.14Å; Y713-V715 HydrophobicContact CD1-CB 4.41Å; Y713-V715 HydrophobicContact CD1-CG1 4.22Å; Y713-V715 HydrophobicContact CE1-CB 3.58Å; Y713-V715 HydrophobicContact CE1-CG1 3.59Å; Y713-V715 HydrophobicContact CE1-CG2 4.46Å; Y713-V715 WeakPolarHBondContact OH-CB 3.19Å
714	T	97.2	Very high	96.7	Very high	32 Å²	32	45.1 Å²	45.1	20%	0.196	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	106.2	177.3	-53.9	0	0	0	0	109.2	H670 V671 R672 L673	H670-T714 PolarHBondContact NE2-OG1 3.03Å; H670-T714 VanDerWaalsContact NE2-OG1 3.08Å; V671-T714 PolarHBondContact O-N 3Å; R672-T714 CarbonylContact C-O 3.31Å; R672-T714 WeakPolarHBondContact CA-O 3.5Å; R672-T714 HydrophobicContact CG-CG2 4.19Å; L673-T714 PolarHBondContact N-O 3.03Å
715	V	97.9	Very high	96.8	Very high	12 Å²	12	42.2 Å²	42.2	7%	0.073	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	132.2	169.1	60.7	0	0	0	0	109	L673 V678 E679 H688 V689 I701 Y713	L673-V715 HydrophobicContact CB-CG2 4.31Å; L673-V715 HydrophobicContact CD2-CG2 4.17Å; L673-V715 HydrophobicContact CG-CG2 4.36Å; L673-V715 WeakPolarHBondContact O-CA 3.25Å; V678-V715 HydrophobicContact CG2-CG2 4.12Å; E679-V715 HydrophobicContact CB-CG2 4.49Å; E679-V715 HydrophobicContact CG-CG1 4.41Å; E679-V715 HydrophobicContact CG-CG2 3.88Å; H688-V715 HydrophobicContact CB-CG1 4.46Å; V689-V715 HydrophobicContact CG2-CG1 3.54Å; I701-V715 HydrophobicContact CD1-CG1 4.1Å; I701-V715 HydrophobicContact CG2-CG1 4.34Å; Y713-V715 HydrophobicContact CD1-CB 4.41Å; Y713-V715 HydrophobicContact CD1-CG1 4.22Å; Y713-V715 HydrophobicContact CE1-CB 3.58Å; Y713-V715 HydrophobicContact CE1-CG1 3.59Å; Y713-V715 HydrophobicContact CE1-CG2 4.46Å; Y713-V715 WeakPolarHBondContact OH-CB 3.19Å
716	C	95.6	Very high	96.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	128.8	-176.1	50	0	0	0	0	111.7	S431 L673 V678 S718	S431-C716 VanDerWaalsContact CB-CB 3.4Å; S431-C716 WeakPolarHBondContact OG-CB 3.46Å; L673-C716 PolarHBondContact O-N 3.21Å; V678-C716 VanDerWaalsContact CG2-O 3.24Å; V678-C716 WeakPolarHBondContact CG2-O 3.23Å; C716-S718 PolarHBondContact O-N 3.04Å
717	N	98.1	Very high	97	Very high	60 Å²	60	36.8 Å²	36.8	32%	0.321	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	129.7	165.8	-63.8	-35.4	0	0	0	109.8	G675 D677 V678 E679	G675-N717 CarbonylContact O-C 2.92Å; G675-N717 WeakPolarHBondContact O-CA 3.11Å; D677-N717 WeakPolarHBondContact CA-OD1 3.49Å; V678-N717 PolarHBondContact N-OD1 2.72Å; E679-N717 WeakPolarHBondContact CB-OD1 3.45Å; E679-N717 VanDerWaalsContact CD-CG 3.45Å; E679-N717 WeakPolarHBondContact CG-OD1 3.24Å; E679-N717 PolarHBondContact N-OD1 3.16Å; E679-N717 VanDerWaalsContact N-OD1 3.1Å; E679-N717 PolarHBondContact OE1-N 2.85Å; E679-N717 PolarHBondContact OE1-ND2 3.42Å; E679-N717 PolarHBondContact OE2-ND2 2.71Å
718	S	98	Very high	97.2	Very high	18 Å²	18	35.7 Å²	35.7	13%	0.126	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-82.2	166.3	174.7	75.9	0	0	0	0	112.4	Y432 G675 Q676 C716	Y432-S718 WeakPolarHBondContact OH-CA 3.03Å; Y432-S718 WeakPolarHBondContact OH-CB 3.33Å; G675-S718 PolarHBondContact O-N 2.82Å; Q676-S718 PolarHBondContact N-OG 2.61Å; C716-S718 PolarHBondContact O-N 3.04Å
719	S	95.8	Very high	97.4	Very high	14 Å²	14	28.8 Å²	28.8	10%	0.098	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-63.7	167.7	159.2	61.8	0	0	0	0	110.4	L426 S721	L426-S719 WeakPolarHBondContact CD2-OG 3.46Å; S719-S721 PolarHBondContact O-N 2.92Å
720	L	97.8	Very high	97.6	Very high	150 Å²	150	22.7 Å²	22.7	79%	0.785	13%	0.126	S	C	*	.	S	Bend	trans	-80.6	64.2	177.9	-153.5	138.8	0	0	0	110.3
721	S	97.9	Very high	97.7	Very high	8 Å²	8	21.3 Å²	21.3	6%	0.056	12%	0.12	C	C	.	.			trans	-142.7	127.9	-178.7	154	0	0	0	0	107.8	E422 S719 G724 V725	E422-S721 WeakPolarHBondContact OE2-CB 3.48Å; E422-S721 PolarHBondContact OE2-OG 2.71Å; S719-S721 PolarHBondContact O-N 2.92Å; S721-G724 PolarHBondContact OG-N 2.93Å; S721-V725 VanDerWaalsContact O-CB 3.23Å; S721-V725 WeakPolarHBondContact O-CB 3.1Å; S721-V725 WeakPolarHBondContact O-CG2 3.43Å
722	E	98.7	Very high	97.7	Very high	26 Å²	26	21 Å²	21	12%	0.121	12%	0.116	C	C	.	.	S	Bend	trans	-98.9	-37.5	170.1	-54.4	70.7	-149.4	0	0	111.6	Q676 L726 W743 T753 A754	Q676-E722 PolarHBondContact NE2-OE1 3.08Å; E722-L726 WeakPolarHBondContact O-CB 3.45Å; E722-L726 PolarHBondContact O-N 3.02Å; E722-W743 HydrophobicContact CB-CH2 4.31Å; E722-W743 HydrophobicContact CB-CZ2 3.8Å; E722-W743 HydrophobicContact CG-CH2 4.29Å; E722-W743 HydrophobicContact CG-CZ2 3.86Å; E722-T753 WeakPolarHBondContact CB-OG1 3.39Å; E722-T753 WeakPolarHBondContact CG-OG1 3.49Å; E722-T753 PolarHBondContact OE2-OG1 3.26Å; E722-A754 HydrophobicContact CB-CB 4.05Å
723	Y	98.4	Very high	97.9	Very high	33 Å²	33	17.8 Å²	17.8	13%	0.129	10%	0.096	C	C	.	.	H	α-helix	trans	-65.8	-52.2	-176.3	-167.8	-176.6	0	0	0	110.4	A379 I419 G727 C756 I757	A379-Y723 HydrophobicContact CB-CE2 4.42Å; A379-Y723 VanDerWaalsContact CB-OH 3.31Å; A379-Y723 WeakPolarHBondContact CB-OH 3.1Å; I419-Y723 HydrophobicContact CB-CD1 4Å; I419-Y723 HydrophobicContact CB-CE1 3.77Å; I419-Y723 VanDerWaalsContact CD1-C 3.49Å; I419-Y723 HydrophobicContact CD1-CD1 3.79Å; I419-Y723 HydrophobicContact CD1-CD2 3.58Å; I419-Y723 HydrophobicContact CD1-CE1 4.23Å; I419-Y723 HydrophobicContact CD1-CE2 4.03Å; I419-Y723 HydrophobicContact CD1-CG 3.45Å; I419-Y723 VanDerWaalsContact CD1-CG 3.45Å; I419-Y723 HydrophobicContact CG1-CD1 4.17Å; I419-Y723 HydrophobicContact CG1-CD2 4.13Å; I419-Y723 HydrophobicContact CG1-CE1 4.1Å; I419-Y723 HydrophobicContact CG1-CE2 4.05Å; I419-Y723 HydrophobicContact CG1-CG 4.19Å; I419-Y723 HydrophobicContact CG2-CE1 4.43Å; Y723-G727 PolarHBondContact O-N 2.86Å; Y723-C756 HydrophobicContact CE2-CB 3.87Å; Y723-C756 WeakPolarHBondContact OH-CB 3.5Å; Y723-C756 PolarHBondContact OH-SG 3.35Å; Y723-C756 VanDerWaalsContact OH-SG 3.35Å; Y723-I757 HydrophobicContact CD2-CD1 4.04Å; Y723-I757 HydrophobicContact CD2-CG1 3.55Å; Y723-I757 HydrophobicContact CE2-CD1 3.71Å; Y723-I757 HydrophobicContact CE2-CG1 3.62Å
724	G	98.3	Very high	97.6	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-62	-48.6	174.8	0	0	0	0	0	113	P382 I419 E422 S721 G727 F728	P382-G724 WeakPolarHBondContact CB-O 3.2Å; I419-G724 VanDerWaalsContact CD1-CA 3.48Å; I419-G724 VanDerWaalsContact CD1-N 3.27Å; E422-G724 PolarHBondContact OE2-N 2.86Å; S721-G724 PolarHBondContact OG-N 2.93Å; G724-G727 PolarHBondContact O-N 2.93Å; G724-F728 WeakPolarHBondContact O-CB 3.5Å; G724-F728 PolarHBondContact O-N 3.19Å
725	V	98.8	Very high	97.3	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-70.1	-44	-175.1	178.5	0	0	0	0	112.2	L426 Y432 S721 G727 F728 E729	L426-V725 HydrophobicContact CD2-CG2 4.22Å; Y432-V725 HydrophobicContact CE1-CG1 4.16Å; S721-V725 VanDerWaalsContact O-CB 3.23Å; S721-V725 WeakPolarHBondContact O-CB 3.1Å; S721-V725 WeakPolarHBondContact O-CG2 3.43Å; V725-G727 VanDerWaalsContact C-N 3.32Å; V725-G727 PolarHBondContact O-N 2.92Å; V725-F728 WeakPolarHBondContact O-CB 3.33Å; V725-F728 PolarHBondContact O-N 3.21Å; V725-F728 VanDerWaalsContact O-N 3.12Å; V725-E729 HydrophobicContact CG1-CG 4.38Å; V725-E729 WeakPolarHBondContact O-CG 3.47Å; V725-E729 PolarHBondContact O-N 2.86Å
726	L	98.8	Very high	97	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-65.2	-38	178	-178.2	59.9	0	0	0	111.3	E722 F728 E729 L730 W743 A754 I757 I758 I762 I775 L777	E722-L726 WeakPolarHBondContact O-CB 3.45Å; E722-L726 PolarHBondContact O-N 3.02Å; L726-F728 VanDerWaalsContact C-N 3.3Å; L726-F728 PolarHBondContact O-N 2.92Å; L726-E729 PolarHBondContact O-N 2.76Å; L726-L730 WeakPolarHBondContact O-CB 3.27Å; L726-L730 PolarHBondContact O-N 2.85Å; L726-W743 HydrophobicContact CB-CD2 4.35Å; L726-W743 HydrophobicContact CD1-CB 3.97Å; L726-W743 HydrophobicContact CD1-CD2 3.76Å; L726-W743 HydrophobicContact CD1-CE3 3.89Å; L726-W743 HydrophobicContact CD1-CG 3.81Å; L726-A754 HydrophobicContact CB-CB 4.06Å; L726-A754 HydrophobicContact CD2-CB 3.63Å; L726-A754 HydrophobicContact CG-CB 4.46Å; L726-I757 HydrophobicContact CD2-CB 4.35Å; L726-I757 HydrophobicContact CD2-CG2 4.24Å; L726-I757 HydrophobicContact CG-CB 4.44Å; L726-I757 HydrophobicContact CG-CG2 3.96Å; L726-I758 HydrophobicContact CD2-CD1 4.31Å; L726-I758 HydrophobicContact CD2-CG1 3.93Å; L726-I762 HydrophobicContact CD1-CD1 4.1Å; L726-I762 HydrophobicContact CD2-CD1 3.97Å; L726-I762 HydrophobicContact CG-CD1 4.13Å; L726-I775 HydrophobicContact CD1-CD1 3.78Å; L726-L777 HydrophobicContact CD1-CD1 4.2Å; L726-L777 HydrophobicContact CD1-CD2 4.46Å; L726-L777 HydrophobicContact CD1-CG 4.23Å; L726-L777 HydrophobicContact CD2-CD2 4.36Å
727	G	98.6	Very high	96.9	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-59.2	-42.4	171.5	0	0	0	0	0	112	V383 Y723 G724 V725 L730 G731	V383-G727 VanDerWaalsContact CA-O 3.27Å; V383-G727 WeakPolarHBondContact CA-O 3.5Å; Y723-G727 PolarHBondContact O-N 2.86Å; G724-G727 PolarHBondContact O-N 2.93Å; V725-G727 VanDerWaalsContact C-N 3.32Å; V725-G727 PolarHBondContact O-N 2.92Å; G727-L730 WeakPolarHBondContact O-CB 3.25Å; G727-L730 PolarHBondContact O-N 3.03Å; G727-G731 PolarHBondContact O-N 2.76Å; G727-G731 VanDerWaalsContact O-N 3.08Å
728	F	98.8	Very high	96.6	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-62.6	-50.7	176.1	-170	-79.5	0	0	0	112.2	P382 Q385 G386 K389 L426 Y432 G724 V725 L726 L730 G731 F732	P382-F728 VanDerWaalsContact O-CA 3.3Å; P382-F728 WeakPolarHBondContact O-CA 3.29Å; Q385-F728 HydrophobicContact CB-CD2 3.82Å; Q385-F728 HydrophobicContact CB-CE2 3.9Å; G386-F728 WeakPolarHBondContact CA-O 3.21Å; K389-F728 HydrophobicContact CB-CE1 4.09Å; K389-F728 HydrophobicContact CB-CE2 4.26Å; K389-F728 HydrophobicContact CB-CZ 3.44Å; K389-F728 VanDerWaalsContact CB-CZ 3.44Å; K389-F728 HydrophobicContact CG-CE1 4.23Å; K389-F728 HydrophobicContact CG-CZ 3.74Å; L426-F728 HydrophobicContact CD1-CB 4.39Å; L426-F728 HydrophobicContact CD1-CD2 4.22Å; Y432-F728 AromaticContact CD1-CD1 3.81Å; Y432-F728 HydrophobicContact CD1-CD1 3.81Å; Y432-F728 HydrophobicContact CD1-CD2 4.28Å; Y432-F728 AromaticContact CD1-CE1 3.85Å; Y432-F728 HydrophobicContact CD1-CE1 3.85Å; Y432-F728 HydrophobicContact CD1-CE2 4.3Å; Y432-F728 HydrophobicContact CD1-CG 4.03Å; Y432-F728 HydrophobicContact CD1-CZ 4.08Å; Y432-F728 HydrophobicContact CE1-CD1 4.25Å; Y432-F728 VanDerWaalsContact O-CE2 3.22Å; Y432-F728 WeakPolarHBondContact O-CE2 3.46Å; Y432-F728 WeakPolarHBondContact O-CZ 3.35Å; G724-F728 WeakPolarHBondContact O-CB 3.5Å; G724-F728 PolarHBondContact O-N 3.19Å; V725-F728 WeakPolarHBondContact O-CB 3.33Å; V725-F728 PolarHBondContact O-N 3.21Å; V725-F728 VanDerWaalsContact O-N 3.12Å; L726-F728 VanDerWaalsContact C-N 3.3Å; L726-F728 PolarHBondContact O-N 2.92Å; F728-L730 VanDerWaalsContact C-N 3.28Å; F728-L730 PolarHBondContact O-N 2.87Å; F728-G731 PolarHBondContact O-N 3.29Å; F728-G731 VanDerWaalsContact O-N 3.12Å; F728-F732 HydrophobicContact CE1-CD2 4.25Å; F728-F732 PolarHBondContact O-N 3.33Å
729	E	98.8	Very high	96.6	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-65.1	-33.6	-179.6	-61.1	-50.2	145.5	0	0	112.3	R672 S674 V725 L726 F732 A733 I741 W743 I775	R672-E729 WeakPolarHBondContact CD-OE2 3.38Å; R672-E729 IonicContact CZ-OE1 3.81Å; R672-E729 IonicContact CZ-OE2 2.71Å; R672-E729 IonicContact NE-OE1 3.29Å; R672-E729 PolarHBondContact NE-OE1 3.48Å; R672-E729 IonicContact NE-OE2 3.58Å; R672-E729 PolarHBondContact NE-OE2 2.9Å; R672-E729 IonicContact NH2-OE1 2.92Å; R672-E729 PolarHBondContact NH2-OE1 3.03Å; R672-E729 IonicContact NH2-OE2 3.64Å; S674-E729 WeakPolarHBondContact CB-OE1 3.05Å; S674-E729 VanDerWaalsContact OG-CD 3.31Å; S674-E729 PolarHBondContact OG-OE1 3.32Å; V725-E729 HydrophobicContact CG1-CG 4.38Å; V725-E729 WeakPolarHBondContact O-CG 3.47Å; V725-E729 PolarHBondContact O-N 2.86Å; L726-E729 PolarHBondContact O-N 2.76Å; E729-F732 PolarHBondContact O-N 3.25Å; E729-A733 WeakPolarHBondContact O-CB 3.34Å; E729-A733 PolarHBondContact O-N 2.94Å; E729-I741 HydrophobicContact CB-CG2 4.24Å; E729-W743 HydrophobicContact CB-CB 4.32Å; E729-W743 HydrophobicContact CG-CB 4.3Å; E729-I775 HydrophobicContact CB-CD1 4.11Å
730	L	98.1	Very high	96.7	Very high	7 Å²	7	18.4 Å²	18.4	4%	0.037	10%	0.101	C	C	.	.	H	α-helix	trans	-58.6	-50	171	169.2	71.8	0	0	0	111	V383 L726 G727 F728 F732 A733 M734 I757 F761 I762 N773 I775	V383-L730 HydrophobicContact CG1-CD2 4.27Å; V383-L730 HydrophobicContact CG1-CG 4.44Å; V383-L730 HydrophobicContact CG2-CD2 3.95Å; L726-L730 WeakPolarHBondContact O-CB 3.27Å; L726-L730 PolarHBondContact O-N 2.85Å; G727-L730 WeakPolarHBondContact O-CB 3.25Å; G727-L730 PolarHBondContact O-N 3.03Å; F728-L730 VanDerWaalsContact C-N 3.28Å; F728-L730 PolarHBondContact O-N 2.87Å; L730-F732 VanDerWaalsContact C-N 3.31Å; L730-F732 PolarHBondContact O-N 2.81Å; L730-A733 PolarHBondContact O-N 2.76Å; L730-M734 WeakPolarHBondContact O-CG 3.38Å; L730-M734 PolarHBondContact O-N 3.29Å; L730-I757 HydrophobicContact CD2-CG2 3.89Å; L730-F761 HydrophobicContact CD2-CB 3.27Å; L730-F761 HydrophobicContact CD2-CD1 3.97Å; L730-F761 HydrophobicContact CD2-CG 3.73Å; L730-I762 HydrophobicContact CD1-CG1 4.1Å; L730-N773 WeakPolarHBondContact CD1-ND2 3.33Å; L730-N773 PolarHBondContact O-ND2 3.32Å; L730-N773 VanDerWaalsContact O-ND2 3.08Å; L730-I775 HydrophobicContact CB-CD1 4.28Å
731	G	97	Very high	96.7	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-59.1	-42.2	176.7	0	0	0	0	0	112.4	V383 K387 G727 F728 A733 M734	V383-G731 VanDerWaalsContact O-CA 3.28Å; V383-G731 WeakPolarHBondContact O-CA 3.24Å; K387-G731 WeakPolarHBondContact CA-O 3.34Å; K387-G731 VanDerWaalsContact N-C 3.34Å; G727-G731 PolarHBondContact O-N 2.76Å; G727-G731 VanDerWaalsContact O-N 3.08Å; F728-G731 PolarHBondContact O-N 3.29Å; F728-G731 VanDerWaalsContact O-N 3.12Å; G731-A733 VanDerWaalsContact C-N 3.33Å; G731-A733 PolarHBondContact O-N 3.36Å; G731-M734 WeakPolarHBondContact O-CB 3.45Å; G731-M734 PolarHBondContact O-N 3.33Å; G731-M734 VanDerWaalsContact O-N 3.14Å
732	F	97.6	Very high	96.8	Very high	3 Å²	3	11 Å²	11	1%	0.013	6%	0.062	C	C	.	.	H	α-helix	trans	-61.1	-43.9	177.7	-160.3	-69.4	0	0	0	111.3	G386 K389 A390 F393 Y394 H670 F728 E729 L730 M734 A735 I741	G386-F732 WeakPolarHBondContact O-CA 3.48Å; K389-F732 HydrophobicContact CB-CD2 4.28Å; K389-F732 HydrophobicContact CB-CE2 4.38Å; K389-F732 HydrophobicContact CG-CD2 4.23Å; K389-F732 HydrophobicContact CG-CE2 3.95Å; A390-F732 HydrophobicContact CB-CB 4.31Å; A390-F732 HydrophobicContact CB-CD1 3.8Å; A390-F732 HydrophobicContact CB-CD2 3.78Å; A390-F732 HydrophobicContact CB-CE1 3.94Å; A390-F732 HydrophobicContact CB-CE2 3.93Å; A390-F732 HydrophobicContact CB-CG 3.71Å; A390-F732 HydrophobicContact CB-CZ 4Å; F393-F732 HydrophobicContact CB-CZ 4.27Å; F393-F732 HydrophobicContact CD1-CZ 4.49Å; F393-F732 HydrophobicContact CG-CZ 4.32Å; Y394-F732 HydrophobicContact CE2-CE1 4.34Å; H670-F732 AromaticContact CE1-CE1 3.66Å; H670-F732 AromaticContact CE1-CZ 3.75Å; F728-F732 HydrophobicContact CE1-CD2 4.25Å; F728-F732 PolarHBondContact O-N 3.33Å; E729-F732 PolarHBondContact O-N 3.25Å; L730-F732 VanDerWaalsContact C-N 3.31Å; L730-F732 PolarHBondContact O-N 2.81Å; F732-M734 PolarHBondContact O-N 3.05Å; F732-A735 PolarHBondContact O-N 3.1Å; F732-I741 HydrophobicContact CD1-CD1 3.48Å; F732-I741 VanDerWaalsContact CD1-CD1 3.48Å; F732-I741 HydrophobicContact CD1-CG1 4.05Å; F732-I741 HydrophobicContact CE1-CD1 3.72Å
733	A	97.1	Very high	96.8	Very high	4 Å²	4	10 Å²	10	3%	0.033	6%	0.057	C	C	.	.	H	α-helix	trans	-66.1	-14.1	178	0	0	0	0	0	114.3	E729 L730 G731 I741 N773 I775	E729-A733 WeakPolarHBondContact O-CB 3.34Å; E729-A733 PolarHBondContact O-N 2.94Å; L730-A733 PolarHBondContact O-N 2.76Å; G731-A733 VanDerWaalsContact C-N 3.33Å; G731-A733 PolarHBondContact O-N 3.36Å; A733-I741 HydrophobicContact CB-CB 3.89Å; A733-I741 HydrophobicContact CB-CG1 3.85Å; A733-I741 HydrophobicContact CB-CG2 4.23Å; A733-N773 VanDerWaalsContact CB-OD1 3.3Å; A733-N773 WeakPolarHBondContact CB-OD1 3.21Å; A733-I775 HydrophobicContact CB-CB 4.13Å
734	M	92.6	Very high	96.8	Very high	15 Å²	15	8.8 Å²	8.8	7%	0.074	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-20.4	176.8	-65.1	171	69	0	0	113.5	V371 V383 D586 S587 W589 L730 G731 F732 N773	V371-M734 HydrophobicContact CG1-CE 4.37Å; V383-M734 HydrophobicContact CG1-SD 3.76Å; D586-M734 VanDerWaalsContact OD1-CE 3.24Å; D586-M734 WeakPolarHBondContact OD1-CE 3.32Å; S587-M734 VanDerWaalsContact CB-O 3.25Å; S587-M734 WeakPolarHBondContact CB-O 3.35Å; S587-M734 PolarHBondContact OG-O 3.18Å; S587-M734 VanDerWaalsContact OG-O 3.11Å; W589-M734 PolarHBondContact NE1-O 3.44Å; L730-M734 WeakPolarHBondContact O-CG 3.38Å; L730-M734 PolarHBondContact O-N 3.29Å; G731-M734 WeakPolarHBondContact O-CB 3.45Å; G731-M734 PolarHBondContact O-N 3.33Å; G731-M734 VanDerWaalsContact O-N 3.14Å; F732-M734 PolarHBondContact O-N 3.05Å; M734-N773 WeakPolarHBondContact CG-ND2 3.32Å
735	A	90.9	Very high	96.8	Very high	18 Å²	18	8.9 Å²	8.9	15%	0.149	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-42.1	-170.4	0	0	0	0	0	112.8	A390 Y394 W589 F732	A390-A735 HydrophobicContact CB-CB 3.41Å; A390-A735 VanDerWaalsContact CB-CB 3.41Å; Y394-A735 HydrophobicContact CD2-CB 4.11Å; Y394-A735 HydrophobicContact CE2-CB 4.11Å; W589-A735 PolarHBondContact NE1-O 3.25Å; F732-A735 PolarHBondContact O-N 3.1Å
736	S	91.9	Very high	96.8	Very high	22 Å²	22	11.3 Å²	11.3	15%	0.154	7%	0.065	C	C	.	.			trans	-128.9	129.7	-176.1	-178.6	0	0	0	0	111.9	Y394 N738	Y394-S736 VanDerWaalsContact CZ-CB 3.46Å; S736-N738 PolarHBondContact O-N 3.4Å; S736-N738 PolarHBondContact OG-N 2.97Å; S736-N738 VanDerWaalsContact OG-N 3.13Å
737	P	92.1	Very high	96.8	Very high	13 Å²	13	12.2 Å²	12.2	8%	0.084	7%	0.068	C	C	.	.	S	Bend	trans	-72.3	-19.6	169.5	29.8	-30.4	0	0	0	111.4	W589 F592 A739 R850	W589-P737 HydrophobicContact CB-CG 4.12Å; W589-P737 HydrophobicContact CD2-CB 3.69Å; W589-P737 HydrophobicContact CD2-CG 3.88Å; W589-P737 HydrophobicContact CE3-CB 3.6Å; W589-P737 HydrophobicContact CE3-CG 4.18Å; W589-P737 HydrophobicContact CG-CB 4.24Å; W589-P737 HydrophobicContact CG-CG 3.87Å; W589-P737 HydrophobicContact CH2-CB 4.25Å; W589-P737 HydrophobicContact CZ2-CB 4.33Å; W589-P737 HydrophobicContact CZ3-CB 3.89Å; F592-P737 HydrophobicContact CB-CG 4.11Å; F592-P737 HydrophobicContact CD1-CB 4.05Å; F592-P737 HydrophobicContact CD1-CG 4.41Å; F592-P737 HydrophobicContact CD2-CB 3.76Å; F592-P737 HydrophobicContact CD2-CG 3.75Å; F592-P737 HydrophobicContact CE1-CB 4.07Å; F592-P737 HydrophobicContact CE2-CB 3.8Å; F592-P737 HydrophobicContact CE2-CG 4.28Å; F592-P737 HydrophobicContact CG-CB 3.89Å; F592-P737 HydrophobicContact CG-CG 3.84Å; F592-P737 HydrophobicContact CZ-CB 3.97Å; P737-A739 VanDerWaalsContact C-N 3.3Å; P737-A739 PolarHBondContact O-N 3.42Å; P737-R850 HydrophobicContact CB-CG 4.47Å; P737-R850 PolarHBondContact O-NE 2.68Å; P737-R850 PolarHBondContact O-NH2 2.93Å
738	N	93.5	Very high	96.8	Very high	81 Å²	81	12.2 Å²	12.2	43%	0.433	7%	0.068	S	C	.	.	S	Bend	trans	-98.9	43.7	-173.7	-60.9	-34.9	0	0	0	111.3	I669 S736	I669-N738 HydrophobicContact CD1-CB 4.22Å; S736-N738 PolarHBondContact O-N 3.4Å; S736-N738 PolarHBondContact OG-N 2.97Å; S736-N738 VanDerWaalsContact OG-N 3.13Å
739	A	96.4	Very high	96.8	Very high	6 Å²	6	12.4 Å²	12.4	5%	0.05	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	143.4	177.2	0	0	0	0	0	111.3	Y394 H670 P737 I741 I845	Y394-A739 WeakPolarHBondContact OH-CB 3.36Å; H670-A739 HydrophobicContact CB-CB 4.14Å; H670-A739 CarbonylContact O-C 3.23Å; H670-A739 VanDerWaalsContact O-CA 3.22Å; H670-A739 WeakPolarHBondContact O-CA 3.24Å; P737-A739 VanDerWaalsContact C-N 3.3Å; P737-A739 PolarHBondContact O-N 3.42Å; A739-I741 HydrophobicContact CB-CD1 4.03Å; A739-I845 VanDerWaalsContact C-CD1 3.5Å; A739-I845 WeakPolarHBondContact O-CD1 3.27Å
740	L	98.6	Very high	96.8	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.005	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	108.4	174.2	-172.7	67.3	0	0	0	108.6	L661 L664 H670 V671 R672 L742 V776 Q844 I845	L661-L740 HydrophobicContact CD2-CD2 3.62Å; L664-L740 HydrophobicContact CD1-CB 4.42Å; L664-L740 HydrophobicContact CD1-CD2 3.65Å; H670-L740 PolarHBondContact O-N 3.44Å; V671-L740 WeakPolarHBondContact CA-O 3.46Å; V671-L740 HydrophobicContact CG1-CD2 4.5Å; V671-L740 HydrophobicContact CG2-CB 4.18Å; R672-L740 PolarHBondContact N-O 3.07Å; L740-L742 HydrophobicContact CD2-CD1 3.91Å; L740-L742 HydrophobicContact CD2-CD2 4.49Å; L740-L742 HydrophobicContact CD2-CG 4.47Å; L740-L742 HydrophobicContact CG-CD1 3.73Å; L740-L742 HydrophobicContact CG-CG 4.18Å; L740-V776 HydrophobicContact CD1-CG2 3.75Å; L740-Q844 HydrophobicContact CD1-CB 3.86Å; L740-Q844 HydrophobicContact CD1-CG 4.39Å; L740-I845 HydrophobicContact CB-CD1 3.92Å; L740-I845 HydrophobicContact CB-CG1 4.14Å; L740-I845 HydrophobicContact CD1-CD1 4.27Å; L740-I845 HydrophobicContact CD1-CG1 4.29Å
741	I	98.7	Very high	96.8	Very high	2 Å²	2	14.3 Å²	14.3	1%	0.01	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	118.4	-179.7	-49.5	-55	0	0	0	108.4	R672 E729 F732 A733 A739 V776	R672-I741 HydrophobicContact CB-CD1 3.67Å; E729-I741 HydrophobicContact CB-CG2 4.24Å; F732-I741 HydrophobicContact CD1-CD1 3.48Å; F732-I741 VanDerWaalsContact CD1-CD1 3.48Å; F732-I741 HydrophobicContact CD1-CG1 4.05Å; F732-I741 HydrophobicContact CE1-CD1 3.72Å; A733-I741 HydrophobicContact CB-CB 3.89Å; A733-I741 HydrophobicContact CB-CG1 3.85Å; A733-I741 HydrophobicContact CB-CG2 4.23Å; A739-I741 HydrophobicContact CB-CD1 4.03Å; I741-V776 PolarHBondContact O-N 3.15Å
742	L	98.9	Very high	96.8	Very high	1 Å²	1	17 Å²	17	1%	0.005	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	130.7	-177.6	-51.9	98.6	0	0	0	110.2	L661 V671 R672 L673 S674 L740 V776 L778 L841	L661-L742 HydrophobicContact CD2-CD1 4.29Å; V671-L742 HydrophobicContact CG1-CD1 3.8Å; R672-L742 WeakPolarHBondContact O-CD1 3.36Å; R672-L742 PolarHBondContact O-N 3.44Å; L673-L742 HydrophobicContact CD1-CB 3.76Å; S674-L742 PolarHBondContact N-O 2.82Å; L740-L742 HydrophobicContact CD2-CD1 3.91Å; L740-L742 HydrophobicContact CD2-CD2 4.49Å; L740-L742 HydrophobicContact CD2-CG 4.47Å; L740-L742 HydrophobicContact CG-CD1 3.73Å; L740-L742 HydrophobicContact CG-CG 4.18Å; L742-V776 WeakPolarHBondContact CA-O 3.43Å; L742-V776 HydrophobicContact CB-CB 4.45Å; L742-V776 HydrophobicContact CD2-CB 4.25Å; L742-V776 HydrophobicContact CD2-CG1 4.23Å; L742-V776 HydrophobicContact CG-CB 4.1Å; L742-L778 HydrophobicContact CB-CD1 4.39Å; L742-L778 HydrophobicContact CD2-CD1 3.9Å; L742-L778 HydrophobicContact CD2-CD2 4.38Å; L742-L778 HydrophobicContact CD2-CG 4.34Å; L742-L841 HydrophobicContact CD2-CD2 3.96Å
743	W	98.9	Very high	96.8	Very high	4 Å²	4	20.2 Å²	20.2	2%	0.015	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	126.9	165.9	178.9	82.4	0	0	0	109.4	S674 E722 L726 E729 A745 H751 V776 L777 L778 L779	S674-W743 CarbonylContact O-C 3.58Å; S674-W743 VanDerWaalsContact O-CA 3.3Å; S674-W743 WeakPolarHBondContact O-CA 3.46Å; E722-W743 HydrophobicContact CB-CH2 4.31Å; E722-W743 HydrophobicContact CB-CZ2 3.8Å; E722-W743 HydrophobicContact CG-CH2 4.29Å; E722-W743 HydrophobicContact CG-CZ2 3.86Å; L726-W743 HydrophobicContact CB-CD2 4.35Å; L726-W743 HydrophobicContact CD1-CB 3.97Å; L726-W743 HydrophobicContact CD1-CD2 3.76Å; L726-W743 HydrophobicContact CD1-CE3 3.89Å; L726-W743 HydrophobicContact CD1-CG 3.81Å; E729-W743 HydrophobicContact CB-CB 4.32Å; E729-W743 HydrophobicContact CG-CB 4.3Å; W743-A745 HydrophobicContact CH2-CB 3.61Å; W743-A745 HydrophobicContact CZ2-CB 4.37Å; W743-A745 HydrophobicContact CZ3-CB 3.78Å; W743-H751 HydrophobicContact CH2-CB 4.41Å; W743-H751 HydrophobicContact CZ3-CB 4.41Å; W743-V776 PolarHBondContact N-O 3.41Å; W743-L777 HydrophobicContact CE3-CG 4.14Å; W743-L777 WeakPolarHBondContact O-CA 3.37Å; W743-L778 PolarHBondContact O-N 2.97Å; W743-L779 HydrophobicContact CZ3-CD2 3.86Å
744	E	98.9	Very high	96.9	Very high	8 Å²	8	20 Å²	20	4%	0.037	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	124.7	177.1	-176.5	172	-107.7	0	0	111.2	L673 S674 V678 R686 L778	L673-E744 HydrophobicContact CD1-CB 4.42Å; S674-E744 PolarHBondContact O-N 3.35Å; V678-E744 HydrophobicContact CG1-CB 3.77Å; V678-E744 HydrophobicContact CG1-CG 4.39Å; R686-E744 IonicContact CZ-OE1 2.75Å; R686-E744 IonicContact CZ-OE2 3.38Å; R686-E744 IonicContact NH1-OE1 3.24Å; R686-E744 IonicContact NH1-OE2 3.05Å; R686-E744 PolarHBondContact NH1-OE2 2.86Å; R686-E744 IonicContact NH2-OE1 3.48Å; R686-E744 PolarHBondContact NH2-OE1 2.89Å; R686-E744 IonicContact NH2-OE2 3.12Å; R686-E744 PolarHBondContact NH2-OE2 3.07Å; E744-L778 WeakPolarHBondContact CA-O 3.48Å; E744-L778 HydrophobicContact CB-CB 3.91Å; E744-L778 HydrophobicContact CB-CD1 4.26Å; E744-L778 HydrophobicContact CG-CB 3.9Å
745	A	98.8	Very high	97.2	Very high	2 Å²	2	20.7 Å²	20.7	2%	0.017	11%	0.113	C	C	.	.			trans	-75.7	143.4	168.3	0	0	0	0	0	109.8	W743 F747 L778 L779 P780	W743-A745 HydrophobicContact CH2-CB 3.61Å; W743-A745 HydrophobicContact CZ2-CB 4.37Å; W743-A745 HydrophobicContact CZ3-CB 3.78Å; A745-F747 VanDerWaalsContact C-N 3.3Å; A745-F747 VanDerWaalsContact CB-O 3.25Å; A745-F747 WeakPolarHBondContact CB-O 3.44Å; A745-F747 PolarHBondContact O-N 3.28Å; A745-L778 PolarHBondContact N-O 2.68Å; A745-L779 HydrophobicContact CB-CD2 3.89Å; A745-P780 WeakPolarHBondContact O-CD 3.47Å; A745-P780 WeakPolarHBondContact O-CG 3.37Å
746	Q	98.4	Very high	97.5	Very high	51 Å²	51	21 Å²	21	24%	0.238	11%	0.114	C	C	.	.	S	Bend	trans	-59.1	-45.3	178.2	-168.6	-177.9	72.2	0	0	111.4	Q676 D677 T682 F750	Q676-Q746 HydrophobicContact CB-CB 4.36Å; D677-Q746 PolarHBondContact OD2-NE2 3.15Å; D677-Q746 VanDerWaalsContact OD2-NE2 3.11Å; T682-Q746 HydrophobicContact CG2-CG 3.57Å; T682-Q746 WeakPolarHBondContact OG1-CG 3.25Å; T682-Q746 PolarHBondContact OG1-O 3.29Å; Q746-F750 HydrophobicContact CB-CD2 4.23Å; Q746-F750 HydrophobicContact CB-CE2 4.38Å
747	F	98.7	Very high	97.9	Very high	19 Å²	19	19.9 Å²	19.9	8%	0.083	11%	0.106	C	C	.	.	S	Bend	trans	-128.5	147.3	160.5	-78.3	-97.9	0	0	0	108.1	T682 F683 A745 D749 F750 M786 H790 K859	T682-F747 HydrophobicContact CG2-CE2 3.96Å; F683-F747 AromaticContact CE1-CE1 3.78Å; F683-F747 HydrophobicContact CE1-CE1 3.78Å; F683-F747 HydrophobicContact CE1-CE2 4.4Å; F683-F747 AromaticContact CE1-CZ 3.6Å; F683-F747 HydrophobicContact CE1-CZ 3.6Å; F683-F747 HydrophobicContact CZ-CD1 4.31Å; F683-F747 AromaticContact CZ-CE1 3.8Å; F683-F747 HydrophobicContact CZ-CE1 3.8Å; F683-F747 HydrophobicContact CZ-CE2 4.42Å; F683-F747 AromaticContact CZ-CZ 3.87Å; F683-F747 HydrophobicContact CZ-CZ 3.87Å; A745-F747 VanDerWaalsContact C-N 3.3Å; A745-F747 VanDerWaalsContact CB-O 3.25Å; A745-F747 WeakPolarHBondContact CB-O 3.44Å; A745-F747 PolarHBondContact O-N 3.28Å; F747-D749 PolarHBondContact O-N 3.16Å; F747-D749 VanDerWaalsContact O-N 3.07Å; F747-F750 HydrophobicContact CB-CD2 4.09Å; F747-F750 HydrophobicContact CB-CE2 3.9Å; F747-F750 HydrophobicContact CB-CZ 4.41Å; F747-F750 HydrophobicContact CD2-CE2 4.08Å; F747-F750 HydrophobicContact CG-CE2 4.43Å; F747-F750 PolarHBondContact O-N 3.26Å; F747-F750 VanDerWaalsContact O-N 3.13Å; F747-M786 HydrophobicContact CD1-CE 4.44Å; F747-M786 HydrophobicContact CE1-CE 3.39Å; F747-M786 HydrophobicContact CZ-CE 3.72Å; F747-H790 HydrophobicContact CD1-CB 3.87Å; F747-H790 AromaticContact CD1-CD2 3.88Å; F747-H790 AromaticContact CD2-CD2 3.62Å; F747-H790 HydrophobicContact CE1-CB 3.91Å; F747-H790 AromaticContact CE1-CD2 3.84Å; F747-H790 AromaticContact CE2-CD2 3.58Å; F747-H790 HydrophobicContact CG-CB 4.48Å; F747-H790 AromaticContact CG-CD2 3.77Å; F747-H790 AromaticContact CZ-CD2 3.69Å; F747-K859 HydrophobicContact CD1-CD 3.94Å; F747-K859 HydrophobicContact CE1-CD 3.7Å
748	G	98.6	Very high	98.2	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-57.5	-27.1	179.7	0	0	0	0	0	112.4	F750 H751 P780	G748-F750 PolarHBondContact O-N 3.39Å; G748-H751 PolarHBondContact O-N 3.39Å; G748-H751 PolarHBondContact O-ND1 3.03Å; G748-P780 WeakPolarHBondContact CA-O 3.38Å; G748-P780 PolarHBondContact N-O 2.96Å
749	D	98.6	Very high	98.4	Very high	3 Å²	3	18 Å²	18	2%	0.016	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-56.3	-31.5	178.4	-52.6	-114.6	0	0	0	113.4	F747 H751 N752 E789 H790 S791 S792	F747-D749 PolarHBondContact O-N 3.16Å; F747-D749 VanDerWaalsContact O-N 3.07Å; D749-H751 PolarHBondContact O-N 2.94Å; D749-N752 VanDerWaalsContact O-CG 3.31Å; D749-N752 PolarHBondContact O-ND2 3.34Å; D749-N752 PolarHBondContact O-OD1 2.9Å; D749-E789 WeakPolarHBondContact CB-O 3.03Å; D749-E789 VanDerWaalsContact OD1-C 3.25Å; D749-H790 PolarHBondContact OD1-N 3.27Å; D749-H790 WeakPolarHBondContact OD2-CA 3.47Å; D749-S791 PolarHBondContact OD1-N 2.87Å; D749-S791 PolarHBondContact OD2-N 3.45Å; D749-S792 VanDerWaalsContact CA-O 3.31Å; D749-S792 WeakPolarHBondContact CA-O 3.35Å; D749-S792 VanDerWaalsContact CG-O 3.23Å; D749-S792 PolarHBondContact OD1-N 3.15Å; D749-S792 PolarHBondContact OD2-N 3.44Å
750	F	98.6	Very high	98.4	Very high	47 Å²	47	19.8 Å²	19.8	21%	0.206	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-82.8	-6.3	-173.2	-54	-38.6	0	0	0	115	Q746 F747 G748 N752 T753	Q746-F750 HydrophobicContact CB-CD2 4.23Å; Q746-F750 HydrophobicContact CB-CE2 4.38Å; F747-F750 HydrophobicContact CB-CD2 4.09Å; F747-F750 HydrophobicContact CB-CE2 3.9Å; F747-F750 HydrophobicContact CB-CZ 4.41Å; F747-F750 HydrophobicContact CD2-CE2 4.08Å; F747-F750 HydrophobicContact CG-CE2 4.43Å; F747-F750 PolarHBondContact O-N 3.26Å; F747-F750 VanDerWaalsContact O-N 3.13Å; G748-F750 PolarHBondContact O-N 3.39Å; F750-N752 PolarHBondContact O-N 3.04Å; F750-N752 PolarHBondContact O-OD1 3.49Å; F750-T753 PolarHBondContact O-N 3.38Å; F750-T753 PolarHBondContact O-OG1 2.92Å
751	H	98.1	Very high	98.3	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-59.3	-21.5	176.9	76.8	-85.7	0	0	0	113.3	W743 G748 D749 T753 A754 I758 L779 A793 F798	W743-H751 HydrophobicContact CH2-CB 4.41Å; W743-H751 HydrophobicContact CZ3-CB 4.41Å; G748-H751 PolarHBondContact O-N 3.39Å; G748-H751 PolarHBondContact O-ND1 3.03Å; D749-H751 PolarHBondContact O-N 2.94Å; H751-T753 PolarHBondContact O-N 3.02Å; H751-A754 PolarHBondContact O-N 3.36Å; H751-I758 HydrophobicContact CB-CD1 4.32Å; H751-L779 HydrophobicContact CB-CD2 3.9Å; H751-A793 PolarHBondContact CE1-O 3.06Å; H751-F798 AromaticContact CD2-CE2 3.82Å; H751-F798 AromaticContact CD2-CZ 3.64Å; H751-F798 AromaticContact CE1-CE2 3.94Å; H751-F798 AromaticContact NE2-CE2 3.63Å; H751-F798 AromaticContact NE2-CZ 3.93Å
752	N	97.6	Very high	98.3	Very high	58 Å²	58	20.5 Å²	20.5	31%	0.31	11%	0.106	S	C	.	.	G	3₁₀ helix	trans	-64.8	-20.9	-176.8	62.1	-1.6	0	0	0	113.4	D749 F750 A754 Q755	D749-N752 VanDerWaalsContact O-CG 3.31Å; D749-N752 PolarHBondContact O-ND2 3.34Å; D749-N752 PolarHBondContact O-OD1 2.9Å; F750-N752 PolarHBondContact O-N 3.04Å; F750-N752 PolarHBondContact O-OD1 3.49Å; N752-A754 PolarHBondContact O-N 3.01Å; N752-Q755 WeakPolarHBondContact O-CB 3.49Å; N752-Q755 PolarHBondContact O-N 3.41Å
753	T	97.9	Very high	98.2	Very high	69 Å²	69	21.3 Å²	21.3	42%	0.423	11%	0.112	S	C	.	.	G	3₁₀ helix	trans	-71.1	-24	173.1	58.8	0	0	0	0	111.4	E722 F750 H751	E722-T753 WeakPolarHBondContact CB-OG1 3.39Å; E722-T753 WeakPolarHBondContact CG-OG1 3.49Å; E722-T753 PolarHBondContact OE2-OG1 3.26Å; F750-T753 PolarHBondContact O-N 3.38Å; F750-T753 PolarHBondContact O-OG1 2.92Å; H751-T753 PolarHBondContact O-N 3.02Å
754	A	98.4	Very high	98	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-98.8	18.9	175.2	0	0	0	0	0	113.7	E722 L726 H751 N752 C756 I757 I758	E722-A754 HydrophobicContact CB-CB 4.05Å; L726-A754 HydrophobicContact CB-CB 4.06Å; L726-A754 HydrophobicContact CD2-CB 3.63Å; L726-A754 HydrophobicContact CG-CB 4.46Å; H751-A754 PolarHBondContact O-N 3.36Å; N752-A754 PolarHBondContact O-N 3.01Å; A754-C756 PolarHBondContact O-N 2.65Å; A754-C756 VanDerWaalsContact O-N 3.13Å; A754-I757 PolarHBondContact O-N 3.01Å; A754-I758 PolarHBondContact O-N 3.07Å
755	Q	98.6	Very high	97.7	Very high	29 Å²	29	22.3 Å²	22.3	14%	0.136	12%	0.12	C	C	.	.	H	α-helix	trans	-55.9	-35.2	-174.3	-166.8	70	60.5	0	0	113	N752 I757 I758 D759 R797	N752-Q755 WeakPolarHBondContact O-CB 3.49Å; N752-Q755 PolarHBondContact O-N 3.41Å; Q755-I757 VanDerWaalsContact C-N 3.32Å; Q755-I757 PolarHBondContact O-N 3.15Å; Q755-I758 PolarHBondContact O-N 3.23Å; Q755-D759 WeakPolarHBondContact CG-OD2 3.13Å; Q755-D759 PolarHBondContact NE2-OD1 3.22Å; Q755-D759 WeakPolarHBondContact O-CB 3.36Å; Q755-D759 PolarHBondContact O-N 3.24Å; Q755-R797 VanDerWaalsContact OE1-CD 3.24Å
756	C	98.2	Very high	97.2	Very high	24 Å²	24	23.9 Å²	23.9	16%	0.162	13%	0.127	C	C	.	.	H	α-helix	trans	-63	-37	177.9	-171.9	0	0	0	0	112.4	H376 Y723 A754 Q760	H376-C756 VanDerWaalsContact CB-SG 3.57Å; H376-C756 VanDerWaalsContact CD2-SG 3.57Å; Y723-C756 HydrophobicContact CE2-CB 3.87Å; Y723-C756 WeakPolarHBondContact OH-CB 3.5Å; Y723-C756 PolarHBondContact OH-SG 3.35Å; Y723-C756 VanDerWaalsContact OH-SG 3.35Å; A754-C756 PolarHBondContact O-N 2.65Å; A754-C756 VanDerWaalsContact O-N 3.13Å; C756-Q760 WeakPolarHBondContact O-CB 3.42Å; C756-Q760 VanDerWaalsContact O-CG 3.28Å; C756-Q760 WeakPolarHBondContact O-CG 3.44Å; C756-Q760 PolarHBondContact O-N 3.15Å
757	I	98.6	Very high	96.7	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-66.6	-42.7	174.6	-59.9	-61.4	0	0	0	110.3	A379 V383 Y723 L726 L730 A754 Q755 F761 I762	A379-I757 WeakPolarHBondContact O-CD1 3.48Å; V383-I757 HydrophobicContact CG2-CD1 4.41Å; Y723-I757 HydrophobicContact CD2-CD1 4.04Å; Y723-I757 HydrophobicContact CD2-CG1 3.55Å; Y723-I757 HydrophobicContact CE2-CD1 3.71Å; Y723-I757 HydrophobicContact CE2-CG1 3.62Å; L726-I757 HydrophobicContact CD2-CB 4.35Å; L726-I757 HydrophobicContact CD2-CG2 4.24Å; L726-I757 HydrophobicContact CG-CB 4.44Å; L726-I757 HydrophobicContact CG-CG2 3.96Å; L730-I757 HydrophobicContact CD2-CG2 3.89Å; A754-I757 PolarHBondContact O-N 3.01Å; Q755-I757 VanDerWaalsContact C-N 3.32Å; Q755-I757 PolarHBondContact O-N 3.15Å; I757-F761 HydrophobicContact CD1-CD2 4.16Å; I757-F761 HydrophobicContact CD1-CE2 4.16Å; I757-F761 WeakPolarHBondContact O-CA 3.4Å; I757-F761 WeakPolarHBondContact O-CB 3.22Å; I757-F761 PolarHBondContact O-N 3.38Å; I757-I762 HydrophobicContact CG2-CD1 3.98Å; I757-I762 HydrophobicContact CG2-CG1 4.14Å; I757-I762 PolarHBondContact O-N 3.16Å
758	I	98.7	Very high	96.2	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.136	C	C	.	.	I	π-helix	trans	-62.4	-52.6	178.8	-64	167.6	0	0	0	110.6	L726 H751 A754 Q755 I762 C763 L777 F798 M801 W826	L726-I758 HydrophobicContact CD2-CD1 4.31Å; L726-I758 HydrophobicContact CD2-CG1 3.93Å; H751-I758 HydrophobicContact CB-CD1 4.32Å; A754-I758 PolarHBondContact O-N 3.07Å; Q755-I758 PolarHBondContact O-N 3.23Å; I758-I762 HydrophobicContact CG1-CD1 4.17Å; I758-I762 PolarHBondContact O-N 3.46Å; I758-C763 VanDerWaalsContact O-CB 3.27Å; I758-C763 WeakPolarHBondContact O-CB 3.47Å; I758-C763 PolarHBondContact O-N 3.04Å; I758-L777 HydrophobicContact CG1-CD2 4.46Å; I758-F798 HydrophobicContact CD1-CE1 4.22Å; I758-F798 HydrophobicContact CD1-CZ 4.07Å; I758-F798 HydrophobicContact CG2-CD1 4.47Å; I758-F798 HydrophobicContact CG2-CE1 3.89Å; I758-M801 HydrophobicContact CG2-CE 4.39Å; I758-W826 HydrophobicContact CG2-CH2 3.91Å; I758-W826 HydrophobicContact CG2-CZ3 3.98Å
759	D	98.3	Very high	95.6	Very high	53 Å²	53	24.6 Å²	24.6	28%	0.283	14%	0.138	S	C	.	.	I	π-helix	trans	-71.9	-33.6	-173.6	-71.7	1.6	0	0	0	112.8	Q755 P764 M801	Q755-D759 WeakPolarHBondContact CG-OD2 3.13Å; Q755-D759 PolarHBondContact NE2-OD1 3.22Å; Q755-D759 WeakPolarHBondContact O-CB 3.36Å; Q755-D759 PolarHBondContact O-N 3.24Å; D759-P764 VanDerWaalsContact O-CD 3.27Å; D759-P764 WeakPolarHBondContact O-CD 3.45Å; D759-P764 WeakPolarHBondContact O-CG 3.48Å; D759-M801 VanDerWaalsContact OD1-CE 3.28Å; D759-M801 WeakPolarHBondContact OD1-CE 3.04Å
760	Q	96.6	Very high	94.9	Very high	45 Å²	45	26.6 Å²	26.6	21%	0.21	15%	0.15	C	C	.	.	I	π-helix	trans	-104.4	-21.5	-169.6	-55.4	-56.8	-44	0	0	113.6	P374 H376 C756 K768 W769	P374-Q760 HydrophobicContact CB-CB 3.86Å; P374-Q760 HydrophobicContact CB-CG 4.31Å; P374-Q760 HydrophobicContact CG-CB 3.79Å; P374-Q760 HydrophobicContact CG-CG 4.42Å; H376-Q760 PolarHBondContact CE1-NE2 3.23Å; H376-Q760 PolarHBondContact CE1-OE1 3.08Å; H376-Q760 WeakPolarHBondContact ND1-CG 3.2Å; C756-Q760 WeakPolarHBondContact O-CB 3.42Å; C756-Q760 VanDerWaalsContact O-CG 3.28Å; C756-Q760 WeakPolarHBondContact O-CG 3.44Å; C756-Q760 PolarHBondContact O-N 3.15Å; Q760-K768 WeakPolarHBondContact O-CE 3.4Å; Q760-K768 PolarHBondContact O-NZ 2.94Å; Q760-W769 VanDerWaalsContact O-CH2 3.29Å; Q760-W769 WeakPolarHBondContact O-CH2 3.37Å
761	F	97.1	Very high	94.1	Very high	11 Å²	11	25.4 Å²	25.4	5%	0.048	14%	0.144	C	C	.	.	I	π-helix	trans	-122	-56.8	-179.1	-63	-100.2	0	0	0	112.7	P374 A379 V380 V383 L730 I757 G765 W769	P374-F761 HydrophobicContact CG-CD2 4.43Å; P374-F761 HydrophobicContact CG-CE2 3.66Å; P374-F761 HydrophobicContact CG-CZ 3.8Å; A379-F761 HydrophobicContact CB-CE2 4.05Å; V380-F761 HydrophobicContact CB-CZ 4.12Å; V383-F761 HydrophobicContact CG2-CD1 4.37Å; V383-F761 HydrophobicContact CG2-CE1 4.08Å; V383-F761 HydrophobicContact CG2-CZ 4.16Å; L730-F761 HydrophobicContact CD2-CB 3.27Å; L730-F761 HydrophobicContact CD2-CD1 3.97Å; L730-F761 HydrophobicContact CD2-CG 3.73Å; I757-F761 HydrophobicContact CD1-CD2 4.16Å; I757-F761 HydrophobicContact CD1-CE2 4.16Å; I757-F761 WeakPolarHBondContact O-CA 3.4Å; I757-F761 WeakPolarHBondContact O-CB 3.22Å; I757-F761 PolarHBondContact O-N 3.38Å; F761-G765 WeakPolarHBondContact O-CA 3.38Å; F761-G765 PolarHBondContact O-N 3Å; F761-W769 HydrophobicContact CB-CZ3 4.47Å; F761-W769 AromaticContact CD1-CH2 3.75Å; F761-W769 HydrophobicContact CD1-CH2 3.75Å; F761-W769 AromaticContact CD1-CZ3 3.55Å; F761-W769 HydrophobicContact CD1-CZ3 3.55Å; F761-W769 AromaticContact CE1-CH2 3.98Å; F761-W769 HydrophobicContact CE1-CH2 3.98Å; F761-W769 HydrophobicContact CE1-CZ3 4.11Å; F761-W769 HydrophobicContact CG-CH2 4.27Å; F761-W769 HydrophobicContact CG-CZ3 4.18Å
762	I	97.9	Very high	93.8	Very high	7 Å²	7	26.3 Å²	26.3	4%	0.036	15%	0.149	C	C	.	.	I	π-helix	trans	-66.8	-47.7	-172.2	-59.1	173.1	0	0	0	110.5	L726 L730 I757 I758 I775 L777 W826 P852	L726-I762 HydrophobicContact CD1-CD1 4.1Å; L726-I762 HydrophobicContact CD2-CD1 3.97Å; L726-I762 HydrophobicContact CG-CD1 4.13Å; L730-I762 HydrophobicContact CD1-CG1 4.1Å; I757-I762 HydrophobicContact CG2-CD1 3.98Å; I757-I762 HydrophobicContact CG2-CG1 4.14Å; I757-I762 PolarHBondContact O-N 3.16Å; I758-I762 HydrophobicContact CG1-CD1 4.17Å; I758-I762 PolarHBondContact O-N 3.46Å; I762-I775 HydrophobicContact CG2-CG2 4.39Å; I762-L777 HydrophobicContact CD1-CD1 4.11Å; I762-L777 HydrophobicContact CD1-CD2 4.16Å; I762-W826 HydrophobicContact CB-CZ3 4.49Å; I762-W826 HydrophobicContact CG2-CE3 3.97Å; I762-W826 HydrophobicContact CG2-CZ3 4.14Å; I762-P852 HydrophobicContact CG2-CB 3.54Å; I762-P852 HydrophobicContact CG2-CG 3.73Å
763	C	97.1	Very high	93.6	Very high	18 Å²	18	24.1 Å²	24.1	12%	0.122	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-54.8	179.8	-175.5	0	0	0	0	113	I758 M801 N825 W826	I758-C763 VanDerWaalsContact O-CB 3.27Å; I758-C763 WeakPolarHBondContact O-CB 3.47Å; I758-C763 PolarHBondContact O-N 3.04Å; C763-M801 HydrophobicContact CB-CE 3.4Å; C763-M801 VanDerWaalsContact CB-CE 3.4Å; C763-M801 VanDerWaalsContact SG-CE 3.52Å; C763-N825 PolarHBondContact SG-ND2 3.31Å; C763-W826 VanDerWaalsContact CA-CE3 3.5Å; C763-W826 HydrophobicContact CB-CE3 3.9Å; C763-W826 HydrophobicContact CB-CH2 3.52Å; C763-W826 HydrophobicContact CB-CZ2 4.34Å; C763-W826 HydrophobicContact CB-CZ3 3.24Å
764	P	94.5	Very high	93.5	Very high	27 Å²	27	21.1 Å²	21.1	18%	0.175	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.2	4.6	-167.4	22.1	-0.4	0	0	0	112.9	D759 Q766 A767 K768	D759-P764 VanDerWaalsContact O-CD 3.27Å; D759-P764 WeakPolarHBondContact O-CD 3.45Å; D759-P764 WeakPolarHBondContact O-CG 3.48Å; P764-Q766 VanDerWaalsContact C-N 3.29Å; P764-Q766 PolarHBondContact O-N 2.93Å; P764-A767 PolarHBondContact O-N 2.91Å; P764-K768 HydrophobicContact CB-CD 4.18Å; P764-K768 HydrophobicContact CB-CG 4.16Å; P764-K768 WeakPolarHBondContact O-CB 3.49Å; P764-K768 WeakPolarHBondContact O-CG 3.31Å; P764-K768 PolarHBondContact O-N 3.32Å
765	G	91.8	Very high	93.5	Very high	5 Å²	5	21.1 Å²	21.1	5%	0.052	12%	0.12	C	C	.	.	H	α-helix	trans	-57.2	-40.9	-173.1	0	0	0	0	0	113	F761 W769 R771	F761-G765 WeakPolarHBondContact O-CA 3.38Å; F761-G765 PolarHBondContact O-N 3Å; G765-W769 WeakPolarHBondContact O-CB 3.3Å; G765-W769 PolarHBondContact O-N 3.41Å; G765-R771 PolarHBondContact O-N 3.48Å
766	Q	89.3	Confident	93.6	Very high	35 Å²	35	19.8 Å²	19.8	16%	0.164	11%	0.114	C	C	.	.	H	α-helix	trans	-67.5	-44.8	174.3	-172.8	172.6	-12.4	0	0	112.1	P764 K768 V770 R771	P764-Q766 VanDerWaalsContact C-N 3.29Å; P764-Q766 PolarHBondContact O-N 2.93Å; Q766-K768 PolarHBondContact O-N 3.31Å; Q766-V770 WeakPolarHBondContact O-CA 3.11Å; Q766-V770 PolarHBondContact O-N 3.4Å; Q766-R771 VanDerWaalsContact CA-O 3.28Å; Q766-R771 WeakPolarHBondContact CA-O 3.43Å; Q766-R771 WeakPolarHBondContact CB-O 3.39Å; Q766-R771 PolarHBondContact N-O 3.47Å
767	A	88	Confident	93.6	Very high	48 Å²	48	18.6 Å²	18.6	40%	0.397	11%	0.106	S	C	.	.	H	α-helix	trans	-66.4	-38.3	-178.5	0	0	0	0	0	112.7	G343 S344 P764	G343-A767 CarbonylContact C-O 3.51Å; G343-A767 WeakPolarHBondContact CA-O 3.49Å; S344-A767 PolarHBondContact N-O 2.78Å; S344-A767 PolarHBondContact OG-O 3.43Å; P764-A767 PolarHBondContact O-N 2.91Å
768	K	87.7	Confident	93.6	Very high	27 Å²	27	18.6 Å²	18.6	12%	0.117	11%	0.106	C	C	.	.	H	α-helix	trans	-81.2	-39.9	-178.3	-68	-171.6	-58.6	177.9	0	113.1	G345 D346 Q760 P764 Q766	G345-K768 CarbonylContact C-O 3.06Å; G345-K768 VanDerWaalsContact C-O 3.31Å; D346-K768 HydrophobicContact CB-CB 4.37Å; Q760-K768 WeakPolarHBondContact O-CE 3.4Å; Q760-K768 PolarHBondContact O-NZ 2.94Å; P764-K768 HydrophobicContact CB-CD 4.18Å; P764-K768 HydrophobicContact CB-CG 4.16Å; P764-K768 WeakPolarHBondContact O-CB 3.49Å; P764-K768 WeakPolarHBondContact O-CG 3.31Å; P764-K768 PolarHBondContact O-N 3.32Å; Q766-K768 PolarHBondContact O-N 3.31Å
769	W	86.1	Confident	93.6	Very high	10 Å²	10	18.6 Å²	18.6	4%	0.038	11%	0.106	C	C	.	.	H	α-helix	trans	-129.9	7.5	-165.6	-48	-44.8	0	0	0	114	D346 A372 Q760 F761 G765 R771	D346-W769 PolarHBondContact OD2-NE1 2.69Å; A372-W769 HydrophobicContact CB-CB 4.18Å; A372-W769 HydrophobicContact CB-CD2 3.63Å; A372-W769 HydrophobicContact CB-CE3 4.04Å; A372-W769 HydrophobicContact CB-CG 3.69Å; Q760-W769 VanDerWaalsContact O-CH2 3.29Å; Q760-W769 WeakPolarHBondContact O-CH2 3.37Å; F761-W769 HydrophobicContact CB-CZ3 4.47Å; F761-W769 AromaticContact CD1-CH2 3.75Å; F761-W769 HydrophobicContact CD1-CH2 3.75Å; F761-W769 AromaticContact CD1-CZ3 3.55Å; F761-W769 HydrophobicContact CD1-CZ3 3.55Å; F761-W769 AromaticContact CE1-CH2 3.98Å; F761-W769 HydrophobicContact CE1-CH2 3.98Å; F761-W769 HydrophobicContact CE1-CZ3 4.11Å; F761-W769 HydrophobicContact CG-CH2 4.27Å; F761-W769 HydrophobicContact CG-CZ3 4.18Å; G765-W769 WeakPolarHBondContact O-CB 3.3Å; G765-W769 PolarHBondContact O-N 3.41Å; W769-R771 HydrophobicContact CB-CB 4.44Å; W769-R771 HydrophobicContact CB-CG 3.77Å; W769-R771 PolarHBondContact O-N 2.97Å
770	V	83.9	Confident	93.6	Very high	46 Å²	46	16.1 Å²	16.1	28%	0.279	9%	0.093	S	C	.	.			trans	54.5	35.4	-176.5	-172.1	0	0	0	0	111	E342 I581 L585 Q766	E342-V770 WeakPolarHBondContact O-CG2 3.36Å; I581-V770 HydrophobicContact CB-CG2 3.79Å; I581-V770 HydrophobicContact CD1-CG2 4.09Å; I581-V770 HydrophobicContact CG2-CB 3.91Å; I581-V770 HydrophobicContact CG2-CG2 3.3Å; L585-V770 HydrophobicContact CD2-CB 4.46Å; L585-V770 WeakPolarHBondContact CD2-O 3.18Å; Q766-V770 WeakPolarHBondContact O-CA 3.11Å; Q766-V770 PolarHBondContact O-N 3.4Å
771	R	82.8	Confident	93.7	Very high	21 Å²	21	14.4 Å²	14.4	8%	0.079	9%	0.085	C	C	.	.			trans	-96	101.9	179	-74.2	-75.9	-178.4	-91.3	-46.5	111.4	W584 L585 D586 G765 Q766 W769	W584-R771 PolarHBondContact O-NH2 2.88Å; L585-R771 VanDerWaalsContact CA-NH2 3.32Å; L585-R771 VanDerWaalsContact CB-NH1 3.34Å; D586-R771 IonicContact OD1-CZ 2.6Å; D586-R771 IonicContact OD1-NE 3.07Å; D586-R771 PolarHBondContact OD1-NE 2.98Å; D586-R771 IonicContact OD1-NH1 3.76Å; D586-R771 IonicContact OD1-NH2 3.42Å; D586-R771 IonicContact OD2-CZ 3.52Å; D586-R771 IonicContact OD2-NE 3.4Å; D586-R771 PolarHBondContact OD2-NE 3.27Å; D586-R771 IonicContact OD2-NH2 2.7Å; D586-R771 PolarHBondContact OD2-NH2 3.46Å; G765-R771 PolarHBondContact O-N 3.48Å; Q766-R771 VanDerWaalsContact CA-O 3.28Å; Q766-R771 WeakPolarHBondContact CA-O 3.43Å; Q766-R771 WeakPolarHBondContact CB-O 3.39Å; Q766-R771 PolarHBondContact N-O 3.47Å; W769-R771 HydrophobicContact CB-CB 4.44Å; W769-R771 HydrophobicContact CB-CG 3.77Å; W769-R771 PolarHBondContact O-N 2.97Å
772	Q	90	Very high	93.8	Very high	19 Å²	19	14 Å²	14	9%	0.089	8%	0.083	C	C	.	.			trans	-73	144	162.7	-68	-169.5	12.8	0	0	110.2	W589 F593 F849 R850	W589-Q772 HydrophobicContact CH2-CB 4.15Å; W589-Q772 WeakPolarHBondContact CH2-O 3.44Å; W589-Q772 HydrophobicContact CZ3-CB 3.84Å; F593-Q772 HydrophobicContact CZ-CG 4.42Å; F593-Q772 VanDerWaalsContact CZ-OE1 3.28Å; Q772-F849 VanDerWaalsContact OE1-CB 3.27Å; Q772-R850 HydrophobicContact CB-CB 4.22Å; Q772-R850 WeakPolarHBondContact CB-O 3.45Å
773	N	94.6	Very high	93.7	Very high	12 Å²	12	13.8 Å²	13.8	6%	0.064	8%	0.082	C	C	.	.			trans	-147.6	139.4	177.8	-168.8	-67.3	0	0	0	109.2	L730 A733 M734 I775 R850 K851 P852	L730-N773 WeakPolarHBondContact CD1-ND2 3.33Å; L730-N773 PolarHBondContact O-ND2 3.32Å; L730-N773 VanDerWaalsContact O-ND2 3.08Å; A733-N773 VanDerWaalsContact CB-OD1 3.3Å; A733-N773 WeakPolarHBondContact CB-OD1 3.21Å; M734-N773 WeakPolarHBondContact CG-ND2 3.32Å; N773-I775 VanDerWaalsContact OD1-CB 3.25Å; N773-I775 WeakPolarHBondContact OD1-CB 3.41Å; N773-I775 WeakPolarHBondContact OD1-CG2 3.38Å; N773-I775 PolarHBondContact OD1-N 3.13Å; N773-R850 CarbonylContact O-C 3.58Å; N773-K851 CarbonylContact O-C 3.49Å; N773-K851 VanDerWaalsContact O-CA 3.25Å; N773-K851 WeakPolarHBondContact O-CA 3.42Å; N773-K851 PolarHBondContact O-N 3.18Å; N773-P852 WeakPolarHBondContact O-CD 3.46Å; N773-P852 VanDerWaalsContact O-N 3.08Å
774	G	96.2	Very high	93.7	Very high	7 Å²	7	15.4 Å²	15.4	7%	0.072	9%	0.088	C	C	.	.			trans	-101.5	11.2	-174.8	0	0	0	0	0	115.3	Q844	G774-Q844 PolarHBondContact O-NE2 3.15Å
775	I	98.6	Very high	93.8	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.088	C	C	.	.			trans	-56.6	138.2	-175.1	-166.8	174.4	0	0	0	112.2	L726 E729 L730 A733 I762 N773 L777 P852 L853	L726-I775 HydrophobicContact CD1-CD1 3.78Å; E729-I775 HydrophobicContact CB-CD1 4.11Å; L730-I775 HydrophobicContact CB-CD1 4.28Å; A733-I775 HydrophobicContact CB-CB 4.13Å; I762-I775 HydrophobicContact CG2-CG2 4.39Å; N773-I775 VanDerWaalsContact OD1-CB 3.25Å; N773-I775 WeakPolarHBondContact OD1-CB 3.41Å; N773-I775 WeakPolarHBondContact OD1-CG2 3.38Å; N773-I775 PolarHBondContact OD1-N 3.13Å; I775-L777 HydrophobicContact CD1-CD1 4.06Å; I775-L777 HydrophobicContact CG1-CD1 3.95Å; I775-L777 HydrophobicContact CG2-CD1 4Å; I775-P852 HydrophobicContact CG2-CB 4.12Å; I775-P852 HydrophobicContact CG2-CG 4.49Å; I775-P852 VanDerWaalsContact O-CA 3.32Å; I775-P852 WeakPolarHBondContact O-CA 3.21Å; I775-L853 PolarHBondContact O-N 2.57Å
776	V	98.9	Very high	94	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	124.1	175.4	-174.3	0	0	0	0	109.5	L740 I741 L742 W743 L778 L841 Q844 L853 V855	L740-V776 HydrophobicContact CD1-CG2 3.75Å; I741-V776 PolarHBondContact O-N 3.15Å; L742-V776 WeakPolarHBondContact CA-O 3.43Å; L742-V776 HydrophobicContact CB-CB 4.45Å; L742-V776 HydrophobicContact CD2-CB 4.25Å; L742-V776 HydrophobicContact CD2-CG1 4.23Å; L742-V776 HydrophobicContact CG-CB 4.1Å; W743-V776 PolarHBondContact N-O 3.41Å; V776-L778 HydrophobicContact CG1-CD2 3.74Å; V776-L778 HydrophobicContact CG1-CG 4.4Å; V776-L841 HydrophobicContact CG1-CD2 4.32Å; V776-Q844 HydrophobicContact CG2-CG 4.01Å; V776-L853 CarbonylContact C-O 3.53Å; V776-L853 WeakPolarHBondContact CA-O 3.04Å; V776-L853 HydrophobicContact CG1-CB 4.37Å; V776-L853 HydrophobicContact CG1-CD2 4.05Å; V776-L853 HydrophobicContact CG1-CG 4.28Å; V776-L853 HydrophobicContact CG2-CB 4.27Å; V776-L853 HydrophobicContact CG2-CD2 4.35Å; V776-V855 HydrophobicContact CG1-CG2 3.97Å
777	L	98.9	Very high	94.3	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	115.5	174.3	-80.9	64.5	0	0	0	108.5	L726 W743 I758 I762 I775 L779 L853 I854 V855	L726-L777 HydrophobicContact CD1-CD1 4.2Å; L726-L777 HydrophobicContact CD1-CD2 4.46Å; L726-L777 HydrophobicContact CD1-CG 4.23Å; L726-L777 HydrophobicContact CD2-CD2 4.36Å; W743-L777 HydrophobicContact CE3-CG 4.14Å; W743-L777 WeakPolarHBondContact O-CA 3.37Å; I758-L777 HydrophobicContact CG1-CD2 4.46Å; I762-L777 HydrophobicContact CD1-CD1 4.11Å; I762-L777 HydrophobicContact CD1-CD2 4.16Å; I775-L777 HydrophobicContact CD1-CD1 4.06Å; I775-L777 HydrophobicContact CG1-CD1 3.95Å; I775-L777 HydrophobicContact CG2-CD1 4Å; L777-L779 HydrophobicContact CB-CD2 4.49Å; L777-L779 HydrophobicContact CB-CG 4.35Å; L777-L853 PolarHBondContact N-O 2.99Å; L777-I854 HydrophobicContact CB-CD1 3.98Å; L777-I854 HydrophobicContact CD1-CD1 4.31Å; L777-I854 HydrophobicContact CD2-CD1 3.8Å; L777-I854 HydrophobicContact CG-CD1 4.24Å; L777-V855 PolarHBondContact O-N 3.26Å
778	L	98.9	Very high	94.8	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	110.9	175.2	-55.7	-178.3	0	0	0	108.7	L673 L742 W743 E744 A745 V776 P780 Y837 V855 T857	L673-L778 HydrophobicContact CD1-CD1 4.26Å; L742-L778 HydrophobicContact CB-CD1 4.39Å; L742-L778 HydrophobicContact CD2-CD1 3.9Å; L742-L778 HydrophobicContact CD2-CD2 4.38Å; L742-L778 HydrophobicContact CD2-CG 4.34Å; W743-L778 PolarHBondContact O-N 2.97Å; E744-L778 WeakPolarHBondContact CA-O 3.48Å; E744-L778 HydrophobicContact CB-CB 3.91Å; E744-L778 HydrophobicContact CB-CD1 4.26Å; E744-L778 HydrophobicContact CG-CB 3.9Å; A745-L778 PolarHBondContact N-O 2.68Å; V776-L778 HydrophobicContact CG1-CD2 3.74Å; V776-L778 HydrophobicContact CG1-CG 4.4Å; L778-P780 WeakPolarHBondContact O-CD 3.33Å; L778-Y837 HydrophobicContact CD2-CE2 4.27Å; L778-V855 HydrophobicContact CD2-CB 4Å; L778-V855 HydrophobicContact CD2-CG2 4.08Å; L778-T857 HydrophobicContact CB-CG2 3.91Å; L778-T857 HydrophobicContact CD2-CG2 3.85Å; L778-T857 HydrophobicContact CG-CG2 4.4Å
779	L	98.9	Very high	95.2	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	95.8	-171.2	-57.8	-179.1	0	0	0	111	W743 A745 H751 L777 H781 A793 F798 I854 V855 F856 T857	W743-L779 HydrophobicContact CZ3-CD2 3.86Å; A745-L779 HydrophobicContact CB-CD2 3.89Å; H751-L779 HydrophobicContact CB-CD2 3.9Å; L777-L779 HydrophobicContact CB-CD2 4.49Å; L777-L779 HydrophobicContact CB-CG 4.35Å; L779-H781 PolarHBondContact O-N 3.4Å; L779-H781 VanDerWaalsContact O-N 3.14Å; L779-A793 HydrophobicContact CB-CB 3.74Å; L779-A793 HydrophobicContact CD1-CB 4.28Å; L779-F798 HydrophobicContact CD1-CE2 3.58Å; L779-F798 HydrophobicContact CD1-CZ 3.62Å; L779-I854 HydrophobicContact CD1-CG2 3.84Å; L779-V855 PolarHBondContact N-O 2.95Å; L779-F856 HydrophobicContact CB-CD1 4.28Å; L779-F856 HydrophobicContact CD1-CD1 4.45Å; L779-F856 HydrophobicContact CD1-CE1 4.11Å; L779-F856 CarbonylContact O-C 3.43Å; L779-F856 WeakPolarHBondContact O-CA 3.46Å; L779-T857 VanDerWaalsContact C-OG1 3.27Å; L779-T857 PolarHBondContact O-N 3.06Å
780	P	98.8	Very high	95.8	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.006	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	118.4	-179	-27.8	34.8	0	0	0	112.9	F683 A745 G748 L778 T857 K859	F683-P780 HydrophobicContact CE2-CB 3.83Å; F683-P780 HydrophobicContact CE2-CG 3.99Å; F683-P780 HydrophobicContact CZ-CB 3.96Å; F683-P780 HydrophobicContact CZ-CG 4.47Å; A745-P780 WeakPolarHBondContact O-CD 3.47Å; A745-P780 WeakPolarHBondContact O-CG 3.37Å; G748-P780 WeakPolarHBondContact CA-O 3.38Å; G748-P780 PolarHBondContact N-O 2.96Å; L778-P780 WeakPolarHBondContact O-CD 3.33Å; P780-T857 CarbonylContact C-O 3.5Å; P780-T857 VanDerWaalsContact CA-O 3.29Å; P780-T857 WeakPolarHBondContact CA-O 3.4Å; P780-T857 WeakPolarHBondContact CA-OG1 3.26Å; P780-T857 WeakPolarHBondContact CD-OG1 3.45Å; P780-T857 VanDerWaalsContact N-OG1 3.13Å; P780-K859 HydrophobicContact CB-CD 4.37Å; P780-K859 HydrophobicContact CB-CG 4.01Å
781	H	98.8	Very high	96.5	Very high	9 Å²	9	20.7 Å²	20.7	4%	0.042	11%	0.109	C	C	.	.			trans	-133.4	145.5	-168.9	-179.2	50.2	0	0	0	111.5	L779 S791 S792 A793 F856 T857 E958 Y964	L779-H781 PolarHBondContact O-N 3.4Å; L779-H781 VanDerWaalsContact O-N 3.14Å; H781-S791 PolarHBondContact ND1-O 3.44Å; H781-S791 VanDerWaalsContact ND1-O 3.14Å; H781-S792 WeakPolarHBondContact ND1-CA 3.32Å; H781-A793 HydrophobicContact CB-CB 4.03Å; H781-A793 PolarHBondContact ND1-N 3.43Å; H781-F856 HydrophobicContact CB-CB 3.92Å; H781-F856 HydrophobicContact CB-CD1 4.48Å; H781-T857 PolarHBondContact N-O 3.17Å; H781-E958 IonicContact CE1-OE1 3.97Å; H781-E958 IonicContact NE2-OE1 3.57Å; H781-E958 PolarHBondContact NE2-OE1 2.79Å; H781-Y964 PolarHBondContact CD2-OH 3.22Å; H781-Y964 PolarHBondContact NE2-OH 3.21Å
782	G	97.6	Very high	97.2	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.01	11%	0.105	C	C	.	.			trans	151.3	136	170	0	0	0	0	0	113.4	E784 S791 K859 E957	G782-E784 PolarHBondContact O-N 2.85Å; G782-S791 CarbonylContact C-O 3.58Å; G782-S791 PolarHBondContact N-O 3.07Å; G782-K859 WeakPolarHBondContact O-CE 3.39Å; G782-K859 PolarHBondContact O-NZ 3.45Å; G782-E957 VanDerWaalsContact CA-OE1 3.23Å; G782-E957 WeakPolarHBondContact CA-OE1 3.29Å
783	M	97.1	Very high	97.6	Very high	3 Å²	3	18.8 Å²	18.8	2%	0.015	10%	0.101	C	C	.	.			trans	-78.6	97.7	176.6	-61	-70	168.8	0	0	110.2	K906 E957 E958 P993 A994 H1001	M783-K906 PolarHBondContact O-NZ 3.33Å; M783-E957 HydrophobicContact CB-CB 4.15Å; M783-E957 HydrophobicContact CB-CG 3.97Å; M783-E957 HydrophobicContact CG-CB 4.09Å; M783-E957 HydrophobicContact CG-CG 3.71Å; M783-E957 PolarHBondContact N-OE1 3.26Å; M783-E958 HydrophobicContact CE-CB 4.2Å; M783-E958 HydrophobicContact CE-CG 3.91Å; M783-P993 WeakPolarHBondContact CE-O 3.39Å; M783-A994 HydrophobicContact SD-CB 3.89Å; M783-H1001 PolarHBondContact O-CE1 2.84Å; M783-H1001 VanDerWaalsContact O-CE1 3.27Å
784	E	96.6	Very high	97.8	Very high	52 Å²	52	20.6 Å²	20.6	24%	0.243	11%	0.107	C	C	.	.	S	Bend	trans	-121.9	11.4	-173.9	-61.4	176.4	179.4	0	0	113.1	G782 M786 S860 K906	G782-E784 PolarHBondContact O-N 2.85Å; E784-M786 HydrophobicContact CB-CG 4.34Å; E784-S860 WeakPolarHBondContact OE1-CB 3.48Å; E784-S860 PolarHBondContact OE1-N 3.2Å; E784-S860 PolarHBondContact OE1-OG 2.89Å; E784-K906 HydrophobicContact CG-CD 4.47Å
785	G	95.9	Very high	97.9	Very high	17 Å²	17	20.2 Å²	20.2	18%	0.175	10%	0.104	C	C	.	.	S	Bend	trans	75.8	25.5	179.2	0	0	0	0	0	114	H1001	G785-H1001 PolarHBondContact N-CE1 3.1Å
786	M	95.6	Very high	97.9	Very high	86 Å²	86	22.2 Å²	22.2	42%	0.424	11%	0.113	S	C	.	.	S	Bend	trans	-92.5	6.5	178.6	-52.2	-154.7	-27.2	0	0	114.1	F747 E784 H790	F747-M786 HydrophobicContact CD1-CE 4.44Å; F747-M786 HydrophobicContact CE1-CE 3.39Å; F747-M786 HydrophobicContact CZ-CE 3.72Å; E784-M786 HydrophobicContact CB-CG 4.34Å; M786-H790 HydrophobicContact CB-CB 3.96Å; M786-H790 HydrophobicContact CE-CB 3.44Å; M786-H790 VanDerWaalsContact CE-CB 3.44Å
787	G	97.1	Very high	97.9	Very high	7 Å²	7	26 Å²	26	7%	0.072	13%	0.127	C	C	.	.			trans	88.7	178.5	-178.6	0	0	0	0	0	114.4	E789 S791	G787-E789 PolarHBondContact O-N 3.31Å; G787-S791 WeakPolarHBondContact O-CB 3.27Å; G787-S791 PolarHBondContact O-OG 3.14Å
788	P	97.3	Very high	97.9	Very high	41 Å²	41	26.1 Å²	26.1	27%	0.266	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-25	-164.9	23.4	-33.4	0	0	0	115.8	A992 P993 A994	P788-A992 HydrophobicContact CB-CB 4.14Å; P788-P993 WeakPolarHBondContact O-CB 3.28Å; P788-P993 WeakPolarHBondContact O-CG 3.16Å; P788-A994 WeakPolarHBondContact CB-O 3.22Å
789	E	97.3	Very high	97.9	Very high	94 Å²	94	26.2 Å²	26.2	44%	0.439	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102	10.9	-174.9	-54.6	-54.7	141.6	0	0	113.5	D749 G787	D749-E789 WeakPolarHBondContact CB-O 3.03Å; D749-E789 VanDerWaalsContact OD1-C 3.25Å; G787-E789 PolarHBondContact O-N 3.31Å
790	H	98.2	Very high	97.9	Very high	64 Å²	64	34 Å²	34	30%	0.296	16%	0.164	S	C	.	.	S	Bend	trans	-140.9	33.4	179.8	-58.6	85.8	0	0	0	111.6	F747 D749 M786 K859	F747-H790 HydrophobicContact CD1-CB 3.87Å; F747-H790 AromaticContact CD1-CD2 3.88Å; F747-H790 AromaticContact CD2-CD2 3.62Å; F747-H790 HydrophobicContact CE1-CB 3.91Å; F747-H790 AromaticContact CE1-CD2 3.84Å; F747-H790 AromaticContact CE2-CD2 3.58Å; F747-H790 HydrophobicContact CG-CB 4.48Å; F747-H790 AromaticContact CG-CD2 3.77Å; F747-H790 AromaticContact CZ-CD2 3.69Å; D749-H790 PolarHBondContact OD1-N 3.27Å; D749-H790 WeakPolarHBondContact OD2-CA 3.47Å; M786-H790 HydrophobicContact CB-CB 3.96Å; M786-H790 HydrophobicContact CE-CB 3.44Å; M786-H790 VanDerWaalsContact CE-CB 3.44Å; H790-K859 PolarHBondContact O-NZ 3.11Å
791	S	98.1	Very high	97.8	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.175	C	C	.	.	S	Bend	trans	-132	-43.8	-171.1	-67.7	0	0	0	0	113	D749 H781 G782 G787 A994	D749-S791 PolarHBondContact OD1-N 2.87Å; D749-S791 PolarHBondContact OD2-N 3.45Å; H781-S791 PolarHBondContact ND1-O 3.44Å; H781-S791 VanDerWaalsContact ND1-O 3.14Å; G782-S791 CarbonylContact C-O 3.58Å; G782-S791 PolarHBondContact N-O 3.07Å; G787-S791 WeakPolarHBondContact O-CB 3.27Å; G787-S791 PolarHBondContact O-OG 3.14Å; S791-A994 WeakPolarHBondContact OG-CB 3.44Å
792	S	98.5	Very high	97.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.178	C	C	.	.			trans	-125.3	121.9	-168.2	-166.5	0	0	0	0	113.3	D749 H781 R794	D749-S792 VanDerWaalsContact CA-O 3.31Å; D749-S792 WeakPolarHBondContact CA-O 3.35Å; D749-S792 VanDerWaalsContact CG-O 3.23Å; D749-S792 PolarHBondContact OD1-N 3.15Å; D749-S792 PolarHBondContact OD2-N 3.44Å; H781-S792 WeakPolarHBondContact ND1-CA 3.32Å; S792-R794 PolarHBondContact O-N 3.2Å; S792-R794 PolarHBondContact OG-N 3.27Å
793	A	98.4	Very high	97.6	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.201	C	C	.	.			trans	-75.5	10.2	163.9	0	0	0	0	0	113.1	H751 L779 H781 F856	H751-A793 PolarHBondContact CE1-O 3.06Å; L779-A793 HydrophobicContact CB-CB 3.74Å; L779-A793 HydrophobicContact CD1-CB 4.28Å; H781-A793 HydrophobicContact CB-CB 4.03Å; H781-A793 PolarHBondContact ND1-N 3.43Å; A793-F856 HydrophobicContact CB-CD1 3.48Å; A793-F856 VanDerWaalsContact CB-CD1 3.48Å; A793-F856 HydrophobicContact CB-CE1 3.72Å
794	R	98.6	Very high	97.2	Very high	50 Å²	50	42.2 Å²	42.2	19%	0.189	21%	0.209	C	C	.	.			trans	49.1	54.3	-177.7	-59.6	-176.8	171.1	-84.6	3.6	113.2	S792 E796 R797	S792-R794 PolarHBondContact O-N 3.2Å; S792-R794 PolarHBondContact OG-N 3.27Å; R794-E796 VanDerWaalsContact C-OE2 3.24Å; R794-E796 WeakPolarHBondContact CA-OE1 3.44Å; R794-E796 WeakPolarHBondContact CA-OE2 3.46Å; R794-E796 WeakPolarHBondContact CB-OE1 3.32Å; R794-E796 IonicContact NH1-OE1 3.73Å; R794-E796 PolarHBondContact O-N 2.68Å; R794-R797 HydrophobicContact CB-CB 4.46Å; R794-R797 WeakPolarHBondContact O-CB 3.4Å; R794-R797 PolarHBondContact O-N 2.7Å
795	P	98.6	Very high	97.1	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-53.8	-29.8	-179.7	25.9	-37.8	0	0	0	113.4	R797 F798 L799 F856 Y964	P795-R797 PolarHBondContact O-N 3.36Å; P795-F798 PolarHBondContact O-N 2.75Å; P795-L799 WeakPolarHBondContact O-CB 3.39Å; P795-L799 WeakPolarHBondContact O-CG 3.49Å; P795-L799 PolarHBondContact O-N 2.91Å; P795-F856 HydrophobicContact CB-CD2 4.19Å; P795-F856 HydrophobicContact CB-CE1 3.89Å; P795-F856 HydrophobicContact CB-CE2 3.5Å; P795-F856 HydrophobicContact CB-CZ 3.36Å; P795-Y964 HydrophobicContact CB-CD1 3.89Å; P795-Y964 HydrophobicContact CB-CE1 3.23Å; P795-Y964 HydrophobicContact CG-CD1 4.15Å; P795-Y964 HydrophobicContact CG-CE1 3.56Å; P795-Y964 HydrophobicContact CG-CE2 4.4Å
796	E	98.6	Very high	97	Very high	41 Å²	41	45 Å²	45	19%	0.192	22%	0.223	C	C	.	.	H	α-helix	trans	-56.6	-32.3	177.2	67.4	-77.2	177.3	0	0	112.9	R794 Q800 Q962 G963	R794-E796 VanDerWaalsContact C-OE2 3.24Å; R794-E796 WeakPolarHBondContact CA-OE1 3.44Å; R794-E796 WeakPolarHBondContact CA-OE2 3.46Å; R794-E796 WeakPolarHBondContact CB-OE1 3.32Å; R794-E796 IonicContact NH1-OE1 3.73Å; R794-E796 PolarHBondContact O-N 2.68Å; E796-Q800 VanDerWaalsContact O-CB 3.26Å; E796-Q800 WeakPolarHBondContact O-CB 3.38Å; E796-Q800 PolarHBondContact O-N 3.23Å; E796-Q962 HydrophobicContact CG-CB 4.47Å; E796-G963 VanDerWaalsContact CA-O 3.24Å; E796-G963 WeakPolarHBondContact CA-O 3.31Å; E796-G963 WeakPolarHBondContact CB-O 3.38Å; E796-G963 PolarHBondContact N-O 3.1Å; E796-G963 PolarHBondContact OE2-N 2.91Å
797	R	98.6	Very high	97	Very high	80 Å²	80	46.1 Å²	46.1	30%	0.302	23%	0.231	S	C	.	.	H	α-helix	trans	-75.2	-44.7	-178.8	-172.6	177.2	-66.5	173.6	-2.2	111.4	Q755 R794 P795 L799 Q800 M801	Q755-R797 VanDerWaalsContact OE1-CD 3.24Å; R794-R797 HydrophobicContact CB-CB 4.46Å; R794-R797 WeakPolarHBondContact O-CB 3.4Å; R794-R797 PolarHBondContact O-N 2.7Å; P795-R797 PolarHBondContact O-N 3.36Å; R797-L799 VanDerWaalsContact C-N 3.31Å; R797-L799 PolarHBondContact O-N 2.85Å; R797-Q800 PolarHBondContact O-N 2.62Å; R797-M801 HydrophobicContact CG-SD 4.42Å; R797-M801 WeakPolarHBondContact O-CG 3.35Å; R797-M801 PolarHBondContact O-N 2.75Å
798	F	98.7	Very high	96.8	Very high	3 Å²	3	49.6 Å²	49.6	1%	0.013	25%	0.251	C	S	.	.	H	α-helix	trans	-62.5	-41.3	174.1	-68.9	-81.1	0	0	0	111.3	H751 I758 L779 P795 M801 C802 W826 V828 I854 F856	H751-F798 AromaticContact CD2-CE2 3.82Å; H751-F798 AromaticContact CD2-CZ 3.64Å; H751-F798 AromaticContact CE1-CE2 3.94Å; H751-F798 AromaticContact NE2-CE2 3.63Å; H751-F798 AromaticContact NE2-CZ 3.93Å; I758-F798 HydrophobicContact CD1-CE1 4.22Å; I758-F798 HydrophobicContact CD1-CZ 4.07Å; I758-F798 HydrophobicContact CG2-CD1 4.47Å; I758-F798 HydrophobicContact CG2-CE1 3.89Å; L779-F798 HydrophobicContact CD1-CE2 3.58Å; L779-F798 HydrophobicContact CD1-CZ 3.62Å; P795-F798 PolarHBondContact O-N 2.75Å; F798-M801 PolarHBondContact O-N 3.28Å; F798-C802 PolarHBondContact O-N 3.41Å; F798-C802 PolarHBondContact O-SG 3.36Å; F798-W826 HydrophobicContact CB-CZ2 4.27Å; F798-W826 AromaticContact CD1-CH2 3.88Å; F798-W826 HydrophobicContact CD1-CH2 3.88Å; F798-W826 AromaticContact CD1-CZ2 3.98Å; F798-W826 HydrophobicContact CD1-CZ2 3.98Å; F798-W826 HydrophobicContact CD1-CZ3 4.46Å; F798-W826 VanDerWaalsContact O-CZ2 3.31Å; F798-W826 WeakPolarHBondContact O-CZ2 3.44Å; F798-W826 PolarHBondContact O-NE1 3.11Å; F798-V828 HydrophobicContact CB-CG2 4.49Å; F798-I854 HydrophobicContact CD1-CD1 4.05Å; F798-I854 HydrophobicContact CD1-CG1 3.87Å; F798-I854 HydrophobicContact CD1-CG2 3.97Å; F798-I854 HydrophobicContact CD2-CG2 4.23Å; F798-I854 HydrophobicContact CE1-CD1 3.91Å; F798-I854 HydrophobicContact CE1-CG1 4.21Å; F798-I854 HydrophobicContact CE1-CG2 4.1Å; F798-I854 HydrophobicContact CE2-CG2 4.35Å; F798-I854 HydrophobicContact CG-CG2 4.03Å; F798-I854 HydrophobicContact CZ-CG2 4.29Å; F798-F856 HydrophobicContact CD2-CE1 4.11Å; F798-F856 HydrophobicContact CD2-CZ 4.04Å; F798-F856 HydrophobicContact CE2-CE1 4.42Å
799	L	98.6	Very high	96.6	Very high	2 Å²	2	50.6 Å²	50.6	1%	0.01	25%	0.253	C	S	.	.	H	α-helix	trans	-69.4	-36.1	179.3	-72.8	179.7	0	0	0	113.4	P795 R797 M801 C802 V828 L932 Y964 Y967	P795-L799 WeakPolarHBondContact O-CB 3.39Å; P795-L799 WeakPolarHBondContact O-CG 3.49Å; P795-L799 PolarHBondContact O-N 2.91Å; R797-L799 VanDerWaalsContact C-N 3.31Å; R797-L799 PolarHBondContact O-N 2.85Å; L799-M801 PolarHBondContact O-N 2.93Å; L799-C802 WeakPolarHBondContact O-CB 3.47Å; L799-C802 PolarHBondContact O-N 3.24Å; L799-V828 HydrophobicContact CD2-CB 4.12Å; L799-V828 HydrophobicContact CD2-CG1 3.92Å; L799-V828 HydrophobicContact CD2-CG2 4.34Å; L799-V828 HydrophobicContact CG-CG1 4.44Å; L799-L932 HydrophobicContact CD1-CD1 3.93Å; L799-L932 HydrophobicContact CD2-CB 3.92Å; L799-Y964 HydrophobicContact CD1-CD1 3.68Å; L799-Y964 HydrophobicContact CD1-CE1 4.46Å; L799-Y967 HydrophobicContact CB-CD1 4.46Å; L799-Y967 HydrophobicContact CB-CD2 3.61Å; L799-Y967 HydrophobicContact CB-CE2 4.21Å; L799-Y967 HydrophobicContact CB-CG 3.74Å; L799-Y967 HydrophobicContact CD1-CD1 3.98Å; L799-Y967 HydrophobicContact CD1-CG 3.92Å; L799-Y967 HydrophobicContact CD2-CD1 3.91Å; L799-Y967 HydrophobicContact CD2-CD2 4.06Å; L799-Y967 HydrophobicContact CD2-CE1 3.84Å; L799-Y967 HydrophobicContact CD2-CE2 3.95Å; L799-Y967 HydrophobicContact CD2-CG 4.02Å; L799-Y967 HydrophobicContact CG-CD1 4.36Å; L799-Y967 HydrophobicContact CG-CD2 4.28Å; L799-Y967 HydrophobicContact CG-CG 4.11Å; L799-Y967 VanDerWaalsContact O-CD2 3.29Å; L799-Y967 WeakPolarHBondContact O-CD2 3.25Å; L799-Y967 WeakPolarHBondContact O-CE2 3.16Å
800	Q	98.1	Very high	96.3	Very high	162 Å²	162	47.6 Å²	47.6	76%	0.757	24%	0.241	S	C	*	.	H	α-helix	trans	-60.3	-30.3	173.6	178	175.2	53.2	0	0	112.5	E796 R797	E796-Q800 VanDerWaalsContact O-CB 3.26Å; E796-Q800 WeakPolarHBondContact O-CB 3.38Å; E796-Q800 PolarHBondContact O-N 3.23Å; R797-Q800 PolarHBondContact O-N 2.62Å
801	M	97.7	Very high	95.8	Very high	46 Å²	46	51.4 Å²	51.4	23%	0.227	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	4.8	-178	-68.7	167.7	58.5	0	0	113.4	I758 D759 C763 R797 F798 L799 N825 W826	I758-M801 HydrophobicContact CG2-CE 4.39Å; D759-M801 VanDerWaalsContact OD1-CE 3.28Å; D759-M801 WeakPolarHBondContact OD1-CE 3.04Å; C763-M801 HydrophobicContact CB-CE 3.4Å; C763-M801 VanDerWaalsContact CB-CE 3.4Å; C763-M801 VanDerWaalsContact SG-CE 3.52Å; R797-M801 HydrophobicContact CG-SD 4.42Å; R797-M801 WeakPolarHBondContact O-CG 3.35Å; R797-M801 PolarHBondContact O-N 2.75Å; F798-M801 PolarHBondContact O-N 3.28Å; L799-M801 PolarHBondContact O-N 2.93Å; M801-N825 PolarHBondContact O-ND2 3.08Å; M801-W826 HydrophobicContact CB-CH2 4.11Å; M801-W826 HydrophobicContact CB-CZ2 3.63Å; M801-W826 HydrophobicContact CE-CH2 3.54Å; M801-W826 HydrophobicContact CE-CZ2 4.2Å; M801-W826 HydrophobicContact CE-CZ3 4.39Å; M801-W826 HydrophobicContact SD-CH2 4.27Å
802	C	97.4	Very high	95.3	Very high	16 Å²	16	55.7 Å²	55.7	11%	0.108	29%	0.286	C	S	.	.			trans	-68.6	145.5	169.5	-66.6	0	0	0	0	110.9	F798 L799 D804 N825 W826 S933 Y967	F798-C802 PolarHBondContact O-N 3.41Å; F798-C802 PolarHBondContact O-SG 3.36Å; L799-C802 WeakPolarHBondContact O-CB 3.47Å; L799-C802 PolarHBondContact O-N 3.24Å; C802-D804 WeakPolarHBondContact CB-OD1 3.48Å; C802-N825 WeakPolarHBondContact CA-OD1 3.44Å; C802-W826 PolarHBondContact SG-NE1 2.84Å; C802-W826 VanDerWaalsContact SG-NE1 3.38Å; C802-S933 WeakPolarHBondContact SG-CB 3.43Å; C802-S933 PolarHBondContact SG-OG 3.07Å; C802-Y967 HydrophobicContact CB-CE2 3.9Å
803	N	94.1	Very high	94.8	Very high	94 Å²	94	58.4 Å²	58.4	50%	0.503	31%	0.305	S	S	.	.			trans	-94.8	12.8	-175.7	69.9	-28.2	0	0	0	114.7	D823 C824 N825	N803-D823 PolarHBondContact ND2-O 2.82Å; N803-D823 VanDerWaalsContact ND2-O 3.12Å; N803-C824 VanDerWaalsContact OD1-CA 3.29Å; N803-C824 WeakPolarHBondContact OD1-CA 3.29Å; N803-N825 HydrophobicContact CB-CB 4.44Å; N803-N825 PolarHBondContact N-OD1 3.4Å; N803-N825 VanDerWaalsContact N-OD1 3.16Å; N803-N825 PolarHBondContact OD1-N 3.33Å; N803-N825 PolarHBondContact OD1-OD1 3.3Å; N803-N825 VanDerWaalsContact OD1-OD1 3.08Å
804	D	90.1	Very high	94.1	Very high	32 Å²	32	68.4 Å²	68.4	17%	0.171	35%	0.352	C	S	.	.			trans	-88.2	139.4	179.7	68.8	-49.6	0	0	0	112.4	C802 Y967 R971	C802-D804 WeakPolarHBondContact CB-OD1 3.48Å; D804-Y967 PolarHBondContact OD1-OH 3.06Å; D804-Y967 PolarHBondContact OD2-OH 3.31Å; D804-R971 PolarHBondContact O-NH2 3.3Å; D804-R971 IonicContact OD1-CZ 3.62Å; D804-R971 IonicContact OD1-NE 3.87Å; D804-R971 IonicContact OD1-NH2 3.26Å; D804-R971 PolarHBondContact OD1-NH2 3.07Å; D804-R971 IonicContact OD2-CZ 3.68Å; D804-R971 IonicContact OD2-NE 2.82Å; D804-R971 PolarHBondContact OD2-NE 3.29Å; D804-R971 IonicContact OD2-NH2 3.28Å; D804-R971 PolarHBondContact OD2-NH2 2.79Å; D804-R971 VanDerWaalsContact OD2-NH2 3.11Å
805	D	92.9	Very high	93.6	Very high	90 Å²	90	69.3 Å²	69.3	48%	0.481	36%	0.361	S	S	.	.			trans	-80.3	120	179.8	-171.5	-29.9	0	0	0	110.6	D807 V808	D805-D807 VanDerWaalsContact C-N 3.25Å; D805-D807 PolarHBondContact O-N 2.7Å; D805-D807 PolarHBondContact OD1-N 2.79Å; D805-V808 HydrophobicContact CB-CB 4.12Å; D805-V808 HydrophobicContact CB-CG2 4.03Å; D805-V808 WeakPolarHBondContact OD2-CG2 3.42Å
806	P	95.4	Very high	93.3	Very high	36 Å²	36	69.9 Å²	69.9	23%	0.234	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-17.6	-178.4	30.2	-36.5	0	0	0	114.3	P970 R971 T974	P806-P970 HydrophobicContact CB-CB 3.99Å; P806-P970 HydrophobicContact CB-CG 3.98Å; P806-R971 HydrophobicContact CB-CG 3.96Å; P806-T974 VanDerWaalsContact O-CB 3.29Å; P806-T974 WeakPolarHBondContact O-CB 3.43Å; P806-T974 PolarHBondContact O-OG1 2.79Å
807	D	94.6	Very high	93	Very high	110 Å²	110	69.4 Å²	69.4	59%	0.588	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	-2.1	-174.2	-69.1	-50	0	0	0	112.9	D805	D805-D807 VanDerWaalsContact C-N 3.25Å; D805-D807 PolarHBondContact O-N 2.7Å; D805-D807 PolarHBondContact OD1-N 2.79Å
808	V	92.9	Very high	92.7	Very high	81 Å²	81	66.5 Å²	66.5	49%	0.491	36%	0.358	S	S	.	.			trans	-110.2	121.2	-178.7	179	0	0	0	0	110.7	D805	D805-V808 HydrophobicContact CB-CB 4.12Å; D805-V808 HydrophobicContact CB-CG2 4.03Å; D805-V808 WeakPolarHBondContact OD2-CG2 3.42Å
809	M	92.3	Very high	92.5	Very high	62 Å²	62	70.6 Å²	70.6	31%	0.305	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-77	124.2	170.1	-172.2	71.2	-176.7	0	0	109.3	L812 F937 K941	M809-L812 HydrophobicContact CE-CD1 3.93Å; M809-L812 HydrophobicContact CE-CD2 3.81Å; M809-L812 HydrophobicContact CE-CG 4.07Å; M809-F937 HydrophobicContact CE-CB 3.89Å; M809-F937 HydrophobicContact SD-CB 4.05Å; M809-F937 HydrophobicContact SD-CD1 3.68Å; M809-F937 HydrophobicContact SD-CG 4.18Å; M809-K941 HydrophobicContact CE-CD 4.34Å
810	P	92	Very high	92.3	Very high	31 Å²	31	71.7 Å²	71.7	20%	0.201	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-70.3	155.6	176.2	30.5	-35.5	0	0	0	111.2	L812 L816 F937	P810-L812 PolarHBondContact O-N 3.1Å; P810-L816 HydrophobicContact CB-CD1 3.76Å; P810-L816 HydrophobicContact CG-CD1 4.05Å; P810-F937 HydrophobicContact CG-CB 3.91Å; P810-F937 HydrophobicContact CG-CD2 3.57Å; P810-F937 HydrophobicContact CG-CE2 4.24Å; P810-F937 HydrophobicContact CG-CG 3.8Å
811	N	88.1	Confident	92.1	Very high	144 Å²	144	64.2 Å²	64.2	77%	0.77	34%	0.343	S	S	*	.	P	Polyproline II helix	trans	-65.4	119.8	173.4	-70.8	-29.8	0	0	0	109.9	S813 L816	N811-S813 VanDerWaalsContact C-N 3.26Å; N811-S813 PolarHBondContact O-N 3.31Å; N811-L816 WeakPolarHBondContact O-CD1 3.28Å
812	L	88	Confident	91.9	Very high	89 Å²	89	62.4 Å²	62.4	47%	0.466	33%	0.334	S	S	.	.			trans	-78.3	70.5	-178.2	-60.4	-175.9	0	0	0	111.7	M809 P810 L816 D938 K941	M809-L812 HydrophobicContact CE-CD1 3.93Å; M809-L812 HydrophobicContact CE-CD2 3.81Å; M809-L812 HydrophobicContact CE-CG 4.07Å; P810-L812 PolarHBondContact O-N 3.1Å; L812-L816 HydrophobicContact CD2-CD2 3.57Å; L812-D938 HydrophobicContact CD2-CB 3.82Å; L812-K941 HydrophobicContact CD1-CD 4.28Å
813	S	87.3	Confident	91.7	Very high	58 Å²	58	65.2 Å²	65.2	41%	0.406	35%	0.348	S	S	.	.			trans	-90.4	165.7	172.8	59.9	0	0	0	0	112.2	N811 D815 L816	N811-S813 VanDerWaalsContact C-N 3.26Å; N811-S813 PolarHBondContact O-N 3.31Å; S813-D815 VanDerWaalsContact CB-OD1 3.23Å; S813-D815 WeakPolarHBondContact CB-OD1 3.36Å; S813-D815 PolarHBondContact O-N 3.04Å; S813-D815 PolarHBondContact OG-OD1 3.1Å; S813-L816 WeakPolarHBondContact O-CB 3.22Å; S813-L816 PolarHBondContact O-N 3.37Å
814	E	84.3	Confident	91.7	Very high	210 Å²	210	61 Å²	61	98%	0.981	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-31.5	178.1	-67.2	-174.9	170	0	0	112.9
815	D	87.3	Confident	92	Very high	69 Å²	69	60.4 Å²	60.4	37%	0.369	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	2.2	179.8	68.3	-32.2	0	0	0	113.9	S813 A817 V818 R819	S813-D815 VanDerWaalsContact CB-OD1 3.23Å; S813-D815 WeakPolarHBondContact CB-OD1 3.36Å; S813-D815 PolarHBondContact O-N 3.04Å; S813-D815 PolarHBondContact OG-OD1 3.1Å; D815-A817 VanDerWaalsContact C-N 3.26Å; D815-A817 PolarHBondContact O-N 2.87Å; D815-A817 VanDerWaalsContact O-N 3.11Å; D815-V818 PolarHBondContact O-N 2.92Å; D815-V818 VanDerWaalsContact O-N 3.08Å; D815-R819 WeakPolarHBondContact O-CB 3.21Å; D815-R819 PolarHBondContact O-N 2.88Å
816	L	91.6	Very high	92.2	Very high	12 Å²	12	56.1 Å²	56.1	6%	0.063	30%	0.3	C	S	.	.	H	α-helix	trans	-45.6	-49.4	-175.9	170.4	68.1	0	0	0	112.4	P810 N811 L812 S813 V818 R819 Q820 D938	P810-L816 HydrophobicContact CB-CD1 3.76Å; P810-L816 HydrophobicContact CG-CD1 4.05Å; N811-L816 WeakPolarHBondContact O-CD1 3.28Å; L812-L816 HydrophobicContact CD2-CD2 3.57Å; S813-L816 WeakPolarHBondContact O-CB 3.22Å; S813-L816 PolarHBondContact O-N 3.37Å; L816-V818 PolarHBondContact O-N 2.91Å; L816-R819 PolarHBondContact O-N 3.36Å; L816-Q820 HydrophobicContact CD1-CG 3.69Å; L816-Q820 HydrophobicContact CG-CG 4.28Å; L816-Q820 WeakPolarHBondContact O-CB 3.13Å; L816-Q820 WeakPolarHBondContact O-CG 3.23Å; L816-Q820 PolarHBondContact O-N 3.05Å; L816-D938 HydrophobicContact CD2-CB 3.9Å
817	A	92.2	Very high	92.4	Very high	30 Å²	30	54.4 Å²	54.4	25%	0.248	29%	0.289	C	S	.	.	H	α-helix	trans	-62.1	-42.1	-174	0	0	0	0	0	112.4	D815 L821	D815-A817 VanDerWaalsContact C-N 3.26Å; D815-A817 PolarHBondContact O-N 2.87Å; D815-A817 VanDerWaalsContact O-N 3.11Å; A817-L821 WeakPolarHBondContact O-CD1 3.38Å; A817-L821 VanDerWaalsContact O-CG 3.23Å; A817-L821 WeakPolarHBondContact O-CG 3.48Å; A817-L821 PolarHBondContact O-N 2.76Å
818	V	94.2	Very high	92.6	Very high	20 Å²	20	49.2 Å²	49.2	12%	0.121	26%	0.261	C	S	.	.	H	α-helix	trans	-76.2	-35.9	178.7	-177	0	0	0	0	110.4	M602 C604 D815 L816 L821 Y822 F849	M602-V818 HydrophobicContact CE-CG1 4.19Å; C604-V818 HydrophobicContact CB-CG2 4.14Å; D815-V818 PolarHBondContact O-N 2.92Å; D815-V818 VanDerWaalsContact O-N 3.08Å; L816-V818 PolarHBondContact O-N 2.91Å; V818-L821 WeakPolarHBondContact O-CB 3.38Å; V818-L821 PolarHBondContact O-N 3.05Å; V818-Y822 PolarHBondContact O-N 2.94Å; V818-F849 HydrophobicContact CG1-CE1 3.91Å; V818-F849 HydrophobicContact CG1-CZ 4.3Å
819	R	92.9	Very high	92.9	Very high	89 Å²	89	45.3 Å²	45.3	34%	0.336	24%	0.237	S	C	.	.	H	α-helix	trans	-63.1	-46.7	176.8	-171	69.5	-154.8	-175.4	8.3	112.1	M602 D815 L816 L821 Y822 D823	M602-R819 HydrophobicContact CE-CB 4.23Å; D815-R819 WeakPolarHBondContact O-CB 3.21Å; D815-R819 PolarHBondContact O-N 2.88Å; L816-R819 PolarHBondContact O-N 3.36Å; R819-L821 VanDerWaalsContact C-N 3.28Å; R819-L821 PolarHBondContact O-N 3.01Å; R819-Y822 WeakPolarHBondContact O-CA 3.39Å; R819-Y822 WeakPolarHBondContact O-CB 3.44Å; R819-Y822 PolarHBondContact O-N 3.4Å; R819-D823 WeakPolarHBondContact CG-OD2 3.34Å; R819-D823 IonicContact CZ-OD1 3.64Å; R819-D823 IonicContact NE-OD1 3.5Å; R819-D823 PolarHBondContact NE-OD1 2.86Å; R819-D823 IonicContact NE-OD2 3.31Å; R819-D823 PolarHBondContact NE-OD2 2.82Å; R819-D823 VanDerWaalsContact NE-OD2 3.12Å; R819-D823 IonicContact NH2-OD1 3.69Å; R819-D823 PolarHBondContact NH2-OD1 2.99Å; R819-D823 IonicContact NH2-OD2 2.76Å; R819-D823 PolarHBondContact O-N 3.25Å
820	Q	94.3	Very high	93.2	Very high	24 Å²	24	43 Å²	43	11%	0.112	23%	0.226	C	C	.	.	H	α-helix	trans	-58.7	-40.1	174	-74.2	-173.4	-62	0	0	112.2	L816 Y822 D823 C824 P934 F935	L816-Q820 HydrophobicContact CD1-CG 3.69Å; L816-Q820 HydrophobicContact CG-CG 4.28Å; L816-Q820 WeakPolarHBondContact O-CB 3.13Å; L816-Q820 WeakPolarHBondContact O-CG 3.23Å; L816-Q820 PolarHBondContact O-N 3.05Å; Q820-Y822 VanDerWaalsContact C-N 3.28Å; Q820-Y822 PolarHBondContact O-N 2.55Å; Q820-D823 PolarHBondContact O-N 2.86Å; Q820-C824 VanDerWaalsContact O-CB 3.3Å; Q820-C824 WeakPolarHBondContact O-CB 3.29Å; Q820-C824 PolarHBondContact O-N 2.79Å; Q820-C824 PolarHBondContact O-SG 3.25Å; Q820-P934 HydrophobicContact CB-CB 3.76Å; Q820-P934 HydrophobicContact CB-CG 3.71Å; Q820-F935 PolarHBondContact NE2-O 3.48Å; Q820-F935 VanDerWaalsContact NE2-O 3.17Å
821	L	95.7	Very high	93.5	Very high	6 Å²	6	41.6 Å²	41.6	3%	0.031	22%	0.217	C	C	.	.	H	α-helix	trans	-65.6	-32.5	175.6	-69.7	169.3	0	0	0	112	A817 V818 R819 C824 I827 L847 F849 K851 P934	A817-L821 WeakPolarHBondContact O-CD1 3.38Å; A817-L821 VanDerWaalsContact O-CG 3.23Å; A817-L821 WeakPolarHBondContact O-CG 3.48Å; A817-L821 PolarHBondContact O-N 2.76Å; V818-L821 WeakPolarHBondContact O-CB 3.38Å; V818-L821 PolarHBondContact O-N 3.05Å; R819-L821 VanDerWaalsContact C-N 3.28Å; R819-L821 PolarHBondContact O-N 3.01Å; L821-C824 PolarHBondContact O-SG 2.95Å; L821-I827 HydrophobicContact CD2-CD1 3.65Å; L821-I827 HydrophobicContact CD2-CG1 3.66Å; L821-I827 HydrophobicContact CD2-CG2 4.22Å; L821-L847 HydrophobicContact CD1-CD2 4.18Å; L821-F849 HydrophobicContact CB-CE2 4.1Å; L821-F849 HydrophobicContact CB-CZ 3.78Å; L821-F849 WeakPolarHBondContact O-CE2 3.46Å; L821-K851 VanDerWaalsContact O-CE 3.29Å; L821-K851 WeakPolarHBondContact O-CE 3.23Å; L821-K851 WeakPolarHBondContact O-CG 3.4Å; L821-P934 HydrophobicContact CD2-CG 3.95Å; L821-P934 HydrophobicContact CG-CG 4.33Å
822	Y	93.4	Very high	94	Very high	7 Å²	7	34.7 Å²	34.7	3%	0.027	18%	0.18	C	C	.	.	H	α-helix	trans	-73.3	-40.8	176.1	179.8	-105.5	0	0	0	112.2	Q598 P599 M602 V818 R819 Q820 F849 K851	Q598-Y822 PolarHBondContact OE1-OH 2.57Å; P599-Y822 HydrophobicContact CG-CD2 3.78Å; P599-Y822 HydrophobicContact CG-CE2 3.33Å; M602-Y822 HydrophobicContact CE-CG 4.39Å; V818-Y822 PolarHBondContact O-N 2.94Å; R819-Y822 WeakPolarHBondContact O-CA 3.39Å; R819-Y822 WeakPolarHBondContact O-CB 3.44Å; R819-Y822 PolarHBondContact O-N 3.4Å; Q820-Y822 VanDerWaalsContact C-N 3.28Å; Q820-Y822 PolarHBondContact O-N 2.55Å; Y822-F849 HydrophobicContact CD2-CB 4.18Å; Y822-F849 AromaticContact CD2-CD1 3.6Å; Y822-F849 HydrophobicContact CD2-CD1 3.6Å; Y822-F849 HydrophobicContact CD2-CD2 4.29Å; Y822-F849 AromaticContact CD2-CE1 3.99Å; Y822-F849 HydrophobicContact CD2-CE1 3.99Å; Y822-F849 AromaticContact CD2-CG 3.77Å; Y822-F849 HydrophobicContact CD2-CG 3.77Å; Y822-F849 HydrophobicContact CD2-CZ 4.48Å; Y822-F849 HydrophobicContact CE2-CB 4.48Å; Y822-F849 HydrophobicContact CG-CD1 4.35Å; Y822-F849 HydrophobicContact CG-CE1 4.29Å; Y822-F849 VanDerWaalsContact N-CZ 3.33Å; Y822-K851 WeakPolarHBondContact O-CE 3.25Å; Y822-K851 PolarHBondContact O-NZ 3.34Å
823	D	91.8	Very high	94.4	Very high	76 Å²	76	31.4 Å²	31.4	41%	0.406	16%	0.164	S	C	.	.	H	α-helix	trans	-81.7	-27.1	-175.1	-62.2	-29.4	0	0	0	112.6	N803 R819 Q820	N803-D823 PolarHBondContact ND2-O 2.82Å; N803-D823 VanDerWaalsContact ND2-O 3.12Å; R819-D823 WeakPolarHBondContact CG-OD2 3.34Å; R819-D823 IonicContact CZ-OD1 3.64Å; R819-D823 IonicContact NE-OD1 3.5Å; R819-D823 PolarHBondContact NE-OD1 2.86Å; R819-D823 IonicContact NE-OD2 3.31Å; R819-D823 PolarHBondContact NE-OD2 2.82Å; R819-D823 VanDerWaalsContact NE-OD2 3.12Å; R819-D823 IonicContact NH2-OD1 3.69Å; R819-D823 PolarHBondContact NH2-OD1 2.99Å; R819-D823 IonicContact NH2-OD2 2.76Å; R819-D823 PolarHBondContact O-N 3.25Å; Q820-D823 PolarHBondContact O-N 2.86Å
824	C	95	Very high	95	Very high	5 Å²	5	28.6 Å²	28.6	3%	0.034	15%	0.145	C	C	.	.	S	Bend	trans	-67.7	148.9	-179.9	70.4	0	0	0	0	112.4	N803 Q820 L821 W826 K851 P934	N803-C824 VanDerWaalsContact OD1-CA 3.29Å; N803-C824 WeakPolarHBondContact OD1-CA 3.29Å; Q820-C824 VanDerWaalsContact O-CB 3.3Å; Q820-C824 WeakPolarHBondContact O-CB 3.29Å; Q820-C824 PolarHBondContact O-N 2.79Å; Q820-C824 PolarHBondContact O-SG 3.25Å; L821-C824 PolarHBondContact O-SG 2.95Å; C824-W826 PolarHBondContact SG-O 3.41Å; C824-W826 VanDerWaalsContact SG-O 3.35Å; C824-K851 WeakPolarHBondContact O-CD 3.18Å; C824-K851 WeakPolarHBondContact O-CE 3.39Å; C824-K851 PolarHBondContact O-NZ 3.32Å; C824-P934 HydrophobicContact CB-CB 4.31Å; C824-P934 HydrophobicContact CB-CG 4.47Å
825	N	95.8	Very high	95.7	Very high	20 Å²	20	18.9 Å²	18.9	11%	0.107	10%	0.101	C	C	.	.	S	Bend	trans	-67.4	-37.9	175	61.4	-44	0	0	0	112.9	C763 M801 C802 N803	C763-N825 PolarHBondContact SG-ND2 3.31Å; M801-N825 PolarHBondContact O-ND2 3.08Å; C802-N825 WeakPolarHBondContact CA-OD1 3.44Å; N803-N825 HydrophobicContact CB-CB 4.44Å; N803-N825 PolarHBondContact N-OD1 3.4Å; N803-N825 VanDerWaalsContact N-OD1 3.16Å; N803-N825 PolarHBondContact OD1-N 3.33Å; N803-N825 PolarHBondContact OD1-OD1 3.3Å; N803-N825 VanDerWaalsContact OD1-OD1 3.08Å
826	W	97.7	Very high	96.2	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.085	C	C	.	.			trans	-154.9	170.5	175	54.6	31.2	0	0	0	111.9	I758 I762 C763 F798 M801 C802 C824 P852	I758-W826 HydrophobicContact CG2-CH2 3.91Å; I758-W826 HydrophobicContact CG2-CZ3 3.98Å; I762-W826 HydrophobicContact CB-CZ3 4.49Å; I762-W826 HydrophobicContact CG2-CE3 3.97Å; I762-W826 HydrophobicContact CG2-CZ3 4.14Å; C763-W826 VanDerWaalsContact CA-CE3 3.5Å; C763-W826 HydrophobicContact CB-CE3 3.9Å; C763-W826 HydrophobicContact CB-CH2 3.52Å; C763-W826 HydrophobicContact CB-CZ2 4.34Å; C763-W826 HydrophobicContact CB-CZ3 3.24Å; F798-W826 HydrophobicContact CB-CZ2 4.27Å; F798-W826 AromaticContact CD1-CH2 3.88Å; F798-W826 HydrophobicContact CD1-CH2 3.88Å; F798-W826 AromaticContact CD1-CZ2 3.98Å; F798-W826 HydrophobicContact CD1-CZ2 3.98Å; F798-W826 HydrophobicContact CD1-CZ3 4.46Å; F798-W826 VanDerWaalsContact O-CZ2 3.31Å; F798-W826 WeakPolarHBondContact O-CZ2 3.44Å; F798-W826 PolarHBondContact O-NE1 3.11Å; M801-W826 HydrophobicContact CB-CH2 4.11Å; M801-W826 HydrophobicContact CB-CZ2 3.63Å; M801-W826 HydrophobicContact CE-CH2 3.54Å; M801-W826 HydrophobicContact CE-CZ2 4.2Å; M801-W826 HydrophobicContact CE-CZ3 4.39Å; M801-W826 HydrophobicContact SD-CH2 4.27Å; C802-W826 PolarHBondContact SG-NE1 2.84Å; C802-W826 VanDerWaalsContact SG-NE1 3.38Å; C824-W826 PolarHBondContact SG-O 3.41Å; C824-W826 VanDerWaalsContact SG-O 3.35Å; W826-P852 HydrophobicContact CB-CB 4.02Å; W826-P852 HydrophobicContact CB-CG 4.42Å
827	I	98.6	Very high	96.5	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	133	-179.9	-54.4	165.5	0	0	0	108.6	L821 V829 L847 K851 P852 L853 I854 S933	L821-I827 HydrophobicContact CD2-CD1 3.65Å; L821-I827 HydrophobicContact CD2-CG1 3.66Å; L821-I827 HydrophobicContact CD2-CG2 4.22Å; I827-V829 HydrophobicContact CG2-CG1 4.03Å; I827-L847 HydrophobicContact CD1-CD1 4.37Å; I827-K851 HydrophobicContact CD1-CB 3.98Å; I827-K851 HydrophobicContact CG1-CB 4.15Å; I827-P852 PolarHBondContact N-O 3.13Å; I827-L853 HydrophobicContact CB-CD1 3.75Å; I827-L853 HydrophobicContact CG2-CD1 3.57Å; I827-I854 PolarHBondContact O-N 3.17Å; I827-S933 WeakPolarHBondContact CA-O 3.35Å
828	V	98.9	Very high	96.8	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	119.8	179.5	-177	0	0	0	0	109.9	F798 L799 I854 F856 L932 S933	F798-V828 HydrophobicContact CB-CG2 4.49Å; L799-V828 HydrophobicContact CD2-CB 4.12Å; L799-V828 HydrophobicContact CD2-CG1 3.92Å; L799-V828 HydrophobicContact CD2-CG2 4.34Å; L799-V828 HydrophobicContact CG-CG1 4.44Å; V828-I854 HydrophobicContact CG2-CB 4.28Å; V828-I854 HydrophobicContact CG2-CG1 4.31Å; V828-F856 HydrophobicContact CG1-CD2 4.37Å; V828-F856 HydrophobicContact CG1-CE2 3.43Å; V828-F856 VanDerWaalsContact CG1-CE2 3.43Å; V828-F856 HydrophobicContact CG1-CZ 4.02Å; V828-L932 PolarHBondContact O-N 3.3Å; V828-S933 PolarHBondContact N-O 3Å; V828-S933 PolarHBondContact O-N 3.27Å
829	V	98.9	Very high	97.1	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	147.3	-178.3	-55.5	0	0	0	0	112.5	I827 V840 L853 I854 V855 F856 F880 E930 Q931	I827-V829 HydrophobicContact CG2-CG1 4.03Å; V829-V840 HydrophobicContact CG1-CG2 4.12Å; V829-V840 HydrophobicContact CG2-CG2 4.27Å; V829-L853 HydrophobicContact CG1-CD1 4.13Å; V829-L853 HydrophobicContact CG2-CD1 3.97Å; V829-I854 PolarHBondContact N-O 2.94Å; V829-V855 HydrophobicContact CG2-CB 4.16Å; V829-V855 HydrophobicContact CG2-CG1 4Å; V829-V855 HydrophobicContact CG2-CG2 3.88Å; V829-F856 WeakPolarHBondContact O-CD2 3.46Å; V829-F856 PolarHBondContact O-N 3.4Å; V829-F880 HydrophobicContact CG1-CZ 3.97Å; V829-E930 CarbonylContact C-O 3.48Å; V829-E930 WeakPolarHBondContact CA-O 3.34Å; V829-E930 WeakPolarHBondContact CB-O 3.33Å; V829-Q931 HydrophobicContact CG1-CB 4.13Å; V829-Q931 HydrophobicContact CG1-CG 4.24Å
830	N	98.8	Very high	97.3	Very high	12 Å²	12	8.9 Å²	8.9	6%	0.064	5%	0.049	C	C	.	.			trans	-132.5	89.4	167.8	-176	-0.5	0	0	0	107.6	F856 T904 G905 E930 Y964	N830-F856 HydrophobicContact CB-CB 4.14Å; N830-F856 HydrophobicContact CB-CD2 4.06Å; N830-F856 PolarHBondContact OD1-O 2.81Å; N830-T904 WeakPolarHBondContact CB-OG1 3.35Å; N830-G905 VanDerWaalsContact CG-CA 3.47Å; N830-G905 WeakPolarHBondContact ND2-CA 3.47Å; N830-G905 VanDerWaalsContact OD1-CA 3.25Å; N830-G905 WeakPolarHBondContact OD1-CA 3.5Å; N830-E930 PolarHBondContact N-O 3.48Å; N830-Y964 PolarHBondContact ND2-OH 2.96Å
831	C	98.6	Very high	97.6	Very high	2 Å²	2	7.7 Å²	7.7	1%	0.014	4%	0.044	C	C	.	.			trans	-70.3	144.2	-175.7	-63.5	0	0	0	0	110.3	W653 E930	W653-C831 HydrophobicContact CH2-CB 4Å; W653-C831 WeakPolarHBondContact CH2-O 3.26Å; W653-C831 HydrophobicContact CZ2-CB 3.97Å; C831-E930 WeakPolarHBondContact CA-OE2 3.36Å
832	S	98.1	Very high	97.7	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.044	C	C	.	.	S	Bend	trans	-106.5	-13	172.4	65.3	0	0	0	0	113.4	Y909 R928 E930	S832-Y909 WeakPolarHBondContact O-CE2 3.39Å; S832-Y909 PolarHBondContact O-OH 2.91Å; S832-R928 VanDerWaalsContact OG-CD 3.23Å; S832-R928 WeakPolarHBondContact OG-CD 3.45Å; S832-R928 PolarHBondContact OG-NH1 2.76Å; S832-E930 WeakPolarHBondContact CB-OE1 3.33Å; S832-E930 VanDerWaalsContact N-CD 3.32Å; S832-E930 PolarHBondContact N-OE1 3.24Å; S832-E930 PolarHBondContact N-OE2 3.38Å; S832-E930 PolarHBondContact OG-OE1 3.45Å
833	S	98.3	Very high	97.9	Very high	19 Å²	19	8.1 Å²	8.1	13%	0.133	5%	0.045	C	C	.	.	S	Bend	trans	-129.6	146.2	-179.2	69.2	0	0	0	0	113.6	G835 N836 Y837	S833-G835 PolarHBondContact O-N 3.08Å; S833-N836 PolarHBondContact O-N 3.45Å; S833-N836 WeakPolarHBondContact OG-CB 3.41Å; S833-Y837 PolarHBondContact O-N 3.46Å
834	P	98.6	Very high	98.2	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-56.8	-41.2	176.6	-27.9	35	0	0	0	114.6	V651 W653 A656 N836 Y837 F838 A867 S869	V651-P834 HydrophobicContact CG2-CB 4.07Å; W653-P834 HydrophobicContact CE3-CG 3.88Å; W653-P834 HydrophobicContact CZ3-CG 4.45Å; A656-P834 HydrophobicContact CB-CB 3.64Å; A656-P834 WeakPolarHBondContact CB-O 3.38Å; P834-N836 VanDerWaalsContact C-N 3.31Å; P834-N836 PolarHBondContact O-N 3.29Å; P834-Y837 WeakPolarHBondContact O-CB 3.4Å; P834-Y837 PolarHBondContact O-N 3.37Å; P834-F838 PolarHBondContact O-N 3.45Å; P834-A867 VanDerWaalsContact CG-O 3.32Å; P834-A867 WeakPolarHBondContact CG-O 3.29Å; P834-S869 WeakPolarHBondContact CD-OG 3.31Å
835	G	98.4	Very high	98.3	Very high	6 Å²	6	5 Å²	5	6%	0.062	3%	0.028	C	C	.	.	H	α-helix	trans	-62.8	-36.4	179.6	0	0	0	0	0	112.9	S833 F838 H839 S869	S833-G835 PolarHBondContact O-N 3.08Å; G835-F838 WeakPolarHBondContact O-CB 3.17Å; G835-F838 PolarHBondContact O-N 3.36Å; G835-H839 PolarHBondContact O-CD2 3.27Å; G835-H839 VanDerWaalsContact O-CD2 3.3Å; G835-H839 PolarHBondContact O-N 2.9Å; G835-H839 VanDerWaalsContact O-N 3.13Å; G835-S869 PolarHBondContact N-OG 3.26Å
836	N	98.4	Very high	98.3	Very high	4 Å²	4	6.1 Å²	6.1	2%	0.021	3%	0.033	C	C	.	.	H	α-helix	trans	-71.6	-37.2	175.8	-147.5	32.9	0	0	0	111.8	S833 P834 H839 V840 F880 Q881 E930	S833-N836 PolarHBondContact O-N 3.45Å; S833-N836 WeakPolarHBondContact OG-CB 3.41Å; P834-N836 VanDerWaalsContact C-N 3.31Å; P834-N836 PolarHBondContact O-N 3.29Å; N836-H839 PolarHBondContact O-N 3.04Å; N836-V840 PolarHBondContact O-N 2.94Å; N836-F880 HydrophobicContact CB-CD2 4.48Å; N836-F880 HydrophobicContact CB-CE2 4.45Å; N836-F880 VanDerWaalsContact CG-CD2 3.45Å; N836-F880 VanDerWaalsContact CG-CE2 3.42Å; N836-F880 WeakPolarHBondContact ND2-CE2 3.34Å; N836-F880 WeakPolarHBondContact O-CD2 3.46Å; N836-F880 WeakPolarHBondContact OD1-CA 3.22Å; N836-F880 WeakPolarHBondContact OD1-CD2 3.24Å; N836-F880 WeakPolarHBondContact OD1-CE2 3.2Å; N836-Q881 PolarHBondContact ND2-O 3.26Å; N836-Q881 PolarHBondContact OD1-N 3.25Å; N836-E930 VanDerWaalsContact ND2-CB 3.28Å; N836-E930 WeakPolarHBondContact ND2-CB 3.37Å; N836-E930 WeakPolarHBondContact ND2-CG 3.48Å; N836-E930 PolarHBondContact ND2-OE2 3.16Å
837	Y	98.8	Very high	98.2	Very high	1 Å²	1	6.3 Å²	6.3	0%	0.004	3%	0.034	C	C	.	.	H	α-helix	trans	-62.3	-41.2	172	-177.5	-126.8	0	0	0	112	W653 E657 L778 S833 P834 H839 V840 L841 V855 T857	W653-Y837 AromaticContact CD1-CD1 3.48Å; W653-Y837 VanDerWaalsContact CD1-CD1 3.48Å; W653-Y837 AromaticContact CD1-CE1 3.64Å; W653-Y837 AromaticContact CE2-CD1 3.92Å; W653-Y837 AromaticContact CE2-CG 3.96Å; W653-Y837 HydrophobicContact CG-CD1 4.41Å; W653-Y837 HydrophobicContact CZ2-CG 4.2Å; W653-Y837 AromaticContact NE1-CD1 3.09Å; W653-Y837 AromaticContact NE1-CE1 3.42Å; W653-Y837 AromaticContact NE1-CG 3.48Å; E657-Y837 HydrophobicContact CB-CD1 4.41Å; E657-Y837 HydrophobicContact CB-CE1 3.78Å; E657-Y837 HydrophobicContact CG-CE1 3.87Å; E657-Y837 PolarHBondContact OE2-OH 2.99Å; L778-Y837 HydrophobicContact CD2-CE2 4.27Å; S833-Y837 PolarHBondContact O-N 3.46Å; P834-Y837 WeakPolarHBondContact O-CB 3.4Å; P834-Y837 PolarHBondContact O-N 3.37Å; Y837-H839 VanDerWaalsContact C-N 3.33Å; Y837-H839 PolarHBondContact O-N 3.48Å; Y837-V840 HydrophobicContact CD2-CG1 4.14Å; Y837-V840 WeakPolarHBondContact O-CG1 3.07Å; Y837-V840 PolarHBondContact O-N 3.42Å; Y837-L841 HydrophobicContact CD1-CD1 4.41Å; Y837-L841 HydrophobicContact CD2-CD1 4.44Å; Y837-L841 HydrophobicContact CD2-CG 4.33Å; Y837-L841 HydrophobicContact CE1-CD1 3.98Å; Y837-L841 HydrophobicContact CE2-CD1 3.96Å; Y837-L841 HydrophobicContact CE2-CD2 4.05Å; Y837-L841 HydrophobicContact CE2-CG 3.99Å; Y837-L841 WeakPolarHBondContact O-CG 3.33Å; Y837-L841 PolarHBondContact O-N 3.03Å; Y837-V855 HydrophobicContact CD2-CG1 4.21Å; Y837-V855 HydrophobicContact CE2-CG1 3.99Å; Y837-T857 HydrophobicContact CE2-CG2 4.41Å
838	F	98.9	Very high	98	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-55.8	-47.6	172.4	165.3	-91.5	0	0	0	112	I609 A656 M659 A660 P834 G835 R842 M874	I609-F838 HydrophobicContact CD1-CE2 4.14Å; I609-F838 HydrophobicContact CD1-CZ 3.95Å; I609-F838 HydrophobicContact CG1-CZ 3.94Å; I609-F838 HydrophobicContact CG2-CZ 4.11Å; A656-F838 HydrophobicContact CB-CB 4.28Å; M659-F838 HydrophobicContact CB-CD2 4.09Å; M659-F838 HydrophobicContact CB-CE2 4.01Å; A660-F838 HydrophobicContact CB-CB 4.45Å; A660-F838 HydrophobicContact CB-CD2 3.55Å; A660-F838 HydrophobicContact CB-CE2 4.12Å; A660-F838 HydrophobicContact CB-CG 4.23Å; P834-F838 PolarHBondContact O-N 3.45Å; G835-F838 WeakPolarHBondContact O-CB 3.17Å; G835-F838 PolarHBondContact O-N 3.36Å; F838-R842 PolarHBondContact O-N 3.45Å; F838-M874 HydrophobicContact CB-CE 3.95Å; F838-M874 HydrophobicContact CD1-CB 4.15Å; F838-M874 HydrophobicContact CD1-CE 3.83Å; F838-M874 HydrophobicContact CD1-CG 3.82Å; F838-M874 HydrophobicContact CD2-CE 3.32Å; F838-M874 HydrophobicContact CE1-CB 4Å; F838-M874 HydrophobicContact CE1-CE 4.13Å; F838-M874 HydrophobicContact CE1-CG 4.2Å; F838-M874 HydrophobicContact CE2-CE 3.65Å; F838-M874 HydrophobicContact CG-CE 3.43Å; F838-M874 VanDerWaalsContact CG-CE 3.43Å; F838-M874 HydrophobicContact CG-CG 4.26Å; F838-M874 HydrophobicContact CG-SD 4.42Å; F838-M874 HydrophobicContact CZ-CE 4.05Å
839	H	98.9	Very high	97.7	Very high	4 Å²	4	7.1 Å²	7.1	2%	0.019	4%	0.04	C	C	.	.	H	α-helix	trans	-68.6	-39.8	-178.8	-72.9	-44	0	0	0	113.6	T607 G835 N836 Y837 L841 R842 R843 G873 T878 H879 F880	T607-H839 WeakPolarHBondContact CB-ND1 3.41Å; T607-H839 PolarHBondContact OG1-ND1 3.02Å; G835-H839 PolarHBondContact O-CD2 3.27Å; G835-H839 VanDerWaalsContact O-CD2 3.3Å; G835-H839 PolarHBondContact O-N 2.9Å; G835-H839 VanDerWaalsContact O-N 3.13Å; N836-H839 PolarHBondContact O-N 3.04Å; Y837-H839 VanDerWaalsContact C-N 3.33Å; Y837-H839 PolarHBondContact O-N 3.48Å; H839-L841 VanDerWaalsContact C-N 3.29Å; H839-L841 PolarHBondContact O-N 3.5Å; H839-R842 PolarHBondContact O-N 2.85Å; H839-R843 VanDerWaalsContact O-CB 3.26Å; H839-R843 WeakPolarHBondContact O-CB 3.25Å; H839-R843 PolarHBondContact O-N 2.92Å; H839-G873 PolarHBondContact NE2-O 3.29Å; H839-T878 PolarHBondContact CE1-OG1 2.87Å; H839-T878 PolarHBondContact NE2-OG1 3.45Å; H839-H879 VanDerWaalsContact CD2-C 3.45Å; H839-H879 PolarHBondContact CD2-O 2.88Å; H839-H879 VanDerWaalsContact CD2-O 3.3Å; H839-F880 HydrophobicContact CB-CB 3.78Å; H839-F880 HydrophobicContact CB-CD2 4.49Å
840	V	98.8	Very high	97.6	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-65.1	-36.8	-177.5	83	0	0	0	0	111.7	V829 N836 Y837 R843 Q844 L853 F880	V829-V840 HydrophobicContact CG1-CG2 4.12Å; V829-V840 HydrophobicContact CG2-CG2 4.27Å; N836-V840 PolarHBondContact O-N 2.94Å; Y837-V840 HydrophobicContact CD2-CG1 4.14Å; Y837-V840 WeakPolarHBondContact O-CG1 3.07Å; Y837-V840 PolarHBondContact O-N 3.42Å; V840-R843 PolarHBondContact O-N 3.06Å; V840-Q844 PolarHBondContact O-N 3.34Å; V840-L853 HydrophobicContact CG1-CD2 4.3Å; V840-L853 HydrophobicContact CG2-CD1 4.09Å; V840-L853 HydrophobicContact CG2-CD2 3.94Å; V840-F880 HydrophobicContact CB-CD2 3.58Å; V840-F880 HydrophobicContact CB-CE2 3.7Å; V840-F880 HydrophobicContact CB-CG 4.42Å; V840-F880 HydrophobicContact CG2-CD2 3.95Å; V840-F880 HydrophobicContact CG2-CE2 3.85Å; V840-F880 HydrophobicContact CG2-CZ 4.32Å
841	L	98.8	Very high	97.5	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-65.3	-46.3	175.6	-67.5	178.7	0	0	0	111.8	E657 A660 L661 L742 V776 Y837 H839 R843 Q844	E657-L841 HydrophobicContact CG-CD1 4.25Å; A660-L841 HydrophobicContact CB-CB 4.06Å; A660-L841 HydrophobicContact CB-CD1 4.02Å; L661-L841 HydrophobicContact CD2-CD1 4.32Å; L742-L841 HydrophobicContact CD2-CD2 3.96Å; V776-L841 HydrophobicContact CG1-CD2 4.32Å; Y837-L841 HydrophobicContact CD1-CD1 4.41Å; Y837-L841 HydrophobicContact CD2-CD1 4.44Å; Y837-L841 HydrophobicContact CD2-CG 4.33Å; Y837-L841 HydrophobicContact CE1-CD1 3.98Å; Y837-L841 HydrophobicContact CE2-CD1 3.96Å; Y837-L841 HydrophobicContact CE2-CD2 4.05Å; Y837-L841 HydrophobicContact CE2-CG 3.99Å; Y837-L841 WeakPolarHBondContact O-CG 3.33Å; Y837-L841 PolarHBondContact O-N 3.03Å; H839-L841 VanDerWaalsContact C-N 3.29Å; H839-L841 PolarHBondContact O-N 3.5Å; L841-R843 VanDerWaalsContact C-N 3.34Å; L841-R843 PolarHBondContact O-N 2.96Å; L841-Q844 WeakPolarHBondContact O-CB 3.3Å; L841-Q844 PolarHBondContact O-N 2.91Å
842	R	98.7	Very high	97.5	Very high	7 Å²	7	7.1 Å²	7.1	3%	0.026	4%	0.04	C	C	.	.	H	α-helix	trans	-66.4	-36	176.6	-71.8	-179.3	57.3	70.4	3.7	112.4	T607 A660 S663 L664 E667 F838 H839 Q844 I845 L846	T607-R842 HydrophobicContact CG2-CB 4.23Å; T607-R842 WeakPolarHBondContact O-CD 3.49Å; T607-R842 PolarHBondContact O-NE 3.32Å; A660-R842 HydrophobicContact CB-CG 4.27Å; S663-R842 WeakPolarHBondContact OG-CD 3.2Å; S663-R842 PolarHBondContact OG-NH1 2.99Å; L664-R842 HydrophobicContact CD1-CG 4.5Å; L664-R842 HydrophobicContact CD2-CG 4.41Å; L664-R842 HydrophobicContact CG-CG 4.28Å; E667-R842 IonicContact OE1-CZ 2.63Å; E667-R842 VanDerWaalsContact OE1-CZ 3.29Å; E667-R842 IonicContact OE1-NH1 3.97Å; E667-R842 PolarHBondContact OE1-NH1 3.47Å; E667-R842 IonicContact OE1-NH2 2.73Å; E667-R842 PolarHBondContact OE1-NH2 3.3Å; E667-R842 IonicContact OE2-CZ 2.83Å; E667-R842 IonicContact OE2-NH1 3.2Å; E667-R842 PolarHBondContact OE2-NH1 3.01Å; E667-R842 IonicContact OE2-NH2 3.92Å; E667-R842 PolarHBondContact OE2-NH2 3.31Å; F838-R842 PolarHBondContact O-N 3.45Å; H839-R842 PolarHBondContact O-N 2.85Å; R842-Q844 PolarHBondContact O-N 3.22Å; R842-I845 PolarHBondContact O-N 2.83Å; R842-I845 VanDerWaalsContact O-N 3.15Å; R842-L846 PolarHBondContact O-N 2.85Å; R842-L846 VanDerWaalsContact O-N 3.15Å
843	R	98.3	Very high	97.5	Very high	14 Å²	14	7.1 Å²	7.1	5%	0.053	4%	0.04	C	C	.	.	H	α-helix	trans	-57.2	-37.3	177.5	-173.1	173.8	66.4	164.6	3.2	111.9	T607 H839 V840 L841 I845 L846 L847	T607-R843 HydrophobicContact CG2-CB 3.97Å; H839-R843 VanDerWaalsContact O-CB 3.26Å; H839-R843 WeakPolarHBondContact O-CB 3.25Å; H839-R843 PolarHBondContact O-N 2.92Å; V840-R843 PolarHBondContact O-N 3.06Å; L841-R843 VanDerWaalsContact C-N 3.34Å; L841-R843 PolarHBondContact O-N 2.96Å; R843-I845 PolarHBondContact O-N 3.2Å; R843-I845 VanDerWaalsContact O-N 3.16Å; R843-L846 PolarHBondContact O-N 3.03Å; R843-L847 HydrophobicContact CG-CD1 4.18Å; R843-L847 HydrophobicContact CG-CG 4.11Å; R843-L847 VanDerWaalsContact O-CG 3.24Å; R843-L847 WeakPolarHBondContact O-CG 3.28Å; R843-L847 PolarHBondContact O-N 3.4Å
844	Q	97.2	Very high	97.6	Very high	2 Å²	2	6.2 Å²	6.2	1%	0.009	3%	0.033	C	C	.	.	H	α-helix	trans	-53.8	-36.7	178.1	-75.6	-64.3	104	0	0	113.5	L740 G774 V776 V840 L841 R842 R850 K851 L853	L740-Q844 HydrophobicContact CD1-CB 3.86Å; L740-Q844 HydrophobicContact CD1-CG 4.39Å; G774-Q844 PolarHBondContact O-NE2 3.15Å; V776-Q844 HydrophobicContact CG2-CG 4.01Å; V840-Q844 PolarHBondContact O-N 3.34Å; L841-Q844 WeakPolarHBondContact O-CB 3.3Å; L841-Q844 PolarHBondContact O-N 2.91Å; R842-Q844 PolarHBondContact O-N 3.22Å; Q844-R850 PolarHBondContact O-NH1 2.85Å; Q844-K851 PolarHBondContact NE2-O 2.95Å; Q844-L853 VanDerWaalsContact CD-CB 3.44Å; Q844-L853 HydrophobicContact CG-CB 4.12Å; Q844-L853 HydrophobicContact CG-CD2 3.52Å; Q844-L853 HydrophobicContact CG-CG 4.43Å
845	I	96.8	Very high	97.6	Very high	14 Å²	14	6.3 Å²	6.3	7%	0.072	3%	0.034	C	C	.	.	H	α-helix	trans	-87.8	-39.4	-178.4	-61.1	-58.9	0	0	0	111.9	L664 I669 A739 L740 R842 R843 L847 R850	L664-I845 HydrophobicContact CD1-CG1 4.02Å; L664-I845 HydrophobicContact CD2-CB 3.99Å; L664-I845 HydrophobicContact CD2-CG1 4.09Å; L664-I845 HydrophobicContact CD2-CG2 4.16Å; I669-I845 HydrophobicContact CD1-CG2 3.9Å; I669-I845 HydrophobicContact CG1-CG2 3.97Å; I669-I845 HydrophobicContact CG2-CD1 4.04Å; I669-I845 HydrophobicContact CG2-CG1 4.08Å; I669-I845 HydrophobicContact CG2-CG2 4.06Å; A739-I845 VanDerWaalsContact C-CD1 3.5Å; A739-I845 WeakPolarHBondContact O-CD1 3.27Å; L740-I845 HydrophobicContact CB-CD1 3.92Å; L740-I845 HydrophobicContact CB-CG1 4.14Å; L740-I845 HydrophobicContact CD1-CD1 4.27Å; L740-I845 HydrophobicContact CD1-CG1 4.29Å; R842-I845 PolarHBondContact O-N 2.83Å; R842-I845 VanDerWaalsContact O-N 3.15Å; R843-I845 PolarHBondContact O-N 3.2Å; R843-I845 VanDerWaalsContact O-N 3.16Å; I845-L847 VanDerWaalsContact C-N 3.27Å; I845-L847 PolarHBondContact O-N 3.42Å; I845-R850 PolarHBondContact O-NH1 2.81Å; I845-R850 PolarHBondContact O-NH2 2.94Å
846	L	96.1	Very high	97.6	Very high	43 Å²	43	6 Å²	6	23%	0.225	3%	0.031	C	C	.	.	H	α-helix	trans	-75.6	-13.4	-176.4	-66.5	178.8	0	0	0	113.9	P605 T607 R842 R843	P605-L846 WeakPolarHBondContact CD-O 3.24Å; P605-L846 HydrophobicContact CG-CB 4Å; P605-L846 HydrophobicContact CG-CD1 4.38Å; P605-L846 HydrophobicContact CG-CD2 4.28Å; P605-L846 HydrophobicContact CG-CG 4.45Å; T607-L846 HydrophobicContact CG2-CD1 3.9Å; R842-L846 PolarHBondContact O-N 2.85Å; R842-L846 VanDerWaalsContact O-N 3.15Å; R843-L846 PolarHBondContact O-N 3.03Å
847	L	95.8	Very high	97.6	Very high	4 Å²	4	6.2 Å²	6.2	2%	0.021	3%	0.032	C	C	.	.	S	Bend	trans	-63.5	144.6	169.3	-76.4	167.5	0	0	0	111	C604 L821 I827 R843 I845 F849 R850	C604-L847 HydrophobicContact CB-CD2 4.21Å; L821-L847 HydrophobicContact CD1-CD2 4.18Å; I827-L847 HydrophobicContact CD1-CD1 4.37Å; R843-L847 HydrophobicContact CG-CD1 4.18Å; R843-L847 HydrophobicContact CG-CG 4.11Å; R843-L847 VanDerWaalsContact O-CG 3.24Å; R843-L847 WeakPolarHBondContact O-CG 3.28Å; R843-L847 PolarHBondContact O-N 3.4Å; I845-L847 VanDerWaalsContact C-N 3.27Å; I845-L847 PolarHBondContact O-N 3.42Å; L847-F849 WeakPolarHBondContact CB-O 3.18Å; L847-F849 HydrophobicContact CD1-CE2 4.18Å; L847-F849 HydrophobicContact CD2-CE1 4.29Å; L847-F849 HydrophobicContact CD2-CE2 4.32Å; L847-F849 HydrophobicContact CD2-CZ 3.87Å; L847-F849 PolarHBondContact O-N 2.82Å; L847-F849 VanDerWaalsContact O-N 3.16Å; L847-R850 PolarHBondContact O-NH1 3.33Å
848	P	93.4	Very high	97.6	Very high	18 Å²	18	6.6 Å²	6.6	12%	0.117	4%	0.035	C	C	.	.	S	Bend	trans	-78.9	9.3	178	31.1	-32.2	0	0	0	113.4	P599 S601	P599-P848 HydrophobicContact CB-CB 4.27Å; P599-P848 HydrophobicContact CB-CG 4.45Å; S601-P848 WeakPolarHBondContact O-CG 3.36Å
849	F	94.4	Very high	97.5	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.036	C	C	.	.	S	Bend	trans	-148.8	173.3	178.6	53.6	-98.3	0	0	0	108.8	P599 Q772 V818 L821 Y822 L847 K851	P599-F849 HydrophobicContact CG-CB 4.45Å; P599-F849 HydrophobicContact CG-CD1 4.28Å; Q772-F849 VanDerWaalsContact OE1-CB 3.27Å; V818-F849 HydrophobicContact CG1-CE1 3.91Å; V818-F849 HydrophobicContact CG1-CZ 4.3Å; L821-F849 HydrophobicContact CB-CE2 4.1Å; L821-F849 HydrophobicContact CB-CZ 3.78Å; L821-F849 WeakPolarHBondContact O-CE2 3.46Å; Y822-F849 HydrophobicContact CD2-CB 4.18Å; Y822-F849 AromaticContact CD2-CD1 3.6Å; Y822-F849 HydrophobicContact CD2-CD1 3.6Å; Y822-F849 HydrophobicContact CD2-CD2 4.29Å; Y822-F849 AromaticContact CD2-CE1 3.99Å; Y822-F849 HydrophobicContact CD2-CE1 3.99Å; Y822-F849 AromaticContact CD2-CG 3.77Å; Y822-F849 HydrophobicContact CD2-CG 3.77Å; Y822-F849 HydrophobicContact CD2-CZ 4.48Å; Y822-F849 HydrophobicContact CE2-CB 4.48Å; Y822-F849 HydrophobicContact CG-CD1 4.35Å; Y822-F849 HydrophobicContact CG-CE1 4.29Å; Y822-F849 VanDerWaalsContact N-CZ 3.33Å; L847-F849 WeakPolarHBondContact CB-O 3.18Å; L847-F849 HydrophobicContact CD1-CE2 4.18Å; L847-F849 HydrophobicContact CD2-CE1 4.29Å; L847-F849 HydrophobicContact CD2-CE2 4.32Å; L847-F849 HydrophobicContact CD2-CZ 3.87Å; L847-F849 PolarHBondContact O-N 2.82Å; L847-F849 VanDerWaalsContact O-N 3.16Å; F849-K851 HydrophobicContact CD2-CG 3.95Å; F849-K851 HydrophobicContact CE2-CG 3.92Å
850	R	95.4	Very high	97.4	Very high	4 Å²	4	9.3 Å²	9.3	2%	0.015	5%	0.053	C	C	.	.			trans	-120.3	133.8	177.5	-63.5	-66.7	172.9	-94.7	2	111.7	W589 P737 Q772 N773 Q844 I845 L847	W589-R850 HydrophobicContact CH2-CB 3.79Å; W589-R850 HydrophobicContact CH2-CG 3.67Å; W589-R850 HydrophobicContact CZ3-CB 3.91Å; W589-R850 HydrophobicContact CZ3-CG 3.68Å; P737-R850 HydrophobicContact CB-CG 4.47Å; P737-R850 PolarHBondContact O-NE 2.68Å; P737-R850 PolarHBondContact O-NH2 2.93Å; Q772-R850 HydrophobicContact CB-CB 4.22Å; Q772-R850 WeakPolarHBondContact CB-O 3.45Å; N773-R850 CarbonylContact O-C 3.58Å; Q844-R850 PolarHBondContact O-NH1 2.85Å; I845-R850 PolarHBondContact O-NH1 2.81Å; I845-R850 PolarHBondContact O-NH2 2.94Å; L847-R850 PolarHBondContact O-NH1 3.33Å
851	K	96.8	Very high	97.3	Very high	4 Å²	4	9.6 Å²	9.6	2%	0.017	6%	0.055	C	C	.	.			trans	-133.2	144.9	173.2	-67.4	-66.7	-178.5	167.9	0	109.6	N773 L821 Y822 C824 I827 Q844 F849	N773-K851 CarbonylContact O-C 3.49Å; N773-K851 VanDerWaalsContact O-CA 3.25Å; N773-K851 WeakPolarHBondContact O-CA 3.42Å; N773-K851 PolarHBondContact O-N 3.18Å; L821-K851 VanDerWaalsContact O-CE 3.29Å; L821-K851 WeakPolarHBondContact O-CE 3.23Å; L821-K851 WeakPolarHBondContact O-CG 3.4Å; Y822-K851 WeakPolarHBondContact O-CE 3.25Å; Y822-K851 PolarHBondContact O-NZ 3.34Å; C824-K851 WeakPolarHBondContact O-CD 3.18Å; C824-K851 WeakPolarHBondContact O-CE 3.39Å; C824-K851 PolarHBondContact O-NZ 3.32Å; I827-K851 HydrophobicContact CD1-CB 3.98Å; I827-K851 HydrophobicContact CG1-CB 4.15Å; Q844-K851 PolarHBondContact NE2-O 2.95Å; F849-K851 HydrophobicContact CD2-CG 3.95Å; F849-K851 HydrophobicContact CE2-CG 3.92Å
852	P	98.6	Very high	97.3	Very high	6 Å²	6	10 Å²	10	4%	0.039	6%	0.057	C	C	.	.			trans	-58.8	142.1	168.2	-22.6	33.7	0	0	0	110.7	I762 N773 I775 W826 I827	I762-P852 HydrophobicContact CG2-CB 3.54Å; I762-P852 HydrophobicContact CG2-CG 3.73Å; N773-P852 WeakPolarHBondContact O-CD 3.46Å; N773-P852 VanDerWaalsContact O-N 3.08Å; I775-P852 HydrophobicContact CG2-CB 4.12Å; I775-P852 HydrophobicContact CG2-CG 4.49Å; I775-P852 VanDerWaalsContact O-CA 3.32Å; I775-P852 WeakPolarHBondContact O-CA 3.21Å; W826-P852 HydrophobicContact CB-CB 4.02Å; W826-P852 HydrophobicContact CB-CG 4.42Å; I827-P852 PolarHBondContact N-O 3.13Å
853	L	98.9	Very high	97.2	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	119.9	176.7	174.1	66.3	0	0	0	110	I775 V776 L777 I827 V829 V840 Q844 V855	I775-L853 PolarHBondContact O-N 2.57Å; V776-L853 CarbonylContact C-O 3.53Å; V776-L853 WeakPolarHBondContact CA-O 3.04Å; V776-L853 HydrophobicContact CG1-CB 4.37Å; V776-L853 HydrophobicContact CG1-CD2 4.05Å; V776-L853 HydrophobicContact CG1-CG 4.28Å; V776-L853 HydrophobicContact CG2-CB 4.27Å; V776-L853 HydrophobicContact CG2-CD2 4.35Å; L777-L853 PolarHBondContact N-O 2.99Å; I827-L853 HydrophobicContact CB-CD1 3.75Å; I827-L853 HydrophobicContact CG2-CD1 3.57Å; V829-L853 HydrophobicContact CG1-CD1 4.13Å; V829-L853 HydrophobicContact CG2-CD1 3.97Å; V840-L853 HydrophobicContact CG1-CD2 4.3Å; V840-L853 HydrophobicContact CG2-CD1 4.09Å; V840-L853 HydrophobicContact CG2-CD2 3.94Å; Q844-L853 VanDerWaalsContact CD-CB 3.44Å; Q844-L853 HydrophobicContact CG-CB 4.12Å; Q844-L853 HydrophobicContact CG-CD2 3.52Å; Q844-L853 HydrophobicContact CG-CG 4.43Å; L853-V855 HydrophobicContact CD1-CG2 4.3Å; L853-V855 HydrophobicContact CD2-CG2 3.79Å; L853-V855 HydrophobicContact CG-CG2 3.67Å
854	I	98.9	Very high	97.1	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	115.4	174.4	-45.7	-56.2	0	0	0	108	L777 L779 F798 I827 V828 V829 F856	L777-I854 HydrophobicContact CB-CD1 3.98Å; L777-I854 HydrophobicContact CD1-CD1 4.31Å; L777-I854 HydrophobicContact CD2-CD1 3.8Å; L777-I854 HydrophobicContact CG-CD1 4.24Å; L779-I854 HydrophobicContact CD1-CG2 3.84Å; F798-I854 HydrophobicContact CD1-CD1 4.05Å; F798-I854 HydrophobicContact CD1-CG1 3.87Å; F798-I854 HydrophobicContact CD1-CG2 3.97Å; F798-I854 HydrophobicContact CD2-CG2 4.23Å; F798-I854 HydrophobicContact CE1-CD1 3.91Å; F798-I854 HydrophobicContact CE1-CG1 4.21Å; F798-I854 HydrophobicContact CE1-CG2 4.1Å; F798-I854 HydrophobicContact CE2-CG2 4.35Å; F798-I854 HydrophobicContact CG-CG2 4.03Å; F798-I854 HydrophobicContact CZ-CG2 4.29Å; I827-I854 PolarHBondContact O-N 3.17Å; V828-I854 HydrophobicContact CG2-CB 4.28Å; V828-I854 HydrophobicContact CG2-CG1 4.31Å; V829-I854 PolarHBondContact N-O 2.94Å; I854-F856 HydrophobicContact CG2-CE1 4.08Å; I854-F856 HydrophobicContact CG2-CZ 3.96Å
855	V	98.9	Very high	96.9	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.006	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	116.5	179.2	-169.8	0	0	0	0	109.2	V776 L777 L778 L779 V829 Y837 L853 T857	V776-V855 HydrophobicContact CG1-CG2 3.97Å; L777-V855 PolarHBondContact O-N 3.26Å; L778-V855 HydrophobicContact CD2-CB 4Å; L778-V855 HydrophobicContact CD2-CG2 4.08Å; L779-V855 PolarHBondContact N-O 2.95Å; V829-V855 HydrophobicContact CG2-CB 4.16Å; V829-V855 HydrophobicContact CG2-CG1 4Å; V829-V855 HydrophobicContact CG2-CG2 3.88Å; Y837-V855 HydrophobicContact CD2-CG1 4.21Å; Y837-V855 HydrophobicContact CE2-CG1 3.99Å; L853-V855 HydrophobicContact CD1-CG2 4.3Å; L853-V855 HydrophobicContact CD2-CG2 3.79Å; L853-V855 HydrophobicContact CG-CG2 3.67Å; V855-T857 HydrophobicContact CB-CG2 4.15Å; V855-T857 HydrophobicContact CG1-CG2 3.7Å; V855-T857 PolarHBondContact O-N 3.22Å; V855-T857 VanDerWaalsContact O-N 3.08Å
856	F	98.9	Very high	96.8	Very high	1 Å²	1	28.5 Å²	28.5	0%	0.004	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	92.5	167	-56.8	-59.3	0	0	0	108.6	L779 H781 A793 P795 F798 V828 V829 N830 I854 Y964	L779-F856 HydrophobicContact CB-CD1 4.28Å; L779-F856 HydrophobicContact CD1-CD1 4.45Å; L779-F856 HydrophobicContact CD1-CE1 4.11Å; L779-F856 CarbonylContact O-C 3.43Å; L779-F856 WeakPolarHBondContact O-CA 3.46Å; H781-F856 HydrophobicContact CB-CB 3.92Å; H781-F856 HydrophobicContact CB-CD1 4.48Å; A793-F856 HydrophobicContact CB-CD1 3.48Å; A793-F856 VanDerWaalsContact CB-CD1 3.48Å; A793-F856 HydrophobicContact CB-CE1 3.72Å; P795-F856 HydrophobicContact CB-CD2 4.19Å; P795-F856 HydrophobicContact CB-CE1 3.89Å; P795-F856 HydrophobicContact CB-CE2 3.5Å; P795-F856 HydrophobicContact CB-CZ 3.36Å; F798-F856 HydrophobicContact CD2-CE1 4.11Å; F798-F856 HydrophobicContact CD2-CZ 4.04Å; F798-F856 HydrophobicContact CE2-CE1 4.42Å; V828-F856 HydrophobicContact CG1-CD2 4.37Å; V828-F856 HydrophobicContact CG1-CE2 3.43Å; V828-F856 VanDerWaalsContact CG1-CE2 3.43Å; V828-F856 HydrophobicContact CG1-CZ 4.02Å; V829-F856 WeakPolarHBondContact O-CD2 3.46Å; V829-F856 PolarHBondContact O-N 3.4Å; N830-F856 HydrophobicContact CB-CB 4.14Å; N830-F856 HydrophobicContact CB-CD2 4.06Å; N830-F856 PolarHBondContact OD1-O 2.81Å; I854-F856 HydrophobicContact CG2-CE1 4.08Å; I854-F856 HydrophobicContact CG2-CZ 3.96Å; F856-Y964 HydrophobicContact CD2-CE1 4.38Å; F856-Y964 HydrophobicContact CE2-CE1 4.29Å
857	T	98.6	Very high	96.9	Very high	7 Å²	7	26.5 Å²	26.5	4%	0.043	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	153.6	-175.1	52.9	0	0	0	0	111	L778 L779 P780 H781 Y837 V855	L778-T857 HydrophobicContact CB-CG2 3.91Å; L778-T857 HydrophobicContact CD2-CG2 3.85Å; L778-T857 HydrophobicContact CG-CG2 4.4Å; L779-T857 VanDerWaalsContact C-OG1 3.27Å; L779-T857 PolarHBondContact O-N 3.06Å; P780-T857 CarbonylContact C-O 3.5Å; P780-T857 VanDerWaalsContact CA-O 3.29Å; P780-T857 WeakPolarHBondContact CA-O 3.4Å; P780-T857 WeakPolarHBondContact CA-OG1 3.26Å; P780-T857 WeakPolarHBondContact CD-OG1 3.45Å; P780-T857 VanDerWaalsContact N-OG1 3.13Å; H781-T857 PolarHBondContact N-O 3.17Å; Y837-T857 HydrophobicContact CE2-CG2 4.41Å; V855-T857 HydrophobicContact CB-CG2 4.15Å; V855-T857 HydrophobicContact CG1-CG2 3.7Å; V855-T857 PolarHBondContact O-N 3.22Å; V855-T857 VanDerWaalsContact O-N 3.08Å
858	P	97.8	Very high	96.9	Very high	10 Å²	10	33 Å²	33	7%	0.065	16%	0.162	C	C	.	.			trans	-83.9	166.6	-175.1	33	-36.4	0	0	0	113.4	W653 L861 L862	W653-P858 HydrophobicContact CD2-CG 3.47Å; W653-P858 VanDerWaalsContact CD2-CG 3.47Å; W653-P858 VanDerWaalsContact CE2-CD 3.4Å; W653-P858 HydrophobicContact CE3-CG 3.85Å; W653-P858 HydrophobicContact CG-CG 3.93Å; W653-P858 HydrophobicContact CH2-CG 4.03Å; W653-P858 HydrophobicContact CZ2-CG 3.67Å; W653-P858 HydrophobicContact CZ3-CG 4.11Å; P858-L861 HydrophobicContact CB-CB 3.6Å; P858-L861 HydrophobicContact CB-CD1 4.17Å; P858-L861 HydrophobicContact CB-CG 4.05Å; P858-L861 HydrophobicContact CG-CB 4.2Å; P858-L862 HydrophobicContact CG-CD2 3.94Å; P858-L862 HydrophobicContact CG-CG 4.32Å
859	K	97.9	Very high	97.2	Very high	8 Å²	8	33 Å²	33	4%	0.035	16%	0.163	C	C	.	.	S	Bend	trans	-114.6	-70.5	169.2	-58.5	178.3	-66.1	-156.4	0	111.2	F683 F747 P780 G782 H790 L861 L862	F683-K859 HydrophobicContact CE1-CB 4.18Å; F683-K859 HydrophobicContact CE1-CD 4.12Å; F683-K859 HydrophobicContact CE1-CG 3.93Å; F683-K859 HydrophobicContact CE2-CG 4.05Å; F683-K859 HydrophobicContact CZ-CB 4.21Å; F683-K859 HydrophobicContact CZ-CD 3.86Å; F683-K859 HydrophobicContact CZ-CG 3.53Å; F747-K859 HydrophobicContact CD1-CD 3.94Å; F747-K859 HydrophobicContact CE1-CD 3.7Å; P780-K859 HydrophobicContact CB-CD 4.37Å; P780-K859 HydrophobicContact CB-CG 4.01Å; G782-K859 WeakPolarHBondContact O-CE 3.39Å; G782-K859 PolarHBondContact O-NZ 3.45Å; H790-K859 PolarHBondContact O-NZ 3.11Å; K859-L861 PolarHBondContact O-N 3.23Å; K859-L862 WeakPolarHBondContact O-CB 3.48Å; K859-L862 WeakPolarHBondContact O-CD1 3.42Å; K859-L862 WeakPolarHBondContact O-CG 3.48Å; K859-L862 PolarHBondContact O-N 2.87Å
860	S	96.4	Very high	97.3	Very high	53 Å²	53	35.2 Å²	35.2	37%	0.371	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-66.5	-33.1	176.8	53.1	0	0	0	0	114	E784 L862 R863 H864	E784-S860 WeakPolarHBondContact OE1-CB 3.48Å; E784-S860 PolarHBondContact OE1-N 3.2Å; E784-S860 PolarHBondContact OE1-OG 2.89Å; S860-L862 PolarHBondContact O-N 3.48Å; S860-L862 VanDerWaalsContact O-N 3.14Å; S860-R863 PolarHBondContact O-N 3.11Å; S860-R863 VanDerWaalsContact O-N 3.15Å; S860-H864 PolarHBondContact O-N 3.23Å
861	L	97.3	Very high	97.5	Very high	6 Å²	6	35 Å²	35	3%	0.031	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-65.6	-16.1	179	-53.4	-176.6	0	0	0	113.6	W653 P858 K859 R863 H864 A867 K906 Y909	W653-L861 HydrophobicContact CE3-CB 4.43Å; W653-L861 HydrophobicContact CZ3-CB 4.37Å; W653-L861 HydrophobicContact CZ3-CD1 4.28Å; P858-L861 HydrophobicContact CB-CB 3.6Å; P858-L861 HydrophobicContact CB-CD1 4.17Å; P858-L861 HydrophobicContact CB-CG 4.05Å; P858-L861 HydrophobicContact CG-CB 4.2Å; K859-L861 PolarHBondContact O-N 3.23Å; L861-R863 PolarHBondContact O-N 3.02Å; L861-H864 HydrophobicContact CD2-CB 3.99Å; L861-H864 PolarHBondContact O-N 2.77Å; L861-A867 HydrophobicContact CB-CB 4.06Å; L861-A867 HydrophobicContact CD2-CB 4.37Å; L861-K906 HydrophobicContact CD1-CB 3.7Å; L861-K906 HydrophobicContact CD2-CB 4.02Å; L861-K906 HydrophobicContact CG-CB 3.84Å; L861-Y909 HydrophobicContact CD1-CD2 4.12Å; L861-Y909 HydrophobicContact CD1-CE2 3.76Å; L861-Y909 HydrophobicContact CD2-CD2 3.46Å; L861-Y909 VanDerWaalsContact CD2-CD2 3.46Å; L861-Y909 HydrophobicContact CD2-CE2 3.67Å; L861-Y909 HydrophobicContact CD2-CG 4.16Å; L861-Y909 HydrophobicContact CG-CD2 4.45Å; L861-Y909 HydrophobicContact CG-CE2 4.35Å
862	L	97.9	Very high	97.6	Very high	8 Å²	8	39 Å²	39	4%	0.042	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-55.8	-23.2	173.1	-62	173.5	0	0	0	112.4	W653 F683 H685 P858 K859 S860	W653-L862 HydrophobicContact CB-CD2 3.78Å; W653-L862 HydrophobicContact CG-CD2 3.92Å; F683-L862 HydrophobicContact CB-CD1 3.67Å; F683-L862 HydrophobicContact CD2-CD1 3.59Å; F683-L862 HydrophobicContact CG-CD1 3.78Å; H685-L862 HydrophobicContact CB-CD1 4.22Å; P858-L862 HydrophobicContact CG-CD2 3.94Å; P858-L862 HydrophobicContact CG-CG 4.32Å; K859-L862 WeakPolarHBondContact O-CB 3.48Å; K859-L862 WeakPolarHBondContact O-CD1 3.42Å; K859-L862 WeakPolarHBondContact O-CG 3.48Å; K859-L862 PolarHBondContact O-N 2.87Å; S860-L862 PolarHBondContact O-N 3.48Å; S860-L862 VanDerWaalsContact O-N 3.14Å
863	R	95.8	Very high	97.5	Very high	160 Å²	160	40.4 Å²	40.4	60%	0.604	22%	0.215	S	C	*	.	G	3₁₀ helix	trans	-131.5	6.3	-178.9	-60.1	-176.8	179.5	93.1	0.5	113.7	F683 S684 S860 L861	F683-R863 PolarHBondContact O-NH1 3.37Å; F683-R863 PolarHBondContact O-NH2 3.14Å; S684-R863 PolarHBondContact O-NH2 2.86Å; S860-R863 PolarHBondContact O-N 3.11Å; S860-R863 VanDerWaalsContact O-N 3.15Å; L861-R863 PolarHBondContact O-N 3.02Å
864	H	96.4	Very high	97.5	Very high	58 Å²	58	40.4 Å²	40.4	27%	0.269	22%	0.215	S	C	.	.			trans	-69.5	128.5	-176.4	-169.5	-77.1	0	0	0	109.8	S860 L861 D866 A867 Y909	S860-H864 PolarHBondContact O-N 3.23Å; L861-H864 HydrophobicContact CD2-CB 3.99Å; L861-H864 PolarHBondContact O-N 2.77Å; H864-D866 VanDerWaalsContact C-N 3.27Å; H864-D866 IonicContact CE1-OD2 3.38Å; H864-D866 PolarHBondContact CE1-OD2 3.36Å; H864-D866 PolarHBondContact ND1-N 3.24Å; H864-D866 PolarHBondContact O-N 3.06Å; H864-A867 HydrophobicContact CB-CB 3.82Å; H864-A867 PolarHBondContact O-N 3.08Å; H864-Y909 AromaticContact CE1-CD1 3.83Å; H864-Y909 AromaticContact ND1-CD1 3.92Å
865	P	94.4	Very high	97.5	Very high	91 Å²	91	42.2 Å²	42.2	59%	0.591	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57	-37.8	-174.6	-27.9	35.3	0	0	0	114.2	A867 R868	P865-A867 VanDerWaalsContact C-N 3.33Å; P865-R868 WeakPolarHBondContact O-CD 3.43Å
866	D	94.8	Very high	97.4	Very high	117 Å²	117	46.6 Å²	46.6	63%	0.626	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-6.6	179.1	-53.4	-34.2	0	0	0	113.1	H864 R868 Y909	H864-D866 VanDerWaalsContact C-N 3.27Å; H864-D866 IonicContact CE1-OD2 3.38Å; H864-D866 PolarHBondContact CE1-OD2 3.36Å; H864-D866 PolarHBondContact ND1-N 3.24Å; H864-D866 PolarHBondContact O-N 3.06Å; D866-R868 PolarHBondContact O-N 3.17Å; D866-Y909 HydrophobicContact CB-CD1 4.02Å; D866-Y909 HydrophobicContact CB-CE1 3.77Å; D866-Y909 WeakPolarHBondContact O-CE1 3.41Å; D866-Y909 PolarHBondContact O-OH 3.27Å
867	A	96.6	Very high	97.4	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.008	28%	0.28	C	S	.	.			trans	-90.9	61	175.4	0	0	0	0	0	110.5	P834 L861 H864 P865 Y909	P834-A867 VanDerWaalsContact CG-O 3.32Å; P834-A867 WeakPolarHBondContact CG-O 3.29Å; L861-A867 HydrophobicContact CB-CB 4.06Å; L861-A867 HydrophobicContact CD2-CB 4.37Å; H864-A867 HydrophobicContact CB-CB 3.82Å; H864-A867 PolarHBondContact O-N 3.08Å; P865-A867 VanDerWaalsContact C-N 3.33Å; A867-Y909 WeakPolarHBondContact CA-OH 3.23Å; A867-Y909 HydrophobicContact CB-CE1 4.37Å; A867-Y909 HydrophobicContact CB-CE2 4.41Å
868	R	97.3	Very high	97.4	Very high	139 Å²	139	50.4 Å²	50.4	53%	0.525	29%	0.287	S	S	.	.			trans	-128.2	155.6	176.9	-66.6	-179.2	179.7	-172	-0.8	110.3	V651 P865 D866	V651-R868 VanDerWaalsContact O-CA 3.24Å; V651-R868 WeakPolarHBondContact O-CA 3.45Å; P865-R868 WeakPolarHBondContact O-CD 3.43Å; D866-R868 PolarHBondContact O-N 3.17Å
869	S	98.2	Very high	97.4	Very high	18 Å²	18	54.2 Å²	54.2	13%	0.126	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	147.1	175.2	-60.7	0	0	0	0	111.2	T650 V651 P834 G835	T650-S869 CarbonylContact C-O 3.55Å; T650-S869 VanDerWaalsContact CA-O 3.28Å; T650-S869 WeakPolarHBondContact CA-O 3.13Å; V651-S869 PolarHBondContact N-O 3.39Å; V651-S869 PolarHBondContact O-N 3.02Å; P834-S869 WeakPolarHBondContact CD-OG 3.31Å; G835-S869 PolarHBondContact N-OG 3.26Å
870	S	98.3	Very high	97.4	Very high	47 Å²	47	54.7 Å²	54.7	33%	0.329	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	149.6	168.5	178.3	0	0	0	0	109.8	R649 D872 G873	R649-S870 WeakPolarHBondContact O-CA 3.36Å; S870-D872 PolarHBondContact O-N 3.23Å; S870-D872 VanDerWaalsContact OG-CG 3.3Å; S870-D872 PolarHBondContact OG-N 2.87Å; S870-D872 PolarHBondContact OG-OD2 2.66Å; S870-G873 PolarHBondContact O-N 2.87Å
871	F	98.4	Very high	97.5	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-55.9	-30	168.6	-80	22.7	0	0	0	112.1	L614 V646 R649 V651 M659 G873 M874 L875	L614-F871 HydrophobicContact CB-CD2 3.88Å; L614-F871 HydrophobicContact CB-CE2 3.63Å; L614-F871 HydrophobicContact CB-CZ 4.18Å; L614-F871 HydrophobicContact CD1-CB 4.01Å; L614-F871 HydrophobicContact CD1-CD2 3.77Å; L614-F871 HydrophobicContact CD1-CE2 4.37Å; L614-F871 HydrophobicContact CD1-CG 3.87Å; L614-F871 HydrophobicContact CG-CD2 4.44Å; V646-F871 HydrophobicContact CG1-CZ 4.38Å; R649-F871 VanDerWaalsContact C-CD1 3.4Å; R649-F871 HydrophobicContact CB-CB 4.25Å; R649-F871 HydrophobicContact CB-CD2 4.34Å; R649-F871 HydrophobicContact CB-CG 4.13Å; R649-F871 WeakPolarHBondContact O-CD1 3.18Å; R649-F871 PolarHBondContact O-N 3.31Å; V651-F871 HydrophobicContact CG1-CD1 3.96Å; V651-F871 HydrophobicContact CG1-CE1 3.5Å; M659-F871 HydrophobicContact CE-CE1 3.85Å; M659-F871 HydrophobicContact CE-CZ 3.6Å; M659-F871 HydrophobicContact SD-CE1 4.4Å; F871-G873 PolarHBondContact O-N 2.87Å; F871-G873 VanDerWaalsContact O-N 3.16Å; F871-M874 CarbonylContact O-C 3.26Å; F871-M874 WeakPolarHBondContact O-CA 3.41Å; F871-M874 WeakPolarHBondContact O-CB 3.41Å; F871-M874 PolarHBondContact O-N 2.71Å; F871-L875 WeakPolarHBondContact O-CG 3.26Å; F871-L875 PolarHBondContact O-N 2.85Å
872	D	98.3	Very high	97.5	Very high	87 Å²	87	57.5 Å²	57.5	47%	0.465	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-58.4	-31.9	-179	-52.9	-39.7	0	0	0	112.1	R649 S870 M874 T878	R649-D872 IonicContact CZ-OD1 3.5Å; R649-D872 IonicContact NH2-OD1 3.47Å; R649-D872 PolarHBondContact NH2-OD1 3.22Å; S870-D872 PolarHBondContact O-N 3.23Å; S870-D872 VanDerWaalsContact OG-CG 3.3Å; S870-D872 PolarHBondContact OG-N 2.87Å; S870-D872 PolarHBondContact OG-OD2 2.66Å; D872-M874 PolarHBondContact O-N 2.87Å; D872-T878 WeakPolarHBondContact O-CG2 3.21Å
873	G	97.5	Very high	97.5	Very high	37 Å²	37	57.6 Å²	57.6	38%	0.381	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-77.5	6.9	174.7	0	0	0	0	0	114.4	H839 S870 F871	H839-G873 PolarHBondContact NE2-O 3.29Å; S870-G873 PolarHBondContact O-N 2.87Å; F871-G873 PolarHBondContact O-N 2.87Å; F871-G873 VanDerWaalsContact O-N 3.16Å
874	M	98.6	Very high	97.7	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-132.9	3.8	-178.6	-63.1	164.3	64.5	0	0	112.8	G608 I609 L614 V651 M659 F838 F871 D872 T878	G608-M874 CarbonylContact C-O 3.57Å; G608-M874 WeakPolarHBondContact CA-O 3.36Å; I609-M874 PolarHBondContact N-O 3.38Å; L614-M874 HydrophobicContact CD1-CB 4.24Å; L614-M874 HydrophobicContact CD2-CB 4.47Å; L614-M874 HydrophobicContact CD2-CE 3.54Å; V651-M874 HydrophobicContact CG1-SD 4.39Å; V651-M874 HydrophobicContact CG2-SD 3.81Å; M659-M874 HydrophobicContact CB-CE 4.19Å; M659-M874 HydrophobicContact SD-CE 3.91Å; F838-M874 HydrophobicContact CB-CE 3.95Å; F838-M874 HydrophobicContact CD1-CB 4.15Å; F838-M874 HydrophobicContact CD1-CE 3.83Å; F838-M874 HydrophobicContact CD1-CG 3.82Å; F838-M874 HydrophobicContact CD2-CE 3.32Å; F838-M874 HydrophobicContact CE1-CB 4Å; F838-M874 HydrophobicContact CE1-CE 4.13Å; F838-M874 HydrophobicContact CE1-CG 4.2Å; F838-M874 HydrophobicContact CE2-CE 3.65Å; F838-M874 HydrophobicContact CG-CE 3.43Å; F838-M874 VanDerWaalsContact CG-CE 3.43Å; F838-M874 HydrophobicContact CG-CG 4.26Å; F838-M874 HydrophobicContact CG-SD 4.42Å; F838-M874 HydrophobicContact CZ-CE 4.05Å; F871-M874 CarbonylContact O-C 3.26Å; F871-M874 WeakPolarHBondContact O-CA 3.41Å; F871-M874 WeakPolarHBondContact O-CB 3.41Å; F871-M874 PolarHBondContact O-N 2.71Å; D872-M874 PolarHBondContact O-N 2.87Å; M874-T878 VanDerWaalsContact C-OG1 3.3Å; M874-T878 WeakPolarHBondContact CA-OG1 3.44Å
875	L	98.6	Very high	97.7	Very high	38 Å²	38	50 Å²	50	20%	0.199	29%	0.289	C	S	.	.	S	Bend	trans	-77.9	165.5	179.7	-67.6	-176	0	0	0	112.8	G608 I609 E611 L614 F871 G877 T878	G608-L875 WeakPolarHBondContact CA-O 3.33Å; I609-L875 WeakPolarHBondContact O-CA 3.09Å; E611-L875 HydrophobicContact CB-CD2 3.77Å; L614-L875 HydrophobicContact CD1-CD2 4.02Å; F871-L875 WeakPolarHBondContact O-CG 3.26Å; F871-L875 PolarHBondContact O-N 2.85Å; L875-G877 PolarHBondContact O-N 3.17Å; L875-T878 PolarHBondContact N-OG1 2.87Å; L875-T878 WeakPolarHBondContact O-CB 3.44Å; L875-T878 VanDerWaalsContact O-CG2 3.32Å; L875-T878 WeakPolarHBondContact O-CG2 3.28Å; L875-T878 PolarHBondContact O-N 3.31Å; L875-T878 VanDerWaalsContact O-N 3.09Å; L875-T878 PolarHBondContact O-OG1 3.2Å
876	P	98.3	Very high	97.7	Very high	92 Å²	92	46 Å²	46	60%	0.597	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	137.6	-179.7	-24	36.9	0	0	0	112.3	I609	I609-P876 VanDerWaalsContact O-CD 3.28Å; I609-P876 WeakPolarHBondContact O-CD 3.37Å
877	G	97.4	Very high	97.6	Very high	55 Å²	55	46.7 Å²	46.7	57%	0.567	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	93	-6.1	-172.4	0	0	0	0	0	114.2	S606 L875 H879	S606-G877 PolarHBondContact OG-N 2.97Å; L875-G877 PolarHBondContact O-N 3.17Å; G877-H879 PolarHBondContact O-CD2 3.18Å; G877-H879 VanDerWaalsContact O-CD2 3.26Å
878	T	98.4	Very high	97.4	Very high	33 Å²	33	47.3 Å²	47.3	20%	0.202	27%	0.273	C	S	.	.			trans	-90.8	151.4	173.7	61.4	0	0	0	0	112.4	S606 T607 G608 H839 D872 M874 L875	S606-T878 PolarHBondContact OG-O 3.31Å; T607-T878 PolarHBondContact N-O 3.12Å; T607-T878 PolarHBondContact OG1-O 2.96Å; G608-T878 PolarHBondContact N-O 3.34Å; H839-T878 PolarHBondContact CE1-OG1 2.87Å; H839-T878 PolarHBondContact NE2-OG1 3.45Å; D872-T878 WeakPolarHBondContact O-CG2 3.21Å; M874-T878 VanDerWaalsContact C-OG1 3.3Å; M874-T878 WeakPolarHBondContact CA-OG1 3.44Å; L875-T878 PolarHBondContact N-OG1 2.87Å; L875-T878 WeakPolarHBondContact O-CB 3.44Å; L875-T878 VanDerWaalsContact O-CG2 3.32Å; L875-T878 WeakPolarHBondContact O-CG2 3.28Å; L875-T878 PolarHBondContact O-N 3.31Å; L875-T878 VanDerWaalsContact O-N 3.09Å; L875-T878 PolarHBondContact O-OG1 3.2Å
879	H	98	Very high	97.2	Very high	90 Å²	90	43 Å²	43	42%	0.417	26%	0.263	S	S	.	.			trans	-140.9	160.5	-172.6	-64.1	-94.9	0	0	0	111.5	S606 T607 H839 G877 Q881	S606-H879 WeakPolarHBondContact CA-CE1 3.44Å; S606-H879 PolarHBondContact N-CE1 3.39Å; T607-H879 WeakPolarHBondContact OG1-CA 3.38Å; H839-H879 VanDerWaalsContact CD2-C 3.45Å; H839-H879 PolarHBondContact CD2-O 2.88Å; H839-H879 VanDerWaalsContact CD2-O 3.3Å; G877-H879 PolarHBondContact O-CD2 3.18Å; G877-H879 VanDerWaalsContact O-CD2 3.26Å; H879-Q881 PolarHBondContact O-N 3.38Å
880	F	98.4	Very high	96.9	Very high	18 Å²	18	42.1 Å²	42.1	8%	0.079	26%	0.257	C	S	.	.			trans	-56.7	127.3	166.6	177.6	-95.8	0	0	0	110.8	V829 N836 H839 V840 R882 E930 Q931	V829-F880 HydrophobicContact CG1-CZ 3.97Å; N836-F880 HydrophobicContact CB-CD2 4.48Å; N836-F880 HydrophobicContact CB-CE2 4.45Å; N836-F880 VanDerWaalsContact CG-CD2 3.45Å; N836-F880 VanDerWaalsContact CG-CE2 3.42Å; N836-F880 WeakPolarHBondContact ND2-CE2 3.34Å; N836-F880 WeakPolarHBondContact O-CD2 3.46Å; N836-F880 WeakPolarHBondContact OD1-CA 3.22Å; N836-F880 WeakPolarHBondContact OD1-CD2 3.24Å; N836-F880 WeakPolarHBondContact OD1-CE2 3.2Å; H839-F880 HydrophobicContact CB-CB 3.78Å; H839-F880 HydrophobicContact CB-CD2 4.49Å; V840-F880 HydrophobicContact CB-CD2 3.58Å; V840-F880 HydrophobicContact CB-CE2 3.7Å; V840-F880 HydrophobicContact CB-CG 4.42Å; V840-F880 HydrophobicContact CG2-CD2 3.95Å; V840-F880 HydrophobicContact CG2-CE2 3.85Å; V840-F880 HydrophobicContact CG2-CZ 4.32Å; F880-R882 HydrophobicContact CD1-CG 4.08Å; F880-R882 HydrophobicContact CE1-CB 4.4Å; F880-R882 HydrophobicContact CE1-CG 3.97Å; F880-E930 HydrophobicContact CZ-CB 4.04Å; F880-Q931 HydrophobicContact CE1-CB 3.78Å; F880-Q931 HydrophobicContact CZ-CB 4.11Å
881	Q	98.2	Very high	96.6	Very high	99 Å²	99	40.6 Å²	40.6	46%	0.463	25%	0.247	S	C	.	.			trans	-92	112.6	176.9	-60.9	-175	49.5	0	0	109.2	N836 H879 I884 E930	N836-Q881 PolarHBondContact ND2-O 3.26Å; N836-Q881 PolarHBondContact OD1-N 3.25Å; H879-Q881 PolarHBondContact O-N 3.38Å; Q881-I884 HydrophobicContact CB-CG1 3.87Å; Q881-E930 WeakPolarHBondContact O-CB 3.44Å
882	R	98.2	Very high	96.4	Very high	19 Å²	19	48.2 Å²	48.2	7%	0.072	28%	0.283	C	S	.	.	S	Bend	trans	-69.2	-36.9	179.3	-65.9	-178.5	-70.9	131.9	5	112.2	F880 E930 Q931 P936 D938	F880-R882 HydrophobicContact CD1-CG 4.08Å; F880-R882 HydrophobicContact CE1-CB 4.4Å; F880-R882 HydrophobicContact CE1-CG 3.97Å; R882-E930 PolarHBondContact O-N 2.99Å; R882-Q931 HydrophobicContact CB-CB 4.14Å; R882-Q931 HydrophobicContact CG-CB 4.2Å; R882-Q931 PolarHBondContact O-N 3.04Å; R882-P936 HydrophobicContact CB-CB 4.12Å; R882-D938 IonicContact CZ-OD1 3.61Å; R882-D938 IonicContact CZ-OD2 3.3Å; R882-D938 IonicContact NH1-OD1 3.58Å; R882-D938 PolarHBondContact NH1-OD1 2.69Å; R882-D938 IonicContact NH1-OD2 2.73Å; R882-D938 VanDerWaalsContact NH2-CG 3.32Å; R882-D938 IonicContact NH2-OD1 2.66Å; R882-D938 PolarHBondContact NH2-OD1 3Å; R882-D938 VanDerWaalsContact NH2-OD1 3.15Å; R882-D938 IonicContact NH2-OD2 3.21Å; R882-D938 PolarHBondContact NH2-OD2 3.34Å
883	L	98.4	Very high	96.1	Very high	10 Å²	10	49.8 Å²	49.8	5%	0.052	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	134.7	171	-177.2	150.1	0	0	0	108.1	P885 F902 R928 Q939 V940 E943	L883-P885 HydrophobicContact CD2-CB 4.31Å; L883-F902 HydrophobicContact CD1-CE1 4.12Å; L883-R928 CarbonylContact C-O 3.59Å; L883-R928 VanDerWaalsContact CA-O 3.27Å; L883-R928 WeakPolarHBondContact CA-O 3.44Å; L883-Q939 HydrophobicContact CB-CB 3.92Å; L883-Q939 VanDerWaalsContact CB-OE1 3.29Å; L883-Q939 HydrophobicContact CD1-CB 4.33Å; L883-V940 HydrophobicContact CD1-CG2 3.77Å; L883-E943 HydrophobicContact CD2-CB 4.39Å; L883-E943 HydrophobicContact CD2-CG 4.46Å
884	I	98.2	Very high	95.9	Very high	13 Å²	13	49.6 Å²	49.6	7%	0.067	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	110	173.5	-51.5	170.7	0	0	0	107.6	Q881 R928 E930	Q881-I884 HydrophobicContact CB-CG1 3.87Å; I884-R928 HydrophobicContact CB-CB 4.29Å; I884-R928 PolarHBondContact N-O 2.96Å; I884-R928 PolarHBondContact O-N 3.45Å; I884-E930 HydrophobicContact CD1-CG 3.67Å; I884-E930 HydrophobicContact CG1-CG 3.82Å
885	P	97.2	Very high	95.7	Very high	47 Å²	47	55.1 Å²	55.1	31%	0.305	30%	0.304	S	S	.	.			trans	-71.5	168.3	-178	31.4	-36.2	0	0	0	111.7	L883 E943	L883-P885 HydrophobicContact CD2-CB 4.31Å; P885-E943 VanDerWaalsContact CA-OE1 3.3Å; P885-E943 WeakPolarHBondContact CA-OE1 3.21Å; P885-E943 VanDerWaalsContact CB-CD 3.5Å; P885-E943 WeakPolarHBondContact CB-OE1 3.37Å; P885-E943 WeakPolarHBondContact CB-OE2 3.45Å
886	D	95.1	Very high	95.5	Very high	6 Å²	6	55.3 Å²	55.3	3%	0.032	31%	0.311	C	S	.	.			trans	-68.3	132.7	167.8	-161.7	-70.3	0	0	0	109.5	G888 A891 R915 A925 I926 E943 R946	D886-G888 WeakPolarHBondContact OD1-CA 3.47Å; D886-G888 PolarHBondContact OD1-N 3.49Å; D886-A891 WeakPolarHBondContact O-CB 3.38Å; D886-R915 IonicContact OD2-CZ 3.78Å; D886-R915 IonicContact OD2-NH1 3.05Å; D886-R915 PolarHBondContact OD2-NH1 3.1Å; D886-R915 IonicContact OD2-NH2 3.49Å; D886-A925 HydrophobicContact CB-CB 4.02Å; D886-I926 PolarHBondContact OD2-N 3.12Å; D886-E943 PolarHBondContact N-OE1 3.22Å; D886-R946 PolarHBondContact O-NH1 2.92Å; D886-R946 PolarHBondContact O-NH2 2.9Å
887	D	91.9	Very high	95.4	Very high	131 Å²	131	51 Å²	51	70%	0.701	28%	0.283	S	S	*	.			trans	-121.7	9.7	178.7	63.3	-7.9	0	0	0	112.8
888	G	91.8	Very high	95.4	Very high	15 Å²	15	54 Å²	54	16%	0.155	28%	0.28	C	S	.	.	S	Bend	trans	-90	-156.9	-177.8	0	0	0	0	0	114.7	D886 A890 A891	D886-G888 WeakPolarHBondContact OD1-CA 3.47Å; D886-G888 PolarHBondContact OD1-N 3.49Å; G888-A890 VanDerWaalsContact C-N 3.3Å; G888-A890 PolarHBondContact O-N 3Å; G888-A891 VanDerWaalsContact O-CB 3.31Å; G888-A891 WeakPolarHBondContact O-CB 3.16Å; G888-A891 PolarHBondContact O-N 3.5Å; G888-A891 VanDerWaalsContact O-N 3.12Å
889	P	93.4	Very high	95.3	Very high	47 Å²	47	52.4 Å²	52.4	31%	0.305	27%	0.271	S	S	.	.	H	α-helix	trans	-58.5	-36	-179.7	-26.5	35.9	0	0	0	114.3	A891 Q892 E921 E922	P889-A891 VanDerWaalsContact C-N 3.26Å; P889-A891 PolarHBondContact O-N 2.84Å; P889-Q892 WeakPolarHBondContact O-CB 3.35Å; P889-Q892 PolarHBondContact O-N 3.3Å; P889-Q892 VanDerWaalsContact O-N 3.12Å; P889-E921 HydrophobicContact CB-CB 4.46Å; P889-E921 HydrophobicContact CG-CB 4.13Å; P889-E922 HydrophobicContact CB-CG 4.03Å
890	A	92.8	Very high	95.3	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-57.8	-38.3	175.6	0	0	0	0	0	112.5	G888 Q892 R893 V897 E921 A925	G888-A890 VanDerWaalsContact C-N 3.3Å; G888-A890 PolarHBondContact O-N 3Å; A890-Q892 PolarHBondContact O-N 3.34Å; A890-R893 CarbonylContact O-C 3.51Å; A890-R893 PolarHBondContact O-N 2.98Å; A890-V897 HydrophobicContact CB-CG2 3.81Å; A890-V897 WeakPolarHBondContact O-CG2 3.47Å; A890-E921 WeakPolarHBondContact CB-O 3.22Å; A890-E921 PolarHBondContact N-O 3.02Å; A890-A925 HydrophobicContact CB-CB 4.04Å
891	A	92.1	Very high	95.3	Very high	16 Å²	16	47.3 Å²	47.3	13%	0.132	25%	0.247	C	C	.	.	H	α-helix	trans	-65.2	-24.2	177.8	0	0	0	0	0	114.3	D886 G888 P889	D886-A891 WeakPolarHBondContact O-CB 3.38Å; G888-A891 VanDerWaalsContact O-CB 3.31Å; G888-A891 WeakPolarHBondContact O-CB 3.16Å; G888-A891 PolarHBondContact O-N 3.5Å; G888-A891 VanDerWaalsContact O-N 3.12Å; P889-A891 VanDerWaalsContact C-N 3.26Å; P889-A891 PolarHBondContact O-N 2.84Å
892	Q	93.9	Very high	95.4	Very high	160 Å²	160	42.6 Å²	42.6	75%	0.748	23%	0.225	S	C	*	.	H	α-helix	trans	-82.3	-21.6	-179.6	-59	179	13.8	0	0	112.6	P889 A890	P889-Q892 WeakPolarHBondContact O-CB 3.35Å; P889-Q892 PolarHBondContact O-N 3.3Å; P889-Q892 VanDerWaalsContact O-N 3.12Å; A890-Q892 PolarHBondContact O-N 3.34Å
893	R	92.3	Very high	95.4	Very high	119 Å²	119	41.7 Å²	41.7	45%	0.449	22%	0.222	S	C	.	.			trans	-133.2	68.9	176.4	-65.6	-169.4	-66.6	160.4	-2.9	111.4	A890 D895 A896 E922	A890-R893 CarbonylContact O-C 3.51Å; A890-R893 PolarHBondContact O-N 2.98Å; R893-D895 PolarHBondContact O-N 3.42Å; R893-D895 VanDerWaalsContact O-N 3.17Å; R893-A896 HydrophobicContact CB-CB 4Å; R893-A896 WeakPolarHBondContact O-CB 3.21Å; R893-A896 PolarHBondContact O-N 2.98Å; R893-E922 IonicContact CZ-OE1 2.65Å; R893-E922 IonicContact CZ-OE2 2.88Å; R893-E922 IonicContact NH2-OE1 3.49Å; R893-E922 PolarHBondContact NH2-OE1 3.3Å; R893-E922 IonicContact NH2-OE2 3.03Å; R893-E922 PolarHBondContact NH2-OE2 3.13Å
894	P	93.4	Very high	95.4	Very high	34 Å²	34	41.5 Å²	41.5	22%	0.221	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-58.8	-33	-173.4	-22.4	33	0	0	0	114.3	A896 V897 R946 F947	P894-A896 VanDerWaalsContact C-N 3.26Å; P894-A896 PolarHBondContact O-N 3.41Å; P894-V897 WeakPolarHBondContact O-CB 3.28Å; P894-V897 PolarHBondContact O-N 2.93Å; P894-R946 HydrophobicContact CB-CG 4.42Å; P894-R946 WeakPolarHBondContact CB-O 3.31Å; P894-F947 HydrophobicContact CB-CD1 3.73Å; P894-F947 HydrophobicContact CB-CE1 3.86Å; P894-F947 HydrophobicContact CG-CE1 4.43Å
895	D	93.9	Very high	95.4	Very high	116 Å²	116	40.9 Å²	40.9	62%	0.62	22%	0.218	S	C	*	.	G	3₁₀ helix	trans	-68	-23.8	177.4	-62.9	-41.7	0	0	0	113.8	R893 N949	R893-D895 PolarHBondContact O-N 3.42Å; R893-D895 VanDerWaalsContact O-N 3.17Å; D895-N949 PolarHBondContact O-ND2 3.01Å
896	A	94.1	Very high	95.4	Very high	42 Å²	42	40 Å²	40	35%	0.347	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-85.9	-10.3	178.4	0	0	0	0	0	112.8	R893 P894 K898	R893-A896 HydrophobicContact CB-CB 4Å; R893-A896 WeakPolarHBondContact O-CB 3.21Å; R893-A896 PolarHBondContact O-N 2.98Å; P894-A896 VanDerWaalsContact C-N 3.26Å; P894-A896 PolarHBondContact O-N 3.41Å; A896-K898 PolarHBondContact O-N 3.27Å
897	V	97.1	Very high	95.5	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.208	C	C	.	.			trans	-71.9	122	177.7	179.9	0	0	0	0	109.1	A890 P894 R899 A925 F947 A950	A890-V897 HydrophobicContact CB-CG2 3.81Å; A890-V897 WeakPolarHBondContact O-CG2 3.47Å; P894-V897 WeakPolarHBondContact O-CB 3.28Å; P894-V897 PolarHBondContact O-N 2.93Å; V897-R899 VanDerWaalsContact CG1-O 3.26Å; V897-R899 WeakPolarHBondContact CG1-O 3.39Å; V897-A925 HydrophobicContact CG1-CB 3.93Å; V897-F947 HydrophobicContact CB-CD1 3.65Å; V897-F947 HydrophobicContact CB-CE1 4.22Å; V897-F947 HydrophobicContact CB-CG 4.38Å; V897-F947 HydrophobicContact CG1-CD1 3.93Å; V897-F947 HydrophobicContact CG1-CE1 4.45Å; V897-F947 HydrophobicContact CG1-CG 4.29Å; V897-F947 HydrophobicContact CG2-CD1 3.57Å; V897-F947 HydrophobicContact CG2-CE1 3.62Å; V897-A950 HydrophobicContact CG1-CB 4.08Å
898	K	96.6	Very high	95.8	Very high	119 Å²	119	35.3 Å²	35.3	52%	0.517	18%	0.181	S	C	.	.			trans	-92.8	-25.4	177.9	-64.8	-175.9	177.2	-177	0	112.2	A896 T923 A950 D951 L1015	A896-K898 PolarHBondContact O-N 3.27Å; K898-T923 PolarHBondContact N-O 3.41Å; K898-A950 CarbonylContact O-C 3.45Å; K898-A950 VanDerWaalsContact O-CA 3.23Å; K898-A950 WeakPolarHBondContact O-CA 3.49Å; K898-D951 PolarHBondContact O-N 2.79Å; K898-L1015 HydrophobicContact CB-CD2 4.4Å; K898-L1015 HydrophobicContact CD-CD1 3.97Å
899	R	97.2	Very high	96.1	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	136.4	-179.7	-179.2	168.2	-69.7	171.4	5.2	112.3	V897 I901 T923 V924 A925 D951 V953 A1012 D1014 L1015	V897-R899 VanDerWaalsContact CG1-O 3.26Å; V897-R899 WeakPolarHBondContact CG1-O 3.39Å; R899-I901 HydrophobicContact CG-CG1 3.96Å; R899-T923 PolarHBondContact N-O 3.47Å; R899-V924 HydrophobicContact CB-CG1 4.4Å; R899-V924 HydrophobicContact CB-CG2 4.3Å; R899-V924 CarbonylContact O-C 3.53Å; R899-V924 WeakPolarHBondContact O-CA 3.36Å; R899-A925 PolarHBondContact O-N 3.03Å; R899-D951 WeakPolarHBondContact CA-O 3.42Å; R899-D951 IonicContact CZ-OD2 2.71Å; R899-D951 IonicContact NE-OD2 3.78Å; R899-D951 PolarHBondContact NE-OD2 3.18Å; R899-D951 IonicContact NH2-OD2 3.45Å; R899-D951 PolarHBondContact NH2-OD2 2.93Å; R899-V953 HydrophobicContact CG-CG2 4.13Å; R899-A1012 WeakPolarHBondContact CD-O 3.46Å; R899-A1012 PolarHBondContact NH1-O 3.29Å; R899-D1014 VanDerWaalsContact CZ-O 3.23Å; R899-D1014 VanDerWaalsContact NH1-C 3.33Å; R899-D1014 PolarHBondContact NH1-O 2.75Å; R899-D1014 PolarHBondContact NH2-O 2.97Å; R899-L1015 HydrophobicContact CB-CD2 4.06Å; R899-L1015 PolarHBondContact NH2-O 3.26Å
900	L	97.8	Very high	96.3	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	116.7	170	175	62.1	0	0	0	108.7	F902 A925 S927 E943 F947 A950 D951 L952 V953	L900-F902 HydrophobicContact CD2-CE1 4.31Å; L900-F902 HydrophobicContact CD2-CE2 3.69Å; L900-F902 HydrophobicContact CD2-CZ 3.54Å; L900-F902 HydrophobicContact CG-CE2 4.09Å; L900-F902 HydrophobicContact CG-CZ 4.16Å; L900-A925 HydrophobicContact CD1-CB 3.81Å; L900-S927 WeakPolarHBondContact CD1-OG 3.49Å; L900-E943 HydrophobicContact CD1-CG 4.39Å; L900-E943 HydrophobicContact CD2-CG 4.24Å; L900-F947 HydrophobicContact CD1-CD2 3.93Å; L900-F947 HydrophobicContact CD1-CE2 4.07Å; L900-F947 HydrophobicContact CD2-CD2 4.08Å; L900-F947 HydrophobicContact CG-CD2 4.45Å; L900-A950 HydrophobicContact CB-CB 4.17Å; L900-D951 PolarHBondContact N-O 3.44Å; L900-L952 HydrophobicContact CB-CD2 3.93Å; L900-L952 HydrophobicContact CD2-CD2 3.84Å; L900-L952 HydrophobicContact CG-CD2 4.24Å; L900-V953 PolarHBondContact O-N 2.89Å
901	I	98.6	Very high	96.6	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	113.8	176.7	-56.2	179.5	0	0	0	108.7	R899 L911 V924 A925 I926 S927 V953 C955 A1012 F1013	R899-I901 HydrophobicContact CG-CG1 3.96Å; I901-L911 HydrophobicContact CG2-CD1 4.1Å; I901-V924 HydrophobicContact CD1-CG1 3.65Å; I901-V924 HydrophobicContact CG1-CG1 3.94Å; I901-A925 PolarHBondContact N-O 3.46Å; I901-I926 HydrophobicContact CB-CG1 4.43Å; I901-I926 WeakPolarHBondContact O-CA 3.45Å; I901-S927 PolarHBondContact O-N 2.99Å; I901-V953 CarbonylContact C-O 3.57Å; I901-V953 WeakPolarHBondContact CA-O 3.35Å; I901-V953 HydrophobicContact CG1-CB 4.37Å; I901-C955 HydrophobicContact CG2-CB 3.52Å; I901-A1012 HydrophobicContact CD1-CB 4.3Å; I901-F1013 HydrophobicContact CD1-CD1 4.42Å; I901-F1013 HydrophobicContact CD1-CE1 4Å; I901-F1013 HydrophobicContact CD1-CZ 4.17Å
902	F	98.8	Very high	96.9	Very high	1 Å²	1	36.8 Å²	36.8	0%	0.004	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	135.4	164.2	-69.2	-69.7	0	0	0	109.9	L883 L900 S927 V940 E943 L952 V953 W954 C955 I972	L883-F902 HydrophobicContact CD1-CE1 4.12Å; L900-F902 HydrophobicContact CD2-CE1 4.31Å; L900-F902 HydrophobicContact CD2-CE2 3.69Å; L900-F902 HydrophobicContact CD2-CZ 3.54Å; L900-F902 HydrophobicContact CG-CE2 4.09Å; L900-F902 HydrophobicContact CG-CZ 4.16Å; F902-S927 WeakPolarHBondContact CA-O 3.22Å; F902-V940 HydrophobicContact CZ-CG1 4.25Å; F902-E943 HydrophobicContact CE1-CB 4.41Å; F902-E943 HydrophobicContact CE1-CG 4.13Å; F902-E943 HydrophobicContact CZ-CB 4.46Å; F902-E943 HydrophobicContact CZ-CG 4.36Å; F902-L952 HydrophobicContact CE2-CD2 4.33Å; F902-V953 PolarHBondContact N-O 3.38Å; F902-W954 HydrophobicContact CB-CE3 3.65Å; F902-W954 HydrophobicContact CB-CZ3 3.94Å; F902-W954 WeakPolarHBondContact O-CA 3.47Å; F902-C955 PolarHBondContact O-N 3.05Å; F902-I972 HydrophobicContact CD2-CD1 4.47Å
903	C	98.8	Very high	97	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	176.4	174.4	67.4	0	0	0	0	110.9	V907 L911 S927 R928 M929 C955	C903-V907 HydrophobicContact CB-CG1 3.73Å; C903-L911 HydrophobicContact CB-CD1 3.73Å; C903-S927 PolarHBondContact N-O 2.83Å; C903-R928 CarbonylContact O-C 3.1Å; C903-R928 WeakPolarHBondContact O-CA 3.32Å; C903-M929 PolarHBondContact O-N 3.14Å; C903-C955 WeakPolarHBondContact CA-O 3.24Å; C903-C955 WeakPolarHBondContact CB-O 3.32Å
904	T	98.7	Very high	97.3	Very high	6 Å²	6	31.6 Å²	31.6	4%	0.037	16%	0.158	C	C	.	.			trans	-144.7	148.8	176.2	-171.4	0	0	0	0	111.1	N830 M929 L932 W954 Y964	N830-T904 WeakPolarHBondContact CB-OG1 3.35Å; T904-M929 WeakPolarHBondContact CB-O 3.47Å; T904-M929 PolarHBondContact OG1-O 3.44Å; T904-L932 HydrophobicContact CG2-CD1 4.42Å; T904-W954 HydrophobicContact CG2-CH2 4.07Å; T904-W954 HydrophobicContact CG2-CZ2 3.97Å; T904-Y964 HydrophobicContact CG2-CD1 4.3Å; T904-Y964 HydrophobicContact CG2-CD2 3.34Å; T904-Y964 HydrophobicContact CG2-CE1 4.21Å; T904-Y964 HydrophobicContact CG2-CE2 3.28Å; T904-Y964 HydrophobicContact CG2-CG 3.86Å
905	G	97.7	Very high	97.5	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	-144.7	179	0	0	0	0	0	115	N830 V907 Y908	N830-G905 VanDerWaalsContact CG-CA 3.47Å; N830-G905 WeakPolarHBondContact ND2-CA 3.47Å; N830-G905 VanDerWaalsContact OD1-CA 3.25Å; N830-G905 WeakPolarHBondContact OD1-CA 3.5Å; G905-V907 VanDerWaalsContact C-N 3.32Å; G905-V907 PolarHBondContact O-N 3.02Å; G905-Y908 WeakPolarHBondContact O-CB 3.3Å; G905-Y908 PolarHBondContact O-N 3.17Å
906	K	97.4	Very high	97.6	Very high	27 Å²	27	32 Å²	32	12%	0.117	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-23.7	-165.1	81.3	170.2	-174.9	65.4	0	115.8	M783 E784 L861 Y908 Y909 E957	M783-K906 PolarHBondContact O-NZ 3.33Å; E784-K906 HydrophobicContact CG-CD 4.47Å; L861-K906 HydrophobicContact CD1-CB 3.7Å; L861-K906 HydrophobicContact CD2-CB 4.02Å; L861-K906 HydrophobicContact CG-CB 3.84Å; K906-Y908 PolarHBondContact O-N 3.33Å; K906-Y908 VanDerWaalsContact O-N 3.08Å; K906-Y909 PolarHBondContact O-N 3.48Å; K906-E957 WeakPolarHBondContact CE-OE1 3.49Å; K906-E957 WeakPolarHBondContact CE-OE2 3.4Å; K906-E957 IonicContact NZ-OE1 3.56Å; K906-E957 IonicContact NZ-OE2 2.75Å; K906-E957 PolarHBondContact NZ-OE2 2.87Å
907	V	98.3	Very high	97.8	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.012	17%	0.166	C	C	.	.	H	α-helix	trans	-60.4	-23.9	-177.5	74.1	0	0	0	0	111.8	C903 G905 Y909 E910 L911 E957 F1008	C903-V907 HydrophobicContact CB-CG1 3.73Å; G905-V907 VanDerWaalsContact C-N 3.32Å; G905-V907 PolarHBondContact O-N 3.02Å; V907-Y909 PolarHBondContact O-N 3.33Å; V907-E910 PolarHBondContact O-N 3.07Å; V907-E910 VanDerWaalsContact O-N 3.13Å; V907-L911 HydrophobicContact CG1-CD1 4.28Å; V907-L911 HydrophobicContact CG2-CD1 4.4Å; V907-L911 HydrophobicContact CG2-CG 4.37Å; V907-L911 WeakPolarHBondContact O-CG 3.32Å; V907-L911 PolarHBondContact O-N 2.56Å; V907-E957 HydrophobicContact CB-CB 4.48Å; V907-E957 HydrophobicContact CG2-CB 4.3Å; V907-F1008 HydrophobicContact CG2-CE2 3.99Å; V907-F1008 HydrophobicContact CG2-CZ 4.11Å
908	Y	98.4	Very high	97.8	Very high	37 Å²	37	41.3 Å²	41.3	15%	0.145	18%	0.18	C	C	.	.	H	α-helix	trans	-49.5	-42.2	171.3	171.6	-105.8	0	0	0	113.3	G905 K906 L911 T912 I926 R928	G905-Y908 WeakPolarHBondContact O-CB 3.3Å; G905-Y908 PolarHBondContact O-N 3.17Å; K906-Y908 PolarHBondContact O-N 3.33Å; K906-Y908 VanDerWaalsContact O-N 3.08Å; Y908-L911 PolarHBondContact O-N 3.2Å; Y908-T912 HydrophobicContact CD1-CG2 4.47Å; Y908-T912 HydrophobicContact CD2-CG2 3.92Å; Y908-T912 HydrophobicContact CE1-CG2 4.02Å; Y908-T912 HydrophobicContact CE2-CG2 3.4Å; Y908-T912 VanDerWaalsContact CE2-CG2 3.4Å; Y908-T912 HydrophobicContact CG-CG2 4.42Å; Y908-T912 VanDerWaalsContact CZ-CG2 3.46Å; Y908-T912 WeakPolarHBondContact O-CB 3.48Å; Y908-T912 WeakPolarHBondContact O-CG2 3.5Å; Y908-T912 PolarHBondContact O-N 3.45Å; Y908-T912 PolarHBondContact O-OG1 3.04Å; Y908-I926 HydrophobicContact CD2-CG2 3.81Å; Y908-I926 HydrophobicContact CE2-CG2 4.13Å; Y908-R928 VanDerWaalsContact CD2-CD 3.43Å; Y908-R928 HydrophobicContact CD2-CG 3.45Å; Y908-R928 VanDerWaalsContact CD2-CG 3.45Å; Y908-R928 HydrophobicContact CE2-CG 3.99Å; Y908-R928 VanDerWaalsContact CG-CD 3.49Å; Y908-R928 HydrophobicContact CG-CG 3.82Å
909	Y	97.9	Very high	97.8	Very high	19 Å²	19	38.5 Å²	38.5	8%	0.075	19%	0.185	C	C	.	.	H	α-helix	trans	-70.3	-34.6	-177.7	-68.1	-81.2	0	0	0	112.3	S832 L861 H864 D866 A867 K906 V907 T912 K913	S832-Y909 WeakPolarHBondContact O-CE2 3.39Å; S832-Y909 PolarHBondContact O-OH 2.91Å; L861-Y909 HydrophobicContact CD1-CD2 4.12Å; L861-Y909 HydrophobicContact CD1-CE2 3.76Å; L861-Y909 HydrophobicContact CD2-CD2 3.46Å; L861-Y909 VanDerWaalsContact CD2-CD2 3.46Å; L861-Y909 HydrophobicContact CD2-CE2 3.67Å; L861-Y909 HydrophobicContact CD2-CG 4.16Å; L861-Y909 HydrophobicContact CG-CD2 4.45Å; L861-Y909 HydrophobicContact CG-CE2 4.35Å; H864-Y909 AromaticContact CE1-CD1 3.83Å; H864-Y909 AromaticContact ND1-CD1 3.92Å; D866-Y909 HydrophobicContact CB-CD1 4.02Å; D866-Y909 HydrophobicContact CB-CE1 3.77Å; D866-Y909 WeakPolarHBondContact O-CE1 3.41Å; D866-Y909 PolarHBondContact O-OH 3.27Å; A867-Y909 WeakPolarHBondContact CA-OH 3.23Å; A867-Y909 HydrophobicContact CB-CE1 4.37Å; A867-Y909 HydrophobicContact CB-CE2 4.41Å; K906-Y909 PolarHBondContact O-N 3.48Å; V907-Y909 PolarHBondContact O-N 3.33Å; Y909-T912 WeakPolarHBondContact CA-OG1 3.45Å; Y909-T912 PolarHBondContact O-OG1 3.23Å; Y909-T912 VanDerWaalsContact O-OG1 3.12Å; Y909-K913 VanDerWaalsContact O-CB 3.31Å; Y909-K913 WeakPolarHBondContact O-CB 3.46Å; Y909-K913 PolarHBondContact O-N 3.27Å
910	E	97.7	Very high	97.8	Very high	62 Å²	62	40 Å²	40	29%	0.29	19%	0.193	S	C	.	.	H	α-helix	trans	-70.9	-40.8	172.6	-64.5	-63.1	164.8	0	0	111.3	V907 E914 L1005	V907-E910 PolarHBondContact O-N 3.07Å; V907-E910 VanDerWaalsContact O-N 3.13Å; E910-E914 WeakPolarHBondContact O-CB 3.26Å; E910-E914 PolarHBondContact O-N 3.4Å; E910-L1005 HydrophobicContact CG-CD1 4.49Å
911	L	98.4	Very high	97.7	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-63.7	-47.1	178.4	-72.5	170.2	0	0	0	112.1	I901 C903 V907 Y908 E914 R915 I926 C955 L1009 A1012 F1013	I901-L911 HydrophobicContact CG2-CD1 4.1Å; C903-L911 HydrophobicContact CB-CD1 3.73Å; V907-L911 HydrophobicContact CG1-CD1 4.28Å; V907-L911 HydrophobicContact CG2-CD1 4.4Å; V907-L911 HydrophobicContact CG2-CG 4.37Å; V907-L911 WeakPolarHBondContact O-CG 3.32Å; V907-L911 PolarHBondContact O-N 2.56Å; Y908-L911 PolarHBondContact O-N 3.2Å; L911-E914 PolarHBondContact O-N 2.76Å; L911-R915 VanDerWaalsContact O-CB 3.28Å; L911-R915 WeakPolarHBondContact O-CB 3.24Å; L911-R915 PolarHBondContact O-N 2.92Å; L911-I926 HydrophobicContact CB-CD1 3.9Å; L911-I926 HydrophobicContact CD1-CG2 4.37Å; L911-C955 HydrophobicContact CD1-CB 4.03Å; L911-C955 HydrophobicContact CD2-CB 4.4Å; L911-L1009 HydrophobicContact CD2-CD2 3.8Å; L911-L1009 HydrophobicContact CG-CD2 4.46Å; L911-A1012 HydrophobicContact CD2-CB 4.19Å; L911-F1013 HydrophobicContact CB-CZ 4.4Å; L911-F1013 HydrophobicContact CD2-CE2 3.75Å; L911-F1013 HydrophobicContact CD2-CZ 4.08Å; L911-F1013 VanDerWaalsContact O-CZ 3.22Å; L911-F1013 WeakPolarHBondContact O-CZ 3.22Å
912	T	97.3	Very high	97.5	Very high	29 Å²	29	48 Å²	48	18%	0.178	23%	0.23	C	C	.	.	H	α-helix	trans	-63.8	-42.4	179.3	46.5	0	0	0	0	112.2	Y908 Y909 R915 K916 I926	Y908-T912 HydrophobicContact CD1-CG2 4.47Å; Y908-T912 HydrophobicContact CD2-CG2 3.92Å; Y908-T912 HydrophobicContact CE1-CG2 4.02Å; Y908-T912 HydrophobicContact CE2-CG2 3.4Å; Y908-T912 VanDerWaalsContact CE2-CG2 3.4Å; Y908-T912 HydrophobicContact CG-CG2 4.42Å; Y908-T912 VanDerWaalsContact CZ-CG2 3.46Å; Y908-T912 WeakPolarHBondContact O-CB 3.48Å; Y908-T912 WeakPolarHBondContact O-CG2 3.5Å; Y908-T912 PolarHBondContact O-N 3.45Å; Y908-T912 PolarHBondContact O-OG1 3.04Å; Y909-T912 WeakPolarHBondContact CA-OG1 3.45Å; Y909-T912 PolarHBondContact O-OG1 3.23Å; Y909-T912 VanDerWaalsContact O-OG1 3.12Å; T912-R915 PolarHBondContact O-N 3.21Å; T912-K916 WeakPolarHBondContact O-CB 3.31Å; T912-K916 PolarHBondContact O-N 3.42Å; T912-I926 HydrophobicContact CG2-CD1 4.07Å
913	K	97.3	Very high	97.4	Very high	144 Å²	144	49.7 Å²	49.7	63%	0.626	24%	0.241	S	C	*	.	H	α-helix	trans	-60.5	-46.8	174.2	-179.6	-178.5	175.7	-174.5	0	112	Y909 K917	Y909-K913 VanDerWaalsContact O-CB 3.31Å; Y909-K913 WeakPolarHBondContact O-CB 3.46Å; Y909-K913 PolarHBondContact O-N 3.27Å; K913-K917 WeakPolarHBondContact O-CB 3.35Å; K913-K917 PolarHBondContact O-N 3.06Å
914	E	98	Very high	97.4	Very high	26 Å²	26	49.7 Å²	49.7	12%	0.121	24%	0.241	C	C	.	.	H	α-helix	trans	-70	-38.9	179.8	-171	65.3	-163.1	0	0	111.9	E910 L911 K916 K917 R918 L1009 F1013	E910-E914 WeakPolarHBondContact O-CB 3.26Å; E910-E914 PolarHBondContact O-N 3.4Å; L911-E914 PolarHBondContact O-N 2.76Å; E914-K916 VanDerWaalsContact C-N 3.34Å; E914-K916 PolarHBondContact O-N 2.79Å; E914-K917 WeakPolarHBondContact O-CB 3.5Å; E914-K917 PolarHBondContact O-N 2.88Å; E914-K917 IonicContact OE1-NZ 2.73Å; E914-K917 WeakPolarHBondContact OE2-CD 3.43Å; E914-K917 IonicContact OE2-NZ 2.69Å; E914-K917 PolarHBondContact OE2-NZ 3.09Å; E914-R918 WeakPolarHBondContact O-CG 3.4Å; E914-R918 PolarHBondContact O-N 2.9Å; E914-R918 IonicContact OE1-CZ 3.42Å; E914-R918 VanDerWaalsContact OE1-CZ 3.31Å; E914-R918 IonicContact OE1-NE 3.13Å; E914-R918 PolarHBondContact OE1-NE 3.05Å; E914-R918 IonicContact OE1-NH2 2.78Å; E914-R918 PolarHBondContact OE1-NH2 3.34Å; E914-L1009 HydrophobicContact CB-CD1 4.46Å; E914-L1009 HydrophobicContact CB-CD2 4.43Å; E914-L1009 HydrophobicContact CG-CB 4.31Å; E914-L1009 HydrophobicContact CG-CD1 4.49Å; E914-F1013 HydrophobicContact CB-CD2 4.3Å; E914-F1013 HydrophobicContact CB-CE2 3.91Å; E914-F1013 HydrophobicContact CG-CD2 3.89Å; E914-F1013 HydrophobicContact CG-CE2 4.03Å
915	R	97.9	Very high	97.4	Very high	17 Å²	17	49.4 Å²	49.4	6%	0.064	24%	0.239	C	C	.	.	H	α-helix	trans	-54.7	-49.4	173.4	-176.8	176.6	67.7	177.7	-3.7	111.5	D886 L911 T912 R918 G919 L920 E921 V924 I926 F1013	D886-R915 IonicContact OD2-CZ 3.78Å; D886-R915 IonicContact OD2-NH1 3.05Å; D886-R915 PolarHBondContact OD2-NH1 3.1Å; D886-R915 IonicContact OD2-NH2 3.49Å; L911-R915 VanDerWaalsContact O-CB 3.28Å; L911-R915 WeakPolarHBondContact O-CB 3.24Å; L911-R915 PolarHBondContact O-N 2.92Å; T912-R915 PolarHBondContact O-N 3.21Å; R915-R918 PolarHBondContact O-N 3.41Å; R915-G919 PolarHBondContact O-N 3.05Å; R915-G919 VanDerWaalsContact O-N 3.16Å; R915-L920 HydrophobicContact CG-CB 4.17Å; R915-L920 PolarHBondContact O-N 3.35Å; R915-L920 VanDerWaalsContact O-N 3.07Å; R915-E921 HydrophobicContact CG-CG 4.21Å; R915-V924 WeakPolarHBondContact CD-O 3.45Å; R915-V924 PolarHBondContact NH1-O 3.25Å; R915-I926 HydrophobicContact CB-CD1 4.14Å; R915-F1013 HydrophobicContact CB-CE1 3.55Å; R915-F1013 HydrophobicContact CB-CZ 3.63Å; R915-F1013 HydrophobicContact CG-CE1 3.91Å; R915-F1013 HydrophobicContact CG-CZ 4.45Å
916	K	96.9	Very high	97.4	Very high	141 Å²	141	49.4 Å²	49.4	61%	0.613	24%	0.239	S	C	*	.	H	α-helix	trans	-63.4	-44.6	178.6	-177.8	173	-177	172.9	0	111.6	T912 E914 R918 G919 E921	T912-K916 WeakPolarHBondContact O-CB 3.31Å; T912-K916 PolarHBondContact O-N 3.42Å; E914-K916 VanDerWaalsContact C-N 3.34Å; E914-K916 PolarHBondContact O-N 2.79Å; K916-R918 PolarHBondContact O-N 2.75Å; K916-G919 PolarHBondContact O-N 3.12Å; K916-E921 HydrophobicContact CB-CG 4.48Å
917	K	97.5	Very high	97.4	Very high	157 Å²	157	48.1 Å²	48.1	68%	0.683	23%	0.234	S	C	*	.	H	α-helix	trans	-59.5	-32.8	177.4	-179.3	-175.4	161.2	-149.7	0	112.8	K913 E914	K913-K917 WeakPolarHBondContact O-CB 3.35Å; K913-K917 PolarHBondContact O-N 3.06Å; E914-K917 WeakPolarHBondContact O-CB 3.5Å; E914-K917 PolarHBondContact O-N 2.88Å; E914-K917 IonicContact OE1-NZ 2.73Å; E914-K917 WeakPolarHBondContact OE2-CD 3.43Å; E914-K917 IonicContact OE2-NZ 2.69Å; E914-K917 PolarHBondContact OE2-NZ 3.09Å
918	R	97.3	Very high	97.5	Very high	81 Å²	81	49.1 Å²	49.1	31%	0.306	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-3.9	176.7	-64	-175.9	-169.9	-151.2	0.6	114.1	E914 R915 K916 L920 D1010	E914-R918 WeakPolarHBondContact O-CG 3.4Å; E914-R918 PolarHBondContact O-N 2.9Å; E914-R918 IonicContact OE1-CZ 3.42Å; E914-R918 VanDerWaalsContact OE1-CZ 3.31Å; E914-R918 IonicContact OE1-NE 3.13Å; E914-R918 PolarHBondContact OE1-NE 3.05Å; E914-R918 IonicContact OE1-NH2 2.78Å; E914-R918 PolarHBondContact OE1-NH2 3.34Å; R915-R918 PolarHBondContact O-N 3.41Å; K916-R918 PolarHBondContact O-N 2.75Å; R918-L920 VanDerWaalsContact C-N 3.3Å; R918-L920 HydrophobicContact CB-CD1 3.8Å; R918-L920 HydrophobicContact CB-CG 3.83Å; R918-L920 PolarHBondContact O-N 3.49Å; R918-D1010 IonicContact CZ-OD1 2.78Å; R918-D1010 IonicContact NH1-OD1 3.8Å; R918-D1010 IonicContact NH2-OD1 2.67Å; R918-D1010 PolarHBondContact NH2-OD1 3.31Å
919	G	96.6	Very high	97.5	Very high	60 Å²	60	47.4 Å²	47.4	62%	0.619	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.9	29.3	-177.5	0	0	0	0	0	113.9	R915 K916	R915-G919 PolarHBondContact O-N 3.05Å; R915-G919 VanDerWaalsContact O-N 3.16Å; K916-G919 PolarHBondContact O-N 3.12Å
920	L	96.8	Very high	97.5	Very high	32 Å²	32	46.5 Å²	46.5	17%	0.168	23%	0.227	C	C	.	.			trans	-99.9	15.1	-173.9	-65.1	176.3	0	0	0	113.6	R915 R918 E922 T923 V924 F1013	R915-L920 HydrophobicContact CG-CB 4.17Å; R915-L920 PolarHBondContact O-N 3.35Å; R915-L920 VanDerWaalsContact O-N 3.07Å; R918-L920 VanDerWaalsContact C-N 3.3Å; R918-L920 HydrophobicContact CB-CD1 3.8Å; R918-L920 HydrophobicContact CB-CG 3.83Å; R918-L920 PolarHBondContact O-N 3.49Å; L920-E922 PolarHBondContact O-N 3.48Å; L920-E922 VanDerWaalsContact O-N 3.17Å; L920-T923 WeakPolarHBondContact CD2-OG1 3.49Å; L920-T923 PolarHBondContact O-N 2.75Å; L920-T923 VanDerWaalsContact O-N 3.11Å; L920-T923 PolarHBondContact O-OG1 3.43Å; L920-V924 HydrophobicContact CB-CB 4.45Å; L920-V924 HydrophobicContact CB-CG2 4.03Å; L920-V924 HydrophobicContact CD1-CG2 4.36Å; L920-V924 PolarHBondContact O-N 2.9Å; L920-F1013 HydrophobicContact CD1-CB 4.06Å; L920-F1013 HydrophobicContact CD1-CD1 3.88Å; L920-F1013 HydrophobicContact CD1-CG 4.36Å
921	E	96	Very high	97.5	Very high	67 Å²	67	43.6 Å²	43.6	31%	0.313	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-23.9	-173	-64.6	175.7	116	0	0	113.8	P889 A890 R915 K916	P889-E921 HydrophobicContact CB-CB 4.46Å; P889-E921 HydrophobicContact CG-CB 4.13Å; A890-E921 WeakPolarHBondContact CB-O 3.22Å; A890-E921 PolarHBondContact N-O 3.02Å; R915-E921 HydrophobicContact CG-CG 4.21Å; K916-E921 HydrophobicContact CB-CG 4.48Å
922	E	95	Very high	97.5	Very high	100 Å²	100	43.6 Å²	43.6	47%	0.467	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-21.9	178.2	-50.4	-169.3	120.4	0	0	113.1	P889 R893 L920	P889-E922 HydrophobicContact CB-CG 4.03Å; R893-E922 IonicContact CZ-OE1 2.65Å; R893-E922 IonicContact CZ-OE2 2.88Å; R893-E922 IonicContact NH2-OE1 3.49Å; R893-E922 PolarHBondContact NH2-OE1 3.3Å; R893-E922 IonicContact NH2-OE2 3.03Å; R893-E922 PolarHBondContact NH2-OE2 3.13Å; L920-E922 PolarHBondContact O-N 3.48Å; L920-E922 VanDerWaalsContact O-N 3.17Å
923	T	96.1	Very high	97.6	Very high	36 Å²	36	42.2 Å²	42.2	22%	0.221	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	-17.9	-171.7	52.4	0	0	0	0	113.7	K898 R899 L920	K898-T923 PolarHBondContact N-O 3.41Å; R899-T923 PolarHBondContact N-O 3.47Å; L920-T923 WeakPolarHBondContact CD2-OG1 3.49Å; L920-T923 PolarHBondContact O-N 2.75Å; L920-T923 VanDerWaalsContact O-N 3.11Å; L920-T923 PolarHBondContact O-OG1 3.43Å
924	V	97.9	Very high	97.6	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	115.9	-178.3	-178.1	0	0	0	0	110	R899 I901 R915 L920 F1013 L1015	R899-V924 HydrophobicContact CB-CG1 4.4Å; R899-V924 HydrophobicContact CB-CG2 4.3Å; R899-V924 CarbonylContact O-C 3.53Å; R899-V924 WeakPolarHBondContact O-CA 3.36Å; I901-V924 HydrophobicContact CD1-CG1 3.65Å; I901-V924 HydrophobicContact CG1-CG1 3.94Å; R915-V924 WeakPolarHBondContact CD-O 3.45Å; R915-V924 PolarHBondContact NH1-O 3.25Å; L920-V924 HydrophobicContact CB-CB 4.45Å; L920-V924 HydrophobicContact CB-CG2 4.03Å; L920-V924 HydrophobicContact CD1-CG2 4.36Å; L920-V924 PolarHBondContact O-N 2.9Å; V924-F1013 HydrophobicContact CB-CE1 4.34Å; V924-F1013 HydrophobicContact CG1-CD1 4.2Å; V924-F1013 HydrophobicContact CG1-CE1 3.83Å; V924-F1013 HydrophobicContact CG2-CD1 4.35Å; V924-L1015 HydrophobicContact CG2-CD2 4.09Å
925	A	98.2	Very high	97.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	143.3	171.8	0	0	0	0	0	110.4	D886 A890 V897 R899 L900 I901 F947	D886-A925 HydrophobicContact CB-CB 4.02Å; A890-A925 HydrophobicContact CB-CB 4.04Å; V897-A925 HydrophobicContact CG1-CB 3.93Å; R899-A925 PolarHBondContact O-N 3.03Å; L900-A925 HydrophobicContact CD1-CB 3.81Å; I901-A925 PolarHBondContact N-O 3.46Å; A925-F947 HydrophobicContact CB-CD2 4.31Å; A925-F947 HydrophobicContact CB-CE1 4.13Å; A925-F947 HydrophobicContact CB-CE2 3.81Å; A925-F947 HydrophobicContact CB-CZ 3.7Å
926	I	98.5	Very high	97.5	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	116.4	176	-56.3	165.3	0	0	0	108.9	D886 I901 Y908 L911 T912 R915 F1013	D886-I926 PolarHBondContact OD2-N 3.12Å; I901-I926 HydrophobicContact CB-CG1 4.43Å; I901-I926 WeakPolarHBondContact O-CA 3.45Å; Y908-I926 HydrophobicContact CD2-CG2 3.81Å; Y908-I926 HydrophobicContact CE2-CG2 4.13Å; L911-I926 HydrophobicContact CB-CD1 3.9Å; L911-I926 HydrophobicContact CD1-CG2 4.37Å; T912-I926 HydrophobicContact CG2-CD1 4.07Å; R915-I926 HydrophobicContact CB-CD1 4.14Å; I926-F1013 HydrophobicContact CD1-CZ 4.29Å
927	S	98.4	Very high	97.5	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	138.4	-179	-47.5	0	0	0	0	110.2	L900 I901 F902 C903 E943	L900-S927 WeakPolarHBondContact CD1-OG 3.49Å; I901-S927 PolarHBondContact O-N 2.99Å; F902-S927 WeakPolarHBondContact CA-O 3.22Å; C903-S927 PolarHBondContact N-O 2.83Å; S927-E943 PolarHBondContact OG-OE1 3.33Å
928	R	98.4	Very high	97.4	Very high	23 Å²	23	21.7 Å²	21.7	9%	0.087	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	124.3	-172.7	-66.4	167	-84.9	177.4	-5.4	110.5	S832 L883 I884 C903 Y908	S832-R928 VanDerWaalsContact OG-CD 3.23Å; S832-R928 WeakPolarHBondContact OG-CD 3.45Å; S832-R928 PolarHBondContact OG-NH1 2.76Å; L883-R928 CarbonylContact C-O 3.59Å; L883-R928 VanDerWaalsContact CA-O 3.27Å; L883-R928 WeakPolarHBondContact CA-O 3.44Å; I884-R928 HydrophobicContact CB-CB 4.29Å; I884-R928 PolarHBondContact N-O 2.96Å; I884-R928 PolarHBondContact O-N 3.45Å; C903-R928 CarbonylContact O-C 3.1Å; C903-R928 WeakPolarHBondContact O-CA 3.32Å; Y908-R928 VanDerWaalsContact CD2-CD 3.43Å; Y908-R928 HydrophobicContact CD2-CG 3.45Å; Y908-R928 VanDerWaalsContact CD2-CG 3.45Å; Y908-R928 HydrophobicContact CE2-CG 3.99Å; Y908-R928 VanDerWaalsContact CG-CD 3.49Å; Y908-R928 HydrophobicContact CG-CG 3.82Å
929	M	98.6	Very high	97.4	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	103.3	171.8	-163.5	179.5	-67.4	0	0	108.7	C903 T904 Q931 L932 F935 P936 V940 W954 V968	C903-M929 PolarHBondContact O-N 3.14Å; T904-M929 WeakPolarHBondContact CB-O 3.47Å; T904-M929 PolarHBondContact OG1-O 3.44Å; M929-Q931 WeakPolarHBondContact CG-O 3.22Å; M929-L932 HydrophobicContact CB-CD2 3.97Å; M929-L932 HydrophobicContact CG-CD2 3.66Å; M929-L932 HydrophobicContact SD-CD2 3.67Å; M929-F935 HydrophobicContact CE-CD2 4.44Å; M929-F935 HydrophobicContact CE-CE2 3.52Å; M929-F935 HydrophobicContact CE-CZ 3.83Å; M929-F935 HydrophobicContact SD-CD2 3.95Å; M929-F935 HydrophobicContact SD-CE2 3.55Å; M929-F935 VanDerWaalsContact SD-CE2 3.55Å; M929-F935 HydrophobicContact SD-CZ 4.4Å; M929-P936 HydrophobicContact CG-CG 4.02Å; M929-P936 HydrophobicContact SD-CG 4.33Å; M929-V940 HydrophobicContact CE-CG2 3.6Å; M929-W954 HydrophobicContact CB-CZ3 4.48Å; M929-W954 HydrophobicContact CE-CZ3 4.19Å; M929-W954 HydrophobicContact SD-CZ3 4.4Å; M929-V968 HydrophobicContact SD-CG1 4.28Å
930	E	98.7	Very high	97.4	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.087	C	C	.	.			trans	-86.9	-33.9	-174.9	-60.5	-82.2	114.6	0	0	111.5	V829 N830 C831 S832 N836 F880 Q881 R882 I884	V829-E930 CarbonylContact C-O 3.48Å; V829-E930 WeakPolarHBondContact CA-O 3.34Å; V829-E930 WeakPolarHBondContact CB-O 3.33Å; N830-E930 PolarHBondContact N-O 3.48Å; C831-E930 WeakPolarHBondContact CA-OE2 3.36Å; S832-E930 WeakPolarHBondContact CB-OE1 3.33Å; S832-E930 VanDerWaalsContact N-CD 3.32Å; S832-E930 PolarHBondContact N-OE1 3.24Å; S832-E930 PolarHBondContact N-OE2 3.38Å; S832-E930 PolarHBondContact OG-OE1 3.45Å; N836-E930 VanDerWaalsContact ND2-CB 3.28Å; N836-E930 WeakPolarHBondContact ND2-CB 3.37Å; N836-E930 WeakPolarHBondContact ND2-CG 3.48Å; N836-E930 PolarHBondContact ND2-OE2 3.16Å; F880-E930 HydrophobicContact CZ-CB 4.04Å; Q881-E930 WeakPolarHBondContact O-CB 3.44Å; R882-E930 PolarHBondContact O-N 2.99Å; I884-E930 HydrophobicContact CD1-CG 3.67Å; I884-E930 HydrophobicContact CG1-CG 3.82Å
931	Q	98.6	Very high	97.4	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.005	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	120.4	170.9	179.1	180	-63.3	0	0	109.9	V829 F880 R882 M929 S933 P934 P936	V829-Q931 HydrophobicContact CG1-CB 4.13Å; V829-Q931 HydrophobicContact CG1-CG 4.24Å; F880-Q931 HydrophobicContact CE1-CB 3.78Å; F880-Q931 HydrophobicContact CZ-CB 4.11Å; R882-Q931 HydrophobicContact CB-CB 4.14Å; R882-Q931 HydrophobicContact CG-CB 4.2Å; R882-Q931 PolarHBondContact O-N 3.04Å; M929-Q931 WeakPolarHBondContact CG-O 3.22Å; Q931-S933 WeakPolarHBondContact CG-O 3.13Å; Q931-P934 PolarHBondContact NE2-O 3.23Å; Q931-P936 WeakPolarHBondContact O-CD 3.3Å
932	L	98.2	Very high	97.4	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	-40.7	-180	-55.4	-169.2	0	0	0	111.4	L799 V828 T904 M929 P934 F935 Y964 Y967	L799-L932 HydrophobicContact CD1-CD1 3.93Å; L799-L932 HydrophobicContact CD2-CB 3.92Å; V828-L932 PolarHBondContact O-N 3.3Å; T904-L932 HydrophobicContact CG2-CD1 4.42Å; M929-L932 HydrophobicContact CB-CD2 3.97Å; M929-L932 HydrophobicContact CG-CD2 3.66Å; M929-L932 HydrophobicContact SD-CD2 3.67Å; L932-P934 CarbonylContact O-C 3.38Å; L932-F935 VanDerWaalsContact O-CA 3.26Å; L932-F935 WeakPolarHBondContact O-CA 3.47Å; L932-F935 PolarHBondContact O-N 3.05Å; L932-Y964 HydrophobicContact CD1-CD1 3.04Å; L932-Y964 HydrophobicContact CD1-CE1 3.29Å; L932-Y964 HydrophobicContact CD1-CG 3.85Å; L932-Y967 WeakPolarHBondContact O-CE1 3.45Å; L932-Y967 PolarHBondContact O-OH 3.16Å; L932-Y967 VanDerWaalsContact O-OH 3.11Å
933	S	97.9	Very high	97.5	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	131.8	173.1	-171.9	0	0	0	0	110.9	C802 I827 V828 Q931 Y967	C802-S933 WeakPolarHBondContact SG-CB 3.43Å; C802-S933 PolarHBondContact SG-OG 3.07Å; I827-S933 WeakPolarHBondContact CA-O 3.35Å; V828-S933 PolarHBondContact N-O 3Å; V828-S933 PolarHBondContact O-N 3.27Å; Q931-S933 WeakPolarHBondContact CG-O 3.13Å; S933-Y967 WeakPolarHBondContact CB-OH 3.49Å; S933-Y967 PolarHBondContact OG-OH 3.26Å
934	P	97.3	Very high	97.4	Very high	4 Å²	4	14.5 Å²	14.5	3%	0.026	8%	0.077	C	C	.	.	S	Bend	cis	-64.1	147.1	-11.8	27.3	-33.9	0	0	0	111.3	Q820 L821 C824 Q931 L932	Q820-P934 HydrophobicContact CB-CB 3.76Å; Q820-P934 HydrophobicContact CB-CG 3.71Å; L821-P934 HydrophobicContact CD2-CG 3.95Å; L821-P934 HydrophobicContact CG-CG 4.33Å; C824-P934 HydrophobicContact CB-CB 4.31Å; C824-P934 HydrophobicContact CB-CG 4.47Å; Q931-P934 PolarHBondContact NE2-O 3.23Å; L932-P934 CarbonylContact O-C 3.38Å
935	F	97.8	Very high	97.3	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.103	C	C	.	.			trans	-68.1	133.4	-173.8	-174.6	-95.3	0	0	0	112.2	Q820 M929 L932 F937 V940 Y967 V968 R971 I972	Q820-F935 PolarHBondContact NE2-O 3.48Å; Q820-F935 VanDerWaalsContact NE2-O 3.17Å; M929-F935 HydrophobicContact CE-CD2 4.44Å; M929-F935 HydrophobicContact CE-CE2 3.52Å; M929-F935 HydrophobicContact CE-CZ 3.83Å; M929-F935 HydrophobicContact SD-CD2 3.95Å; M929-F935 HydrophobicContact SD-CE2 3.55Å; M929-F935 VanDerWaalsContact SD-CE2 3.55Å; M929-F935 HydrophobicContact SD-CZ 4.4Å; L932-F935 VanDerWaalsContact O-CA 3.26Å; L932-F935 WeakPolarHBondContact O-CA 3.47Å; L932-F935 PolarHBondContact O-N 3.05Å; F935-F937 VanDerWaalsContact C-N 3.3Å; F935-F937 HydrophobicContact CB-CD2 4.21Å; F935-F937 HydrophobicContact CB-CE2 3.84Å; F935-F937 HydrophobicContact CB-CZ 4.37Å; F935-F937 AromaticContact CD1-CD1 3.87Å; F935-F937 HydrophobicContact CD1-CD1 3.87Å; F935-F937 AromaticContact CD1-CD2 3.72Å; F935-F937 HydrophobicContact CD1-CD2 3.72Å; F935-F937 AromaticContact CD1-CE1 3.9Å; F935-F937 HydrophobicContact CD1-CE1 3.9Å; F935-F937 AromaticContact CD1-CE2 3.77Å; F935-F937 HydrophobicContact CD1-CE2 3.77Å; F935-F937 AromaticContact CD1-CG 3.76Å; F935-F937 HydrophobicContact CD1-CG 3.76Å; F935-F937 AromaticContact CD1-CZ 3.86Å; F935-F937 HydrophobicContact CD1-CZ 3.86Å; F935-F937 HydrophobicContact CE1-CD1 4.16Å; F935-F937 HydrophobicContact CE1-CE1 4.33Å; F935-F937 HydrophobicContact CE1-CG 4.34Å; F935-F937 HydrophobicContact CG-CD2 4.47Å; F935-F937 HydrophobicContact CG-CE2 4.27Å; F935-F937 HydrophobicContact CG-CZ 4.48Å; F935-F937 WeakPolarHBondContact O-CD2 3.46Å; F935-F937 PolarHBondContact O-N 3.41Å; F935-V940 HydrophobicContact CE1-CB 4.33Å; F935-V940 HydrophobicContact CE1-CG2 4.04Å; F935-V940 HydrophobicContact CZ-CB 4.42Å; F935-V940 HydrophobicContact CZ-CG1 4.35Å; F935-V940 HydrophobicContact CZ-CG2 3.83Å; F935-Y967 HydrophobicContact CD2-CE1 4.35Å; F935-V968 HydrophobicContact CE2-CB 4.25Å; F935-V968 HydrophobicContact CE2-CG1 4.34Å; F935-R971 HydrophobicContact CD1-CB 3.78Å; F935-R971 HydrophobicContact CD2-CB 3.98Å; F935-R971 HydrophobicContact CE1-CB 3.79Å; F935-R971 HydrophobicContact CE2-CB 3.97Å; F935-R971 HydrophobicContact CG-CB 3.89Å; F935-R971 HydrophobicContact CG-CG 4.3Å; F935-R971 HydrophobicContact CZ-CB 3.88Å; F935-I972 HydrophobicContact CE2-CG1 4.27Å; F935-I972 HydrophobicContact CZ-CG1 3.68Å
936	P	96.8	Very high	97.2	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.118	C	C	.	.			trans	-83.2	67.7	-174.7	33.5	-35.2	0	0	0	112.4	R882 M929 Q931 D938 Q939 V940	R882-P936 HydrophobicContact CB-CB 4.12Å; M929-P936 HydrophobicContact CG-CG 4.02Å; M929-P936 HydrophobicContact SD-CG 4.33Å; Q931-P936 WeakPolarHBondContact O-CD 3.3Å; P936-D938 VanDerWaalsContact C-N 3.3Å; P936-D938 PolarHBondContact O-N 3.34Å; P936-Q939 HydrophobicContact CB-CB 4.41Å; P936-Q939 PolarHBondContact O-N 3.47Å; P936-V940 HydrophobicContact CG-CG2 4.21Å; P936-V940 WeakPolarHBondContact O-CG2 3.4Å; P936-V940 PolarHBondContact O-N 2.8Å
937	F	96.4	Very high	97.1	Very high	5 Å²	5	24 Å²	24	2%	0.022	12%	0.118	C	C	.	.	H	α-helix	trans	-52.4	-44.2	-177.3	-73.2	-88.9	0	0	0	113.5	M809 P810 F935 K941 R971 T975	M809-F937 HydrophobicContact CE-CB 3.89Å; M809-F937 HydrophobicContact SD-CB 4.05Å; M809-F937 HydrophobicContact SD-CD1 3.68Å; M809-F937 HydrophobicContact SD-CG 4.18Å; P810-F937 HydrophobicContact CG-CB 3.91Å; P810-F937 HydrophobicContact CG-CD2 3.57Å; P810-F937 HydrophobicContact CG-CE2 4.24Å; P810-F937 HydrophobicContact CG-CG 3.8Å; F935-F937 VanDerWaalsContact C-N 3.3Å; F935-F937 HydrophobicContact CB-CD2 4.21Å; F935-F937 HydrophobicContact CB-CE2 3.84Å; F935-F937 HydrophobicContact CB-CZ 4.37Å; F935-F937 AromaticContact CD1-CD1 3.87Å; F935-F937 HydrophobicContact CD1-CD1 3.87Å; F935-F937 AromaticContact CD1-CD2 3.72Å; F935-F937 HydrophobicContact CD1-CD2 3.72Å; F935-F937 AromaticContact CD1-CE1 3.9Å; F935-F937 HydrophobicContact CD1-CE1 3.9Å; F935-F937 AromaticContact CD1-CE2 3.77Å; F935-F937 HydrophobicContact CD1-CE2 3.77Å; F935-F937 AromaticContact CD1-CG 3.76Å; F935-F937 HydrophobicContact CD1-CG 3.76Å; F935-F937 AromaticContact CD1-CZ 3.86Å; F935-F937 HydrophobicContact CD1-CZ 3.86Å; F935-F937 HydrophobicContact CE1-CD1 4.16Å; F935-F937 HydrophobicContact CE1-CE1 4.33Å; F935-F937 HydrophobicContact CE1-CG 4.34Å; F935-F937 HydrophobicContact CG-CD2 4.47Å; F935-F937 HydrophobicContact CG-CE2 4.27Å; F935-F937 HydrophobicContact CG-CZ 4.48Å; F935-F937 WeakPolarHBondContact O-CD2 3.46Å; F935-F937 PolarHBondContact O-N 3.41Å; F937-K941 VanDerWaalsContact O-CB 3.31Å; F937-K941 WeakPolarHBondContact O-CB 3.28Å; F937-K941 PolarHBondContact O-N 3.41Å; F937-R971 HydrophobicContact CE1-CB 4.28Å; F937-R971 HydrophobicContact CZ-CB 4.26Å; F937-R971 HydrophobicContact CZ-CG 4.17Å; F937-T975 WeakPolarHBondContact CD1-OG1 3.25Å; F937-T975 VanDerWaalsContact O-CG2 3.26Å; F937-T975 WeakPolarHBondContact O-CG2 3.38Å
938	D	96.3	Very high	96.8	Very high	45 Å²	45	27 Å²	27	24%	0.241	14%	0.137	C	C	.	.	H	α-helix	trans	-61.9	-46	-179.6	61.8	-47.4	0	0	0	112.5	L812 L816 R882 P936 K941 A942	L812-D938 HydrophobicContact CD2-CB 3.82Å; L816-D938 HydrophobicContact CD2-CB 3.9Å; R882-D938 IonicContact CZ-OD1 3.61Å; R882-D938 IonicContact CZ-OD2 3.3Å; R882-D938 IonicContact NH1-OD1 3.58Å; R882-D938 PolarHBondContact NH1-OD1 2.69Å; R882-D938 IonicContact NH1-OD2 2.73Å; R882-D938 VanDerWaalsContact NH2-CG 3.32Å; R882-D938 IonicContact NH2-OD1 2.66Å; R882-D938 PolarHBondContact NH2-OD1 3Å; R882-D938 VanDerWaalsContact NH2-OD1 3.15Å; R882-D938 IonicContact NH2-OD2 3.21Å; R882-D938 PolarHBondContact NH2-OD2 3.34Å; P936-D938 VanDerWaalsContact C-N 3.3Å; P936-D938 PolarHBondContact O-N 3.34Å; D938-K941 PolarHBondContact O-N 3.06Å; D938-A942 PolarHBondContact O-N 3.26Å; D938-A942 VanDerWaalsContact O-N 3.07Å
939	Q	97.1	Very high	96.5	Very high	57 Å²	57	31 Å²	31	27%	0.266	16%	0.16	S	C	.	.	H	α-helix	trans	-77.2	-34.8	-177.4	-60.2	-170.2	-19.8	0	0	112.1	L883 P936 K941 A942 E943	L883-Q939 HydrophobicContact CB-CB 3.92Å; L883-Q939 VanDerWaalsContact CB-OE1 3.29Å; L883-Q939 HydrophobicContact CD1-CB 4.33Å; P936-Q939 HydrophobicContact CB-CB 4.41Å; P936-Q939 PolarHBondContact O-N 3.47Å; Q939-K941 VanDerWaalsContact C-N 3.33Å; Q939-A942 PolarHBondContact O-N 3.12Å; Q939-E943 WeakPolarHBondContact O-CB 3.43Å; Q939-E943 PolarHBondContact O-N 3.44Å
940	V	97	Very high	96.3	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-65	-39.9	173.4	172.2	0	0	0	0	110.7	L883 F902 M929 F935 P936 F944 I972 T975	L883-V940 HydrophobicContact CD1-CG2 3.77Å; F902-V940 HydrophobicContact CZ-CG1 4.25Å; M929-V940 HydrophobicContact CE-CG2 3.6Å; F935-V940 HydrophobicContact CE1-CB 4.33Å; F935-V940 HydrophobicContact CE1-CG2 4.04Å; F935-V940 HydrophobicContact CZ-CB 4.42Å; F935-V940 HydrophobicContact CZ-CG1 4.35Å; F935-V940 HydrophobicContact CZ-CG2 3.83Å; P936-V940 HydrophobicContact CG-CG2 4.21Å; P936-V940 WeakPolarHBondContact O-CG2 3.4Å; P936-V940 PolarHBondContact O-N 2.8Å; V940-F944 VanDerWaalsContact O-CB 3.31Å; V940-F944 WeakPolarHBondContact O-CB 3.47Å; V940-F944 PolarHBondContact O-N 3.32Å; V940-I972 HydrophobicContact CG1-CG1 4.37Å; V940-T975 HydrophobicContact CB-CG2 4.22Å; V940-T975 HydrophobicContact CG1-CG2 4.03Å
941	K	96.2	Very high	96.2	Very high	69 Å²	69	33.5 Å²	33.5	30%	0.3	17%	0.174	S	C	.	.	H	α-helix	trans	-61.6	-50.6	175.1	-175.3	176.5	172.3	-177.2	0	111.1	M809 L812 F937 D938 Q939 E943 F944 E945 T975	M809-K941 HydrophobicContact CE-CD 4.34Å; L812-K941 HydrophobicContact CD1-CD 4.28Å; F937-K941 VanDerWaalsContact O-CB 3.31Å; F937-K941 WeakPolarHBondContact O-CB 3.28Å; F937-K941 PolarHBondContact O-N 3.41Å; D938-K941 PolarHBondContact O-N 3.06Å; Q939-K941 VanDerWaalsContact C-N 3.33Å; K941-E943 VanDerWaalsContact C-N 3.33Å; K941-E943 PolarHBondContact O-N 3.23Å; K941-F944 WeakPolarHBondContact O-CB 3.45Å; K941-F944 PolarHBondContact O-N 3.01Å; K941-E945 WeakPolarHBondContact CE-OE1 3.42Å; K941-E945 HydrophobicContact CG-CG 4.46Å; K941-E945 IonicContact NZ-OE1 2.81Å; K941-E945 WeakPolarHBondContact O-CG 3.5Å; K941-E945 PolarHBondContact O-N 3.15Å; K941-T975 HydrophobicContact CB-CG2 3.58Å; K941-T975 HydrophobicContact CG-CG2 4.43Å
942	A	96	Very high	96.1	Very high	57 Å²	57	33.6 Å²	33.6	47%	0.471	17%	0.174	S	C	.	.	H	α-helix	trans	-59.5	-43.1	179.8	0	0	0	0	0	112.1	D938 Q939 E945 R946	D938-A942 PolarHBondContact O-N 3.26Å; D938-A942 VanDerWaalsContact O-N 3.07Å; Q939-A942 PolarHBondContact O-N 3.12Å; A942-E945 PolarHBondContact O-N 3.1Å; A942-R946 WeakPolarHBondContact O-CB 3.47Å; A942-R946 PolarHBondContact O-N 2.89Å
943	E	96.3	Very high	96.1	Very high	10 Å²	10	33.7 Å²	33.7	5%	0.047	18%	0.175	C	C	.	.	H	α-helix	trans	-70	-35.3	179.1	-169.4	71.1	161.7	0	0	112.4	L883 P885 D886 L900 F902 S927 Q939 K941 R946 F947	L883-E943 HydrophobicContact CD2-CB 4.39Å; L883-E943 HydrophobicContact CD2-CG 4.46Å; P885-E943 VanDerWaalsContact CA-OE1 3.3Å; P885-E943 WeakPolarHBondContact CA-OE1 3.21Å; P885-E943 VanDerWaalsContact CB-CD 3.5Å; P885-E943 WeakPolarHBondContact CB-OE1 3.37Å; P885-E943 WeakPolarHBondContact CB-OE2 3.45Å; D886-E943 PolarHBondContact N-OE1 3.22Å; L900-E943 HydrophobicContact CD1-CG 4.39Å; L900-E943 HydrophobicContact CD2-CG 4.24Å; F902-E943 HydrophobicContact CE1-CB 4.41Å; F902-E943 HydrophobicContact CE1-CG 4.13Å; F902-E943 HydrophobicContact CZ-CB 4.46Å; F902-E943 HydrophobicContact CZ-CG 4.36Å; S927-E943 PolarHBondContact OG-OE1 3.33Å; Q939-E943 WeakPolarHBondContact O-CB 3.43Å; Q939-E943 PolarHBondContact O-N 3.44Å; K941-E943 VanDerWaalsContact C-N 3.33Å; K941-E943 PolarHBondContact O-N 3.23Å; E943-R946 WeakPolarHBondContact O-CB 3.05Å; E943-R946 PolarHBondContact O-N 2.95Å; E943-R946 IonicContact OE1-NH1 3.86Å; E943-R946 WeakPolarHBondContact OE2-CD 3.31Å; E943-R946 IonicContact OE2-NH1 3.44Å; E943-F947 HydrophobicContact CG-CE2 4.45Å; E943-F947 WeakPolarHBondContact O-CD2 3.4Å
944	F	95.4	Very high	96.1	Very high	32 Å²	32	33.7 Å²	33.7	14%	0.14	18%	0.175	C	C	.	.	H	α-helix	trans	-62.7	-48	171.8	166.5	-107.9	0	0	0	112	V940 K941 R946 F947 L952 I976 A979 K980	V940-F944 VanDerWaalsContact O-CB 3.31Å; V940-F944 WeakPolarHBondContact O-CB 3.47Å; V940-F944 PolarHBondContact O-N 3.32Å; K941-F944 WeakPolarHBondContact O-CB 3.45Å; K941-F944 PolarHBondContact O-N 3.01Å; F944-R946 PolarHBondContact O-N 3.15Å; F944-F947 PolarHBondContact O-N 3.15Å; F944-L952 HydrophobicContact CD2-CD1 3.75Å; F944-L952 HydrophobicContact CD2-CD2 4.02Å; F944-L952 HydrophobicContact CD2-CG 4.3Å; F944-L952 HydrophobicContact CE2-CD1 3.94Å; F944-L952 HydrophobicContact CE2-CG 4.45Å; F944-I976 HydrophobicContact CB-CG2 4.03Å; F944-I976 HydrophobicContact CD1-CB 4.12Å; F944-I976 HydrophobicContact CD1-CG2 3.6Å; F944-I976 HydrophobicContact CD2-CG2 3.88Å; F944-I976 HydrophobicContact CE1-CB 3.98Å; F944-I976 HydrophobicContact CE1-CG2 3.97Å; F944-I976 HydrophobicContact CE2-CB 4.48Å; F944-I976 HydrophobicContact CE2-CG2 4.22Å; F944-I976 HydrophobicContact CG-CB 4.42Å; F944-I976 HydrophobicContact CG-CG2 3.53Å; F944-I976 HydrophobicContact CZ-CB 4.17Å; F944-I976 HydrophobicContact CZ-CG2 4.27Å; F944-A979 HydrophobicContact CZ-CB 4.38Å; F944-K980 HydrophobicContact CE2-CD 3.98Å; F944-K980 HydrophobicContact CE2-CG 4.36Å
945	E	95.5	Very high	96.1	Very high	117 Å²	117	33.5 Å²	33.5	55%	0.547	17%	0.173	S	C	.	.	H	α-helix	trans	-65	-28	-179.4	-72.6	174.8	168.9	0	0	112.3	K941 A942 F947	K941-E945 WeakPolarHBondContact CE-OE1 3.42Å; K941-E945 HydrophobicContact CG-CG 4.46Å; K941-E945 IonicContact NZ-OE1 2.81Å; K941-E945 WeakPolarHBondContact O-CG 3.5Å; K941-E945 PolarHBondContact O-N 3.15Å; A942-E945 PolarHBondContact O-N 3.1Å; E945-F947 VanDerWaalsContact C-N 3.29Å; E945-F947 PolarHBondContact O-N 2.78Å
946	R	95.9	Very high	96.2	Very high	83 Å²	83	33.5 Å²	33.5	31%	0.313	17%	0.174	S	C	.	.	H	α-helix	trans	-62.3	-32.8	175.3	-171.4	179.4	-178.2	-162.7	1.3	113.2	D886 P894 A942 E943 F944 P948	D886-R946 PolarHBondContact O-NH1 2.92Å; D886-R946 PolarHBondContact O-NH2 2.9Å; P894-R946 HydrophobicContact CB-CG 4.42Å; P894-R946 WeakPolarHBondContact CB-O 3.31Å; A942-R946 WeakPolarHBondContact O-CB 3.47Å; A942-R946 PolarHBondContact O-N 2.89Å; E943-R946 WeakPolarHBondContact O-CB 3.05Å; E943-R946 PolarHBondContact O-N 2.95Å; E943-R946 IonicContact OE1-NH1 3.86Å; E943-R946 WeakPolarHBondContact OE2-CD 3.31Å; E943-R946 IonicContact OE2-NH1 3.44Å; F944-R946 PolarHBondContact O-N 3.15Å; R946-P948 VanDerWaalsContact C-CD 3.49Å; R946-P948 VanDerWaalsContact O-CD 3.25Å; R946-P948 WeakPolarHBondContact O-CD 3.48Å
947	F	96.1	Very high	96.2	Very high	1 Å²	1	34 Å²	34	0%	0.004	18%	0.176	C	C	.	.			trans	-118	71.8	-176.4	-57.9	-68.8	0	0	0	111.5	P894 V897 L900 A925 E943 F944 E945 N949 A950	P894-F947 HydrophobicContact CB-CD1 3.73Å; P894-F947 HydrophobicContact CB-CE1 3.86Å; P894-F947 HydrophobicContact CG-CE1 4.43Å; V897-F947 HydrophobicContact CB-CD1 3.65Å; V897-F947 HydrophobicContact CB-CE1 4.22Å; V897-F947 HydrophobicContact CB-CG 4.38Å; V897-F947 HydrophobicContact CG1-CD1 3.93Å; V897-F947 HydrophobicContact CG1-CE1 4.45Å; V897-F947 HydrophobicContact CG1-CG 4.29Å; V897-F947 HydrophobicContact CG2-CD1 3.57Å; V897-F947 HydrophobicContact CG2-CE1 3.62Å; L900-F947 HydrophobicContact CD1-CD2 3.93Å; L900-F947 HydrophobicContact CD1-CE2 4.07Å; L900-F947 HydrophobicContact CD2-CD2 4.08Å; L900-F947 HydrophobicContact CG-CD2 4.45Å; A925-F947 HydrophobicContact CB-CD2 4.31Å; A925-F947 HydrophobicContact CB-CE1 4.13Å; A925-F947 HydrophobicContact CB-CE2 3.81Å; A925-F947 HydrophobicContact CB-CZ 3.7Å; E943-F947 HydrophobicContact CG-CE2 4.45Å; E943-F947 WeakPolarHBondContact O-CD2 3.4Å; F944-F947 PolarHBondContact O-N 3.15Å; E945-F947 VanDerWaalsContact C-N 3.29Å; E945-F947 PolarHBondContact O-N 2.78Å; F947-N949 VanDerWaalsContact C-N 3.28Å; F947-N949 PolarHBondContact O-N 2.67Å; F947-A950 HydrophobicContact CB-CB 3.87Å; F947-A950 PolarHBondContact O-N 3.29Å; F947-A950 VanDerWaalsContact O-N 3.16Å
948	P	92.1	Very high	96.3	Very high	64 Å²	64	33.9 Å²	33.9	42%	0.416	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-29.6	-168.1	25.2	-35.5	0	0	0	113.9	R946 K980	R946-P948 VanDerWaalsContact C-CD 3.49Å; R946-P948 VanDerWaalsContact O-CD 3.25Å; R946-P948 WeakPolarHBondContact O-CD 3.48Å; P948-K980 PolarHBondContact O-NZ 3.16Å
949	N	92.8	Very high	96.4	Very high	106 Å²	106	32.2 Å²	32.2	57%	0.567	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-7.6	-177.9	-63.1	-34	0	0	0	113.9	D895 F947	D895-N949 PolarHBondContact O-ND2 3.01Å; F947-N949 VanDerWaalsContact C-N 3.28Å; F947-N949 PolarHBondContact O-N 2.67Å
950	A	95.1	Very high	96.5	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-82.5	138.2	-170.3	0	0	0	0	0	113.3	V897 K898 L900 F947 K980	V897-A950 HydrophobicContact CG1-CB 4.08Å; K898-A950 CarbonylContact O-C 3.45Å; K898-A950 VanDerWaalsContact O-CA 3.23Å; K898-A950 WeakPolarHBondContact O-CA 3.49Å; L900-A950 HydrophobicContact CB-CB 4.17Å; F947-A950 HydrophobicContact CB-CB 3.87Å; F947-A950 PolarHBondContact O-N 3.29Å; F947-A950 VanDerWaalsContact O-N 3.16Å; A950-K980 PolarHBondContact O-NZ 2.83Å
951	D	94.8	Very high	96.5	Very high	53 Å²	53	37.1 Å²	37.1	28%	0.283	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	150.7	160.9	30.7	-66.9	0	0	0	111.3	K898 R899 L900	K898-D951 PolarHBondContact O-N 2.79Å; R899-D951 WeakPolarHBondContact CA-O 3.42Å; R899-D951 IonicContact CZ-OD2 2.71Å; R899-D951 IonicContact NE-OD2 3.78Å; R899-D951 PolarHBondContact NE-OD2 3.18Å; R899-D951 IonicContact NH2-OD2 3.45Å; R899-D951 PolarHBondContact NH2-OD2 2.93Å; L900-D951 PolarHBondContact N-O 3.44Å
952	L	96.6	Very high	96.6	Very high	3 Å²	3	34.2 Å²	34.2	2%	0.016	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	129.3	-173.9	-59.9	-176.2	0	0	0	111.2	L900 F902 F944 I976 K980 G983	L900-L952 HydrophobicContact CB-CD2 3.93Å; L900-L952 HydrophobicContact CD2-CD2 3.84Å; L900-L952 HydrophobicContact CG-CD2 4.24Å; F902-L952 HydrophobicContact CE2-CD2 4.33Å; F944-L952 HydrophobicContact CD2-CD1 3.75Å; F944-L952 HydrophobicContact CD2-CD2 4.02Å; F944-L952 HydrophobicContact CD2-CG 4.3Å; F944-L952 HydrophobicContact CE2-CD1 3.94Å; F944-L952 HydrophobicContact CE2-CG 4.45Å; L952-I976 HydrophobicContact CD1-CD1 3.56Å; L952-K980 HydrophobicContact CD1-CB 4.43Å; L952-G983 PolarHBondContact O-N 3.17Å
953	V	98	Very high	96.7	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.006	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	132	176.2	176.2	0	0	0	0	109.7	R899 L900 I901 F902 A985 F1018	R899-V953 HydrophobicContact CG-CG2 4.13Å; L900-V953 PolarHBondContact O-N 2.89Å; I901-V953 CarbonylContact C-O 3.57Å; I901-V953 WeakPolarHBondContact CA-O 3.35Å; I901-V953 HydrophobicContact CG1-CB 4.37Å; F902-V953 PolarHBondContact N-O 3.38Å; V953-A985 HydrophobicContact CG1-CB 3.84Å; V953-F1018 HydrophobicContact CG1-CE2 4.26Å; V953-F1018 HydrophobicContact CG2-CD2 3.66Å; V953-F1018 HydrophobicContact CG2-CE2 3.55Å; V953-F1018 HydrophobicContact CG2-CZ 4.46Å
954	W	98.5	Very high	96.8	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	119.9	160.9	179	-96.6	0	0	0	108.7	F902 T904 M929 Y964 Y965 V968 I972 V982 G983 A985	F902-W954 HydrophobicContact CB-CE3 3.65Å; F902-W954 HydrophobicContact CB-CZ3 3.94Å; F902-W954 WeakPolarHBondContact O-CA 3.47Å; T904-W954 HydrophobicContact CG2-CH2 4.07Å; T904-W954 HydrophobicContact CG2-CZ2 3.97Å; M929-W954 HydrophobicContact CB-CZ3 4.48Å; M929-W954 HydrophobicContact CE-CZ3 4.19Å; M929-W954 HydrophobicContact SD-CZ3 4.4Å; W954-Y964 HydrophobicContact CZ2-CD2 4.1Å; W954-Y964 HydrophobicContact CZ2-CG 4.01Å; W954-Y965 HydrophobicContact CB-CD2 4.17Å; W954-Y965 HydrophobicContact CB-CE2 4.47Å; W954-Y965 AromaticContact CD1-CD2 3.71Å; W954-Y965 HydrophobicContact CG-CD2 4.14Å; W954-V968 HydrophobicContact CD2-CG2 3.48Å; W954-V968 VanDerWaalsContact CD2-CG2 3.48Å; W954-V968 HydrophobicContact CE3-CB 4.34Å; W954-V968 HydrophobicContact CE3-CG2 3.62Å; W954-V968 HydrophobicContact CG-CG2 3.98Å; W954-V968 HydrophobicContact CH2-CG1 3.98Å; W954-V968 HydrophobicContact CH2-CG2 4.17Å; W954-V968 HydrophobicContact CZ2-CG1 4.31Å; W954-V968 HydrophobicContact CZ2-CG2 4.06Å; W954-V968 HydrophobicContact CZ3-CB 4.28Å; W954-V968 HydrophobicContact CZ3-CG1 4.16Å; W954-V968 HydrophobicContact CZ3-CG2 3.96Å; W954-I972 HydrophobicContact CE3-CD1 4.25Å; W954-V982 HydrophobicContact CB-CG1 4.21Å; W954-G983 PolarHBondContact N-O 2.96Å; W954-A985 PolarHBondContact O-N 3.33Å
955	C	98.7	Very high	96.9	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	128	175.5	-170.1	0	0	0	0	111.2	I901 F902 C903 L911 A985	I901-C955 HydrophobicContact CG2-CB 3.52Å; F902-C955 PolarHBondContact O-N 3.05Å; C903-C955 WeakPolarHBondContact CA-O 3.24Å; C903-C955 WeakPolarHBondContact CB-O 3.32Å; L911-C955 HydrophobicContact CD1-CB 4.03Å; L911-C955 HydrophobicContact CD2-CB 4.4Å; C955-A985 VanDerWaalsContact CA-O 3.24Å; C955-A985 WeakPolarHBondContact CA-O 3.39Å; C955-A985 HydrophobicContact CB-CB 4.22Å
956	Q	98.6	Very high	97	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	158.4	176.9	77.1	177.9	39.5	0	0	111.3	E958 H959 Q962 Y964 Y984 A985 G986	Q956-E958 WeakPolarHBondContact CB-OE2 3.28Å; Q956-E958 PolarHBondContact NE2-O 3.44Å; Q956-E958 VanDerWaalsContact NE2-O 3.12Å; Q956-H959 PolarHBondContact NE2-O 2.71Å; Q956-Q962 PolarHBondContact NE2-O 3.3Å; Q956-Y964 HydrophobicContact CB-CD2 4.42Å; Q956-Y984 HydrophobicContact CG-CE2 4.11Å; Q956-A985 PolarHBondContact N-O 2.89Å; Q956-G986 VanDerWaalsContact O-CA 3.25Å; Q956-G986 WeakPolarHBondContact O-CA 3.28Å
957	E	98	Very high	97.1	Very high	9 Å²	9	26.7 Å²	26.7	4%	0.042	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	-22	176.5	61.1	179.6	-159.3	0	0	112.7	G782 M783 K906 V907 R987 F1008	G782-E957 VanDerWaalsContact CA-OE1 3.23Å; G782-E957 WeakPolarHBondContact CA-OE1 3.29Å; M783-E957 HydrophobicContact CB-CB 4.15Å; M783-E957 HydrophobicContact CB-CG 3.97Å; M783-E957 HydrophobicContact CG-CB 4.09Å; M783-E957 HydrophobicContact CG-CG 3.71Å; M783-E957 PolarHBondContact N-OE1 3.26Å; K906-E957 WeakPolarHBondContact CE-OE1 3.49Å; K906-E957 WeakPolarHBondContact CE-OE2 3.4Å; K906-E957 IonicContact NZ-OE1 3.56Å; K906-E957 IonicContact NZ-OE2 2.75Å; K906-E957 PolarHBondContact NZ-OE2 2.87Å; V907-E957 HydrophobicContact CB-CB 4.48Å; V907-E957 HydrophobicContact CG2-CB 4.3Å; E957-R987 VanDerWaalsContact O-CD 3.24Å; E957-R987 WeakPolarHBondContact O-CD 3.45Å; E957-R987 WeakPolarHBondContact O-CG 3.31Å; E957-R987 PolarHBondContact O-NH1 3.26Å; E957-F1008 HydrophobicContact CB-CE1 4.45Å; E957-F1008 HydrophobicContact CB-CZ 4.26Å
958	E	98.6	Very high	97.1	Very high	4 Å²	4	26.6 Å²	26.6	2%	0.019	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	157	179.4	-53.9	71	-153.2	0	0	111.6	H781 M783 Q956 Q962 Y964 Y984	H781-E958 IonicContact CE1-OE1 3.97Å; H781-E958 IonicContact NE2-OE1 3.57Å; H781-E958 PolarHBondContact NE2-OE1 2.79Å; M783-E958 HydrophobicContact CE-CB 4.2Å; M783-E958 HydrophobicContact CE-CG 3.91Å; Q956-E958 WeakPolarHBondContact CB-OE2 3.28Å; Q956-E958 PolarHBondContact NE2-O 3.44Å; Q956-E958 VanDerWaalsContact NE2-O 3.12Å; E958-Q962 HydrophobicContact CB-CB 4.29Å; E958-Y964 WeakPolarHBondContact OE2-CE2 3.19Å; E958-Y984 PolarHBondContact O-OH 3.3Å
959	H	98.3	Very high	97.4	Very high	9 Å²	9	26.4 Å²	26.4	4%	0.042	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	149.3	171.6	-64.8	93.4	0	0	0	111	Q956 N961 Q962 R987 D988 A990 P993	Q956-H959 PolarHBondContact NE2-O 2.71Å; H959-N961 PolarHBondContact O-N 3Å; H959-N961 VanDerWaalsContact O-N 3.13Å; H959-Q962 HydrophobicContact CB-CB 4.39Å; H959-Q962 HydrophobicContact CB-CG 4.29Å; H959-Q962 CarbonylContact O-C 3.39Å; H959-Q962 VanDerWaalsContact O-C 3.31Å; H959-Q962 WeakPolarHBondContact O-CA 3.31Å; H959-Q962 WeakPolarHBondContact O-CB 3.4Å; H959-Q962 PolarHBondContact O-N 2.98Å; H959-R987 HydrophobicContact CB-CB 4.46Å; H959-D988 WeakPolarHBondContact CA-O 3.49Å; H959-D988 WeakPolarHBondContact CB-O 3.47Å; H959-D988 PolarHBondContact CD2-O 3.25Å; H959-A990 HydrophobicContact CB-CB 4.26Å; H959-A990 WeakPolarHBondContact CD2-CB 3.48Å; H959-A990 WeakPolarHBondContact NE2-CB 3.46Å; H959-P993 PolarHBondContact CE1-O 2.94Å; H959-P993 PolarHBondContact ND1-O 3.27Å
960	K	97.9	Very high	97.6	Very high	86 Å²	86	23.2 Å²	23.2	37%	0.374	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-33.4	-173.6	-173.8	175.7	-178.2	178.6	0	115.1	Q962 Y965 Y984 R987 D988 P989	K960-Q962 VanDerWaalsContact C-N 3.26Å; K960-Y965 HydrophobicContact CG-CD1 4.28Å; K960-Y984 WeakPolarHBondContact CA-OH 3.5Å; K960-Y984 HydrophobicContact CB-CE1 3.74Å; K960-Y984 HydrophobicContact CB-CE2 4.33Å; K960-Y984 WeakPolarHBondContact CB-OH 3.43Å; K960-Y984 HydrophobicContact CD-CD1 3.98Å; K960-Y984 HydrophobicContact CD-CE1 3.88Å; K960-Y984 HydrophobicContact CG-CD1 4.19Å; K960-Y984 HydrophobicContact CG-CE1 3.78Å; K960-Y984 HydrophobicContact CG-CE2 4.14Å; K960-Y984 PolarHBondContact N-OH 3.12Å; K960-R987 PolarHBondContact N-O 2.9Å; K960-D988 PolarHBondContact N-O 3.43Å; K960-P989 HydrophobicContact CB-CG 4.07Å; K960-P989 HydrophobicContact CD-CG 4.4Å
961	N	97.7	Very high	97.7	Very high	75 Å²	75	23.9 Å²	23.9	40%	0.401	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	10.5	176.8	66.4	-48.4	0	0	0	113.4	H959 P989 A990	H959-N961 PolarHBondContact O-N 3Å; H959-N961 VanDerWaalsContact O-N 3.13Å; N961-P989 HydrophobicContact CB-CB 4.36Å; N961-P989 VanDerWaalsContact OD1-CA 3.28Å; N961-P989 WeakPolarHBondContact OD1-CA 3.35Å; N961-A990 PolarHBondContact ND2-O 3.49Å; N961-A990 PolarHBondContact OD1-N 2.73Å; N961-A990 PolarHBondContact OD1-O 2.93Å
962	Q	98.3	Very high	97.9	Very high	7 Å²	7	21.4 Å²	21.4	3%	0.033	11%	0.106	C	C	.	.	S	Bend	trans	-135.4	-177	-179.5	-59.1	175.7	28.8	0	0	108.3	E796 Q956 E958 H959 K960 Y964 A990 A992	E796-Q962 HydrophobicContact CG-CB 4.47Å; Q956-Q962 PolarHBondContact NE2-O 3.3Å; E958-Q962 HydrophobicContact CB-CB 4.29Å; H959-Q962 HydrophobicContact CB-CB 4.39Å; H959-Q962 HydrophobicContact CB-CG 4.29Å; H959-Q962 CarbonylContact O-C 3.39Å; H959-Q962 VanDerWaalsContact O-C 3.31Å; H959-Q962 WeakPolarHBondContact O-CA 3.31Å; H959-Q962 WeakPolarHBondContact O-CB 3.4Å; H959-Q962 PolarHBondContact O-N 2.98Å; K960-Q962 VanDerWaalsContact C-N 3.26Å; Q962-Y964 PolarHBondContact O-N 3.47Å; Q962-A990 PolarHBondContact NE2-O 3.45Å; Q962-A992 PolarHBondContact NE2-O 2.95Å
963	G	97.5	Very high	97.9	Very high	3 Å²	3	25.3 Å²	25.3	3%	0.031	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.6	-129.2	177.3	0	0	0	0	0	111	E796	E796-G963 VanDerWaalsContact CA-O 3.24Å; E796-G963 WeakPolarHBondContact CA-O 3.31Å; E796-G963 WeakPolarHBondContact CB-O 3.38Å; E796-G963 PolarHBondContact N-O 3.1Å; E796-G963 PolarHBondContact OE2-N 2.91Å
964	Y	98.2	Very high	97.8	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.008	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.1	-21.3	-161.2	-50.9	-67.2	0	0	0	113	H781 P795 L799 N830 F856 T904 L932 W954 Q956 E958 Q962 D966 Y967 V968	H781-Y964 PolarHBondContact CD2-OH 3.22Å; H781-Y964 PolarHBondContact NE2-OH 3.21Å; P795-Y964 HydrophobicContact CB-CD1 3.89Å; P795-Y964 HydrophobicContact CB-CE1 3.23Å; P795-Y964 HydrophobicContact CG-CD1 4.15Å; P795-Y964 HydrophobicContact CG-CE1 3.56Å; P795-Y964 HydrophobicContact CG-CE2 4.4Å; L799-Y964 HydrophobicContact CD1-CD1 3.68Å; L799-Y964 HydrophobicContact CD1-CE1 4.46Å; N830-Y964 PolarHBondContact ND2-OH 2.96Å; F856-Y964 HydrophobicContact CD2-CE1 4.38Å; F856-Y964 HydrophobicContact CE2-CE1 4.29Å; T904-Y964 HydrophobicContact CG2-CD1 4.3Å; T904-Y964 HydrophobicContact CG2-CD2 3.34Å; T904-Y964 HydrophobicContact CG2-CE1 4.21Å; T904-Y964 HydrophobicContact CG2-CE2 3.28Å; T904-Y964 HydrophobicContact CG2-CG 3.86Å; L932-Y964 HydrophobicContact CD1-CD1 3.04Å; L932-Y964 HydrophobicContact CD1-CE1 3.29Å; L932-Y964 HydrophobicContact CD1-CG 3.85Å; W954-Y964 HydrophobicContact CZ2-CD2 4.1Å; W954-Y964 HydrophobicContact CZ2-CG 4.01Å; Q956-Y964 HydrophobicContact CB-CD2 4.42Å; E958-Y964 WeakPolarHBondContact OE2-CE2 3.19Å; Q962-Y964 PolarHBondContact O-N 3.47Å; Y964-D966 PolarHBondContact O-N 2.89Å; Y964-Y967 PolarHBondContact O-N 3.46Å; Y964-Y967 VanDerWaalsContact O-N 3.08Å; Y964-V968 WeakPolarHBondContact O-CG2 3.31Å; Y964-V968 PolarHBondContact O-N 2.88Å
965	Y	97.6	Very high	97.7	Very high	12 Å²	12	27 Å²	27	5%	0.047	13%	0.131	C	C	.	.	H	α-helix	trans	-53.6	-50.6	-166.8	-179.3	-115.3	0	0	0	113.8	W954 K960 Y967 V968 K969 Y984	W954-Y965 HydrophobicContact CB-CD2 4.17Å; W954-Y965 HydrophobicContact CB-CE2 4.47Å; W954-Y965 AromaticContact CD1-CD2 3.71Å; W954-Y965 HydrophobicContact CG-CD2 4.14Å; K960-Y965 HydrophobicContact CG-CD1 4.28Å; Y965-Y967 PolarHBondContact O-N 2.97Å; Y965-V968 PolarHBondContact O-N 3.31Å; Y965-K969 HydrophobicContact CD2-CB 4.34Å; Y965-K969 HydrophobicContact CE1-CD 3.98Å; Y965-K969 HydrophobicContact CE2-CB 4.15Å; Y965-K969 HydrophobicContact CE2-CD 4.09Å; Y965-K969 HydrophobicContact CE2-CG 4.3Å; Y965-K969 WeakPolarHBondContact O-CB 3.45Å; Y965-K969 PolarHBondContact O-N 2.96Å; Y965-K969 WeakPolarHBondContact OH-CD 3.46Å; Y965-K969 WeakPolarHBondContact OH-CE 3.4Å; Y965-K969 PolarHBondContact OH-NZ 3.19Å; Y965-Y984 AromaticContact CD1-CD2 3.9Å; Y965-Y984 HydrophobicContact CD1-CD2 3.9Å; Y965-Y984 HydrophobicContact CD1-CE2 4.27Å; Y965-Y984 AromaticContact CD2-CD2 3.44Å; Y965-Y984 HydrophobicContact CD2-CD2 3.44Å; Y965-Y984 VanDerWaalsContact CD2-CD2 3.44Å; Y965-Y984 HydrophobicContact CD2-CE2 4.16Å; Y965-Y984 HydrophobicContact CD2-CG 4.36Å; Y965-Y984 HydrophobicContact CE1-CD2 4.11Å; Y965-Y984 HydrophobicContact CE1-CG 4.39Å; Y965-Y984 AromaticContact CE2-CD2 3.66Å; Y965-Y984 HydrophobicContact CE2-CD2 3.66Å; Y965-Y984 HydrophobicContact CE2-CG 4.14Å; Y965-Y984 AromaticContact CG-CD2 3.54Å; Y965-Y984 HydrophobicContact CG-CD2 3.54Å; Y965-Y984 AromaticContact CG-CE2 3.88Å; Y965-Y984 HydrophobicContact CG-CE2 3.88Å; Y965-Y984 AromaticContact CZ-CD2 3.98Å
966	D	96.9	Very high	97.5	Very high	106 Å²	106	27.4 Å²	27.4	57%	0.567	13%	0.133	S	C	*	.	H	α-helix	trans	-68.2	-24.3	-176.1	-72.1	-24.1	0	0	0	112.8	Y964 P970	Y964-D966 PolarHBondContact O-N 2.89Å; D966-P970 WeakPolarHBondContact O-CD 3.41Å
967	Y	98.1	Very high	97.3	Very high	18 Å²	18	34.2 Å²	34.2	7%	0.071	17%	0.169	C	C	.	.	H	α-helix	trans	-81.2	-48.4	174.4	175.5	-87.5	0	0	0	112.1	L799 C802 D804 L932 S933 F935 Y964 Y965 P970 R971	L799-Y967 HydrophobicContact CB-CD1 4.46Å; L799-Y967 HydrophobicContact CB-CD2 3.61Å; L799-Y967 HydrophobicContact CB-CE2 4.21Å; L799-Y967 HydrophobicContact CB-CG 3.74Å; L799-Y967 HydrophobicContact CD1-CD1 3.98Å; L799-Y967 HydrophobicContact CD1-CG 3.92Å; L799-Y967 HydrophobicContact CD2-CD1 3.91Å; L799-Y967 HydrophobicContact CD2-CD2 4.06Å; L799-Y967 HydrophobicContact CD2-CE1 3.84Å; L799-Y967 HydrophobicContact CD2-CE2 3.95Å; L799-Y967 HydrophobicContact CD2-CG 4.02Å; L799-Y967 HydrophobicContact CG-CD1 4.36Å; L799-Y967 HydrophobicContact CG-CD2 4.28Å; L799-Y967 HydrophobicContact CG-CG 4.11Å; L799-Y967 VanDerWaalsContact O-CD2 3.29Å; L799-Y967 WeakPolarHBondContact O-CD2 3.25Å; L799-Y967 WeakPolarHBondContact O-CE2 3.16Å; C802-Y967 HydrophobicContact CB-CE2 3.9Å; D804-Y967 PolarHBondContact OD1-OH 3.06Å; D804-Y967 PolarHBondContact OD2-OH 3.31Å; L932-Y967 WeakPolarHBondContact O-CE1 3.45Å; L932-Y967 PolarHBondContact O-OH 3.16Å; L932-Y967 VanDerWaalsContact O-OH 3.11Å; S933-Y967 WeakPolarHBondContact CB-OH 3.49Å; S933-Y967 PolarHBondContact OG-OH 3.26Å; F935-Y967 HydrophobicContact CD2-CE1 4.35Å; Y964-Y967 PolarHBondContact O-N 3.46Å; Y964-Y967 VanDerWaalsContact O-N 3.08Å; Y965-Y967 PolarHBondContact O-N 2.97Å; Y967-P970 WeakPolarHBondContact O-CD 3.32Å; Y967-R971 VanDerWaalsContact CD2-CZ 3.49Å; Y967-R971 VanDerWaalsContact CZ-CZ 3.5Å; Y967-R971 VanDerWaalsContact CZ-NE 3.27Å; Y967-R971 WeakPolarHBondContact O-CD 3.47Å; Y967-R971 PolarHBondContact O-NH1 3.26Å
968	V	97.9	Very high	97	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-78.2	-35	-172.9	-59.6	0	0	0	0	113	M929 F935 W954 Y964 Y965 R971 I972	M929-V968 HydrophobicContact SD-CG1 4.28Å; F935-V968 HydrophobicContact CE2-CB 4.25Å; F935-V968 HydrophobicContact CE2-CG1 4.34Å; W954-V968 HydrophobicContact CD2-CG2 3.48Å; W954-V968 VanDerWaalsContact CD2-CG2 3.48Å; W954-V968 HydrophobicContact CE3-CB 4.34Å; W954-V968 HydrophobicContact CE3-CG2 3.62Å; W954-V968 HydrophobicContact CG-CG2 3.98Å; W954-V968 HydrophobicContact CH2-CG1 3.98Å; W954-V968 HydrophobicContact CH2-CG2 4.17Å; W954-V968 HydrophobicContact CZ2-CG1 4.31Å; W954-V968 HydrophobicContact CZ2-CG2 4.06Å; W954-V968 HydrophobicContact CZ3-CB 4.28Å; W954-V968 HydrophobicContact CZ3-CG1 4.16Å; W954-V968 HydrophobicContact CZ3-CG2 3.96Å; Y964-V968 WeakPolarHBondContact O-CG2 3.31Å; Y964-V968 PolarHBondContact O-N 2.88Å; Y965-V968 PolarHBondContact O-N 3.31Å; V968-R971 PolarHBondContact O-N 2.82Å; V968-I972 HydrophobicContact CB-CD1 4.25Å; V968-I972 HydrophobicContact CG2-CD1 4.33Å; V968-I972 VanDerWaalsContact O-CG1 3.31Å; V968-I972 WeakPolarHBondContact O-CG1 3.43Å; V968-I972 PolarHBondContact O-N 3.36Å
969	K	97.1	Very high	96.6	Very high	60 Å²	60	43 Å²	43	26%	0.261	22%	0.22	S	C	.	.	H	α-helix	trans	-55	-53.7	-176.4	178.2	-166.1	-171.9	167.1	0	113.3	Y965 R971 I972 R973	Y965-K969 HydrophobicContact CD2-CB 4.34Å; Y965-K969 HydrophobicContact CE1-CD 3.98Å; Y965-K969 HydrophobicContact CE2-CB 4.15Å; Y965-K969 HydrophobicContact CE2-CD 4.09Å; Y965-K969 HydrophobicContact CE2-CG 4.3Å; Y965-K969 WeakPolarHBondContact O-CB 3.45Å; Y965-K969 PolarHBondContact O-N 2.96Å; Y965-K969 WeakPolarHBondContact OH-CD 3.46Å; Y965-K969 WeakPolarHBondContact OH-CE 3.4Å; Y965-K969 PolarHBondContact OH-NZ 3.19Å; K969-R971 VanDerWaalsContact C-N 3.31Å; K969-R971 PolarHBondContact O-N 3.05Å; K969-I972 PolarHBondContact O-N 3.4Å; K969-R973 WeakPolarHBondContact O-CG 3.42Å; K969-R973 PolarHBondContact O-N 3.2Å
970	P	97.3	Very high	96.2	Very high	38 Å²	38	45.3 Å²	45.3	25%	0.247	23%	0.23	C	C	.	.	H	α-helix	trans	-64.8	-38.2	-178.4	27.6	-36.3	0	0	0	111.4	P806 D966 Y967 R973 T974	P806-P970 HydrophobicContact CB-CB 3.99Å; P806-P970 HydrophobicContact CB-CG 3.98Å; D966-P970 WeakPolarHBondContact O-CD 3.41Å; Y967-P970 WeakPolarHBondContact O-CD 3.32Å; P970-R973 WeakPolarHBondContact O-CB 3.48Å; P970-R973 PolarHBondContact O-N 3.25Å; P970-T974 PolarHBondContact O-N 3.31Å; P970-T974 PolarHBondContact O-OG1 2.89Å; P970-T974 VanDerWaalsContact O-OG1 3.13Å
971	R	97.6	Very high	95.9	Very high	15 Å²	15	45.6 Å²	45.6	6%	0.057	24%	0.236	C	C	.	.	H	α-helix	trans	-63.4	-46.7	177.4	-68.2	167	174.5	70.3	5.3	112.7	D804 P806 F935 F937 Y967 V968 K969 R973 T974 T975	D804-R971 PolarHBondContact O-NH2 3.3Å; D804-R971 IonicContact OD1-CZ 3.62Å; D804-R971 IonicContact OD1-NE 3.87Å; D804-R971 IonicContact OD1-NH2 3.26Å; D804-R971 PolarHBondContact OD1-NH2 3.07Å; D804-R971 IonicContact OD2-CZ 3.68Å; D804-R971 IonicContact OD2-NE 2.82Å; D804-R971 PolarHBondContact OD2-NE 3.29Å; D804-R971 IonicContact OD2-NH2 3.28Å; D804-R971 PolarHBondContact OD2-NH2 2.79Å; D804-R971 VanDerWaalsContact OD2-NH2 3.11Å; P806-R971 HydrophobicContact CB-CG 3.96Å; F935-R971 HydrophobicContact CD1-CB 3.78Å; F935-R971 HydrophobicContact CD2-CB 3.98Å; F935-R971 HydrophobicContact CE1-CB 3.79Å; F935-R971 HydrophobicContact CE2-CB 3.97Å; F935-R971 HydrophobicContact CG-CB 3.89Å; F935-R971 HydrophobicContact CG-CG 4.3Å; F935-R971 HydrophobicContact CZ-CB 3.88Å; F937-R971 HydrophobicContact CE1-CB 4.28Å; F937-R971 HydrophobicContact CZ-CB 4.26Å; F937-R971 HydrophobicContact CZ-CG 4.17Å; Y967-R971 VanDerWaalsContact CD2-CZ 3.49Å; Y967-R971 VanDerWaalsContact CZ-CZ 3.5Å; Y967-R971 VanDerWaalsContact CZ-NE 3.27Å; Y967-R971 WeakPolarHBondContact O-CD 3.47Å; Y967-R971 PolarHBondContact O-NH1 3.26Å; V968-R971 PolarHBondContact O-N 2.82Å; K969-R971 VanDerWaalsContact C-N 3.31Å; K969-R971 PolarHBondContact O-N 3.05Å; R971-R973 VanDerWaalsContact C-N 3.29Å; R971-R973 PolarHBondContact O-N 2.9Å; R971-T974 WeakPolarHBondContact O-CB 3.4Å; R971-T974 PolarHBondContact O-N 3.36Å; R971-T975 PolarHBondContact O-N 2.75Å; R971-T975 PolarHBondContact O-OG1 2.91Å
972	I	97.6	Very high	95.8	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-57.2	-45.6	173.2	-67.6	168.8	0	0	0	110.1	F902 F935 V940 W954 V968 K969 T974 T975 I976 V982	F902-I972 HydrophobicContact CD2-CD1 4.47Å; F935-I972 HydrophobicContact CE2-CG1 4.27Å; F935-I972 HydrophobicContact CZ-CG1 3.68Å; V940-I972 HydrophobicContact CG1-CG1 4.37Å; W954-I972 HydrophobicContact CE3-CD1 4.25Å; V968-I972 HydrophobicContact CB-CD1 4.25Å; V968-I972 HydrophobicContact CG2-CD1 4.33Å; V968-I972 VanDerWaalsContact O-CG1 3.31Å; V968-I972 WeakPolarHBondContact O-CG1 3.43Å; V968-I972 PolarHBondContact O-N 3.36Å; K969-I972 PolarHBondContact O-N 3.4Å; I972-T974 VanDerWaalsContact C-N 3.31Å; I972-T974 PolarHBondContact O-N 3.1Å; I972-T975 WeakPolarHBondContact O-CB 3.45Å; I972-T975 PolarHBondContact O-N 3.47Å; I972-I976 HydrophobicContact CG2-CD1 4.47Å; I972-I976 WeakPolarHBondContact O-CG1 3.28Å; I972-I976 PolarHBondContact O-N 2.94Å; I972-I976 VanDerWaalsContact O-N 3.08Å; I972-V982 HydrophobicContact CB-CG2 4.27Å; I972-V982 HydrophobicContact CG2-CG2 3.62Å
973	R	96.9	Very high	95.7	Very high	85 Å²	85	42.1 Å²	42.1	32%	0.321	22%	0.219	S	C	.	.	H	α-helix	trans	-60.9	-39.9	178.7	-75.3	-177.8	66	131.3	3.1	112	K969 P970 R971 N977 K978 V982	K969-R973 WeakPolarHBondContact O-CG 3.42Å; K969-R973 PolarHBondContact O-N 3.2Å; P970-R973 WeakPolarHBondContact O-CB 3.48Å; P970-R973 PolarHBondContact O-N 3.25Å; R971-R973 VanDerWaalsContact C-N 3.29Å; R971-R973 PolarHBondContact O-N 2.9Å; R973-N977 PolarHBondContact O-N 3.37Å; R973-K978 HydrophobicContact CB-CG 4.39Å; R973-K978 PolarHBondContact O-N 3.14Å; R973-V982 HydrophobicContact CG-CG2 4.06Å
974	T	96.6	Very high	95.7	Very high	24 Å²	24	43.5 Å²	43.5	15%	0.147	22%	0.224	C	C	.	.	H	α-helix	trans	-64.8	-47.7	174.6	-62.1	0	0	0	0	111	P806 P970 R971 I972 I976 N977	P806-T974 VanDerWaalsContact O-CB 3.29Å; P806-T974 WeakPolarHBondContact O-CB 3.43Å; P806-T974 PolarHBondContact O-OG1 2.79Å; P970-T974 PolarHBondContact O-N 3.31Å; P970-T974 PolarHBondContact O-OG1 2.89Å; P970-T974 VanDerWaalsContact O-OG1 3.13Å; R971-T974 WeakPolarHBondContact O-CB 3.4Å; R971-T974 PolarHBondContact O-N 3.36Å; I972-T974 VanDerWaalsContact C-N 3.31Å; I972-T974 PolarHBondContact O-N 3.1Å; T974-I976 VanDerWaalsContact C-N 3.27Å; T974-I976 PolarHBondContact O-N 3.04Å; T974-N977 PolarHBondContact O-N 2.8Å
975	T	96.3	Very high	95.7	Very high	11 Å²	11	43.4 Å²	43.4	7%	0.067	22%	0.223	C	C	.	.	H	α-helix	trans	-53.5	-42.5	178.1	-55.5	0	0	0	0	113	F937 V940 K941 R971 I972 N977	F937-T975 WeakPolarHBondContact CD1-OG1 3.25Å; F937-T975 VanDerWaalsContact O-CG2 3.26Å; F937-T975 WeakPolarHBondContact O-CG2 3.38Å; V940-T975 HydrophobicContact CB-CG2 4.22Å; V940-T975 HydrophobicContact CG1-CG2 4.03Å; K941-T975 HydrophobicContact CB-CG2 3.58Å; K941-T975 HydrophobicContact CG-CG2 4.43Å; R971-T975 PolarHBondContact O-N 2.75Å; R971-T975 PolarHBondContact O-OG1 2.91Å; I972-T975 WeakPolarHBondContact O-CB 3.45Å; I972-T975 PolarHBondContact O-N 3.47Å; T975-N977 VanDerWaalsContact C-N 3.32Å
976	I	94.6	Very high	95.7	Very high	9 Å²	9	43.3 Å²	43.3	5%	0.046	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	12.7	-177.5	72.5	-177.1	0	0	0	113	F944 L952 I972 T974 K978 A979 K980	F944-I976 HydrophobicContact CB-CG2 4.03Å; F944-I976 HydrophobicContact CD1-CB 4.12Å; F944-I976 HydrophobicContact CD1-CG2 3.6Å; F944-I976 HydrophobicContact CD2-CG2 3.88Å; F944-I976 HydrophobicContact CE1-CB 3.98Å; F944-I976 HydrophobicContact CE1-CG2 3.97Å; F944-I976 HydrophobicContact CE2-CB 4.48Å; F944-I976 HydrophobicContact CE2-CG2 4.22Å; F944-I976 HydrophobicContact CG-CB 4.42Å; F944-I976 HydrophobicContact CG-CG2 3.53Å; F944-I976 HydrophobicContact CZ-CB 4.17Å; F944-I976 HydrophobicContact CZ-CG2 4.27Å; L952-I976 HydrophobicContact CD1-CD1 3.56Å; I972-I976 HydrophobicContact CG2-CD1 4.47Å; I972-I976 WeakPolarHBondContact O-CG1 3.28Å; I972-I976 PolarHBondContact O-N 2.94Å; I972-I976 VanDerWaalsContact O-N 3.08Å; T974-I976 VanDerWaalsContact C-N 3.27Å; T974-I976 PolarHBondContact O-N 3.04Å; I976-K978 PolarHBondContact O-N 3.44Å; I976-K978 VanDerWaalsContact O-N 3.12Å; I976-A979 WeakPolarHBondContact O-CB 3.49Å; I976-A979 PolarHBondContact O-N 2.88Å; I976-K980 HydrophobicContact CD1-CB 4.31Å
977	N	94.1	Very high	95.7	Very high	144 Å²	144	38.4 Å²	38.4	77%	0.77	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.9	39.9	-175.6	-167.8	30.1	0	0	0	113.3	R973 T974 T975 A979	R973-N977 PolarHBondContact O-N 3.37Å; T974-N977 PolarHBondContact O-N 2.8Å; T975-N977 VanDerWaalsContact C-N 3.32Å; N977-A979 PolarHBondContact O-N 3.14Å
978	K	91.4	Very high	95.7	Very high	128 Å²	128	41.6 Å²	41.6	56%	0.557	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.2	22.5	-178.8	-56.5	172.8	-176.7	174.6	0	113.7	R973 I976 K980	R973-K978 HydrophobicContact CB-CG 4.39Å; R973-K978 PolarHBondContact O-N 3.14Å; I976-K978 PolarHBondContact O-N 3.44Å; I976-K978 VanDerWaalsContact O-N 3.12Å; K978-K980 VanDerWaalsContact C-N 3.28Å; K978-K980 PolarHBondContact O-N 3.07Å
979	A	90.8	Very high	95.7	Very high	70 Å²	70	45.7 Å²	45.7	58%	0.579	25%	0.245	S	C	*	.			trans	-62.3	-30.7	-176.3	0	0	0	0	0	114	F944 I976 N977	F944-A979 HydrophobicContact CZ-CB 4.38Å; I976-A979 WeakPolarHBondContact O-CB 3.49Å; I976-A979 PolarHBondContact O-N 2.88Å; N977-A979 PolarHBondContact O-N 3.14Å
980	K	90.2	Very high	95.7	Very high	57 Å²	57	44.2 Å²	44.2	25%	0.248	24%	0.243	C	C	.	.	S	Bend	trans	-135.7	157.6	177.1	-62.1	-170.8	-173.7	168.5	0	111.1	F944 P948 A950 L952 I976 K978	F944-K980 HydrophobicContact CE2-CD 3.98Å; F944-K980 HydrophobicContact CE2-CG 4.36Å; P948-K980 PolarHBondContact O-NZ 3.16Å; A950-K980 PolarHBondContact O-NZ 2.83Å; L952-K980 HydrophobicContact CD1-CB 4.43Å; I976-K980 HydrophobicContact CD1-CB 4.31Å; K978-K980 VanDerWaalsContact C-N 3.28Å; K978-K980 PolarHBondContact O-N 3.07Å
981	N	91.4	Very high	95.6	Very high	92 Å²	92	47.4 Å²	47.4	49%	0.492	27%	0.273	S	S	.	.			trans	-74.7	152.7	168.6	-167.1	22.7	0	0	0	110.6
982	V	95.2	Very high	95.6	Very high	3 Å²	3	48.8 Å²	48.8	2%	0.018	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	102.9	174.9	-175.5	0	0	0	0	108	W954 I972 R973	W954-V982 HydrophobicContact CB-CG1 4.21Å; I972-V982 HydrophobicContact CB-CG2 4.27Å; I972-V982 HydrophobicContact CG2-CG2 3.62Å; R973-V982 HydrophobicContact CG-CG2 4.06Å
983	G	96	Very high	95.6	Very high	6 Å²	6	48.9 Å²	48.9	6%	0.062	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	151.2	175.8	0	0	0	0	0	111.9	L952 W954	L952-G983 PolarHBondContact O-N 3.17Å; W954-G983 PolarHBondContact N-O 2.96Å
984	Y	97.6	Very high	95.7	Very high	32 Å²	32	45.2 Å²	45.2	13%	0.125	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	122.5	177.4	175.2	-104.1	0	0	0	110.1	Q956 E958 K960 Y965 G986 R987 F1018	Q956-Y984 HydrophobicContact CG-CE2 4.11Å; E958-Y984 PolarHBondContact O-OH 3.3Å; K960-Y984 WeakPolarHBondContact CA-OH 3.5Å; K960-Y984 HydrophobicContact CB-CE1 3.74Å; K960-Y984 HydrophobicContact CB-CE2 4.33Å; K960-Y984 WeakPolarHBondContact CB-OH 3.43Å; K960-Y984 HydrophobicContact CD-CD1 3.98Å; K960-Y984 HydrophobicContact CD-CE1 3.88Å; K960-Y984 HydrophobicContact CG-CD1 4.19Å; K960-Y984 HydrophobicContact CG-CE1 3.78Å; K960-Y984 HydrophobicContact CG-CE2 4.14Å; K960-Y984 PolarHBondContact N-OH 3.12Å; Y965-Y984 AromaticContact CD1-CD2 3.9Å; Y965-Y984 HydrophobicContact CD1-CD2 3.9Å; Y965-Y984 HydrophobicContact CD1-CE2 4.27Å; Y965-Y984 AromaticContact CD2-CD2 3.44Å; Y965-Y984 HydrophobicContact CD2-CD2 3.44Å; Y965-Y984 VanDerWaalsContact CD2-CD2 3.44Å; Y965-Y984 HydrophobicContact CD2-CE2 4.16Å; Y965-Y984 HydrophobicContact CD2-CG 4.36Å; Y965-Y984 HydrophobicContact CE1-CD2 4.11Å; Y965-Y984 HydrophobicContact CE1-CG 4.39Å; Y965-Y984 AromaticContact CE2-CD2 3.66Å; Y965-Y984 HydrophobicContact CE2-CD2 3.66Å; Y965-Y984 HydrophobicContact CE2-CG 4.14Å; Y965-Y984 AromaticContact CG-CD2 3.54Å; Y965-Y984 HydrophobicContact CG-CD2 3.54Å; Y965-Y984 AromaticContact CG-CE2 3.88Å; Y965-Y984 HydrophobicContact CG-CE2 3.88Å; Y965-Y984 AromaticContact CZ-CD2 3.98Å; Y984-G986 WeakPolarHBondContact OH-CA 3.47Å; Y984-R987 PolarHBondContact OH-N 3.36Å; Y984-R987 PolarHBondContact OH-O 3.26Å; Y984-F1018 WeakPolarHBondContact O-CZ 3.49Å
985	A	98.1	Very high	95.7	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	112.9	167.1	0	0	0	0	0	109.2	V953 W954 C955 Q956 T1011 A1012	V953-A985 HydrophobicContact CG1-CB 3.84Å; W954-A985 PolarHBondContact O-N 3.33Å; C955-A985 VanDerWaalsContact CA-O 3.24Å; C955-A985 WeakPolarHBondContact CA-O 3.39Å; C955-A985 HydrophobicContact CB-CB 4.22Å; Q956-A985 PolarHBondContact N-O 2.89Å; A985-T1011 HydrophobicContact CB-CG2 4.37Å; A985-A1012 HydrophobicContact CB-CB 3.82Å
986	G	97.3	Very high	95.7	Very high	10 Å²	10	48.1 Å²	48.1	10%	0.103	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179	-168.7	177.6	0	0	0	0	0	112.1	Q956 Y984 F1008	Q956-G986 VanDerWaalsContact O-CA 3.25Å; Q956-G986 WeakPolarHBondContact O-CA 3.28Å; Y984-G986 WeakPolarHBondContact OH-CA 3.47Å; G986-F1008 WeakPolarHBondContact O-CB 3.36Å
987	R	98.3	Very high	95.8	Very high	3 Å²	3	51.6 Å²	51.6	1%	0.011	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	154.2	177.6	-69.2	-174.9	166.1	79.5	9.8	111	E957 H959 K960 Y984 H1001 E1004 F1008	E957-R987 VanDerWaalsContact O-CD 3.24Å; E957-R987 WeakPolarHBondContact O-CD 3.45Å; E957-R987 WeakPolarHBondContact O-CG 3.31Å; E957-R987 PolarHBondContact O-NH1 3.26Å; H959-R987 HydrophobicContact CB-CB 4.46Å; K960-R987 PolarHBondContact N-O 2.9Å; Y984-R987 PolarHBondContact OH-N 3.36Å; Y984-R987 PolarHBondContact OH-O 3.26Å; R987-H1001 PolarHBondContact NH2-CE1 3.02Å; R987-H1001 PolarHBondContact NH2-ND1 3.21Å; R987-H1001 PolarHBondContact NH2-O 3.21Å; R987-H1001 VanDerWaalsContact NH2-O 3.15Å; R987-E1004 WeakPolarHBondContact CD-OE2 3.38Å; R987-E1004 HydrophobicContact CG-CB 4.08Å; R987-E1004 IonicContact CZ-OE2 3.66Å; R987-E1004 IonicContact NE-OE2 3.22Å; R987-E1004 PolarHBondContact NE-OE2 3.31Å; R987-F1008 HydrophobicContact CG-CD1 4.33Å
988	D	97.1	Very high	95.9	Very high	85 Å²	85	51.6 Å²	51.6	46%	0.455	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-62.9	169.9	175.1	-72.9	-28.2	0	0	0	111	H959 K960 R1007	H959-D988 WeakPolarHBondContact CA-O 3.49Å; H959-D988 WeakPolarHBondContact CB-O 3.47Å; H959-D988 PolarHBondContact CD2-O 3.25Å; K960-D988 PolarHBondContact N-O 3.43Å; D988-R1007 IonicContact OD1-CZ 3.67Å; D988-R1007 IonicContact OD1-NH1 3.48Å; D988-R1007 IonicContact OD1-NH2 2.68Å; D988-R1007 IonicContact OD2-CZ 3.9Å; D988-R1007 IonicContact OD2-NH1 2.85Å; D988-R1007 PolarHBondContact OD2-NH1 3.38Å; D988-R1007 IonicContact OD2-NH2 3.31Å; D988-R1007 PolarHBondContact OD2-NH2 2.86Å
989	P	97.8	Very high	96.2	Very high	87 Å²	87	50.7 Å²	50.7	57%	0.565	32%	0.32	S	S	*	.	P	Polyproline II helix	trans	-60.1	140.4	169.9	-21.5	31.7	0	0	0	112.3	K960 N961	K960-P989 HydrophobicContact CB-CG 4.07Å; K960-P989 HydrophobicContact CD-CG 4.4Å; N961-P989 HydrophobicContact CB-CB 4.36Å; N961-P989 VanDerWaalsContact OD1-CA 3.28Å; N961-P989 WeakPolarHBondContact OD1-CA 3.35Å
990	A	96.9	Very high	96.5	Very high	28 Å²	28	50 Å²	50	23%	0.231	31%	0.309	C	S	.	.			trans	-144.4	155.2	172.9	0	0	0	0	0	112.8	H959 N961 Q962	H959-A990 HydrophobicContact CB-CB 4.26Å; H959-A990 WeakPolarHBondContact CD2-CB 3.48Å; H959-A990 WeakPolarHBondContact NE2-CB 3.46Å; N961-A990 PolarHBondContact ND2-O 3.49Å; N961-A990 PolarHBondContact OD1-N 2.73Å; N961-A990 PolarHBondContact OD1-O 2.93Å; Q962-A990 PolarHBondContact NE2-O 3.45Å
991	A	96.8	Very high	96.9	Very high	106 Å²	106	48 Å²	48	88%	0.876	30%	0.3	S	S	*	.	S	Bend	trans	-78.2	-35.5	176	0	0	0	0	0	112.7
992	A	97.5	Very high	97.2	Very high	44 Å²	44	47.5 Å²	47.5	36%	0.364	30%	0.297	S	S	.	.	S	Bend	trans	-94.3	155	176.6	0	0	0	0	0	111	P788 Q962 A994	P788-A992 HydrophobicContact CB-CB 4.14Å; Q962-A992 PolarHBondContact NE2-O 2.95Å; A992-A994 VanDerWaalsContact C-N 3.35Å; A992-A994 PolarHBondContact O-N 3.3Å
993	P	97.3	Very high	97.3	Very high	3 Å²	3	51.1 Å²	51.1	2%	0.019	32%	0.319	C	S	.	.	S	Bend	trans	-63.4	-36.5	-179.9	-25.7	35.8	0	0	0	115.1	M783 P788 H959	M783-P993 WeakPolarHBondContact CE-O 3.39Å; P788-P993 WeakPolarHBondContact O-CB 3.28Å; P788-P993 WeakPolarHBondContact O-CG 3.16Å; H959-P993 PolarHBondContact CE1-O 2.94Å; H959-P993 PolarHBondContact ND1-O 3.27Å
994	A	97.9	Very high	97.4	Very high	7 Å²	7	52.2 Å²	52.2	6%	0.058	32%	0.322	C	S	.	.	S	Bend	trans	-147.9	155.8	-179.8	0	0	0	0	0	111.1	M783 P788 S791 A992	M783-A994 HydrophobicContact SD-CB 3.89Å; P788-A994 WeakPolarHBondContact CB-O 3.22Å; S791-A994 WeakPolarHBondContact OG-CB 3.44Å; A992-A994 VanDerWaalsContact C-N 3.35Å; A992-A994 PolarHBondContact O-N 3.3Å
995	T	96.7	Very high	97.4	Very high	31 Å²	31	52.1 Å²	52.1	19%	0.19	32%	0.324	C	S	.	.			trans	-68	140.7	167.3	179.1	0	0	0	0	111.2	N997 T1000 H1001	T995-N997 WeakPolarHBondContact CG2-O 3.5Å; T995-N997 PolarHBondContact O-N 2.87Å; T995-N997 PolarHBondContact OG1-N 3.42Å; T995-N997 VanDerWaalsContact OG1-N 3.13Å; T995-T1000 HydrophobicContact CG2-CG2 4.04Å; T995-H1001 HydrophobicContact CG2-CB 3.73Å
996	G	96.6	Very high	97.4	Very high	65 Å²	65	60.2 Å²	60.2	67%	0.67	35%	0.354	S	S	*	.	S	Bend	trans	-77.2	-6.3	170.4	0	0	0	0	0	113.8
997	N	97.1	Very high	97.5	Very high	82 Å²	82	64.3 Å²	64.3	44%	0.439	37%	0.367	S	S	.	.			trans	-103.3	117.9	-179.2	-174.2	-69.2	0	0	0	111.4	T995 N999 T1000 H1001	T995-N997 WeakPolarHBondContact CG2-O 3.5Å; T995-N997 PolarHBondContact O-N 2.87Å; T995-N997 PolarHBondContact OG1-N 3.42Å; T995-N997 VanDerWaalsContact OG1-N 3.13Å; N997-N999 VanDerWaalsContact C-N 3.33Å; N997-N999 PolarHBondContact O-N 3.45Å; N997-N999 WeakPolarHBondContact OD1-CA 3.45Å; N997-N999 WeakPolarHBondContact OD1-CB 3.45Å; N997-N999 PolarHBondContact OD1-N 3.35Å; N997-T1000 PolarHBondContact O-N 3.12Å; N997-T1000 PolarHBondContact OD1-N 3.43Å; N997-T1000 PolarHBondContact OD1-OG1 3Å; N997-H1001 PolarHBondContact O-N 3.48Å
998	K	95.9	Very high	97.4	Very high	144 Å²	144	64.2 Å²	64.2	63%	0.626	37%	0.366	S	S	*	.	H	α-helix	trans	-60.1	-37.1	-178.6	-172.1	172.1	-175.4	172.7	0	113.7	H1001 L1002	K998-H1001 WeakPolarHBondContact O-CB 3.45Å; K998-H1001 PolarHBondContact O-N 3.39Å; K998-L1002 WeakPolarHBondContact O-CG 3.46Å; K998-L1002 PolarHBondContact O-N 2.85Å; K998-L1002 VanDerWaalsContact O-N 3.13Å
999	N	97.4	Very high	97.5	Very high	109 Å²	109	60.7 Å²	60.7	58%	0.583	35%	0.347	S	S	*	.	H	α-helix	trans	-67.4	-44.9	177.9	-176.3	54.9	0	0	0	110.9	N997 H1001 L1002 V1003	N997-N999 VanDerWaalsContact C-N 3.33Å; N997-N999 PolarHBondContact O-N 3.45Å; N997-N999 WeakPolarHBondContact OD1-CA 3.45Å; N997-N999 WeakPolarHBondContact OD1-CB 3.45Å; N997-N999 PolarHBondContact OD1-N 3.35Å; N999-H1001 VanDerWaalsContact C-N 3.29Å; N999-H1001 PolarHBondContact O-N 3.11Å; N999-L1002 PolarHBondContact O-N 2.95Å; N999-L1002 VanDerWaalsContact O-N 3.15Å; N999-V1003 WeakPolarHBondContact O-CG2 3.34Å; N999-V1003 PolarHBondContact O-N 3.08Å
1000	T	97.5	Very high	97.5	Very high	56 Å²	56	59.9 Å²	59.9	34%	0.344	34%	0.338	S	S	.	.	H	α-helix	trans	-57.1	-44.2	173.9	-55.2	0	0	0	0	111.3	T995 N997 L1002 V1003 E1004	T995-T1000 HydrophobicContact CG2-CG2 4.04Å; N997-T1000 PolarHBondContact O-N 3.12Å; N997-T1000 PolarHBondContact OD1-N 3.43Å; N997-T1000 PolarHBondContact OD1-OG1 3Å; T1000-L1002 VanDerWaalsContact C-N 3.3Å; T1000-L1002 PolarHBondContact O-N 3.46Å; T1000-V1003 PolarHBondContact O-N 3.01Å; T1000-E1004 HydrophobicContact CG2-CG 4.43Å; T1000-E1004 WeakPolarHBondContact O-CB 3.34Å; T1000-E1004 WeakPolarHBondContact O-CG 3.43Å; T1000-E1004 PolarHBondContact O-N 3.19Å
1001	H	97.9	Very high	97.5	Very high	15 Å²	15	60.8 Å²	60.8	7%	0.069	34%	0.341	C	S	.	.	H	α-helix	trans	-56.6	-42.6	176.5	168	79.7	0	0	0	112.6	M783 G785 R987 T995 N997 K998 N999 L1005	M783-H1001 PolarHBondContact O-CE1 2.84Å; M783-H1001 VanDerWaalsContact O-CE1 3.27Å; G785-H1001 PolarHBondContact N-CE1 3.1Å; R987-H1001 PolarHBondContact NH2-CE1 3.02Å; R987-H1001 PolarHBondContact NH2-ND1 3.21Å; R987-H1001 PolarHBondContact NH2-O 3.21Å; R987-H1001 VanDerWaalsContact NH2-O 3.15Å; T995-H1001 HydrophobicContact CG2-CB 3.73Å; N997-H1001 PolarHBondContact O-N 3.48Å; K998-H1001 WeakPolarHBondContact O-CB 3.45Å; K998-H1001 PolarHBondContact O-N 3.39Å; N999-H1001 VanDerWaalsContact C-N 3.29Å; N999-H1001 PolarHBondContact O-N 3.11Å; H1001-L1005 WeakPolarHBondContact O-CB 3.41Å; H1001-L1005 PolarHBondContact O-N 3.02Å
1002	L	98.1	Very high	97.5	Very high	82 Å²	82	55.7 Å²	55.7	43%	0.429	30%	0.299	S	S	.	.	H	α-helix	trans	-71.9	-35.7	178.2	-68	174.5	0	0	0	112.8	K998 N999 T1000 L1005 R1006	K998-L1002 WeakPolarHBondContact O-CG 3.46Å; K998-L1002 PolarHBondContact O-N 2.85Å; K998-L1002 VanDerWaalsContact O-N 3.13Å; N999-L1002 PolarHBondContact O-N 2.95Å; N999-L1002 VanDerWaalsContact O-N 3.15Å; T1000-L1002 VanDerWaalsContact C-N 3.3Å; T1000-L1002 PolarHBondContact O-N 3.46Å; L1002-L1005 PolarHBondContact O-N 3.15Å; L1002-R1006 WeakPolarHBondContact O-CB 3.42Å; L1002-R1006 PolarHBondContact O-N 2.98Å
1003	V	98.3	Very high	97.5	Very high	79 Å²	79	53.9 Å²	53.9	48%	0.479	28%	0.283	S	S	.	.	H	α-helix	trans	-63.9	-45.7	173.8	169.4	0	0	0	0	110.2	N999 T1000 R1006 R1007	N999-V1003 WeakPolarHBondContact O-CG2 3.34Å; N999-V1003 PolarHBondContact O-N 3.08Å; T1000-V1003 PolarHBondContact O-N 3.01Å; V1003-R1006 PolarHBondContact O-N 3.4Å; V1003-R1007 WeakPolarHBondContact O-CB 3.48Å; V1003-R1007 PolarHBondContact O-N 2.96Å
1004	E	97.9	Very high	97.4	Very high	29 Å²	29	57.2 Å²	57.2	14%	0.136	30%	0.301	C	S	.	.	H	α-helix	trans	-59.7	-46.2	174.8	-75.2	167.8	178.1	0	0	112.1	R987 T1000 R1007 F1008	R987-E1004 WeakPolarHBondContact CD-OE2 3.38Å; R987-E1004 HydrophobicContact CG-CB 4.08Å; R987-E1004 IonicContact CZ-OE2 3.66Å; R987-E1004 IonicContact NE-OE2 3.22Å; R987-E1004 PolarHBondContact NE-OE2 3.31Å; T1000-E1004 HydrophobicContact CG2-CG 4.43Å; T1000-E1004 WeakPolarHBondContact O-CB 3.34Å; T1000-E1004 WeakPolarHBondContact O-CG 3.43Å; T1000-E1004 PolarHBondContact O-N 3.19Å; E1004-R1007 PolarHBondContact O-N 3.15Å; E1004-F1008 WeakPolarHBondContact O-CD1 3.45Å; E1004-F1008 PolarHBondContact O-N 3.02Å
1005	L	97.8	Very high	97.2	Very high	29 Å²	29	59.2 Å²	59.2	15%	0.152	31%	0.31	C	S	.	.	H	α-helix	trans	-56.4	-52.3	176.2	173.3	59.1	0	0	0	111.2	E910 H1001 L1002 R1007 F1008 L1009	E910-L1005 HydrophobicContact CG-CD1 4.49Å; H1001-L1005 WeakPolarHBondContact O-CB 3.41Å; H1001-L1005 PolarHBondContact O-N 3.02Å; L1002-L1005 PolarHBondContact O-N 3.15Å; L1005-R1007 VanDerWaalsContact C-N 3.32Å; L1005-R1007 PolarHBondContact O-N 3.46Å; L1005-F1008 VanDerWaalsContact CA-CE1 3.49Å; L1005-F1008 HydrophobicContact CB-CE1 4.24Å; L1005-F1008 HydrophobicContact CD1-CE1 3.59Å; L1005-F1008 HydrophobicContact CD1-CE2 3.98Å; L1005-F1008 HydrophobicContact CD1-CZ 3.22Å; L1005-F1008 HydrophobicContact CG-CZ 4.49Å; L1005-F1008 PolarHBondContact O-N 2.92Å; L1005-L1009 HydrophobicContact CD1-CD1 3.73Å; L1005-L1009 HydrophobicContact CD1-CG 4.05Å; L1005-L1009 HydrophobicContact CG-CD1 4.01Å; L1005-L1009 WeakPolarHBondContact O-CB 3.44Å; L1005-L1009 VanDerWaalsContact O-CG 3.28Å; L1005-L1009 WeakPolarHBondContact O-CG 3.36Å; L1005-L1009 PolarHBondContact O-N 3.22Å; L1005-L1009 VanDerWaalsContact O-N 3.11Å
1006	R	97.9	Very high	96.9	Very high	170 Å²	170	64.5 Å²	64.5	64%	0.642	33%	0.333	S	S	*	.	H	α-helix	trans	-58	-46.9	178.6	-173.2	-178.7	-56.6	175.3	3.9	111.4	L1002 V1003 F1008 L1009 D1010	L1002-R1006 WeakPolarHBondContact O-CB 3.42Å; L1002-R1006 PolarHBondContact O-N 2.98Å; V1003-R1006 PolarHBondContact O-N 3.4Å; R1006-F1008 PolarHBondContact O-N 2.77Å; R1006-L1009 PolarHBondContact O-N 3.49Å; R1006-D1010 PolarHBondContact O-N 3.14Å
1007	R	98	Very high	96.4	Very high	97 Å²	97	63.3 Å²	63.3	37%	0.366	32%	0.316	S	S	.	.	H	α-helix	trans	-59.8	-47.1	-177.2	-176.6	-179.2	64.4	169	3.6	112.2	D988 V1003 E1004 L1005 L1009 D1010 T1011	D988-R1007 IonicContact OD1-CZ 3.67Å; D988-R1007 IonicContact OD1-NH1 3.48Å; D988-R1007 IonicContact OD1-NH2 2.68Å; D988-R1007 IonicContact OD2-CZ 3.9Å; D988-R1007 IonicContact OD2-NH1 2.85Å; D988-R1007 PolarHBondContact OD2-NH1 3.38Å; D988-R1007 IonicContact OD2-NH2 3.31Å; D988-R1007 PolarHBondContact OD2-NH2 2.86Å; V1003-R1007 WeakPolarHBondContact O-CB 3.48Å; V1003-R1007 PolarHBondContact O-N 2.96Å; E1004-R1007 PolarHBondContact O-N 3.15Å; L1005-R1007 VanDerWaalsContact C-N 3.32Å; L1005-R1007 PolarHBondContact O-N 3.46Å; R1007-L1009 VanDerWaalsContact C-N 3.35Å; R1007-D1010 WeakPolarHBondContact O-CB 3.29Å; R1007-D1010 PolarHBondContact O-N 2.91Å; R1007-T1011 PolarHBondContact O-N 3.35Å; R1007-T1011 PolarHBondContact O-OG1 3.05Å
1008	F	97.4	Very high	95.9	Very high	1 Å²	1	62.4 Å²	62.4	0%	0.004	31%	0.309	C	S	.	.	H	α-helix	trans	-72.5	-31	-179.1	78.3	-115.6	0	0	0	112.5	V907 E957 G986 R987 E1004 L1005 R1006 D1010 T1011 A1012	V907-F1008 HydrophobicContact CG2-CE2 3.99Å; V907-F1008 HydrophobicContact CG2-CZ 4.11Å; E957-F1008 HydrophobicContact CB-CE1 4.45Å; E957-F1008 HydrophobicContact CB-CZ 4.26Å; G986-F1008 WeakPolarHBondContact O-CB 3.36Å; R987-F1008 HydrophobicContact CG-CD1 4.33Å; E1004-F1008 WeakPolarHBondContact O-CD1 3.45Å; E1004-F1008 PolarHBondContact O-N 3.02Å; L1005-F1008 VanDerWaalsContact CA-CE1 3.49Å; L1005-F1008 HydrophobicContact CB-CE1 4.24Å; L1005-F1008 HydrophobicContact CD1-CE1 3.59Å; L1005-F1008 HydrophobicContact CD1-CE2 3.98Å; L1005-F1008 HydrophobicContact CD1-CZ 3.22Å; L1005-F1008 HydrophobicContact CG-CZ 4.49Å; L1005-F1008 PolarHBondContact O-N 2.92Å; R1006-F1008 PolarHBondContact O-N 2.77Å; F1008-D1010 VanDerWaalsContact C-N 3.34Å; F1008-T1011 PolarHBondContact O-N 3.12Å; F1008-A1012 WeakPolarHBondContact O-CB 3.44Å; F1008-A1012 PolarHBondContact O-N 2.73Å
1009	L	98.3	Very high	94.7	Very high	10 Å²	10	58.7 Å²	58.7	5%	0.052	30%	0.301	C	S	.	.	H	α-helix	trans	-65.6	-39.3	172.2	-71.3	175.8	0	0	0	111.3	L911 E914 L1005 R1006 R1007 A1012 F1013	L911-L1009 HydrophobicContact CD2-CD2 3.8Å; L911-L1009 HydrophobicContact CG-CD2 4.46Å; E914-L1009 HydrophobicContact CB-CD1 4.46Å; E914-L1009 HydrophobicContact CB-CD2 4.43Å; E914-L1009 HydrophobicContact CG-CB 4.31Å; E914-L1009 HydrophobicContact CG-CD1 4.49Å; L1005-L1009 HydrophobicContact CD1-CD1 3.73Å; L1005-L1009 HydrophobicContact CD1-CG 4.05Å; L1005-L1009 HydrophobicContact CG-CD1 4.01Å; L1005-L1009 WeakPolarHBondContact O-CB 3.44Å; L1005-L1009 VanDerWaalsContact O-CG 3.28Å; L1005-L1009 WeakPolarHBondContact O-CG 3.36Å; L1005-L1009 PolarHBondContact O-N 3.22Å; L1005-L1009 VanDerWaalsContact O-N 3.11Å; R1006-L1009 PolarHBondContact O-N 3.49Å; R1007-L1009 VanDerWaalsContact C-N 3.35Å; L1009-A1012 PolarHBondContact O-N 2.98Å; L1009-F1013 WeakPolarHBondContact O-CD2 3.34Å; L1009-F1013 PolarHBondContact O-N 3.16Å
1010	D	97.8	Very high	92.6	Very high	70 Å²	70	61.3 Å²	61.3	37%	0.374	31%	0.307	S	S	.	.	H	α-helix	trans	-58.4	-49.8	172.7	-69.4	-26.3	0	0	0	110.6	R918 R1006 R1007 F1008 A1012 F1013 D1014	R918-D1010 IonicContact CZ-OD1 2.78Å; R918-D1010 IonicContact NH1-OD1 3.8Å; R918-D1010 IonicContact NH2-OD1 2.67Å; R918-D1010 PolarHBondContact NH2-OD1 3.31Å; R1006-D1010 PolarHBondContact O-N 3.14Å; R1007-D1010 WeakPolarHBondContact O-CB 3.29Å; R1007-D1010 PolarHBondContact O-N 2.91Å; F1008-D1010 VanDerWaalsContact C-N 3.34Å; D1010-A1012 PolarHBondContact O-N 3.16Å; D1010-F1013 PolarHBondContact O-N 3.02Å; D1010-D1014 VanDerWaalsContact O-CB 3.29Å; D1010-D1014 WeakPolarHBondContact O-CB 3.49Å; D1010-D1014 PolarHBondContact O-N 3.34Å
1011	T	97.3	Very high	90	Very high	47 Å²	47	67 Å²	67	29%	0.288	33%	0.33	S	S	.	.	H	α-helix	trans	-59.7	-42.8	175.2	-54.2	0	0	0	0	112.7	A985 R1007 F1008 F1013 A1017 F1018	A985-T1011 HydrophobicContact CB-CG2 4.37Å; R1007-T1011 PolarHBondContact O-N 3.35Å; R1007-T1011 PolarHBondContact O-OG1 3.05Å; F1008-T1011 PolarHBondContact O-N 3.12Å; T1011-F1013 VanDerWaalsContact C-N 3.3Å; T1011-F1013 PolarHBondContact O-N 3.1Å; T1011-A1017 HydrophobicContact CG2-CB 4.46Å; T1011-F1018 HydrophobicContact CG2-CE2 4.26Å; T1011-F1018 HydrophobicContact CG2-CZ 3.7Å
1012	A	97.5	Very high	86.9	Confident	0 Å²	0	79.6 Å²	79.6	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-62.1	-37.3	-176.7	0	0	0	0	0	112.6	R899 I901 L911 A985 F1008 L1009 D1010	R899-A1012 WeakPolarHBondContact CD-O 3.46Å; R899-A1012 PolarHBondContact NH1-O 3.29Å; I901-A1012 HydrophobicContact CD1-CB 4.3Å; L911-A1012 HydrophobicContact CD2-CB 4.19Å; A985-A1012 HydrophobicContact CB-CB 3.82Å; F1008-A1012 WeakPolarHBondContact O-CB 3.44Å; F1008-A1012 PolarHBondContact O-N 2.73Å; L1009-A1012 PolarHBondContact O-N 2.98Å; D1010-A1012 PolarHBondContact O-N 3.16Å
1013	F	97.4	Very high	86.4	Confident	6 Å²	6	79.5 Å²	79.5	3%	0.026	38%	0.383	C	S	.	.	H	α-helix	trans	-104	-2.8	-176.2	-70.9	-72.5	0	0	0	115	I901 L911 E914 R915 L920 V924 I926 L1009 D1010 T1011 L1015	I901-F1013 HydrophobicContact CD1-CD1 4.42Å; I901-F1013 HydrophobicContact CD1-CE1 4Å; I901-F1013 HydrophobicContact CD1-CZ 4.17Å; L911-F1013 HydrophobicContact CB-CZ 4.4Å; L911-F1013 HydrophobicContact CD2-CE2 3.75Å; L911-F1013 HydrophobicContact CD2-CZ 4.08Å; L911-F1013 VanDerWaalsContact O-CZ 3.22Å; L911-F1013 WeakPolarHBondContact O-CZ 3.22Å; E914-F1013 HydrophobicContact CB-CD2 4.3Å; E914-F1013 HydrophobicContact CB-CE2 3.91Å; E914-F1013 HydrophobicContact CG-CD2 3.89Å; E914-F1013 HydrophobicContact CG-CE2 4.03Å; R915-F1013 HydrophobicContact CB-CE1 3.55Å; R915-F1013 HydrophobicContact CB-CZ 3.63Å; R915-F1013 HydrophobicContact CG-CE1 3.91Å; R915-F1013 HydrophobicContact CG-CZ 4.45Å; L920-F1013 HydrophobicContact CD1-CB 4.06Å; L920-F1013 HydrophobicContact CD1-CD1 3.88Å; L920-F1013 HydrophobicContact CD1-CG 4.36Å; V924-F1013 HydrophobicContact CB-CE1 4.34Å; V924-F1013 HydrophobicContact CG1-CD1 4.2Å; V924-F1013 HydrophobicContact CG1-CE1 3.83Å; V924-F1013 HydrophobicContact CG2-CD1 4.35Å; I926-F1013 HydrophobicContact CD1-CZ 4.29Å; L1009-F1013 WeakPolarHBondContact O-CD2 3.34Å; L1009-F1013 PolarHBondContact O-N 3.16Å; D1010-F1013 PolarHBondContact O-N 3.02Å; T1011-F1013 VanDerWaalsContact C-N 3.3Å; T1011-F1013 PolarHBondContact O-N 3.1Å; F1013-L1015 PolarHBondContact O-N 3.05Å
1014	D	95.4	Very high	85.7	Confident	72 Å²	72	79.5 Å²	79.5	39%	0.385	38%	0.378	S	S	.	.			trans	-75.5	102.8	169.1	176.9	7.3	0	0	0	110.1	R899 D1010 E1016 A1017	R899-D1014 VanDerWaalsContact CZ-O 3.23Å; R899-D1014 VanDerWaalsContact NH1-C 3.33Å; R899-D1014 PolarHBondContact NH1-O 2.75Å; R899-D1014 PolarHBondContact NH2-O 2.97Å; D1010-D1014 VanDerWaalsContact O-CB 3.29Å; D1010-D1014 WeakPolarHBondContact O-CB 3.49Å; D1010-D1014 PolarHBondContact O-N 3.34Å; D1014-E1016 PolarHBondContact O-N 3.04Å; D1014-E1016 VanDerWaalsContact O-N 3.1Å; D1014-E1016 PolarHBondContact OD1-N 3.21Å; D1014-A1017 HydrophobicContact CB-CB 3.97Å; D1014-A1017 WeakPolarHBondContact O-CB 3.42Å; D1014-A1017 PolarHBondContact O-N 3.24Å; D1014-A1017 VanDerWaalsContact O-N 3.12Å
1015	L	92.5	Very high	85.1	Confident	49 Å²	49	82.3 Å²	82.3	26%	0.257	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-16.1	-177.7	-63.8	-178.6	0	0	0	113.4	K898 R899 V924 F1013 S1019	K898-L1015 HydrophobicContact CB-CD2 4.4Å; K898-L1015 HydrophobicContact CD-CD1 3.97Å; R899-L1015 HydrophobicContact CB-CD2 4.06Å; R899-L1015 PolarHBondContact NH2-O 3.26Å; V924-L1015 HydrophobicContact CG2-CD2 4.09Å; F1013-L1015 PolarHBondContact O-N 3.05Å; L1015-S1019 PolarHBondContact O-OG 2.75Å
1016	E	91	Very high	84.3	Confident	142 Å²	142	85.5 Å²	85.5	66%	0.664	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-14.3	178.6	-61.8	-174.2	-179.9	0	0	113.4	D1014 F1018 S1019	D1014-E1016 PolarHBondContact O-N 3.04Å; D1014-E1016 VanDerWaalsContact O-N 3.1Å; D1014-E1016 PolarHBondContact OD1-N 3.21Å; E1016-F1018 PolarHBondContact O-N 3.13Å; E1016-S1019 WeakPolarHBondContact CA-OG 3.31Å; E1016-S1019 PolarHBondContact O-N 3.47Å; E1016-S1019 VanDerWaalsContact O-N 3.17Å; E1016-S1019 PolarHBondContact O-OG 2.99Å
1017	A	86.5	Confident	83.5	Confident	40 Å²	40	80.2 Å²	80.2	33%	0.331	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-23.5	-171.4	0	0	0	0	0	115.3	T1011 D1014	T1011-A1017 HydrophobicContact CG2-CB 4.46Å; D1014-A1017 HydrophobicContact CB-CB 3.97Å; D1014-A1017 WeakPolarHBondContact O-CB 3.42Å; D1014-A1017 PolarHBondContact O-N 3.24Å; D1014-A1017 VanDerWaalsContact O-N 3.12Å
1018	F	85.6	Confident	82.5	Confident	63 Å²	63	79.1 Å²	79.1	28%	0.276	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.2	11	-176.9	-54.8	-68.5	0	0	0	113.4	V953 Y984 T1011 E1016 F1020	V953-F1018 HydrophobicContact CG1-CE2 4.26Å; V953-F1018 HydrophobicContact CG2-CD2 3.66Å; V953-F1018 HydrophobicContact CG2-CE2 3.55Å; V953-F1018 HydrophobicContact CG2-CZ 4.46Å; Y984-F1018 WeakPolarHBondContact O-CZ 3.49Å; T1011-F1018 HydrophobicContact CG2-CE2 4.26Å; T1011-F1018 HydrophobicContact CG2-CZ 3.7Å; E1016-F1018 PolarHBondContact O-N 3.13Å; F1018-F1020 VanDerWaalsContact C-N 3.25Å; F1018-F1020 PolarHBondContact O-N 2.6Å
1019	S	70.9	Confident	81.4	Confident	66 Å²	66	84.6 Å²	84.6	46%	0.462	42%	0.42	S	S	.	.			trans	-76.6	-11	-177.2	-45.2	0	0	0	0	113.5	L1015 E1016	L1015-S1019 PolarHBondContact O-OG 2.75Å; E1016-S1019 WeakPolarHBondContact CA-OG 3.31Å; E1016-S1019 PolarHBondContact O-N 3.47Å; E1016-S1019 VanDerWaalsContact O-N 3.17Å; E1016-S1019 PolarHBondContact O-OG 2.99Å
1020	F	53.5	Low	80.1	Confident	164 Å²	164	90.4 Å²	90.4	72%	0.719	45%	0.448	S	S	*	.			trans	-99.7	89	178.7	-61.3	-81.8	0	0	0	110.2	F1018	F1018-F1020 VanDerWaalsContact C-N 3.25Å; F1018-F1020 PolarHBondContact O-N 2.6Å
1021	H	42.5	Very low	78.7	Confident	176 Å²	176	92.1 Å²	92.1	82%	0.815	45%	0.454	S	S	*	.			trans	168.4	81.6	149.6	-81.7	-8.8	0	0	0	107.8
1022	F	33.7	Very low	77	Confident	280 Å²	280	96.2 Å²	96.2	100%	1.228	47%	0.469	S	S	*	.			trans	-98.1	0	154.7	-90.9	-79.9	0	0	0	108.6

Retrieved 1,022 of 1,022 residues in 387.1 ms (Link to these results)

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