A0A077ZH85_TRITR Loading...

Acyl-CoA synthetase family member 2, mitochondria l

AlphaFold DB , UniProt , Accession A0A077ZH85, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 874 aa.

						>A0A077ZH85_TRITR|A0A077ZH85
MAFSSDANGTSADGDFGESQEEPNCIDQIKHSTVKVGEVYFAENCLMCKCGAKEHPCQPLWCPPPTPCDGVITKDPRNCCDVCAPSVLLGKVLNLPLFLMKKGRISDLHLMGQSGEREISLTLFSCCRSINGGFHPFRGPLDRSCGSCRVSTSCPRSVVTPSFIPATTYADPPPPYSMAVMVPFAPRGVANNMATYSAPPPPYLCASRVSRSADNEVCCTNGTCLRRNMPSRRSWPEFFVGRTLNWPLKRKVSQEVLGSRGHMQGSCGTSVADTGSVSTTYCREAYILTVGNPFFSKVCPSAHAMAFRPLTISIGHAFEKNYREQGIREAFVFVEEHVQYTFLELLRMADRLAAGLLAIGLSPKDRVCLWGSNRSELLLALLACARAGFVFTLASPTLPVANLVDLLNSVGYVSQFFVNPAFEFLKINCKAIVCFPSAKVGKIDQLLAETLPELATSSSKGDLKSPTLPCLTHVIIASDVIVFKCAFSFDEVFNSNSDQKCLSEIDSQIDSSDLAAILLTSRTHGDQKPVRLSHYQLMNACLSIGRRLSLDSAQVLCSPLPLFRGPVMCLTVLSTIIFGCKAVIPSEQPLPAAIWRAIERFKCTCLLTSPVALSFMFRLSDLSKFDLSTLTTACLAGDPFPPDLLSMLRKTNITNIVTGMFLTEAGCAPIVSPLEEPLEAMISAVGKAADGFAAKVVDKQGTNCPADTIGELWISPIEGSKFLGYQYSTNVDIDDNWIKTGDLAVVDNDGLISLVGKVKDVIYRRGSPVYPHMLERFISPLPWVQTVQAVGLSDSVNGESVCVCVVLKPKAEVDEADAKDIIKKLCSEQKLPPVDHILILNELPRGTTRKVLFSMHMQWTYKLTFREAEARLKR
					

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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	25.1	Very low	29.3	Very low	239 Å²	239	127.7 Å²	127.7	100%	1.177	78%	0.776	S	S	*	*				0	90.5	0	-54.5	171.5	-170.4	0	0	105.5
2	A	28	Very low	29.6	Very low	80 Å²	80	123 Å²	123	66%	0.661	76%	0.761	S	S	*	*			cis	63	130.6	26.8	0	0	0	0	0	111.9
3	F	29.6	Very low	29.6	Very low	201 Å²	201	126.5 Å²	126.5	88%	0.882	77%	0.772	S	S	*	*			cis	-130.2	-176.2	19.1	-104.3	-86.2	0	0	0	115.3
4	S	26.1	Very low	29.7	Very low	94 Å²	94	122.9 Å²	122.9	66%	0.657	77%	0.772	S	S	*	*			trans	-64.8	-170	169.5	57.6	0	0	0	0	113.2
5	S	32	Very low	29.6	Very low	89 Å²	89	125.9 Å²	125.9	62%	0.622	78%	0.781	S	S	*	*			cis	-150.4	-150.8	12.7	-38.4	0	0	0	0	110.5
6	D	31.4	Very low	29.5	Very low	150 Å²	150	129.8 Å²	129.8	80%	0.802	78%	0.783	S	S	*	*			cis	-167.2	171.7	-6.4	-104.3	-31.9	0	0	0	105.2
7	A	29.5	Very low	29.3	Very low	67 Å²	67	126.8 Å²	126.8	55%	0.554	79%	0.786	S	S	*	*			cis	-174.2	-175.4	-26.2	0	0	0	0	0	109.4
8	N	31.7	Very low	29.1	Very low	170 Å²	170	128.9 Å²	128.9	91%	0.909	79%	0.785	S	S	*	*			trans	72.8	134	165.3	-55.9	-28.5	0	0	0	119.2
9	G	29.4	Very low	28.8	Very low	59 Å²	59	128.1 Å²	128.1	61%	0.608	79%	0.785	S	S	*	*			cis	171.8	173.3	-10	0	0	0	0	0	115.8
10	T	30.5	Very low	28.7	Very low	142 Å²	142	130.8 Å²	130.8	87%	0.871	79%	0.788	S	S	*	*			trans	59.9	140.4	156.7	56.1	0	0	0	0	119.8
11	S	29.2	Very low	28.6	Very low	114 Å²	114	134.1 Å²	134.1	80%	0.797	80%	0.795	S	S	*	*			cis	-169.8	-174.5	-9.9	53.9	0	0	0	0	107.5
12	A	33.1	Very low	28.7	Very low	71 Å²	71	130.7 Å²	130.7	59%	0.587	78%	0.776	S	S	*	*			cis	-158.1	155.7	6.4	0	0	0	0	0	112.7
13	D	29.9	Very low	28.9	Very low	169 Å²	169	132.2 Å²	132.2	90%	0.904	78%	0.78	S	S	*	*			trans	53.3	137.7	135.8	-49.1	-23.8	0	0	0	124.2
14	G	29.8	Very low	28.9	Very low	75 Å²	75	129.7 Å²	129.7	77%	0.773	78%	0.775	S	S	*	*			trans	177.9	38.6	-178.4	0	0	0	0	0	117.9
15	D	28.9	Very low	28.9	Very low	169 Å²	169	130.4 Å²	130.4	90%	0.904	78%	0.779	S	S	*	*			trans	66	159	168.2	-82.7	-34.5	0	0	0	122
16	F	27.3	Very low	28.9	Very low	187 Å²	187	132.9 Å²	132.9	82%	0.82	78%	0.784	S	S	*	*			trans	-104.3	155.7	-168.3	-90.8	-114.6	0	0	0	114.2	E18	F16-E18 HydrophobicContact CD1-CG 4.29Å
17	G	26.4	Very low	28.9	Very low	80 Å²	80	131.6 Å²	131.6	83%	0.825	78%	0.777	S	S	*	*			trans	-157.6	103.7	161	0	0	0	0	0	110.6
18	E	25.6	Very low	28.9	Very low	165 Å²	165	137.2 Å²	137.2	77%	0.771	79%	0.792	S	S	*	*			trans	-88.4	158.3	-173.1	-68.9	-170	126.9	0	0	114.3	F16	F16-E18 HydrophobicContact CD1-CG 4.29Å
19	S	24.3	Very low	29.1	Very low	112 Å²	112	134.4 Å²	134.4	78%	0.783	78%	0.776	S	S	*	*			trans	68.4	100.1	158.7	70.1	0	0	0	0	118.9
20	Q	26.1	Very low	29.2	Very low	183 Å²	183	139.9 Å²	139.9	86%	0.855	78%	0.783	S	S	*	*				-165.3	112.5	103.1	-100.8	175.5	22.5	0	0	110.1
21	E	27.4	Very low	29.4	Very low	200 Å²	200	138.7 Å²	138.7	94%	0.935	77%	0.767	S	S	*	*			trans	-87.7	108.4	169.8	-67.3	-171.8	137.5	0	0	109.4
22	E	26.9	Very low	29.8	Very low	167 Å²	167	136 Å²	136	78%	0.78	75%	0.748	S	S	*	*			trans	-79.6	132.8	168.6	-71.1	-164.1	138.6	0	0	110.8	N24	E22-N24 PolarHBondContact O-N 3.5Å
23	P	31.2	Very low	29.9	Very low	113 Å²	113	136 Å²	136	73%	0.734	74%	0.741	S	S	*	*			trans	-74.2	111.9	176.1	29.8	-32.9	0	0	0	110.3	C25	P23-C25 PolarHBondContact O-N 3.27Å
24	N	30	Very low	30.2	Very low	147 Å²	147	130.4 Å²	130.4	79%	0.786	71%	0.713	S	S	*	*			trans	-61	106	173.4	-84.5	-70.5	0	0	0	110.8	E22 I26	E22-N24 PolarHBondContact O-N 3.5Å; N24-I26 PolarHBondContact O-N 3.4Å; N24-I26 VanDerWaalsContact O-N 3.14Å
25	C	27.1	Very low	30.3	Very low	110 Å²	110	132.7 Å²	132.7	74%	0.743	70%	0.702	S	S	*	*			trans	-63.1	111.8	-175.5	-66.4	0	0	0	0	112.9	P23	P23-C25 PolarHBondContact O-N 3.27Å
26	I	31.6	Very low	30.5	Very low	141 Å²	141	129.4 Å²	129.4	72%	0.723	69%	0.687	S	S	*	*			trans	-94.9	90.5	159.9	-57.2	177.8	0	0	0	107.4	N24 Q28	N24-I26 PolarHBondContact O-N 3.4Å; N24-I26 VanDerWaalsContact O-N 3.14Å; I26-Q28 PolarHBondContact O-N 2.62Å
27	D	30.6	Very low	30.8	Very low	122 Å²	122	124.1 Å²	124.1	65%	0.652	69%	0.685	S	S	*	*			trans	-67.5	114.1	173.3	-88.7	-35.5	0	0	0	110.3	I29	D27-I29 PolarHBondContact O-N 2.98Å
28	Q	30.5	Very low	31.2	Very low	185 Å²	185	125 Å²	125	86%	0.864	67%	0.668	S	S	*	*			trans	-79.8	80.1	-174.2	-167.9	-178.6	55.4	0	0	111.5	I26 K30	I26-Q28 PolarHBondContact O-N 2.62Å; Q28-K30 PolarHBondContact O-N 2.91Å
29	I	34.4	Very low	31.7	Very low	111 Å²	111	119.9 Å²	119.9	57%	0.569	65%	0.648	S	S	*	*			trans	-74.8	87.6	-179.7	-54.4	-179	0	0	0	111.3	D27	D27-I29 PolarHBondContact O-N 2.98Å
30	K	33.1	Very low	32.5	Very low	175 Å²	175	119.7 Å²	119.7	76%	0.761	63%	0.631	S	S	*	*			trans	59	92.8	152.7	-146.2	178.6	-166.8	-179.5	0	116.3	Q28	Q28-K30 PolarHBondContact O-N 2.91Å
31	H	34.9	Very low	32.9	Very low	116 Å²	116	117.7 Å²	117.7	54%	0.537	62%	0.619	S	S	.	*			trans	-65.3	132.6	166.3	-166.5	-77.4	0	0	0	111
32	S	36.1	Very low	33.3	Very low	57 Å²	57	110.2 Å²	110.2	40%	0.399	59%	0.592	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-140.2	118.7	175.3	51.6	0	0	0	0	112.1	L121	S32-L121 PolarHBondContact O-N 2.61Å
33	T	35.8	Very low	33.7	Very low	71 Å²	71	111.3 Å²	111.3	44%	0.436	60%	0.597	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-91.3	135.2	174.4	-41.7	0	0	0	0	109.4	E118	T33-E118 HydrophobicContact CG2-CB 4.25Å
34	V	36.8	Very low	34	Very low	53 Å²	53	112.9 Å²	112.9	32%	0.321	60%	0.599	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-131.2	138	179.2	-171.5	0	0	0	0	110.5	V39 I119	V34-V39 HydrophobicContact CG1-CG2 3.72Å; V34-I119 PolarHBondContact N-O 3.09Å; V34-I119 VanDerWaalsContact N-O 3.15Å; V34-I119 PolarHBondContact O-N 3.11Å; V34-I119 VanDerWaalsContact O-N 3.11Å
35	K	31	Very low	34	Very low	123 Å²	123	109.5 Å²	109.5	54%	0.535	59%	0.586	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-75.8	142	177.5	-73.8	179.3	178.7	175.8	0	111.4	G37 E118	K35-G37 PolarHBondContact O-N 3.34Å; K35-E118 WeakPolarHBondContact CE-OE1 3.36Å; K35-E118 HydrophobicContact CG-CG 4.15Å
36	V	34	Very low	34.4	Very low	100 Å²	100	109.6 Å²	109.6	61%	0.606	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.4	101.1	-178.8	-176.8	0	0	0	0	109.8	R117 I119	V36-R117 PolarHBondContact N-O 3.25Å; V36-I119 HydrophobicContact CG2-CD1 3.9Å; V36-I119 HydrophobicContact CG2-CG1 3.82Å
37	G	33.3	Very low	34.7	Very low	75 Å²	75	105.7 Å²	105.7	77%	0.773	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	143.8	-15.8	172.5	0	0	0	0	0	116.3	K35	K35-G37 PolarHBondContact O-N 3.34Å
38	E	35.4	Very low	34.9	Very low	100 Å²	100	103.7 Å²	103.7	47%	0.467	55%	0.552	S	S	.	*	S	Bend	trans	-96.5	4.1	-168	-63.2	-175.8	140.7	0	0	115.1	K49	E38-K49 PolarHBondContact O-N 2.92Å
39	V	35.9	Very low	35	Very low	56 Å²	56	102.4 Å²	102.4	34%	0.339	54%	0.544	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	139.5	-172.6	-166.4	0	0	0	0	112.2	V34 L46 M47	V34-V39 HydrophobicContact CG1-CG2 3.72Å; V39-L46 HydrophobicContact CG1-CD1 3.49Å; V39-L46 VanDerWaalsContact CG1-CD1 3.49Å; V39-L46 HydrophobicContact CG1-CD2 4.2Å; V39-L46 HydrophobicContact CG1-CG 3.6Å; V39-M47 WeakPolarHBondContact CA-O 3.41Å; V39-M47 WeakPolarHBondContact CG1-O 3.14Å
40	Y	41.3	Very low	34.9	Very low	109 Å²	109	101.9 Å²	101.9	43%	0.427	55%	0.549	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	163.1	171.7	66.8	-77	0	0	0	111.3	A42 M47 K49	Y40-A42 HydrophobicContact CE2-CB 4.29Å; Y40-M47 HydrophobicContact CD1-CB 4.31Å; Y40-M47 HydrophobicContact CE1-CB 3.97Å; Y40-M47 HydrophobicContact CE2-CB 4.32Å; Y40-M47 PolarHBondContact N-O 2.82Å; Y40-M47 PolarHBondContact O-N 2.82Å; Y40-K49 HydrophobicContact CE1-CD 4.5Å
41	F	34.6	Very low	34.8	Very low	141 Å²	141	97.1 Å²	97.1	62%	0.618	55%	0.55	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.4	136.5	175.3	-87.3	-83.1	0	0	0	110.9	C45 L46	F41-C45 WeakPolarHBondContact CA-O 3.28Å; F41-C45 VanDerWaalsContact CD1-O 3.31Å; F41-C45 WeakPolarHBondContact CD1-O 3.08Å; F41-L46 HydrophobicContact CD1-CD1 4.36Å; F41-L46 HydrophobicContact CD2-CD1 3.95Å; F41-L46 HydrophobicContact CE1-CB 4.13Å; F41-L46 HydrophobicContact CE1-CD1 3.91Å; F41-L46 HydrophobicContact CE2-CD1 3.46Å; F41-L46 VanDerWaalsContact CE2-CD1 3.46Å; F41-L46 HydrophobicContact CG-CD1 4.39Å; F41-L46 HydrophobicContact CZ-CB 4.42Å; F41-L46 HydrophobicContact CZ-CD1 3.45Å; F41-L46 VanDerWaalsContact CZ-CD1 3.45Å
42	A	34.2	Very low	34.5	Very low	43 Å²	43	96.7 Å²	96.7	36%	0.355	57%	0.566	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-145.5	140.4	169.3	0	0	0	0	0	109	Y40 N44 C45	Y40-A42 HydrophobicContact CE2-CB 4.29Å; A42-N44 VanDerWaalsContact C-N 3.33Å; A42-N44 PolarHBondContact O-N 3.36Å; A42-N44 VanDerWaalsContact O-N 3.14Å; A42-C45 PolarHBondContact N-O 3.03Å; A42-C45 VanDerWaalsContact N-O 3.12Å; A42-C45 WeakPolarHBondContact O-CA 3.49Å; A42-C45 PolarHBondContact O-N 2.6Å; A42-C45 VanDerWaalsContact O-O 3.1Å
43	E	36.3	Very low	34.3	Very low	189 Å²	189	102 Å²	102	88%	0.883	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	44.5	50.1	172.6	-56.6	-166.4	159.8	0	0	115.2	C45	E43-C45 PolarHBondContact O-N 3Å; E43-C45 VanDerWaalsContact O-N 3.16Å
44	N	36.5	Very low	33.9	Very low	146 Å²	146	107.1 Å²	107.1	78%	0.781	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	64.1	6.2	-177.4	-53.8	-51.3	0	0	0	116.2	A42	A42-N44 VanDerWaalsContact C-N 3.33Å; A42-N44 PolarHBondContact O-N 3.36Å; A42-N44 VanDerWaalsContact O-N 3.14Å
45	C	31.6	Very low	33.6	Very low	76 Å²	76	111 Å²	111	51%	0.514	62%	0.616	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-110.2	149.3	178.3	-76.7	0	0	0	0	112.7	F41 A42 E43	F41-C45 WeakPolarHBondContact CA-O 3.28Å; F41-C45 VanDerWaalsContact CD1-O 3.31Å; F41-C45 WeakPolarHBondContact CD1-O 3.08Å; A42-C45 PolarHBondContact N-O 3.03Å; A42-C45 VanDerWaalsContact N-O 3.12Å; A42-C45 WeakPolarHBondContact O-CA 3.49Å; A42-C45 PolarHBondContact O-N 2.6Å; A42-C45 VanDerWaalsContact O-O 3.1Å; E43-C45 PolarHBondContact O-N 3Å; E43-C45 VanDerWaalsContact O-N 3.16Å
46	L	34.8	Very low	33.6	Very low	112 Å²	112	110.7 Å²	110.7	59%	0.586	63%	0.626	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-90.7	117.6	172.5	-171.5	80.3	0	0	0	109	V39 F41	V39-L46 HydrophobicContact CG1-CD1 3.49Å; V39-L46 VanDerWaalsContact CG1-CD1 3.49Å; V39-L46 HydrophobicContact CG1-CD2 4.2Å; V39-L46 HydrophobicContact CG1-CG 3.6Å; F41-L46 HydrophobicContact CD1-CD1 4.36Å; F41-L46 HydrophobicContact CD2-CD1 3.95Å; F41-L46 HydrophobicContact CE1-CB 4.13Å; F41-L46 HydrophobicContact CE1-CD1 3.91Å; F41-L46 HydrophobicContact CE2-CD1 3.46Å; F41-L46 VanDerWaalsContact CE2-CD1 3.46Å; F41-L46 HydrophobicContact CG-CD1 4.39Å; F41-L46 HydrophobicContact CZ-CB 4.42Å; F41-L46 HydrophobicContact CZ-CD1 3.45Å; F41-L46 VanDerWaalsContact CZ-CD1 3.45Å
47	M	37.7	Very low	33.4	Very low	60 Å²	60	111.5 Å²	111.5	30%	0.296	64%	0.635	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-109.2	118.3	-176.2	-66.2	-95.7	67.6	0	0	110.8	V39 Y40	V39-M47 WeakPolarHBondContact CA-O 3.41Å; V39-M47 WeakPolarHBondContact CG1-O 3.14Å; Y40-M47 HydrophobicContact CD1-CB 4.31Å; Y40-M47 HydrophobicContact CE1-CB 3.97Å; Y40-M47 HydrophobicContact CE2-CB 4.32Å; Y40-M47 PolarHBondContact N-O 2.82Å; Y40-M47 PolarHBondContact O-N 2.82Å
48	C	34.2	Very low	33.3	Very low	79 Å²	79	116.6 Å²	116.6	53%	0.534	64%	0.639	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-93.9	138.7	173.3	-173.5	0	0	0	0	110.5
49	K	34.2	Very low	33.3	Very low	158 Å²	158	117.4 Å²	117.4	69%	0.687	65%	0.652	S	S	*	*			trans	-106.2	55	-168	-157.2	174.7	-174.3	171.7	0	113.9	E38 Y40	E38-K49 PolarHBondContact O-N 2.92Å; Y40-K49 HydrophobicContact CE1-CD 4.5Å
50	C	32.2	Very low	32.9	Very low	100 Å²	100	122.3 Å²	122.3	68%	0.676	68%	0.676	S	S	*	*			trans	-101.5	129	172.9	55.4	0	0	0	0	112.4
51	G	29.6	Very low	32.2	Very low	75 Å²	75	127.6 Å²	127.6	77%	0.773	70%	0.695	S	S	*	*	S	Bend	trans	66	59.4	154.4	0	0	0	0	0	119.5	K53	G51-K53 PolarHBondContact O-N 3.38Å
52	A	30	Very low	32	Very low	107 Å²	107	126.1 Å²	126.1	88%	0.884	70%	0.701	S	S	*	*	S	Bend	trans	48.5	43.1	147.7	0	0	0	0	0	119.1
53	K	30.2	Very low	31.7	Very low	168 Å²	168	129 Å²	129	73%	0.73	72%	0.717	S	S	*	*			trans	-163	132.1	151.2	-110.7	164.3	-173	179.3	0	110.6	G51 H55	G51-K53 PolarHBondContact O-N 3.38Å; K53-H55 PolarHBondContact O-N 3.08Å
54	E	28.8	Very low	31.6	Very low	180 Å²	180	125.6 Å²	125.6	84%	0.841	71%	0.711	S	S	*	*			trans	-82.1	111.7	176.1	-67.8	178.9	168.5	0	0	109.7
55	H	29.5	Very low	31.6	Very low	134 Å²	134	124.7 Å²	124.7	62%	0.62	71%	0.713	S	S	*	*			trans	-133.8	127.2	176.1	-71.1	-39	0	0	0	109.9	K53 C57	K53-H55 PolarHBondContact O-N 3.08Å; H55-C57 PolarHBondContact O-N 3.06Å
56	P	31.5	Very low	31.6	Very low	117 Å²	117	127.2 Å²	127.2	76%	0.76	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-71	126.6	176.7	28.8	-33.2	0	0	0	110.2	Q58	P56-Q58 PolarHBondContact O-N 3.36Å
57	C	30.4	Very low	31.2	Very low	117 Å²	117	127.2 Å²	127.2	79%	0.791	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-64.9	131.3	172.4	-63.1	0	0	0	0	110.2	H55	H55-C57 PolarHBondContact O-N 3.06Å
58	Q	29.3	Very low	30.7	Very low	182 Å²	182	130.5 Å²	130.5	85%	0.85	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-61.6	136.1	-177.2	-70.9	-178	-32.2	0	0	112.2	P56	P56-Q58 PolarHBondContact O-N 3.36Å
59	P	36.3	Very low	30.2	Very low	116 Å²	116	133.8 Å²	133.8	75%	0.753	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-66.3	132	167.4	-17.6	31.1	0	0	0	110.8
60	L	26.8	Very low	29.7	Very low	159 Å²	159	129.4 Å²	129.4	83%	0.832	77%	0.772	S	S	*	*	S	Bend	trans	-67.4	133	166.3	-76.9	162.2	0	0	0	109.7
61	W	28.2	Very low	29.2	Very low	220 Å²	220	131.2 Å²	131.2	83%	0.833	78%	0.779	S	S	*	*			trans	73.8	75.4	177.3	-46.7	-17.8	0	0	0	116
62	C	28.8	Very low	29.1	Very low	110 Å²	110	135 Å²	135	74%	0.743	78%	0.781	S	S	*	*			trans	-128.6	136.4	152.7	-157.8	0	0	0	0	108.5
63	P	28.9	Very low	28.8	Very low	105 Å²	105	135.9 Å²	135.9	68%	0.682	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-66	162.1	168.2	29.6	-34.8	0	0	0	111
64	P	34.4	Very low	28.7	Very low	117 Å²	117	137.8 Å²	137.8	76%	0.76	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-61.5	146.3	-178.9	26	-35	0	0	0	111.8	T66	P64-T66 PolarHBondContact O-N 3.16Å
65	P	36	Very low	28.5	Very low	127 Å²	127	133.6 Å²	133.6	83%	0.825	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-73.2	124.3	-169.4	28.5	-34.9	0	0	0	112.5
66	T	30.8	Very low	28.4	Very low	129 Å²	129	133.4 Å²	133.4	79%	0.791	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-70.9	134.1	156.6	42	0	0	0	0	109.5	P64	P64-T66 PolarHBondContact O-N 3.16Å
67	P	27.2	Very low	28.1	Very low	111 Å²	111	137 Å²	137	72%	0.721	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-66.6	144.4	174.7	29.3	-34.1	0	0	0	110.4
68	C	28.1	Very low	27.7	Very low	129 Å²	129	139 Å²	139	87%	0.872	78%	0.779	S	S	*	*			trans	-109.5	108.3	168.7	-174.8	0	0	0	0	108	G70	C68-G70 PolarHBondContact O-N 3.13Å
69	D	23.8	Very low	27.6	Very low	149 Å²	149	136.7 Å²	136.7	80%	0.797	78%	0.781	S	S	*	*			trans	-76.4	119.8	-177.4	-71.5	-52.6	0	0	0	112.2
70	G	21.9	Very low	27.1	Very low	65 Å²	65	135.9 Å²	135.9	67%	0.67	78%	0.777	S	S	*	*			trans	60	134.5	138.7	0	0	0	0	0	121.3	C68	C68-G70 PolarHBondContact O-N 3.13Å
71	V	22.6	Very low	26.9	Very low	138 Å²	138	136.7 Å²	136.7	84%	0.836	78%	0.782	S	S	*	*			trans	73.3	124.6	165.2	-166.1	0	0	0	0	111.8
72	I	27.6	Very low	26.7	Very low	156 Å²	156	131.8 Å²	131.8	80%	0.8	78%	0.776	S	S	*	*				-133.2	142	58.2	-70.2	162.3	0	0	0	112.8
73	T	23.3	Very low	26.4	Very low	125 Å²	125	133 Å²	133	77%	0.767	78%	0.784	S	S	*	*			trans	-91.3	144.6	170.5	46.1	0	0	0	0	112.2
74	K	28.1	Very low	26.1	Very low	207 Å²	207	132.2 Å²	132.2	90%	0.9	79%	0.787	S	S	*	*			trans	-158.3	148.2	156.2	-116	165.7	-173.8	178.4	0	113.5
75	D	25.6	Very low	25.7	Very low	93 Å²	93	132.3 Å²	132.3	50%	0.497	79%	0.788	S	S	.	*			trans	-64.2	131.8	-168	-171.3	-26.3	0	0	0	113.5	R77	D75-R77 PolarHBondContact O-N 2.86Å; D75-R77 VanDerWaalsContact O-N 3.16Å; D75-R77 WeakPolarHBondContact OD1-CB 3.47Å; D75-R77 IonicContact OD1-CZ 3.76Å; D75-R77 PolarHBondContact OD1-N 3.29Å; D75-R77 IonicContact OD1-NE 3.65Å; D75-R77 PolarHBondContact OD1-NE 2.93Å; D75-R77 VanDerWaalsContact OD1-NE 3.08Å; D75-R77 IonicContact OD1-NH2 2.96Å; D75-R77 IonicContact OD2-CZ 2.66Å; D75-R77 IonicContact OD2-NE 2.78Å; D75-R77 IonicContact OD2-NH2 2.61Å; D75-R77 PolarHBondContact OD2-NH2 2.77Å
76	P	26.5	Very low	25.1	Very low	130 Å²	130	132.5 Å²	132.5	84%	0.844	79%	0.792	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.9	17.3	179.8	34.2	-38.5	0	0	0	115.5
77	R	24.7	Very low	24.7	Very low	192 Å²	192	132 Å²	132	73%	0.725	79%	0.788	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.9	15.2	-175.3	-69.7	175.5	-64.6	177.2	5.3	116.7	D75	D75-R77 PolarHBondContact O-N 2.86Å; D75-R77 VanDerWaalsContact O-N 3.16Å; D75-R77 WeakPolarHBondContact OD1-CB 3.47Å; D75-R77 IonicContact OD1-CZ 3.76Å; D75-R77 PolarHBondContact OD1-N 3.29Å; D75-R77 IonicContact OD1-NE 3.65Å; D75-R77 PolarHBondContact OD1-NE 2.93Å; D75-R77 VanDerWaalsContact OD1-NE 3.08Å; D75-R77 IonicContact OD1-NH2 2.96Å; D75-R77 IonicContact OD2-CZ 2.66Å; D75-R77 IonicContact OD2-NE 2.78Å; D75-R77 IonicContact OD2-NH2 2.61Å; D75-R77 PolarHBondContact OD2-NH2 2.77Å
78	N	23.4	Very low	24.5	Very low	159 Å²	159	133.8 Å²	133.8	85%	0.85	79%	0.791	S	S	*	*			trans	-150.7	89.6	167.8	-96.2	-47.3	0	0	0	111.8
79	C	26.5	Very low	24.4	Very low	133 Å²	133	133.4 Å²	133.4	90%	0.899	78%	0.78	S	S	*	*			trans	-154.3	151.7	158.1	-118.7	0	0	0	0	110.4
80	C	25.1	Very low	24.4	Very low	99 Å²	99	130.3 Å²	130.3	67%	0.669	78%	0.783	S	S	*	*			trans	-65.2	159.6	-165.6	53	0	0	0	0	117	V82	C80-V82 HydrophobicContact CB-CG2 4.37Å; C80-V82 PolarHBondContact O-N 3.49Å
81	D	23.8	Very low	24.7	Very low	176 Å²	176	136.3 Å²	136.3	94%	0.941	79%	0.79	S	S	*	*	S	Bend	trans	-64.9	56.5	173	-61.3	-77.6	0	0	0	114.8
82	V	24.3	Very low	24.9	Very low	117 Å²	117	136.8 Å²	136.8	71%	0.709	79%	0.793	S	S	*	*			trans	-135	54	179.6	-163.8	0	0	0	0	111	C80	C80-V82 HydrophobicContact CB-CG2 4.37Å; C80-V82 PolarHBondContact O-N 3.49Å
83	C	22.8	Very low	25	Very low	135 Å²	135	134.9 Å²	134.9	91%	0.912	78%	0.784	S	S	*	*			trans	-166.9	81.7	162.8	-116.3	0	0	0	0	112.3
84	A	22.7	Very low	25.4	Very low	90 Å²	90	134.4 Å²	134.4	74%	0.744	78%	0.777	S	S	*	*			trans	-105.4	118	167	0	0	0	0	0	109.4	S86	A84-S86 PolarHBondContact O-N 3.34Å; A84-S86 VanDerWaalsContact O-N 3.16Å
85	P	24	Very low	25.7	Very low	119 Å²	119	129.3 Å²	129.3	77%	0.773	76%	0.759	S	S	*	*			trans	-71.3	111.7	-174	27.5	-33.6	0	0	0	111.3	V87	P85-V87 PolarHBondContact O-N 3.35Å
86	S	23.5	Very low	26.1	Very low	130 Å²	130	127.9 Å²	127.9	91%	0.909	76%	0.755	S	S	*	*			trans	-79.4	87	178.1	-64	0	0	0	0	111.2	A84	A84-S86 PolarHBondContact O-N 3.34Å; A84-S86 VanDerWaalsContact O-N 3.16Å
87	V	22.7	Very low	26.6	Very low	118 Å²	118	126.5 Å²	126.5	72%	0.715	74%	0.74	S	S	*	*			trans	-89.1	152.2	172.6	176.1	0	0	0	0	109.8	P85	P85-V87 PolarHBondContact O-N 3.35Å
88	L	23.2	Very low	27.3	Very low	149 Å²	149	124.6 Å²	124.6	78%	0.78	74%	0.737	S	S	*	*			trans	66.8	90.3	-179.7	-67.6	149.7	0	0	0	116.5
89	L	26.8	Very low	27.9	Very low	122 Å²	122	120 Å²	120	64%	0.639	71%	0.712	S	S	*	*				-171.8	148.7	98	-95.2	167.1	0	0	0	110.4	K91	L89-K91 PolarHBondContact O-N 2.77Å
90	G	24.5	Very low	28.5	Very low	83 Å²	83	118.9 Å²	118.9	86%	0.856	70%	0.695	S	S	*	*			trans	-68.4	113.1	-164.7	0	0	0	0	0	114.9
91	K	27.3	Very low	29.2	Very low	191 Å²	191	123.1 Å²	123.1	83%	0.83	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-100.5	141.9	155.1	-74.3	-174.2	175.5	-177.3	0	109.5	L89 L93	L89-K91 PolarHBondContact O-N 2.77Å; K91-L93 PolarHBondContact O-N 2.93Å
92	V	26.9	Very low	29.9	Very low	148 Å²	148	122.8 Å²	122.8	90%	0.897	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-64.8	119	167.5	179.5	0	0	0	0	107.8
93	L	30.1	Very low	30.2	Very low	117 Å²	117	120.5 Å²	120.5	61%	0.613	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-81.6	148.7	-176.6	-91.2	165.8	0	0	0	112.2	K91 L95	K91-L93 PolarHBondContact O-N 2.93Å; L93-L95 PolarHBondContact O-N 3.35Å
94	N	31.5	Very low	30.6	Very low	115 Å²	115	123.4 Å²	123.4	62%	0.615	68%	0.684	S	S	*	*			trans	-74.3	62.9	-172.2	-78.9	-35.5	0	0	0	114.1	P96 L97	N94-P96 VanDerWaalsContact C-CD 3.4Å; N94-P96 VanDerWaalsContact C-N 3.35Å; N94-L97 HydrophobicContact CB-CB 4.37Å; N94-L97 HydrophobicContact CB-CD1 4.06Å; N94-L97 PolarHBondContact O-N 3.34Å
95	L	34.9	Very low	31.2	Very low	100 Å²	100	122.1 Å²	122.1	52%	0.524	66%	0.664	S	S	.	*	H	α-helix	trans	-54.4	-38.6	175.2	-165.5	67.9	0	0	0	114.1	L93 L97 L108	L93-L95 PolarHBondContact O-N 3.35Å; L95-L97 PolarHBondContact O-N 2.71Å; L95-L108 HydrophobicContact CD2-CD2 4.15Å
96	P	33.7	Very low	31.8	Very low	63 Å²	63	118.2 Å²	118.2	41%	0.409	64%	0.64	S	S	.	*	H	α-helix	trans	-64	-37.7	179.8	-24.3	35.6	0	0	0	114.3	N94 F98 L99 M100	N94-P96 VanDerWaalsContact C-CD 3.4Å; N94-P96 VanDerWaalsContact C-N 3.35Å; P96-F98 PolarHBondContact O-N 2.85Å; P96-L99 PolarHBondContact O-N 3.15Å; P96-M100 HydrophobicContact CB-CE 4.02Å; P96-M100 PolarHBondContact O-N 2.89Å
97	L	37.1	Very low	32.2	Very low	101 Å²	101	116.3 Å²	116.3	53%	0.529	62%	0.619	S	S	.	*	H	α-helix	trans	-70.6	-30.8	-172.9	-84.6	163.5	0	0	0	113.3	N94 L95 K101	N94-L97 HydrophobicContact CB-CB 4.37Å; N94-L97 HydrophobicContact CB-CD1 4.06Å; N94-L97 PolarHBondContact O-N 3.34Å; L95-L97 PolarHBondContact O-N 2.71Å; L97-K101 PolarHBondContact O-N 3.17Å
98	F	38.9	Very low	32.7	Very low	151 Å²	151	113.2 Å²	113.2	66%	0.662	60%	0.598	S	S	*	*	H	α-helix	trans	-72.9	-39.4	176.5	-173.3	-102.9	0	0	0	112.1	P96	P96-F98 PolarHBondContact O-N 2.85Å
99	L	36.2	Very low	33.2	Very low	63 Å²	63	111.3 Å²	111.3	33%	0.33	59%	0.585	S	S	.	*	H	α-helix	trans	-72.6	-41.8	179.4	-67	171.5	0	0	0	111.9	P96 K101 K102 I105	P96-L99 PolarHBondContact O-N 3.15Å; L99-K101 VanDerWaalsContact C-N 3.3Å; L99-K101 PolarHBondContact O-N 3.46Å; L99-K102 PolarHBondContact O-N 2.7Å; L99-I105 HydrophobicContact CB-CD1 4.48Å; L99-I105 HydrophobicContact CD1-CD1 4.29Å; L99-I105 HydrophobicContact CD2-CD1 4.39Å
100	M	38.6	Very low	33.4	Very low	109 Å²	109	110.8 Å²	110.8	54%	0.537	58%	0.583	S	S	.	*	H	α-helix	trans	-60.6	-36.9	174.1	-79.7	-165.1	-97	0	0	112.6	P96 K102 G103	P96-M100 HydrophobicContact CB-CE 4.02Å; P96-M100 PolarHBondContact O-N 2.89Å; M100-K102 PolarHBondContact O-N 3.32Å; M100-G103 PolarHBondContact O-N 3.09Å
101	K	40.2	Very low	33.7	Very low	188 Å²	188	113.4 Å²	113.4	82%	0.817	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.7	-6.9	177.1	-96.8	-173.7	173.9	-179.4	0	115.4	L97 L99	L97-K101 PolarHBondContact O-N 3.17Å; L99-K101 VanDerWaalsContact C-N 3.3Å; L99-K101 PolarHBondContact O-N 3.46Å
102	K	38.2	Very low	33.9	Very low	169 Å²	169	107.2 Å²	107.2	74%	0.735	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.4	7.6	170.3	-75.1	-165.5	173.7	-174.4	0	114.7	L99 M100 R104	L99-K102 PolarHBondContact O-N 2.7Å; M100-K102 PolarHBondContact O-N 3.32Å; K102-R104 VanDerWaalsContact C-N 3.35Å; K102-R104 PolarHBondContact O-N 3.11Å
103	G	29.7	Very low	34.1	Very low	69 Å²	69	108.1 Å²	108.1	71%	0.711	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	62.5	29.2	164.1	0	0	0	0	0	116.5	M100	M100-G103 PolarHBondContact O-N 3.09Å
104	R	32	Very low	34.3	Very low	197 Å²	197	107.8 Å²	107.8	74%	0.743	57%	0.566	S	S	*	*	S	Bend	trans	-124.4	1.7	-176.8	-73.6	-170.8	179.9	-165.8	0.3	115.9	K102	K102-R104 VanDerWaalsContact C-N 3.35Å; K102-R104 PolarHBondContact O-N 3.11Å
105	I	34.7	Very low	34.3	Very low	62 Å²	62	104.3 Å²	104.3	32%	0.318	56%	0.558	S	S	.	*			trans	-142.5	132.8	176.7	-56.5	178.6	0	0	0	107.1	L99 D107	L99-I105 HydrophobicContact CB-CD1 4.48Å; L99-I105 HydrophobicContact CD1-CD1 4.29Å; L99-I105 HydrophobicContact CD2-CD1 4.39Å; I105-D107 WeakPolarHBondContact CG2-O 3.42Å
106	S	36.4	Very low	34.4	Very low	38 Å²	38	109.1 Å²	109.1	27%	0.266	58%	0.578	S	S	.	*	S	Bend	trans	-89	-41.9	173.5	64.4	0	0	0	0	112.5
107	D	33	Very low	34.3	Very low	90 Å²	90	116 Å²	116	48%	0.481	60%	0.595	S	S	.	*			trans	-139.8	150.5	-170.6	-60.8	-86.8	0	0	0	111.1	I105	I105-D107 WeakPolarHBondContact CG2-O 3.42Å
108	L	32.7	Very low	34.1	Very low	52 Å²	52	115.3 Å²	115.3	27%	0.272	59%	0.589	S	S	.	*			trans	-130.7	103.9	178.5	180	71.7	0	0	0	109.8	L95 L123	L95-L108 HydrophobicContact CD2-CD2 4.15Å; L108-L123 HydrophobicContact CD1-CD2 3.87Å; L108-L123 HydrophobicContact CD1-CG 4.38Å
109	H	33.2	Very low	33.9	Very low	109 Å²	109	111.7 Å²	111.7	51%	0.505	58%	0.576	S	S	.	*			trans	-88.7	125.2	174.4	-63.6	-78.1	0	0	0	110.8	F124	H109-F124 HydrophobicContact CB-CD2 4.33Å
110	L	30.7	Very low	33.7	Very low	112 Å²	112	110.4 Å²	110.4	59%	0.586	57%	0.572	S	S	*	*			trans	-112.5	101.3	171.2	-73.5	170.3	0	0	0	109
111	M	31	Very low	33.5	Very low	138 Å²	138	108.6 Å²	108.6	68%	0.68	57%	0.565	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-99.3	109.6	169	-63.3	-165.6	80.2	0	0	109.3
112	G	32.4	Very low	33.2	Very low	60 Å²	60	101.5 Å²	101.5	62%	0.619	54%	0.537	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.9	113.1	173.2	0	0	0	0	0	110.7
113	Q	31.1	Very low	32.9	Very low	167 Å²	167	97.8 Å²	97.8	78%	0.78	53%	0.525	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.4	117.1	171.2	-170.4	172.7	7.4	0	0	109.3	G115	Q113-G115 PolarHBondContact O-N 3.29Å
114	S	33.4	Very low	33.1	Very low	111 Å²	111	99.3 Å²	99.3	78%	0.776	51%	0.512	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.3	103.8	-180	-177.6	0	0	0	0	110.9
115	G	32.9	Very low	33	Very low	42 Å²	42	92.8 Å²	92.8	43%	0.433	50%	0.496	S	S	.	.			trans	-84.7	164.7	154	0	0	0	0	0	110.3	Q113 R117 E118	Q113-G115 PolarHBondContact O-N 3.29Å; G115-R117 PolarHBondContact O-N 3.33Å; G115-E118 PolarHBondContact N-O 3.12Å
116	E	37.1	Very low	33	Very low	201 Å²	201	94.2 Å²	94.2	94%	0.939	51%	0.511	S	S	*	.	S	Bend	trans	-61.8	-13.1	-173.8	-63.9	-171.6	143	0	0	115.4
117	R	31.7	Very low	32.7	Very low	207 Å²	207	98 Å²	98	78%	0.781	54%	0.536	S	S	*	.	S	Bend	trans	-141.4	-3.6	-177.5	-63.1	-171.4	178.6	177.8	-0.2	116.2	V36 G115	V36-R117 PolarHBondContact N-O 3.25Å; G115-R117 PolarHBondContact O-N 3.33Å
118	E	32.1	Very low	32.5	Very low	87 Å²	87	104 Å²	104	41%	0.407	55%	0.552	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-140.5	148.7	-172.8	-64.1	-168.3	160.3	0	0	112.1	T33 K35 G115	T33-E118 HydrophobicContact CG2-CB 4.25Å; K35-E118 WeakPolarHBondContact CE-OE1 3.36Å; K35-E118 HydrophobicContact CG-CG 4.15Å; G115-E118 PolarHBondContact N-O 3.12Å
119	I	34.7	Very low	32.4	Very low	74 Å²	74	106 Å²	106	38%	0.379	57%	0.57	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-120.6	118.3	171	-63.9	169.5	0	0	0	107.5	V34 V36 L121	V34-I119 PolarHBondContact N-O 3.09Å; V34-I119 VanDerWaalsContact N-O 3.15Å; V34-I119 PolarHBondContact O-N 3.11Å; V34-I119 VanDerWaalsContact O-N 3.11Å; V36-I119 HydrophobicContact CG2-CD1 3.9Å; V36-I119 HydrophobicContact CG2-CG1 3.82Å; I119-L121 HydrophobicContact CG2-CD2 4.14Å; I119-L121 HydrophobicContact CG2-CG 4.28Å
120	S	32.6	Very low	32.2	Very low	36 Å²	36	108.4 Å²	108.4	25%	0.252	59%	0.585	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-80.7	136.4	163.5	-65.9	0	0	0	0	109.6
121	L	33.6	Very low	32.1	Very low	72 Å²	72	110.7 Å²	110.7	38%	0.377	60%	0.598	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-117.8	125	168.1	-66.6	174.5	0	0	0	108.6	S32 I119	S32-L121 PolarHBondContact O-N 2.61Å; I119-L121 HydrophobicContact CG2-CD2 4.14Å; I119-L121 HydrophobicContact CG2-CG 4.28Å
122	T	34	Very low	31.9	Very low	39 Å²	39	108.2 Å²	108.2	24%	0.239	61%	0.608	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-118.8	119.9	175.4	-48.2	0	0	0	0	108.4	F124	T122-F124 HydrophobicContact CG2-CD2 4.3Å; T122-F124 HydrophobicContact CG2-CE1 4.11Å; T122-F124 HydrophobicContact CG2-CE2 3.6Å; T122-F124 HydrophobicContact CG2-CZ 3.5Å
123	L	32.2	Very low	31.7	Very low	91 Å²	91	109 Å²	109	48%	0.476	62%	0.616	S	S	.	*			trans	-89.7	144	168.4	-76.5	93.6	0	0	0	109.9	L108	L108-L123 HydrophobicContact CD1-CD2 3.87Å; L108-L123 HydrophobicContact CD1-CG 4.38Å
124	F	33.3	Very low	31.4	Very low	101 Å²	101	110.2 Å²	110.2	44%	0.443	62%	0.619	S	S	.	*			trans	-127	138.7	169.7	-60.1	-87.8	0	0	0	108.6	H109 T122	H109-F124 HydrophobicContact CB-CD2 4.33Å; T122-F124 HydrophobicContact CG2-CD2 4.3Å; T122-F124 HydrophobicContact CG2-CE1 4.11Å; T122-F124 HydrophobicContact CG2-CE2 3.6Å; T122-F124 HydrophobicContact CG2-CZ 3.5Å
125	S	31	Very low	31.1	Very low	59 Å²	59	113.1 Å²	113.1	41%	0.413	62%	0.62	S	S	.	*			trans	-114.6	120.6	168.5	51.9	0	0	0	0	108.9
126	C	34.8	Very low	30.8	Very low	93 Å²	93	116 Å²	116	63%	0.628	63%	0.631	S	S	*	*			trans	-96	136.1	171.5	-160.2	0	0	0	0	109.6
127	C	29.7	Very low	30.3	Very low	116 Å²	116	115.1 Å²	115.1	78%	0.784	62%	0.624	S	S	*	*			trans	-94.7	139.6	174.2	-162.2	0	0	0	0	109.6	S129	C127-S129 PolarHBondContact O-N 3.16Å
128	R	28.8	Very low	30.1	Very low	216 Å²	216	116.4 Å²	116.4	82%	0.815	63%	0.629	S	S	*	*			trans	-75.8	107.2	178.9	-77.2	-174.2	173.2	-173.8	-1.7	111.1
129	S	30.4	Very low	29.6	Very low	94 Å²	94	115.8 Å²	115.8	66%	0.657	65%	0.646	S	S	*	*			trans	-88.5	157.1	149.8	63.9	0	0	0	0	109.9	C127	C127-S129 PolarHBondContact O-N 3.16Å
130	I	28.3	Very low	29.6	Very low	161 Å²	161	117.8 Å²	117.8	83%	0.826	66%	0.664	S	S	*	*	S	Bend	trans	-94.9	97.4	179	-61.5	173	0	0	0	108.5
131	N	30.3	Very low	29.2	Very low	159 Å²	159	123.9 Å²	123.9	85%	0.85	69%	0.693	S	S	*	*			trans	-176.6	145.7	139.6	-91.2	-31	0	0	0	110.1
132	G	26.4	Very low	28.7	Very low	86 Å²	86	126.1 Å²	126.1	89%	0.887	71%	0.705	S	S	*	*			trans	-91.7	136	-173	0	0	0	0	0	113.9
133	G	26.6	Very low	28.3	Very low	76 Å²	76	134.1 Å²	134.1	78%	0.784	73%	0.731	S	S	*	*			trans	-178.9	122.3	169.9	0	0	0	0	0	111.2
134	F	25.3	Very low	28	Very low	194 Å²	194	135.5 Å²	135.5	85%	0.851	75%	0.748	S	S	*	*			trans	-128.5	116.1	-176.8	-158.3	-83.1	0	0	0	110.3
135	H	27	Very low	27.5	Very low	172 Å²	172	137.2 Å²	137.2	80%	0.796	77%	0.771	S	S	*	*			trans	-117.4	126.1	179.4	-83.2	-71.5	0	0	0	111.3
136	P	26.4	Very low	27.2	Very low	103 Å²	103	137.6 Å²	137.6	67%	0.669	78%	0.784	S	S	*	*			trans	-98	128.6	-179.3	34.8	-31.8	0	0	0	113.9
137	F	28.2	Very low	26.8	Very low	182 Å²	182	138.7 Å²	138.7	80%	0.798	79%	0.793	S	S	*	*			trans	-126.7	122.7	161.9	-78.6	-95.5	0	0	0	107.9
138	R	25.9	Very low	26.6	Very low	234 Å²	234	139.4 Å²	139.4	88%	0.883	80%	0.798	S	S	*	*				58.9	104.1	74.8	-70.5	-167.6	176.8	-161.2	1.5	113.7
139	G	22.8	Very low	26.5	Very low	73 Å²	73	140 Å²	140	75%	0.753	80%	0.8	S	S	*	*			trans	-92.4	-155.5	157.1	0	0	0	0	0	111.6
140	P	33.8	Very low	26.5	Very low	117 Å²	117	142.1 Å²	142.1	76%	0.76	81%	0.809	S	S	*	*			cis	-135.4	-179	7.4	42.8	-26	0	0	0	115.9
141	L	23.7	Very low	26.5	Very low	164 Å²	164	138.8 Å²	138.8	86%	0.859	80%	0.8	S	S	*	*			trans	25.7	128.4	149.3	-61.8	167.3	0	0	0	118.7
142	D	24.6	Very low	26.3	Very low	119 Å²	119	137.3 Å²	137.3	64%	0.636	80%	0.797	S	S	*	*				176.1	163.7	59.3	-166.5	14.2	0	0	0	111.8
143	R	24.1	Very low	26.5	Very low	207 Å²	207	139.3 Å²	139.3	78%	0.781	80%	0.797	S	S	*	*			trans	34.6	129.5	160.4	-77.6	158.7	-136.7	-115.9	-3.4	124.8
144	S	26.2	Very low	26.3	Very low	120 Å²	120	141.5 Å²	141.5	84%	0.839	80%	0.799	S	S	*	*				119.3	119.2	121.8	71.2	0	0	0	0	121.3
145	C	22.5	Very low	26.5	Very low	136 Å²	136	137.5 Å²	137.5	92%	0.919	79%	0.793	S	S	*	*			trans	-5.5	136.5	158.2	-164.7	0	0	0	0	121.2
146	G	26.6	Very low	26.6	Very low	67 Å²	67	140.4 Å²	140.4	69%	0.691	80%	0.797	S	S	*	*			trans	-170.2	63.4	172.4	0	0	0	0	0	117.4
147	S	25.8	Very low	26.6	Very low	116 Å²	116	140 Å²	140	81%	0.811	80%	0.796	S	S	*	*			trans	33.8	123.6	155.4	61.1	0	0	0	0	122.7
148	C	24.8	Very low	26.4	Very low	132 Å²	132	138.1 Å²	138.1	89%	0.892	80%	0.799	S	S	*	*			trans	-141.2	164.4	135.3	-160.1	0	0	0	0	110.1
149	R	26.7	Very low	26.4	Very low	227 Å²	227	133.2 Å²	133.2	86%	0.857	80%	0.795	S	S	*	*			trans	-136.2	175.2	-173.4	-77.8	-175.1	170.5	-170.3	-1	111.2
150	V	29.8	Very low	26.4	Very low	140 Å²	140	135.9 Å²	135.9	85%	0.848	80%	0.797	S	S	*	*			trans	79.6	128.1	167.7	-171.9	0	0	0	0	113.3
151	S	29.2	Very low	26.4	Very low	91 Å²	91	135.7 Å²	135.7	64%	0.636	80%	0.795	S	S	*	*			cis	-161.5	150.3	-10.3	48.8	0	0	0	0	114.3
152	T	26.9	Very low	26.4	Very low	128 Å²	128	132.2 Å²	132.2	79%	0.785	79%	0.785	S	S	*	*			trans	48.3	110.6	146	56	0	0	0	0	121.6
153	S	29.8	Very low	26.4	Very low	128 Å²	128	134.9 Å²	134.9	90%	0.895	79%	0.791	S	S	*	*				-169.7	147.5	109.4	44.7	0	0	0	0	113
154	C	21.3	Very low	26.3	Very low	121 Å²	121	132 Å²	132	82%	0.818	79%	0.79	S	S	*	*			trans	-172.3	145.9	-175.2	-161.1	0	0	0	0	104.4
155	P	31.5	Very low	26.8	Very low	111 Å²	111	131.7 Å²	131.7	72%	0.721	79%	0.785	S	S	*	*			cis	-155.7	173.8	49.4	43.5	-22.5	0	0	0	119.3
156	R	27	Very low	26.8	Very low	233 Å²	233	129.5 Å²	129.5	88%	0.879	78%	0.777	S	S	*	*			trans	-175.7	105.7	133.1	-102	167.1	-165.7	-151.3	2.7	109.7
157	S	27.7	Very low	26.7	Very low	95 Å²	95	132.1 Å²	132.1	66%	0.664	78%	0.78	S	S	*	*				78.6	94.1	97.6	68.5	0	0	0	0	113.4
158	V	24.2	Very low	26.5	Very low	141 Å²	141	132.3 Å²	132.3	86%	0.855	78%	0.776	S	S	*	*				85.6	117.3	81.3	163	0	0	0	0	113.4
159	V	24.7	Very low	26.8	Very low	131 Å²	131	137.3 Å²	137.3	79%	0.794	78%	0.778	S	S	*	*			trans	-172.3	145	131.9	145.5	0	0	0	0	107.9
160	T	23.2	Very low	26.8	Very low	130 Å²	130	130.2 Å²	130.2	80%	0.798	77%	0.767	S	S	*	*			trans	-130	-165.7	178.9	59.4	0	0	0	0	110.1
161	P	35.1	Very low	26.6	Very low	112 Å²	112	131.2 Å²	131.2	73%	0.727	77%	0.768	S	S	*	*				-130.9	-165.4	-108.6	39	-18.1	0	0	0	116.3
162	S	22.1	Very low	26.7	Very low	91 Å²	91	132.1 Å²	132.1	64%	0.636	77%	0.772	S	S	*	*			trans	99.8	157.2	146.8	73.8	0	0	0	0	122.8
163	F	25.7	Very low	26.8	Very low	175 Å²	175	131.3 Å²	131.3	77%	0.768	77%	0.769	S	S	*	*			trans	72.6	129.5	176.6	-59.4	-84	0	0	0	118.2
164	I	21.9	Very low	27.1	Very low	147 Å²	147	130.8 Å²	130.8	75%	0.754	76%	0.763	S	S	*	*			cis	80.9	130.7	27.6	-53.6	168.8	0	0	0	113.2
165	P	35.4	Very low	28	Very low	113 Å²	113	129.6 Å²	129.6	73%	0.734	75%	0.753	S	S	*	*			cis	-141.2	-173.8	-24.3	42.9	-24.2	0	0	0	116.6
166	A	22.5	Very low	27.7	Very low	91 Å²	91	134.5 Å²	134.5	75%	0.752	76%	0.759	S	S	*	*			trans	68.5	168	153.7	0	0	0	0	0	119.4
167	T	24.7	Very low	27.6	Very low	122 Å²	122	127.9 Å²	127.9	75%	0.748	75%	0.748	S	S	*	*			cis	-148	150	10.7	21.2	0	0	0	0	114.4
168	T	23.3	Very low	27.4	Very low	119 Å²	119	131.8 Å²	131.8	73%	0.73	76%	0.758	S	S	*	*			trans	47.9	129.2	144.8	60.8	0	0	0	0	124.8
169	Y	29.1	Very low	27.5	Very low	237 Å²	237	129.6 Å²	129.6	93%	0.929	76%	0.755	S	S	*	*			trans	-170	164	132.1	-105.9	-71.7	0	0	0	110.4
170	A	28.4	Very low	27.4	Very low	78 Å²	78	129.5 Å²	129.5	65%	0.645	75%	0.754	S	S	*	*				-146.5	134	-86.6	0	0	0	0	0	114.1
171	D	24.1	Very low	27.4	Very low	161 Å²	161	131.9 Å²	131.9	86%	0.861	76%	0.758	S	S	*	*			trans	58.5	159.3	145.5	-70.8	-24.9	0	0	0	126.5
172	P	32.4	Very low	26.8	Very low	110 Å²	110	133 Å²	133	71%	0.714	76%	0.763	S	S	*	*			trans	-111	-152.4	-168.1	45.9	-33.8	0	0	0	112.7
173	P	29.3	Very low	27.4	Very low	112 Å²	112	133.3 Å²	133.3	73%	0.727	76%	0.763	S	S	*	*			cis	-140	177.9	-2.6	43.3	-23.4	0	0	0	118.9
174	P	35.9	Very low	27.4	Very low	117 Å²	117	134.6 Å²	134.6	76%	0.76	77%	0.768	S	S	*	*			trans	-92	-166.4	164.4	41.4	-38.5	0	0	0	112.1
175	P	39.1	Very low	27.7	Very low	96 Å²	96	131.5 Å²	131.5	62%	0.623	77%	0.765	S	S	*	*			cis	-137.2	-137	5.1	45.9	-25.2	0	0	0	115.2
176	Y	26.5	Very low	27.5	Very low	214 Å²	214	132.5 Å²	132.5	84%	0.839	77%	0.771	S	S	*	*			trans	85.7	150.4	173.6	-60.8	-66.5	0	0	0	118.2
177	S	24.2	Very low	27.6	Very low	93 Å²	93	140.2 Å²	140.2	65%	0.65	78%	0.781	S	S	*	*			cis	-165.7	155.2	-14.4	48.8	0	0	0	0	115.4
178	M	23	Very low	27.6	Very low	178 Å²	178	137.8 Å²	137.8	88%	0.877	78%	0.78	S	S	*	*			trans	32.8	129.3	148.7	-62.1	-167.3	-64	0	0	125.5
179	A	26.6	Very low	27.7	Very low	95 Å²	95	139.3 Å²	139.3	79%	0.785	79%	0.789	S	S	*	*				171	118.7	120.7	0	0	0	0	0	109.4
180	V	22.1	Very low	27.5	Very low	128 Å²	128	131.9 Å²	131.9	78%	0.776	78%	0.776	S	S	*	*				75.1	98.9	58.1	-179.2	0	0	0	0	114.7
181	M	24	Very low	27.5	Very low	181 Å²	181	135 Å²	135	89%	0.892	78%	0.783	S	S	*	*				177.5	162.3	126.7	-93.6	-155.2	-175.5	0	0	113.8
182	V	21.6	Very low	27.7	Very low	135 Å²	135	135.4 Å²	135.4	82%	0.818	78%	0.784	S	S	*	*			trans	-158.4	157.3	-171.3	175.2	0	0	0	0	107.4
183	P	35.4	Very low	27.3	Very low	98 Å²	98	138.9 Å²	138.9	64%	0.636	79%	0.793	S	S	*	*			cis	-120	-172.7	-23.4	37.7	-22	0	0	0	112.1
184	F	26.2	Very low	27.3	Very low	202 Å²	202	138.5 Å²	138.5	89%	0.886	80%	0.8	S	S	*	*				174.6	162.1	118.5	-109.3	-82.1	0	0	0	111.9
185	A	27.7	Very low	26.8	Very low	82 Å²	82	138.7 Å²	138.7	68%	0.678	80%	0.799	S	S	*	*			trans	-126.4	152.4	167.4	0	0	0	0	0	110.1
186	P	31.3	Very low	26.2	Very low	133 Å²	133	145.4 Å²	145.4	86%	0.864	81%	0.814	S	S	*	*				-143.8	-178.1	125.1	36.5	-20.6	0	0	0	115.2
187	R	24.1	Very low	26.2	Very low	253 Å²	253	140.6 Å²	140.6	96%	0.955	81%	0.811	S	S	*	*			trans	-75.8	160.2	-174.5	-53.5	164.2	174.8	166.6	-4.5	113.5
188	G	24.5	Very low	26.2	Very low	71 Å²	71	140.5 Å²	140.5	73%	0.732	82%	0.816	S	S	*	*			trans	175	68.9	159.1	0	0	0	0	0	122.5
189	V	25.4	Very low	26.5	Very low	151 Å²	151	137.4 Å²	137.4	92%	0.915	81%	0.809	S	S	*	*			trans	69.9	147.5	138	179.5	0	0	0	0	121.5
190	A	25.8	Very low	26.6	Very low	81 Å²	81	138.7 Å²	138.7	67%	0.669	81%	0.809	S	S	*	*			trans	97.4	124.4	158.7	0	0	0	0	0	121.2
191	N	27.7	Very low	26.8	Very low	145 Å²	145	138 Å²	138	78%	0.775	81%	0.808	S	S	*	*			trans	58.3	98.9	145.9	-59	-4.6	0	0	0	120.6
192	N	28.7	Very low	27	Very low	168 Å²	168	134.9 Å²	134.9	90%	0.898	80%	0.801	S	S	*	*				-148	142.3	95.4	-110.3	-27	0	0	0	112.4
193	M	24.5	Very low	27.1	Very low	183 Å²	183	139.4 Å²	139.4	90%	0.901	81%	0.805	S	S	*	*			trans	-90.9	131.9	174.3	-71.3	178.5	170.1	0	0	110.1
194	A	28.8	Very low	26.6	Very low	104 Å²	104	142.9 Å²	142.9	86%	0.86	82%	0.817	S	S	*	*			trans	-145.3	89.9	163.8	0	0	0	0	0	109.1
195	T	25	Very low	26.4	Very low	122 Å²	122	139.1 Å²	139.1	75%	0.748	81%	0.814	S	S	*	*			trans	-75.1	123.7	176.9	47.3	0	0	0	0	111.2
196	Y	27.6	Very low	26.4	Very low	237 Å²	237	139.2 Å²	139.2	93%	0.929	82%	0.816	S	S	*	*			trans	-142.2	108.2	150.5	-97	-72.8	0	0	0	110.7
197	S	26.3	Very low	26	Very low	113 Å²	113	138.1 Å²	138.1	79%	0.79	81%	0.811	S	S	*	*			trans	-90.8	162.9	163.5	-65.2	0	0	0	0	109.6
198	A	24.6	Very low	26.1	Very low	90 Å²	90	137.6 Å²	137.6	74%	0.744	81%	0.809	S	S	*	*			trans	-62.7	164.5	-176.6	0	0	0	0	0	113.6
199	P	27.7	Very low	26.1	Very low	114 Å²	114	140.5 Å²	140.5	74%	0.74	81%	0.812	S	S	*	*				-137.4	155.1	90	39	-29.3	0	0	0	115
200	P	29.8	Very low	26.2	Very low	121 Å²	121	138.4 Å²	138.4	79%	0.786	80%	0.804	S	S	*	*			trans	-90	133.1	163.7	34.5	-30.2	0	0	0	111.8
201	P	27.2	Very low	26.1	Very low	114 Å²	114	146.1 Å²	146.1	74%	0.74	82%	0.816	S	S	*	*			trans	-131.8	158.7	166.1	39	-26.5	0	0	0	113.8
202	P	28.1	Very low	26.1	Very low	116 Å²	116	144.1 Å²	144.1	75%	0.753	81%	0.813	S	S	*	*			cis	-132.3	172	-40.4	38.6	-24.7	0	0	0	112.4	L204	P202-L204 PolarHBondContact O-N 2.83Å
203	Y	23.7	Very low	26	Very low	230 Å²	230	140 Å²	140	90%	0.902	80%	0.803	S	S	*	*			trans	-66.2	123.2	167.4	-81.4	-101.1	0	0	0	111.1	C205	Y203-C205 VanDerWaalsContact C-N 3.31Å; Y203-C205 PolarHBondContact O-N 3.3Å; Y203-C205 VanDerWaalsContact O-N 3.12Å
204	L	24.3	Very low	26.2	Very low	170 Å²	170	138.5 Å²	138.5	89%	0.89	80%	0.798	S	S	*	*			trans	-83.5	73.1	166.8	-90.1	168.7	0	0	0	111.2	P202	P202-L204 PolarHBondContact O-N 2.83Å
205	C	21.9	Very low	26.1	Very low	123 Å²	123	140.4 Å²	140.4	83%	0.831	79%	0.794	S	S	*	*			trans	-94.3	88.1	161.7	-169.6	0	0	0	0	109.1	Y203	Y203-C205 VanDerWaalsContact C-N 3.31Å; Y203-C205 PolarHBondContact O-N 3.3Å; Y203-C205 VanDerWaalsContact O-N 3.12Å
206	A	27.1	Very low	26.2	Very low	85 Å²	85	142.6 Å²	142.6	70%	0.702	80%	0.796	S	S	*	*			trans	-109	100	178	0	0	0	0	0	110.1	R208	A206-R208 PolarHBondContact O-N 2.86Å
207	S	24.1	Very low	26.1	Very low	110 Å²	110	137.6 Å²	137.6	77%	0.769	79%	0.79	S	S	*	*			trans	-67.6	116.6	176.3	47.5	0	0	0	0	111.5
208	R	25.6	Very low	26.1	Very low	242 Å²	242	137.3 Å²	137.3	91%	0.913	79%	0.787	S	S	*	*			trans	-105.8	99.3	156.7	-85.5	-167.2	172.9	-169.5	-0.5	109.9	A206 S210	A206-R208 PolarHBondContact O-N 2.86Å; R208-S210 PolarHBondContact O-N 3.14Å
209	V	23.8	Very low	26.2	Very low	132 Å²	132	138.6 Å²	138.6	80%	0.8	79%	0.789	S	S	*	*			trans	-76.7	113.6	160.2	176.7	0	0	0	0	107.5
210	S	27.9	Very low	26.3	Very low	106 Å²	106	138.8 Å²	138.8	74%	0.741	79%	0.788	S	S	*	*			trans	-131.5	118.7	165.7	51.1	0	0	0	0	108.6	R208	R208-S210 PolarHBondContact O-N 3.14Å
211	R	23.2	Very low	26.3	Very low	243 Å²	243	140.9 Å²	140.9	92%	0.917	79%	0.793	S	S	*	*			trans	-90.2	124.1	-179	-73.4	177.6	171.9	173.3	-4.2	111.3
212	S	29	Very low	26.3	Very low	103 Å²	103	139 Å²	139	72%	0.72	79%	0.794	S	S	*	*			trans	-162	119.1	154.6	54	0	0	0	0	104.9
213	A	25.5	Very low	26.4	Very low	83 Å²	83	140.4 Å²	140.4	69%	0.686	80%	0.8	S	S	*	*				51.1	108.3	60.5	0	0	0	0	0	108.7
214	D	29.3	Very low	26.4	Very low	150 Å²	150	135.6 Å²	135.6	80%	0.802	80%	0.799	S	S	*	*			cis	-142.9	-168.3	40.4	-77.9	-51	0	0	0	115
215	N	26.9	Very low	26.6	Very low	145 Å²	145	136 Å²	136	78%	0.775	80%	0.801	S	S	*	*			trans	-57.3	168.9	178	-44.5	-69.7	0	0	0	112.8
216	E	27.2	Very low	26.7	Very low	167 Å²	167	141.2 Å²	141.2	78%	0.78	80%	0.804	S	S	*	*			cis	-143.6	156.6	25.9	-59.5	178.8	141.7	0	0	113.5
217	V	24.6	Very low	26.7	Very low	133 Å²	133	148.2 Å²	148.2	81%	0.806	81%	0.812	S	S	*	*			trans	-120	95.9	160.1	177.9	0	0	0	0	108.5	C219	V217-C219 PolarHBondContact O-N 2.92Å
218	C	26.6	Very low	26.9	Very low	107 Å²	107	150 Å²	150	72%	0.723	81%	0.813	S	S	*	*			trans	-75.3	103.7	170.7	-91.3	0	0	0	0	110.6
219	C	26.4	Very low	26.7	Very low	117 Å²	117	147.3 Å²	147.3	79%	0.791	81%	0.813	S	S	*	*			trans	-130	91.9	165.8	-76.3	0	0	0	0	110	V217	V217-C219 PolarHBondContact O-N 2.92Å
220	T	29.8	Very low	27	Very low	118 Å²	118	146.8 Å²	146.8	72%	0.724	81%	0.812	S	S	*	*			trans	-105.8	134.7	173.8	42.4	0	0	0	0	110.6
221	N	29.7	Very low	27	Very low	164 Å²	164	146.8 Å²	146.8	88%	0.877	81%	0.812	S	S	*	*			trans	39	115	158.1	-52.8	-20.7	0	0	0	118.6
222	G	28	Very low	27	Very low	74 Å²	74	146.7 Å²	146.7	76%	0.763	81%	0.812	S	S	*	*			cis	120	136.2	3.5	0	0	0	0	0	112.9
223	T	29.5	Very low	26.9	Very low	146 Å²	146	153.2 Å²	153.2	90%	0.896	82%	0.82	S	S	*	*			trans	-150	127.3	168.5	24.1	0	0	0	0	110.3
224	C	23	Very low	27	Very low	130 Å²	130	154.1 Å²	154.1	88%	0.878	82%	0.822	S	S	*	*			trans	-89.3	124.8	170	-69.9	0	0	0	0	110.6
225	L	30.5	Very low	26.7	Very low	178 Å²	178	157.3 Å²	157.3	93%	0.932	82%	0.823	S	S	*	*			trans	-122.8	128.3	155.4	-81.8	172.1	0	0	0	109.8
226	R	23.4	Very low	26.7	Very low	233 Å²	233	156.2 Å²	156.2	88%	0.879	82%	0.824	S	S	*	*			trans	-89.4	168.1	178.3	-73.8	177.3	166.1	-178.3	-4.5	110.6
227	R	26.9	Very low	26.5	Very low	232 Å²	232	155.1 Å²	155.1	88%	0.875	82%	0.818	S	S	*	*			trans	86.6	128.9	172.4	-56.2	172.7	175.5	171.4	-1.5	113.2
228	N	27.6	Very low	26.6	Very low	148 Å²	148	157.4 Å²	157.4	79%	0.791	82%	0.818	S	S	*	*			cis	-146.2	150.9	-3.7	-88.9	-25.6	0	0	0	110.9
229	M	22.2	Very low	26.7	Very low	184 Å²	184	161.1 Å²	161.1	91%	0.906	82%	0.822	S	S	*	*			trans	-129.5	147.4	157.6	-92.9	-163.9	176.9	0	0	108.8
230	P	30.7	Very low	26.5	Very low	121 Å²	121	162.5 Å²	162.5	79%	0.786	83%	0.826	S	S	*	*			trans	-125.4	117.6	147.2	31.8	-18.8	0	0	0	112.7
231	S	27.7	Very low	26.2	Very low	106 Å²	106	159.9 Å²	159.9	74%	0.741	82%	0.823	S	S	*	*			trans	-11	136.5	157.5	55.6	0	0	0	0	121.2
232	R	22.4	Very low	26	Very low	242 Å²	242	163.5 Å²	163.5	91%	0.913	83%	0.825	S	S	*	*			trans	13.1	120.7	134.6	-65.5	-179.7	173.5	-168.9	-2.2	118.9
233	R	27.3	Very low	25.8	Very low	239 Å²	239	166.5 Å²	166.5	90%	0.902	83%	0.828	S	S	*	*			trans	-147.3	108.5	141.8	-85.9	-169	-174.1	-174.8	1	107.2
234	S	27.4	Very low	25.6	Very low	102 Å²	102	167.4 Å²	167.4	71%	0.713	83%	0.827	S	S	*	*				78.4	120.9	89.2	69.3	0	0	0	0	114.1
235	W	22.4	Very low	25.7	Very low	218 Å²	218	168.2 Å²	168.2	83%	0.826	82%	0.822	S	S	*	*			trans	-62.4	164.4	168.6	-72.7	31.7	0	0	0	111.3	E237	W235-E237 HydrophobicContact CE3-CG 3.88Å; W235-E237 HydrophobicContact CZ3-CG 3.96Å
236	P	28.2	Very low	25.5	Very low	122 Å²	122	171.7 Å²	171.7	79%	0.792	82%	0.823	S	S	*	*				-139.9	161.4	104	39.6	-29	0	0	0	115
237	E	22.2	Very low	25.8	Very low	144 Å²	144	165.2 Å²	165.2	67%	0.673	81%	0.811	S	S	*	*			trans	-86.4	-163.5	162.1	-58.8	-177.8	127.1	0	0	110.9	W235	W235-E237 HydrophobicContact CE3-CG 3.88Å; W235-E237 HydrophobicContact CZ3-CG 3.96Å
238	F	27.8	Very low	25.7	Very low	181 Å²	181	160.6 Å²	160.6	79%	0.794	80%	0.803	S	S	*	*			trans	79.8	143.4	-172.3	-61.2	-79.2	0	0	0	115.2
239	F	27.1	Very low	25.6	Very low	185 Å²	185	162.4 Å²	162.4	81%	0.811	80%	0.804	S	S	*	*			cis	-137.2	164.5	5	-123.4	-66.8	0	0	0	112.2
240	V	23.1	Very low	25.8	Very low	145 Å²	145	165.4 Å²	165.4	88%	0.879	81%	0.805	S	S	*	*			trans	-83.7	137.7	178.4	173.8	0	0	0	0	112.9
241	G	23.1	Very low	25.5	Very low	64 Å²	64	169.2 Å²	169.2	66%	0.66	81%	0.809	S	S	*	*			trans	133.5	157.2	133.1	0	0	0	0	0	120.4
242	R	25.9	Very low	25.5	Very low	240 Å²	240	171 Å²	171	91%	0.906	82%	0.815	S	S	*	*			trans	78.8	94.3	163.5	-58.2	-169.8	-179.9	-155.8	-0.7	119.4
243	T	22.7	Very low	25.8	Very low	136 Å²	136	164.8 Å²	164.8	83%	0.834	81%	0.809	S	S	*	*				-1.8	133.4	126.4	39.1	0	0	0	0	118.4
244	L	26.6	Very low	25.6	Very low	166 Å²	166	162.2 Å²	162.2	87%	0.869	81%	0.807	S	S	*	*			trans	-143.2	122.8	154	-116	169.7	0	0	0	110.4
245	N	23.6	Very low	25.7	Very low	146 Å²	146	166.3 Å²	166.3	78%	0.781	82%	0.815	S	S	*	*			trans	-79.8	144.2	172.2	-75	-39.6	0	0	0	110.3
246	W	26.2	Very low	25.9	Very low	252 Å²	252	161.8 Å²	161.8	96%	0.955	81%	0.811	S	S	*	*			trans	-133.8	111.8	162.3	-118.2	62.8	0	0	0	110.3
247	P	29.7	Very low	26	Very low	96 Å²	96	164.2 Å²	164.2	62%	0.623	82%	0.817	S	S	*	*			trans	-109.5	174.4	-175.6	41.7	-35.7	0	0	0	113.7
248	L	26.2	Very low	26.2	Very low	135 Å²	135	160.8 Å²	160.8	71%	0.707	82%	0.821	S	S	*	*			trans	78.2	112.9	160.6	-61.7	164.8	0	0	0	120.1
249	K	24.5	Very low	26.3	Very low	187 Å²	187	158.4 Å²	158.4	81%	0.813	83%	0.826	S	S	*	*				54.2	122.2	128.4	-61.7	174.7	-178.2	171.4	0	119.7
250	R	27.2	Very low	26.2	Very low	246 Å²	246	161.3 Å²	161.3	93%	0.928	83%	0.832	S	S	*	*				-145	129.9	119.6	-113.2	172.2	-174.2	178.7	1.4	111.6
251	K	23.3	Very low	26.5	Very low	202 Å²	202	158.2 Å²	158.2	88%	0.878	83%	0.829	S	S	*	*			trans	-88.9	145.5	156.6	-74.7	-176.1	172.9	-173.2	0	107.6
252	V	28.8	Very low	26.6	Very low	142 Å²	142	163.5 Å²	163.5	86%	0.861	84%	0.836	S	S	*	*			trans	-137.8	147.4	147.9	-175.8	0	0	0	0	106.8
253	S	28.1	Very low	26.8	Very low	113 Å²	113	161.3 Å²	161.3	79%	0.79	84%	0.839	S	S	*	*			trans	-105.4	177.6	-172	45.6	0	0	0	0	113.2
254	Q	24	Very low	26.9	Very low	184 Å²	184	163.9 Å²	163.9	86%	0.86	84%	0.841	S	S	*	*			trans	-75.8	143	174.6	-59	164.1	-74.2	0	0	112.2
255	E	28.5	Very low	26.9	Very low	188 Å²	188	159.8 Å²	159.8	88%	0.879	84%	0.84	S	S	*	*			trans	-167.9	118.8	147.8	-103.5	160.6	-163.9	0	0	104.2
256	V	26.7	Very low	26.9	Very low	123 Å²	123	158.1 Å²	158.1	75%	0.745	84%	0.839	S	S	*	*				82.6	133	52.7	-179.9	0	0	0	0	112
257	L	31.1	Very low	27	Very low	173 Å²	173	152.6 Å²	152.6	91%	0.906	84%	0.837	S	S	*	*			trans	72.3	134.6	-167	-47.8	177	0	0	0	114.8
258	G	25.5	Very low	26.8	Very low	73 Å²	73	151.4 Å²	151.4	75%	0.753	84%	0.843	S	S	*	*			cis	137.6	105.3	-15.3	0	0	0	0	0	114.8
259	S	30.6	Very low	26.8	Very low	131 Å²	131	151.5 Å²	151.5	92%	0.916	85%	0.849	S	S	*	*			trans	-167.8	165	159.9	39.7	0	0	0	0	111.7
260	R	25.6	Very low	26.9	Very low	246 Å²	246	147.4 Å²	147.4	93%	0.928	84%	0.844	S	S	*	*			trans	-95.8	150.2	-172.8	-63.6	172.5	175.2	161.7	-4.1	112.1
261	G	27.9	Very low	26.8	Very low	80 Å²	80	142 Å²	142	83%	0.825	84%	0.838	S	S	*	*			trans	-144.5	116.9	161.8	0	0	0	0	0	110.7
262	H	25.9	Very low	26.9	Very low	174 Å²	174	136.5 Å²	136.5	81%	0.806	83%	0.831	S	S	*	*			trans	-82	140.9	170.4	-81.7	-83.5	0	0	0	110.1
263	M	29.6	Very low	26.8	Very low	194 Å²	194	136.5 Å²	136.5	96%	0.956	83%	0.826	S	S	*	*			trans	-129.7	110.9	147.7	-79.9	-167.1	171.1	0	0	109.3
264	Q	25.4	Very low	26.6	Very low	190 Å²	190	137.5 Å²	137.5	89%	0.888	83%	0.827	S	S	*	*			trans	-97.4	141	151.6	-72.5	179	-53.2	0	0	107
265	G	27.4	Very low	26.7	Very low	81 Å²	81	132.2 Å²	132.2	84%	0.835	82%	0.822	S	S	*	*			trans	-156.8	121.5	172.7	0	0	0	0	0	109.1
266	S	23.3	Very low	26.4	Very low	110 Å²	110	129.4 Å²	129.4	77%	0.769	82%	0.823	S	S	*	*			trans	-151.6	158.4	-178.9	54.4	0	0	0	0	110.6
267	C	27.2	Very low	26.4	Very low	136 Å²	136	129.8 Å²	129.8	92%	0.919	83%	0.826	S	S	*	*			trans	69.6	139.1	-170.3	-54.9	0	0	0	0	114.5
268	G	26.6	Very low	26	Very low	72 Å²	72	126.4 Å²	126.4	74%	0.742	82%	0.817	S	S	*	*			cis	-172.9	-175.7	-1.8	0	0	0	0	0	115.8
269	T	26.2	Very low	25.9	Very low	137 Å²	137	129.2 Å²	129.2	84%	0.84	82%	0.819	S	S	*	*			trans	-47	159.1	170.8	43	0	0	0	0	116.2
270	S	25.8	Very low	25.5	Very low	101 Å²	101	128.1 Å²	128.1	71%	0.706	81%	0.807	S	S	*	*			cis	-178.7	179.3	-3.5	48.1	0	0	0	0	112.6
271	V	26.1	Very low	25.4	Very low	131 Å²	131	127.4 Å²	127.4	79%	0.794	81%	0.806	S	S	*	*			trans	82.1	114.6	157.3	-176.7	0	0	0	0	120.5
272	A	25.6	Very low	25.1	Very low	88 Å²	88	128.3 Å²	128.3	73%	0.727	80%	0.799	S	S	*	*			trans	55.8	166.5	144.5	0	0	0	0	0	120.5
273	D	25	Very low	24.9	Very low	142 Å²	142	132.2 Å²	132.2	76%	0.759	81%	0.806	S	S	*	*			cis	-151.3	171.5	2.9	-151.2	-14.8	0	0	0	112.5
274	T	25.9	Very low	24.7	Very low	134 Å²	134	130.8 Å²	130.8	82%	0.822	80%	0.797	S	S	*	*			trans	66.1	119.9	164.6	63.2	0	0	0	0	119.1
275	G	25.4	Very low	24.6	Very low	73 Å²	73	126 Å²	126	75%	0.753	79%	0.79	S	S	*	*			trans	-171.2	67.4	174.4	0	0	0	0	0	112.4	V277	G275-V277 PolarHBondContact O-N 2.87Å
276	S	22.2	Very low	24.6	Very low	128 Å²	128	130.6 Å²	130.6	90%	0.895	78%	0.784	S	S	*	*			trans	-74.1	112.3	-175.6	41.5	0	0	0	0	112.7
277	V	26.6	Very low	24.5	Very low	132 Å²	132	132.2 Å²	132.2	80%	0.8	78%	0.782	S	S	*	*			trans	-124	128.3	170.4	-177.1	0	0	0	0	109.7	G275 T279	G275-V277 PolarHBondContact O-N 2.87Å; V277-T279 PolarHBondContact O-N 3.14Å
278	S	21.8	Very low	24.6	Very low	102 Å²	102	133.6 Å²	133.6	71%	0.713	78%	0.78	S	S	*	*			trans	-72.4	117.5	-177.3	180	0	0	0	0	112	T280	S278-T280 PolarHBondContact O-N 3.01Å
279	T	23.6	Very low	24.6	Very low	132 Å²	132	136.4 Å²	136.4	81%	0.81	78%	0.783	S	S	*	*			trans	-85.9	74.2	171.3	39	0	0	0	0	111.6	V277 Y281	V277-T279 PolarHBondContact O-N 3.14Å; T279-Y281 PolarHBondContact O-N 3.21Å
280	T	23.4	Very low	24.5	Very low	107 Å²	107	136.9 Å²	136.9	66%	0.656	79%	0.785	S	S	*	*			trans	-67.6	119.4	170.2	-53.8	0	0	0	0	110.2	S278 C282	S278-T280 PolarHBondContact O-N 3.01Å; T280-C282 PolarHBondContact O-N 3.49Å
281	Y	22.4	Very low	24.5	Very low	232 Å²	232	135.4 Å²	135.4	91%	0.91	79%	0.785	S	S	*	*			trans	-66.3	98.9	174.9	-95.7	-101.9	0	0	0	111.4	T279	T279-Y281 PolarHBondContact O-N 3.21Å
282	C	21.8	Very low	24.3	Very low	99 Å²	99	136.5 Å²	136.5	67%	0.669	79%	0.787	S	S	*	*			trans	-96.7	127.8	166.1	-74.7	0	0	0	0	110.8	T280 E284	T280-C282 PolarHBondContact O-N 3.49Å; C282-E284 PolarHBondContact O-N 2.74Å
283	R	21.7	Very low	24.4	Very low	255 Å²	255	137.6 Å²	137.6	96%	0.962	79%	0.787	S	S	*	*			trans	-76.6	101.2	169.9	-71.9	175.2	169.6	176.2	-5.2	109
284	E	26.4	Very low	24.3	Very low	165 Å²	165	139.2 Å²	139.2	77%	0.771	79%	0.787	S	S	*	*			trans	-91.7	129.2	173.4	-66.2	-164.1	143	0	0	111.9	C282	C282-E284 PolarHBondContact O-N 2.74Å
285	A	21.8	Very low	24.2	Very low	90 Å²	90	141.7 Å²	141.7	74%	0.744	79%	0.787	S	S	*	*			trans	-88.5	130.5	170.4	0	0	0	0	0	109.5	I287	A285-I287 PolarHBondContact O-N 3.05Å
286	Y	27.3	Very low	24.3	Very low	177 Å²	177	144 Å²	144	69%	0.694	79%	0.792	S	S	*	*			trans	-79.8	110.1	-179.4	-77.7	-96.8	0	0	0	110.9
287	I	22.9	Very low	24.4	Very low	143 Å²	143	147 Å²	147	73%	0.733	79%	0.788	S	S	*	*			trans	-106.5	110.3	165.9	-61.8	175.9	0	0	0	107.7	A285 T289	A285-I287 PolarHBondContact O-N 3.05Å; I287-T289 HydrophobicContact CG2-CG2 4.29Å; I287-T289 PolarHBondContact O-N 2.71Å
288	L	27.5	Very low	24.3	Very low	166 Å²	166	146.8 Å²	146.8	87%	0.869	79%	0.787	S	S	*	*			trans	-82.3	97.6	169.8	-79.5	167.8	0	0	0	109.5
289	T	26.6	Very low	24.4	Very low	131 Å²	131	146.6 Å²	146.6	80%	0.804	79%	0.785	S	S	*	*			trans	-70.6	135.5	173.3	40.7	0	0	0	0	112	I287	I287-T289 HydrophobicContact CG2-CG2 4.29Å; I287-T289 PolarHBondContact O-N 2.71Å
290	V	25.6	Very low	24.4	Very low	147 Å²	147	146.4 Å²	146.4	89%	0.891	79%	0.786	S	S	*	*			trans	-90.8	131.6	-175.8	179.1	0	0	0	0	112
291	G	24.3	Very low	24.6	Very low	69 Å²	69	144.9 Å²	144.9	71%	0.711	78%	0.779	S	S	*	*			trans	108.1	118.9	145.9	0	0	0	0	0	118.1
292	N	23.7	Very low	24.9	Very low	154 Å²	154	138.3 Å²	138.3	82%	0.824	77%	0.773	S	S	*	*				-164.2	128.6	109.9	-142.1	-13.9	0	0	0	111	F294	N292-F294 PolarHBondContact O-N 3.27Å
293	P	27.7	Very low	25.3	Very low	112 Å²	112	141.7 Å²	141.7	73%	0.727	78%	0.779	S	S	*	*			trans	-102.7	68.9	-172.3	38.8	-34.3	0	0	0	113.9
294	F	22.6	Very low	26	Very low	176 Å²	176	134.2 Å²	134.2	77%	0.772	77%	0.772	S	S	*	*			trans	-145	129.6	170.4	-96.6	-77.9	0	0	0	113.4	N292	N292-F294 PolarHBondContact O-N 3.27Å
295	F	23.9	Very low	26.8	Very low	186 Å²	186	135.2 Å²	135.2	82%	0.816	78%	0.779	S	S	*	*			trans	51.5	102.3	171.8	-71.2	-80.6	0	0	0	118.3
296	S	25.9	Very low	28.4	Very low	122 Å²	122	135 Å²	135	85%	0.853	78%	0.776	S	S	*	*			trans	-120	131.7	137.4	58.3	0	0	0	0	109.3
297	K	24.7	Very low	30.4	Very low	189 Å²	189	127.9 Å²	127.9	82%	0.822	75%	0.749	S	S	*	*			trans	-89	146.2	163.2	-85.8	-176.4	174.3	179.1	0	108.2	C299	K297-C299 PolarHBondContact O-N 3.42Å
298	V	25.6	Very low	33.2	Very low	128 Å²	128	129.8 Å²	129.8	78%	0.776	75%	0.747	S	S	*	*			trans	-40.6	120.7	177.1	-177.8	0	0	0	0	112.1
299	C	22.1	Very low	36.1	Very low	99 Å²	99	124.2 Å²	124.2	67%	0.669	72%	0.721	S	S	*	*			trans	-111.9	104.9	163.7	-119.5	0	0	0	0	107.1	K297 S301	K297-C299 PolarHBondContact O-N 3.42Å; C299-S301 PolarHBondContact O-N 2.84Å
300	P	25.5	Very low	39.3	Very low	128 Å²	128	120.4 Å²	120.4	83%	0.831	70%	0.696	S	S	*	*	S	Bend	trans	-78.4	49.2	-178.9	34.7	-36	0	0	0	111.2
301	S	26	Very low	42.6	Very low	74 Å²	74	117.9 Å²	117.9	52%	0.517	68%	0.681	S	S	.	*			trans	-160.7	40.6	-178	55.6	0	0	0	0	110.5	C299 H303	C299-S301 PolarHBondContact O-N 2.84Å; S301-H303 VanDerWaalsContact C-N 3.29Å; S301-H303 PolarHBondContact O-N 3.06Å; S301-H303 PolarHBondContact O-ND1 3.46Å
302	A	28.9	Very low	46	Very low	95 Å²	95	117.2 Å²	117.2	79%	0.785	66%	0.66	S	S	*	*			trans	-54.9	99.3	161.5	0	0	0	0	0	107.7	A304	A302-A304 PolarHBondContact O-N 2.92Å; A302-A304 VanDerWaalsContact O-N 3.16Å
303	H	30.5	Very low	49.4	Very low	169 Å²	169	110 Å²	110	78%	0.782	62%	0.622	S	S	*	*			trans	-57.6	123.4	172	-74	44.6	0	0	0	106	S301 M305	S301-H303 VanDerWaalsContact C-N 3.29Å; S301-H303 PolarHBondContact O-N 3.06Å; S301-H303 PolarHBondContact O-ND1 3.46Å; H303-M305 PolarHBondContact O-N 2.86Å
304	A	37	Very low	52.7	Low	99 Å²	99	104.7 Å²	104.7	82%	0.818	59%	0.587	S	S	*	*			trans	-56	106.3	175.7	0	0	0	0	0	107.6	A302 A306	A302-A304 PolarHBondContact O-N 2.92Å; A302-A304 VanDerWaalsContact O-N 3.16Å; A304-A306 PolarHBondContact O-N 3.16Å
305	M	43.1	Very low	56.3	Low	186 Å²	186	96.3 Å²	96.3	92%	0.916	55%	0.55	S	S	*	*			trans	-62.9	106.5	176.7	-82.6	-166.1	172	0	0	106.3	H303 F307	H303-M305 PolarHBondContact O-N 2.86Å; M305-F307 PolarHBondContact O-N 2.95Å
306	A	55.6	Low	59.7	Low	84 Å²	84	91 Å²	91	69%	0.694	53%	0.528	S	S	*	.			trans	-43.8	126.7	-171.8	0	0	0	0	0	110.1	A304 R308	A304-A306 PolarHBondContact O-N 3.16Å; A306-R308 PolarHBondContact O-N 2.91Å
307	F	68	Low	63.1	Low	29 Å²	29	85.5 Å²	85.5	13%	0.127	49%	0.49	C	S	.	.			trans	-58.3	100.1	-168.1	178.2	-95.8	0	0	0	109.7	M305 P309 N539 L542 R546 D690 I717	M305-F307 PolarHBondContact O-N 2.95Å; F307-P309 HydrophobicContact CD1-CB 4.47Å; F307-P309 HydrophobicContact CE1-CB 4Å; F307-P309 WeakPolarHBondContact O-CD 3.49Å; F307-N539 HydrophobicContact CE1-CB 4.16Å; F307-N539 HydrophobicContact CZ-CB 3.96Å; F307-L542 HydrophobicContact CE2-CD2 4.31Å; F307-L542 HydrophobicContact CZ-CD2 4.09Å; F307-R546 VanDerWaalsContact CD2-NH1 3.31Å; F307-D690 HydrophobicContact CD2-CB 4.24Å; F307-I717 HydrophobicContact CE1-CD1 4.01Å; F307-I717 HydrophobicContact CE1-CG1 3.89Å; F307-I717 HydrophobicContact CE2-CD1 4.24Å; F307-I717 HydrophobicContact CZ-CD1 3.75Å; F307-I717 HydrophobicContact CZ-CG1 3.97Å
308	R	81.6	Confident	66.5	Low	182 Å²	182	76.5 Å²	76.5	69%	0.687	45%	0.451	S	S	*	.			trans	-81.1	113.3	175.4	-71.6	-170.8	178.9	-171.2	-0.4	108.4	A306 L542 R546	A306-R308 PolarHBondContact O-N 2.91Å; R308-L542 WeakPolarHBondContact O-CD2 3.38Å; R308-R546 PolarHBondContact O-NH2 3Å; R308-R546 VanDerWaalsContact O-NH2 3.08Å
309	P	90.2	Very high	69.9	Low	50 Å²	50	71.5 Å²	71.5	33%	0.325	42%	0.419	S	S	.	.			trans	-82.6	162.9	179	35.5	-36.2	0	0	0	111.8	F307 T311 Y535 N539	F307-P309 HydrophobicContact CD1-CB 4.47Å; F307-P309 HydrophobicContact CE1-CB 4Å; F307-P309 WeakPolarHBondContact O-CD 3.49Å; P309-T311 HydrophobicContact CG-CG2 4.45Å; P309-Y535 HydrophobicContact CB-CE2 3.93Å; P309-Y535 VanDerWaalsContact CB-OH 3.27Å; P309-Y535 WeakPolarHBondContact CB-OH 3.44Å; P309-Y535 HydrophobicContact CG-CE2 4.33Å; P309-Y535 WeakPolarHBondContact CG-OH 3.3Å; P309-N539 WeakPolarHBondContact CA-OD1 3.4Å; P309-N539 WeakPolarHBondContact CB-OD1 3.46Å
310	L	93.4	Very high	73.4	Confident	51 Å²	51	71.2 Å²	71.2	27%	0.267	41%	0.407	S	S	.	.			trans	-88.8	126.1	164.4	-62.7	170.9	0	0	0	109	Y535 M538 N539 L542 I577	L310-Y535 WeakPolarHBondContact O-CD2 3.22Å; L310-M538 HydrophobicContact CD1-CB 4.47Å; L310-M538 HydrophobicContact CD1-CE 3.82Å; L310-N539 PolarHBondContact N-OD1 3.05Å; L310-N539 PolarHBondContact O-ND2 3.28Å; L310-L542 HydrophobicContact CD1-CD2 4.4Å; L310-L542 HydrophobicContact CG-CD2 4.14Å; L310-I577 HydrophobicContact CD1-CD1 4.3Å; L310-I577 HydrophobicContact CD1-CG1 3.94Å; L310-I577 HydrophobicContact CD1-CG2 4.26Å
311	T	94.4	Very high	76.8	Confident	94 Å²	94	66 Å²	66	58%	0.577	37%	0.372	S	S	*	.			trans	-111.8	36.6	-177.5	61.3	0	0	0	0	111.8	P309 Y535	P309-T311 HydrophobicContact CG-CG2 4.45Å; T311-Y535 HydrophobicContact CG2-CE2 4.29Å
312	I	94.8	Very high	80.2	Confident	54 Å²	54	62.5 Å²	62.5	28%	0.277	35%	0.347	S	S	.	.	S	Bend	trans	-130.4	160	-176.6	58.1	174.9	0	0	0	110.6	H316 A317	I312-H316 HydrophobicContact CB-CB 4.47Å; I312-A317 HydrophobicContact CD1-CB 3.72Å; I312-A317 HydrophobicContact CG1-CB 4.19Å
313	S	96.4	Very high	83.4	Confident	3 Å²	3	64.3 Å²	64.3	2%	0.021	33%	0.334	C	S	.	.			trans	-65.2	162.8	175.4	82.8	0	0	0	0	111.7	G315 H316 A317 D506	S313-G315 VanDerWaalsContact C-N 3.33Å; S313-G315 PolarHBondContact OG-N 3.28Å; S313-H316 PolarHBondContact O-N 3.3Å; S313-H316 VanDerWaalsContact OG-CB 3.32Å; S313-H316 WeakPolarHBondContact OG-CB 3.37Å; S313-H316 PolarHBondContact OG-N 2.92Å; S313-A317 WeakPolarHBondContact O-CB 3.42Å; S313-A317 PolarHBondContact O-N 2.96Å; S313-A317 VanDerWaalsContact O-N 3.12Å; S313-D506 PolarHBondContact OG-OD1 3.42Å
314	I	97.5	Very high	86.6	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-65	-40.7	173	-63.3	167.7	0	0	0	110	H316 A317 F318 A385 A515 H534 L537 M538 L573 I576	I314-H316 VanDerWaalsContact C-N 3.33Å; I314-H316 PolarHBondContact O-N 3.38Å; I314-A317 PolarHBondContact O-N 3.35Å; I314-F318 WeakPolarHBondContact O-CB 3.5Å; I314-F318 PolarHBondContact O-N 2.92Å; I314-A385 HydrophobicContact CB-CB 4.14Å; I314-A385 HydrophobicContact CG2-CB 3.78Å; I314-A515 HydrophobicContact CD1-CB 3.92Å; I314-H534 HydrophobicContact CG1-CB 4.09Å; I314-H534 VanDerWaalsContact CG1-ND1 3.35Å; I314-H534 WeakPolarHBondContact CG1-ND1 3.47Å; I314-H534 PolarHBondContact N-ND1 3.32Å; I314-L537 HydrophobicContact CD1-CB 4.3Å; I314-L537 HydrophobicContact CD1-CD1 4.01Å; I314-M538 HydrophobicContact CB-SD 4.46Å; I314-M538 HydrophobicContact CG1-CG 3.71Å; I314-M538 HydrophobicContact CG1-SD 3.83Å; I314-M538 HydrophobicContact CG2-SD 4.5Å; I314-L573 HydrophobicContact CD1-CD2 4.32Å; I314-L573 HydrophobicContact CG2-CD2 3.82Å; I314-I576 HydrophobicContact CG2-CD1 4.03Å
315	G	96.6	Very high	89.5	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-60.6	-39.5	177.7	0	0	0	0	0	113.1	S313 F318 E319 A385 R386 D506	S313-G315 VanDerWaalsContact C-N 3.33Å; S313-G315 PolarHBondContact OG-N 3.28Å; G315-F318 PolarHBondContact O-N 2.93Å; G315-E319 PolarHBondContact O-N 2.95Å; G315-A385 VanDerWaalsContact CA-O 3.27Å; G315-A385 WeakPolarHBondContact CA-O 3.49Å; G315-A385 PolarHBondContact N-O 3.2Å; G315-R386 WeakPolarHBondContact O-CD 3.36Å; G315-R386 PolarHBondContact O-NH1 2.81Å; G315-D506 VanDerWaalsContact CA-OD1 3.27Å; G315-D506 WeakPolarHBondContact CA-OD1 3.18Å
316	H	95.9	Very high	92	Very high	74 Å²	74	51.1 Å²	51.1	34%	0.343	26%	0.258	S	S	.	.	H	α-helix	trans	-74.5	-41.8	-178.7	-162.1	69.9	0	0	0	112.1	I312 S313 I314 F318 K320 D506	I312-H316 HydrophobicContact CB-CB 4.47Å; S313-H316 PolarHBondContact O-N 3.3Å; S313-H316 VanDerWaalsContact OG-CB 3.32Å; S313-H316 WeakPolarHBondContact OG-CB 3.37Å; S313-H316 PolarHBondContact OG-N 2.92Å; I314-H316 VanDerWaalsContact C-N 3.33Å; I314-H316 PolarHBondContact O-N 3.38Å; H316-F318 VanDerWaalsContact C-N 3.28Å; H316-F318 PolarHBondContact O-N 3.23Å; H316-K320 VanDerWaalsContact O-CB 3.31Å; H316-K320 WeakPolarHBondContact O-CB 3.3Å; H316-K320 PolarHBondContact O-N 3.28Å; H316-D506 WeakPolarHBondContact CA-OD2 3.45Å; H316-D506 VanDerWaalsContact CB-OD2 3.27Å; H316-D506 WeakPolarHBondContact CB-OD2 3.27Å; H316-D506 IonicContact CG-OD2 3.86Å; H316-D506 PolarHBondContact N-OD1 3.29Å; H316-D506 PolarHBondContact N-OD2 2.9Å; H316-D506 IonicContact ND1-OD2 2.98Å; H316-D506 PolarHBondContact ND1-OD2 3.03Å
317	A	96.8	Very high	94	Very high	7 Å²	7	54.2 Å²	54.2	6%	0.058	26%	0.261	C	S	.	.	H	α-helix	trans	-60.9	-40.7	172.7	0	0	0	0	0	111.4	I312 S313 I314 N321 M538 I576	I312-A317 HydrophobicContact CD1-CB 3.72Å; I312-A317 HydrophobicContact CG1-CB 4.19Å; S313-A317 WeakPolarHBondContact O-CB 3.42Å; S313-A317 PolarHBondContact O-N 2.96Å; S313-A317 VanDerWaalsContact O-N 3.12Å; I314-A317 PolarHBondContact O-N 3.35Å; A317-N321 WeakPolarHBondContact O-CB 3.33Å; A317-N321 PolarHBondContact O-N 3.06Å; A317-M538 HydrophobicContact CB-CE 3.43Å; A317-M538 VanDerWaalsContact CB-CE 3.43Å; A317-I576 HydrophobicContact CB-CG2 3.6Å
318	F	97.2	Very high	95.5	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-64.1	-54.5	176.4	169.4	-130.3	0	0	0	111.3	I314 G315 H316 K320 Y322 L346 A349 L382 R386 I576	I314-F318 WeakPolarHBondContact O-CB 3.5Å; I314-F318 PolarHBondContact O-N 2.92Å; G315-F318 PolarHBondContact O-N 2.93Å; H316-F318 VanDerWaalsContact C-N 3.28Å; H316-F318 PolarHBondContact O-N 3.23Å; F318-K320 VanDerWaalsContact C-N 3.31Å; F318-K320 PolarHBondContact O-N 3.42Å; F318-Y322 AromaticContact CD2-CD1 3.71Å; F318-Y322 HydrophobicContact CD2-CD1 3.71Å; F318-Y322 AromaticContact CD2-CD2 3.56Å; F318-Y322 HydrophobicContact CD2-CD2 3.56Å; F318-Y322 AromaticContact CD2-CE1 3.9Å; F318-Y322 HydrophobicContact CD2-CE1 3.9Å; F318-Y322 AromaticContact CD2-CE2 3.73Å; F318-Y322 HydrophobicContact CD2-CE2 3.73Å; F318-Y322 AromaticContact CD2-CG 3.59Å; F318-Y322 HydrophobicContact CD2-CG 3.59Å; F318-Y322 AromaticContact CD2-CZ 3.9Å; F318-Y322 AromaticContact CE2-CD1 3.32Å; F318-Y322 HydrophobicContact CE2-CD1 3.32Å; F318-Y322 HydrophobicContact CE2-CD2 4.09Å; F318-Y322 AromaticContact CE2-CE1 3.45Å; F318-Y322 HydrophobicContact CE2-CE1 3.45Å; F318-Y322 VanDerWaalsContact CE2-CE1 3.45Å; F318-Y322 HydrophobicContact CE2-CE2 4.17Å; F318-Y322 AromaticContact CE2-CG 3.7Å; F318-Y322 HydrophobicContact CE2-CG 3.7Å; F318-Y322 AromaticContact CE2-CZ 3.88Å; F318-Y322 HydrophobicContact CZ-CD1 4.41Å; F318-Y322 WeakPolarHBondContact O-CB 3.28Å; F318-Y322 WeakPolarHBondContact O-CD2 3.27Å; F318-Y322 PolarHBondContact O-N 3.44Å; F318-L346 HydrophobicContact CD1-CD1 4.09Å; F318-L346 HydrophobicContact CE1-CD1 3.75Å; F318-L346 HydrophobicContact CE2-CD1 4.43Å; F318-L346 HydrophobicContact CZ-CB 4.33Å; F318-L346 HydrophobicContact CZ-CD1 3.94Å; F318-A349 HydrophobicContact CE1-CB 3.62Å; F318-A349 HydrophobicContact CZ-CB 3.59Å; F318-L382 HydrophobicContact CD1-CD2 4.32Å; F318-L382 HydrophobicContact CD2-CD2 4Å; F318-L382 HydrophobicContact CE1-CB 3.8Å; F318-L382 HydrophobicContact CE1-CD2 4.24Å; F318-L382 HydrophobicContact CE1-CG 4.44Å; F318-L382 HydrophobicContact CE2-CB 4.46Å; F318-L382 HydrophobicContact CE2-CD1 3.87Å; F318-L382 HydrophobicContact CE2-CD2 3.87Å; F318-L382 HydrophobicContact CE2-CG 4.29Å; F318-L382 HydrophobicContact CG-CD2 4.24Å; F318-L382 HydrophobicContact CZ-CB 3.77Å; F318-L382 HydrophobicContact CZ-CD1 3.82Å; F318-L382 HydrophobicContact CZ-CD2 4.02Å; F318-L382 HydrophobicContact CZ-CG 4.08Å; F318-R386 HydrophobicContact CD1-CG 3.6Å; F318-R386 HydrophobicContact CE1-CG 3.61Å; F318-I576 HydrophobicContact CB-CD1 4.04Å; F318-I576 HydrophobicContact CB-CG1 4.07Å; F318-I576 HydrophobicContact CB-CG2 4.13Å; F318-I576 HydrophobicContact CD2-CD1 4.4Å; F318-I576 HydrophobicContact CD2-CG1 4.12Å; F318-I576 HydrophobicContact CG-CD1 4.44Å; F318-I576 HydrophobicContact CG-CG1 4.47Å
319	E	95.9	Very high	96.2	Very high	23 Å²	23	52.1 Å²	52.1	11%	0.107	26%	0.255	C	S	.	.	H	α-helix	trans	-53	-47.8	176	177.2	177	168.3	0	0	112	G315 R323 L346 R386	G315-E319 PolarHBondContact O-N 2.95Å; E319-R323 VanDerWaalsContact CD-NH2 3.31Å; E319-R323 VanDerWaalsContact O-CG 3.32Å; E319-R323 WeakPolarHBondContact O-CG 3.31Å; E319-R323 PolarHBondContact O-N 3.47Å; E319-R323 IonicContact OE1-CZ 3.15Å; E319-R323 IonicContact OE1-NH1 2.73Å; E319-R323 PolarHBondContact OE1-NH1 3.32Å; E319-R323 IonicContact OE1-NH2 2.72Å; E319-R323 PolarHBondContact OE1-NH2 3.4Å; E319-L346 HydrophobicContact CB-CD1 4.36Å; E319-L346 HydrophobicContact CG-CD2 4.5Å; E319-R386 IonicContact OE2-CZ 2.67Å; E319-R386 IonicContact OE2-NH1 3.1Å; E319-R386 PolarHBondContact OE2-NH1 3.41Å; E319-R386 IonicContact OE2-NH2 3.7Å; E319-R386 PolarHBondContact OE2-NH2 2.9Å
320	K	95.7	Very high	96.6	Very high	94 Å²	94	49.7 Å²	49.7	41%	0.409	24%	0.24	S	C	.	.	H	α-helix	trans	-64.9	-62.2	-177.7	-177.6	-176	169.8	-173.5	0	111.8	H316 F318 Y322 R323 E324	H316-K320 VanDerWaalsContact O-CB 3.31Å; H316-K320 WeakPolarHBondContact O-CB 3.3Å; H316-K320 PolarHBondContact O-N 3.28Å; F318-K320 VanDerWaalsContact C-N 3.31Å; F318-K320 PolarHBondContact O-N 3.42Å; K320-Y322 VanDerWaalsContact C-N 3.31Å; K320-Y322 PolarHBondContact O-N 2.98Å; K320-R323 PolarHBondContact O-N 3.42Å; K320-E324 WeakPolarHBondContact CE-OE1 3.47Å; K320-E324 IonicContact NZ-OE1 3.69Å; K320-E324 WeakPolarHBondContact O-CG 3.27Å; K320-E324 PolarHBondContact O-N 3.18Å; K320-E324 VanDerWaalsContact O-N 3.07Å
321	N	96.9	Very high	96.8	Very high	19 Å²	19	47.3 Å²	47.3	10%	0.102	23%	0.227	C	C	.	.	H	α-helix	trans	-65.1	-38	-172.3	-159.7	-25.9	0	0	0	110.5	A317 R323 E324 Q325 I576 I577	A317-N321 WeakPolarHBondContact O-CB 3.33Å; A317-N321 PolarHBondContact O-N 3.06Å; N321-R323 VanDerWaalsContact C-N 3.3Å; N321-R323 PolarHBondContact O-N 2.98Å; N321-E324 CarbonylContact O-C 3.51Å; N321-E324 PolarHBondContact O-N 2.72Å; N321-Q325 WeakPolarHBondContact O-CG 3.41Å; N321-Q325 PolarHBondContact O-N 2.73Å; N321-Q325 WeakPolarHBondContact OD1-CG 3.44Å; N321-Q325 PolarHBondContact OD1-NE2 2.65Å; N321-I576 VanDerWaalsContact CB-O 3.27Å; N321-I576 WeakPolarHBondContact CB-O 3.5Å; N321-I576 PolarHBondContact ND2-O 3.15Å; N321-I577 PolarHBondContact ND2-O 2.87Å; N321-I577 VanDerWaalsContact ND2-O 3.16Å
322	Y	97.8	Very high	97	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-68.6	-28.5	-178.9	-79.9	-130	0	0	0	112.9	F318 K320 G326 A330 F342 L345 L346 T575 I576	F318-Y322 AromaticContact CD2-CD1 3.71Å; F318-Y322 HydrophobicContact CD2-CD1 3.71Å; F318-Y322 AromaticContact CD2-CD2 3.56Å; F318-Y322 HydrophobicContact CD2-CD2 3.56Å; F318-Y322 AromaticContact CD2-CE1 3.9Å; F318-Y322 HydrophobicContact CD2-CE1 3.9Å; F318-Y322 AromaticContact CD2-CE2 3.73Å; F318-Y322 HydrophobicContact CD2-CE2 3.73Å; F318-Y322 AromaticContact CD2-CG 3.59Å; F318-Y322 HydrophobicContact CD2-CG 3.59Å; F318-Y322 AromaticContact CD2-CZ 3.9Å; F318-Y322 AromaticContact CE2-CD1 3.32Å; F318-Y322 HydrophobicContact CE2-CD1 3.32Å; F318-Y322 HydrophobicContact CE2-CD2 4.09Å; F318-Y322 AromaticContact CE2-CE1 3.45Å; F318-Y322 HydrophobicContact CE2-CE1 3.45Å; F318-Y322 VanDerWaalsContact CE2-CE1 3.45Å; F318-Y322 HydrophobicContact CE2-CE2 4.17Å; F318-Y322 AromaticContact CE2-CG 3.7Å; F318-Y322 HydrophobicContact CE2-CG 3.7Å; F318-Y322 AromaticContact CE2-CZ 3.88Å; F318-Y322 HydrophobicContact CZ-CD1 4.41Å; F318-Y322 WeakPolarHBondContact O-CB 3.28Å; F318-Y322 WeakPolarHBondContact O-CD2 3.27Å; F318-Y322 PolarHBondContact O-N 3.44Å; K320-Y322 VanDerWaalsContact C-N 3.31Å; K320-Y322 PolarHBondContact O-N 2.98Å; Y322-G326 PolarHBondContact O-N 2.9Å; Y322-A330 HydrophobicContact CE1-CB 4.07Å; Y322-F342 HydrophobicContact CD1-CB 3.85Å; Y322-F342 AromaticContact CD1-CD1 3.69Å; Y322-F342 HydrophobicContact CD1-CD1 3.69Å; Y322-F342 HydrophobicContact CD1-CG 4.22Å; Y322-F342 WeakPolarHBondContact CD1-O 3.41Å; Y322-F342 AromaticContact CD2-CD1 3.59Å; Y322-F342 HydrophobicContact CD2-CD1 3.59Å; Y322-F342 HydrophobicContact CD2-CE1 4.23Å; Y322-F342 HydrophobicContact CE1-CB 4.4Å; Y322-F342 AromaticContact CE1-CD1 3.65Å; Y322-F342 HydrophobicContact CE1-CD1 3.65Å; Y322-F342 HydrophobicContact CE1-CE1 4.35Å; Y322-F342 HydrophobicContact CE1-CG 4.38Å; Y322-F342 AromaticContact CE2-CD1 3.55Å; Y322-F342 HydrophobicContact CE2-CD1 3.55Å; Y322-F342 AromaticContact CE2-CE1 3.82Å; Y322-F342 HydrophobicContact CE2-CE1 3.82Å; Y322-F342 HydrophobicContact CG-CB 4.01Å; Y322-F342 AromaticContact CG-CD1 3.64Å; Y322-F342 HydrophobicContact CG-CD1 3.64Å; Y322-F342 HydrophobicContact CG-CG 4.32Å; Y322-F342 AromaticContact CZ-CD1 3.58Å; Y322-F342 AromaticContact CZ-CE1 3.88Å; Y322-F342 WeakPolarHBondContact O-CB 3.42Å; Y322-L345 HydrophobicContact CD1-CB 4.46Å; Y322-L345 HydrophobicContact CE1-CB 4.17Å; Y322-L345 HydrophobicContact CE1-CD2 4.02Å; Y322-L345 HydrophobicContact CE1-CG 4.2Å; Y322-L346 HydrophobicContact CD1-CB 4.42Å; Y322-T575 WeakPolarHBondContact OH-CB 3.32Å; Y322-T575 PolarHBondContact OH-OG1 2.75Å; Y322-I576 HydrophobicContact CE2-CB 4.44Å; Y322-I576 HydrophobicContact CE2-CG1 3.77Å
323	R	97	Very high	97.1	Very high	133 Å²	133	40.5 Å²	40.5	50%	0.502	19%	0.188	S	C	.	.	H	α-helix	trans	-72.3	-37.9	168	-72.7	-178.9	-174.3	155.9	12.8	112.6	E319 K320 N321 G326 L346	E319-R323 VanDerWaalsContact CD-NH2 3.31Å; E319-R323 VanDerWaalsContact O-CG 3.32Å; E319-R323 WeakPolarHBondContact O-CG 3.31Å; E319-R323 PolarHBondContact O-N 3.47Å; E319-R323 IonicContact OE1-CZ 3.15Å; E319-R323 IonicContact OE1-NH1 2.73Å; E319-R323 PolarHBondContact OE1-NH1 3.32Å; E319-R323 IonicContact OE1-NH2 2.72Å; E319-R323 PolarHBondContact OE1-NH2 3.4Å; K320-R323 PolarHBondContact O-N 3.42Å; N321-R323 VanDerWaalsContact C-N 3.3Å; N321-R323 PolarHBondContact O-N 2.98Å; R323-G326 PolarHBondContact O-N 3.12Å; R323-L346 HydrophobicContact CG-CD2 3.64Å
324	E	97.2	Very high	97.2	Very high	122 Å²	122	41.5 Å²	41.5	57%	0.57	19%	0.194	S	C	*	.	H	α-helix	trans	-66.8	-37.5	177.4	-70.2	170.6	168.3	0	0	112.3	K320 N321	K320-E324 WeakPolarHBondContact CE-OE1 3.47Å; K320-E324 IonicContact NZ-OE1 3.69Å; K320-E324 WeakPolarHBondContact O-CG 3.27Å; K320-E324 PolarHBondContact O-N 3.18Å; K320-E324 VanDerWaalsContact O-N 3.07Å; N321-E324 CarbonylContact O-C 3.51Å; N321-E324 PolarHBondContact O-N 2.72Å
325	Q	97.3	Very high	96.9	Very high	39 Å²	39	46.5 Å²	46.5	18%	0.182	22%	0.217	C	C	.	.	H	α-helix	trans	-76.7	-25.6	174.1	-57.1	-55.3	-42.5	0	0	113.8	N321 I327 R328 F342	N321-Q325 WeakPolarHBondContact O-CG 3.41Å; N321-Q325 PolarHBondContact O-N 2.73Å; N321-Q325 WeakPolarHBondContact OD1-CG 3.44Å; N321-Q325 PolarHBondContact OD1-NE2 2.65Å; Q325-I327 PolarHBondContact O-N 3.03Å; Q325-R328 PolarHBondContact O-N 3.31Å; Q325-F342 HydrophobicContact CB-CB 3.81Å; Q325-F342 HydrophobicContact CB-CD1 3.86Å; Q325-F342 HydrophobicContact CB-CD2 3.36Å; Q325-F342 HydrophobicContact CB-CE1 4.32Å; Q325-F342 HydrophobicContact CB-CE2 3.89Å; Q325-F342 HydrophobicContact CB-CG 3.39Å; Q325-F342 HydrophobicContact CB-CZ 4.35Å; Q325-F342 HydrophobicContact CG-CD1 3.84Å; Q325-F342 HydrophobicContact CG-CD2 3.98Å; Q325-F342 HydrophobicContact CG-CE1 3.92Å; Q325-F342 HydrophobicContact CG-CE2 4.06Å; Q325-F342 HydrophobicContact CG-CG 3.91Å; Q325-F342 HydrophobicContact CG-CZ 4.05Å
326	G	96.7	Very high	96.8	Very high	16 Å²	16	48.1 Å²	48.1	17%	0.165	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	59	-120.4	174.4	0	0	0	0	0	114.6	Y322 R323 R328 L343	Y322-G326 PolarHBondContact O-N 2.9Å; R323-G326 PolarHBondContact O-N 3.12Å; G326-R328 VanDerWaalsContact C-N 3.33Å; G326-R328 PolarHBondContact O-N 3.22Å; G326-L343 WeakPolarHBondContact O-CB 3.18Å; G326-L343 PolarHBondContact O-N 2.73Å
327	I	97.7	Very high	96.8	Very high	149 Å²	149	52.1 Å²	52.1	76%	0.764	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.4	13	-173.2	65.3	168.4	0	0	0	114.4	Q325 T341	Q325-I327 PolarHBondContact O-N 3.03Å; I327-T341 WeakPolarHBondContact O-CG2 3.24Å
328	R	97.7	Very high	96.8	Very high	91 Å²	91	53.5 Å²	53.5	34%	0.343	25%	0.251	S	S	.	.	S	Bend	trans	-67	148.6	168.2	-77.3	164	43.6	89.2	10.7	110.2	Q325 G326 A330 T341 F342 S552 G579	Q325-R328 PolarHBondContact O-N 3.31Å; G326-R328 VanDerWaalsContact C-N 3.33Å; G326-R328 PolarHBondContact O-N 3.22Å; R328-A330 PolarHBondContact O-N 3.27Å; R328-T341 CarbonylContact O-C 3.57Å; R328-T341 WeakPolarHBondContact O-CA 3.42Å; R328-T341 WeakPolarHBondContact O-CB 3.25Å; R328-F342 HydrophobicContact CB-CD2 3.74Å; R328-F342 HydrophobicContact CB-CE2 3.89Å; R328-F342 WeakPolarHBondContact O-CD2 3.5Å; R328-F342 PolarHBondContact O-N 2.84Å; R328-S552 VanDerWaalsContact CZ-O 3.24Å; R328-S552 PolarHBondContact NH1-O 3.08Å; R328-S552 PolarHBondContact NH2-O 3.49Å; R328-G579 PolarHBondContact NH2-O 2.97Å
329	E	97.6	Very high	96.8	Very high	75 Å²	75	58 Å²	58	35%	0.35	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	124.9	170.4	-69.4	173.4	89.7	0	0	111	Q339 F342 K581	E329-Q339 PolarHBondContact OE1-NE2 2.94Å; E329-Q339 VanDerWaalsContact OE1-NE2 3.08Å; E329-F342 WeakPolarHBondContact O-CE2 3.47Å; E329-K581 HydrophobicContact CB-CD 3.95Å; E329-K581 HydrophobicContact CB-CG 4.46Å; E329-K581 WeakPolarHBondContact OE1-CE 3.26Å; E329-K581 IonicContact OE1-NZ 2.61Å; E329-K581 PolarHBondContact OE1-NZ 2.94Å; E329-K581 IonicContact OE2-NZ 2.71Å; E329-K581 PolarHBondContact OE2-NZ 3.04Å
330	A	98.1	Very high	96.9	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	-48.2	174.4	0	0	0	0	0	111.8	Y322 R328 Y340 F342 K581 A582	Y322-A330 HydrophobicContact CE1-CB 4.07Å; R328-A330 PolarHBondContact O-N 3.27Å; A330-Y340 PolarHBondContact N-O 3.3Å; A330-F342 HydrophobicContact CB-CB 4.32Å; A330-F342 HydrophobicContact CB-CD1 3.63Å; A330-F342 HydrophobicContact CB-CD2 3.74Å; A330-F342 HydrophobicContact CB-CE1 3.72Å; A330-F342 HydrophobicContact CB-CE2 3.82Å; A330-F342 HydrophobicContact CB-CG 3.62Å; A330-F342 HydrophobicContact CB-CZ 3.79Å; A330-K581 WeakPolarHBondContact O-CA 3.27Å; A330-A582 PolarHBondContact O-N 3Å
331	F	98.5	Very high	97	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	144.1	-173.6	-92.1	-93.7	0	0	0	112	F333 Q339 Y340 L345 L378 T571 V572 T575 A582	F331-F333 HydrophobicContact CB-CE2 4.09Å; F331-F333 AromaticContact CD1-CE2 3.85Å; F331-F333 HydrophobicContact CD1-CE2 3.85Å; F331-F333 HydrophobicContact CD1-CZ 4.09Å; F331-F333 HydrophobicContact CG-CE2 4.33Å; F331-Q339 WeakPolarHBondContact O-CA 3.43Å; F331-Y340 PolarHBondContact N-O 3.38Å; F331-Y340 PolarHBondContact O-N 3.2Å; F331-L345 HydrophobicContact CB-CD2 4.31Å; F331-L345 HydrophobicContact CD2-CD2 3.74Å; F331-L345 HydrophobicContact CE2-CD2 4.48Å; F331-L345 HydrophobicContact CG-CD2 4.31Å; F331-L378 HydrophobicContact CB-CD2 4.02Å; F331-L378 HydrophobicContact CD1-CD2 3.44Å; F331-L378 VanDerWaalsContact CD1-CD2 3.44Å; F331-L378 HydrophobicContact CD2-CD2 3.69Å; F331-L378 HydrophobicContact CE1-CD1 4.13Å; F331-L378 HydrophobicContact CE1-CD2 3.7Å; F331-L378 HydrophobicContact CE2-CD1 4.1Å; F331-L378 HydrophobicContact CE2-CD2 3.93Å; F331-L378 HydrophobicContact CG-CD2 3.43Å; F331-L378 VanDerWaalsContact CG-CD2 3.43Å; F331-L378 HydrophobicContact CZ-CD1 3.81Å; F331-L378 HydrophobicContact CZ-CD2 3.94Å; F331-T571 HydrophobicContact CE1-CG2 4.32Å; F331-T571 WeakPolarHBondContact CZ-O 3.32Å; F331-V572 HydrophobicContact CZ-CG2 4.29Å; F331-T575 HydrophobicContact CE2-CG2 3.75Å; F331-T575 HydrophobicContact CZ-CG2 4.13Å; F331-A582 CarbonylContact C-O 3.56Å; F331-A582 WeakPolarHBondContact CA-O 3.38Å; F331-A582 HydrophobicContact CD1-CB 3.72Å; F331-A582 HydrophobicContact CD2-CB 4.38Å; F331-A582 HydrophobicContact CE1-CB 3.44Å; F331-A582 VanDerWaalsContact CE1-CB 3.44Å; F331-A582 HydrophobicContact CE2-CB 4.14Å; F331-A582 HydrophobicContact CG-CB 4.2Å; F331-A582 HydrophobicContact CZ-CB 3.67Å
332	V	98.3	Very high	97.1	Very high	2 Å²	2	54 Å²	54	1%	0.012	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	125.8	171.8	177.1	0	0	0	0	109.5	V334 Q339 K581 A582 V583 I584 F601	V332-V334 HydrophobicContact CG1-CG2 3.88Å; V332-Q339 HydrophobicContact CG1-CG 4.21Å; V332-Q339 HydrophobicContact CG2-CB 4.43Å; V332-Q339 HydrophobicContact CG2-CG 4.14Å; V332-K581 VanDerWaalsContact CG2-CE 3.49Å; V332-A582 PolarHBondContact N-O 3.22Å; V332-V583 HydrophobicContact CB-CG2 4.44Å; V332-I584 PolarHBondContact O-N 3.4Å; V332-F601 HydrophobicContact CG1-CE1 3.95Å; V332-F601 HydrophobicContact CG1-CE2 3.99Å; V332-F601 HydrophobicContact CG1-CZ 3.65Å; V332-F601 HydrophobicContact CG2-CD1 4.49Å; V332-F601 HydrophobicContact CG2-CE1 4.35Å
333	F	97.3	Very high	97.1	Very high	3 Å²	3	56.1 Å²	56.1	1%	0.013	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	99.2	171.4	-68.7	-99.2	0	0	0	108	F331 E335 E336 H337 V338 L378 I584	F331-F333 HydrophobicContact CB-CE2 4.09Å; F331-F333 AromaticContact CD1-CE2 3.85Å; F331-F333 HydrophobicContact CD1-CE2 3.85Å; F331-F333 HydrophobicContact CD1-CZ 4.09Å; F331-F333 HydrophobicContact CG-CE2 4.33Å; F333-E335 PolarHBondContact O-N 3.29Å; F333-E336 HydrophobicContact CB-CB 3.96Å; F333-E336 HydrophobicContact CB-CG 4.15Å; F333-E336 VanDerWaalsContact CB-OE2 3.31Å; F333-E336 WeakPolarHBondContact CB-OE2 3.4Å; F333-E336 WeakPolarHBondContact CD1-OE2 3.43Å; F333-E336 WeakPolarHBondContact CG-OE2 3.39Å; F333-E336 PolarHBondContact O-N 2.73Å; F333-H337 PolarHBondContact O-N 3.42Å; F333-V338 HydrophobicContact CB-CB 4.37Å; F333-V338 PolarHBondContact N-O 3.17Å; F333-V338 PolarHBondContact O-N 3.42Å; F333-L378 HydrophobicContact CE2-CD2 3.64Å; F333-L378 HydrophobicContact CZ-CB 3.93Å; F333-L378 HydrophobicContact CZ-CD2 3.72Å; F333-L378 HydrophobicContact CZ-CG 4.47Å; F333-I584 HydrophobicContact CD1-CB 3.73Å; F333-I584 HydrophobicContact CD1-CG1 3.92Å; F333-I584 HydrophobicContact CD1-CG2 3.87Å; F333-I584 HydrophobicContact CE1-CB 3.96Å; F333-I584 HydrophobicContact CE1-CG1 3.64Å; F333-I584 HydrophobicContact CE1-CG2 4.06Å; F333-I584 HydrophobicContact CG-CB 4.29Å; F333-I584 HydrophobicContact CG-CG1 4.49Å; F333-I584 HydrophobicContact CZ-CG1 3.97Å
334	V	97	Very high	97.2	Very high	25 Å²	25	54 Å²	54	15%	0.152	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-38.2	-161.7	-175.5	0	0	0	0	112.3	V332 H337 V583 I584 A597 F601	V332-V334 HydrophobicContact CG1-CG2 3.88Å; V334-H337 PolarHBondContact O-N 3.37Å; V334-H337 PolarHBondContact O-ND1 3.21Å; V334-V583 HydrophobicContact CG2-CG1 3.79Å; V334-I584 WeakPolarHBondContact CG2-O 3.1Å; V334-I584 PolarHBondContact N-O 2.78Å; V334-A597 HydrophobicContact CG2-CB 4.22Å; V334-F601 HydrophobicContact CB-CE2 4.47Å; V334-F601 HydrophobicContact CG1-CE2 4.12Å; V334-F601 HydrophobicContact CG2-CD2 4.09Å; V334-F601 HydrophobicContact CG2-CE2 3.54Å; V334-F601 HydrophobicContact CG2-CZ 4.39Å
335	E	92.8	Very high	97.2	Very high	104 Å²	104	48.2 Å²	48.2	49%	0.486	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-32.2	176.9	-177.5	169.6	-109.6	0	0	113.1	F333 H337 S586 E587	F333-E335 PolarHBondContact O-N 3.29Å; E335-H337 VanDerWaalsContact C-N 3.27Å; E335-S586 VanDerWaalsContact OE1-CB 3.25Å; E335-S586 WeakPolarHBondContact OE1-CB 3.18Å; E335-S586 WeakPolarHBondContact OE2-CA 3.42Å; E335-S586 WeakPolarHBondContact OE2-CB 3.37Å; E335-E587 PolarHBondContact OE2-N 3.48Å
336	E	93	Very high	97.2	Very high	35 Å²	35	46.4 Å²	46.4	16%	0.164	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-12	175.4	-62	177.6	72.4	0	0	112.6	F333 V338 R374 S375	F333-E336 HydrophobicContact CB-CB 3.96Å; F333-E336 HydrophobicContact CB-CG 4.15Å; F333-E336 VanDerWaalsContact CB-OE2 3.31Å; F333-E336 WeakPolarHBondContact CB-OE2 3.4Å; F333-E336 WeakPolarHBondContact CD1-OE2 3.43Å; F333-E336 WeakPolarHBondContact CG-OE2 3.39Å; F333-E336 PolarHBondContact O-N 2.73Å; E336-V338 HydrophobicContact CB-CB 4.13Å; E336-V338 HydrophobicContact CB-CG2 3.9Å; E336-V338 PolarHBondContact O-N 2.86Å; E336-V338 VanDerWaalsContact O-N 3.15Å; E336-R374 VanDerWaalsContact CD-NE 3.35Å; E336-R374 IonicContact OE1-CZ 3.64Å; E336-R374 IonicContact OE1-NE 2.75Å; E336-R374 PolarHBondContact OE1-NE 3.13Å; E336-R374 IonicContact OE1-NH1 3.02Å; E336-R374 IonicContact OE1-NH2 3.4Å; E336-R374 PolarHBondContact OE1-NH2 2.94Å; E336-R374 VanDerWaalsContact OE2-CA 3.31Å; E336-R374 WeakPolarHBondContact OE2-CA 3.46Å; E336-R374 IonicContact OE2-NE 3.72Å; E336-S375 VanDerWaalsContact OE1-CB 3.29Å; E336-S375 WeakPolarHBondContact OE1-CB 3.44Å; E336-S375 PolarHBondContact OE1-N 3.41Å; E336-S375 PolarHBondContact OE1-OG 3.21Å; E336-S375 PolarHBondContact OE2-N 3.32Å
337	H	95.5	Very high	97.1	Very high	157 Å²	157	53 Å²	53	73%	0.727	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.9	18.3	-168.1	-56.1	-34.2	0	0	0	114.2	F333 V334 E335	F333-H337 PolarHBondContact O-N 3.42Å; V334-H337 PolarHBondContact O-N 3.37Å; V334-H337 PolarHBondContact O-ND1 3.21Å; E335-H337 VanDerWaalsContact C-N 3.27Å
338	V	96.6	Very high	97	Very high	36 Å²	36	48.4 Å²	48.4	22%	0.218	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	134.9	178.9	170.3	0	0	0	0	110.4	F333 E336 Y340	F333-V338 HydrophobicContact CB-CB 4.37Å; F333-V338 PolarHBondContact N-O 3.17Å; F333-V338 PolarHBondContact O-N 3.42Å; E336-V338 HydrophobicContact CB-CB 4.13Å; E336-V338 HydrophobicContact CB-CG2 3.9Å; E336-V338 PolarHBondContact O-N 2.86Å; E336-V338 VanDerWaalsContact O-N 3.15Å; V338-Y340 HydrophobicContact CG1-CD1 4.24Å; V338-Y340 HydrophobicContact CG1-CD2 4.12Å; V338-Y340 HydrophobicContact CG1-CE1 3.74Å; V338-Y340 HydrophobicContact CG1-CE2 3.62Å; V338-Y340 HydrophobicContact CG1-CG 4.41Å; V338-Y340 VanDerWaalsContact CG1-CZ 3.41Å
339	Q	97.5	Very high	96.9	Very high	95 Å²	95	44.1 Å²	44.1	44%	0.444	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	138.8	170.5	-52.4	-166.5	-69.2	0	0	108.2	E329 F331 V332	E329-Q339 PolarHBondContact OE1-NE2 2.94Å; E329-Q339 VanDerWaalsContact OE1-NE2 3.08Å; F331-Q339 WeakPolarHBondContact O-CA 3.43Å; V332-Q339 HydrophobicContact CG1-CG 4.21Å; V332-Q339 HydrophobicContact CG2-CB 4.43Å; V332-Q339 HydrophobicContact CG2-CG 4.14Å
340	Y	98.3	Very high	96.8	Very high	28 Å²	28	41.4 Å²	41.4	11%	0.11	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	134	174.2	-59.5	-55.4	0	0	0	110.8	A330 F331 V338 L345 M348	A330-Y340 PolarHBondContact N-O 3.3Å; F331-Y340 PolarHBondContact N-O 3.38Å; F331-Y340 PolarHBondContact O-N 3.2Å; V338-Y340 HydrophobicContact CG1-CD1 4.24Å; V338-Y340 HydrophobicContact CG1-CD2 4.12Å; V338-Y340 HydrophobicContact CG1-CE1 3.74Å; V338-Y340 HydrophobicContact CG1-CE2 3.62Å; V338-Y340 HydrophobicContact CG1-CG 4.41Å; V338-Y340 VanDerWaalsContact CG1-CZ 3.41Å; Y340-L345 HydrophobicContact CD2-CD1 3.87Å; Y340-L345 HydrophobicContact CD2-CD2 4.3Å; Y340-L345 HydrophobicContact CD2-CG 4.49Å; Y340-L345 HydrophobicContact CE2-CD1 4.17Å; Y340-L345 HydrophobicContact CG-CB 4.39Å; Y340-L345 HydrophobicContact CG-CD1 4.37Å; Y340-M348 HydrophobicContact CD1-SD 4.04Å; Y340-M348 HydrophobicContact CE1-CE 3.79Å; Y340-M348 HydrophobicContact CE1-SD 3.55Å; Y340-M348 VanDerWaalsContact CE1-SD 3.55Å
341	T	98.6	Very high	96.7	Very high	24 Å²	24	45.6 Å²	45.6	15%	0.147	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	162.7	159.2	63.8	0	0	0	0	111.4	I327 R328 L343 E344 L345	I327-T341 WeakPolarHBondContact O-CG2 3.24Å; R328-T341 CarbonylContact O-C 3.57Å; R328-T341 WeakPolarHBondContact O-CA 3.42Å; R328-T341 WeakPolarHBondContact O-CB 3.25Å; T341-L343 VanDerWaalsContact C-N 3.33Å; T341-L343 PolarHBondContact O-N 3.14Å; T341-E344 VanDerWaalsContact CB-OE2 3.28Å; T341-E344 WeakPolarHBondContact CB-OE2 3.47Å; T341-E344 VanDerWaalsContact CG2-OE2 3.29Å; T341-E344 WeakPolarHBondContact CG2-OE2 3.38Å; T341-E344 PolarHBondContact N-OE2 3.31Å; T341-E344 PolarHBondContact O-N 2.92Å; T341-E344 WeakPolarHBondContact OG1-CB 3.36Å; T341-E344 VanDerWaalsContact OG1-CG 3.23Å; T341-E344 WeakPolarHBondContact OG1-CG 3.18Å; T341-E344 PolarHBondContact OG1-N 2.91Å; T341-E344 PolarHBondContact OG1-OE2 3.11Å; T341-L345 WeakPolarHBondContact O-CB 3.22Å; T341-L345 PolarHBondContact O-N 2.88Å
342	F	98.6	Very high	96.5	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-55.8	-48.8	173.4	-71	-91.4	0	0	0	110.8	Y322 Q325 R328 E329 A330 E344 L345 L346 G579	Y322-F342 HydrophobicContact CD1-CB 3.85Å; Y322-F342 AromaticContact CD1-CD1 3.69Å; Y322-F342 HydrophobicContact CD1-CD1 3.69Å; Y322-F342 HydrophobicContact CD1-CG 4.22Å; Y322-F342 WeakPolarHBondContact CD1-O 3.41Å; Y322-F342 AromaticContact CD2-CD1 3.59Å; Y322-F342 HydrophobicContact CD2-CD1 3.59Å; Y322-F342 HydrophobicContact CD2-CE1 4.23Å; Y322-F342 HydrophobicContact CE1-CB 4.4Å; Y322-F342 AromaticContact CE1-CD1 3.65Å; Y322-F342 HydrophobicContact CE1-CD1 3.65Å; Y322-F342 HydrophobicContact CE1-CE1 4.35Å; Y322-F342 HydrophobicContact CE1-CG 4.38Å; Y322-F342 AromaticContact CE2-CD1 3.55Å; Y322-F342 HydrophobicContact CE2-CD1 3.55Å; Y322-F342 AromaticContact CE2-CE1 3.82Å; Y322-F342 HydrophobicContact CE2-CE1 3.82Å; Y322-F342 HydrophobicContact CG-CB 4.01Å; Y322-F342 AromaticContact CG-CD1 3.64Å; Y322-F342 HydrophobicContact CG-CD1 3.64Å; Y322-F342 HydrophobicContact CG-CG 4.32Å; Y322-F342 AromaticContact CZ-CD1 3.58Å; Y322-F342 AromaticContact CZ-CE1 3.88Å; Y322-F342 WeakPolarHBondContact O-CB 3.42Å; Q325-F342 HydrophobicContact CB-CB 3.81Å; Q325-F342 HydrophobicContact CB-CD1 3.86Å; Q325-F342 HydrophobicContact CB-CD2 3.36Å; Q325-F342 HydrophobicContact CB-CE1 4.32Å; Q325-F342 HydrophobicContact CB-CE2 3.89Å; Q325-F342 HydrophobicContact CB-CG 3.39Å; Q325-F342 HydrophobicContact CB-CZ 4.35Å; Q325-F342 HydrophobicContact CG-CD1 3.84Å; Q325-F342 HydrophobicContact CG-CD2 3.98Å; Q325-F342 HydrophobicContact CG-CE1 3.92Å; Q325-F342 HydrophobicContact CG-CE2 4.06Å; Q325-F342 HydrophobicContact CG-CG 3.91Å; Q325-F342 HydrophobicContact CG-CZ 4.05Å; R328-F342 HydrophobicContact CB-CD2 3.74Å; R328-F342 HydrophobicContact CB-CE2 3.89Å; R328-F342 WeakPolarHBondContact O-CD2 3.5Å; R328-F342 PolarHBondContact O-N 2.84Å; E329-F342 WeakPolarHBondContact O-CE2 3.47Å; A330-F342 HydrophobicContact CB-CB 4.32Å; A330-F342 HydrophobicContact CB-CD1 3.63Å; A330-F342 HydrophobicContact CB-CD2 3.74Å; A330-F342 HydrophobicContact CB-CE1 3.72Å; A330-F342 HydrophobicContact CB-CE2 3.82Å; A330-F342 HydrophobicContact CB-CG 3.62Å; A330-F342 HydrophobicContact CB-CZ 3.79Å; F342-E344 PolarHBondContact O-N 3.4Å; F342-L345 PolarHBondContact O-N 2.67Å; F342-L346 PolarHBondContact O-N 2.72Å; F342-G579 VanDerWaalsContact CZ-O 3.23Å; F342-G579 WeakPolarHBondContact CZ-O 3.26Å
343	L	98	Very high	96.4	Very high	44 Å²	44	45.6 Å²	45.6	23%	0.23	21%	0.21	C	C	.	.	H	α-helix	trans	-66.2	-33.4	-178.4	-174.3	58.9	0	0	0	113.7	G326 T341 R347	G326-L343 WeakPolarHBondContact O-CB 3.18Å; G326-L343 PolarHBondContact O-N 2.73Å; T341-L343 VanDerWaalsContact C-N 3.33Å; T341-L343 PolarHBondContact O-N 3.14Å; L343-R347 WeakPolarHBondContact O-CD 3.42Å; L343-R347 WeakPolarHBondContact O-CG 3.45Å; L343-R347 PolarHBondContact O-N 2.95Å
344	E	97.9	Very high	96.3	Very high	89 Å²	89	45.7 Å²	45.7	42%	0.416	21%	0.211	S	C	.	.	H	α-helix	trans	-69.7	-47.5	174.2	-73	158.9	153	0	0	111.9	T341 F342 L346 R347 M348	T341-E344 VanDerWaalsContact CB-OE2 3.28Å; T341-E344 WeakPolarHBondContact CB-OE2 3.47Å; T341-E344 VanDerWaalsContact CG2-OE2 3.29Å; T341-E344 WeakPolarHBondContact CG2-OE2 3.38Å; T341-E344 PolarHBondContact N-OE2 3.31Å; T341-E344 PolarHBondContact O-N 2.92Å; T341-E344 WeakPolarHBondContact OG1-CB 3.36Å; T341-E344 VanDerWaalsContact OG1-CG 3.23Å; T341-E344 WeakPolarHBondContact OG1-CG 3.18Å; T341-E344 PolarHBondContact OG1-N 2.91Å; T341-E344 PolarHBondContact OG1-OE2 3.11Å; F342-E344 PolarHBondContact O-N 3.4Å; E344-L346 VanDerWaalsContact C-N 3.29Å; E344-L346 PolarHBondContact O-N 3.12Å; E344-R347 PolarHBondContact O-N 2.86Å; E344-R347 VanDerWaalsContact O-N 3.13Å; E344-M348 WeakPolarHBondContact O-CG 3.36Å; E344-M348 PolarHBondContact O-N 2.96Å
345	L	97.8	Very high	96.2	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-63.8	-35.9	-178.8	-173.2	48.6	0	0	0	111.7	Y322 F331 Y340 T341 F342 A349 L378 L379 L382	Y322-L345 HydrophobicContact CD1-CB 4.46Å; Y322-L345 HydrophobicContact CE1-CB 4.17Å; Y322-L345 HydrophobicContact CE1-CD2 4.02Å; Y322-L345 HydrophobicContact CE1-CG 4.2Å; F331-L345 HydrophobicContact CB-CD2 4.31Å; F331-L345 HydrophobicContact CD2-CD2 3.74Å; F331-L345 HydrophobicContact CE2-CD2 4.48Å; F331-L345 HydrophobicContact CG-CD2 4.31Å; Y340-L345 HydrophobicContact CD2-CD1 3.87Å; Y340-L345 HydrophobicContact CD2-CD2 4.3Å; Y340-L345 HydrophobicContact CD2-CG 4.49Å; Y340-L345 HydrophobicContact CE2-CD1 4.17Å; Y340-L345 HydrophobicContact CG-CB 4.39Å; Y340-L345 HydrophobicContact CG-CD1 4.37Å; T341-L345 WeakPolarHBondContact O-CB 3.22Å; T341-L345 PolarHBondContact O-N 2.88Å; F342-L345 PolarHBondContact O-N 2.67Å; L345-A349 WeakPolarHBondContact O-CB 3.41Å; L345-A349 PolarHBondContact O-N 2.85Å; L345-L378 HydrophobicContact CD1-CD2 4.5Å; L345-L378 HydrophobicContact CD2-CD2 3.82Å; L345-L378 HydrophobicContact CD2-CG 4.49Å; L345-L379 HydrophobicContact CD1-CD1 3.86Å; L345-L382 HydrophobicContact CD1-CD1 3.85Å; L345-L382 HydrophobicContact CD2-CD1 3.8Å; L345-L382 HydrophobicContact CG-CD1 3.66Å
346	L	96.7	Very high	96.3	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.01	18%	0.181	C	C	.	.	H	α-helix	trans	-62.5	-50.5	170.5	178	60.7	0	0	0	111.7	F318 E319 Y322 R323 F342 E344 M348 A349 D350	F318-L346 HydrophobicContact CD1-CD1 4.09Å; F318-L346 HydrophobicContact CE1-CD1 3.75Å; F318-L346 HydrophobicContact CE2-CD1 4.43Å; F318-L346 HydrophobicContact CZ-CB 4.33Å; F318-L346 HydrophobicContact CZ-CD1 3.94Å; E319-L346 HydrophobicContact CB-CD1 4.36Å; E319-L346 HydrophobicContact CG-CD2 4.5Å; Y322-L346 HydrophobicContact CD1-CB 4.42Å; R323-L346 HydrophobicContact CG-CD2 3.64Å; F342-L346 PolarHBondContact O-N 2.72Å; E344-L346 VanDerWaalsContact C-N 3.29Å; E344-L346 PolarHBondContact O-N 3.12Å; L346-M348 VanDerWaalsContact C-N 3.31Å; L346-M348 PolarHBondContact O-N 2.8Å; L346-A349 PolarHBondContact O-N 3.08Å; L346-D350 WeakPolarHBondContact O-CB 3.4Å; L346-D350 PolarHBondContact O-N 2.81Å
347	R	95.4	Very high	96.4	Very high	154 Å²	154	39.7 Å²	39.7	58%	0.581	18%	0.182	S	C	*	.	H	α-helix	trans	-59.8	-39.8	179.7	-75.4	166.7	173.6	174.2	-2.8	112.9	L343 E344 R351	L343-R347 WeakPolarHBondContact O-CD 3.42Å; L343-R347 WeakPolarHBondContact O-CG 3.45Å; L343-R347 PolarHBondContact O-N 2.95Å; E344-R347 PolarHBondContact O-N 2.86Å; E344-R347 VanDerWaalsContact O-N 3.13Å; R347-R351 WeakPolarHBondContact O-CB 3.29Å; R347-R351 PolarHBondContact O-N 2.82Å
348	M	95.6	Very high	96.3	Very high	53 Å²	53	34.8 Å²	34.8	26%	0.261	17%	0.169	S	C	.	.	H	α-helix	trans	-72.1	-39	178	-66.4	178.4	61.8	0	0	111.3	Y340 E344 L346 R351 L352 L379 F493	Y340-M348 HydrophobicContact CD1-SD 4.04Å; Y340-M348 HydrophobicContact CE1-CE 3.79Å; Y340-M348 HydrophobicContact CE1-SD 3.55Å; Y340-M348 VanDerWaalsContact CE1-SD 3.55Å; E344-M348 WeakPolarHBondContact O-CG 3.36Å; E344-M348 PolarHBondContact O-N 2.96Å; L346-M348 VanDerWaalsContact C-N 3.31Å; L346-M348 PolarHBondContact O-N 2.8Å; M348-R351 PolarHBondContact O-N 2.98Å; M348-L352 PolarHBondContact O-N 2.87Å; M348-L379 HydrophobicContact CB-CD1 3.56Å; M348-L379 HydrophobicContact CB-CD2 4.4Å; M348-L379 HydrophobicContact CE-CD2 4.17Å; M348-F493 HydrophobicContact CB-CE2 4.17Å; M348-F493 HydrophobicContact CB-CZ 4.33Å; M348-F493 HydrophobicContact CE-CZ 4.27Å; M348-F493 HydrophobicContact CG-CZ 4.24Å
349	A	96.1	Very high	96.1	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-67.8	-42.2	176.2	0	0	0	0	0	111.8	F318 L345 L346 R351 L352 A353 L379 L382	F318-A349 HydrophobicContact CE1-CB 3.62Å; F318-A349 HydrophobicContact CZ-CB 3.59Å; L345-A349 WeakPolarHBondContact O-CB 3.41Å; L345-A349 PolarHBondContact O-N 2.85Å; L346-A349 PolarHBondContact O-N 3.08Å; A349-R351 VanDerWaalsContact C-N 3.32Å; A349-R351 PolarHBondContact O-N 3.03Å; A349-L352 PolarHBondContact O-N 2.91Å; A349-A353 WeakPolarHBondContact O-CB 3.05Å; A349-A353 PolarHBondContact O-N 3.17Å; A349-L379 HydrophobicContact CB-CD1 4.19Å; A349-L382 HydrophobicContact CB-CB 3.75Å
350	D	95.4	Very high	95.8	Very high	18 Å²	18	31.7 Å²	31.7	10%	0.096	16%	0.162	C	C	.	.	H	α-helix	trans	-59	-42.7	170.9	-79.3	-25.1	0	0	0	110.7	L346 A353 A354 R386 L502	L346-D350 WeakPolarHBondContact O-CB 3.4Å; L346-D350 PolarHBondContact O-N 2.81Å; D350-A353 PolarHBondContact O-N 3.37Å; D350-A354 WeakPolarHBondContact O-CB 3.24Å; D350-A354 PolarHBondContact O-N 2.88Å; D350-R386 IonicContact OD1-CZ 2.72Å; D350-R386 VanDerWaalsContact OD1-CZ 3.3Å; D350-R386 IonicContact OD1-NE 3.68Å; D350-R386 PolarHBondContact OD1-NE 3.39Å; D350-R386 IonicContact OD1-NH2 3.87Å; D350-R386 PolarHBondContact OD1-NH2 2.92Å; D350-R386 IonicContact OD2-NH2 2.81Å; D350-L502 HydrophobicContact CB-CD1 4.04Å; D350-L502 WeakPolarHBondContact O-CD1 3.33Å
351	R	95	Very high	95.6	Very high	89 Å²	89	30.6 Å²	30.6	34%	0.336	16%	0.159	S	C	.	.	H	α-helix	trans	-63.2	-45.6	176.9	-172.8	171.5	-174.8	-162.1	0.1	112.6	R347 M348 A349 G355 F493 N494	R347-R351 WeakPolarHBondContact O-CB 3.29Å; R347-R351 PolarHBondContact O-N 2.82Å; M348-R351 PolarHBondContact O-N 2.98Å; A349-R351 VanDerWaalsContact C-N 3.32Å; A349-R351 PolarHBondContact O-N 3.03Å; R351-G355 PolarHBondContact O-N 3.13Å; R351-F493 HydrophobicContact CB-CE2 4.06Å; R351-F493 HydrophobicContact CB-CZ 4.4Å; R351-F493 HydrophobicContact CG-CD2 4.34Å; R351-F493 HydrophobicContact CG-CE2 4.16Å; R351-F493 HydrophobicContact CG-CZ 4.3Å; R351-F493 WeakPolarHBondContact CG-O 3.23Å; R351-F493 PolarHBondContact NE-O 3.03Å; R351-N494 PolarHBondContact NH2-OD1 3.03Å
352	L	95.5	Very high	95.4	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.01	17%	0.172	C	C	.	.	H	α-helix	trans	-67.6	-37	177	-176.3	60.7	0	0	0	112.2	M348 A349 G355 L356 L379 A380 A383 F489 V492 F493	M348-L352 PolarHBondContact O-N 2.87Å; A349-L352 PolarHBondContact O-N 2.91Å; L352-G355 PolarHBondContact O-N 3Å; L352-L356 HydrophobicContact CD1-CD1 4.48Å; L352-L356 HydrophobicContact CD1-CG 4.42Å; L352-L356 HydrophobicContact CG-CD1 4.07Å; L352-L356 HydrophobicContact CG-CG 4.48Å; L352-L356 WeakPolarHBondContact O-CB 3.39Å; L352-L356 VanDerWaalsContact O-CG 3.26Å; L352-L356 WeakPolarHBondContact O-CG 3.41Å; L352-L356 PolarHBondContact O-N 3.26Å; L352-L379 HydrophobicContact CD2-CB 4.41Å; L352-L379 HydrophobicContact CD2-CD2 4.15Å; L352-L379 HydrophobicContact CD2-CG 3.85Å; L352-A380 HydrophobicContact CD2-CB 4.15Å; L352-A383 HydrophobicContact CB-CB 3.84Å; L352-A383 HydrophobicContact CD2-CB 3.85Å; L352-A383 HydrophobicContact CG-CB 3.77Å; L352-F489 HydrophobicContact CD1-CE2 4.24Å; L352-F489 HydrophobicContact CD1-CZ 4.21Å; L352-F489 HydrophobicContact CD2-CE1 4.34Å; L352-F489 HydrophobicContact CD2-CE2 3.79Å; L352-F489 HydrophobicContact CD2-CZ 3.46Å; L352-F489 VanDerWaalsContact CD2-CZ 3.46Å; L352-V492 HydrophobicContact CD1-CG1 4.06Å; L352-F493 HydrophobicContact CB-CD2 4.07Å; L352-F493 HydrophobicContact CD1-CB 4.5Å; L352-F493 HydrophobicContact CD1-CD2 4.47Å
353	A	95.8	Very high	95.2	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-63.2	-46.7	176.2	0	0	0	0	0	111.5	A349 D350 G355 L356 L357 A383 R386 A387 L502	A349-A353 WeakPolarHBondContact O-CB 3.05Å; A349-A353 PolarHBondContact O-N 3.17Å; D350-A353 PolarHBondContact O-N 3.37Å; A353-G355 VanDerWaalsContact C-N 3.33Å; A353-G355 PolarHBondContact O-N 3Å; A353-L356 PolarHBondContact O-N 2.85Å; A353-L357 WeakPolarHBondContact O-CG 3.34Å; A353-L357 PolarHBondContact O-N 3.29Å; A353-L357 VanDerWaalsContact O-N 3.1Å; A353-A383 HydrophobicContact CB-CB 4.09Å; A353-A383 WeakPolarHBondContact CB-O 3.44Å; A353-R386 HydrophobicContact CB-CB 3.96Å; A353-A387 HydrophobicContact CB-CB 4.15Å; A353-L502 HydrophobicContact CB-CD1 3.99Å; A353-L502 HydrophobicContact CB-CD2 3.75Å
354	A	95.2	Very high	94.9	Very high	5 Å²	5	38.8 Å²	38.8	4%	0.041	20%	0.204	C	C	.	.	H	α-helix	trans	-60.1	-45.1	175.2	0	0	0	0	0	110.8	D350 L356 L357 A358 S497 Q499 L502	D350-A354 WeakPolarHBondContact O-CB 3.24Å; D350-A354 PolarHBondContact O-N 2.88Å; A354-L356 PolarHBondContact O-N 2.89Å; A354-L357 WeakPolarHBondContact O-CB 3.21Å; A354-L357 PolarHBondContact O-N 3.21Å; A354-A358 WeakPolarHBondContact O-CB 3.5Å; A354-A358 PolarHBondContact O-N 3.18Å; A354-S497 VanDerWaalsContact CB-OG 3.28Å; A354-S497 WeakPolarHBondContact CB-OG 3.39Å; A354-S497 PolarHBondContact O-OG 2.78Å; A354-S497 VanDerWaalsContact O-OG 3.06Å; A354-Q499 HydrophobicContact CB-CG 4.26Å; A354-L502 HydrophobicContact CB-CD1 3.89Å; A354-L502 HydrophobicContact CB-CG 4.46Å
355	G	95	Very high	94.8	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-66.4	-34.8	179.1	0	0	0	0	0	115.2	R351 L352 A353 A358 I359 V492 S495	R351-G355 PolarHBondContact O-N 3.13Å; L352-G355 PolarHBondContact O-N 3Å; A353-G355 VanDerWaalsContact C-N 3.33Å; A353-G355 PolarHBondContact O-N 3Å; G355-A358 WeakPolarHBondContact O-CB 3.47Å; G355-A358 PolarHBondContact O-N 3.44Å; G355-I359 PolarHBondContact O-N 2.94Å; G355-V492 VanDerWaalsContact CA-O 3.27Å; G355-V492 WeakPolarHBondContact CA-O 3.49Å; G355-S495 WeakPolarHBondContact CA-OG 3.41Å; G355-S495 PolarHBondContact O-OG 3.16Å
356	L	94.9	Very high	94.7	Very high	3 Å²	3	38.9 Å²	38.9	2%	0.016	20%	0.203	C	C	.	.	H	α-helix	trans	-66.6	-36.5	171.8	-76.2	164.5	0	0	0	112.1	L352 A353 A354 I359 L361 A383 F389 I475 V492	L352-L356 HydrophobicContact CD1-CD1 4.48Å; L352-L356 HydrophobicContact CD1-CG 4.42Å; L352-L356 HydrophobicContact CG-CD1 4.07Å; L352-L356 HydrophobicContact CG-CG 4.48Å; L352-L356 WeakPolarHBondContact O-CB 3.39Å; L352-L356 VanDerWaalsContact O-CG 3.26Å; L352-L356 WeakPolarHBondContact O-CG 3.41Å; L352-L356 PolarHBondContact O-N 3.26Å; A353-L356 PolarHBondContact O-N 2.85Å; A354-L356 PolarHBondContact O-N 2.89Å; L356-I359 HydrophobicContact CD2-CD1 4.31Å; L356-I359 WeakPolarHBondContact O-CG1 3.37Å; L356-L361 HydrophobicContact CB-CD1 4.35Å; L356-L361 HydrophobicContact CD2-CD1 3.95Å; L356-L361 VanDerWaalsContact O-CB 3.32Å; L356-L361 WeakPolarHBondContact O-CB 3.47Å; L356-L361 PolarHBondContact O-N 2.91Å; L356-A383 HydrophobicContact CD1-CB 4.1Å; L356-F389 HydrophobicContact CB-CE2 3.51Å; L356-F389 HydrophobicContact CB-CZ 3.92Å; L356-F389 HydrophobicContact CD1-CD2 4.36Å; L356-F389 HydrophobicContact CD1-CE2 3.87Å; L356-F389 HydrophobicContact CG-CE2 4.25Å; L356-I475 HydrophobicContact CD2-CD1 3.53Å; L356-V492 HydrophobicContact CB-CG1 4.41Å; L356-V492 HydrophobicContact CD2-CG1 3.79Å; L356-V492 HydrophobicContact CG-CG1 3.79Å
357	L	94.4	Very high	94.7	Very high	35 Å²	35	38.8 Å²	38.8	18%	0.183	20%	0.203	C	C	.	.	H	α-helix	trans	-67	-41.5	170.9	-65.7	165.4	0	0	0	110.9	A353 A354 I359 G360 L361 A387 F389 L502 I505	A353-L357 WeakPolarHBondContact O-CG 3.34Å; A353-L357 PolarHBondContact O-N 3.29Å; A353-L357 VanDerWaalsContact O-N 3.1Å; A354-L357 WeakPolarHBondContact O-CB 3.21Å; A354-L357 PolarHBondContact O-N 3.21Å; L357-I359 VanDerWaalsContact C-N 3.26Å; L357-I359 PolarHBondContact O-N 3.33Å; L357-G360 PolarHBondContact O-N 3.27Å; L357-L361 WeakPolarHBondContact CA-O 3.46Å; L357-L361 WeakPolarHBondContact CD2-O 3.4Å; L357-A387 HydrophobicContact CD1-CB 4.3Å; L357-A387 HydrophobicContact CD2-CB 4.27Å; L357-A387 HydrophobicContact CG-CB 4.2Å; L357-F389 HydrophobicContact CD2-CE1 3.85Å; L357-F389 HydrophobicContact CD2-CZ 3.77Å; L357-F389 HydrophobicContact CG-CZ 4.07Å; L357-L502 HydrophobicContact CD1-CD2 3.59Å; L357-L502 HydrophobicContact CD1-CG 4.5Å; L357-I505 HydrophobicContact CD1-CD1 3.57Å; L357-I505 HydrophobicContact CD2-CD1 4.34Å
358	A	93.3	Very high	94.7	Very high	53 Å²	53	31.5 Å²	31.5	44%	0.438	18%	0.175	S	C	.	.	H	α-helix	trans	-62.2	-26.9	-177.9	0	0	0	0	0	114.4	A354 G355 G360	A354-A358 WeakPolarHBondContact O-CB 3.5Å; A354-A358 PolarHBondContact O-N 3.18Å; G355-A358 WeakPolarHBondContact O-CB 3.47Å; G355-A358 PolarHBondContact O-N 3.44Å; A358-G360 VanDerWaalsContact C-N 3.35Å
359	I	92.8	Very high	94.6	Very high	30 Å²	30	29 Å²	29	15%	0.154	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-5.4	175.5	62.1	175	0	0	0	114.1	G355 L356 L357 I475 F487 V492	G355-I359 PolarHBondContact O-N 2.94Å; L356-I359 HydrophobicContact CD2-CD1 4.31Å; L356-I359 WeakPolarHBondContact O-CG1 3.37Å; L357-I359 VanDerWaalsContact C-N 3.26Å; L357-I359 PolarHBondContact O-N 3.33Å; I359-I475 HydrophobicContact CD1-CD1 3.86Å; I359-I475 HydrophobicContact CD1-CG1 4.4Å; I359-F487 HydrophobicContact CB-CE1 3.94Å; I359-F487 HydrophobicContact CB-CE2 4.31Å; I359-F487 HydrophobicContact CB-CZ 3.74Å; I359-F487 HydrophobicContact CD1-CD2 4.2Å; I359-F487 HydrophobicContact CD1-CE2 4.1Å; I359-F487 HydrophobicContact CD1-CZ 4.37Å; I359-F487 HydrophobicContact CG2-CD1 3.99Å; I359-F487 HydrophobicContact CG2-CE1 3.57Å; I359-F487 HydrophobicContact CG2-CZ 3.93Å; I359-V492 HydrophobicContact CD1-CG1 4.14Å; I359-V492 HydrophobicContact CD1-CG2 3.9Å; I359-V492 HydrophobicContact CG2-CG2 4.4Å
360	G	92.3	Very high	94.3	Very high	37 Å²	37	29 Å²	29	38%	0.381	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	110	16.2	176.6	0	0	0	0	0	115.9	L357 A358 K430	L357-G360 PolarHBondContact O-N 3.27Å; A358-G360 VanDerWaalsContact C-N 3.35Å; G360-K430 PolarHBondContact O-NZ 3.18Å
361	L	94.2	Very high	94	Very high	5 Å²	5	28.2 Å²	28.2	3%	0.026	16%	0.158	C	C	.	.			trans	-84.6	152.9	164.3	-54.8	177.6	0	0	0	110.6	L356 L357 D365 V367 F389 K430 A431 H473	L356-L361 HydrophobicContact CB-CD1 4.35Å; L356-L361 HydrophobicContact CD2-CD1 3.95Å; L356-L361 VanDerWaalsContact O-CB 3.32Å; L356-L361 WeakPolarHBondContact O-CB 3.47Å; L356-L361 PolarHBondContact O-N 2.91Å; L357-L361 WeakPolarHBondContact CA-O 3.46Å; L357-L361 WeakPolarHBondContact CD2-O 3.4Å; L361-D365 WeakPolarHBondContact CA-OD2 3.4Å; L361-V367 HydrophobicContact CD1-CG2 4.42Å; L361-F389 HydrophobicContact CB-CE1 3.7Å; L361-F389 HydrophobicContact CB-CZ 3.67Å; L361-F389 HydrophobicContact CD1-CE2 4.45Å; L361-F389 HydrophobicContact CD1-CZ 4.37Å; L361-K430 HydrophobicContact CD2-CD 3.83Å; L361-K430 HydrophobicContact CD2-CG 4.07Å; L361-A431 HydrophobicContact CD1-CB 3.9Å; L361-A431 HydrophobicContact CD2-CB 4.09Å; L361-H473 HydrophobicContact CD2-CB 4.4Å
362	S	93.4	Very high	93.7	Very high	62 Å²	62	24.2 Å²	24.2	43%	0.434	14%	0.144	S	C	.	.			trans	-131.9	154.8	-176.1	-62.5	0	0	0	0	110.1	K364 D365 F389	S362-K364 PolarHBondContact O-N 2.97Å; S362-D365 PolarHBondContact N-OD2 3.45Å; S362-D365 WeakPolarHBondContact O-CB 3.49Å; S362-D365 PolarHBondContact O-N 2.73Å; S362-F389 VanDerWaalsContact O-CD1 3.31Å; S362-F389 WeakPolarHBondContact O-CD1 3.3Å; S362-F389 WeakPolarHBondContact O-CE1 3.34Å
363	P	93.9	Very high	93.5	Very high	58 Å²	58	24.4 Å²	24.4	38%	0.377	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	143	173.7	-26.4	35.1	0	0	0	111.9	D365 I505	P363-D365 PolarHBondContact O-N 2.95Å; P363-I505 HydrophobicContact CB-CG2 4.42Å; P363-I505 HydrophobicContact CG-CD1 4.35Å; P363-I505 HydrophobicContact CG-CG1 4.33Å; P363-I505 HydrophobicContact CG-CG2 3.68Å
364	K	93.5	Very high	93.3	Very high	120 Å²	120	27.8 Å²	27.8	52%	0.522	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.3	0.1	-173.1	-45.1	-171.6	-176.1	-164.1	0	115.9	S362 G388 D513	S362-K364 PolarHBondContact O-N 2.97Å; K364-G388 WeakPolarHBondContact CA-O 3.39Å; K364-G388 PolarHBondContact N-O 2.86Å; K364-D513 WeakPolarHBondContact CE-OD1 3.31Å; K364-D513 WeakPolarHBondContact CE-OD2 3.25Å; K364-D513 IonicContact NZ-OD1 2.63Å; K364-D513 PolarHBondContact NZ-OD1 3.02Å; K364-D513 IonicContact NZ-OD2 2.71Å; K364-D513 PolarHBondContact NZ-OD2 2.78Å
365	D	95	Very high	93.3	Very high	34 Å²	34	27.9 Å²	27.9	18%	0.182	16%	0.158	C	C	.	.			trans	-60.9	150.9	162.8	-79.7	-33.2	0	0	0	111.3	L361 S362 P363 F389 V390 K430	L361-D365 WeakPolarHBondContact CA-OD2 3.4Å; S362-D365 PolarHBondContact N-OD2 3.45Å; S362-D365 WeakPolarHBondContact O-CB 3.49Å; S362-D365 PolarHBondContact O-N 2.73Å; P363-D365 PolarHBondContact O-N 2.95Å; D365-F389 HydrophobicContact CB-CD1 4.34Å; D365-F389 CarbonylContact O-C 3.54Å; D365-F389 WeakPolarHBondContact O-CA 3.16Å; D365-V390 PolarHBondContact O-N 2.98Å; D365-K430 HydrophobicContact CB-CD 4.16Å; D365-K430 WeakPolarHBondContact OD1-CD 3.45Å; D365-K430 IonicContact OD1-NZ 3.67Å; D365-K430 WeakPolarHBondContact OD2-CD 3.38Å; D365-K430 WeakPolarHBondContact OD2-CE 3.44Å; D365-K430 IonicContact OD2-NZ 2.7Å; D365-K430 PolarHBondContact OD2-NZ 3.41Å
366	R	95.3	Very high	93.2	Very high	57 Å²	57	30.3 Å²	30.3	22%	0.215	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	125	-173.7	-59.3	175.9	-179.6	-171.8	0.8	110.6	V390 K426 I427 C429 K430 A431	R366-V390 WeakPolarHBondContact CA-O 3.42Å; R366-V390 HydrophobicContact CG-CB 4.02Å; R366-V390 HydrophobicContact CG-CG2 4.37Å; R366-K426 PolarHBondContact NH1-O 3.34Å; R366-I427 WeakPolarHBondContact CD-O 3.38Å; R366-I427 PolarHBondContact NH1-O 2.94Å; R366-C429 CarbonylContact O-C 3.58Å; R366-C429 WeakPolarHBondContact O-CA 3.5Å; R366-K430 PolarHBondContact O-N 2.87Å; R366-A431 PolarHBondContact O-N 3.42Å
367	V	96.6	Very high	93.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	119.7	-170.8	-177.1	0	0	0	0	109.9	L361 L369 F389 V390 F391 T392 A431 V433	L361-V367 HydrophobicContact CD1-CG2 4.42Å; V367-L369 HydrophobicContact CG1-CD2 3.79Å; V367-L369 HydrophobicContact CG1-CG 4.49Å; V367-F389 HydrophobicContact CG2-CB 3.77Å; V367-F389 HydrophobicContact CG2-CD2 4.11Å; V367-F389 HydrophobicContact CG2-CG 3.97Å; V367-V390 PolarHBondContact N-O 3.46Å; V367-F391 CarbonylContact O-C 3.59Å; V367-F391 WeakPolarHBondContact O-CA 3.38Å; V367-T392 PolarHBondContact O-N 3.25Å; V367-A431 HydrophobicContact CG1-CB 4.21Å; V367-A431 HydrophobicContact CG2-CB 4.21Å; V367-V433 HydrophobicContact CG1-CG2 4.06Å
368	C	95	Very high	93.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	123.2	171.3	-173.2	0	0	0	0	110.2	L407 C429 A431 I432 V433	C368-L407 HydrophobicContact CB-CD2 3.44Å; C368-L407 VanDerWaalsContact CB-CD2 3.44Å; C368-C429 HydrophobicContact CB-CB 4.49Å; C368-A431 PolarHBondContact N-O 2.89Å; C368-I432 HydrophobicContact CB-CB 4.28Å; C368-I432 HydrophobicContact CB-CG1 4.01Å; C368-I432 CarbonylContact O-C 3.6Å; C368-I432 WeakPolarHBondContact O-CA 3.41Å; C368-V433 PolarHBondContact O-N 3.11Å
369	L	94.5	Very high	93.6	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	105.9	173.1	-54.3	-179.4	0	0	0	107.9	V367 L377 A380 L381 F391 T392 L393 A394 V433 F435	V367-L369 HydrophobicContact CG1-CD2 3.79Å; V367-L369 HydrophobicContact CG1-CG 4.49Å; L369-L377 HydrophobicContact CB-CD1 3.64Å; L369-L377 HydrophobicContact CD1-CD1 4.49Å; L369-A380 HydrophobicContact CD1-CB 4.23Å; L369-A380 HydrophobicContact CD2-CB 3.81Å; L369-L381 HydrophobicContact CD1-CB 3.96Å; L369-F391 HydrophobicContact CD1-CB 4.27Å; L369-T392 PolarHBondContact N-O 3.13Å; L369-L393 HydrophobicContact CB-CD2 3.96Å; L369-L393 HydrophobicContact CD1-CD2 4.03Å; L369-L393 HydrophobicContact CG-CD2 4.43Å; L369-A394 PolarHBondContact O-N 2.97Å; L369-V433 HydrophobicContact CD2-CB 3.78Å; L369-V433 HydrophobicContact CD2-CG2 3.62Å; L369-F435 HydrophobicContact CB-CE2 4.42Å
370	W	90.5	Very high	93.8	Very high	1 Å²	1	25.1 Å²	25.1	0%	0.004	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	100	-170.7	179	38.8	0	0	0	109.8	A394 S395 P396 L403 I432 V433 C434 F435 I443 L446 L447	W370-A394 HydrophobicContact CB-CB 4.01Å; W370-A394 HydrophobicContact CG-CB 4.08Å; W370-S395 PolarHBondContact NE1-O 3.46Å; W370-P396 PolarHBondContact NE1-O 2.96Å; W370-L403 HydrophobicContact CD2-CD1 4.44Å; W370-L403 HydrophobicContact CD2-CD2 4.32Å; W370-L403 HydrophobicContact CE3-CD2 4.08Å; W370-L403 HydrophobicContact CH2-CD2 3.89Å; W370-L403 HydrophobicContact CZ2-CD2 4.11Å; W370-L403 HydrophobicContact CZ3-CD2 3.85Å; W370-I432 HydrophobicContact CB-CD1 4.13Å; W370-I432 HydrophobicContact CB-CG1 4.36Å; W370-I432 HydrophobicContact CD2-CD1 4.38Å; W370-I432 HydrophobicContact CE3-CD1 3.8Å; W370-V433 PolarHBondContact N-O 3.41Å; W370-C434 HydrophobicContact CE3-CB 4.17Å; W370-F435 WeakPolarHBondContact O-CD2 3.48Å; W370-F435 PolarHBondContact O-N 3.26Å; W370-I443 HydrophobicContact CE3-CD1 4.03Å; W370-I443 HydrophobicContact CE3-CG1 4.35Å; W370-I443 HydrophobicContact CH2-CD1 4Å; W370-I443 HydrophobicContact CH2-CG1 3.62Å; W370-I443 HydrophobicContact CZ3-CD1 3.71Å; W370-I443 HydrophobicContact CZ3-CG1 3.53Å; W370-L446 HydrophobicContact CH2-CB 4.43Å; W370-L446 HydrophobicContact CH2-CD2 3.57Å; W370-L446 HydrophobicContact CZ2-CD2 3.66Å; W370-L447 HydrophobicContact CZ3-CD2 4.07Å; W370-L447 HydrophobicContact CZ3-CG 4.21Å
371	G	88.7	Confident	94	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.119	C	C	.	.			trans	-176.8	179.5	-165.8	0	0	0	0	0	114.7	A394 P396 F563	G371-A394 PolarHBondContact N-O 3.11Å; G371-P396 WeakPolarHBondContact O-CD 3.45Å; G371-F563 WeakPolarHBondContact O-CD1 3.37Å
372	S	88	Confident	94.2	Very high	5 Å²	5	23.5 Å²	23.5	4%	0.035	12%	0.117	C	C	.	.			trans	-115	-164.1	-172.7	65.1	0	0	0	0	112.7	R374 L377 E587	S372-R374 PolarHBondContact O-N 3.42Å; S372-R374 WeakPolarHBondContact OG-CG 3.41Å; S372-L377 WeakPolarHBondContact O-CD2 3.49Å; S372-E587 WeakPolarHBondContact CB-OE1 3.38Å; S372-E587 VanDerWaalsContact OG-CD 3.3Å; S372-E587 PolarHBondContact OG-OE1 2.74Å
373	N	91.2	Very high	94.3	Very high	7 Å²	7	20.5 Å²	20.5	4%	0.037	10%	0.097	C	C	.	.	S	Bend	trans	-75.2	77.2	-178	-80.9	22.6	0	0	0	111.2	L560 P561 L562 I584	N373-L560 PolarHBondContact ND2-O 3.02Å; N373-P561 VanDerWaalsContact OD1-CA 3.27Å; N373-P561 WeakPolarHBondContact OD1-CA 3.09Å; N373-L562 PolarHBondContact OD1-N 2.99Å; N373-I584 HydrophobicContact CB-CG2 3.85Å
374	R	91.7	Very high	94.5	Very high	71 Å²	71	17.8 Å²	17.8	27%	0.268	8%	0.079	S	C	.	.			trans	-134	144.7	-166.8	-79	-61.9	-55.4	-160.3	9.2	111.6	E336 S372 E376 L377 L378	E336-R374 VanDerWaalsContact CD-NE 3.35Å; E336-R374 IonicContact OE1-CZ 3.64Å; E336-R374 IonicContact OE1-NE 2.75Å; E336-R374 PolarHBondContact OE1-NE 3.13Å; E336-R374 IonicContact OE1-NH1 3.02Å; E336-R374 IonicContact OE1-NH2 3.4Å; E336-R374 PolarHBondContact OE1-NH2 2.94Å; E336-R374 VanDerWaalsContact OE2-CA 3.31Å; E336-R374 WeakPolarHBondContact OE2-CA 3.46Å; E336-R374 IonicContact OE2-NE 3.72Å; S372-R374 PolarHBondContact O-N 3.42Å; S372-R374 WeakPolarHBondContact OG-CG 3.41Å; R374-E376 WeakPolarHBondContact CB-OE2 3.48Å; R374-E376 IonicContact CZ-OE1 3.34Å; R374-E376 IonicContact CZ-OE2 2.78Å; R374-E376 IonicContact NE-OE1 2.68Å; R374-E376 IonicContact NE-OE2 2.76Å; R374-E376 PolarHBondContact NE-OE2 2.79Å; R374-E376 IonicContact NH2-OE1 3.17Å; R374-E376 PolarHBondContact NH2-OE1 3.28Å; R374-E376 IonicContact NH2-OE2 3.48Å; R374-E376 PolarHBondContact NH2-OE2 3.18Å; R374-E376 PolarHBondContact O-N 3.01Å; R374-L377 PolarHBondContact O-N 3.08Å; R374-L378 PolarHBondContact O-N 3.06Å
375	S	95	Very high	94.6	Very high	6 Å²	6	12 Å²	12	4%	0.042	5%	0.054	C	C	.	.	H	α-helix	trans	-60.5	-33.9	-176.8	65.1	0	0	0	0	113	E336 L378 L379	E336-S375 VanDerWaalsContact OE1-CB 3.29Å; E336-S375 WeakPolarHBondContact OE1-CB 3.44Å; E336-S375 PolarHBondContact OE1-N 3.41Å; E336-S375 PolarHBondContact OE1-OG 3.21Å; E336-S375 PolarHBondContact OE2-N 3.32Å; S375-L378 PolarHBondContact O-N 2.88Å; S375-L379 PolarHBondContact O-N 3.12Å
376	E	94.2	Very high	94.6	Very high	51 Å²	51	10.6 Å²	10.6	24%	0.238	5%	0.046	C	C	.	.	H	α-helix	trans	-71.7	-33.1	-179.9	-47.2	91.3	149.8	0	0	112.1	R374 L379 A380 F435 F489	R374-E376 WeakPolarHBondContact CB-OE2 3.48Å; R374-E376 IonicContact CZ-OE1 3.34Å; R374-E376 IonicContact CZ-OE2 2.78Å; R374-E376 IonicContact NE-OE1 2.68Å; R374-E376 IonicContact NE-OE2 2.76Å; R374-E376 PolarHBondContact NE-OE2 2.79Å; R374-E376 IonicContact NH2-OE1 3.17Å; R374-E376 PolarHBondContact NH2-OE1 3.28Å; R374-E376 IonicContact NH2-OE2 3.48Å; R374-E376 PolarHBondContact NH2-OE2 3.18Å; R374-E376 PolarHBondContact O-N 3.01Å; E376-L379 PolarHBondContact O-N 3.3Å; E376-A380 PolarHBondContact O-N 3.2Å; E376-F435 VanDerWaalsContact C-CE1 3.45Å; E376-F435 HydrophobicContact CB-CD1 3.71Å; E376-F435 HydrophobicContact CB-CE1 3.53Å; E376-F435 WeakPolarHBondContact O-CE1 3.48Å; E376-F489 HydrophobicContact CB-CE1 4.29Å; E376-F489 HydrophobicContact CB-CZ 4.14Å
377	L	95.2	Very high	94.6	Very high	4 Å²	4	7.9 Å²	7.9	2%	0.021	4%	0.036	C	C	.	.	H	α-helix	trans	-67.2	-43.8	174.6	177.6	66.3	0	0	0	111.2	L369 S372 R374 L379 A380 L381 F435 L562	L369-L377 HydrophobicContact CB-CD1 3.64Å; L369-L377 HydrophobicContact CD1-CD1 4.49Å; S372-L377 WeakPolarHBondContact O-CD2 3.49Å; R374-L377 PolarHBondContact O-N 3.08Å; L377-L379 VanDerWaalsContact C-N 3.3Å; L377-L379 PolarHBondContact O-N 3.03Å; L377-A380 PolarHBondContact O-N 3.39Å; L377-L381 WeakPolarHBondContact O-CB 3.4Å; L377-L381 PolarHBondContact O-N 3.07Å; L377-F435 HydrophobicContact CB-CD2 4.31Å; L377-F435 HydrophobicContact CB-CE2 4.27Å; L377-F435 HydrophobicContact CD1-CD2 3.91Å; L377-F435 HydrophobicContact CD1-CE2 3.61Å; L377-F435 HydrophobicContact CD1-CZ 4.42Å; L377-L562 HydrophobicContact CD2-CB 4.3Å
378	L	96.9	Very high	94.6	Very high	3 Å²	3	8.2 Å²	8.2	2%	0.016	4%	0.04	C	C	.	.	H	α-helix	trans	-58.9	-46	174.1	172.8	68.3	0	0	0	110.5	F331 F333 L345 R374 S375 A380 L381 L382 V572	F331-L378 HydrophobicContact CB-CD2 4.02Å; F331-L378 HydrophobicContact CD1-CD2 3.44Å; F331-L378 VanDerWaalsContact CD1-CD2 3.44Å; F331-L378 HydrophobicContact CD2-CD2 3.69Å; F331-L378 HydrophobicContact CE1-CD1 4.13Å; F331-L378 HydrophobicContact CE1-CD2 3.7Å; F331-L378 HydrophobicContact CE2-CD1 4.1Å; F331-L378 HydrophobicContact CE2-CD2 3.93Å; F331-L378 HydrophobicContact CG-CD2 3.43Å; F331-L378 VanDerWaalsContact CG-CD2 3.43Å; F331-L378 HydrophobicContact CZ-CD1 3.81Å; F331-L378 HydrophobicContact CZ-CD2 3.94Å; F333-L378 HydrophobicContact CE2-CD2 3.64Å; F333-L378 HydrophobicContact CZ-CB 3.93Å; F333-L378 HydrophobicContact CZ-CD2 3.72Å; F333-L378 HydrophobicContact CZ-CG 4.47Å; L345-L378 HydrophobicContact CD1-CD2 4.5Å; L345-L378 HydrophobicContact CD2-CD2 3.82Å; L345-L378 HydrophobicContact CD2-CG 4.49Å; R374-L378 PolarHBondContact O-N 3.06Å; S375-L378 PolarHBondContact O-N 2.88Å; L378-A380 PolarHBondContact O-N 2.79Å; L378-L381 PolarHBondContact O-N 3.16Å; L378-L382 HydrophobicContact CD1-CD1 3.9Å; L378-L382 HydrophobicContact CD1-CG 4.21Å; L378-L382 HydrophobicContact CG-CD1 3.94Å; L378-L382 WeakPolarHBondContact O-CG 3.22Å; L378-L382 PolarHBondContact O-N 3.3Å; L378-V572 HydrophobicContact CD1-CB 4.42Å; L378-V572 HydrophobicContact CD1-CG1 3.76Å; L378-V572 HydrophobicContact CD1-CG2 3.79Å
379	L	96.9	Very high	94.6	Very high	5 Å²	5	8.3 Å²	8.3	3%	0.026	4%	0.04	C	C	.	.	H	α-helix	trans	-60.8	-44.9	-179	-169.7	65.9	0	0	0	111.9	L345 M348 A349 L352 S375 E376 L377 L382 A383 F489 F493	L345-L379 HydrophobicContact CD1-CD1 3.86Å; M348-L379 HydrophobicContact CB-CD1 3.56Å; M348-L379 HydrophobicContact CB-CD2 4.4Å; M348-L379 HydrophobicContact CE-CD2 4.17Å; A349-L379 HydrophobicContact CB-CD1 4.19Å; L352-L379 HydrophobicContact CD2-CB 4.41Å; L352-L379 HydrophobicContact CD2-CD2 4.15Å; L352-L379 HydrophobicContact CD2-CG 3.85Å; S375-L379 PolarHBondContact O-N 3.12Å; E376-L379 PolarHBondContact O-N 3.3Å; L377-L379 VanDerWaalsContact C-N 3.3Å; L377-L379 PolarHBondContact O-N 3.03Å; L379-L382 PolarHBondContact O-N 2.87Å; L379-A383 WeakPolarHBondContact O-CB 3.5Å; L379-A383 PolarHBondContact O-N 3.23Å; L379-F489 HydrophobicContact CD2-CE1 4.15Å; L379-F489 HydrophobicContact CD2-CZ 4.16Å; L379-F493 HydrophobicContact CD2-CE2 4.22Å
380	A	97.5	Very high	94.7	Very high	1 Å²	1	8.6 Å²	8.6	1%	0.008	4%	0.041	C	C	.	.	H	α-helix	trans	-67.7	-35.2	177.9	0	0	0	0	0	113.4	L352 L369 E376 L377 L378 A383 C384 F435 F489	L352-A380 HydrophobicContact CD2-CB 4.15Å; L369-A380 HydrophobicContact CD1-CB 4.23Å; L369-A380 HydrophobicContact CD2-CB 3.81Å; E376-A380 PolarHBondContact O-N 3.2Å; L377-A380 PolarHBondContact O-N 3.39Å; L378-A380 PolarHBondContact O-N 2.79Å; A380-A383 PolarHBondContact O-N 2.91Å; A380-C384 PolarHBondContact O-N 3.18Å; A380-C384 PolarHBondContact O-SG 2.72Å; A380-F435 HydrophobicContact CB-CE2 4.45Å; A380-F435 HydrophobicContact CB-CZ 3.68Å; A380-F489 HydrophobicContact CB-CE2 4.25Å
381	L	97.3	Very high	95	Very high	7 Å²	7	8.6 Å²	8.6	4%	0.037	4%	0.042	C	C	.	.	H	α-helix	trans	-63.1	-47.8	173.9	-175.9	160.3	0	0	0	111.1	L369 L377 L378 A383 C384 A385 F391 L393 M568 V572	L369-L381 HydrophobicContact CD1-CB 3.96Å; L377-L381 WeakPolarHBondContact O-CB 3.4Å; L377-L381 PolarHBondContact O-N 3.07Å; L378-L381 PolarHBondContact O-N 3.16Å; L381-A383 VanDerWaalsContact C-N 3.33Å; L381-A383 PolarHBondContact O-N 3.44Å; L381-C384 WeakPolarHBondContact O-CB 3.15Å; L381-C384 PolarHBondContact O-N 2.85Å; L381-A385 PolarHBondContact O-N 2.84Å; L381-F391 HydrophobicContact CD1-CD2 4.46Å; L381-F391 HydrophobicContact CD1-CE2 4.04Å; L381-F391 HydrophobicContact CD1-CZ 4.48Å; L381-F391 HydrophobicContact CD2-CZ 4.38Å; L381-F391 HydrophobicContact CG-CD2 4.33Å; L381-F391 HydrophobicContact CG-CE2 4.13Å; L381-F391 HydrophobicContact CG-CZ 4.28Å; L381-L393 HydrophobicContact CD1-CD1 4.21Å; L381-L393 HydrophobicContact CD1-CD2 4.21Å; L381-M568 HydrophobicContact CD1-CG 3.46Å; L381-M568 VanDerWaalsContact CD1-CG 3.46Å; L381-M568 HydrophobicContact CD1-SD 4.3Å; L381-V572 HydrophobicContact CD2-CG1 4.19Å
382	L	97.7	Very high	95.3	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-64.8	-38.1	178	-67.1	173	0	0	0	111.6	F318 L345 A349 L378 L379 A385 R386 V572 I576	F318-L382 HydrophobicContact CD1-CD2 4.32Å; F318-L382 HydrophobicContact CD2-CD2 4Å; F318-L382 HydrophobicContact CE1-CB 3.8Å; F318-L382 HydrophobicContact CE1-CD2 4.24Å; F318-L382 HydrophobicContact CE1-CG 4.44Å; F318-L382 HydrophobicContact CE2-CB 4.46Å; F318-L382 HydrophobicContact CE2-CD1 3.87Å; F318-L382 HydrophobicContact CE2-CD2 3.87Å; F318-L382 HydrophobicContact CE2-CG 4.29Å; F318-L382 HydrophobicContact CG-CD2 4.24Å; F318-L382 HydrophobicContact CZ-CB 3.77Å; F318-L382 HydrophobicContact CZ-CD1 3.82Å; F318-L382 HydrophobicContact CZ-CD2 4.02Å; F318-L382 HydrophobicContact CZ-CG 4.08Å; L345-L382 HydrophobicContact CD1-CD1 3.85Å; L345-L382 HydrophobicContact CD2-CD1 3.8Å; L345-L382 HydrophobicContact CG-CD1 3.66Å; A349-L382 HydrophobicContact CB-CB 3.75Å; L378-L382 HydrophobicContact CD1-CD1 3.9Å; L378-L382 HydrophobicContact CD1-CG 4.21Å; L378-L382 HydrophobicContact CG-CD1 3.94Å; L378-L382 WeakPolarHBondContact O-CG 3.22Å; L378-L382 PolarHBondContact O-N 3.3Å; L379-L382 PolarHBondContact O-N 2.87Å; L382-A385 PolarHBondContact O-N 3.34Å; L382-R386 WeakPolarHBondContact O-CG 3.41Å; L382-R386 PolarHBondContact O-N 3.47Å; L382-V572 HydrophobicContact CD2-CG1 3.96Å; L382-I576 HydrophobicContact CD2-CD1 3.86Å
383	A	96.6	Very high	95.5	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-62.9	-41.9	173.1	0	0	0	0	0	112.6	L352 A353 L356 L379 A380 L381 A385 R386 A387	L352-A383 HydrophobicContact CB-CB 3.84Å; L352-A383 HydrophobicContact CD2-CB 3.85Å; L352-A383 HydrophobicContact CG-CB 3.77Å; A353-A383 HydrophobicContact CB-CB 4.09Å; A353-A383 WeakPolarHBondContact CB-O 3.44Å; L356-A383 HydrophobicContact CD1-CB 4.1Å; L379-A383 WeakPolarHBondContact O-CB 3.5Å; L379-A383 PolarHBondContact O-N 3.23Å; A380-A383 PolarHBondContact O-N 2.91Å; L381-A383 VanDerWaalsContact C-N 3.33Å; L381-A383 PolarHBondContact O-N 3.44Å; A383-A385 VanDerWaalsContact C-N 3.34Å; A383-A385 PolarHBondContact O-N 2.88Å; A383-R386 PolarHBondContact O-N 3.2Å; A383-A387 PolarHBondContact O-N 3.38Å
384	C	97.2	Very high	95.3	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-60.6	-43.5	173.3	-68.6	0	0	0	0	111.8	A380 L381 R386 A387 G388 F389 F391	A380-C384 PolarHBondContact O-N 3.18Å; A380-C384 PolarHBondContact O-SG 2.72Å; L381-C384 WeakPolarHBondContact O-CB 3.15Å; L381-C384 PolarHBondContact O-N 2.85Å; C384-R386 VanDerWaalsContact C-N 3.26Å; C384-R386 PolarHBondContact O-N 3.4Å; C384-A387 PolarHBondContact O-N 2.88Å; C384-G388 PolarHBondContact O-N 3.33Å; C384-F389 HydrophobicContact CB-CB 3.99Å; C384-F389 HydrophobicContact CB-CD2 4.33Å; C384-F389 PolarHBondContact O-N 3.11Å; C384-F391 HydrophobicContact CB-CB 3.99Å; C384-F391 HydrophobicContact CB-CD1 4.36Å
385	A	96.2	Very high	95	Very high	0 Å²	0	6 Å²	6	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-63.4	-29.8	177.3	0	0	0	0	0	113.4	I314 G315 L381 L382 A383	I314-A385 HydrophobicContact CB-CB 4.14Å; I314-A385 HydrophobicContact CG2-CB 3.78Å; G315-A385 VanDerWaalsContact CA-O 3.27Å; G315-A385 WeakPolarHBondContact CA-O 3.49Å; G315-A385 PolarHBondContact N-O 3.2Å; L381-A385 PolarHBondContact O-N 2.84Å; L382-A385 PolarHBondContact O-N 3.34Å; A383-A385 VanDerWaalsContact C-N 3.34Å; A383-A385 PolarHBondContact O-N 2.88Å
386	R	94.9	Very high	94.3	Very high	3 Å²	3	6 Å²	6	1%	0.011	3%	0.034	C	C	.	.	H	α-helix	trans	-81.2	-38.3	177.5	-72.1	-67.1	-65.7	159.6	-13.5	114.4	G315 F318 E319 D350 A353 L382 A383 C384 G388 D506	G315-R386 WeakPolarHBondContact O-CD 3.36Å; G315-R386 PolarHBondContact O-NH1 2.81Å; F318-R386 HydrophobicContact CD1-CG 3.6Å; F318-R386 HydrophobicContact CE1-CG 3.61Å; E319-R386 IonicContact OE2-CZ 2.67Å; E319-R386 IonicContact OE2-NH1 3.1Å; E319-R386 PolarHBondContact OE2-NH1 3.41Å; E319-R386 IonicContact OE2-NH2 3.7Å; E319-R386 PolarHBondContact OE2-NH2 2.9Å; D350-R386 IonicContact OD1-CZ 2.72Å; D350-R386 VanDerWaalsContact OD1-CZ 3.3Å; D350-R386 IonicContact OD1-NE 3.68Å; D350-R386 PolarHBondContact OD1-NE 3.39Å; D350-R386 IonicContact OD1-NH2 3.87Å; D350-R386 PolarHBondContact OD1-NH2 2.92Å; D350-R386 IonicContact OD2-NH2 2.81Å; A353-R386 HydrophobicContact CB-CB 3.96Å; L382-R386 WeakPolarHBondContact O-CG 3.41Å; L382-R386 PolarHBondContact O-N 3.47Å; A383-R386 PolarHBondContact O-N 3.2Å; C384-R386 VanDerWaalsContact C-N 3.26Å; C384-R386 PolarHBondContact O-N 3.4Å; R386-G388 VanDerWaalsContact C-N 3.3Å; R386-D506 IonicContact NH1-OD1 3.94Å; R386-D506 PolarHBondContact NH1-OD1 3.42Å; R386-D506 IonicContact NH1-OD2 3.18Å; R386-D506 PolarHBondContact NH1-OD2 3.33Å
387	A	95	Very high	93.5	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-83.9	-3.2	176.4	0	0	0	0	0	113.6	A353 L357 A383 C384 F389	A353-A387 HydrophobicContact CB-CB 4.15Å; L357-A387 HydrophobicContact CD1-CB 4.3Å; L357-A387 HydrophobicContact CD2-CB 4.27Å; L357-A387 HydrophobicContact CG-CB 4.2Å; A383-A387 PolarHBondContact O-N 3.38Å; C384-A387 PolarHBondContact O-N 2.88Å; A387-F389 VanDerWaalsContact C-N 3.33Å; A387-F389 HydrophobicContact CB-CD1 4.16Å; A387-F389 HydrophobicContact CB-CD2 3.74Å; A387-F389 HydrophobicContact CB-CE1 3.83Å; A387-F389 HydrophobicContact CB-CE2 3.35Å; A387-F389 HydrophobicContact CB-CG 4.11Å; A387-F389 HydrophobicContact CB-CZ 3.41Å; A387-F389 VanDerWaalsContact CB-CZ 3.41Å
388	G	95.3	Very high	92.5	Very high	8 Å²	8	7.8 Å²	7.8	8%	0.082	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.7	26.6	-176	0	0	0	0	0	113.9	K364 C384 R386	K364-G388 WeakPolarHBondContact CA-O 3.39Å; K364-G388 PolarHBondContact N-O 2.86Å; C384-G388 PolarHBondContact O-N 3.33Å; R386-G388 VanDerWaalsContact C-N 3.3Å
389	F	96.9	Very high	91	Very high	2 Å²	2	11.1 Å²	11.1	1%	0.009	7%	0.07	C	C	.	.			trans	-78.3	139.9	173.1	-54.1	-39.5	0	0	0	110.8	L356 L357 L361 S362 D365 V367 C384 A387 F391	L356-F389 HydrophobicContact CB-CE2 3.51Å; L356-F389 HydrophobicContact CB-CZ 3.92Å; L356-F389 HydrophobicContact CD1-CD2 4.36Å; L356-F389 HydrophobicContact CD1-CE2 3.87Å; L356-F389 HydrophobicContact CG-CE2 4.25Å; L357-F389 HydrophobicContact CD2-CE1 3.85Å; L357-F389 HydrophobicContact CD2-CZ 3.77Å; L357-F389 HydrophobicContact CG-CZ 4.07Å; L361-F389 HydrophobicContact CB-CE1 3.7Å; L361-F389 HydrophobicContact CB-CZ 3.67Å; L361-F389 HydrophobicContact CD1-CE2 4.45Å; L361-F389 HydrophobicContact CD1-CZ 4.37Å; S362-F389 VanDerWaalsContact O-CD1 3.31Å; S362-F389 WeakPolarHBondContact O-CD1 3.3Å; S362-F389 WeakPolarHBondContact O-CE1 3.34Å; D365-F389 HydrophobicContact CB-CD1 4.34Å; D365-F389 CarbonylContact O-C 3.54Å; D365-F389 WeakPolarHBondContact O-CA 3.16Å; V367-F389 HydrophobicContact CG2-CB 3.77Å; V367-F389 HydrophobicContact CG2-CD2 4.11Å; V367-F389 HydrophobicContact CG2-CG 3.97Å; C384-F389 HydrophobicContact CB-CB 3.99Å; C384-F389 HydrophobicContact CB-CD2 4.33Å; C384-F389 PolarHBondContact O-N 3.11Å; A387-F389 VanDerWaalsContact C-N 3.33Å; A387-F389 HydrophobicContact CB-CD1 4.16Å; A387-F389 HydrophobicContact CB-CD2 3.74Å; A387-F389 HydrophobicContact CB-CE1 3.83Å; A387-F389 HydrophobicContact CB-CE2 3.35Å; A387-F389 HydrophobicContact CB-CG 4.11Å; A387-F389 HydrophobicContact CB-CZ 3.41Å; A387-F389 VanDerWaalsContact CB-CZ 3.41Å; F389-F391 PolarHBondContact O-N 3.43Å
390	V	96.6	Very high	89.5	Confident	6 Å²	6	12.9 Å²	12.9	4%	0.036	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	104.3	175	-173.3	0	0	0	0	108.9	D365 R366 V367 L514 A515 I517	D365-V390 PolarHBondContact O-N 2.98Å; R366-V390 WeakPolarHBondContact CA-O 3.42Å; R366-V390 HydrophobicContact CG-CB 4.02Å; R366-V390 HydrophobicContact CG-CG2 4.37Å; V367-V390 PolarHBondContact N-O 3.46Å; V390-L514 HydrophobicContact CG1-CD2 3.74Å; V390-L514 HydrophobicContact CG1-CG 3.81Å; V390-L514 HydrophobicContact CG2-CD2 4.32Å; V390-L514 HydrophobicContact CG2-CG 4.44Å; V390-L514 WeakPolarHBondContact CG2-O 3.41Å; V390-A515 WeakPolarHBondContact CA-O 3.4Å; V390-I517 HydrophobicContact CG1-CD1 4.33Å; V390-I517 HydrophobicContact CG1-CG1 3.96Å
391	F	96.3	Very high	87.9	Confident	1 Å²	1	15.6 Å²	15.6	0%	0.004	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	141	-176.1	66.3	-91.6	0	0	0	112.9	V367 L369 L381 C384 F389 L393 A515 A516 I517 L518 L537 M568	V367-F391 CarbonylContact O-C 3.59Å; V367-F391 WeakPolarHBondContact O-CA 3.38Å; L369-F391 HydrophobicContact CD1-CB 4.27Å; L381-F391 HydrophobicContact CD1-CD2 4.46Å; L381-F391 HydrophobicContact CD1-CE2 4.04Å; L381-F391 HydrophobicContact CD1-CZ 4.48Å; L381-F391 HydrophobicContact CD2-CZ 4.38Å; L381-F391 HydrophobicContact CG-CD2 4.33Å; L381-F391 HydrophobicContact CG-CE2 4.13Å; L381-F391 HydrophobicContact CG-CZ 4.28Å; C384-F391 HydrophobicContact CB-CB 3.99Å; C384-F391 HydrophobicContact CB-CD1 4.36Å; F389-F391 PolarHBondContact O-N 3.43Å; F391-L393 HydrophobicContact CD2-CD2 3.84Å; F391-L393 HydrophobicContact CD2-CG 4.03Å; F391-L393 HydrophobicContact CE2-CD1 4.33Å; F391-L393 HydrophobicContact CE2-CD2 4.38Å; F391-L393 HydrophobicContact CE2-CG 4.3Å; F391-A515 WeakPolarHBondContact CD1-O 3.48Å; F391-A515 PolarHBondContact N-O 2.63Å; F391-A515 VanDerWaalsContact N-O 3.14Å; F391-A516 HydrophobicContact CD1-CB 4.31Å; F391-A516 HydrophobicContact CD2-CB 4.03Å; F391-A516 HydrophobicContact CE1-CB 4.07Å; F391-A516 HydrophobicContact CE2-CB 3.78Å; F391-A516 HydrophobicContact CG-CB 4.3Å; F391-A516 HydrophobicContact CZ-CB 3.8Å; F391-A516 CarbonylContact O-C 3.4Å; F391-A516 WeakPolarHBondContact O-CA 3.45Å; F391-A516 WeakPolarHBondContact O-CB 3.18Å; F391-I517 PolarHBondContact O-N 2.73Å; F391-L518 HydrophobicContact CD2-CD2 4.49Å; F391-L518 HydrophobicContact CE2-CD2 4.21Å; F391-L537 HydrophobicContact CZ-CD1 4.43Å; F391-M568 HydrophobicContact CE2-CE 3.96Å; F391-M568 HydrophobicContact CE2-SD 4.44Å; F391-M568 HydrophobicContact CZ-CE 4.08Å; F391-M568 HydrophobicContact CZ-SD 4.34Å
392	T	94	Very high	86.7	Confident	0 Å²	0	18.1 Å²	18.1	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	132.8	171.7	-61	0	0	0	0	108.1	V367 L369 L406 I517	V367-T392 PolarHBondContact O-N 3.25Å; L369-T392 PolarHBondContact N-O 3.13Å; T392-L406 HydrophobicContact CG2-CD1 3.88Å; T392-L406 HydrophobicContact CG2-CG 4.48Å; T392-I517 WeakPolarHBondContact CA-O 3.26Å; T392-I517 WeakPolarHBondContact CG2-O 3.5Å
393	L	92.1	Very high	85.5	Confident	4 Å²	4	18.2 Å²	18.2	2%	0.021	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	127.2	-179.5	-54.5	-177.4	0	0	0	111	L369 L381 F391 L518 F563 M568	L369-L393 HydrophobicContact CB-CD2 3.96Å; L369-L393 HydrophobicContact CD1-CD2 4.03Å; L369-L393 HydrophobicContact CG-CD2 4.43Å; L381-L393 HydrophobicContact CD1-CD1 4.21Å; L381-L393 HydrophobicContact CD1-CD2 4.21Å; F391-L393 HydrophobicContact CD2-CD2 3.84Å; F391-L393 HydrophobicContact CD2-CG 4.03Å; F391-L393 HydrophobicContact CE2-CD1 4.33Å; F391-L393 HydrophobicContact CE2-CD2 4.38Å; F391-L393 HydrophobicContact CE2-CG 4.3Å; L393-L518 HydrophobicContact CB-CD2 4.47Å; L393-L518 HydrophobicContact CD1-CD2 4.21Å; L393-L518 HydrophobicContact CG-CD2 4.02Å; L393-F563 HydrophobicContact CB-CB 4.15Å; L393-M568 HydrophobicContact CD1-CB 3.99Å; L393-M568 HydrophobicContact CD1-CG 3.97Å
394	A	87.6	Confident	84.5	Confident	0 Å²	0	19.7 Å²	19.7	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	136.9	-177.5	0	0	0	0	0	112.1	L369 W370 G371 L398 L406	L369-A394 PolarHBondContact O-N 2.97Å; W370-A394 HydrophobicContact CB-CB 4.01Å; W370-A394 HydrophobicContact CG-CB 4.08Å; G371-A394 PolarHBondContact N-O 3.11Å; A394-L398 HydrophobicContact CB-CD2 4.44Å; A394-L406 HydrophobicContact CB-CD2 3.62Å
395	S	84.7	Confident	83.2	Confident	25 Å²	25	22.5 Å²	22.5	18%	0.175	14%	0.142	C	C	.	.			trans	-61.8	136.8	171.7	-175.6	0	0	0	0	110.1	W370 T397 L398 F563	W370-S395 PolarHBondContact NE1-O 3.46Å; S395-T397 PolarHBondContact O-N 3Å; S395-T397 PolarHBondContact OG-OG1 2.62Å; S395-L398 VanDerWaalsContact O-CB 3.24Å; S395-L398 WeakPolarHBondContact O-CB 3.47Å; S395-L398 PolarHBondContact O-N 3.24Å; S395-L398 VanDerWaalsContact O-N 3.11Å; S395-F563 VanDerWaalsContact CB-CE2 3.46Å; S395-F563 WeakPolarHBondContact OG-CE2 3.47Å; S395-F563 VanDerWaalsContact OG-CZ 3.28Å; S395-F563 WeakPolarHBondContact OG-CZ 3.37Å
396	P	80.8	Confident	82.3	Confident	6 Å²	6	22.7 Å²	22.7	4%	0.039	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-39.6	176.9	27.6	-35	0	0	0	110.2	W370 G371 L398 V440 F563	W370-P396 PolarHBondContact NE1-O 2.96Å; G371-P396 WeakPolarHBondContact O-CD 3.45Å; P396-L398 PolarHBondContact O-N 3.37Å; P396-V440 HydrophobicContact CB-CG2 3.88Å; P396-V440 VanDerWaalsContact O-CG2 3.28Å; P396-V440 WeakPolarHBondContact O-CG2 3.46Å; P396-F563 VanDerWaalsContact CD-CE1 3.41Å; P396-F563 HydrophobicContact CG-CE1 4.37Å
397	T	77.1	Confident	81.5	Confident	80 Å²	80	22.6 Å²	22.6	49%	0.491	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	26.5	178.1	71	0	0	0	0	114.2	S395 K439	S395-T397 PolarHBondContact O-N 3Å; S395-T397 PolarHBondContact OG-OG1 2.62Å; T397-K439 HydrophobicContact CG2-CB 3.78Å; T397-K439 HydrophobicContact CG2-CD 4.13Å
398	L	74.1	Confident	80.5	Confident	13 Å²	13	23.2 Å²	23.2	7%	0.068	15%	0.146	C	C	.	.			trans	-72.5	130.2	174	-172.3	68.2	0	0	0	109.2	A394 S395 P396 N402 L403 L406	A394-L398 HydrophobicContact CB-CD2 4.44Å; S395-L398 VanDerWaalsContact O-CB 3.24Å; S395-L398 WeakPolarHBondContact O-CB 3.47Å; S395-L398 PolarHBondContact O-N 3.24Å; S395-L398 VanDerWaalsContact O-N 3.11Å; P396-L398 PolarHBondContact O-N 3.37Å; L398-N402 HydrophobicContact CD1-CB 3.76Å; L398-N402 HydrophobicContact CG-CB 3.95Å; L398-L403 HydrophobicContact CD2-CB 4.21Å; L398-L403 HydrophobicContact CD2-CD1 4.14Å; L398-L406 HydrophobicContact CD2-CB 4.36Å; L398-L406 HydrophobicContact CD2-CD2 3.68Å
399	P	67.3	Low	78.6	Confident	72 Å²	72	23 Å²	23	47%	0.468	14%	0.143	S	C	.	.			trans	-64.8	150.4	178	-21	32.4	0	0	0	112.8	A401 N402 L403	P399-A401 PolarHBondContact O-N 3.42Å; P399-N402 HydrophobicContact CB-CB 4.48Å; P399-N402 WeakPolarHBondContact CB-OD1 2.81Å; P399-N402 CarbonylContact O-C 3.23Å; P399-N402 WeakPolarHBondContact O-CA 3.27Å; P399-N402 WeakPolarHBondContact O-CB 3.23Å; P399-N402 PolarHBondContact O-N 2.83Å; P399-L403 PolarHBondContact O-N 2.84Å
400	V	64.6	Low	75.7	Confident	43 Å²	43	26 Å²	26	26%	0.261	16%	0.161	S	C	.	.	H	α-helix	trans	-45.7	-54.4	-178.1	-178.9	0	0	0	0	113.6	N402 L403 V404 L446	V400-N402 VanDerWaalsContact C-N 3.35Å; V400-N402 PolarHBondContact O-N 2.73Å; V400-L403 WeakPolarHBondContact O-CB 3.22Å; V400-L403 PolarHBondContact O-N 3.21Å; V400-V404 PolarHBondContact O-N 2.65Å; V400-L446 HydrophobicContact CG2-CD1 3.57Å; V400-L446 HydrophobicContact CG2-CD2 4.37Å; V400-L446 HydrophobicContact CG2-CG 3.82Å
401	A	63.9	Low	72.9	Confident	58 Å²	58	26.7 Å²	26.7	48%	0.479	17%	0.17	S	C	.	.	H	α-helix	trans	-57.7	-49.2	179.7	0	0	0	0	0	111	P399 L403 V404 D405	P399-A401 PolarHBondContact O-N 3.42Å; A401-L403 PolarHBondContact O-N 3.35Å; A401-L403 VanDerWaalsContact O-N 3.1Å; A401-V404 PolarHBondContact O-N 3.01Å; A401-D405 VanDerWaalsContact O-CG 3.26Å; A401-D405 PolarHBondContact O-N 2.85Å; A401-D405 VanDerWaalsContact O-OD2 3.09Å
402	N	71.4	Confident	69.9	Low	60 Å²	60	34.5 Å²	34.5	32%	0.321	20%	0.2	S	C	.	.	H	α-helix	trans	-61.8	-18	177.3	-60.9	87.9	0	0	0	114.1	L398 P399 V400 D405 L406	L398-N402 HydrophobicContact CD1-CB 3.76Å; L398-N402 HydrophobicContact CG-CB 3.95Å; P399-N402 HydrophobicContact CB-CB 4.48Å; P399-N402 WeakPolarHBondContact CB-OD1 2.81Å; P399-N402 CarbonylContact O-C 3.23Å; P399-N402 WeakPolarHBondContact O-CA 3.27Å; P399-N402 WeakPolarHBondContact O-CB 3.23Å; P399-N402 PolarHBondContact O-N 2.83Å; V400-N402 VanDerWaalsContact C-N 3.35Å; V400-N402 PolarHBondContact O-N 2.73Å; N402-D405 CarbonylContact O-C 3.55Å; N402-L406 WeakPolarHBondContact O-CB 3.37Å; N402-L406 PolarHBondContact O-N 2.91Å; N402-L406 VanDerWaalsContact O-N 3.13Å
403	L	74	Confident	66.9	Low	1 Å²	1	39.3 Å²	39.3	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-80.2	-39.2	172	-176.1	62.2	0	0	0	111.7	W370 L398 P399 V400 A401 L406 L407 I432 T450	W370-L403 HydrophobicContact CD2-CD1 4.44Å; W370-L403 HydrophobicContact CD2-CD2 4.32Å; W370-L403 HydrophobicContact CE3-CD2 4.08Å; W370-L403 HydrophobicContact CH2-CD2 3.89Å; W370-L403 HydrophobicContact CZ2-CD2 4.11Å; W370-L403 HydrophobicContact CZ3-CD2 3.85Å; L398-L403 HydrophobicContact CD2-CB 4.21Å; L398-L403 HydrophobicContact CD2-CD1 4.14Å; P399-L403 PolarHBondContact O-N 2.84Å; V400-L403 WeakPolarHBondContact O-CB 3.22Å; V400-L403 PolarHBondContact O-N 3.21Å; A401-L403 PolarHBondContact O-N 3.35Å; A401-L403 VanDerWaalsContact O-N 3.1Å; L403-L406 HydrophobicContact CD1-CD2 4.4Å; L403-L406 WeakPolarHBondContact O-CB 2.9Å; L403-L406 PolarHBondContact O-N 3.48Å; L403-L407 HydrophobicContact CD1-CD1 4.08Å; L403-L407 HydrophobicContact CD1-CG 4.19Å; L403-L407 HydrophobicContact CG-CD1 4.02Å; L403-L407 VanDerWaalsContact O-CG 3.31Å; L403-L407 WeakPolarHBondContact O-CG 3.18Å; L403-L407 PolarHBondContact O-N 2.86Å; L403-I432 HydrophobicContact CD1-CD1 4.13Å; L403-T450 HydrophobicContact CD2-CG2 4.47Å
404	V	74.5	Confident	64	Low	31 Å²	31	43.3 Å²	43.3	19%	0.188	26%	0.258	C	S	.	.	H	α-helix	trans	-62.6	-46.7	168.5	-174.4	0	0	0	0	109.8	V400 A401 L406 L407 N408 S409 T450 L468	V400-V404 PolarHBondContact O-N 2.65Å; A401-V404 PolarHBondContact O-N 3.01Å; V404-L406 PolarHBondContact O-N 2.89Å; V404-L407 PolarHBondContact O-N 3.29Å; V404-N408 WeakPolarHBondContact O-CB 2.84Å; V404-N408 PolarHBondContact O-N 2.93Å; V404-S409 PolarHBondContact O-N 2.85Å; V404-T450 HydrophobicContact CG2-CG2 3.55Å; V404-L468 HydrophobicContact CG1-CD1 4.34Å; V404-L468 HydrophobicContact CG1-CG 4.42Å
405	D	70.4	Confident	61.3	Low	59 Å²	59	51.5 Å²	51.5	32%	0.316	30%	0.296	S	S	.	.	H	α-helix	trans	-71.6	6.2	176	-52.6	-38.4	0	0	0	113.2	A401 N402 S409	A401-D405 VanDerWaalsContact O-CG 3.26Å; A401-D405 PolarHBondContact O-N 2.85Å; A401-D405 VanDerWaalsContact O-OD2 3.09Å; N402-D405 CarbonylContact O-C 3.55Å; D405-S409 VanDerWaalsContact O-CA 3.25Å; D405-S409 WeakPolarHBondContact O-CA 3.47Å; D405-S409 WeakPolarHBondContact O-CB 3.21Å
406	L	76.8	Confident	58.8	Low	4 Å²	4	59 Å²	59	2%	0.021	33%	0.326	C	S	.	.	H	α-helix	trans	-108.5	-44.2	168	175.9	59.9	0	0	0	112.1	T392 A394 L398 N402 L403 V404 I427 L519	T392-L406 HydrophobicContact CG2-CD1 3.88Å; T392-L406 HydrophobicContact CG2-CG 4.48Å; A394-L406 HydrophobicContact CB-CD2 3.62Å; L398-L406 HydrophobicContact CD2-CB 4.36Å; L398-L406 HydrophobicContact CD2-CD2 3.68Å; N402-L406 WeakPolarHBondContact O-CB 3.37Å; N402-L406 PolarHBondContact O-N 2.91Å; N402-L406 VanDerWaalsContact O-N 3.13Å; L403-L406 HydrophobicContact CD1-CD2 4.4Å; L403-L406 WeakPolarHBondContact O-CB 2.9Å; L403-L406 PolarHBondContact O-N 3.48Å; V404-L406 PolarHBondContact O-N 2.89Å; L406-I427 HydrophobicContact CD1-CD1 3.81Å; L406-I427 WeakPolarHBondContact O-CB 3.42Å; L406-L519 HydrophobicContact CD1-CD1 3.6Å; L406-L519 HydrophobicContact CD1-CD2 3.59Å; L406-L519 HydrophobicContact CD1-CG 4.05Å; L406-L519 HydrophobicContact CD2-CD1 3.91Å; L406-L519 HydrophobicContact CG-CD1 4.41Å
407	L	78.2	Confident	56.5	Low	2 Å²	2	67.6 Å²	67.6	1%	0.01	36%	0.363	C	S	.	.	H	α-helix	trans	-79.1	-41.7	-174.7	-63.5	169.8	0	0	0	112.2	C368 L403 V404 N428 C429 I432 L468 L471	C368-L407 HydrophobicContact CB-CD2 3.44Å; C368-L407 VanDerWaalsContact CB-CD2 3.44Å; L403-L407 HydrophobicContact CD1-CD1 4.08Å; L403-L407 HydrophobicContact CD1-CG 4.19Å; L403-L407 HydrophobicContact CG-CD1 4.02Å; L403-L407 VanDerWaalsContact O-CG 3.31Å; L403-L407 WeakPolarHBondContact O-CG 3.18Å; L403-L407 PolarHBondContact O-N 2.86Å; V404-L407 PolarHBondContact O-N 3.29Å; L407-N428 WeakPolarHBondContact O-CA 3.37Å; L407-N428 PolarHBondContact O-N 3.16Å; L407-C429 HydrophobicContact CB-CB 4.41Å; L407-C429 HydrophobicContact CD2-CB 3.68Å; L407-C429 PolarHBondContact O-N 3.05Å; L407-I432 HydrophobicContact CD1-CD1 4.08Å; L407-I432 HydrophobicContact CD2-CB 4.26Å; L407-I432 HydrophobicContact CD2-CD1 4.18Å; L407-I432 HydrophobicContact CD2-CG1 4.45Å; L407-L468 HydrophobicContact CB-CD1 4.5Å; L407-L468 HydrophobicContact CB-CD2 3.43Å; L407-L468 VanDerWaalsContact CB-CD2 3.43Å; L407-L468 HydrophobicContact CD1-CD1 4.37Å; L407-L471 HydrophobicContact CD1-CD2 4.17Å
408	N	73.1	Confident	54.3	Low	13 Å²	13	71.1 Å²	71.1	7%	0.07	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-59.6	162.9	-86.2	-46.1	0	0	0	109.3	V404 V410 K426 I427 T467 L468	V404-N408 WeakPolarHBondContact O-CB 2.84Å; V404-N408 PolarHBondContact O-N 2.93Å; N408-V410 HydrophobicContact CB-CG2 4.19Å; N408-V410 PolarHBondContact O-N 2.87Å; N408-K426 WeakPolarHBondContact O-CA 3.27Å; N408-K426 WeakPolarHBondContact O-CB 3.31Å; N408-I427 PolarHBondContact O-N 3.3Å; N408-T467 VanDerWaalsContact CG-O 3.25Å; N408-T467 PolarHBondContact ND2-O 2.77Å; N408-T467 PolarHBondContact OD1-O 3Å; N408-T467 VanDerWaalsContact OD1-O 3.05Å; N408-L468 HydrophobicContact CB-CD2 3.94Å; N408-L468 WeakPolarHBondContact ND2-CD2 3.49Å; N408-L468 WeakPolarHBondContact ND2-CG 3.43Å
409	S	55.9	Low	52.5	Low	2 Å²	2	74.2 Å²	74.2	1%	0.014	40%	0.401	C	S	.	.			trans	45.9	53.2	-168.7	68.9	0	0	0	0	115.2	V404 D405 G411 L425 I427 Y727	V404-S409 PolarHBondContact O-N 2.85Å; D405-S409 VanDerWaalsContact O-CA 3.25Å; D405-S409 WeakPolarHBondContact O-CA 3.47Å; D405-S409 WeakPolarHBondContact O-CB 3.21Å; S409-G411 PolarHBondContact O-N 2.84Å; S409-G411 VanDerWaalsContact O-N 3.1Å; S409-L425 VanDerWaalsContact O-O 3.05Å; S409-I427 VanDerWaalsContact OG-CB 3.23Å; S409-I427 WeakPolarHBondContact OG-CB 3.38Å; S409-I427 WeakPolarHBondContact OG-CG1 3.44Å; S409-I427 PolarHBondContact OG-N 3.44Å; S409-Y727 WeakPolarHBondContact CB-OH 3.41Å; S409-Y727 VanDerWaalsContact O-CE1 3.31Å; S409-Y727 WeakPolarHBondContact O-CE1 3.31Å; S409-Y727 WeakPolarHBondContact OG-CE1 3.48Å; S409-Y727 PolarHBondContact OG-OH 2.91Å
410	V	37	Very low	51.1	Low	66 Å²	66	76.2 Å²	76.2	40%	0.4	41%	0.413	S	S	.	.			trans	-62.1	113.8	163.4	-159.9	0	0	0	0	107.2	N408 Y412 K426	N408-V410 HydrophobicContact CB-CG2 4.19Å; N408-V410 PolarHBondContact O-N 2.87Å; V410-Y412 PolarHBondContact O-N 2.81Å; V410-Y412 VanDerWaalsContact O-N 3.13Å; V410-K426 HydrophobicContact CG2-CD 4.26Å; V410-K426 HydrophobicContact CG2-CG 4.3Å
411	G	37.1	Very low	49.9	Very low	21 Å²	21	77 Å²	77	22%	0.216	42%	0.424	C	S	.	.			trans	-56.8	120.9	175.4	0	0	0	0	0	110.1	S409 V413	S409-G411 PolarHBondContact O-N 2.84Å; S409-G411 VanDerWaalsContact O-N 3.1Å; G411-V413 PolarHBondContact O-N 2.91Å
412	Y	33.4	Very low	48.6	Very low	165 Å²	165	77.9 Å²	77.9	65%	0.647	42%	0.417	S	S	*	.			trans	-74	54.6	-170.2	-112.6	-79.3	0	0	0	113.4	V410 S414	V410-Y412 PolarHBondContact O-N 2.81Å; V410-Y412 VanDerWaalsContact O-N 3.13Å; Y412-S414 PolarHBondContact O-N 3.49Å
413	V	31.5	Very low	46.9	Very low	100 Å²	100	81.6 Å²	81.6	61%	0.606	43%	0.433	S	S	*	.			trans	-67.9	127.2	161	-175.9	0	0	0	0	107.1	G411 F422	G411-V413 PolarHBondContact O-N 2.91Å; V413-F422 HydrophobicContact CB-CE1 4.13Å; V413-F422 HydrophobicContact CG2-CE1 4.02Å
414	S	31.4	Very low	45	Very low	88 Å²	88	89.3 Å²	89.3	62%	0.615	47%	0.467	S	S	*	.			trans	-31.7	137	-170.8	48.2	0	0	0	0	116.4	Y412 F416	Y412-S414 PolarHBondContact O-N 3.49Å; S414-F416 PolarHBondContact O-N 3.38Å
415	Q	30.7	Very low	43.6	Very low	173 Å²	173	89.4 Å²	89.4	81%	0.808	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	31	-169.2	-156.7	175.3	3.3	0	0	116.4
416	F	32.4	Very low	43.2	Very low	183 Å²	183	88.4 Å²	88.4	80%	0.803	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.9	-3.3	-172	-86.3	-81.3	0	0	0	115.4	S414	S414-F416 PolarHBondContact O-N 3.38Å
417	F	31.3	Very low	43.2	Very low	185 Å²	185	88.2 Å²	88.2	81%	0.811	46%	0.458	S	S	*	.			trans	-134.4	96.5	173	-88.3	-85.8	0	0	0	112.2	N419	F417-N419 VanDerWaalsContact C-N 3.26Å; F417-N419 PolarHBondContact O-N 2.87Å
418	V	32	Very low	43.5	Very low	155 Å²	155	90 Å²	90	94%	0.939	47%	0.468	S	S	*	.			trans	-77.4	81.1	165.5	-174.8	0	0	0	0	108.5
419	N	36.2	Very low	44.4	Very low	78 Å²	78	89.4 Å²	89.4	42%	0.417	47%	0.465	S	S	.	.			trans	-91.7	120.4	172.1	-179.1	-18.8	0	0	0	108.8	F417 A421 F422	F417-N419 VanDerWaalsContact C-N 3.26Å; F417-N419 PolarHBondContact O-N 2.87Å; N419-A421 PolarHBondContact O-N 3.41Å; N419-A421 WeakPolarHBondContact OD1-CB 3.43Å; N419-A421 PolarHBondContact OD1-N 3.05Å; N419-A421 VanDerWaalsContact OD1-N 3.1Å; N419-F422 HydrophobicContact CB-CD2 3.9Å; N419-F422 HydrophobicContact CB-CE2 4.16Å; N419-F422 WeakPolarHBondContact O-CB 3.36Å; N419-F422 PolarHBondContact O-N 3.24Å
420	P	38.4	Very low	46.2	Very low	113 Å²	113	91.4 Å²	91.4	73%	0.734	47%	0.473	S	S	*	.	G	3₁₀ helix	trans	-60.1	-18.4	-175.9	23	-33.4	0	0	0	114.2	F422 E423	P420-F422 PolarHBondContact O-N 2.84Å; P420-F422 VanDerWaalsContact O-N 3.08Å; P420-E423 PolarHBondContact O-N 3.22Å
421	A	38.2	Very low	49	Very low	59 Å²	59	88.3 Å²	88.3	49%	0.488	45%	0.454	S	S	.	.	G	3₁₀ helix	trans	-60.8	-14.6	172	0	0	0	0	0	114.3	N419 E423	N419-A421 PolarHBondContact O-N 3.41Å; N419-A421 WeakPolarHBondContact OD1-CB 3.43Å; N419-A421 PolarHBondContact OD1-N 3.05Å; N419-A421 VanDerWaalsContact OD1-N 3.1Å; A421-E423 VanDerWaalsContact C-N 3.34Å
422	F	37.7	Very low	51.7	Low	77 Å²	77	87.3 Å²	87.3	34%	0.338	44%	0.444	S	S	.	.	G	3₁₀ helix	trans	-81	-6.6	-178.8	-80.8	-115.3	0	0	0	114.1	V413 N419 P420 F424 L425	V413-F422 HydrophobicContact CB-CE1 4.13Å; V413-F422 HydrophobicContact CG2-CE1 4.02Å; N419-F422 HydrophobicContact CB-CD2 3.9Å; N419-F422 HydrophobicContact CB-CE2 4.16Å; N419-F422 WeakPolarHBondContact O-CB 3.36Å; N419-F422 PolarHBondContact O-N 3.24Å; P420-F422 PolarHBondContact O-N 2.84Å; P420-F422 VanDerWaalsContact O-N 3.08Å; F422-F424 PolarHBondContact O-N 3.15Å; F422-L425 HydrophobicContact CB-CD1 4.4Å; F422-L425 HydrophobicContact CD1-CD1 3.62Å; F422-L425 HydrophobicContact CE1-CD1 3.91Å; F422-L425 HydrophobicContact CG-CD1 3.99Å; F422-L425 WeakPolarHBondContact O-CB 3.39Å; F422-L425 PolarHBondContact O-N 3.07Å
423	E	34.1	Very low	54.5	Low	138 Å²	138	79.5 Å²	79.5	65%	0.645	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-62.9	-28.4	-178.7	-172.5	159.2	-125.7	0	0	113.6	P420 A421 L425	P420-E423 PolarHBondContact O-N 3.22Å; A421-E423 VanDerWaalsContact C-N 3.34Å; E423-L425 PolarHBondContact O-N 2.92Å
424	F	35.8	Very low	57.4	Low	163 Å²	163	74.8 Å²	74.8	72%	0.715	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-67.7	-20.9	173.5	-62	-78.9	0	0	0	113.7	F422 K426 Q726	F422-F424 PolarHBondContact O-N 3.15Å; F424-K426 PolarHBondContact O-N 3.41Å; F424-K426 VanDerWaalsContact O-N 3.1Å; F424-Q726 PolarHBondContact O-NE2 3.05Å
425	L	44.9	Very low	60.1	Low	33 Å²	33	70.8 Å²	70.8	17%	0.173	36%	0.356	C	S	.	.	S	Bend	trans	-91	46.8	-171	-49.7	-178.6	0	0	0	111.7	S409 F422 E423 Y727	S409-L425 VanDerWaalsContact O-O 3.05Å; F422-L425 HydrophobicContact CB-CD1 4.4Å; F422-L425 HydrophobicContact CD1-CD1 3.62Å; F422-L425 HydrophobicContact CE1-CD1 3.91Å; F422-L425 HydrophobicContact CG-CD1 3.99Å; F422-L425 WeakPolarHBondContact O-CB 3.39Å; F422-L425 PolarHBondContact O-N 3.07Å; E423-L425 PolarHBondContact O-N 2.92Å; L425-Y727 WeakPolarHBondContact O-CD1 3.38Å
426	K	62	Low	62.4	Low	38 Å²	38	65.3 Å²	65.3	17%	0.165	34%	0.335	C	S	.	.	S	Bend	trans	-138.6	148	-178	-67.8	-170.5	-170.6	-175.4	0	111	R366 N408 V410 F424 N428 Q726	R366-K426 PolarHBondContact NH1-O 3.34Å; N408-K426 WeakPolarHBondContact O-CA 3.27Å; N408-K426 WeakPolarHBondContact O-CB 3.31Å; V410-K426 HydrophobicContact CG2-CD 4.26Å; V410-K426 HydrophobicContact CG2-CG 4.3Å; F424-K426 PolarHBondContact O-N 3.41Å; F424-K426 VanDerWaalsContact O-N 3.1Å; K426-N428 WeakPolarHBondContact CB-OD1 3.41Å; K426-N428 WeakPolarHBondContact CD-OD1 3.31Å; K426-Q726 VanDerWaalsContact O-CG 3.25Å; K426-Q726 WeakPolarHBondContact O-CG 3.37Å; K426-Q726 PolarHBondContact O-NE2 3.24Å
427	I	75.3	Confident	64.5	Low	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.302	C	S	.	.			trans	-74.5	-33.7	167.1	-78.9	172.1	0	0	0	110.5	R366 L406 N408 S409 C429 I517 P529 Q726 Y727	R366-I427 WeakPolarHBondContact CD-O 3.38Å; R366-I427 PolarHBondContact NH1-O 2.94Å; L406-I427 HydrophobicContact CD1-CD1 3.81Å; L406-I427 WeakPolarHBondContact O-CB 3.42Å; N408-I427 PolarHBondContact O-N 3.3Å; S409-I427 VanDerWaalsContact OG-CB 3.23Å; S409-I427 WeakPolarHBondContact OG-CB 3.38Å; S409-I427 WeakPolarHBondContact OG-CG1 3.44Å; S409-I427 PolarHBondContact OG-N 3.44Å; I427-C429 HydrophobicContact CG2-CB 4.45Å; I427-C429 WeakPolarHBondContact CG2-SG 3.46Å; I427-C429 PolarHBondContact O-N 2.63Å; I427-I517 HydrophobicContact CD1-CG2 3.82Å; I427-I517 HydrophobicContact CG1-CD1 4.18Å; I427-I517 HydrophobicContact CG1-CG2 4.09Å; I427-P529 HydrophobicContact CD1-CB 4.01Å; I427-P529 HydrophobicContact CG1-CB 4.46Å; I427-Q726 HydrophobicContact CG1-CG 4.19Å; I427-Y727 WeakPolarHBondContact CD1-OH 3.46Å; I427-Y727 HydrophobicContact CG1-CE1 4.08Å; I427-Y727 WeakPolarHBondContact CG1-OH 3.39Å
428	N	85.5	Confident	66.4	Low	40 Å²	40	52 Å²	52	21%	0.214	29%	0.293	C	S	.	.			trans	48.3	53.6	176.9	-70	-20.1	0	0	0	112.6	L407 K426 K430 C470	L407-N428 WeakPolarHBondContact O-CA 3.37Å; L407-N428 PolarHBondContact O-N 3.16Å; K426-N428 WeakPolarHBondContact CB-OD1 3.41Å; K426-N428 WeakPolarHBondContact CD-OD1 3.31Å; N428-K430 PolarHBondContact O-N 3.38Å; N428-C470 HydrophobicContact CB-CB 4.01Å
429	C	91.3	Very high	67.9	Low	1 Å²	1	50 Å²	50	1%	0.007	27%	0.271	C	S	.	.			trans	-61.2	123	174.7	-83.9	0	0	0	0	110	R366 C368 L407 I427 C470 L471	R366-C429 CarbonylContact O-C 3.58Å; R366-C429 WeakPolarHBondContact O-CA 3.5Å; C368-C429 HydrophobicContact CB-CB 4.49Å; L407-C429 HydrophobicContact CB-CB 4.41Å; L407-C429 HydrophobicContact CD2-CB 3.68Å; L407-C429 PolarHBondContact O-N 3.05Å; I427-C429 HydrophobicContact CG2-CB 4.45Å; I427-C429 WeakPolarHBondContact CG2-SG 3.46Å; I427-C429 PolarHBondContact O-N 2.63Å; C429-C470 CarbonylContact O-C 3.6Å; C429-L471 WeakPolarHBondContact O-CA 3.27Å; C429-L471 PolarHBondContact O-N 3.35Å
430	K	94.2	Very high	69	Low	44 Å²	44	47.8 Å²	47.8	19%	0.191	26%	0.261	C	S	.	.	S	Bend	trans	-80	-31.1	174.4	-171.4	-176.1	169.5	-171.7	0	111.5	G360 L361 D365 R366 N428 C470 T472 H473	G360-K430 PolarHBondContact O-NZ 3.18Å; L361-K430 HydrophobicContact CD2-CD 3.83Å; L361-K430 HydrophobicContact CD2-CG 4.07Å; D365-K430 HydrophobicContact CB-CD 4.16Å; D365-K430 WeakPolarHBondContact OD1-CD 3.45Å; D365-K430 IonicContact OD1-NZ 3.67Å; D365-K430 WeakPolarHBondContact OD2-CD 3.38Å; D365-K430 WeakPolarHBondContact OD2-CE 3.44Å; D365-K430 IonicContact OD2-NZ 2.7Å; D365-K430 PolarHBondContact OD2-NZ 3.41Å; R366-K430 PolarHBondContact O-N 2.87Å; N428-K430 PolarHBondContact O-N 3.38Å; K430-C470 WeakPolarHBondContact CA-O 3.48Å; K430-T472 VanDerWaalsContact CG-OG1 3.25Å; K430-T472 WeakPolarHBondContact CG-OG1 3.4Å; K430-T472 PolarHBondContact O-N 3Å; K430-T472 PolarHBondContact O-OG1 3.45Å; K430-H473 PolarHBondContact O-CE1 2.91Å; K430-H473 PolarHBondContact O-N 3.44Å
431	A	95.5	Very high	70.2	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	151.1	175.5	0	0	0	0	0	113	L361 R366 V367 C368 H473	L361-A431 HydrophobicContact CD1-CB 3.9Å; L361-A431 HydrophobicContact CD2-CB 4.09Å; R366-A431 PolarHBondContact O-N 3.42Å; V367-A431 HydrophobicContact CG1-CB 4.21Å; V367-A431 HydrophobicContact CG2-CB 4.21Å; C368-A431 PolarHBondContact N-O 2.89Å; A431-H473 VanDerWaalsContact CA-O 3.27Å; A431-H473 WeakPolarHBondContact CA-O 3.14Å; A431-H473 HydrophobicContact CB-CB 3.81Å
432	I	93.6	Very high	71.8	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	136.6	158.7	-172.5	174.1	0	0	0	110	C368 W370 L403 L407 L471 H473 V474 I475	C368-I432 HydrophobicContact CB-CB 4.28Å; C368-I432 HydrophobicContact CB-CG1 4.01Å; C368-I432 CarbonylContact O-C 3.6Å; C368-I432 WeakPolarHBondContact O-CA 3.41Å; W370-I432 HydrophobicContact CB-CD1 4.13Å; W370-I432 HydrophobicContact CB-CG1 4.36Å; W370-I432 HydrophobicContact CD2-CD1 4.38Å; W370-I432 HydrophobicContact CE3-CD1 3.8Å; L403-I432 HydrophobicContact CD1-CD1 4.13Å; L407-I432 HydrophobicContact CD1-CD1 4.08Å; L407-I432 HydrophobicContact CD2-CB 4.26Å; L407-I432 HydrophobicContact CD2-CD1 4.18Å; L407-I432 HydrophobicContact CD2-CG1 4.45Å; I432-L471 HydrophobicContact CB-CD1 4.3Å; I432-L471 HydrophobicContact CG2-CD1 4.12Å; I432-L471 HydrophobicContact CG2-CD2 4.49Å; I432-H473 PolarHBondContact N-O 2.95Å; I432-V474 HydrophobicContact CG2-CB 4.3Å; I432-V474 HydrophobicContact CG2-CG1 4.11Å; I432-V474 HydrophobicContact CG2-CG2 3.93Å; I432-I475 PolarHBondContact O-N 2.89Å
433	V	93.4	Very high	73.6	Confident	2 Å²	2	45.8 Å²	45.8	1%	0.012	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	114.5	168.5	-166.1	0	0	0	0	108.2	V367 C368 L369 W370 F435 I475 F489	V367-V433 HydrophobicContact CG1-CG2 4.06Å; C368-V433 PolarHBondContact O-N 3.11Å; L369-V433 HydrophobicContact CD2-CB 3.78Å; L369-V433 HydrophobicContact CD2-CG2 3.62Å; W370-V433 PolarHBondContact N-O 3.41Å; V433-F435 HydrophobicContact CB-CE2 4Å; V433-F435 HydrophobicContact CB-CZ 4.09Å; V433-F435 HydrophobicContact CG1-CE1 3.92Å; V433-F435 HydrophobicContact CG1-CE2 3.7Å; V433-F435 HydrophobicContact CG1-CZ 3.34Å; V433-I475 WeakPolarHBondContact CA-O 3.34Å; V433-I475 HydrophobicContact CG1-CB 4.32Å; V433-I475 HydrophobicContact CG1-CG2 4.15Å; V433-I475 HydrophobicContact CG2-CB 4.33Å; V433-I475 HydrophobicContact CG2-CD1 4.08Å; V433-F489 HydrophobicContact CG1-CD2 3.99Å; V433-F489 HydrophobicContact CG1-CE2 4.2Å
434	C	91	Very high	75.6	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	114.7	-173.8	-57.6	0	0	0	0	109.9	W370 I443 L447 I475 I476 A477	W370-C434 HydrophobicContact CE3-CB 4.17Å; C434-I443 HydrophobicContact CB-CD1 3.86Å; C434-I443 HydrophobicContact CB-CG1 4.5Å; C434-L447 HydrophobicContact CB-CD1 4.36Å; C434-I475 PolarHBondContact N-O 3.44Å; C434-I476 HydrophobicContact CB-CG1 4.39Å; C434-A477 PolarHBondContact O-N 3.41Å
435	F	87.7	Confident	77.6	Confident	5 Å²	5	38.7 Å²	38.7	2%	0.022	22%	0.22	C	C	.	.			trans	-103	119.3	175.8	-54.8	-83	0	0	0	109.9	L369 W370 E376 L377 A380 V433 A477 F489	L369-F435 HydrophobicContact CB-CE2 4.42Å; W370-F435 WeakPolarHBondContact O-CD2 3.48Å; W370-F435 PolarHBondContact O-N 3.26Å; E376-F435 VanDerWaalsContact C-CE1 3.45Å; E376-F435 HydrophobicContact CB-CD1 3.71Å; E376-F435 HydrophobicContact CB-CE1 3.53Å; E376-F435 WeakPolarHBondContact O-CE1 3.48Å; L377-F435 HydrophobicContact CB-CD2 4.31Å; L377-F435 HydrophobicContact CB-CE2 4.27Å; L377-F435 HydrophobicContact CD1-CD2 3.91Å; L377-F435 HydrophobicContact CD1-CE2 3.61Å; L377-F435 HydrophobicContact CD1-CZ 4.42Å; A380-F435 HydrophobicContact CB-CE2 4.45Å; A380-F435 HydrophobicContact CB-CZ 3.68Å; V433-F435 HydrophobicContact CB-CE2 4Å; V433-F435 HydrophobicContact CB-CZ 4.09Å; V433-F435 HydrophobicContact CG1-CE1 3.92Å; V433-F435 HydrophobicContact CG1-CE2 3.7Å; V433-F435 HydrophobicContact CG1-CZ 3.34Å; F435-A477 HydrophobicContact CD1-CB 3.57Å; F435-A477 HydrophobicContact CE1-CB 4.02Å; F435-A477 HydrophobicContact CG-CB 4.47Å; F435-F489 HydrophobicContact CE1-CD2 4.12Å; F435-F489 AromaticContact CE1-CE2 3.74Å; F435-F489 HydrophobicContact CE1-CE2 3.74Å; F435-F489 HydrophobicContact CE1-CZ 4.35Å; F435-F489 HydrophobicContact CZ-CE2 4.07Å
436	P	80.1	Confident	79.2	Confident	57 Å²	57	38.9 Å²	38.9	37%	0.37	22%	0.221	S	C	.	.			trans	-53.6	144	170.6	-25.1	35	0	0	0	111.7	I443 A477	P436-I443 HydrophobicContact CG-CG2 4.38Å; P436-A477 WeakPolarHBondContact CD-O 3.35Å; P436-A477 VanDerWaalsContact CG-O 3.26Å; P436-A477 WeakPolarHBondContact CG-O 3.08Å
437	S	75.6	Confident	80	Confident	13 Å²	13	37.1 Å²	37.1	9%	0.091	21%	0.213	C	C	.	.			trans	-140	136.9	-174	168.2	0	0	0	0	109	K439 V440 E587	S437-K439 PolarHBondContact O-N 3.33Å; S437-K439 PolarHBondContact OG-N 3.37Å; S437-V440 PolarHBondContact O-N 2.87Å; S437-E587 VanDerWaalsContact CA-OE1 3.24Å; S437-E587 WeakPolarHBondContact CA-OE1 3.48Å; S437-E587 WeakPolarHBondContact CB-OE1 3.31Å; S437-E587 PolarHBondContact OG-OE1 2.66Å
438	A	71.1	Confident	80.4	Confident	77 Å²	77	38.9 Å²	38.9	64%	0.636	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.9	0.5	179.3	0	0	0	0	0	113.8	E587	A438-E587 WeakPolarHBondContact CB-OE2 3.49Å; A438-E587 PolarHBondContact N-OE1 3.37Å; A438-E587 PolarHBondContact N-OE2 2.79Å
439	K	63.8	Low	80.1	Confident	111 Å²	111	43.7 Å²	43.7	48%	0.483	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-12.9	170.8	-67.2	-175.8	177	165.9	0	114.1	T397 S437 Q588	T397-K439 HydrophobicContact CG2-CB 3.78Å; T397-K439 HydrophobicContact CG2-CD 4.13Å; S437-K439 PolarHBondContact O-N 3.33Å; S437-K439 PolarHBondContact OG-N 3.37Å; K439-Q588 HydrophobicContact CG-CG 4.47Å
440	V	60.8	Low	79.3	Confident	32 Å²	32	44.1 Å²	44.1	19%	0.194	25%	0.251	C	S	.	.	S	Bend	trans	-115.5	146.6	-178.3	-177.9	0	0	0	0	107.4	P396 S437	P396-V440 HydrophobicContact CB-CG2 3.88Å; P396-V440 VanDerWaalsContact O-CG2 3.28Å; P396-V440 WeakPolarHBondContact O-CG2 3.46Å; S437-V440 PolarHBondContact O-N 2.87Å
441	G	62.3	Low	78.7	Confident	68 Å²	68	42 Å²	42	70%	0.701	24%	0.242	S	C	*	.	S	Bend	trans	-72.7	-146	172	0	0	0	0	0	111.6	I443	G441-I443 PolarHBondContact O-N 3.3Å
442	K	72.2	Confident	78.2	Confident	127 Å²	127	45.5 Å²	45.5	55%	0.552	27%	0.265	S	S	*	.			trans	-58.8	101	173.3	-74.9	-172.5	176.6	-171.3	0	111.2	D444 Q445 L446	K442-D444 VanDerWaalsContact C-OD1 3.32Å; K442-D444 VanDerWaalsContact CA-OD1 3.31Å; K442-D444 WeakPolarHBondContact CA-OD1 3.43Å; K442-D444 WeakPolarHBondContact CB-OD1 3.27Å; K442-D444 PolarHBondContact O-N 3.04Å; K442-Q445 HydrophobicContact CB-CB 3.95Å; K442-Q445 HydrophobicContact CB-CG 3.69Å; K442-Q445 HydrophobicContact CD-CG 4.06Å; K442-Q445 WeakPolarHBondContact O-CB 3.36Å; K442-Q445 PolarHBondContact O-N 3.42Å; K442-L446 PolarHBondContact O-N 3.03Å; K442-L446 VanDerWaalsContact O-N 3.17Å
443	I	75.5	Confident	77.9	Confident	13 Å²	13	47.4 Å²	47.4	7%	0.067	27%	0.274	C	S	.	.	H	α-helix	trans	-62.2	-28.6	179	-162.4	165.2	0	0	0	111.1	W370 C434 P436 G441 L446 L447	W370-I443 HydrophobicContact CE3-CD1 4.03Å; W370-I443 HydrophobicContact CE3-CG1 4.35Å; W370-I443 HydrophobicContact CH2-CD1 4Å; W370-I443 HydrophobicContact CH2-CG1 3.62Å; W370-I443 HydrophobicContact CZ3-CD1 3.71Å; W370-I443 HydrophobicContact CZ3-CG1 3.53Å; C434-I443 HydrophobicContact CB-CD1 3.86Å; C434-I443 HydrophobicContact CB-CG1 4.5Å; P436-I443 HydrophobicContact CG-CG2 4.38Å; G441-I443 PolarHBondContact O-N 3.3Å; I443-L446 PolarHBondContact O-N 3.37Å; I443-L447 WeakPolarHBondContact O-CB 3.23Å; I443-L447 VanDerWaalsContact O-CG 3.25Å; I443-L447 WeakPolarHBondContact O-CG 3.43Å; I443-L447 PolarHBondContact O-N 3.42Å
444	D	76.3	Confident	77.5	Confident	39 Å²	39	47.4 Å²	47.4	21%	0.209	27%	0.274	C	S	.	.	H	α-helix	trans	-57.8	-49.2	166.8	52.7	-66.6	0	0	0	112.7	K442 L446 L447 A448 V482 F483	K442-D444 VanDerWaalsContact C-OD1 3.32Å; K442-D444 VanDerWaalsContact CA-OD1 3.31Å; K442-D444 WeakPolarHBondContact CA-OD1 3.43Å; K442-D444 WeakPolarHBondContact CB-OD1 3.27Å; K442-D444 PolarHBondContact O-N 3.04Å; D444-L446 VanDerWaalsContact C-N 3.33Å; D444-L446 PolarHBondContact O-N 3.13Å; D444-L447 PolarHBondContact O-N 3.38Å; D444-A448 WeakPolarHBondContact O-CB 3.35Å; D444-A448 PolarHBondContact O-N 2.96Å; D444-V482 HydrophobicContact CB-CB 4.04Å; D444-V482 HydrophobicContact CB-CG1 4.23Å; D444-V482 HydrophobicContact CB-CG2 3.78Å; D444-F483 HydrophobicContact CB-CE2 4.14Å; D444-F483 HydrophobicContact CB-CZ 4.19Å; D444-F483 VanDerWaalsContact O-CZ 3.31Å; D444-F483 WeakPolarHBondContact O-CZ 3.31Å
445	Q	78.3	Confident	77.2	Confident	112 Å²	112	51 Å²	51	52%	0.523	30%	0.303	S	S	.	.	H	α-helix	trans	-61.9	-42.6	176.4	-68.9	-176.2	-46.4	0	0	111.3	K442 L447 A448 E449	K442-Q445 HydrophobicContact CB-CB 3.95Å; K442-Q445 HydrophobicContact CB-CG 3.69Å; K442-Q445 HydrophobicContact CD-CG 4.06Å; K442-Q445 WeakPolarHBondContact O-CB 3.36Å; K442-Q445 PolarHBondContact O-N 3.42Å; Q445-L447 PolarHBondContact O-N 2.93Å; Q445-A448 PolarHBondContact O-N 3.48Å; Q445-E449 WeakPolarHBondContact O-CG 3.31Å; Q445-E449 PolarHBondContact O-N 3.29Å
446	L	77.1	Confident	77	Confident	38 Å²	38	56.5 Å²	56.5	20%	0.199	34%	0.337	C	S	.	.	H	α-helix	trans	-62.3	-43	177.7	-145.6	79.3	0	0	0	111.8	W370 V400 K442 I443 D444 E449 T450	W370-L446 HydrophobicContact CH2-CB 4.43Å; W370-L446 HydrophobicContact CH2-CD2 3.57Å; W370-L446 HydrophobicContact CZ2-CD2 3.66Å; V400-L446 HydrophobicContact CG2-CD1 3.57Å; V400-L446 HydrophobicContact CG2-CD2 4.37Å; V400-L446 HydrophobicContact CG2-CG 3.82Å; K442-L446 PolarHBondContact O-N 3.03Å; K442-L446 VanDerWaalsContact O-N 3.17Å; I443-L446 PolarHBondContact O-N 3.37Å; D444-L446 VanDerWaalsContact C-N 3.33Å; D444-L446 PolarHBondContact O-N 3.13Å; L446-E449 PolarHBondContact O-N 2.89Å; L446-T450 WeakPolarHBondContact O-CB 3.28Å; L446-T450 PolarHBondContact O-N 3.43Å; L446-T450 PolarHBondContact O-OG1 3.28Å
447	L	80.3	Confident	77.2	Confident	1 Å²	1	55.2 Å²	55.2	1%	0.005	33%	0.33	C	S	.	.	H	α-helix	trans	-64.6	-41.1	175.5	-74.7	167.1	0	0	0	112	W370 C434 I443 D444 Q445 E449 T450 L451 L454 I476 F483	W370-L447 HydrophobicContact CZ3-CD2 4.07Å; W370-L447 HydrophobicContact CZ3-CG 4.21Å; C434-L447 HydrophobicContact CB-CD1 4.36Å; I443-L447 WeakPolarHBondContact O-CB 3.23Å; I443-L447 VanDerWaalsContact O-CG 3.25Å; I443-L447 WeakPolarHBondContact O-CG 3.43Å; I443-L447 PolarHBondContact O-N 3.42Å; D444-L447 PolarHBondContact O-N 3.38Å; Q445-L447 PolarHBondContact O-N 2.93Å; L447-E449 VanDerWaalsContact C-N 3.35Å; L447-E449 PolarHBondContact O-N 3.46Å; L447-T450 PolarHBondContact O-N 2.96Å; L447-L451 WeakPolarHBondContact O-CA 3.21Å; L447-L451 WeakPolarHBondContact O-CB 3.05Å; L447-L451 PolarHBondContact O-N 3.12Å; L447-L454 HydrophobicContact CB-CD1 3.83Å; L447-I476 HydrophobicContact CD1-CD1 3.95Å; L447-I476 HydrophobicContact CD1-CG1 4.44Å; L447-F483 HydrophobicContact CB-CE2 4.03Å; L447-F483 HydrophobicContact CD1-CE2 4.47Å
448	A	82.4	Confident	77.4	Confident	37 Å²	37	58.7 Å²	58.7	31%	0.306	35%	0.354	S	S	.	.	H	α-helix	trans	-66.5	-32.4	177.2	0	0	0	0	0	113.5	D444 Q445 P452 F483	D444-A448 WeakPolarHBondContact O-CB 3.35Å; D444-A448 PolarHBondContact O-N 2.96Å; Q445-A448 PolarHBondContact O-N 3.48Å; A448-P452 WeakPolarHBondContact O-CA 3.29Å; A448-F483 HydrophobicContact CB-CE1 4.22Å; A448-F483 HydrophobicContact CB-CZ 3.98Å
449	E	79.9	Confident	78.1	Confident	141 Å²	141	57.9 Å²	57.9	66%	0.659	34%	0.344	S	S	*	.	H	α-helix	trans	-71.3	-33	171.1	-72.4	179.5	-174.5	0	0	112.5	Q445 L446 L447	Q445-E449 WeakPolarHBondContact O-CG 3.31Å; Q445-E449 PolarHBondContact O-N 3.29Å; L446-E449 PolarHBondContact O-N 2.89Å; L447-E449 VanDerWaalsContact C-N 3.35Å; L447-E449 PolarHBondContact O-N 3.46Å
450	T	74.7	Confident	79.4	Confident	9 Å²	9	56.1 Å²	56.1	6%	0.055	34%	0.336	C	S	.	.	H	α-helix	trans	-79.1	-41.2	-179	-51.7	0	0	0	0	112.5	L403 V404 L446 L447	L403-T450 HydrophobicContact CD2-CG2 4.47Å; V404-T450 HydrophobicContact CG2-CG2 3.55Å; L446-T450 WeakPolarHBondContact O-CB 3.28Å; L446-T450 PolarHBondContact O-N 3.43Å; L446-T450 PolarHBondContact O-OG1 3.28Å; L447-T450 PolarHBondContact O-N 2.96Å
451	L	82.2	Confident	80.8	Confident	1 Å²	1	55.4 Å²	55.4	1%	0.005	34%	0.335	C	S	.	.			trans	-138.2	76.2	-167.8	-77.3	160.6	0	0	0	108.5	L447 E453 L454 S465 L468 L471	L447-L451 WeakPolarHBondContact O-CA 3.21Å; L447-L451 WeakPolarHBondContact O-CB 3.05Å; L447-L451 PolarHBondContact O-N 3.12Å; L451-E453 PolarHBondContact O-N 2.8Å; L451-E453 VanDerWaalsContact O-N 3.07Å; L451-L454 HydrophobicContact CB-CD1 3.71Å; L451-L454 HydrophobicContact CB-CG 3.87Å; L451-L454 HydrophobicContact CD1-CD1 4.13Å; L451-L454 WeakPolarHBondContact O-CB 3.43Å; L451-L454 WeakPolarHBondContact O-CG 3.24Å; L451-L454 PolarHBondContact O-N 3.31Å; L451-S465 WeakPolarHBondContact CD2-OG 3.21Å; L451-L468 HydrophobicContact CD1-CD1 4.34Å; L451-L468 HydrophobicContact CD2-CB 4.08Å; L451-L468 HydrophobicContact CD2-CD1 3.56Å; L451-L468 HydrophobicContact CD2-CG 4.4Å; L451-L468 HydrophobicContact CG-CD1 3.99Å; L451-L471 HydrophobicContact CD1-CD2 3.54Å; L451-L471 HydrophobicContact CD2-CD2 4.24Å
452	P	84.1	Confident	82.1	Confident	73 Å²	73	55.4 Å²	55.4	47%	0.474	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-61.8	-19.1	-178	26.3	-34.8	0	0	0	112.7	A448 L454 A455	A448-P452 WeakPolarHBondContact O-CA 3.29Å; P452-L454 PolarHBondContact O-N 3.03Å; P452-A455 PolarHBondContact O-N 3.37Å
453	E	87.4	Confident	83	Confident	39 Å²	39	49.5 Å²	49.5	18%	0.182	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-64.4	-19.3	173.8	-55.8	81.6	-158.2	0	0	113.3	L451 A455 T456 S457 L463 S465 P466	L451-E453 PolarHBondContact O-N 2.8Å; L451-E453 VanDerWaalsContact O-N 3.07Å; E453-A455 PolarHBondContact O-N 3.17Å; E453-T456 PolarHBondContact O-N 3.33Å; E453-T456 PolarHBondContact O-OG1 2.89Å; E453-S457 VanDerWaalsContact O-CB 3.3Å; E453-S457 WeakPolarHBondContact O-CB 3.5Å; E453-S457 PolarHBondContact O-N 3.29Å; E453-L463 HydrophobicContact CB-CD1 4.07Å; E453-S465 WeakPolarHBondContact OE2-CB 3.44Å; E453-S465 PolarHBondContact OE2-OG 3.32Å; E453-P466 WeakPolarHBondContact OE1-CD 3.23Å
454	L	85.9	Confident	83.6	Confident	2 Å²	2	55.8 Å²	55.8	1%	0.01	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-64.6	-27.7	174.3	-71.5	173.7	0	0	0	113.2	L447 L451 P452 L463 V474 F483 C485	L447-L454 HydrophobicContact CB-CD1 3.83Å; L451-L454 HydrophobicContact CB-CD1 3.71Å; L451-L454 HydrophobicContact CB-CG 3.87Å; L451-L454 HydrophobicContact CD1-CD1 4.13Å; L451-L454 WeakPolarHBondContact O-CB 3.43Å; L451-L454 WeakPolarHBondContact O-CG 3.24Å; L451-L454 PolarHBondContact O-N 3.31Å; P452-L454 PolarHBondContact O-N 3.03Å; L454-L463 HydrophobicContact CD2-CD1 4.12Å; L454-L463 HydrophobicContact CD2-CD2 3.8Å; L454-L463 HydrophobicContact CG-CD2 4.45Å; L454-V474 HydrophobicContact CD2-CB 4.27Å; L454-V474 HydrophobicContact CD2-CG1 4.45Å; L454-V474 HydrophobicContact CD2-CG2 4.02Å; L454-F483 HydrophobicContact CB-CB 4.36Å; L454-F483 HydrophobicContact CB-CD1 3.81Å; L454-F483 HydrophobicContact CB-CD2 4.23Å; L454-F483 HydrophobicContact CB-CE1 4.15Å; L454-F483 HydrophobicContact CB-CG 3.86Å; L454-F483 HydrophobicContact CD1-CD2 4.2Å; L454-F483 HydrophobicContact CD1-CE2 4.23Å; L454-F483 WeakPolarHBondContact O-CD1 3.42Å; L454-C485 PolarHBondContact O-SG 3.4Å
455	A	84.1	Confident	84	Confident	76 Å²	76	54.1 Å²	54.1	63%	0.628	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-79.7	-19.8	178.3	0	0	0	0	0	113	P452 E453	P452-A455 PolarHBondContact O-N 3.37Å; E453-A455 PolarHBondContact O-N 3.17Å
456	T	83.4	Confident	84.2	Confident	120 Å²	120	54.1 Å²	54.1	74%	0.736	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.5	-28.7	-175.3	56.1	0	0	0	0	113.6	E453	E453-T456 PolarHBondContact O-N 3.33Å; E453-T456 PolarHBondContact O-OG1 2.89Å
457	S	83.3	Confident	84.4	Confident	31 Å²	31	55.8 Å²	55.8	22%	0.217	33%	0.334	C	S	.	.			trans	-76.5	135	177.9	-173.8	0	0	0	0	112.4	E453 C485	E453-S457 VanDerWaalsContact O-CB 3.3Å; E453-S457 WeakPolarHBondContact O-CB 3.5Å; E453-S457 PolarHBondContact O-N 3.29Å; S457-C485 WeakPolarHBondContact O-CB 3.35Å; S457-C485 PolarHBondContact O-SG 3.19Å
458	S	80	Confident	84.6	Confident	86 Å²	86	55.9 Å²	55.9	60%	0.601	33%	0.334	S	S	*	.			trans	-104.6	-19.5	178.6	51.4	0	0	0	0	114.2
459	S	86.6	Confident	84.8	Confident	60 Å²	60	57.8 Å²	57.8	42%	0.42	34%	0.343	S	S	.	.			trans	-91.6	125	-174.6	-61.3	0	0	0	0	111.3	C485	S459-C485 WeakPolarHBondContact O-CB 3.09Å
460	K	91.5	Very high	85.2	Confident	74 Å²	74	53.2 Å²	53.2	32%	0.322	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	142	173.2	-53.3	-173.5	-178.1	-177.7	0	110.4	D462 K484 C485 A486 F487 E491	K460-D462 PolarHBondContact O-N 3.23Å; K460-K484 WeakPolarHBondContact CE-O 3.45Å; K460-K484 VanDerWaalsContact CG-O 3.3Å; K460-K484 WeakPolarHBondContact CG-O 3.2Å; K460-C485 WeakPolarHBondContact CA-O 3.4Å; K460-A486 WeakPolarHBondContact CD-O 3.48Å; K460-A486 WeakPolarHBondContact CE-O 3.18Å; K460-A486 PolarHBondContact NZ-O 3Å; K460-F487 HydrophobicContact CB-CD1 4.14Å; K460-F487 HydrophobicContact CB-CD2 4.26Å; K460-F487 HydrophobicContact CB-CE1 3.66Å; K460-F487 HydrophobicContact CB-CE2 3.8Å; K460-F487 HydrophobicContact CB-CG 4.42Å; K460-F487 HydrophobicContact CB-CZ 3.48Å; K460-F487 VanDerWaalsContact CB-CZ 3.48Å; K460-F487 HydrophobicContact CD-CD1 3.69Å; K460-F487 HydrophobicContact CD-CE1 3.93Å; K460-F487 HydrophobicContact CD-CG 4.13Å; K460-F487 HydrophobicContact CG-CE1 4.44Å; K460-E491 IonicContact NZ-OE1 2.68Å; K460-E491 PolarHBondContact NZ-OE1 3.13Å; K460-E491 IonicContact NZ-OE2 2.64Å; K460-E491 PolarHBondContact NZ-OE2 3.37Å
461	G	89.4	Confident	86	Confident	16 Å²	16	52.8 Å²	52.8	17%	0.165	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.7	0.1	-178.7	0	0	0	0	0	115.4	T472 H473	G461-T472 CarbonylContact C-O 3.58Å; G461-T472 VanDerWaalsContact C-O 3.23Å; G461-T472 VanDerWaalsContact CA-O 3.3Å; G461-T472 WeakPolarHBondContact CA-O 3.46Å; G461-T472 WeakPolarHBondContact O-CB 3.46Å; G461-H473 PolarHBondContact O-NE2 2.98Å
462	D	89.8	Confident	86.6	Confident	69 Å²	69	54.2 Å²	54.2	37%	0.369	33%	0.332	S	S	.	.			trans	-128.9	36.7	178.7	-171.1	47	0	0	0	111.2	K460 K464 T472	K460-D462 PolarHBondContact O-N 3.23Å; D462-K464 PolarHBondContact O-N 3.36Å; D462-K464 WeakPolarHBondContact OD1-CE 3.22Å; D462-K464 IonicContact OD1-NZ 2.73Å; D462-K464 PolarHBondContact OD1-NZ 2.85Å; D462-K464 IonicContact OD2-NZ 2.68Å; D462-K464 PolarHBondContact OD2-NZ 3.02Å; D462-T472 PolarHBondContact N-O 2.88Å
463	L	89.9	Confident	87	Confident	3 Å²	3	51.4 Å²	51.4	2%	0.016	31%	0.313	C	S	.	.			trans	-63.8	128	172.1	-178.1	64.7	0	0	0	109.8	E453 L454 L471 T472 V474	E453-L463 HydrophobicContact CB-CD1 4.07Å; L454-L463 HydrophobicContact CD2-CD1 4.12Å; L454-L463 HydrophobicContact CD2-CD2 3.8Å; L454-L463 HydrophobicContact CG-CD2 4.45Å; L463-L471 HydrophobicContact CD2-CD2 4.48Å; L463-T472 WeakPolarHBondContact CB-O 3.42Å; L463-T472 PolarHBondContact N-O 2.97Å; L463-V474 HydrophobicContact CD2-CG2 3.74Å
464	K	89.1	Confident	87.3	Confident	144 Å²	144	49.6 Å²	49.6	63%	0.626	31%	0.305	S	S	*	.			trans	-121.8	90.1	-178.3	-77.4	162.6	177	146.9	0	109.4	D462	D462-K464 PolarHBondContact O-N 3.36Å; D462-K464 WeakPolarHBondContact OD1-CE 3.22Å; D462-K464 IonicContact OD1-NZ 2.73Å; D462-K464 PolarHBondContact OD1-NZ 2.85Å; D462-K464 IonicContact OD2-NZ 2.68Å; D462-K464 PolarHBondContact OD2-NZ 3.02Å
465	S	85.2	Confident	87.6	Confident	4 Å²	4	49.6 Å²	49.6	3%	0.028	31%	0.305	C	S	.	.			trans	-101.6	125.8	176.1	-172.9	0	0	0	0	110.7	L451 E453 T467 L468 P469	L451-S465 WeakPolarHBondContact CD2-OG 3.21Å; E453-S465 WeakPolarHBondContact OE2-CB 3.44Å; E453-S465 PolarHBondContact OE2-OG 3.32Å; S465-T467 PolarHBondContact O-N 3.36Å; S465-T467 PolarHBondContact OG-OG1 2.75Å; S465-L468 CarbonylContact O-C 3.24Å; S465-L468 VanDerWaalsContact O-C 3.24Å; S465-L468 PolarHBondContact O-N 2.91Å; S465-L468 PolarHBondContact OG-N 3.49Å; S465-P469 WeakPolarHBondContact O-CA 3.38Å
466	P	82.9	Confident	87.9	Confident	113 Å²	113	46.3 Å²	46.3	73%	0.734	28%	0.277	S	S	*	.	S	Bend	trans	-65.8	-26.1	175.5	-20.9	33.4	0	0	0	113.1	E453	E453-P466 WeakPolarHBondContact OE1-CD 3.23Å
467	T	80.2	Confident	88.2	Confident	73 Å²	73	41.6 Å²	41.6	45%	0.448	25%	0.249	S	C	.	.	S	Bend	trans	-74.8	-49.3	170.8	60	0	0	0	0	109.6	N408 S465 P469	N408-T467 VanDerWaalsContact CG-O 3.25Å; N408-T467 PolarHBondContact ND2-O 2.77Å; N408-T467 PolarHBondContact OD1-O 3Å; N408-T467 VanDerWaalsContact OD1-O 3.05Å; S465-T467 PolarHBondContact O-N 3.36Å; S465-T467 PolarHBondContact OG-OG1 2.75Å; T467-P469 VanDerWaalsContact C-CD 3.41Å; T467-P469 WeakPolarHBondContact O-CD 3.47Å
468	L	85.2	Confident	88.2	Confident	2 Å²	2	41.9 Å²	41.9	1%	0.01	25%	0.252	C	S	.	.			trans	-113.1	67.4	-170.5	-80.1	159.1	0	0	0	112.9	V404 L407 N408 L451 S465 C470 L471	V404-L468 HydrophobicContact CG1-CD1 4.34Å; V404-L468 HydrophobicContact CG1-CG 4.42Å; L407-L468 HydrophobicContact CB-CD1 4.5Å; L407-L468 HydrophobicContact CB-CD2 3.43Å; L407-L468 VanDerWaalsContact CB-CD2 3.43Å; L407-L468 HydrophobicContact CD1-CD1 4.37Å; N408-L468 HydrophobicContact CB-CD2 3.94Å; N408-L468 WeakPolarHBondContact ND2-CD2 3.49Å; N408-L468 WeakPolarHBondContact ND2-CG 3.43Å; L451-L468 HydrophobicContact CD1-CD1 4.34Å; L451-L468 HydrophobicContact CD2-CB 4.08Å; L451-L468 HydrophobicContact CD2-CD1 3.56Å; L451-L468 HydrophobicContact CD2-CG 4.4Å; L451-L468 HydrophobicContact CG-CD1 3.99Å; S465-L468 CarbonylContact O-C 3.24Å; S465-L468 VanDerWaalsContact O-C 3.24Å; S465-L468 PolarHBondContact O-N 2.91Å; S465-L468 PolarHBondContact OG-N 3.49Å; L468-C470 VanDerWaalsContact C-N 3.27Å; L468-C470 PolarHBondContact O-N 3.23Å; L468-C470 VanDerWaalsContact O-N 3.15Å; L468-L471 HydrophobicContact CB-CB 4.04Å; L468-L471 HydrophobicContact CB-CD2 4.49Å; L468-L471 HydrophobicContact CD1-CD2 4.33Å; L468-L471 PolarHBondContact O-N 3.31Å
469	P	85.2	Confident	87.8	Confident	78 Å²	78	45.4 Å²	45.4	51%	0.506	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-16.7	-167.6	28	-37.7	0	0	0	115.3	S465 T467	S465-P469 WeakPolarHBondContact O-CA 3.38Å; T467-P469 VanDerWaalsContact C-CD 3.41Å; T467-P469 WeakPolarHBondContact O-CD 3.47Å
470	C	89.4	Confident	87.2	Confident	45 Å²	45	47.2 Å²	47.2	30%	0.304	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-23.9	174.2	-60.8	0	0	0	0	112.8	N428 C429 K430 L468 T472	N428-C470 HydrophobicContact CB-CB 4.01Å; C429-C470 CarbonylContact O-C 3.6Å; K430-C470 WeakPolarHBondContact CA-O 3.48Å; L468-C470 VanDerWaalsContact C-N 3.27Å; L468-C470 PolarHBondContact O-N 3.23Å; L468-C470 VanDerWaalsContact O-N 3.15Å; C470-T472 PolarHBondContact O-N 3.29Å
471	L	92	Very high	86.2	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	28%	0.275	C	S	.	.			trans	-79.1	96	-171.6	-174.1	71.7	0	0	0	110.5	L407 C429 I432 L451 L463 L468 V474	L407-L471 HydrophobicContact CD1-CD2 4.17Å; C429-L471 WeakPolarHBondContact O-CA 3.27Å; C429-L471 PolarHBondContact O-N 3.35Å; I432-L471 HydrophobicContact CB-CD1 4.3Å; I432-L471 HydrophobicContact CG2-CD1 4.12Å; I432-L471 HydrophobicContact CG2-CD2 4.49Å; L451-L471 HydrophobicContact CD1-CD2 3.54Å; L451-L471 HydrophobicContact CD2-CD2 4.24Å; L463-L471 HydrophobicContact CD2-CD2 4.48Å; L468-L471 HydrophobicContact CB-CB 4.04Å; L468-L471 HydrophobicContact CB-CD2 4.49Å; L468-L471 HydrophobicContact CD1-CD2 4.33Å; L468-L471 PolarHBondContact O-N 3.31Å; L471-V474 HydrophobicContact CD2-CG2 4.29Å; L471-V474 HydrophobicContact CG-CG2 4.46Å
472	T	93.2	Very high	85.6	Confident	30 Å²	30	50.1 Å²	50.1	18%	0.184	29%	0.289	C	S	.	.			trans	-101.9	-24.4	-177.1	40.8	0	0	0	0	112.5	K430 G461 D462 L463 C470	K430-T472 VanDerWaalsContact CG-OG1 3.25Å; K430-T472 WeakPolarHBondContact CG-OG1 3.4Å; K430-T472 PolarHBondContact O-N 3Å; K430-T472 PolarHBondContact O-OG1 3.45Å; G461-T472 CarbonylContact C-O 3.58Å; G461-T472 VanDerWaalsContact C-O 3.23Å; G461-T472 VanDerWaalsContact CA-O 3.3Å; G461-T472 WeakPolarHBondContact CA-O 3.46Å; G461-T472 WeakPolarHBondContact O-CB 3.46Å; D462-T472 PolarHBondContact N-O 2.88Å; L463-T472 WeakPolarHBondContact CB-O 3.42Å; L463-T472 PolarHBondContact N-O 2.97Å; C470-T472 PolarHBondContact O-N 3.29Å
473	H	93.7	Very high	85.4	Confident	14 Å²	14	47.5 Å²	47.5	7%	0.065	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	122.7	-174.2	-62.6	66.1	0	0	0	111.1	L361 K430 A431 I432 G461 F487	L361-H473 HydrophobicContact CD2-CB 4.4Å; K430-H473 PolarHBondContact O-CE1 2.91Å; K430-H473 PolarHBondContact O-N 3.44Å; A431-H473 VanDerWaalsContact CA-O 3.27Å; A431-H473 WeakPolarHBondContact CA-O 3.14Å; A431-H473 HydrophobicContact CB-CB 3.81Å; I432-H473 PolarHBondContact N-O 2.95Å; G461-H473 PolarHBondContact O-NE2 2.98Å; H473-F487 AromaticContact CD2-CE2 3.8Å
474	V	92.6	Very high	85.2	Confident	2 Å²	2	55.2 Å²	55.2	1%	0.012	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	122.8	170.1	178.3	0	0	0	0	107.9	I432 L454 L463 L471 I476 A486 F487	I432-V474 HydrophobicContact CG2-CB 4.3Å; I432-V474 HydrophobicContact CG2-CG1 4.11Å; I432-V474 HydrophobicContact CG2-CG2 3.93Å; L454-V474 HydrophobicContact CD2-CB 4.27Å; L454-V474 HydrophobicContact CD2-CG1 4.45Å; L454-V474 HydrophobicContact CD2-CG2 4.02Å; L463-V474 HydrophobicContact CD2-CG2 3.74Å; L471-V474 HydrophobicContact CD2-CG2 4.29Å; L471-V474 HydrophobicContact CG-CG2 4.46Å; V474-I476 HydrophobicContact CG1-CG1 4.27Å; V474-A486 HydrophobicContact CB-CB 4.46Å; V474-A486 HydrophobicContact CG1-CB 4.3Å; V474-A486 CarbonylContact O-C 3.55Å; V474-A486 VanDerWaalsContact O-CA 3.28Å; V474-A486 WeakPolarHBondContact O-CA 3.15Å; V474-F487 PolarHBondContact O-N 3.04Å
475	I	93.4	Very high	85.2	Confident	1 Å²	1	48.5 Å²	48.5	1%	0.005	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	129.5	-176	-56.3	162.6	0	0	0	107.3	L356 I359 I432 V433 C434 F487 F489 V492	L356-I475 HydrophobicContact CD2-CD1 3.53Å; I359-I475 HydrophobicContact CD1-CD1 3.86Å; I359-I475 HydrophobicContact CD1-CG1 4.4Å; I432-I475 PolarHBondContact O-N 2.89Å; V433-I475 WeakPolarHBondContact CA-O 3.34Å; V433-I475 HydrophobicContact CG1-CB 4.32Å; V433-I475 HydrophobicContact CG1-CG2 4.15Å; V433-I475 HydrophobicContact CG2-CB 4.33Å; V433-I475 HydrophobicContact CG2-CD1 4.08Å; C434-I475 PolarHBondContact N-O 3.44Å; I475-F487 WeakPolarHBondContact CA-O 3.42Å; I475-F487 HydrophobicContact CG1-CB 4.22Å; I475-F487 HydrophobicContact CG1-CD2 4.25Å; I475-F489 HydrophobicContact CG2-CD2 4.48Å; I475-V492 HydrophobicContact CD1-CG2 4.27Å; I475-V492 HydrophobicContact CG1-CG2 4.22Å; I475-V492 HydrophobicContact CG2-CG2 4Å
476	I	90.5	Very high	85.5	Confident	8 Å²	8	48.3 Å²	48.3	4%	0.041	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	125.1	-177.1	-49.8	-179.7	0	0	0	109.7	C434 L447 V474 S478 F483 A486 F487 S488 F489	C434-I476 HydrophobicContact CB-CG1 4.39Å; L447-I476 HydrophobicContact CD1-CD1 3.95Å; L447-I476 HydrophobicContact CD1-CG1 4.44Å; V474-I476 HydrophobicContact CG1-CG1 4.27Å; I476-S478 PolarHBondContact O-N 2.83Å; I476-F483 HydrophobicContact CD1-CD2 4.04Å; I476-F483 HydrophobicContact CD1-CE2 4.48Å; I476-A486 HydrophobicContact CD1-CB 4.07Å; I476-A486 HydrophobicContact CG1-CB 4.3Å; I476-F487 PolarHBondContact N-O 2.95Å; I476-S488 WeakPolarHBondContact O-CA 3.23Å; I476-F489 PolarHBondContact O-N 2.85Å
477	A	89.3	Confident	85.9	Confident	20 Å²	20	43.7 Å²	43.7	17%	0.165	25%	0.246	C	C	.	.			trans	-81.9	70.3	172.9	0	0	0	0	0	110.4	C434 F435 P436 F489	C434-A477 PolarHBondContact O-N 3.41Å; F435-A477 HydrophobicContact CD1-CB 3.57Å; F435-A477 HydrophobicContact CE1-CB 4.02Å; F435-A477 HydrophobicContact CG-CB 4.47Å; P436-A477 WeakPolarHBondContact CD-O 3.35Å; P436-A477 VanDerWaalsContact CG-O 3.26Å; P436-A477 WeakPolarHBondContact CG-O 3.08Å; A477-F489 HydrophobicContact CB-CB 3.9Å; A477-F489 HydrophobicContact CB-CD2 4.32Å; A477-F489 HydrophobicContact CB-CG 4.16Å
478	S	82.3	Confident	86.5	Confident	38 Å²	38	41.2 Å²	41.2	27%	0.266	23%	0.232	S	C	.	.			trans	-148.4	131.6	-177.8	171	0	0	0	0	110	I476 V480	I476-S478 PolarHBondContact O-N 2.83Å; S478-V480 PolarHBondContact O-N 2.97Å; S478-V480 PolarHBondContact OG-N 2.86Å; S478-V480 VanDerWaalsContact OG-N 3.15Å; S478-V480 PolarHBondContact OG-O 3.3Å
479	D	72.3	Confident	86.8	Confident	159 Å²	159	42 Å²	42	85%	0.85	24%	0.235	S	C	*	.	S	Bend	trans	-56.4	-29.6	171.5	-47.9	-17.5	0	0	0	111.7
480	V	73.4	Confident	87.1	Confident	99 Å²	99	42.8 Å²	42.8	60%	0.6	24%	0.235	S	C	*	.	S	Bend	trans	-97.3	104.7	177.6	-176.6	0	0	0	0	109.4	S478 V482	S478-V480 PolarHBondContact O-N 2.97Å; S478-V480 PolarHBondContact OG-N 2.86Å; S478-V480 VanDerWaalsContact OG-N 3.15Å; S478-V480 PolarHBondContact OG-O 3.3Å; V480-V482 HydrophobicContact CG1-CG2 4.26Å
481	I	70.5	Confident	87.2	Confident	76 Å²	76	44 Å²	44	39%	0.39	24%	0.236	S	C	.	.			trans	-85	111.6	171.7	-48.6	176.1	0	0	0	109	F483	I481-F483 WeakPolarHBondContact CG2-O 3.42Å
482	V	78	Confident	87.3	Confident	75 Å²	75	44 Å²	44	46%	0.455	24%	0.236	S	C	.	.			trans	-85.9	-30.9	179.3	-177.8	0	0	0	0	112.5	D444 V480	D444-V482 HydrophobicContact CB-CB 4.04Å; D444-V482 HydrophobicContact CB-CG1 4.23Å; D444-V482 HydrophobicContact CB-CG2 3.78Å; V480-V482 HydrophobicContact CG1-CG2 4.26Å
483	F	85.2	Confident	87.3	Confident	14 Å²	14	44.1 Å²	44.1	6%	0.061	23%	0.234	C	C	.	.			trans	-112.2	129.2	-174.4	-52.1	-61.5	0	0	0	112.1	D444 L447 A448 L454 I476 I481 C485 A486	D444-F483 HydrophobicContact CB-CE2 4.14Å; D444-F483 HydrophobicContact CB-CZ 4.19Å; D444-F483 VanDerWaalsContact O-CZ 3.31Å; D444-F483 WeakPolarHBondContact O-CZ 3.31Å; L447-F483 HydrophobicContact CB-CE2 4.03Å; L447-F483 HydrophobicContact CD1-CE2 4.47Å; A448-F483 HydrophobicContact CB-CE1 4.22Å; A448-F483 HydrophobicContact CB-CZ 3.98Å; L454-F483 HydrophobicContact CB-CB 4.36Å; L454-F483 HydrophobicContact CB-CD1 3.81Å; L454-F483 HydrophobicContact CB-CD2 4.23Å; L454-F483 HydrophobicContact CB-CE1 4.15Å; L454-F483 HydrophobicContact CB-CG 3.86Å; L454-F483 HydrophobicContact CD1-CD2 4.2Å; L454-F483 HydrophobicContact CD1-CE2 4.23Å; L454-F483 WeakPolarHBondContact O-CD1 3.42Å; I476-F483 HydrophobicContact CD1-CD2 4.04Å; I476-F483 HydrophobicContact CD1-CE2 4.48Å; I481-F483 WeakPolarHBondContact CG2-O 3.42Å; F483-C485 VanDerWaalsContact C-N 3.32Å; F483-C485 PolarHBondContact O-N 2.98Å; F483-A486 HydrophobicContact CB-CB 4.01Å; F483-A486 PolarHBondContact O-N 3.43Å; F483-A486 VanDerWaalsContact O-N 3.12Å
484	K	86.2	Confident	87.2	Confident	164 Å²	164	47.3 Å²	47.3	71%	0.713	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-32.1	-177.2	-69	-177.2	178.9	179.2	0	113.6	K460 A486	K460-K484 WeakPolarHBondContact CE-O 3.45Å; K460-K484 VanDerWaalsContact CG-O 3.3Å; K460-K484 WeakPolarHBondContact CG-O 3.2Å; K484-A486 VanDerWaalsContact C-N 3.32Å
485	C	88	Confident	87	Confident	3 Å²	3	48.9 Å²	48.9	2%	0.02	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-4.8	174.9	53.3	0	0	0	0	114.4	L454 S457 S459 K460 F483	L454-C485 PolarHBondContact O-SG 3.4Å; S457-C485 WeakPolarHBondContact O-CB 3.35Å; S457-C485 PolarHBondContact O-SG 3.19Å; S459-C485 WeakPolarHBondContact O-CB 3.09Å; K460-C485 WeakPolarHBondContact CA-O 3.4Å; F483-C485 VanDerWaalsContact C-N 3.32Å; F483-C485 PolarHBondContact O-N 2.98Å
486	A	91.4	Very high	85.6	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.303	C	S	.	.	S	Bend	trans	-89.3	144.2	172.4	0	0	0	0	0	111.1	K460 V474 I476 F483 K484	K460-A486 WeakPolarHBondContact CD-O 3.48Å; K460-A486 WeakPolarHBondContact CE-O 3.18Å; K460-A486 PolarHBondContact NZ-O 3Å; V474-A486 HydrophobicContact CB-CB 4.46Å; V474-A486 HydrophobicContact CG1-CB 4.3Å; V474-A486 CarbonylContact O-C 3.55Å; V474-A486 VanDerWaalsContact O-CA 3.28Å; V474-A486 WeakPolarHBondContact O-CA 3.15Å; I476-A486 HydrophobicContact CD1-CB 4.07Å; I476-A486 HydrophobicContact CG1-CB 4.3Å; F483-A486 HydrophobicContact CB-CB 4.01Å; F483-A486 PolarHBondContact O-N 3.43Å; F483-A486 VanDerWaalsContact O-N 3.12Å; K484-A486 VanDerWaalsContact C-N 3.32Å
487	F	92.6	Very high	84.5	Confident	17 Å²	17	58.3 Å²	58.3	8%	0.075	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	148.5	165.5	-58	-90.7	0	0	0	109.9	I359 K460 H473 V474 I475 I476 E491 V492	I359-F487 HydrophobicContact CB-CE1 3.94Å; I359-F487 HydrophobicContact CB-CE2 4.31Å; I359-F487 HydrophobicContact CB-CZ 3.74Å; I359-F487 HydrophobicContact CD1-CD2 4.2Å; I359-F487 HydrophobicContact CD1-CE2 4.1Å; I359-F487 HydrophobicContact CD1-CZ 4.37Å; I359-F487 HydrophobicContact CG2-CD1 3.99Å; I359-F487 HydrophobicContact CG2-CE1 3.57Å; I359-F487 HydrophobicContact CG2-CZ 3.93Å; K460-F487 HydrophobicContact CB-CD1 4.14Å; K460-F487 HydrophobicContact CB-CD2 4.26Å; K460-F487 HydrophobicContact CB-CE1 3.66Å; K460-F487 HydrophobicContact CB-CE2 3.8Å; K460-F487 HydrophobicContact CB-CG 4.42Å; K460-F487 HydrophobicContact CB-CZ 3.48Å; K460-F487 VanDerWaalsContact CB-CZ 3.48Å; K460-F487 HydrophobicContact CD-CD1 3.69Å; K460-F487 HydrophobicContact CD-CE1 3.93Å; K460-F487 HydrophobicContact CD-CG 4.13Å; K460-F487 HydrophobicContact CG-CE1 4.44Å; H473-F487 AromaticContact CD2-CE2 3.8Å; V474-F487 PolarHBondContact O-N 3.04Å; I475-F487 WeakPolarHBondContact CA-O 3.42Å; I475-F487 HydrophobicContact CG1-CB 4.22Å; I475-F487 HydrophobicContact CG1-CD2 4.25Å; I476-F487 PolarHBondContact N-O 2.95Å; F487-E491 VanDerWaalsContact CA-OE2 3.24Å; F487-E491 WeakPolarHBondContact CA-OE2 3.21Å; F487-E491 HydrophobicContact CD1-CG 4.36Å; F487-V492 HydrophobicContact CB-CG2 3.72Å; F487-V492 HydrophobicContact CD1-CG2 4.48Å; F487-V492 HydrophobicContact CG-CG2 4.17Å
488	S	91.8	Very high	83.3	Confident	20 Å²	20	61.6 Å²	61.6	14%	0.14	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	153.7	159.1	64.4	0	0	0	0	110.4	I476 D490 E491 V492	I476-S488 WeakPolarHBondContact O-CA 3.23Å; S488-D490 PolarHBondContact O-N 3.45Å; S488-E491 PolarHBondContact N-OE2 3.37Å; S488-E491 WeakPolarHBondContact O-CB 3.42Å; S488-E491 PolarHBondContact O-N 3.36Å; S488-E491 VanDerWaalsContact OG-CB 3.28Å; S488-E491 WeakPolarHBondContact OG-CB 3.2Å; S488-E491 PolarHBondContact OG-N 2.89Å; S488-E491 VanDerWaalsContact OG-N 3.08Å; S488-V492 WeakPolarHBondContact O-CG2 3.25Å; S488-V492 PolarHBondContact O-N 3.18Å
489	F	91.9	Very high	82.7	Confident	19 Å²	19	64.4 Å²	64.4	8%	0.083	34%	0.341	C	S	.	.	H	α-helix	trans	-57.4	-37.5	173.3	-168.8	-95.6	0	0	0	112	L352 E376 L379 A380 V433 F435 I475 I476 A477 V492 F493	L352-F489 HydrophobicContact CD1-CE2 4.24Å; L352-F489 HydrophobicContact CD1-CZ 4.21Å; L352-F489 HydrophobicContact CD2-CE1 4.34Å; L352-F489 HydrophobicContact CD2-CE2 3.79Å; L352-F489 HydrophobicContact CD2-CZ 3.46Å; L352-F489 VanDerWaalsContact CD2-CZ 3.46Å; E376-F489 HydrophobicContact CB-CE1 4.29Å; E376-F489 HydrophobicContact CB-CZ 4.14Å; L379-F489 HydrophobicContact CD2-CE1 4.15Å; L379-F489 HydrophobicContact CD2-CZ 4.16Å; A380-F489 HydrophobicContact CB-CE2 4.25Å; V433-F489 HydrophobicContact CG1-CD2 3.99Å; V433-F489 HydrophobicContact CG1-CE2 4.2Å; F435-F489 HydrophobicContact CE1-CD2 4.12Å; F435-F489 AromaticContact CE1-CE2 3.74Å; F435-F489 HydrophobicContact CE1-CE2 3.74Å; F435-F489 HydrophobicContact CE1-CZ 4.35Å; F435-F489 HydrophobicContact CZ-CE2 4.07Å; I475-F489 HydrophobicContact CG2-CD2 4.48Å; I476-F489 PolarHBondContact O-N 2.85Å; A477-F489 HydrophobicContact CB-CB 3.9Å; A477-F489 HydrophobicContact CB-CD2 4.32Å; A477-F489 HydrophobicContact CB-CG 4.16Å; F489-V492 PolarHBondContact O-N 3.02Å; F489-F493 WeakPolarHBondContact O-CB 3.34Å; F489-F493 PolarHBondContact O-N 3.23Å
490	D	91.4	Very high	82.3	Confident	94 Å²	94	63.1 Å²	63.1	50%	0.503	33%	0.327	S	S	.	.	H	α-helix	trans	-67.8	-36.1	175.3	-77.7	-14	0	0	0	113.7	S488 V492 F493 N494	S488-D490 PolarHBondContact O-N 3.45Å; D490-V492 VanDerWaalsContact C-N 3.32Å; D490-F493 PolarHBondContact O-N 2.81Å; D490-N494 VanDerWaalsContact O-CB 3.3Å; D490-N494 WeakPolarHBondContact O-CB 3.44Å; D490-N494 PolarHBondContact O-N 3.35Å; D490-N494 PolarHBondContact O-ND2 3.38Å
491	E	92.5	Very high	82.6	Confident	71 Å²	71	61.5 Å²	61.5	33%	0.332	32%	0.32	S	S	.	.	H	α-helix	trans	-63.2	-41.2	174.8	176.7	179.6	-150.4	0	0	110.9	K460 F487 S488 S495	K460-E491 IonicContact NZ-OE1 2.68Å; K460-E491 PolarHBondContact NZ-OE1 3.13Å; K460-E491 IonicContact NZ-OE2 2.64Å; K460-E491 PolarHBondContact NZ-OE2 3.37Å; F487-E491 VanDerWaalsContact CA-OE2 3.24Å; F487-E491 WeakPolarHBondContact CA-OE2 3.21Å; F487-E491 HydrophobicContact CD1-CG 4.36Å; S488-E491 PolarHBondContact N-OE2 3.37Å; S488-E491 WeakPolarHBondContact O-CB 3.42Å; S488-E491 PolarHBondContact O-N 3.36Å; S488-E491 VanDerWaalsContact OG-CB 3.28Å; S488-E491 WeakPolarHBondContact OG-CB 3.2Å; S488-E491 PolarHBondContact OG-N 2.89Å; S488-E491 VanDerWaalsContact OG-N 3.08Å; E491-S495 PolarHBondContact O-N 2.91Å; E491-S495 VanDerWaalsContact O-N 3.13Å
492	V	94.2	Very high	83.5	Confident	0 Å²	0	58 Å²	58	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-69.2	-40.9	173.1	-174.4	0	0	0	0	111.2	L352 G355 L356 I359 I475 F487 S488 F489 D490 N494 S495	L352-V492 HydrophobicContact CD1-CG1 4.06Å; G355-V492 VanDerWaalsContact CA-O 3.27Å; G355-V492 WeakPolarHBondContact CA-O 3.49Å; L356-V492 HydrophobicContact CB-CG1 4.41Å; L356-V492 HydrophobicContact CD2-CG1 3.79Å; L356-V492 HydrophobicContact CG-CG1 3.79Å; I359-V492 HydrophobicContact CD1-CG1 4.14Å; I359-V492 HydrophobicContact CD1-CG2 3.9Å; I359-V492 HydrophobicContact CG2-CG2 4.4Å; I475-V492 HydrophobicContact CD1-CG2 4.27Å; I475-V492 HydrophobicContact CG1-CG2 4.22Å; I475-V492 HydrophobicContact CG2-CG2 4Å; F487-V492 HydrophobicContact CB-CG2 3.72Å; F487-V492 HydrophobicContact CD1-CG2 4.48Å; F487-V492 HydrophobicContact CG-CG2 4.17Å; S488-V492 WeakPolarHBondContact O-CG2 3.25Å; S488-V492 PolarHBondContact O-N 3.18Å; F489-V492 PolarHBondContact O-N 3.02Å; D490-V492 VanDerWaalsContact C-N 3.32Å; V492-N494 VanDerWaalsContact C-N 3.26Å; V492-N494 PolarHBondContact O-N 2.85Å; V492-S495 PolarHBondContact O-N 3.45Å; V492-S495 PolarHBondContact O-OG 3.13Å
493	F	93.2	Very high	83.8	Confident	32 Å²	32	57.1 Å²	57.1	14%	0.14	30%	0.299	C	S	.	.	H	α-helix	trans	-67.2	-26.4	177.8	-171.7	-103.3	0	0	0	113.2	M348 R351 L352 L379 F489 D490	M348-F493 HydrophobicContact CB-CE2 4.17Å; M348-F493 HydrophobicContact CB-CZ 4.33Å; M348-F493 HydrophobicContact CE-CZ 4.27Å; M348-F493 HydrophobicContact CG-CZ 4.24Å; R351-F493 HydrophobicContact CB-CE2 4.06Å; R351-F493 HydrophobicContact CB-CZ 4.4Å; R351-F493 HydrophobicContact CG-CD2 4.34Å; R351-F493 HydrophobicContact CG-CE2 4.16Å; R351-F493 HydrophobicContact CG-CZ 4.3Å; R351-F493 WeakPolarHBondContact CG-O 3.23Å; R351-F493 PolarHBondContact NE-O 3.03Å; L352-F493 HydrophobicContact CB-CD2 4.07Å; L352-F493 HydrophobicContact CD1-CB 4.5Å; L352-F493 HydrophobicContact CD1-CD2 4.47Å; L379-F493 HydrophobicContact CD2-CE2 4.22Å; F489-F493 WeakPolarHBondContact O-CB 3.34Å; F489-F493 PolarHBondContact O-N 3.23Å; D490-F493 PolarHBondContact O-N 2.81Å
494	N	91.6	Very high	84	Confident	82 Å²	82	62.1 Å²	62.1	44%	0.439	32%	0.323	S	S	.	.	H	α-helix	trans	-101.1	0.7	-178.9	-68.8	-77.6	0	0	0	114.6	R351 D490 V492 N496	R351-N494 PolarHBondContact NH2-OD1 3.03Å; D490-N494 VanDerWaalsContact O-CB 3.3Å; D490-N494 WeakPolarHBondContact O-CB 3.44Å; D490-N494 PolarHBondContact O-N 3.35Å; D490-N494 PolarHBondContact O-ND2 3.38Å; V492-N494 VanDerWaalsContact C-N 3.26Å; V492-N494 PolarHBondContact O-N 2.85Å; N494-N496 PolarHBondContact O-N 2.95Å; N494-N496 VanDerWaalsContact O-N 3.12Å
495	S	87.4	Confident	84.2	Confident	34 Å²	34	55.9 Å²	55.9	24%	0.238	30%	0.297	C	S	.	.			trans	-70.8	107.7	176.9	56.5	0	0	0	0	111.5	G355 E491 V492 S497	G355-S495 WeakPolarHBondContact CA-OG 3.41Å; G355-S495 PolarHBondContact O-OG 3.16Å; E491-S495 PolarHBondContact O-N 2.91Å; E491-S495 VanDerWaalsContact O-N 3.13Å; V492-S495 PolarHBondContact O-N 3.45Å; V492-S495 PolarHBondContact O-OG 3.13Å; S495-S497 PolarHBondContact O-N 2.84Å; S495-S497 PolarHBondContact O-OG 2.96Å
496	N	65.2	Low	84.2	Confident	160 Å²	160	55.9 Å²	55.9	86%	0.856	30%	0.297	S	S	*	.			trans	-63.5	116.1	-176.4	-93.3	-12.1	0	0	0	111.9	N494	N494-N496 PolarHBondContact O-N 2.95Å; N494-N496 VanDerWaalsContact O-N 3.12Å
497	S	65.7	Low	84	Confident	47 Å²	47	60 Å²	60	33%	0.329	33%	0.325	S	S	.	.			trans	-142.6	150.3	174.6	43.4	0	0	0	0	109.4	A354 S495 Q499	A354-S497 VanDerWaalsContact CB-OG 3.28Å; A354-S497 WeakPolarHBondContact CB-OG 3.39Å; A354-S497 PolarHBondContact O-OG 2.78Å; A354-S497 VanDerWaalsContact O-OG 3.06Å; S495-S497 PolarHBondContact O-N 2.84Å; S495-S497 PolarHBondContact O-OG 2.96Å; S497-Q499 PolarHBondContact O-N 2.78Å
498	D	64.7	Low	84	Confident	90 Å²	90	66.2 Å²	66.2	48%	0.481	36%	0.355	S	S	.	.			trans	-76.6	107.8	-174.6	-163.8	-12.3	0	0	0	110.6	K500 C501	D498-K500 PolarHBondContact O-N 2.81Å; D498-K500 VanDerWaalsContact OD1-CG 3.3Å; D498-K500 WeakPolarHBondContact OD1-CG 3.3Å; D498-K500 PolarHBondContact OD1-N 3.35Å; D498-K500 IonicContact OD1-NZ 2.98Å; D498-K500 PolarHBondContact OD1-NZ 2.85Å; D498-K500 IonicContact OD2-NZ 2.73Å; D498-K500 PolarHBondContact OD2-NZ 3.32Å; D498-C501 PolarHBondContact O-N 3.09Å
499	Q	69.5	Low	84.1	Confident	97 Å²	97	66.2 Å²	66.2	45%	0.453	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-17.1	-177.2	-69.6	-175.5	-38.9	0	0	113.7	A354 S497 C501 L502	A354-Q499 HydrophobicContact CB-CG 4.26Å; S497-Q499 PolarHBondContact O-N 2.78Å; Q499-C501 PolarHBondContact O-N 3.01Å; Q499-L502 WeakPolarHBondContact O-CB 3.43Å; Q499-L502 PolarHBondContact O-N 2.87Å
500	K	63.6	Low	84.2	Confident	131 Å²	131	69.2 Å²	69.2	57%	0.57	37%	0.37	S	S	*	.	H	α-helix	trans	-54.1	-37	175.1	-65	-179	-154.7	79.9	0	112.8	D498 L502 S503	D498-K500 PolarHBondContact O-N 2.81Å; D498-K500 VanDerWaalsContact OD1-CG 3.3Å; D498-K500 WeakPolarHBondContact OD1-CG 3.3Å; D498-K500 PolarHBondContact OD1-N 3.35Å; D498-K500 IonicContact OD1-NZ 2.98Å; D498-K500 PolarHBondContact OD1-NZ 2.85Å; D498-K500 IonicContact OD2-NZ 2.73Å; D498-K500 PolarHBondContact OD2-NZ 3.32Å; K500-L502 PolarHBondContact O-N 2.8Å; K500-S503 PolarHBondContact O-N 2.81Å; K500-S503 PolarHBondContact O-OG 3.18Å
501	C	79.8	Confident	84.4	Confident	65 Å²	65	65.3 Å²	65.3	44%	0.439	35%	0.35	S	S	.	.	H	α-helix	trans	-64.8	-23	-179.7	-60	0	0	0	0	112.8	D498 Q499 E504 I505	D498-C501 PolarHBondContact O-N 3.09Å; Q499-C501 PolarHBondContact O-N 3.01Å; C501-E504 PolarHBondContact O-N 2.8Å; C501-I505 WeakPolarHBondContact O-CB 3.33Å; C501-I505 VanDerWaalsContact O-CG1 3.28Å; C501-I505 WeakPolarHBondContact O-CG1 3.45Å; C501-I505 PolarHBondContact O-N 3.09Å
502	L	89.7	Confident	84.5	Confident	3 Å²	3	65.7 Å²	65.7	2%	0.016	36%	0.361	C	S	.	.	H	α-helix	trans	-68.8	-41	179	-76.1	171.7	0	0	0	113	D350 A353 A354 L357 Q499 K500 E504 I505 D506	D350-L502 HydrophobicContact CB-CD1 4.04Å; D350-L502 WeakPolarHBondContact O-CD1 3.33Å; A353-L502 HydrophobicContact CB-CD1 3.99Å; A353-L502 HydrophobicContact CB-CD2 3.75Å; A354-L502 HydrophobicContact CB-CD1 3.89Å; A354-L502 HydrophobicContact CB-CG 4.46Å; L357-L502 HydrophobicContact CD1-CD2 3.59Å; L357-L502 HydrophobicContact CD1-CG 4.5Å; Q499-L502 WeakPolarHBondContact O-CB 3.43Å; Q499-L502 PolarHBondContact O-N 2.87Å; K500-L502 PolarHBondContact O-N 2.8Å; L502-E504 PolarHBondContact O-N 3.49Å; L502-I505 PolarHBondContact O-N 3.15Å; L502-D506 VanDerWaalsContact O-CB 3.29Å; L502-D506 WeakPolarHBondContact O-CB 3.17Å; L502-D506 PolarHBondContact O-N 2.81Å
503	S	85.5	Confident	84.6	Confident	57 Å²	57	67.7 Å²	67.7	40%	0.399	37%	0.371	S	S	.	.	H	α-helix	trans	-64.6	-32.3	175.5	32.3	0	0	0	0	112.2	K500 S507	K500-S503 PolarHBondContact O-N 2.81Å; K500-S503 PolarHBondContact O-OG 3.18Å; S503-S507 WeakPolarHBondContact O-CB 3.4Å; S503-S507 PolarHBondContact O-N 3.36Å; S503-S507 PolarHBondContact O-OG 2.86Å
504	E	88.6	Confident	84.6	Confident	119 Å²	119	67.6 Å²	67.6	56%	0.556	37%	0.372	S	S	*	.	H	α-helix	trans	-71.5	-44	175.1	-63.7	-178.6	171.5	0	0	111.2	C501 L502 S507 Q508	C501-E504 PolarHBondContact O-N 2.8Å; L502-E504 PolarHBondContact O-N 3.49Å; E504-S507 PolarHBondContact O-OG 2.86Å; E504-Q508 WeakPolarHBondContact O-CG 3.42Å; E504-Q508 PolarHBondContact O-NE2 3.07Å; E504-Q508 VanDerWaalsContact O-NE2 3.12Å
505	I	90.6	Very high	84.9	Confident	33 Å²	33	63.7 Å²	63.7	17%	0.169	35%	0.351	C	S	.	.	H	α-helix	trans	-61.3	-50.9	174.7	-73.3	166	0	0	0	111.1	L357 P363 C501 L502 S507 Q508 I509	L357-I505 HydrophobicContact CD1-CD1 3.57Å; L357-I505 HydrophobicContact CD2-CD1 4.34Å; P363-I505 HydrophobicContact CB-CG2 4.42Å; P363-I505 HydrophobicContact CG-CD1 4.35Å; P363-I505 HydrophobicContact CG-CG1 4.33Å; P363-I505 HydrophobicContact CG-CG2 3.68Å; C501-I505 WeakPolarHBondContact O-CB 3.33Å; C501-I505 VanDerWaalsContact O-CG1 3.28Å; C501-I505 WeakPolarHBondContact O-CG1 3.45Å; C501-I505 PolarHBondContact O-N 3.09Å; L502-I505 PolarHBondContact O-N 3.15Å; I505-S507 VanDerWaalsContact C-N 3.29Å; I505-S507 PolarHBondContact O-N 2.85Å; I505-Q508 WeakPolarHBondContact O-CB 3.32Å; I505-Q508 PolarHBondContact O-N 3.3Å; I505-I509 PolarHBondContact O-N 2.66Å
506	D	88.3	Confident	85.3	Confident	2 Å²	2	62 Å²	62	1%	0.011	34%	0.34	C	S	.	.	H	α-helix	trans	-59.7	-38.7	-178.3	179.9	74.6	0	0	0	112.2	S313 G315 H316 R386 L502 Q508 I509	S313-D506 PolarHBondContact OG-OD1 3.42Å; G315-D506 VanDerWaalsContact CA-OD1 3.27Å; G315-D506 WeakPolarHBondContact CA-OD1 3.18Å; H316-D506 WeakPolarHBondContact CA-OD2 3.45Å; H316-D506 VanDerWaalsContact CB-OD2 3.27Å; H316-D506 WeakPolarHBondContact CB-OD2 3.27Å; H316-D506 IonicContact CG-OD2 3.86Å; H316-D506 PolarHBondContact N-OD1 3.29Å; H316-D506 PolarHBondContact N-OD2 2.9Å; H316-D506 IonicContact ND1-OD2 2.98Å; H316-D506 PolarHBondContact ND1-OD2 3.03Å; R386-D506 IonicContact NH1-OD1 3.94Å; R386-D506 PolarHBondContact NH1-OD1 3.42Å; R386-D506 IonicContact NH1-OD2 3.18Å; R386-D506 PolarHBondContact NH1-OD2 3.33Å; L502-D506 VanDerWaalsContact O-CB 3.29Å; L502-D506 WeakPolarHBondContact O-CB 3.17Å; L502-D506 PolarHBondContact O-N 2.81Å; D506-Q508 PolarHBondContact O-N 3Å; D506-I509 PolarHBondContact O-N 3.02Å
507	S	87.7	Confident	86.6	Confident	87 Å²	87	54.4 Å²	54.4	61%	0.608	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-13.2	175.5	75.2	0	0	0	0	114.8	S503 E504 I505	S503-S507 WeakPolarHBondContact O-CB 3.4Å; S503-S507 PolarHBondContact O-N 3.36Å; S503-S507 PolarHBondContact O-OG 2.86Å; E504-S507 PolarHBondContact O-OG 2.86Å; I505-S507 VanDerWaalsContact C-N 3.29Å; I505-S507 PolarHBondContact O-N 2.85Å
508	Q	91.9	Very high	87.8	Confident	148 Å²	148	52.3 Å²	52.3	69%	0.692	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	-5.1	177.1	-66	170.7	47.3	0	0	113.3	E504 I505 D506 D510	E504-Q508 WeakPolarHBondContact O-CG 3.42Å; E504-Q508 PolarHBondContact O-NE2 3.07Å; E504-Q508 VanDerWaalsContact O-NE2 3.12Å; I505-Q508 WeakPolarHBondContact O-CB 3.32Å; I505-Q508 PolarHBondContact O-N 3.3Å; D506-Q508 PolarHBondContact O-N 3Å; Q508-D510 PolarHBondContact O-N 2.77Å
509	I	94.2	Very high	88.8	Confident	20 Å²	20	49.1 Å²	49.1	10%	0.103	27%	0.267	C	S	.	.			trans	-83.8	111.6	176.8	-55.4	168.2	0	0	0	109	I505 D506 H534	I505-I509 PolarHBondContact O-N 2.66Å; D506-I509 PolarHBondContact O-N 3.02Å; I509-H534 WeakPolarHBondContact CG2-NE2 3.36Å
510	D	94.1	Very high	89.3	Confident	81 Å²	81	44.8 Å²	44.8	43%	0.433	25%	0.247	S	C	.	.			trans	-76.1	152.6	175.2	-177	-110.1	0	0	0	112.1	Q508 S512 D513	Q508-D510 PolarHBondContact O-N 2.77Å; D510-S512 PolarHBondContact O-N 2.89Å; D510-S512 WeakPolarHBondContact OD1-CA 3.49Å; D510-S512 WeakPolarHBondContact OD1-CB 3.32Å; D510-S512 PolarHBondContact OD1-N 3.38Å; D510-S512 PolarHBondContact OD1-OG 2.95Å; D510-D513 WeakPolarHBondContact O-CB 3.31Å; D510-D513 PolarHBondContact O-N 2.93Å; D510-D513 VanDerWaalsContact O-N 3.14Å
511	S	95.5	Very high	89.5	Confident	12 Å²	12	43.1 Å²	43.1	8%	0.084	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-23.1	177.8	70	0	0	0	0	113.6	H534 Y535	S511-H534 PolarHBondContact O-N 2.93Å; S511-Y535 VanDerWaalsContact O-CB 3.24Å; S511-Y535 WeakPolarHBondContact O-CB 3.01Å; S511-Y535 PolarHBondContact O-N 3.14Å
512	S	94.3	Very high	88.5	Confident	80 Å²	80	45.5 Å²	45.5	56%	0.559	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-11.7	175	73.7	0	0	0	0	114.4	D510 S533	D510-S512 PolarHBondContact O-N 2.89Å; D510-S512 WeakPolarHBondContact OD1-CA 3.49Å; D510-S512 WeakPolarHBondContact OD1-CB 3.32Å; D510-S512 PolarHBondContact OD1-N 3.38Å; D510-S512 PolarHBondContact OD1-OG 2.95Å; S512-S533 WeakPolarHBondContact O-CB 3.48Å
513	D	94.9	Very high	86.2	Confident	41 Å²	41	47.6 Å²	47.6	22%	0.219	26%	0.264	C	S	.	.	S	Bend	trans	-62.6	152	173.9	-95.7	-50.2	0	0	0	111.9	K364 D510 A515 S533 H534	K364-D513 WeakPolarHBondContact CE-OD1 3.31Å; K364-D513 WeakPolarHBondContact CE-OD2 3.25Å; K364-D513 IonicContact NZ-OD1 2.63Å; K364-D513 PolarHBondContact NZ-OD1 3.02Å; K364-D513 IonicContact NZ-OD2 2.71Å; K364-D513 PolarHBondContact NZ-OD2 2.78Å; D510-D513 WeakPolarHBondContact O-CB 3.31Å; D510-D513 PolarHBondContact O-N 2.93Å; D510-D513 VanDerWaalsContact O-N 3.14Å; D513-A515 PolarHBondContact O-N 3.08Å; D513-S533 WeakPolarHBondContact O-CA 3.34Å; D513-S533 WeakPolarHBondContact O-CB 3.36Å; D513-H534 PolarHBondContact O-CD2 2.78Å; D513-H534 PolarHBondContact O-N 3.41Å
514	L	95	Very high	83.8	Confident	30 Å²	30	50.6 Å²	50.6	16%	0.157	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	112	-179.5	-174.7	69	0	0	0	110.1	V390 A516 I517 R531 L723	V390-L514 HydrophobicContact CG1-CD2 3.74Å; V390-L514 HydrophobicContact CG1-CG 3.81Å; V390-L514 HydrophobicContact CG2-CD2 4.32Å; V390-L514 HydrophobicContact CG2-CG 4.44Å; V390-L514 WeakPolarHBondContact CG2-O 3.41Å; L514-A516 WeakPolarHBondContact CD1-O 3.48Å; L514-I517 HydrophobicContact CD2-CD1 4.31Å; L514-I517 HydrophobicContact CD2-CG1 4.17Å; L514-R531 HydrophobicContact CD1-CB 3.68Å; L514-R531 HydrophobicContact CD1-CG 4.31Å; L514-L723 HydrophobicContact CD1-CD1 4.08Å
515	A	96.7	Very high	81.5	Confident	0 Å²	0	47 Å²	47	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	-40.6	178.2	0	0	0	0	0	112.2	I314 V390 F391 D513 L532 H534 L537	I314-A515 HydrophobicContact CD1-CB 3.92Å; V390-A515 WeakPolarHBondContact CA-O 3.4Å; F391-A515 WeakPolarHBondContact CD1-O 3.48Å; F391-A515 PolarHBondContact N-O 2.63Å; F391-A515 VanDerWaalsContact N-O 3.14Å; D513-A515 PolarHBondContact O-N 3.08Å; A515-L532 PolarHBondContact N-O 2.81Å; A515-H534 HydrophobicContact CB-CB 4.31Å; A515-H534 WeakPolarHBondContact CB-ND1 3.4Å; A515-L537 HydrophobicContact CB-CD1 4.03Å
516	A	95.9	Very high	79.8	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	156.8	-170.4	0	0	0	0	0	113.3	F391 L514 L518 L532 L537	F391-A516 HydrophobicContact CD1-CB 4.31Å; F391-A516 HydrophobicContact CD2-CB 4.03Å; F391-A516 HydrophobicContact CE1-CB 4.07Å; F391-A516 HydrophobicContact CE2-CB 3.78Å; F391-A516 HydrophobicContact CG-CB 4.3Å; F391-A516 HydrophobicContact CZ-CB 3.8Å; F391-A516 CarbonylContact O-C 3.4Å; F391-A516 WeakPolarHBondContact O-CA 3.45Å; F391-A516 WeakPolarHBondContact O-CB 3.18Å; L514-A516 WeakPolarHBondContact CD1-O 3.48Å; A516-L518 HydrophobicContact CB-CD1 4.31Å; A516-L518 HydrophobicContact CB-CD2 3.87Å; A516-L518 HydrophobicContact CB-CG 3.84Å; A516-L532 PolarHBondContact N-O 3.41Å; A516-L532 VanDerWaalsContact N-O 3.13Å; A516-L532 PolarHBondContact O-N 3.27Å; A516-L537 HydrophobicContact CB-CD1 4.03Å
517	I	93	Very high	78.9	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	107	162.8	-57.9	177	0	0	0	107.5	V390 F391 T392 I427 L514 P529 V530 Q726	V390-I517 HydrophobicContact CG1-CD1 4.33Å; V390-I517 HydrophobicContact CG1-CG1 3.96Å; F391-I517 PolarHBondContact O-N 2.73Å; T392-I517 WeakPolarHBondContact CA-O 3.26Å; T392-I517 WeakPolarHBondContact CG2-O 3.5Å; I427-I517 HydrophobicContact CD1-CG2 3.82Å; I427-I517 HydrophobicContact CG1-CD1 4.18Å; I427-I517 HydrophobicContact CG1-CG2 4.09Å; L514-I517 HydrophobicContact CD2-CD1 4.31Å; L514-I517 HydrophobicContact CD2-CG1 4.17Å; I517-P529 HydrophobicContact CG2-CB 3.59Å; I517-V530 CarbonylContact C-O 3.55Å; I517-V530 VanDerWaalsContact CA-O 3.28Å; I517-V530 WeakPolarHBondContact CA-O 3.38Å; I517-Q726 HydrophobicContact CD1-CG 4.38Å
518	L	91.5	Very high	78.5	Confident	2 Å²	2	50.7 Å²	50.7	1%	0.01	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	135.2	-171.3	-58.6	-176.8	0	0	0	111.6	F391 L393 A516 V530 L532 L537 M568 T663	F391-L518 HydrophobicContact CD2-CD2 4.49Å; F391-L518 HydrophobicContact CE2-CD2 4.21Å; L393-L518 HydrophobicContact CB-CD2 4.47Å; L393-L518 HydrophobicContact CD1-CD2 4.21Å; L393-L518 HydrophobicContact CG-CD2 4.02Å; A516-L518 HydrophobicContact CB-CD1 4.31Å; A516-L518 HydrophobicContact CB-CD2 3.87Å; A516-L518 HydrophobicContact CB-CG 3.84Å; L518-V530 PolarHBondContact N-O 2.98Å; L518-V530 WeakPolarHBondContact O-CB 3.36Å; L518-V530 WeakPolarHBondContact O-CG2 3.33Å; L518-V530 PolarHBondContact O-N 2.69Å; L518-L532 HydrophobicContact CB-CD1 4.23Å; L518-L532 HydrophobicContact CD1-CD1 3.64Å; L518-L532 HydrophobicContact CG-CD1 4.06Å; L518-L537 HydrophobicContact CD1-CD2 4.08Å; L518-M568 HydrophobicContact CD1-CE 3.64Å; L518-T663 HydrophobicContact CB-CG2 3.81Å
519	L	84.9	Confident	78.2	Confident	23 Å²	23	43.7 Å²	43.7	12%	0.12	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	125.5	-172.4	-59.3	177.8	0	0	0	112.2	L406 Q527	L406-L519 HydrophobicContact CD1-CD1 3.6Å; L406-L519 HydrophobicContact CD1-CD2 3.59Å; L406-L519 HydrophobicContact CD1-CG 4.05Å; L406-L519 HydrophobicContact CD2-CD1 3.91Å; L406-L519 HydrophobicContact CG-CD1 4.41Å; L519-Q527 HydrophobicContact CB-CB 4.2Å; L519-Q527 HydrophobicContact CD2-CB 4.36Å
520	T	80.6	Confident	78	Confident	6 Å²	6	42.8 Å²	42.8	4%	0.037	24%	0.239	C	C	.	.			trans	-60.5	138.9	170.3	54.5	0	0	0	0	111.2	R522 Q527 K528 V530 E664 Y725	T520-R522 PolarHBondContact O-N 3.48Å; T520-Q527 PolarHBondContact O-NE2 3.12Å; T520-K528 HydrophobicContact CG2-CB 4.03Å; T520-K528 PolarHBondContact N-O 3.35Å; T520-K528 WeakPolarHBondContact OG1-CA 3.09Å; T520-K528 WeakPolarHBondContact OG1-CB 3.36Å; T520-K528 PolarHBondContact OG1-N 3.19Å; T520-K528 PolarHBondContact OG1-O 3.46Å; T520-K528 VanDerWaalsContact OG1-O 3.13Å; T520-V530 HydrophobicContact CG2-CG2 3.66Å; T520-E664 WeakPolarHBondContact CG2-OE1 3.03Å; T520-Y725 HydrophobicContact CG2-CE1 4.46Å
521	S	67.2	Low	77.9	Confident	96 Å²	96	42.9 Å²	42.9	67%	0.671	23%	0.233	S	C	*	.			trans	-79.5	64.4	177.2	62.7	0	0	0	0	111.8
522	R	58.8	Low	77.9	Confident	116 Å²	116	42.3 Å²	42.3	44%	0.438	23%	0.229	S	C	.	.			trans	-71.3	139.9	171.9	-75.6	179.1	166.4	-133.3	-11.6	110.3	T520 D526	T520-R522 PolarHBondContact O-N 3.48Å; R522-D526 WeakPolarHBondContact CD-O 3.43Å
523	T	40.4	Very low	78	Confident	46 Å²	46	38.6 Å²	38.6	28%	0.282	20%	0.204	S	C	.	.	S	Bend	trans	-83.1	-32.8	-173.7	50.8	0	0	0	0	112.3	T848 K850	T523-T848 VanDerWaalsContact CA-OG1 3.28Å; T523-T848 WeakPolarHBondContact CA-OG1 3.38Å; T523-T848 WeakPolarHBondContact CB-OG1 3.44Å; T523-T848 WeakPolarHBondContact CG2-OG1 3.32Å; T523-T848 PolarHBondContact O-OG1 3.04Å; T523-K850 HydrophobicContact CG2-CB 3.9Å; T523-K850 HydrophobicContact CG2-CD 3.86Å; T523-K850 HydrophobicContact CG2-CG 3.89Å
524	H	34.9	Very low	78.1	Confident	120 Å²	120	36.9 Å²	36.9	56%	0.556	19%	0.194	S	C	*	.	S	Bend	trans	-151.8	160.4	164.6	-92.1	-87.7	0	0	0	109.1	L852	H524-L852 HydrophobicContact CB-CD2 4.47Å; H524-L852 VanDerWaalsContact CD2-CD1 3.45Å; H524-L852 WeakPolarHBondContact CD2-CD1 3.36Å
525	G	41.8	Very low	78.1	Confident	44 Å²	44	36.8 Å²	36.8	45%	0.454	19%	0.192	S	C	.	.	S	Bend	trans	79	159	-168.4	0	0	0	0	0	112.2	Q527	G525-Q527 PolarHBondContact O-N 3.49Å
526	D	53.5	Low	78.1	Confident	99 Å²	99	36.9 Å²	36.9	53%	0.529	19%	0.192	S	C	.	.			trans	-57.1	135.9	-168.1	-49.2	-24	0	0	0	112.3	R522 K528	R522-D526 WeakPolarHBondContact CD-O 3.43Å; D526-K528 PolarHBondContact O-N 2.95Å
527	Q	71	Confident	78.1	Confident	57 Å²	57	36.9 Å²	36.9	27%	0.266	19%	0.192	S	C	.	.			trans	-69.7	114.4	177.3	-63.6	-167.7	-100.2	0	0	109.1	L519 T520 G525	L519-Q527 HydrophobicContact CB-CB 4.2Å; L519-Q527 HydrophobicContact CD2-CB 4.36Å; T520-Q527 PolarHBondContact O-NE2 3.12Å; G525-Q527 PolarHBondContact O-N 3.49Å
528	K	79	Confident	78.3	Confident	43 Å²	43	36.9 Å²	36.9	19%	0.187	19%	0.192	C	C	.	.			trans	-63.6	132.5	176.4	-73.4	-165.9	177.6	-178.3	0	110.3	T520 D526 Y725 D732	T520-K528 HydrophobicContact CG2-CB 4.03Å; T520-K528 PolarHBondContact N-O 3.35Å; T520-K528 WeakPolarHBondContact OG1-CA 3.09Å; T520-K528 WeakPolarHBondContact OG1-CB 3.36Å; T520-K528 PolarHBondContact OG1-N 3.19Å; T520-K528 PolarHBondContact OG1-O 3.46Å; T520-K528 VanDerWaalsContact OG1-O 3.13Å; D526-K528 PolarHBondContact O-N 2.95Å; K528-Y725 HydrophobicContact CB-CD1 3.56Å; K528-Y725 HydrophobicContact CB-CE1 3.65Å; K528-Y725 HydrophobicContact CB-CG 4.3Å; K528-Y725 HydrophobicContact CD-CD1 3.82Å; K528-Y725 HydrophobicContact CD-CD2 4.07Å; K528-Y725 HydrophobicContact CD-CE1 3.47Å; K528-Y725 VanDerWaalsContact CD-CE1 3.47Å; K528-Y725 HydrophobicContact CD-CE2 3.82Å; K528-Y725 HydrophobicContact CD-CG 4.06Å; K528-Y725 VanDerWaalsContact CD-CZ 3.46Å; K528-Y725 HydrophobicContact CG-CD1 4.26Å; K528-Y725 HydrophobicContact CG-CE1 4.22Å; K528-D732 IonicContact NZ-OD1 3.84Å; K528-D732 PolarHBondContact NZ-OD1 2.95Å; K528-D732 VanDerWaalsContact NZ-OD1 3.09Å; K528-D732 IonicContact NZ-OD2 3.09Å; K528-D732 PolarHBondContact NZ-OD2 3.1Å
529	P	85.5	Confident	78.6	Confident	2 Å²	2	36.8 Å²	36.8	1%	0.013	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	97.1	-178.9	36.6	-42.2	0	0	0	112.6	I427 I517 R531 Y725 Q726 Y727	I427-P529 HydrophobicContact CD1-CB 4.01Å; I427-P529 HydrophobicContact CG1-CB 4.46Å; I517-P529 HydrophobicContact CG2-CB 3.59Å; P529-R531 PolarHBondContact O-N 3.47Å; P529-Y725 WeakPolarHBondContact O-CA 3.45Å; P529-Q726 HydrophobicContact CB-CB 3.95Å; P529-Q726 HydrophobicContact CG-CB 3.66Å; P529-Q726 PolarHBondContact O-N 3.44Å; P529-Q726 VanDerWaalsContact O-N 3.12Å; P529-Y727 HydrophobicContact CB-CE1 4.32Å; P529-Y727 HydrophobicContact CB-CE2 4.28Å; P529-Y727 WeakPolarHBondContact CB-OH 3.22Å; P529-Y727 VanDerWaalsContact CD-CE2 3.48Å; P529-Y727 HydrophobicContact CG-CD1 4.05Å; P529-Y727 HydrophobicContact CG-CD2 3.78Å; P529-Y727 HydrophobicContact CG-CE1 3.7Å; P529-Y727 HydrophobicContact CG-CE2 3.44Å; P529-Y727 VanDerWaalsContact CG-CE2 3.44Å; P529-Y727 HydrophobicContact CG-CG 4.03Å
530	V	89.6	Confident	79.1	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	121.2	-179.3	-170.7	0	0	0	0	110.8	I517 L518 T520 L532 T663 E664 F722 Y725	I517-V530 CarbonylContact C-O 3.55Å; I517-V530 VanDerWaalsContact CA-O 3.28Å; I517-V530 WeakPolarHBondContact CA-O 3.38Å; L518-V530 PolarHBondContact N-O 2.98Å; L518-V530 WeakPolarHBondContact O-CB 3.36Å; L518-V530 WeakPolarHBondContact O-CG2 3.33Å; L518-V530 PolarHBondContact O-N 2.69Å; T520-V530 HydrophobicContact CG2-CG2 3.66Å; V530-L532 HydrophobicContact CG1-CD1 4.18Å; V530-L532 HydrophobicContact CG1-CD2 3.86Å; V530-L532 HydrophobicContact CG1-CG 3.79Å; V530-T663 HydrophobicContact CB-CG2 4.05Å; V530-T663 HydrophobicContact CG2-CG2 3.66Å; V530-E664 HydrophobicContact CG2-CG 4.03Å; V530-F722 HydrophobicContact CG1-CE2 4.03Å; V530-Y725 HydrophobicContact CG2-CD1 4.21Å; V530-Y725 HydrophobicContact CG2-CE1 4.09Å
531	R	92.8	Very high	79.8	Confident	83 Å²	83	35.4 Å²	35.4	31%	0.313	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	127.2	171.2	-64.2	173.5	71.9	-152.3	8.6	109.7	L514 P529 L723 G724 Q726	L514-R531 HydrophobicContact CD1-CB 3.68Å; L514-R531 HydrophobicContact CD1-CG 4.31Å; P529-R531 PolarHBondContact O-N 3.47Å; R531-L723 HydrophobicContact CB-CB 3.74Å; R531-L723 PolarHBondContact NH1-O 3.42Å; R531-G724 WeakPolarHBondContact CB-O 3.22Å; R531-G724 PolarHBondContact N-O 3.39Å; R531-Q726 HydrophobicContact CG-CB 4.28Å
532	L	94.7	Very high	81.2	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	129.8	-177.3	-65.1	166.2	0	0	0	111.7	A515 A516 L518 V530 Q536 L537	A515-L532 PolarHBondContact N-O 2.81Å; A516-L532 PolarHBondContact N-O 3.41Å; A516-L532 VanDerWaalsContact N-O 3.13Å; A516-L532 PolarHBondContact O-N 3.27Å; L518-L532 HydrophobicContact CB-CD1 4.23Å; L518-L532 HydrophobicContact CD1-CD1 3.64Å; L518-L532 HydrophobicContact CG-CD1 4.06Å; V530-L532 HydrophobicContact CG1-CD1 4.18Å; V530-L532 HydrophobicContact CG1-CD2 3.86Å; V530-L532 HydrophobicContact CG1-CG 3.79Å; L532-Q536 HydrophobicContact CD2-CB 4.36Å; L532-L537 HydrophobicContact CB-CD1 4.37Å; L532-L537 HydrophobicContact CB-CD2 4.48Å; L532-L537 HydrophobicContact CB-CG 4.09Å; L532-L537 HydrophobicContact CD1-CD2 3.89Å; L532-L537 HydrophobicContact CD1-CG 4.41Å
533	S	96	Very high	82.9	Confident	3 Å²	3	25.9 Å²	25.9	2%	0.021	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	166.5	173.9	67.8	0	0	0	0	113.2	S512 D513 Y535 Q536 L537	S512-S533 WeakPolarHBondContact O-CB 3.48Å; D513-S533 WeakPolarHBondContact O-CA 3.34Å; D513-S533 WeakPolarHBondContact O-CB 3.36Å; S533-Y535 VanDerWaalsContact C-N 3.26Å; S533-Y535 PolarHBondContact O-N 2.89Å; S533-Q536 PolarHBondContact O-N 2.9Å; S533-Q536 WeakPolarHBondContact OG-CG 3.4Å; S533-Q536 PolarHBondContact OG-N 2.86Å; S533-L537 PolarHBondContact O-N 2.96Å
534	H	96.7	Very high	85.4	Confident	5 Å²	5	23.8 Å²	23.8	2%	0.023	12%	0.122	C	C	.	.	H	α-helix	trans	-56.4	-44.8	171.9	-65	-77.2	0	0	0	110.7	I314 I509 S511 D513 A515 Q536 L537 M538	I314-H534 HydrophobicContact CG1-CB 4.09Å; I314-H534 VanDerWaalsContact CG1-ND1 3.35Å; I314-H534 WeakPolarHBondContact CG1-ND1 3.47Å; I314-H534 PolarHBondContact N-ND1 3.32Å; I509-H534 WeakPolarHBondContact CG2-NE2 3.36Å; S511-H534 PolarHBondContact O-N 2.93Å; D513-H534 PolarHBondContact O-CD2 2.78Å; D513-H534 PolarHBondContact O-N 3.41Å; A515-H534 HydrophobicContact CB-CB 4.31Å; A515-H534 WeakPolarHBondContact CB-ND1 3.4Å; H534-Q536 PolarHBondContact O-N 3.47Å; H534-L537 PolarHBondContact O-N 3.17Å; H534-M538 VanDerWaalsContact O-CB 3.31Å; H534-M538 WeakPolarHBondContact O-CB 3.29Å; H534-M538 WeakPolarHBondContact O-CG 3.37Å; H534-M538 PolarHBondContact O-N 3.29Å
535	Y	96.6	Very high	88.2	Confident	28 Å²	28	18 Å²	18	11%	0.11	10%	0.095	C	C	.	.	H	α-helix	trans	-57.8	-47	177.1	-173.9	-79.3	0	0	0	112.2	P309 L310 T311 S511 S533 N539 I717 E718	P309-Y535 HydrophobicContact CB-CE2 3.93Å; P309-Y535 VanDerWaalsContact CB-OH 3.27Å; P309-Y535 WeakPolarHBondContact CB-OH 3.44Å; P309-Y535 HydrophobicContact CG-CE2 4.33Å; P309-Y535 WeakPolarHBondContact CG-OH 3.3Å; L310-Y535 WeakPolarHBondContact O-CD2 3.22Å; T311-Y535 HydrophobicContact CG2-CE2 4.29Å; S511-Y535 VanDerWaalsContact O-CB 3.24Å; S511-Y535 WeakPolarHBondContact O-CB 3.01Å; S511-Y535 PolarHBondContact O-N 3.14Å; S533-Y535 VanDerWaalsContact C-N 3.26Å; S533-Y535 PolarHBondContact O-N 2.89Å; Y535-N539 WeakPolarHBondContact CD1-ND2 3.44Å; Y535-N539 WeakPolarHBondContact CD2-ND2 3.36Å; Y535-N539 HydrophobicContact CE1-CB 4.44Å; Y535-N539 WeakPolarHBondContact CE2-ND2 3.43Å; Y535-N539 VanDerWaalsContact O-CB 3.25Å; Y535-N539 WeakPolarHBondContact O-CB 3.31Å; Y535-N539 PolarHBondContact O-N 2.93Å; Y535-N539 PolarHBondContact O-ND2 2.91Å; Y535-I717 HydrophobicContact CD1-CG2 4.42Å; Y535-I717 HydrophobicContact CE1-CG2 4.25Å; Y535-E718 WeakPolarHBondContact CE1-O 3.39Å; Y535-E718 PolarHBondContact OH-O 3.32Å
536	Q	95.7	Very high	90.6	Very high	2 Å²	2	20.6 Å²	20.6	1%	0.009	9%	0.091	C	C	.	.	H	α-helix	trans	-61.1	-50	179.8	-74	179	-77.6	0	0	111.4	L532 S533 H534 A540 S720 K721	L532-Q536 HydrophobicContact CD2-CB 4.36Å; S533-Q536 PolarHBondContact O-N 2.9Å; S533-Q536 WeakPolarHBondContact OG-CG 3.4Å; S533-Q536 PolarHBondContact OG-N 2.86Å; H534-Q536 PolarHBondContact O-N 3.47Å; Q536-A540 WeakPolarHBondContact O-CB 3.27Å; Q536-A540 PolarHBondContact O-N 3.24Å; Q536-S720 WeakPolarHBondContact CG-OG 3.32Å; Q536-K721 PolarHBondContact NE2-O 2.93Å
537	L	96.8	Very high	92.3	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-63.9	-48	-178.3	-78.1	174.3	0	0	0	112.1	I314 F391 A515 A516 L518 L532 S533 H534 C541 M568 L573	I314-L537 HydrophobicContact CD1-CB 4.3Å; I314-L537 HydrophobicContact CD1-CD1 4.01Å; F391-L537 HydrophobicContact CZ-CD1 4.43Å; A515-L537 HydrophobicContact CB-CD1 4.03Å; A516-L537 HydrophobicContact CB-CD1 4.03Å; L518-L537 HydrophobicContact CD1-CD2 4.08Å; L532-L537 HydrophobicContact CB-CD1 4.37Å; L532-L537 HydrophobicContact CB-CD2 4.48Å; L532-L537 HydrophobicContact CB-CG 4.09Å; L532-L537 HydrophobicContact CD1-CD2 3.89Å; L532-L537 HydrophobicContact CD1-CG 4.41Å; S533-L537 PolarHBondContact O-N 2.96Å; H534-L537 PolarHBondContact O-N 3.17Å; L537-C541 WeakPolarHBondContact O-CB 3.49Å; L537-C541 PolarHBondContact O-N 2.82Å; L537-M568 HydrophobicContact CD1-CE 4.39Å; L537-M568 HydrophobicContact CD2-CE 4.09Å; L537-L573 HydrophobicContact CB-CD1 3.69Å
538	M	97	Very high	93.3	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-64.9	-43.7	-178.7	-69.3	-66.1	-72.3	0	0	112	L310 I314 A317 H534 C541 L542 L573 I576 I577	L310-M538 HydrophobicContact CD1-CB 4.47Å; L310-M538 HydrophobicContact CD1-CE 3.82Å; I314-M538 HydrophobicContact CB-SD 4.46Å; I314-M538 HydrophobicContact CG1-CG 3.71Å; I314-M538 HydrophobicContact CG1-SD 3.83Å; I314-M538 HydrophobicContact CG2-SD 4.5Å; A317-M538 HydrophobicContact CB-CE 3.43Å; A317-M538 VanDerWaalsContact CB-CE 3.43Å; H534-M538 VanDerWaalsContact O-CB 3.31Å; H534-M538 WeakPolarHBondContact O-CB 3.29Å; H534-M538 WeakPolarHBondContact O-CG 3.37Å; H534-M538 PolarHBondContact O-N 3.29Å; M538-C541 PolarHBondContact O-N 2.73Å; M538-L542 VanDerWaalsContact O-CB 3.31Å; M538-L542 WeakPolarHBondContact O-CB 3.34Å; M538-L542 PolarHBondContact O-N 3.17Å; M538-L573 HydrophobicContact SD-CB 4.41Å; M538-L573 HydrophobicContact SD-CD1 4.47Å; M538-L573 HydrophobicContact SD-CD2 4.38Å; M538-I576 HydrophobicContact CE-CG2 4.04Å; M538-I577 HydrophobicContact CE-CD1 3.94Å; M538-I577 HydrophobicContact CE-CG1 3.46Å; M538-I577 VanDerWaalsContact CE-CG1 3.46Å; M538-I577 VanDerWaalsContact O-CD1 3.32Å; M538-I577 WeakPolarHBondContact O-CD1 3.07Å; M538-I577 HydrophobicContact SD-CD1 4.12Å; M538-I577 HydrophobicContact SD-CG1 4.19Å
539	N	96.9	Very high	93.9	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-79.8	-31.4	-176.6	-67.8	-58.6	0	0	0	113.2	F307 P309 L310 Y535 C541 L542 S543 I717	F307-N539 HydrophobicContact CE1-CB 4.16Å; F307-N539 HydrophobicContact CZ-CB 3.96Å; P309-N539 WeakPolarHBondContact CA-OD1 3.4Å; P309-N539 WeakPolarHBondContact CB-OD1 3.46Å; L310-N539 PolarHBondContact N-OD1 3.05Å; L310-N539 PolarHBondContact O-ND2 3.28Å; Y535-N539 WeakPolarHBondContact CD1-ND2 3.44Å; Y535-N539 WeakPolarHBondContact CD2-ND2 3.36Å; Y535-N539 HydrophobicContact CE1-CB 4.44Å; Y535-N539 WeakPolarHBondContact CE2-ND2 3.43Å; Y535-N539 VanDerWaalsContact O-CB 3.25Å; Y535-N539 WeakPolarHBondContact O-CB 3.31Å; Y535-N539 PolarHBondContact O-N 2.93Å; Y535-N539 PolarHBondContact O-ND2 2.91Å; N539-C541 VanDerWaalsContact C-N 3.35Å; N539-L542 PolarHBondContact O-N 3.4Å; N539-S543 PolarHBondContact O-N 2.91Å; N539-S543 VanDerWaalsContact O-N 3.12Å; N539-I717 HydrophobicContact CB-CG1 3.86Å; N539-I717 HydrophobicContact CB-CG2 4.14Å
540	A	95.6	Very high	94.3	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-63	-41	167.8	0	0	0	0	0	111.8	Q536 C667 F692	Q536-A540 WeakPolarHBondContact O-CB 3.27Å; Q536-A540 PolarHBondContact O-N 3.24Å; A540-C667 HydrophobicContact CB-CB 3.81Å; A540-F692 HydrophobicContact CB-CZ 3.82Å
541	C	96.3	Very high	94.6	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-65.1	-45.4	173.7	-170.9	0	0	0	0	112	L537 M538 N539 S543 I544 G545 C569 L573 S574 I577	L537-C541 WeakPolarHBondContact O-CB 3.49Å; L537-C541 PolarHBondContact O-N 2.82Å; M538-C541 PolarHBondContact O-N 2.73Å; N539-C541 VanDerWaalsContact C-N 3.35Å; C541-S543 VanDerWaalsContact C-N 3.28Å; C541-S543 PolarHBondContact O-N 2.84Å; C541-I544 WeakPolarHBondContact O-CG2 3.46Å; C541-I544 PolarHBondContact O-N 3.23Å; C541-G545 PolarHBondContact O-N 3.01Å; C541-C569 PolarHBondContact SG-O 3.39Å; C541-L573 HydrophobicContact CB-CB 4.03Å; C541-S574 PolarHBondContact SG-N 3.39Å; C541-S574 VanDerWaalsContact SG-N 3.43Å; C541-I577 HydrophobicContact CB-CD1 3.68Å
542	L	95.8	Very high	94.8	Very high	9 Å²	9	19.7 Å²	19.7	5%	0.047	10%	0.103	C	C	.	.	H	α-helix	trans	-55.7	-41.1	179.1	-178.4	65.9	0	0	0	112.5	F307 R308 L310 M538 N539 R546 I577 F578	F307-L542 HydrophobicContact CE2-CD2 4.31Å; F307-L542 HydrophobicContact CZ-CD2 4.09Å; R308-L542 WeakPolarHBondContact O-CD2 3.38Å; L310-L542 HydrophobicContact CD1-CD2 4.4Å; L310-L542 HydrophobicContact CG-CD2 4.14Å; M538-L542 VanDerWaalsContact O-CB 3.31Å; M538-L542 WeakPolarHBondContact O-CB 3.34Å; M538-L542 PolarHBondContact O-N 3.17Å; N539-L542 PolarHBondContact O-N 3.4Å; L542-R546 WeakPolarHBondContact O-CB 3.38Å; L542-R546 VanDerWaalsContact O-CG 3.29Å; L542-R546 WeakPolarHBondContact O-CG 3.46Å; L542-R546 PolarHBondContact O-N 2.64Å; L542-I577 HydrophobicContact CB-CD1 4.49Å; L542-I577 HydrophobicContact CD1-CG2 3.69Å; L542-F578 HydrophobicContact CD1-CE1 4.26Å; L542-F578 HydrophobicContact CD1-CZ 4.01Å
543	S	94.3	Very high	94.9	Very high	3 Å²	3	22.8 Å²	22.8	2%	0.021	13%	0.128	C	C	.	.	H	α-helix	trans	-62	-58.3	178.6	-175.1	0	0	0	0	111.7	N539 C541 G545 R546 R547 D690	N539-S543 PolarHBondContact O-N 2.91Å; N539-S543 VanDerWaalsContact O-N 3.12Å; C541-S543 VanDerWaalsContact C-N 3.28Å; C541-S543 PolarHBondContact O-N 2.84Å; S543-G545 VanDerWaalsContact C-N 3.34Å; S543-G545 PolarHBondContact O-N 2.94Å; S543-R546 PolarHBondContact O-N 3.36Å; S543-R547 PolarHBondContact O-N 2.82Å; S543-D690 WeakPolarHBondContact CB-O 3.4Å; S543-D690 PolarHBondContact OG-N 3.06Å; S543-D690 PolarHBondContact OG-O 3.47Å
544	I	93.2	Very high	95	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.005	14%	0.135	C	C	.	.	H	α-helix	trans	-69.3	-31.5	179.9	-174.4	161.5	0	0	0	112.8	C541 R547 L548 L570 V657 F661 A668 V671	C541-I544 WeakPolarHBondContact O-CG2 3.46Å; C541-I544 PolarHBondContact O-N 3.23Å; I544-R547 CarbonylContact O-C 3.51Å; I544-R547 PolarHBondContact O-N 3.22Å; I544-L548 HydrophobicContact CG1-CD1 4.09Å; I544-L548 HydrophobicContact CG1-CG 4.41Å; I544-L548 WeakPolarHBondContact O-CB 3.33Å; I544-L548 WeakPolarHBondContact O-CG 3.14Å; I544-L548 PolarHBondContact O-N 2.96Å; I544-L570 HydrophobicContact CB-CD2 4.45Å; I544-L570 HydrophobicContact CD1-CD1 4.44Å; I544-L570 HydrophobicContact CD1-CD2 4.1Å; I544-L570 HydrophobicContact CG1-CD2 4.1Å; I544-L570 HydrophobicContact CG2-CD2 3.54Å; I544-V657 HydrophobicContact CD1-CG1 4.28Å; I544-V657 HydrophobicContact CG1-CG1 4.34Å; I544-F661 HydrophobicContact CD1-CE1 3.87Å; I544-F661 HydrophobicContact CD1-CZ 3.64Å; I544-A668 HydrophobicContact CD1-CB 3.6Å; I544-V671 HydrophobicContact CD1-CG1 4.16Å; I544-V671 HydrophobicContact CG1-CG1 4.48Å
545	G	93.6	Very high	95.1	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-66.7	-37.9	176.9	0	0	0	0	0	112.9	C541 S543 L548 S549 L550	C541-G545 PolarHBondContact O-N 3.01Å; S543-G545 VanDerWaalsContact C-N 3.34Å; S543-G545 PolarHBondContact O-N 2.94Å; G545-L548 PolarHBondContact O-N 3.32Å; G545-S549 PolarHBondContact O-N 3.03Å; G545-L550 PolarHBondContact O-N 3.43Å
546	R	92.1	Very high	95.1	Very high	97 Å²	97	23.9 Å²	23.9	37%	0.366	14%	0.135	S	C	.	.	H	α-helix	trans	-61.4	-43.6	167.8	-76.3	173.2	-179.7	150.8	3.3	111.4	F307 R308 L542 S543 L548 S549 F578	F307-R546 VanDerWaalsContact CD2-NH1 3.31Å; R308-R546 PolarHBondContact O-NH2 3Å; R308-R546 VanDerWaalsContact O-NH2 3.08Å; L542-R546 WeakPolarHBondContact O-CB 3.38Å; L542-R546 VanDerWaalsContact O-CG 3.29Å; L542-R546 WeakPolarHBondContact O-CG 3.46Å; L542-R546 PolarHBondContact O-N 2.64Å; S543-R546 PolarHBondContact O-N 3.36Å; R546-L548 VanDerWaalsContact C-N 3.32Å; R546-L548 PolarHBondContact O-N 3.42Å; R546-S549 PolarHBondContact O-N 3.3Å; R546-F578 HydrophobicContact CG-CE1 4.4Å
547	R	89.7	Confident	95.3	Very high	50 Å²	50	23.8 Å²	23.8	19%	0.189	14%	0.135	C	C	.	.	H	α-helix	trans	-64.8	-31.9	177	170	55.8	113.1	-101.7	-12.7	113.4	S543 I544 S549 V657 V671 S672	S543-R547 PolarHBondContact O-N 2.82Å; I544-R547 CarbonylContact O-C 3.51Å; I544-R547 PolarHBondContact O-N 3.22Å; R547-S549 PolarHBondContact O-N 3.28Å; R547-V657 HydrophobicContact CG-CG1 3.85Å; R547-V657 HydrophobicContact CG-CG2 3.86Å; R547-V671 HydrophobicContact CG-CG2 4.31Å; R547-S672 PolarHBondContact NE-O 3.47Å; R547-S672 PolarHBondContact NH2-O 2.97Å
548	L	91.5	Very high	95.2	Very high	3 Å²	3	23.8 Å²	23.8	2%	0.016	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-2.8	172	-77.4	166.5	0	0	0	113.6	I544 G545 R546 L550 L570 T632 C634 V657	I544-L548 HydrophobicContact CG1-CD1 4.09Å; I544-L548 HydrophobicContact CG1-CG 4.41Å; I544-L548 WeakPolarHBondContact O-CB 3.33Å; I544-L548 WeakPolarHBondContact O-CG 3.14Å; I544-L548 PolarHBondContact O-N 2.96Å; G545-L548 PolarHBondContact O-N 3.32Å; R546-L548 VanDerWaalsContact C-N 3.32Å; R546-L548 PolarHBondContact O-N 3.42Å; L548-L550 VanDerWaalsContact C-N 3.29Å; L548-L550 HydrophobicContact CB-CD1 4.39Å; L548-L550 HydrophobicContact CB-CD2 3.9Å; L548-L550 HydrophobicContact CB-CG 3.74Å; L548-L550 HydrophobicContact CD1-CD1 4.37Å; L548-L550 PolarHBondContact O-N 3.01Å; L548-L570 HydrophobicContact CD1-CD2 3.9Å; L548-T632 HydrophobicContact CD2-CG2 3.73Å; L548-C634 HydrophobicContact CD1-CB 4.19Å; L548-C634 HydrophobicContact CD2-CB 3.8Å; L548-V657 HydrophobicContact CD2-CB 3.78Å; L548-V657 HydrophobicContact CD2-CG1 4.45Å; L548-V657 HydrophobicContact CD2-CG2 3.63Å; L548-V657 HydrophobicContact CG-CB 4.34Å; L548-V657 HydrophobicContact CG-CG2 4.12Å
549	S	91.7	Very high	95.1	Very high	75 Å²	75	24.3 Å²	24.3	52%	0.524	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	54	42.2	-172.5	-57.9	0	0	0	0	113	G545 R546 R547	G545-S549 PolarHBondContact O-N 3.03Å; R546-S549 PolarHBondContact O-N 3.3Å; R547-S549 PolarHBondContact O-N 3.28Å
550	L	94.7	Very high	94.9	Very high	11 Å²	11	25.4 Å²	25.4	6%	0.058	14%	0.144	C	C	.	.			trans	-72	133.7	178.9	-59.3	-173	0	0	0	111.8	G545 L548 Q554 L556 F578	G545-L550 PolarHBondContact O-N 3.43Å; L548-L550 VanDerWaalsContact C-N 3.29Å; L548-L550 HydrophobicContact CB-CD1 4.39Å; L548-L550 HydrophobicContact CB-CD2 3.9Å; L548-L550 HydrophobicContact CB-CG 3.74Å; L548-L550 HydrophobicContact CD1-CD1 4.37Å; L548-L550 PolarHBondContact O-N 3.01Å; L550-Q554 HydrophobicContact CD2-CB 4.09Å; L550-Q554 HydrophobicContact CD2-CG 4.02Å; L550-L556 HydrophobicContact CD1-CD2 4.06Å; L550-L556 HydrophobicContact CD2-CD1 4.11Å; L550-L556 HydrophobicContact CD2-CD2 4.27Å; L550-L556 HydrophobicContact CD2-CG 4.35Å; L550-F578 HydrophobicContact CB-CB 4.02Å; L550-F578 HydrophobicContact CB-CD1 4.16Å; L550-F578 HydrophobicContact CB-CD2 3.79Å; L550-F578 HydrophobicContact CB-CE2 4.31Å; L550-F578 HydrophobicContact CB-CG 3.72Å; L550-F578 HydrophobicContact CD1-CD2 4.2Å; L550-F578 HydrophobicContact CD1-CE2 4.47Å; L550-F578 WeakPolarHBondContact O-CD1 3.48Å
551	D	96.1	Very high	94.6	Very high	72 Å²	72	27 Å²	27	39%	0.385	15%	0.154	S	C	.	.			trans	-153.2	-175.7	177.4	73.2	-7.3	0	0	0	109.9	A553 Q554 F578 C580	D551-A553 PolarHBondContact O-N 3.39Å; D551-A553 VanDerWaalsContact O-N 3.14Å; D551-A553 WeakPolarHBondContact OD1-CA 3.13Å; D551-A553 WeakPolarHBondContact OD1-CB 3.41Å; D551-A553 PolarHBondContact OD1-N 3.07Å; D551-Q554 PolarHBondContact O-N 3.18Å; D551-Q554 VanDerWaalsContact O-N 3.13Å; D551-Q554 WeakPolarHBondContact OD1-CG 3.27Å; D551-Q554 PolarHBondContact OD1-N 2.85Å; D551-Q554 VanDerWaalsContact OD1-N 3.14Å; D551-Q554 PolarHBondContact OD1-NE2 2.86Å; D551-F578 CarbonylContact C-O 3.59Å; D551-C580 WeakPolarHBondContact O-CA 3.49Å; D551-C580 VanDerWaalsContact O-CB 3.24Å; D551-C580 WeakPolarHBondContact O-CB 3.4Å
552	S	96.5	Very high	94.4	Very high	55 Å²	55	27.2 Å²	27.2	39%	0.385	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-3.5	180	72.6	0	0	0	0	114.3	R328 F578	R328-S552 VanDerWaalsContact CZ-O 3.24Å; R328-S552 PolarHBondContact NH1-O 3.08Å; R328-S552 PolarHBondContact NH2-O 3.49Å; S552-F578 PolarHBondContact N-O 3.35Å
553	A	96.5	Very high	94.1	Very high	64 Å²	64	28.8 Å²	28.8	53%	0.529	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-17.9	171.3	0	0	0	0	0	112.8	D551	D551-A553 PolarHBondContact O-N 3.39Å; D551-A553 VanDerWaalsContact O-N 3.14Å; D551-A553 WeakPolarHBondContact OD1-CA 3.13Å; D551-A553 WeakPolarHBondContact OD1-CB 3.41Å; D551-A553 PolarHBondContact OD1-N 3.07Å
554	Q	97.4	Very high	93.8	Very high	34 Å²	34	34.8 Å²	34.8	16%	0.159	18%	0.184	C	C	.	.			trans	-75.5	143.7	-178.1	-58.2	-36.4	-60	0	0	113.5	L550 D551 L556 C580 K581 T604	L550-Q554 HydrophobicContact CD2-CB 4.09Å; L550-Q554 HydrophobicContact CD2-CG 4.02Å; D551-Q554 PolarHBondContact O-N 3.18Å; D551-Q554 VanDerWaalsContact O-N 3.13Å; D551-Q554 WeakPolarHBondContact OD1-CG 3.27Å; D551-Q554 PolarHBondContact OD1-N 2.85Å; D551-Q554 VanDerWaalsContact OD1-N 3.14Å; D551-Q554 PolarHBondContact OD1-NE2 2.86Å; Q554-L556 HydrophobicContact CB-CD1 4.22Å; Q554-C580 HydrophobicContact CB-CB 4.16Å; Q554-C580 WeakPolarHBondContact O-CB 3.3Å; Q554-K581 PolarHBondContact O-N 2.81Å; Q554-T604 WeakPolarHBondContact CA-OG1 3.45Å; Q554-T604 PolarHBondContact OE1-OG1 3.3Å
555	V	98.5	Very high	93.5	Very high	20 Å²	20	34.9 Å²	34.9	12%	0.121	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	109.1	177.1	-175.9	0	0	0	0	108.8	K581 V583 C603 T604 C605	V555-K581 CarbonylContact C-O 3.57Å; V555-K581 WeakPolarHBondContact CA-O 3.39Å; V555-K581 HydrophobicContact CG1-CB 4.32Å; V555-K581 HydrophobicContact CG1-CD 4.14Å; V555-K581 HydrophobicContact CG1-CG 4.29Å; V555-K581 HydrophobicContact CG2-CB 4.22Å; V555-K581 HydrophobicContact CG2-CD 4.41Å; V555-V583 HydrophobicContact CG1-CG2 3.8Å; V555-C603 HydrophobicContact CG1-CB 4.34Å; V555-C603 CarbonylContact O-C 3.59Å; V555-C603 WeakPolarHBondContact O-CA 3.48Å; V555-T604 PolarHBondContact N-OG1 3.47Å; V555-T604 PolarHBondContact O-N 3.4Å; V555-C605 PolarHBondContact O-N 2.93Å; V555-C605 VanDerWaalsContact O-N 3.16Å
556	L	98.3	Very high	93.2	Very high	5 Å²	5	35.7 Å²	35.7	3%	0.026	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	117.7	-172.9	-65.7	78.9	0	0	0	110.9	L550 Q554 C580 K581 A582 V583 C605	L550-L556 HydrophobicContact CD1-CD2 4.06Å; L550-L556 HydrophobicContact CD2-CD1 4.11Å; L550-L556 HydrophobicContact CD2-CD2 4.27Å; L550-L556 HydrophobicContact CD2-CG 4.35Å; Q554-L556 HydrophobicContact CB-CD1 4.22Å; L556-C580 HydrophobicContact CD1-CB 3.63Å; L556-C580 VanDerWaalsContact CD1-SG 3.54Å; L556-K581 PolarHBondContact N-O 2.89Å; L556-A582 CarbonylContact O-C 3.55Å; L556-V583 PolarHBondContact O-N 3.45Å; L556-C605 CarbonylContact C-O 3.45Å; L556-C605 WeakPolarHBondContact CA-O 3.43Å; L556-C605 HydrophobicContact CG-CB 4.23Å
557	C	98.2	Very high	93.2	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	119.2	165.8	-169.9	0	0	0	0	109.7	P559 V583 I598 C603 C605 L606 L607	C557-P559 WeakPolarHBondContact O-CD 3.27Å; C557-V583 WeakPolarHBondContact CA-O 3.48Å; C557-I598 HydrophobicContact CB-CD1 4.38Å; C557-I598 HydrophobicContact CB-CG1 3.79Å; C557-C603 HydrophobicContact CB-CB 4.07Å; C557-C605 PolarHBondContact N-O 3.37Å; C557-L606 HydrophobicContact CB-CD1 4.16Å; C557-L607 PolarHBondContact O-N 3.34Å
558	S	96.4	Very high	93.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.167	C	C	.	.			trans	-123.5	83.5	-177.6	-169.4	0	0	0	0	112.6	L560 T571 V583 I584	S558-L560 VanDerWaalsContact C-N 3.25Å; S558-L560 PolarHBondContact O-N 3.03Å; S558-T571 VanDerWaalsContact CB-CG2 3.49Å; S558-T571 PolarHBondContact OG-OG1 2.83Å; S558-V583 PolarHBondContact N-O 3.46Å; S558-I584 WeakPolarHBondContact O-CD1 3.32Å
559	P	95	Very high	93.5	Very high	11 Å²	11	29 Å²	29	7%	0.071	17%	0.166	C	C	.	.			trans	-72.9	-8	169	29.7	-38	0	0	0	114.7	C557 P585 P589 I594 L606 L607	C557-P559 WeakPolarHBondContact O-CD 3.27Å; P559-P585 HydrophobicContact CB-CG 3.97Å; P559-P589 HydrophobicContact CB-CB 3.81Å; P559-P589 HydrophobicContact CB-CG 3.58Å; P559-P589 WeakPolarHBondContact O-CG 3.44Å; P559-I594 HydrophobicContact CB-CD1 3.85Å; P559-I594 HydrophobicContact CB-CG1 4.08Å; P559-I594 HydrophobicContact CG-CD1 4.11Å; P559-I594 HydrophobicContact CG-CG2 4.38Å; P559-L606 HydrophobicContact CG-CD1 3.99Å; P559-L607 VanDerWaalsContact CD-O 3.27Å; P559-L607 WeakPolarHBondContact CD-O 3.43Å; P559-L607 WeakPolarHBondContact CG-O 3.06Å
560	L	92	Very high	93.6	Very high	24 Å²	24	25.6 Å²	25.6	13%	0.126	14%	0.142	C	C	.	.	S	Bend	trans	-76.8	151.6	-178	-67.2	-171.4	0	0	0	112.1	N373 S558 L562 V567 L607 A636	N373-L560 PolarHBondContact ND2-O 3.02Å; S558-L560 VanDerWaalsContact C-N 3.25Å; S558-L560 PolarHBondContact O-N 3.03Å; L560-L562 PolarHBondContact O-N 3.44Å; L560-V567 HydrophobicContact CB-CB 4.39Å; L560-V567 HydrophobicContact CB-CG1 3.57Å; L560-V567 HydrophobicContact CB-CG2 3.86Å; L560-V567 HydrophobicContact CD1-CG2 3.96Å; L560-L607 HydrophobicContact CD1-CD1 3.97Å; L560-L607 HydrophobicContact CD1-CG 3.94Å; L560-L607 HydrophobicContact CG-CG 4.39Å; L560-A636 HydrophobicContact CD1-CB 4.48Å
561	P	90	Very high	93.7	Very high	32 Å²	32	25.1 Å²	25.1	21%	0.208	14%	0.139	C	C	.	.			trans	-70	122.2	-175.1	-18	31.5	0	0	0	113.3	N373 F563 R564	N373-P561 VanDerWaalsContact OD1-CA 3.27Å; N373-P561 WeakPolarHBondContact OD1-CA 3.09Å; P561-F563 HydrophobicContact CB-CD1 3.88Å; P561-F563 HydrophobicContact CB-CD2 4.5Å; P561-F563 HydrophobicContact CB-CE1 3.42Å; P561-F563 VanDerWaalsContact CB-CE1 3.42Å; P561-F563 HydrophobicContact CB-CE2 4.09Å; P561-F563 HydrophobicContact CB-CG 4.4Å; P561-F563 HydrophobicContact CB-CZ 3.54Å; P561-F563 HydrophobicContact CG-CE1 4.4Å; P561-F563 HydrophobicContact CG-CZ 4.2Å; P561-F563 PolarHBondContact O-N 2.67Å; P561-R564 WeakPolarHBondContact O-CB 3.38Å; P561-R564 PolarHBondContact O-N 2.85Å
562	L	92	Very high	93.8	Very high	6 Å²	6	21.7 Å²	21.7	3%	0.031	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-30.3	-178.4	-70.3	177	0	0	0	113.1	N373 L377 L560 R564 M568 T571 V572	N373-L562 PolarHBondContact OD1-N 2.99Å; L377-L562 HydrophobicContact CD2-CB 4.3Å; L560-L562 PolarHBondContact O-N 3.44Å; L562-R564 PolarHBondContact O-N 3.04Å; L562-M568 WeakPolarHBondContact O-CB 3.45Å; L562-T571 HydrophobicContact CD2-CG2 3.86Å; L562-V572 HydrophobicContact CD2-CG2 4.32Å
563	F	88.7	Confident	93.8	Very high	42 Å²	42	19.1 Å²	19.1	18%	0.184	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-5.9	176.9	62.2	-103.9	0	0	0	114.4	G371 L393 S395 P396 P561	G371-F563 WeakPolarHBondContact O-CD1 3.37Å; L393-F563 HydrophobicContact CB-CB 4.15Å; S395-F563 VanDerWaalsContact CB-CE2 3.46Å; S395-F563 WeakPolarHBondContact OG-CE2 3.47Å; S395-F563 VanDerWaalsContact OG-CZ 3.28Å; S395-F563 WeakPolarHBondContact OG-CZ 3.37Å; P396-F563 VanDerWaalsContact CD-CE1 3.41Å; P396-F563 HydrophobicContact CG-CE1 4.37Å; P561-F563 HydrophobicContact CB-CD1 3.88Å; P561-F563 HydrophobicContact CB-CD2 4.5Å; P561-F563 HydrophobicContact CB-CE1 3.42Å; P561-F563 VanDerWaalsContact CB-CE1 3.42Å; P561-F563 HydrophobicContact CB-CE2 4.09Å; P561-F563 HydrophobicContact CB-CG 4.4Å; P561-F563 HydrophobicContact CB-CZ 3.54Å; P561-F563 HydrophobicContact CG-CE1 4.4Å; P561-F563 HydrophobicContact CG-CZ 4.2Å; P561-F563 PolarHBondContact O-N 2.67Å
564	R	88	Confident	93.9	Very high	129 Å²	129	16 Å²	16	49%	0.487	8%	0.078	S	C	.	.	S	Bend	trans	-86.6	118.9	170.6	-64.2	-177.8	176	-169.4	-2	109.6	P561 L562 V567 M568	P561-R564 WeakPolarHBondContact O-CB 3.38Å; P561-R564 PolarHBondContact O-N 2.85Å; L562-R564 PolarHBondContact O-N 3.04Å; R564-V567 HydrophobicContact CB-CB 4.14Å; R564-V567 HydrophobicContact CB-CG2 3.87Å; R564-V567 WeakPolarHBondContact O-CA 3.16Å; R564-V567 WeakPolarHBondContact O-CB 3.34Å; R564-V567 PolarHBondContact O-N 3.06Å; R564-M568 PolarHBondContact O-N 2.77Å
565	G	87.7	Confident	93.9	Very high	3 Å²	3	14.5 Å²	14.5	3%	0.031	7%	0.071	C	C	.	.	H	α-helix	trans	-46.4	-53.4	-172.9	0	0	0	0	0	115.7	V567 M568 C569	G565-V567 VanDerWaalsContact C-N 3.27Å; G565-V567 PolarHBondContact O-N 2.83Å; G565-M568 WeakPolarHBondContact O-CB 3.38Å; G565-M568 PolarHBondContact O-N 3.23Å; G565-C569 WeakPolarHBondContact O-CB 3.49Å; G565-C569 PolarHBondContact O-N 3.12Å
566	P	86.7	Confident	93.9	Very high	16 Å²	16	13.6 Å²	13.6	10%	0.104	7%	0.065	C	C	.	.	H	α-helix	trans	-66.3	-23	178.4	-23.8	34.9	0	0	0	114.9	C569 L570 F661	P566-C569 WeakPolarHBondContact O-CB 3.27Å; P566-L570 PolarHBondContact O-N 3.2Å; P566-F661 HydrophobicContact CB-CB 4.39Å; P566-F661 HydrophobicContact CB-CD1 3.82Å
567	V	90.8	Very high	93.8	Very high	10 Å²	10	14.7 Å²	14.7	6%	0.061	7%	0.071	C	C	.	.	H	α-helix	trans	-77.4	-43.3	174.8	178.5	0	0	0	0	110.8	L560 R564 G565 C569 L570 T571 L607	L560-V567 HydrophobicContact CB-CB 4.39Å; L560-V567 HydrophobicContact CB-CG1 3.57Å; L560-V567 HydrophobicContact CB-CG2 3.86Å; L560-V567 HydrophobicContact CD1-CG2 3.96Å; R564-V567 HydrophobicContact CB-CB 4.14Å; R564-V567 HydrophobicContact CB-CG2 3.87Å; R564-V567 WeakPolarHBondContact O-CA 3.16Å; R564-V567 WeakPolarHBondContact O-CB 3.34Å; R564-V567 PolarHBondContact O-N 3.06Å; G565-V567 VanDerWaalsContact C-N 3.27Å; G565-V567 PolarHBondContact O-N 2.83Å; V567-C569 VanDerWaalsContact C-N 3.26Å; V567-C569 PolarHBondContact O-N 2.63Å; V567-L570 PolarHBondContact O-N 3.3Å; V567-T571 WeakPolarHBondContact O-CB 3.21Å; V567-T571 PolarHBondContact O-N 2.87Å; V567-T571 PolarHBondContact O-OG1 3.06Å; V567-L607 HydrophobicContact CG1-CD2 4.31Å
568	M	94.7	Very high	93.8	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-55.7	-45	168.2	170.8	-80.6	-62.1	0	0	110.8	L381 F391 L393 L518 L537 L562 R564 G565 T571 V572 L573	L381-M568 HydrophobicContact CD1-CG 3.46Å; L381-M568 VanDerWaalsContact CD1-CG 3.46Å; L381-M568 HydrophobicContact CD1-SD 4.3Å; F391-M568 HydrophobicContact CE2-CE 3.96Å; F391-M568 HydrophobicContact CE2-SD 4.44Å; F391-M568 HydrophobicContact CZ-CE 4.08Å; F391-M568 HydrophobicContact CZ-SD 4.34Å; L393-M568 HydrophobicContact CD1-CB 3.99Å; L393-M568 HydrophobicContact CD1-CG 3.97Å; L518-M568 HydrophobicContact CD1-CE 3.64Å; L537-M568 HydrophobicContact CD1-CE 4.39Å; L537-M568 HydrophobicContact CD2-CE 4.09Å; L562-M568 WeakPolarHBondContact O-CB 3.45Å; R564-M568 PolarHBondContact O-N 2.77Å; G565-M568 WeakPolarHBondContact O-CB 3.38Å; G565-M568 PolarHBondContact O-N 3.23Å; M568-T571 PolarHBondContact O-N 3.25Å; M568-V572 HydrophobicContact CG-CG2 4.33Å; M568-V572 WeakPolarHBondContact O-CA 3.44Å; M568-V572 WeakPolarHBondContact O-CB 3.2Å; M568-V572 PolarHBondContact O-N 3.22Å; M568-L573 HydrophobicContact SD-CD1 4.21Å; M568-L573 HydrophobicContact SD-CD2 4.32Å; M568-L573 HydrophobicContact SD-CG 4.04Å
569	C	94.4	Very high	93.9	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.077	C	C	.	.	I	π-helix	trans	-57.6	-52.9	178.3	-162.9	0	0	0	0	111.2	C541 G565 P566 V567 L573 S574 C667	C541-C569 PolarHBondContact SG-O 3.39Å; G565-C569 WeakPolarHBondContact O-CB 3.49Å; G565-C569 PolarHBondContact O-N 3.12Å; P566-C569 WeakPolarHBondContact O-CB 3.27Å; V567-C569 VanDerWaalsContact C-N 3.26Å; V567-C569 PolarHBondContact O-N 2.63Å; C569-L573 WeakPolarHBondContact O-CB 3.24Å; C569-L573 PolarHBondContact O-N 2.96Å; C569-S574 PolarHBondContact O-N 3.4Å; C569-C667 HydrophobicContact CB-CB 4.3Å
570	L	94	Very high	94	Very high	3 Å²	3	15.7 Å²	15.7	2%	0.016	7%	0.074	C	C	.	.	I	π-helix	trans	-69.4	-30	178	-82	179.4	0	0	0	115.3	I544 L548 P566 V567 S574 L607 C634 F661	I544-L570 HydrophobicContact CB-CD2 4.45Å; I544-L570 HydrophobicContact CD1-CD1 4.44Å; I544-L570 HydrophobicContact CD1-CD2 4.1Å; I544-L570 HydrophobicContact CG1-CD2 4.1Å; I544-L570 HydrophobicContact CG2-CD2 3.54Å; L548-L570 HydrophobicContact CD1-CD2 3.9Å; P566-L570 PolarHBondContact O-N 3.2Å; V567-L570 PolarHBondContact O-N 3.3Å; L570-S574 WeakPolarHBondContact O-CB 3.18Å; L570-S574 PolarHBondContact O-OG 2.97Å; L570-L607 HydrophobicContact CB-CD2 3.75Å; L570-L607 HydrophobicContact CD1-CD1 3.67Å; L570-L607 HydrophobicContact CD1-CD2 4.04Å; L570-C634 VanDerWaalsContact CD1-SG 3.59Å; L570-F661 HydrophobicContact CD1-CE1 3.59Å; L570-F661 HydrophobicContact CD1-CZ 3.99Å; L570-F661 HydrophobicContact CG-CE1 4.4Å
571	T	96.1	Very high	94.3	Very high	1 Å²	1	15.5 Å²	15.5	1%	0.006	7%	0.072	C	C	.	.	I	π-helix	trans	-94.5	-36.2	-172.7	-50	0	0	0	0	112.7	F331 S558 L562 V567 M568 A582 I584	F331-T571 HydrophobicContact CE1-CG2 4.32Å; F331-T571 WeakPolarHBondContact CZ-O 3.32Å; S558-T571 VanDerWaalsContact CB-CG2 3.49Å; S558-T571 PolarHBondContact OG-OG1 2.83Å; L562-T571 HydrophobicContact CD2-CG2 3.86Å; V567-T571 WeakPolarHBondContact O-CB 3.21Å; V567-T571 PolarHBondContact O-N 2.87Å; V567-T571 PolarHBondContact O-OG1 3.06Å; M568-T571 PolarHBondContact O-N 3.25Å; T571-A582 HydrophobicContact CG2-CB 4.28Å; T571-I584 HydrophobicContact CG2-CD1 3.95Å
572	V	97.6	Very high	94.7	Very high	1 Å²	1	14 Å²	14	1%	0.006	6%	0.062	C	C	.	.	I	π-helix	trans	-102.1	-49.4	-175.6	-171.8	0	0	0	0	111.4	F331 L378 L381 L382 L562 M568 S574 T575 I576	F331-V572 HydrophobicContact CZ-CG2 4.29Å; L378-V572 HydrophobicContact CD1-CB 4.42Å; L378-V572 HydrophobicContact CD1-CG1 3.76Å; L378-V572 HydrophobicContact CD1-CG2 3.79Å; L381-V572 HydrophobicContact CD2-CG1 4.19Å; L382-V572 HydrophobicContact CD2-CG1 3.96Å; L562-V572 HydrophobicContact CD2-CG2 4.32Å; M568-V572 HydrophobicContact CG-CG2 4.33Å; M568-V572 WeakPolarHBondContact O-CA 3.44Å; M568-V572 WeakPolarHBondContact O-CB 3.2Å; M568-V572 PolarHBondContact O-N 3.22Å; V572-S574 VanDerWaalsContact C-N 3.27Å; V572-S574 PolarHBondContact O-N 3.02Å; V572-T575 PolarHBondContact O-N 2.86Å; V572-T575 PolarHBondContact O-OG1 2.82Å; V572-I576 HydrophobicContact CG1-CD1 4.32Å; V572-I576 PolarHBondContact O-N 3.17Å
573	L	97.8	Very high	95	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	6%	0.061	C	C	.	.	I	π-helix	trans	-71	-27.4	-176.4	-51.1	-175.8	0	0	0	111.6	I314 L537 M538 C541 M568 C569 T575 I576 I577	I314-L573 HydrophobicContact CD1-CD2 4.32Å; I314-L573 HydrophobicContact CG2-CD2 3.82Å; L537-L573 HydrophobicContact CB-CD1 3.69Å; M538-L573 HydrophobicContact SD-CB 4.41Å; M538-L573 HydrophobicContact SD-CD1 4.47Å; M538-L573 HydrophobicContact SD-CD2 4.38Å; C541-L573 HydrophobicContact CB-CB 4.03Å; M568-L573 HydrophobicContact SD-CD1 4.21Å; M568-L573 HydrophobicContact SD-CD2 4.32Å; M568-L573 HydrophobicContact SD-CG 4.04Å; C569-L573 WeakPolarHBondContact O-CB 3.24Å; C569-L573 PolarHBondContact O-N 2.96Å; L573-T575 VanDerWaalsContact C-N 3.33Å; L573-T575 PolarHBondContact O-N 2.71Å; L573-I576 HydrophobicContact CD2-CD1 3.99Å; L573-I576 WeakPolarHBondContact O-CB 3.49Å; L573-I576 PolarHBondContact O-N 2.68Å; L573-I577 HydrophobicContact CB-CD1 4.43Å; L573-I577 WeakPolarHBondContact O-CB 3.42Å; L573-I577 VanDerWaalsContact O-CG1 3.26Å; L573-I577 WeakPolarHBondContact O-CG1 3.34Å; L573-I577 PolarHBondContact O-N 2.93Å
574	S	97	Very high	95.4	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-58.8	-40.7	171.4	-60.9	0	0	0	0	113	C541 C569 L570 V572 I576 I577 F578 C580	C541-S574 PolarHBondContact SG-N 3.39Å; C541-S574 VanDerWaalsContact SG-N 3.43Å; C569-S574 PolarHBondContact O-N 3.4Å; L570-S574 WeakPolarHBondContact O-CB 3.18Å; L570-S574 PolarHBondContact O-OG 2.97Å; V572-S574 VanDerWaalsContact C-N 3.27Å; V572-S574 PolarHBondContact O-N 3.02Å; S574-I576 VanDerWaalsContact C-N 3.3Å; S574-I576 PolarHBondContact O-N 3.33Å; S574-I577 PolarHBondContact O-N 3.35Å; S574-F578 WeakPolarHBondContact O-CB 3.14Å; S574-F578 WeakPolarHBondContact O-CD2 3.48Å; S574-F578 PolarHBondContact O-N 2.53Å; S574-C580 PolarHBondContact O-SG 2.58Å; S574-C580 VanDerWaalsContact O-SG 3.39Å
575	T	97.6	Very high	95.8	Very high	1 Å²	1	5.8 Å²	5.8	1%	0.006	3%	0.031	C	C	.	.	H	α-helix	trans	-69.8	-32.5	179.1	66.1	0	0	0	0	111.1	Y322 F331 V572 L573 G579 C580 A582	Y322-T575 WeakPolarHBondContact OH-CB 3.32Å; Y322-T575 PolarHBondContact OH-OG1 2.75Å; F331-T575 HydrophobicContact CE2-CG2 3.75Å; F331-T575 HydrophobicContact CZ-CG2 4.13Å; V572-T575 PolarHBondContact O-N 2.86Å; V572-T575 PolarHBondContact O-OG1 2.82Å; L573-T575 VanDerWaalsContact C-N 3.33Å; L573-T575 PolarHBondContact O-N 2.71Å; T575-G579 VanDerWaalsContact O-CA 3.31Å; T575-G579 WeakPolarHBondContact O-CA 3.19Å; T575-G579 PolarHBondContact O-N 2.96Å; T575-G579 VanDerWaalsContact O-N 3.11Å; T575-C580 WeakPolarHBondContact CB-O 3.42Å; T575-C580 VanDerWaalsContact CG2-O 3.24Å; T575-C580 WeakPolarHBondContact CG2-O 3.17Å; T575-A582 HydrophobicContact CG2-CB 3.92Å
576	I	98.1	Very high	96	Very high	2 Å²	2	6 Å²	6	1%	0.01	3%	0.031	C	C	.	.	H	α-helix	trans	-70.6	-35.1	174.1	-65.8	166.6	0	0	0	112.4	I314 A317 F318 N321 Y322 L382 M538 V572 L573 S574	I314-I576 HydrophobicContact CG2-CD1 4.03Å; A317-I576 HydrophobicContact CB-CG2 3.6Å; F318-I576 HydrophobicContact CB-CD1 4.04Å; F318-I576 HydrophobicContact CB-CG1 4.07Å; F318-I576 HydrophobicContact CB-CG2 4.13Å; F318-I576 HydrophobicContact CD2-CD1 4.4Å; F318-I576 HydrophobicContact CD2-CG1 4.12Å; F318-I576 HydrophobicContact CG-CD1 4.44Å; F318-I576 HydrophobicContact CG-CG1 4.47Å; N321-I576 VanDerWaalsContact CB-O 3.27Å; N321-I576 WeakPolarHBondContact CB-O 3.5Å; N321-I576 PolarHBondContact ND2-O 3.15Å; Y322-I576 HydrophobicContact CE2-CB 4.44Å; Y322-I576 HydrophobicContact CE2-CG1 3.77Å; L382-I576 HydrophobicContact CD2-CD1 3.86Å; M538-I576 HydrophobicContact CE-CG2 4.04Å; V572-I576 HydrophobicContact CG1-CD1 4.32Å; V572-I576 PolarHBondContact O-N 3.17Å; L573-I576 HydrophobicContact CD2-CD1 3.99Å; L573-I576 WeakPolarHBondContact O-CB 3.49Å; L573-I576 PolarHBondContact O-N 2.68Å; S574-I576 VanDerWaalsContact C-N 3.3Å; S574-I576 PolarHBondContact O-N 3.33Å
577	I	97.6	Very high	96	Very high	27 Å²	27	6.3 Å²	6.3	14%	0.138	3%	0.031	C	C	.	.	H	α-helix	trans	-87.3	-46	-176.8	-66.7	165.8	0	0	0	111.7	L310 N321 M538 C541 L542 L573 S574	L310-I577 HydrophobicContact CD1-CD1 4.3Å; L310-I577 HydrophobicContact CD1-CG1 3.94Å; L310-I577 HydrophobicContact CD1-CG2 4.26Å; N321-I577 PolarHBondContact ND2-O 2.87Å; N321-I577 VanDerWaalsContact ND2-O 3.16Å; M538-I577 HydrophobicContact CE-CD1 3.94Å; M538-I577 HydrophobicContact CE-CG1 3.46Å; M538-I577 VanDerWaalsContact CE-CG1 3.46Å; M538-I577 VanDerWaalsContact O-CD1 3.32Å; M538-I577 WeakPolarHBondContact O-CD1 3.07Å; M538-I577 HydrophobicContact SD-CD1 4.12Å; M538-I577 HydrophobicContact SD-CG1 4.19Å; C541-I577 HydrophobicContact CB-CD1 3.68Å; L542-I577 HydrophobicContact CB-CD1 4.49Å; L542-I577 HydrophobicContact CD1-CG2 3.69Å; L573-I577 HydrophobicContact CB-CD1 4.43Å; L573-I577 WeakPolarHBondContact O-CB 3.42Å; L573-I577 VanDerWaalsContact O-CG1 3.26Å; L573-I577 WeakPolarHBondContact O-CG1 3.34Å; L573-I577 PolarHBondContact O-N 2.93Å; S574-I577 PolarHBondContact O-N 3.35Å
578	F	97.4	Very high	95.6	Very high	32 Å²	32	10 Å²	10	14%	0.14	5%	0.048	C	C	.	.	H	α-helix	trans	-108.4	-9.7	-168.3	-56.8	-78.6	0	0	0	114	L542 R546 L550 D551 S552 S574 C580	L542-F578 HydrophobicContact CD1-CE1 4.26Å; L542-F578 HydrophobicContact CD1-CZ 4.01Å; R546-F578 HydrophobicContact CG-CE1 4.4Å; L550-F578 HydrophobicContact CB-CB 4.02Å; L550-F578 HydrophobicContact CB-CD1 4.16Å; L550-F578 HydrophobicContact CB-CD2 3.79Å; L550-F578 HydrophobicContact CB-CE2 4.31Å; L550-F578 HydrophobicContact CB-CG 3.72Å; L550-F578 HydrophobicContact CD1-CD2 4.2Å; L550-F578 HydrophobicContact CD1-CE2 4.47Å; L550-F578 WeakPolarHBondContact O-CD1 3.48Å; D551-F578 CarbonylContact C-O 3.59Å; S552-F578 PolarHBondContact N-O 3.35Å; S574-F578 WeakPolarHBondContact O-CB 3.14Å; S574-F578 WeakPolarHBondContact O-CD2 3.48Å; S574-F578 PolarHBondContact O-N 2.53Å; F578-C580 PolarHBondContact O-N 2.83Å
579	G	97.7	Very high	94.9	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.06	C	C	.	.			trans	68.3	14.5	-176	0	0	0	0	0	114.2	R328 F342 T575	R328-G579 PolarHBondContact NH2-O 2.97Å; F342-G579 VanDerWaalsContact CZ-O 3.23Å; F342-G579 WeakPolarHBondContact CZ-O 3.26Å; T575-G579 VanDerWaalsContact O-CA 3.31Å; T575-G579 WeakPolarHBondContact O-CA 3.19Å; T575-G579 PolarHBondContact O-N 2.96Å; T575-G579 VanDerWaalsContact O-N 3.11Å
580	C	97.7	Very high	94.6	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.092	C	C	.	.			trans	-67.2	158.7	175.7	60.7	0	0	0	0	111.9	D551 Q554 L556 S574 T575 F578	D551-C580 WeakPolarHBondContact O-CA 3.49Å; D551-C580 VanDerWaalsContact O-CB 3.24Å; D551-C580 WeakPolarHBondContact O-CB 3.4Å; Q554-C580 HydrophobicContact CB-CB 4.16Å; Q554-C580 WeakPolarHBondContact O-CB 3.3Å; L556-C580 HydrophobicContact CD1-CB 3.63Å; L556-C580 VanDerWaalsContact CD1-SG 3.54Å; S574-C580 PolarHBondContact O-SG 2.58Å; S574-C580 VanDerWaalsContact O-SG 3.39Å; T575-C580 WeakPolarHBondContact CB-O 3.42Å; T575-C580 VanDerWaalsContact CG2-O 3.24Å; T575-C580 WeakPolarHBondContact CG2-O 3.17Å; F578-C580 PolarHBondContact O-N 2.83Å
581	K	98.4	Very high	94.5	Very high	20 Å²	20	18.7 Å²	18.7	9%	0.087	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	141.5	176.4	-179.5	-179.6	179.8	-179.8	0	111	E329 A330 V332 Q554 V555 L556	E329-K581 HydrophobicContact CB-CD 3.95Å; E329-K581 HydrophobicContact CB-CG 4.46Å; E329-K581 WeakPolarHBondContact OE1-CE 3.26Å; E329-K581 IonicContact OE1-NZ 2.61Å; E329-K581 PolarHBondContact OE1-NZ 2.94Å; E329-K581 IonicContact OE2-NZ 2.71Å; E329-K581 PolarHBondContact OE2-NZ 3.04Å; A330-K581 WeakPolarHBondContact O-CA 3.27Å; V332-K581 VanDerWaalsContact CG2-CE 3.49Å; Q554-K581 PolarHBondContact O-N 2.81Å; V555-K581 CarbonylContact C-O 3.57Å; V555-K581 WeakPolarHBondContact CA-O 3.39Å; V555-K581 HydrophobicContact CG1-CB 4.32Å; V555-K581 HydrophobicContact CG1-CD 4.14Å; V555-K581 HydrophobicContact CG1-CG 4.29Å; V555-K581 HydrophobicContact CG2-CB 4.22Å; V555-K581 HydrophobicContact CG2-CD 4.41Å; L556-K581 PolarHBondContact N-O 2.89Å
582	A	98.6	Very high	94.4	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	143.1	173.3	0	0	0	0	0	112.2	A330 F331 V332 L556 T571 T575	A330-A582 PolarHBondContact O-N 3Å; F331-A582 CarbonylContact C-O 3.56Å; F331-A582 WeakPolarHBondContact CA-O 3.38Å; F331-A582 HydrophobicContact CD1-CB 3.72Å; F331-A582 HydrophobicContact CD2-CB 4.38Å; F331-A582 HydrophobicContact CE1-CB 3.44Å; F331-A582 VanDerWaalsContact CE1-CB 3.44Å; F331-A582 HydrophobicContact CE2-CB 4.14Å; F331-A582 HydrophobicContact CG-CB 4.2Å; F331-A582 HydrophobicContact CZ-CB 3.67Å; V332-A582 PolarHBondContact N-O 3.22Å; L556-A582 CarbonylContact O-C 3.55Å; T571-A582 HydrophobicContact CG2-CB 4.28Å; T575-A582 HydrophobicContact CG2-CB 3.92Å
583	V	98.6	Very high	94.2	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	117.1	-178.9	-178	0	0	0	0	109.6	V332 V334 V555 L556 C557 S558 A597 F601	V332-V583 HydrophobicContact CB-CG2 4.44Å; V334-V583 HydrophobicContact CG2-CG1 3.79Å; V555-V583 HydrophobicContact CG1-CG2 3.8Å; L556-V583 PolarHBondContact O-N 3.45Å; C557-V583 WeakPolarHBondContact CA-O 3.48Å; S558-V583 PolarHBondContact N-O 3.46Å; V583-A597 HydrophobicContact CG1-CB 4.16Å; V583-F601 HydrophobicContact CG1-CB 4.39Å; V583-F601 HydrophobicContact CG1-CD2 3.83Å; V583-F601 HydrophobicContact CG1-CG 4.27Å; V583-F601 HydrophobicContact CG2-CB 3.93Å; V583-F601 HydrophobicContact CG2-CG 4.3Å
584	I	97.6	Very high	94.1	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.005	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	108	178.9	-52.6	-55.1	0	0	0	108.1	V332 F333 V334 N373 S558 T571	V332-I584 PolarHBondContact O-N 3.4Å; F333-I584 HydrophobicContact CD1-CB 3.73Å; F333-I584 HydrophobicContact CD1-CG1 3.92Å; F333-I584 HydrophobicContact CD1-CG2 3.87Å; F333-I584 HydrophobicContact CE1-CB 3.96Å; F333-I584 HydrophobicContact CE1-CG1 3.64Å; F333-I584 HydrophobicContact CE1-CG2 4.06Å; F333-I584 HydrophobicContact CG-CB 4.29Å; F333-I584 HydrophobicContact CG-CG1 4.49Å; F333-I584 HydrophobicContact CZ-CG1 3.97Å; V334-I584 WeakPolarHBondContact CG2-O 3.1Å; V334-I584 PolarHBondContact N-O 2.78Å; N373-I584 HydrophobicContact CB-CG2 3.85Å; S558-I584 WeakPolarHBondContact O-CD1 3.32Å; T571-I584 HydrophobicContact CG2-CD1 3.95Å
585	P	96.3	Very high	94.2	Very high	5 Å²	5	22.6 Å²	22.6	3%	0.032	13%	0.128	C	C	.	.			trans	-70	-38.2	-170.9	22.4	-30.6	0	0	0	114.2	P559 P589 I594 A597	P559-P585 HydrophobicContact CB-CG 3.97Å; P585-P589 HydrophobicContact CG-CB 4.01Å; P585-I594 HydrophobicContact CG-CG1 4.18Å; P585-A597 HydrophobicContact CB-CB 3.84Å
586	S	91.7	Very high	94.1	Very high	7 Å²	7	30 Å²	30	5%	0.049	16%	0.156	C	C	.	.			trans	-172.2	171.8	172.6	53.1	0	0	0	0	110.8	E335 Q588 P589	E335-S586 VanDerWaalsContact OE1-CB 3.25Å; E335-S586 WeakPolarHBondContact OE1-CB 3.18Å; E335-S586 WeakPolarHBondContact OE2-CA 3.42Å; E335-S586 WeakPolarHBondContact OE2-CB 3.37Å; S586-Q588 VanDerWaalsContact C-N 3.26Å; S586-Q588 PolarHBondContact O-N 2.76Å; S586-Q588 VanDerWaalsContact OG-C 3.27Å; S586-Q588 PolarHBondContact OG-O 3.21Å; S586-P589 WeakPolarHBondContact OG-CA 3.22Å
587	E	86.5	Confident	94.1	Very high	22 Å²	22	30 Å²	30	10%	0.103	16%	0.156	C	C	.	.	S	Bend	trans	-61.5	-37.4	168.7	-178.5	-178	-150	0	0	111.5	E335 S372 S437 A438 P589	E335-E587 PolarHBondContact OE2-N 3.48Å; S372-E587 WeakPolarHBondContact CB-OE1 3.38Å; S372-E587 VanDerWaalsContact OG-CD 3.3Å; S372-E587 PolarHBondContact OG-OE1 2.74Å; S437-E587 VanDerWaalsContact CA-OE1 3.24Å; S437-E587 WeakPolarHBondContact CA-OE1 3.48Å; S437-E587 WeakPolarHBondContact CB-OE1 3.31Å; S437-E587 PolarHBondContact OG-OE1 2.66Å; A438-E587 WeakPolarHBondContact CB-OE2 3.49Å; A438-E587 PolarHBondContact N-OE1 3.37Å; A438-E587 PolarHBondContact N-OE2 2.79Å; E587-P589 WeakPolarHBondContact O-CD 3.34Å
588	Q	81.4	Confident	94.1	Very high	87 Å²	87	28.7 Å²	28.7	41%	0.407	15%	0.15	S	C	.	.	S	Bend	trans	-125.9	77	-175.9	-51.6	-154.5	55.5	0	0	110.6	K439 S586 L590	K439-Q588 HydrophobicContact CG-CG 4.47Å; S586-Q588 VanDerWaalsContact C-N 3.26Å; S586-Q588 PolarHBondContact O-N 2.76Å; S586-Q588 VanDerWaalsContact OG-C 3.27Å; S586-Q588 PolarHBondContact OG-O 3.21Å; Q588-L590 PolarHBondContact O-N 3.32Å
589	P	80.3	Confident	94.2	Very high	39 Å²	39	30.6 Å²	30.6	25%	0.253	16%	0.159	S	C	.	.			trans	-74.4	101.9	-167.2	26.8	-33.3	0	0	0	113.8	P559 P585 S586 E587 I594	P559-P589 HydrophobicContact CB-CB 3.81Å; P559-P589 HydrophobicContact CB-CG 3.58Å; P559-P589 WeakPolarHBondContact O-CG 3.44Å; P585-P589 HydrophobicContact CG-CB 4.01Å; S586-P589 WeakPolarHBondContact OG-CA 3.22Å; E587-P589 WeakPolarHBondContact O-CD 3.34Å; P589-I594 HydrophobicContact CB-CD1 4.03Å; P589-I594 HydrophobicContact CB-CG1 3.78Å
590	L	88.4	Confident	94.2	Very high	127 Å²	127	38.2 Å²	38.2	67%	0.665	19%	0.188	S	C	*	.			trans	-70.5	147	164.1	-60.5	178	0	0	0	110.2	Q588 A592 A593 I594	Q588-L590 PolarHBondContact O-N 3.32Å; L590-A592 VanDerWaalsContact C-N 3.28Å; L590-A592 PolarHBondContact O-N 3.4Å; L590-A592 VanDerWaalsContact O-N 3.11Å; L590-A593 WeakPolarHBondContact O-CB 3.44Å; L590-A593 PolarHBondContact O-N 3.38Å; L590-I594 PolarHBondContact O-N 3.19Å
591	P	93.1	Very high	94.2	Very high	21 Å²	21	39.4 Å²	39.4	14%	0.136	19%	0.193	C	C	.	.	H	α-helix	trans	-50.7	-42.9	-176	-29.1	34.6	0	0	0	114.5	A593 I594 W595 M616 S620	P591-A593 VanDerWaalsContact C-N 3.3Å; P591-A593 PolarHBondContact O-N 3.18Å; P591-I594 WeakPolarHBondContact O-CB 3.25Å; P591-I594 PolarHBondContact O-N 3.14Å; P591-I594 VanDerWaalsContact O-N 3.16Å; P591-W595 PolarHBondContact O-N 3.25Å; P591-M616 HydrophobicContact CB-CB 4.29Å; P591-M616 HydrophobicContact CB-CG 4.03Å; P591-M616 HydrophobicContact CG-CG 3.99Å; P591-S620 WeakPolarHBondContact CB-OG 3.36Å
592	A	92.3	Very high	94.2	Very high	42 Å²	42	44.8 Å²	44.8	35%	0.347	22%	0.216	S	C	.	.	H	α-helix	trans	-65.8	-26.1	178.7	0	0	0	0	0	114.2	L590 R596	L590-A592 VanDerWaalsContact C-N 3.28Å; L590-A592 PolarHBondContact O-N 3.4Å; L590-A592 VanDerWaalsContact O-N 3.11Å; A592-R596 WeakPolarHBondContact O-CB 3.46Å; A592-R596 WeakPolarHBondContact O-CD 3.39Å; A592-R596 WeakPolarHBondContact O-CG 3.45Å; A592-R596 PolarHBondContact O-N 2.55Å
593	A	93.8	Very high	94.2	Very high	34 Å²	34	44.8 Å²	44.8	28%	0.281	22%	0.216	S	C	.	.	H	α-helix	trans	-74.9	-38.6	172.7	0	0	0	0	0	111	L590 P591 A597	L590-A593 WeakPolarHBondContact O-CB 3.44Å; L590-A593 PolarHBondContact O-N 3.38Å; P591-A593 VanDerWaalsContact C-N 3.3Å; P591-A593 PolarHBondContact O-N 3.18Å; A593-A597 WeakPolarHBondContact O-CB 3.49Å; A593-A597 PolarHBondContact O-N 3.14Å
594	I	97.1	Very high	94.2	Very high	6 Å²	6	45.9 Å²	45.9	3%	0.031	22%	0.223	C	C	.	.	H	α-helix	trans	-63	-50.4	176.4	-52.6	170.5	0	0	0	110.3	P559 P585 P589 L590 P591 R596 A597 I598 L606 M616	P559-I594 HydrophobicContact CB-CD1 3.85Å; P559-I594 HydrophobicContact CB-CG1 4.08Å; P559-I594 HydrophobicContact CG-CD1 4.11Å; P559-I594 HydrophobicContact CG-CG2 4.38Å; P585-I594 HydrophobicContact CG-CG1 4.18Å; P589-I594 HydrophobicContact CB-CD1 4.03Å; P589-I594 HydrophobicContact CB-CG1 3.78Å; L590-I594 PolarHBondContact O-N 3.19Å; P591-I594 WeakPolarHBondContact O-CB 3.25Å; P591-I594 PolarHBondContact O-N 3.14Å; P591-I594 VanDerWaalsContact O-N 3.16Å; I594-R596 PolarHBondContact O-N 3.19Å; I594-A597 PolarHBondContact O-N 3.4Å; I594-I598 HydrophobicContact CG2-CD1 3.87Å; I594-I598 WeakPolarHBondContact O-CG1 2.99Å; I594-I598 PolarHBondContact O-N 2.97Å; I594-L606 HydrophobicContact CG2-CD1 4.05Å; I594-M616 HydrophobicContact CB-CE 4.12Å; I594-M616 HydrophobicContact CD1-CE 3.71Å; I594-M616 HydrophobicContact CD1-CG 4.48Å; I594-M616 HydrophobicContact CD1-SD 3.72Å; I594-M616 HydrophobicContact CG2-CE 3.8Å
595	W	97.3	Very high	94.2	Very high	1 Å²	1	45.9 Å²	45.9	0%	0.004	22%	0.223	C	C	.	.	H	α-helix	trans	-63.9	-41.3	-179.6	-58.4	129.3	0	0	0	112.9	P591 A597 I598 E599 L606 L613 M616 F617 S620 L622 F625 L627 L630	P591-W595 PolarHBondContact O-N 3.25Å; W595-A597 VanDerWaalsContact C-N 3.31Å; W595-A597 PolarHBondContact O-N 3.47Å; W595-I598 HydrophobicContact CE3-CD1 3.63Å; W595-I598 HydrophobicContact CZ3-CD1 3.81Å; W595-I598 PolarHBondContact O-N 2.86Å; W595-E599 WeakPolarHBondContact O-CB 3.26Å; W595-E599 PolarHBondContact O-N 3.39Å; W595-L606 HydrophobicContact CH2-CD2 4.31Å; W595-L606 HydrophobicContact CZ3-CD2 4.24Å; W595-L613 HydrophobicContact CH2-CD1 3.92Å; W595-L613 HydrophobicContact CZ2-CD1 4.49Å; W595-M616 HydrophobicContact CH2-CE 3.75Å; W595-M616 HydrophobicContact CZ2-CB 3.85Å; W595-M616 HydrophobicContact CZ2-CE 3.57Å; W595-M616 HydrophobicContact CZ3-CE 4.31Å; W595-F617 AromaticContact CH2-CD1 3.95Å; W595-F617 HydrophobicContact CH2-CD1 3.95Å; W595-F617 AromaticContact CH2-CE1 3.59Å; W595-F617 HydrophobicContact CH2-CE1 3.59Å; W595-F617 AromaticContact CZ2-CD1 3.82Å; W595-F617 HydrophobicContact CZ2-CD1 3.82Å; W595-F617 AromaticContact CZ2-CE1 3.97Å; W595-F617 HydrophobicContact CZ2-CE1 3.97Å; W595-S620 PolarHBondContact NE1-OG 2.81Å; W595-L622 HydrophobicContact CD2-CD2 4.22Å; W595-L622 HydrophobicContact CH2-CD2 4.44Å; W595-L622 HydrophobicContact CZ2-CD2 3.85Å; W595-F625 HydrophobicContact CB-CD1 3.99Å; W595-F625 HydrophobicContact CB-CD2 3.69Å; W595-F625 HydrophobicContact CB-CE1 4.05Å; W595-F625 HydrophobicContact CB-CE2 3.76Å; W595-F625 HydrophobicContact CB-CG 3.81Å; W595-F625 HydrophobicContact CB-CZ 3.94Å; W595-F625 AromaticContact CD1-CE2 3.88Å; W595-F625 HydrophobicContact CG-CD2 4.12Å; W595-F625 HydrophobicContact CG-CE2 4.07Å; W595-L627 HydrophobicContact CD2-CD1 4.4Å; W595-L627 HydrophobicContact CE3-CD1 3.84Å; W595-L627 HydrophobicContact CE3-CD2 4Å; W595-L627 HydrophobicContact CZ3-CD1 4.15Å; W595-L630 HydrophobicContact CZ3-CD2 4.03Å
596	R	96.7	Very high	94.2	Very high	158 Å²	158	45.7 Å²	45.7	60%	0.596	22%	0.222	S	C	*	.	H	α-helix	trans	-62.4	-35.4	173.3	-74.2	172.6	-178.9	157.9	-0.4	113	A592 I594 R600 F625	A592-R596 WeakPolarHBondContact O-CB 3.46Å; A592-R596 WeakPolarHBondContact O-CD 3.39Å; A592-R596 WeakPolarHBondContact O-CG 3.45Å; A592-R596 PolarHBondContact O-N 2.55Å; I594-R596 PolarHBondContact O-N 3.19Å; R596-R600 WeakPolarHBondContact O-CB 3.4Å; R596-R600 PolarHBondContact O-N 3.22Å; R596-F625 HydrophobicContact CG-CD1 4.36Å; R596-F625 HydrophobicContact CG-CE1 3.82Å
597	A	97.8	Very high	94.4	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.008	22%	0.22	C	C	.	.	H	α-helix	trans	-69.2	-41.2	174.8	0	0	0	0	0	111.5	V334 V583 P585 A593 I594 W595 F601	V334-A597 HydrophobicContact CG2-CB 4.22Å; V583-A597 HydrophobicContact CG1-CB 4.16Å; P585-A597 HydrophobicContact CB-CB 3.84Å; A593-A597 WeakPolarHBondContact O-CB 3.49Å; A593-A597 PolarHBondContact O-N 3.14Å; I594-A597 PolarHBondContact O-N 3.4Å; W595-A597 VanDerWaalsContact C-N 3.31Å; W595-A597 PolarHBondContact O-N 3.47Å; A597-F601 WeakPolarHBondContact O-CB 3.26Å; A597-F601 WeakPolarHBondContact O-CD2 3.38Å; A597-F601 PolarHBondContact O-N 3.06Å
598	I	98.3	Very high	94.8	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-60.8	-49.3	175.8	-70	162.9	0	0	0	111.1	C557 I594 W595 K602 C603 L606 L627 L630	C557-I598 HydrophobicContact CB-CD1 4.38Å; C557-I598 HydrophobicContact CB-CG1 3.79Å; I594-I598 HydrophobicContact CG2-CD1 3.87Å; I594-I598 WeakPolarHBondContact O-CG1 2.99Å; I594-I598 PolarHBondContact O-N 2.97Å; W595-I598 HydrophobicContact CE3-CD1 3.63Å; W595-I598 HydrophobicContact CZ3-CD1 3.81Å; W595-I598 PolarHBondContact O-N 2.86Å; I598-K602 CarbonylContact O-C 3.51Å; I598-K602 VanDerWaalsContact O-CA 3.26Å; I598-K602 WeakPolarHBondContact O-CA 3.43Å; I598-K602 PolarHBondContact O-N 3.33Å; I598-C603 HydrophobicContact CB-CB 4.19Å; I598-C603 HydrophobicContact CG1-CB 3.99Å; I598-C603 HydrophobicContact CG2-CB 4.11Å; I598-C603 PolarHBondContact O-N 3.44Å; I598-L606 HydrophobicContact CD1-CD1 4.33Å; I598-L606 HydrophobicContact CD1-CD2 4.27Å; I598-L627 HydrophobicContact CB-CD2 4.22Å; I598-L627 HydrophobicContact CG2-CD2 3.65Å; I598-L630 HydrophobicContact CD1-CD2 4.24Å; I598-L630 HydrophobicContact CG2-CB 4.15Å; I598-L630 HydrophobicContact CG2-CD1 4.4Å; I598-L630 HydrophobicContact CG2-CD2 4.33Å
599	E	98	Very high	95.2	Very high	71 Å²	71	40.9 Å²	40.9	33%	0.332	20%	0.2	S	C	.	.	H	α-helix	trans	-60.4	-57	176	172.6	178.6	-116.7	0	0	111.8	W595 F601 K602 F625 D626	W595-E599 WeakPolarHBondContact O-CB 3.26Å; W595-E599 PolarHBondContact O-N 3.39Å; E599-F601 VanDerWaalsContact C-N 3.32Å; E599-F601 PolarHBondContact O-N 3.24Å; E599-K602 PolarHBondContact O-N 3.28Å; E599-F625 VanDerWaalsContact OE1-CA 3.3Å; E599-F625 WeakPolarHBondContact OE1-CA 3.05Å; E599-D626 HydrophobicContact CG-CB 4.35Å; E599-D626 PolarHBondContact OE1-N 3.45Å
600	R	97.9	Very high	95.7	Very high	161 Å²	161	39 Å²	39	61%	0.608	19%	0.188	S	C	*	.	H	α-helix	trans	-60.8	-37.4	-174.9	179.4	176.8	173.5	-169.7	-2.7	113.2	R596	R596-R600 WeakPolarHBondContact O-CB 3.4Å; R596-R600 PolarHBondContact O-N 3.22Å
601	F	98.1	Very high	95.6	Very high	25 Å²	25	36.5 Å²	36.5	11%	0.11	18%	0.178	C	C	.	.	H	α-helix	trans	-105.2	6.8	-176.6	-62.4	-71.9	0	0	0	113.8	V332 V334 V583 A597 E599 C603	V332-F601 HydrophobicContact CG1-CE1 3.95Å; V332-F601 HydrophobicContact CG1-CE2 3.99Å; V332-F601 HydrophobicContact CG1-CZ 3.65Å; V332-F601 HydrophobicContact CG2-CD1 4.49Å; V332-F601 HydrophobicContact CG2-CE1 4.35Å; V334-F601 HydrophobicContact CB-CE2 4.47Å; V334-F601 HydrophobicContact CG1-CE2 4.12Å; V334-F601 HydrophobicContact CG2-CD2 4.09Å; V334-F601 HydrophobicContact CG2-CE2 3.54Å; V334-F601 HydrophobicContact CG2-CZ 4.39Å; V583-F601 HydrophobicContact CG1-CB 4.39Å; V583-F601 HydrophobicContact CG1-CD2 3.83Å; V583-F601 HydrophobicContact CG1-CG 4.27Å; V583-F601 HydrophobicContact CG2-CB 3.93Å; V583-F601 HydrophobicContact CG2-CG 4.3Å; A597-F601 WeakPolarHBondContact O-CB 3.26Å; A597-F601 WeakPolarHBondContact O-CD2 3.38Å; A597-F601 PolarHBondContact O-N 3.06Å; E599-F601 VanDerWaalsContact C-N 3.32Å; E599-F601 PolarHBondContact O-N 3.24Å; F601-C603 VanDerWaalsContact C-N 3.3Å; F601-C603 PolarHBondContact O-N 2.82Å
602	K	98.2	Very high	95.4	Very high	133 Å²	133	37.1 Å²	37.1	58%	0.578	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.3	46.2	177.8	-67.7	-165	176.2	-162.2	0	112.7	I598 E599 T604 T629	I598-K602 CarbonylContact O-C 3.51Å; I598-K602 VanDerWaalsContact O-CA 3.26Å; I598-K602 WeakPolarHBondContact O-CA 3.43Å; I598-K602 PolarHBondContact O-N 3.33Å; E599-K602 PolarHBondContact O-N 3.28Å; K602-T604 PolarHBondContact O-N 3.21Å; K602-T629 VanDerWaalsContact C-OG1 3.3Å; K602-T629 HydrophobicContact CB-CG2 3.98Å; K602-T629 HydrophobicContact CD-CG2 4.32Å; K602-T629 HydrophobicContact CG-CG2 4.21Å
603	C	98.6	Very high	95.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.168	C	C	.	.			trans	-61.7	135.7	-177.1	-61.4	0	0	0	0	110.9	V555 C557 I598 F601 T629	V555-C603 HydrophobicContact CG1-CB 4.34Å; V555-C603 CarbonylContact O-C 3.59Å; V555-C603 WeakPolarHBondContact O-CA 3.48Å; C557-C603 HydrophobicContact CB-CB 4.07Å; I598-C603 HydrophobicContact CB-CB 4.19Å; I598-C603 HydrophobicContact CG1-CB 3.99Å; I598-C603 HydrophobicContact CG2-CB 4.11Å; I598-C603 PolarHBondContact O-N 3.44Å; F601-C603 VanDerWaalsContact C-N 3.3Å; F601-C603 PolarHBondContact O-N 2.82Å; C603-T629 CarbonylContact O-C 3.59Å; C603-T629 PolarHBondContact O-OG1 3.19Å
604	T	98.2	Very high	95.4	Very high	23 Å²	23	33.6 Å²	33.6	14%	0.141	16%	0.155	C	C	.	.	S	Bend	trans	-98.7	-28.6	-180	62.4	0	0	0	0	112.4	Q554 V555 K602 T629 T631 T632	Q554-T604 WeakPolarHBondContact CA-OG1 3.45Å; Q554-T604 PolarHBondContact OE1-OG1 3.3Å; V555-T604 PolarHBondContact N-OG1 3.47Å; V555-T604 PolarHBondContact O-N 3.4Å; K602-T604 PolarHBondContact O-N 3.21Å; T604-T629 WeakPolarHBondContact CA-O 3.16Å; T604-T631 PolarHBondContact O-N 2.93Å; T604-T631 VanDerWaalsContact O-N 3.16Å; T604-T632 PolarHBondContact O-N 2.91Å
605	C	97.5	Very high	95	Very high	1 Å²	1	39 Å²	39	1%	0.007	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	137	178.6	-178.8	0	0	0	0	111.4	V555 L556 C557 T632	V555-C605 PolarHBondContact O-N 2.93Å; V555-C605 VanDerWaalsContact O-N 3.16Å; L556-C605 CarbonylContact C-O 3.45Å; L556-C605 WeakPolarHBondContact CA-O 3.43Å; L556-C605 HydrophobicContact CG-CB 4.23Å; C557-C605 PolarHBondContact N-O 3.37Å; C605-T632 VanDerWaalsContact CA-O 3.31Å; C605-T632 WeakPolarHBondContact CA-O 3.31Å; C605-T632 HydrophobicContact CB-CG2 4.3Å
606	L	97.5	Very high	94.8	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	123.5	168.7	171.1	59.5	0	0	0	110.3	C557 P559 I594 W595 I598 T608 L613 M616 L630 T632 A633 C634	C557-L606 HydrophobicContact CB-CD1 4.16Å; P559-L606 HydrophobicContact CG-CD1 3.99Å; I594-L606 HydrophobicContact CG2-CD1 4.05Å; W595-L606 HydrophobicContact CH2-CD2 4.31Å; W595-L606 HydrophobicContact CZ3-CD2 4.24Å; I598-L606 HydrophobicContact CD1-CD1 4.33Å; I598-L606 HydrophobicContact CD1-CD2 4.27Å; L606-T608 HydrophobicContact CD2-CG2 4.09Å; L606-T608 HydrophobicContact CG-CG2 3.94Å; L606-L613 HydrophobicContact CD2-CD1 3.92Å; L606-M616 HydrophobicContact CD2-CE 4.02Å; L606-L630 HydrophobicContact CB-CD1 3.85Å; L606-T632 PolarHBondContact N-O 3Å; L606-A633 WeakPolarHBondContact O-CA 3.42Å; L606-C634 PolarHBondContact O-N 3.13Å
607	L	95.9	Very high	94.7	Very high	4 Å²	4	32.7 Å²	32.7	2%	0.021	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	114.3	170.9	173.3	55.2	0	0	0	110.1	C557 P559 L560 V567 L570 C634 A636	C557-L607 PolarHBondContact O-N 3.34Å; P559-L607 VanDerWaalsContact CD-O 3.27Å; P559-L607 WeakPolarHBondContact CD-O 3.43Å; P559-L607 WeakPolarHBondContact CG-O 3.06Å; L560-L607 HydrophobicContact CD1-CD1 3.97Å; L560-L607 HydrophobicContact CD1-CG 3.94Å; L560-L607 HydrophobicContact CG-CG 4.39Å; V567-L607 HydrophobicContact CG1-CD2 4.31Å; L570-L607 HydrophobicContact CB-CD2 3.75Å; L570-L607 HydrophobicContact CD1-CD1 3.67Å; L570-L607 HydrophobicContact CD1-CD2 4.04Å; L607-C634 WeakPolarHBondContact CA-O 3.39Å; L607-C634 HydrophobicContact CD1-CB 3.92Å; L607-A636 HydrophobicContact CD1-CB 4.43Å
608	T	94.5	Very high	94.4	Very high	3 Å²	3	39.5 Å²	39.5	2%	0.018	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	-169.7	-177.7	-170.4	0	0	0	0	110.3	L606 A612 L613 C634 L635 A636	L606-T608 HydrophobicContact CD2-CG2 4.09Å; L606-T608 HydrophobicContact CG-CG2 3.94Å; T608-A612 WeakPolarHBondContact OG1-CB 3.44Å; T608-L613 HydrophobicContact CG2-CB 3.82Å; T608-L613 HydrophobicContact CG2-CD1 4.46Å; T608-L613 HydrophobicContact CG2-CD2 4.39Å; T608-L613 HydrophobicContact CG2-CG 4.45Å; T608-C634 PolarHBondContact N-O 2.88Å; T608-L635 HydrophobicContact CG2-CD2 3.7Å; T608-L635 CarbonylContact O-C 3.53Å; T608-L635 WeakPolarHBondContact O-CA 3.34Å; T608-A636 PolarHBondContact O-N 3Å
609	S	90.5	Very high	94	Very high	9 Å²	9	44.8 Å²	44.8	6%	0.063	21%	0.209	C	C	.	.			trans	-106.8	156.4	166.5	88.8	0	0	0	0	111.1	V611 A612 L613 A636 D638	S609-V611 VanDerWaalsContact C-N 3.26Å; S609-V611 PolarHBondContact O-N 3.21Å; S609-A612 PolarHBondContact O-N 2.79Å; S609-A612 PolarHBondContact OG-N 3.47Å; S609-A612 VanDerWaalsContact OG-N 3.16Å; S609-L613 PolarHBondContact O-N 3.26Å; S609-A636 WeakPolarHBondContact CB-O 3.29Å; S609-D638 WeakPolarHBondContact CB-OD2 3.49Å; S609-D638 PolarHBondContact OG-OD2 3.32Å
610	P	89.9	Confident	93.8	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-53.1	-42.5	174.9	-27.6	34.5	0	0	0	113.4	S614 L635 D638 F640 P641 L644	P610-S614 WeakPolarHBondContact O-CB 3.36Å; P610-S614 PolarHBondContact O-N 3.29Å; P610-L635 HydrophobicContact CG-CB 3.91Å; P610-L635 HydrophobicContact CG-CD1 4.41Å; P610-D638 WeakPolarHBondContact CG-O 3.19Å; P610-F640 HydrophobicContact CB-CD2 4.41Å; P610-F640 HydrophobicContact CB-CG 4.48Å; P610-F640 HydrophobicContact CG-CD2 4.35Å; P610-P641 VanDerWaalsContact CB-CD 3.45Å; P610-L644 HydrophobicContact CB-CD2 3.92Å
611	V	86.2	Confident	93.5	Very high	74 Å²	74	38.3 Å²	38.3	45%	0.448	19%	0.19	S	C	.	.	H	α-helix	trans	-66.9	-43.6	178.9	176.9	0	0	0	0	110.9	S609 S614 F615 D638 P641	S609-V611 VanDerWaalsContact C-N 3.26Å; S609-V611 PolarHBondContact O-N 3.21Å; V611-S614 PolarHBondContact O-N 3.01Å; V611-F615 WeakPolarHBondContact O-CB 3.04Å; V611-F615 PolarHBondContact O-N 3.24Å; V611-D638 HydrophobicContact CB-CB 4.33Å; V611-D638 HydrophobicContact CG2-CB 3.74Å; V611-P641 HydrophobicContact CG2-CG 4.27Å
612	A	89.5	Confident	93.3	Very high	34 Å²	34	39.4 Å²	39.4	28%	0.281	20%	0.197	S	C	.	.	H	α-helix	trans	-63.9	-44	177.3	0	0	0	0	0	112.1	T608 S609 F615 M616	T608-A612 WeakPolarHBondContact OG1-CB 3.44Å; S609-A612 PolarHBondContact O-N 2.79Å; S609-A612 PolarHBondContact OG-N 3.47Å; S609-A612 VanDerWaalsContact OG-N 3.16Å; A612-F615 PolarHBondContact O-N 2.97Å; A612-M616 WeakPolarHBondContact O-CB 3.48Å; A612-M616 WeakPolarHBondContact O-CG 3.35Å; A612-M616 PolarHBondContact O-N 3.33Å
613	L	93.9	Very high	93	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-64.5	-43.5	176.5	-173.1	55.9	0	0	0	112	W595 L606 T608 S609 F615 M616 F617 L635 L644 L648	W595-L613 HydrophobicContact CH2-CD1 3.92Å; W595-L613 HydrophobicContact CZ2-CD1 4.49Å; L606-L613 HydrophobicContact CD2-CD1 3.92Å; T608-L613 HydrophobicContact CG2-CB 3.82Å; T608-L613 HydrophobicContact CG2-CD1 4.46Å; T608-L613 HydrophobicContact CG2-CD2 4.39Å; T608-L613 HydrophobicContact CG2-CG 4.45Å; S609-L613 PolarHBondContact O-N 3.26Å; L613-F615 PolarHBondContact O-N 3.22Å; L613-M616 HydrophobicContact CD1-CE 4.38Å; L613-M616 PolarHBondContact O-N 3.07Å; L613-F617 HydrophobicContact CD1-CD1 4.22Å; L613-F617 HydrophobicContact CD1-CD2 4.32Å; L613-F617 HydrophobicContact CD1-CE1 3.79Å; L613-F617 HydrophobicContact CD1-CE2 3.89Å; L613-F617 HydrophobicContact CD1-CG 4.49Å; L613-F617 HydrophobicContact CD1-CZ 3.61Å; L613-F617 HydrophobicContact CD2-CE2 3.96Å; L613-F617 HydrophobicContact CD2-CZ 4.08Å; L613-F617 HydrophobicContact CG-CD2 4.04Å; L613-F617 HydrophobicContact CG-CE1 4.43Å; L613-F617 HydrophobicContact CG-CE2 3.6Å; L613-F617 HydrophobicContact CG-CZ 3.83Å; L613-F617 WeakPolarHBondContact O-CG 3.05Å; L613-F617 PolarHBondContact O-N 3.48Å; L613-L635 HydrophobicContact CB-CD2 4.49Å; L613-L635 HydrophobicContact CD2-CD2 3.82Å; L613-L644 HydrophobicContact CB-CD1 4.4Å; L613-L644 HydrophobicContact CD2-CD1 4.25Å; L613-L644 HydrophobicContact CG-CD1 4.07Å; L613-L648 HydrophobicContact CD2-CD2 4Å
614	S	91	Very high	92.8	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.014	23%	0.233	C	C	.	.	H	α-helix	trans	-63.7	-28.1	176.6	-173	0	0	0	0	112.7	P610 V611 R618 D643 M647	P610-S614 WeakPolarHBondContact O-CB 3.36Å; P610-S614 PolarHBondContact O-N 3.29Å; V611-S614 PolarHBondContact O-N 3.01Å; S614-R618 WeakPolarHBondContact O-CG 3.28Å; S614-R618 PolarHBondContact O-NE 2.92Å; S614-R618 PolarHBondContact OG-NH2 3.05Å; S614-D643 PolarHBondContact OG-OD1 3.22Å; S614-D643 VanDerWaalsContact OG-OD1 3.06Å; S614-M647 VanDerWaalsContact OG-CE 3.25Å; S614-M647 WeakPolarHBondContact OG-CE 3.39Å
615	F	89.9	Confident	92.7	Very high	120 Å²	120	45.2 Å²	45.2	53%	0.526	23%	0.233	S	C	.	.	H	α-helix	trans	-77.2	-44.3	170	179.6	-107.4	0	0	0	112.3	V611 A612 L613 F617 R618 L619	V611-F615 WeakPolarHBondContact O-CB 3.04Å; V611-F615 PolarHBondContact O-N 3.24Å; A612-F615 PolarHBondContact O-N 2.97Å; L613-F615 PolarHBondContact O-N 3.22Å; F615-F617 PolarHBondContact O-N 3.1Å; F615-R618 PolarHBondContact O-N 2.81Å; F615-L619 HydrophobicContact CD1-CD1 4.21Å; F615-L619 HydrophobicContact CD2-CD1 4.49Å; F615-L619 HydrophobicContact CE1-CD1 3.53Å; F615-L619 HydrophobicContact CE1-CG 4.43Å; F615-L619 HydrophobicContact CE2-CD1 3.86Å; F615-L619 HydrophobicContact CE2-CG 4.24Å; F615-L619 HydrophobicContact CZ-CD1 3.34Å; F615-L619 HydrophobicContact CZ-CG 4.19Å; F615-L619 PolarHBondContact O-N 3.14Å; F615-L619 VanDerWaalsContact O-N 3.13Å
616	M	93.7	Very high	92.7	Very high	7 Å²	7	49 Å²	49	3%	0.034	25%	0.254	C	S	.	.	H	α-helix	trans	-57.5	-46.6	177	-72.4	162.3	56.3	0	0	111.7	P591 I594 W595 L606 A612 L613 R618 L619 S620	P591-M616 HydrophobicContact CB-CB 4.29Å; P591-M616 HydrophobicContact CB-CG 4.03Å; P591-M616 HydrophobicContact CG-CG 3.99Å; I594-M616 HydrophobicContact CB-CE 4.12Å; I594-M616 HydrophobicContact CD1-CE 3.71Å; I594-M616 HydrophobicContact CD1-CG 4.48Å; I594-M616 HydrophobicContact CD1-SD 3.72Å; I594-M616 HydrophobicContact CG2-CE 3.8Å; W595-M616 HydrophobicContact CH2-CE 3.75Å; W595-M616 HydrophobicContact CZ2-CB 3.85Å; W595-M616 HydrophobicContact CZ2-CE 3.57Å; W595-M616 HydrophobicContact CZ3-CE 4.31Å; L606-M616 HydrophobicContact CD2-CE 4.02Å; A612-M616 WeakPolarHBondContact O-CB 3.48Å; A612-M616 WeakPolarHBondContact O-CG 3.35Å; A612-M616 PolarHBondContact O-N 3.33Å; L613-M616 HydrophobicContact CD1-CE 4.38Å; L613-M616 PolarHBondContact O-N 3.07Å; M616-R618 VanDerWaalsContact C-N 3.32Å; M616-R618 PolarHBondContact O-N 3.13Å; M616-L619 PolarHBondContact O-N 2.91Å; M616-S620 WeakPolarHBondContact O-CB 3.34Å; M616-S620 PolarHBondContact O-N 3.03Å; M616-S620 VanDerWaalsContact O-N 3.12Å; M616-S620 PolarHBondContact O-OG 3.17Å
617	F	94.3	Very high	92.6	Very high	19 Å²	19	50.2 Å²	50.2	8%	0.083	26%	0.26	C	S	.	.	H	α-helix	trans	-62.5	-33.2	177.3	-70.7	-30.1	0	0	0	113.5	W595 L613 F615 L622 L644 M647 L648 T651 I653	W595-F617 AromaticContact CH2-CD1 3.95Å; W595-F617 HydrophobicContact CH2-CD1 3.95Å; W595-F617 AromaticContact CH2-CE1 3.59Å; W595-F617 HydrophobicContact CH2-CE1 3.59Å; W595-F617 AromaticContact CZ2-CD1 3.82Å; W595-F617 HydrophobicContact CZ2-CD1 3.82Å; W595-F617 AromaticContact CZ2-CE1 3.97Å; W595-F617 HydrophobicContact CZ2-CE1 3.97Å; L613-F617 HydrophobicContact CD1-CD1 4.22Å; L613-F617 HydrophobicContact CD1-CD2 4.32Å; L613-F617 HydrophobicContact CD1-CE1 3.79Å; L613-F617 HydrophobicContact CD1-CE2 3.89Å; L613-F617 HydrophobicContact CD1-CG 4.49Å; L613-F617 HydrophobicContact CD1-CZ 3.61Å; L613-F617 HydrophobicContact CD2-CE2 3.96Å; L613-F617 HydrophobicContact CD2-CZ 4.08Å; L613-F617 HydrophobicContact CG-CD2 4.04Å; L613-F617 HydrophobicContact CG-CE1 4.43Å; L613-F617 HydrophobicContact CG-CE2 3.6Å; L613-F617 HydrophobicContact CG-CZ 3.83Å; L613-F617 WeakPolarHBondContact O-CG 3.05Å; L613-F617 PolarHBondContact O-N 3.48Å; F615-F617 PolarHBondContact O-N 3.1Å; F617-L622 HydrophobicContact CD1-CD1 3.75Å; F617-L622 HydrophobicContact CD1-CD2 4.26Å; F617-L622 HydrophobicContact CE1-CD1 3.91Å; F617-L644 HydrophobicContact CD2-CD1 3.7Å; F617-L644 HydrophobicContact CE2-CD1 3.68Å; F617-M647 HydrophobicContact CB-CB 4.41Å; F617-M647 HydrophobicContact CB-CE 4.36Å; F617-M647 HydrophobicContact CB-SD 3.66Å; F617-M647 HydrophobicContact CD2-CB 3.58Å; F617-M647 HydrophobicContact CD2-CE 4.42Å; F617-M647 HydrophobicContact CD2-SD 4.32Å; F617-M647 HydrophobicContact CE2-CB 4.11Å; F617-M647 HydrophobicContact CG-CB 4.29Å; F617-M647 HydrophobicContact CG-SD 4.49Å; F617-L648 HydrophobicContact CE2-CD2 3.95Å; F617-L648 HydrophobicContact CE2-CG 4.16Å; F617-L648 HydrophobicContact CZ-CD2 4.15Å; F617-T651 HydrophobicContact CE1-CG2 4.1Å; F617-T651 HydrophobicContact CZ-CG2 3.91Å; F617-I653 HydrophobicContact CZ-CD1 4.33Å
618	R	90.6	Very high	92.7	Very high	143 Å²	143	53.2 Å²	53.2	54%	0.54	28%	0.281	S	S	.	.	H	α-helix	trans	-73.9	-33.1	176.9	-73.4	178.1	-125.4	-120.1	5.9	113.7	S614 F615 M616 D643 M647	S614-R618 WeakPolarHBondContact O-CG 3.28Å; S614-R618 PolarHBondContact O-NE 2.92Å; S614-R618 PolarHBondContact OG-NH2 3.05Å; F615-R618 PolarHBondContact O-N 2.81Å; M616-R618 VanDerWaalsContact C-N 3.32Å; M616-R618 PolarHBondContact O-N 3.13Å; R618-D643 IonicContact CZ-OD1 2.73Å; R618-D643 IonicContact CZ-OD2 2.67Å; R618-D643 IonicContact NH1-OD2 2.85Å; R618-D643 PolarHBondContact NH1-OD2 3.26Å; R618-D643 IonicContact NH2-OD1 3.19Å; R618-D643 PolarHBondContact NH2-OD1 3.39Å; R618-D643 IonicContact NH2-OD2 2.71Å; R618-D643 PolarHBondContact NH2-OD2 2.78Å; R618-M647 HydrophobicContact CG-SD 4.34Å
619	L	90.7	Very high	92.8	Very high	111 Å²	111	54.7 Å²	54.7	58%	0.581	29%	0.29	S	S	*	.	H	α-helix	trans	-88.2	-8.3	180	-67.3	-167.5	0	0	0	114.1	F615 M616	F615-L619 HydrophobicContact CD1-CD1 4.21Å; F615-L619 HydrophobicContact CD2-CD1 4.49Å; F615-L619 HydrophobicContact CE1-CD1 3.53Å; F615-L619 HydrophobicContact CE1-CG 4.43Å; F615-L619 HydrophobicContact CE2-CD1 3.86Å; F615-L619 HydrophobicContact CE2-CG 4.24Å; F615-L619 HydrophobicContact CZ-CD1 3.34Å; F615-L619 HydrophobicContact CZ-CG 4.19Å; F615-L619 PolarHBondContact O-N 3.14Å; F615-L619 VanDerWaalsContact O-N 3.13Å; M616-L619 PolarHBondContact O-N 2.91Å
620	S	93.1	Very high	93.2	Very high	18 Å²	18	54.5 Å²	54.5	13%	0.126	29%	0.288	C	S	.	.			trans	-121.6	119.6	-169.1	-47.8	0	0	0	0	111.7	P591 W595 M616 L622	P591-S620 WeakPolarHBondContact CB-OG 3.36Å; W595-S620 PolarHBondContact NE1-OG 2.81Å; M616-S620 WeakPolarHBondContact O-CB 3.34Å; M616-S620 PolarHBondContact O-N 3.03Å; M616-S620 VanDerWaalsContact O-N 3.12Å; M616-S620 PolarHBondContact O-OG 3.17Å; S620-L622 PolarHBondContact O-N 3.36Å; S620-L622 VanDerWaalsContact O-N 3.09Å
621	D	92.4	Very high	93.5	Very high	78 Å²	78	57.1 Å²	57.1	42%	0.417	30%	0.304	S	S	.	.			trans	-72.2	98.4	161.7	177	5.3	0	0	0	108.9	S623 K624	D621-S623 VanDerWaalsContact CG-OG 3.29Å; D621-S623 PolarHBondContact O-N 3.03Å; D621-S623 WeakPolarHBondContact OD1-CB 3.39Å; D621-S623 PolarHBondContact OD1-N 3.47Å; D621-S623 VanDerWaalsContact OD1-N 3.11Å; D621-S623 PolarHBondContact OD1-OG 2.95Å; D621-S623 PolarHBondContact OD2-OG 3.41Å; D621-K624 HydrophobicContact CB-CD 4.36Å; D621-K624 HydrophobicContact CB-CG 4.43Å; D621-K624 PolarHBondContact O-N 2.82Å; D621-K624 IonicContact OD2-NZ 3.19Å; D621-K624 PolarHBondContact OD2-NZ 2.92Å
622	L	92.3	Very high	93.9	Very high	48 Å²	48	54 Å²	54	25%	0.251	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-66.7	-16.4	-176.8	-56.4	-178.1	0	0	0	113.3	W595 F617 S620 K624 F625 L627 T651	W595-L622 HydrophobicContact CD2-CD2 4.22Å; W595-L622 HydrophobicContact CH2-CD2 4.44Å; W595-L622 HydrophobicContact CZ2-CD2 3.85Å; F617-L622 HydrophobicContact CD1-CD1 3.75Å; F617-L622 HydrophobicContact CD1-CD2 4.26Å; F617-L622 HydrophobicContact CE1-CD1 3.91Å; S620-L622 PolarHBondContact O-N 3.36Å; S620-L622 VanDerWaalsContact O-N 3.09Å; L622-K624 PolarHBondContact O-N 3.25Å; L622-K624 VanDerWaalsContact O-N 3.12Å; L622-F625 PolarHBondContact O-N 3.48Å; L622-L627 HydrophobicContact CB-CD1 4.41Å; L622-L627 HydrophobicContact CD2-CD1 4.08Å; L622-T651 HydrophobicContact CD1-CG2 4.26Å
623	S	92.7	Very high	94.1	Very high	103 Å²	103	52.4 Å²	52.4	72%	0.72	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-67	-10.6	177.3	72.2	0	0	0	0	113.5	D621	D621-S623 VanDerWaalsContact CG-OG 3.29Å; D621-S623 PolarHBondContact O-N 3.03Å; D621-S623 WeakPolarHBondContact OD1-CB 3.39Å; D621-S623 PolarHBondContact OD1-N 3.47Å; D621-S623 VanDerWaalsContact OD1-N 3.11Å; D621-S623 PolarHBondContact OD1-OG 2.95Å; D621-S623 PolarHBondContact OD2-OG 3.41Å
624	K	94.7	Very high	94.2	Very high	141 Å²	141	52.5 Å²	52.5	61%	0.613	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-87.4	1.8	178.4	-63.8	-174.4	167	80.8	0	114.6	D621 L622	D621-K624 HydrophobicContact CB-CD 4.36Å; D621-K624 HydrophobicContact CB-CG 4.43Å; D621-K624 PolarHBondContact O-N 2.82Å; D621-K624 IonicContact OD2-NZ 3.19Å; D621-K624 PolarHBondContact OD2-NZ 2.92Å; L622-K624 PolarHBondContact O-N 3.25Å; L622-K624 VanDerWaalsContact O-N 3.12Å
625	F	95.9	Very high	94.2	Very high	35 Å²	35	52.4 Å²	52.4	15%	0.154	27%	0.272	C	S	.	.	S	Bend	trans	-138.1	139.3	-175.7	-50.5	-74.5	0	0	0	111.8	W595 R596 E599 L622 L627	W595-F625 HydrophobicContact CB-CD1 3.99Å; W595-F625 HydrophobicContact CB-CD2 3.69Å; W595-F625 HydrophobicContact CB-CE1 4.05Å; W595-F625 HydrophobicContact CB-CE2 3.76Å; W595-F625 HydrophobicContact CB-CG 3.81Å; W595-F625 HydrophobicContact CB-CZ 3.94Å; W595-F625 AromaticContact CD1-CE2 3.88Å; W595-F625 HydrophobicContact CG-CD2 4.12Å; W595-F625 HydrophobicContact CG-CE2 4.07Å; R596-F625 HydrophobicContact CG-CD1 4.36Å; R596-F625 HydrophobicContact CG-CE1 3.82Å; E599-F625 VanDerWaalsContact OE1-CA 3.3Å; E599-F625 WeakPolarHBondContact OE1-CA 3.05Å; L622-F625 PolarHBondContact O-N 3.48Å; F625-L627 HydrophobicContact CB-CD2 3.97Å; F625-L627 HydrophobicContact CB-CG 3.98Å; F625-L627 PolarHBondContact O-N 3.15Å
626	D	96.7	Very high	94	Very high	81 Å²	81	47.4 Å²	47.4	43%	0.433	25%	0.253	S	S	.	.			trans	-74.5	102.1	164.5	-177.2	7.8	0	0	0	110.2	E599 S628	E599-D626 HydrophobicContact CG-CB 4.35Å; E599-D626 PolarHBondContact OE1-N 3.45Å; D626-S628 WeakPolarHBondContact OD1-CB 3.19Å; D626-S628 PolarHBondContact OD1-N 2.9Å; D626-S628 PolarHBondContact OD1-OG 2.82Å; D626-S628 PolarHBondContact OD2-OG 2.88Å
627	L	97	Very high	93.1	Very high	25 Å²	25	49.4 Å²	49.4	13%	0.131	28%	0.276	C	S	.	.			trans	-108.5	25.2	174.6	-53	179.1	0	0	0	111.7	W595 I598 L622 F625 T629 L630 N652	W595-L627 HydrophobicContact CD2-CD1 4.4Å; W595-L627 HydrophobicContact CE3-CD1 3.84Å; W595-L627 HydrophobicContact CE3-CD2 4Å; W595-L627 HydrophobicContact CZ3-CD1 4.15Å; I598-L627 HydrophobicContact CB-CD2 4.22Å; I598-L627 HydrophobicContact CG2-CD2 3.65Å; L622-L627 HydrophobicContact CB-CD1 4.41Å; L622-L627 HydrophobicContact CD2-CD1 4.08Å; F625-L627 HydrophobicContact CB-CD2 3.97Å; F625-L627 HydrophobicContact CB-CG 3.98Å; F625-L627 PolarHBondContact O-N 3.15Å; L627-T629 PolarHBondContact O-N 3.35Å; L627-L630 PolarHBondContact O-N 2.9Å; L627-N652 PolarHBondContact O-ND2 2.89Å
628	S	96.8	Very high	92.2	Very high	67 Å²	67	51.3 Å²	51.3	47%	0.469	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-28.6	179.5	58.1	0	0	0	0	113.9	D626 N652	D626-S628 WeakPolarHBondContact OD1-CB 3.19Å; D626-S628 PolarHBondContact OD1-N 2.9Å; D626-S628 PolarHBondContact OD1-OG 2.82Å; D626-S628 PolarHBondContact OD2-OG 2.88Å; S628-N652 WeakPolarHBondContact CA-ND2 3.42Å
629	T	97.8	Very high	91.6	Very high	34 Å²	34	49.7 Å²	49.7	21%	0.209	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-18.3	-177.6	61.4	0	0	0	0	114	K602 C603 T604 L627 T631	K602-T629 VanDerWaalsContact C-OG1 3.3Å; K602-T629 HydrophobicContact CB-CG2 3.98Å; K602-T629 HydrophobicContact CD-CG2 4.32Å; K602-T629 HydrophobicContact CG-CG2 4.21Å; C603-T629 CarbonylContact O-C 3.59Å; C603-T629 PolarHBondContact O-OG1 3.19Å; T604-T629 WeakPolarHBondContact CA-O 3.16Å; L627-T629 PolarHBondContact O-N 3.35Å; T629-T631 PolarHBondContact O-N 2.75Å
630	L	97.8	Very high	91.3	Very high	5 Å²	5	45 Å²	45	3%	0.026	27%	0.269	C	S	.	.			trans	-80.9	91.1	-172.4	-175	69.4	0	0	0	110.9	W595 I598 L606 L627 N652 I653	W595-L630 HydrophobicContact CZ3-CD2 4.03Å; I598-L630 HydrophobicContact CD1-CD2 4.24Å; I598-L630 HydrophobicContact CG2-CB 4.15Å; I598-L630 HydrophobicContact CG2-CD1 4.4Å; I598-L630 HydrophobicContact CG2-CD2 4.33Å; L606-L630 HydrophobicContact CB-CD1 3.85Å; L627-L630 PolarHBondContact O-N 2.9Å; L630-N652 CarbonylContact O-C 3.56Å; L630-I653 HydrophobicContact CD2-CD1 3.92Å; L630-I653 HydrophobicContact CD2-CG1 4.21Å; L630-I653 HydrophobicContact CG-CD1 4.25Å; L630-I653 HydrophobicContact CG-CG1 4.06Å; L630-I653 WeakPolarHBondContact O-CG1 3.24Å; L630-I653 PolarHBondContact O-N 3.12Å
631	T	96.2	Very high	90.9	Very high	54 Å²	54	45.2 Å²	45.2	33%	0.331	27%	0.27	S	S	.	.			trans	-102.6	-19.1	-176.7	54.6	0	0	0	0	114.2	T604 T629 N652 I653 T654 N655	T604-T631 PolarHBondContact O-N 2.93Å; T604-T631 VanDerWaalsContact O-N 3.16Å; T629-T631 PolarHBondContact O-N 2.75Å; T631-N652 WeakPolarHBondContact CA-O 3.4Å; T631-I653 CarbonylContact O-C 3.59Å; T631-I653 WeakPolarHBondContact O-CA 3.29Å; T631-T654 PolarHBondContact O-N 2.83Å; T631-N655 PolarHBondContact O-N 2.95Å; T631-N655 VanDerWaalsContact O-N 3.08Å
632	T	95.1	Very high	90.4	Very high	10 Å²	10	45.6 Å²	45.6	6%	0.061	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	141.3	-174.5	-57.3	0	0	0	0	112.2	L548 T604 C605 L606 N655	L548-T632 HydrophobicContact CD2-CG2 3.73Å; T604-T632 PolarHBondContact O-N 2.91Å; C605-T632 VanDerWaalsContact CA-O 3.31Å; C605-T632 WeakPolarHBondContact CA-O 3.31Å; C605-T632 HydrophobicContact CB-CG2 4.3Å; L606-T632 PolarHBondContact N-O 3Å; T632-N655 CarbonylContact C-O 3.47Å; T632-N655 VanDerWaalsContact CA-O 3.27Å; T632-N655 WeakPolarHBondContact CA-O 3.36Å; T632-N655 HydrophobicContact CG2-CB 4.15Å
633	A	94.4	Very high	90	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	127	168.3	0	0	0	0	0	111.3	L606 L635 I653 N655 V657	L606-A633 WeakPolarHBondContact O-CA 3.42Å; A633-L635 HydrophobicContact CB-CD2 4.14Å; A633-L635 HydrophobicContact CB-CG 4.28Å; A633-I653 HydrophobicContact CB-CD1 4.49Å; A633-I653 HydrophobicContact CB-CG2 3.73Å; A633-N655 PolarHBondContact N-O 2.98Å; A633-V657 PolarHBondContact O-N 2.91Å
634	C	94.5	Very high	89.9	Confident	2 Å²	2	41.3 Å²	41.3	1%	0.014	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	118.4	167.2	-169.1	0	0	0	0	108.7	L548 L570 L606 L607 T608 V657	L548-C634 HydrophobicContact CD1-CB 4.19Å; L548-C634 HydrophobicContact CD2-CB 3.8Å; L570-C634 VanDerWaalsContact CD1-SG 3.59Å; L606-C634 PolarHBondContact O-N 3.13Å; L607-C634 WeakPolarHBondContact CA-O 3.39Å; L607-C634 HydrophobicContact CD1-CB 3.92Å; T608-C634 PolarHBondContact N-O 2.88Å; C634-V657 WeakPolarHBondContact CA-O 3.18Å
635	L	92.4	Very high	89.5	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	106.6	-170	-60.6	-176.2	0	0	0	110.6	T608 P610 L613 A633 F640 L644 I656 V657 T658	T608-L635 HydrophobicContact CG2-CD2 3.7Å; T608-L635 CarbonylContact O-C 3.53Å; T608-L635 WeakPolarHBondContact O-CA 3.34Å; P610-L635 HydrophobicContact CG-CB 3.91Å; P610-L635 HydrophobicContact CG-CD1 4.41Å; L613-L635 HydrophobicContact CB-CD2 4.49Å; L613-L635 HydrophobicContact CD2-CD2 3.82Å; A633-L635 HydrophobicContact CB-CD2 4.14Å; A633-L635 HydrophobicContact CB-CG 4.28Å; L635-F640 HydrophobicContact CD1-CD2 4.31Å; L635-F640 HydrophobicContact CD1-CE2 3.74Å; L635-L644 HydrophobicContact CD1-CD2 4.43Å; L635-I656 HydrophobicContact CD1-CG2 3.77Å; L635-I656 HydrophobicContact CG-CG2 4.44Å; L635-V657 PolarHBondContact N-O 3.03Å; L635-T658 WeakPolarHBondContact O-CA 3.4Å; L635-T658 PolarHBondContact O-OG1 3.12Å
636	A	85.5	Confident	89.1	Confident	14 Å²	14	36.2 Å²	36.2	12%	0.116	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	130.8	-167.5	0	0	0	0	0	114.4	L560 L607 T608 S609 D638 F661	L560-A636 HydrophobicContact CD1-CB 4.48Å; L607-A636 HydrophobicContact CD1-CB 4.43Å; T608-A636 PolarHBondContact O-N 3Å; S609-A636 WeakPolarHBondContact CB-O 3.29Å; A636-D638 PolarHBondContact O-N 3.42Å; A636-F661 VanDerWaalsContact CA-CE2 3.49Å; A636-F661 HydrophobicContact CB-CD1 4.34Å; A636-F661 HydrophobicContact CB-CD2 3.62Å; A636-F661 HydrophobicContact CB-CE1 4.2Å; A636-F661 HydrophobicContact CB-CE2 3.46Å; A636-F661 VanDerWaalsContact CB-CE2 3.46Å; A636-F661 HydrophobicContact CB-CG 4.06Å; A636-F661 HydrophobicContact CB-CZ 3.76Å
637	G	74.6	Confident	88.9	Confident	50 Å²	50	34 Å²	34	52%	0.515	22%	0.22	S	C	.	.	S	Bend	trans	87	-7.7	153	0	0	0	0	0	118.8
638	D	75.8	Confident	88.7	Confident	58 Å²	58	33 Å²	33	31%	0.31	21%	0.214	S	C	.	.	S	Bend	trans	-122.6	153.8	173.4	-65.6	-49.7	0	0	0	110.9	S609 P610 V611 A636	S609-D638 WeakPolarHBondContact CB-OD2 3.49Å; S609-D638 PolarHBondContact OG-OD2 3.32Å; P610-D638 WeakPolarHBondContact CG-O 3.19Å; V611-D638 HydrophobicContact CB-CB 4.33Å; V611-D638 HydrophobicContact CG2-CB 3.74Å; A636-D638 PolarHBondContact O-N 3.42Å
639	P	76.8	Confident	88.3	Confident	109 Å²	109	37 Å²	37	71%	0.708	22%	0.219	S	C	*	.	P	Polyproline II helix	trans	-60.5	152.1	171.4	-21.7	33.6	0	0	0	112.8	P641	P639-P641 WeakPolarHBondContact O-CD 3.38Å
640	F	85.5	Confident	87.9	Confident	12 Å²	12	43.5 Å²	43.5	5%	0.053	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-81.8	118.2	-175.8	-159.1	-71.8	0	0	0	112.1	P610 L635 L644 L645 L648 I656 M681 I682	P610-F640 HydrophobicContact CB-CD2 4.41Å; P610-F640 HydrophobicContact CB-CG 4.48Å; P610-F640 HydrophobicContact CG-CD2 4.35Å; L635-F640 HydrophobicContact CD1-CD2 4.31Å; L635-F640 HydrophobicContact CD1-CE2 3.74Å; F640-L644 HydrophobicContact CD1-CB 4.33Å; F640-L644 HydrophobicContact CD1-CD2 4.29Å; F640-L644 HydrophobicContact CE1-CB 3.78Å; F640-L644 HydrophobicContact CE1-CD2 3.85Å; F640-L644 HydrophobicContact CE1-CG 3.91Å; F640-L644 HydrophobicContact CE2-CD2 4.15Å; F640-L644 HydrophobicContact CZ-CB 4.4Å; F640-L644 HydrophobicContact CZ-CD2 3.8Å; F640-L644 HydrophobicContact CZ-CG 4.02Å; F640-L645 HydrophobicContact CD1-CD2 4.24Å; F640-L645 HydrophobicContact CE1-CD2 3.36Å; F640-L645 HydrophobicContact CE1-CG 3.96Å; F640-L645 HydrophobicContact CZ-CD2 3.76Å; F640-L648 HydrophobicContact CE1-CD1 4.49Å; F640-L648 HydrophobicContact CE2-CD1 4.45Å; F640-L648 HydrophobicContact CZ-CD1 3.65Å; F640-I656 HydrophobicContact CE2-CG2 4.46Å; F640-M681 WeakPolarHBondContact CB-O 3.2Å; F640-M681 HydrophobicContact CD2-CB 3.77Å; F640-M681 HydrophobicContact CD2-SD 4.39Å; F640-M681 HydrophobicContact CE2-CB 4.05Å; F640-M681 HydrophobicContact CE2-SD 3.86Å; F640-M681 HydrophobicContact CG-CB 4.1Å; F640-I682 HydrophobicContact CD1-CG1 4.39Å
641	P	83.2	Confident	87.7	Confident	23 Å²	23	45 Å²	45	15%	0.149	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-68.6	130.6	177.9	-21.1	34.1	0	0	0	111.6	P610 V611 P639 D643 L644	P610-P641 VanDerWaalsContact CB-CD 3.45Å; V611-P641 HydrophobicContact CG2-CG 4.27Å; P639-P641 WeakPolarHBondContact O-CD 3.38Å; P641-D643 WeakPolarHBondContact CB-OD1 3.22Å; P641-D643 PolarHBondContact O-N 3.16Å; P641-D643 VanDerWaalsContact O-N 3.15Å; P641-L644 HydrophobicContact CB-CB 4.26Å; P641-L644 WeakPolarHBondContact O-CB 3.43Å; P641-L644 PolarHBondContact O-N 3.35Å
642	P	83	Confident	87.5	Confident	87 Å²	87	46.5 Å²	46.5	57%	0.565	26%	0.26	S	S	*	.	H	α-helix	trans	-57.4	-32.2	-180	-28.7	35.8	0	0	0	114.6	L644 I682	P642-L644 VanDerWaalsContact C-N 3.29Å; P642-L644 PolarHBondContact O-N 2.9Å; P642-I682 HydrophobicContact CB-CD1 3.8Å; P642-I682 HydrophobicContact CB-CG1 4.48Å; P642-I682 HydrophobicContact CG-CD1 4.14Å; P642-I682 HydrophobicContact CG-CG1 4.43Å; P642-I682 HydrophobicContact CG-CG2 4.02Å
643	D	83.8	Confident	87.5	Confident	61 Å²	61	46.5 Å²	46.5	33%	0.326	26%	0.26	S	S	.	.	H	α-helix	trans	-70.2	-22.4	177.6	58.8	22.6	0	0	0	113.8	S614 R618 P641 L645 S646 M647	S614-D643 PolarHBondContact OG-OD1 3.22Å; S614-D643 VanDerWaalsContact OG-OD1 3.06Å; R618-D643 IonicContact CZ-OD1 2.73Å; R618-D643 IonicContact CZ-OD2 2.67Å; R618-D643 IonicContact NH1-OD2 2.85Å; R618-D643 PolarHBondContact NH1-OD2 3.26Å; R618-D643 IonicContact NH2-OD1 3.19Å; R618-D643 PolarHBondContact NH2-OD1 3.39Å; R618-D643 IonicContact NH2-OD2 2.71Å; R618-D643 PolarHBondContact NH2-OD2 2.78Å; P641-D643 WeakPolarHBondContact CB-OD1 3.22Å; P641-D643 PolarHBondContact O-N 3.16Å; P641-D643 VanDerWaalsContact O-N 3.15Å; D643-L645 VanDerWaalsContact C-N 3.27Å; D643-L645 PolarHBondContact O-N 2.98Å; D643-S646 WeakPolarHBondContact O-CB 3.4Å; D643-S646 PolarHBondContact O-N 2.89Å; D643-S646 VanDerWaalsContact O-N 3.11Å; D643-S646 PolarHBondContact O-OG 2.8Å; D643-M647 PolarHBondContact O-N 2.76Å
644	L	89.8	Confident	87.2	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-63.4	-33	178.7	-179.9	60	0	0	0	111.7	P610 L613 F617 L635 F640 P641 P642 S646 M647 L648	P610-L644 HydrophobicContact CB-CD2 3.92Å; L613-L644 HydrophobicContact CB-CD1 4.4Å; L613-L644 HydrophobicContact CD2-CD1 4.25Å; L613-L644 HydrophobicContact CG-CD1 4.07Å; F617-L644 HydrophobicContact CD2-CD1 3.7Å; F617-L644 HydrophobicContact CE2-CD1 3.68Å; L635-L644 HydrophobicContact CD1-CD2 4.43Å; F640-L644 HydrophobicContact CD1-CB 4.33Å; F640-L644 HydrophobicContact CD1-CD2 4.29Å; F640-L644 HydrophobicContact CE1-CB 3.78Å; F640-L644 HydrophobicContact CE1-CD2 3.85Å; F640-L644 HydrophobicContact CE1-CG 3.91Å; F640-L644 HydrophobicContact CE2-CD2 4.15Å; F640-L644 HydrophobicContact CZ-CB 4.4Å; F640-L644 HydrophobicContact CZ-CD2 3.8Å; F640-L644 HydrophobicContact CZ-CG 4.02Å; P641-L644 HydrophobicContact CB-CB 4.26Å; P641-L644 WeakPolarHBondContact O-CB 3.43Å; P641-L644 PolarHBondContact O-N 3.35Å; P642-L644 VanDerWaalsContact C-N 3.29Å; P642-L644 PolarHBondContact O-N 2.9Å; L644-S646 VanDerWaalsContact C-N 3.26Å; L644-S646 PolarHBondContact O-N 2.81Å; L644-M647 HydrophobicContact CD1-CE 4.35Å; L644-M647 PolarHBondContact O-N 2.95Å; L644-M647 VanDerWaalsContact O-N 3.09Å; L644-L648 HydrophobicContact CD1-CD1 4.1Å; L644-L648 HydrophobicContact CD1-CG 3.99Å; L644-L648 HydrophobicContact CD2-CD1 4.23Å; L644-L648 HydrophobicContact CG-CD1 3.66Å; L644-L648 HydrophobicContact CG-CG 4.1Å; L644-L648 WeakPolarHBondContact O-CG 3.42Å; L644-L648 PolarHBondContact O-N 3.14Å
645	L	87.4	Confident	87	Confident	10 Å²	10	53.5 Å²	53.5	5%	0.052	30%	0.302	C	S	.	.	H	α-helix	trans	-54.7	-44.3	173.2	-58.2	-175.9	0	0	0	111.6	F640 D643 M647 R649 L678 E679 I682	F640-L645 HydrophobicContact CD1-CD2 4.24Å; F640-L645 HydrophobicContact CE1-CD2 3.36Å; F640-L645 HydrophobicContact CE1-CG 3.96Å; F640-L645 HydrophobicContact CZ-CD2 3.76Å; D643-L645 VanDerWaalsContact C-N 3.27Å; D643-L645 PolarHBondContact O-N 2.98Å; L645-M647 PolarHBondContact O-N 2.87Å; L645-R649 WeakPolarHBondContact O-CB 3.18Å; L645-R649 VanDerWaalsContact O-CG 3.28Å; L645-R649 WeakPolarHBondContact O-CG 3.46Å; L645-R649 PolarHBondContact O-N 2.77Å; L645-R649 VanDerWaalsContact O-N 3.15Å; L645-L678 HydrophobicContact CD2-CB 3.88Å; L645-L678 HydrophobicContact CD2-CD2 3.56Å; L645-L678 HydrophobicContact CD2-CG 3.48Å; L645-L678 VanDerWaalsContact CD2-CG 3.48Å; L645-L678 VanDerWaalsContact CD2-O 3.24Å; L645-L678 WeakPolarHBondContact CD2-O 3.37Å; L645-E679 HydrophobicContact CD1-CG 4.21Å; L645-I682 HydrophobicContact CD1-CD1 3.49Å; L645-I682 VanDerWaalsContact CD1-CD1 3.49Å; L645-I682 HydrophobicContact CD1-CG1 4.19Å; L645-I682 HydrophobicContact CG-CD1 4.21Å
646	S	87.9	Confident	87	Confident	59 Å²	59	54.1 Å²	54.1	41%	0.413	31%	0.305	S	S	.	.	H	α-helix	trans	-72.1	-17.5	-177.6	80.2	0	0	0	0	113.6	D643 L644 K650	D643-S646 WeakPolarHBondContact O-CB 3.4Å; D643-S646 PolarHBondContact O-N 2.89Å; D643-S646 VanDerWaalsContact O-N 3.11Å; D643-S646 PolarHBondContact O-OG 2.8Å; L644-S646 VanDerWaalsContact C-N 3.26Å; L644-S646 PolarHBondContact O-N 2.81Å; S646-K650 WeakPolarHBondContact O-CD 3.3Å; S646-K650 WeakPolarHBondContact O-CE 3.42Å
647	M	92.2	Very high	87.3	Confident	33 Å²	33	53.5 Å²	53.5	16%	0.163	30%	0.299	C	S	.	.	H	α-helix	trans	-92.6	-45.2	176.6	-63.4	-171.2	-75.6	0	0	110.9	S614 F617 R618 D643 L644 L645 R649 K650	S614-M647 VanDerWaalsContact OG-CE 3.25Å; S614-M647 WeakPolarHBondContact OG-CE 3.39Å; F617-M647 HydrophobicContact CB-CB 4.41Å; F617-M647 HydrophobicContact CB-CE 4.36Å; F617-M647 HydrophobicContact CB-SD 3.66Å; F617-M647 HydrophobicContact CD2-CB 3.58Å; F617-M647 HydrophobicContact CD2-CE 4.42Å; F617-M647 HydrophobicContact CD2-SD 4.32Å; F617-M647 HydrophobicContact CE2-CB 4.11Å; F617-M647 HydrophobicContact CG-CB 4.29Å; F617-M647 HydrophobicContact CG-SD 4.49Å; R618-M647 HydrophobicContact CG-SD 4.34Å; D643-M647 PolarHBondContact O-N 2.76Å; L644-M647 HydrophobicContact CD1-CE 4.35Å; L644-M647 PolarHBondContact O-N 2.95Å; L644-M647 VanDerWaalsContact O-N 3.09Å; L645-M647 PolarHBondContact O-N 2.87Å; M647-R649 VanDerWaalsContact C-N 3.3Å; M647-R649 PolarHBondContact O-N 3.28Å; M647-K650 WeakPolarHBondContact O-CB 3.17Å; M647-K650 PolarHBondContact O-N 3.2Å
648	L	92	Very high	88	Confident	4 Å²	4	51.7 Å²	51.7	2%	0.021	28%	0.278	C	S	.	.	H	α-helix	trans	-57.5	-40.9	175.4	-73.7	164.1	0	0	0	112.4	L613 F617 F640 L644 K650 T651 I653 I656 L678	L613-L648 HydrophobicContact CD2-CD2 4Å; F617-L648 HydrophobicContact CE2-CD2 3.95Å; F617-L648 HydrophobicContact CE2-CG 4.16Å; F617-L648 HydrophobicContact CZ-CD2 4.15Å; F640-L648 HydrophobicContact CE1-CD1 4.49Å; F640-L648 HydrophobicContact CE2-CD1 4.45Å; F640-L648 HydrophobicContact CZ-CD1 3.65Å; L644-L648 HydrophobicContact CD1-CD1 4.1Å; L644-L648 HydrophobicContact CD1-CG 3.99Å; L644-L648 HydrophobicContact CD2-CD1 4.23Å; L644-L648 HydrophobicContact CG-CD1 3.66Å; L644-L648 HydrophobicContact CG-CG 4.1Å; L644-L648 WeakPolarHBondContact O-CG 3.42Å; L644-L648 PolarHBondContact O-N 3.14Å; L648-K650 PolarHBondContact O-N 3.36Å; L648-T651 PolarHBondContact O-N 3.16Å; L648-T651 PolarHBondContact O-OG1 3.49Å; L648-I653 HydrophobicContact CD2-CB 4.33Å; L648-I653 HydrophobicContact CD2-CD1 4.05Å; L648-I653 HydrophobicContact CD2-CG2 4.27Å; L648-I656 HydrophobicContact CB-CD1 4.46Å; L648-I656 HydrophobicContact CD1-CD1 3.89Å; L648-I656 HydrophobicContact CD2-CD1 4.21Å; L648-I656 HydrophobicContact CG-CD1 4.43Å; L648-L678 HydrophobicContact CB-CD2 4.4Å; L648-L678 HydrophobicContact CD1-CD2 4.28Å
649	R	89	Confident	88.7	Confident	153 Å²	153	49.3 Å²	49.3	58%	0.577	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-6	173.6	-77.9	175	169.2	145.6	6.6	115.3	L645 M647 E679	L645-R649 WeakPolarHBondContact O-CB 3.18Å; L645-R649 VanDerWaalsContact O-CG 3.28Å; L645-R649 WeakPolarHBondContact O-CG 3.46Å; L645-R649 PolarHBondContact O-N 2.77Å; L645-R649 VanDerWaalsContact O-N 3.15Å; M647-R649 VanDerWaalsContact C-N 3.3Å; M647-R649 PolarHBondContact O-N 3.28Å; R649-E679 IonicContact CZ-OE1 3.92Å; R649-E679 IonicContact CZ-OE2 2.69Å; R649-E679 IonicContact NH1-OE1 3.35Å; R649-E679 PolarHBondContact NH1-OE1 3.23Å; R649-E679 IonicContact NH2-OE1 2.77Å; R649-E679 PolarHBondContact NH2-OE1 3.11Å; R649-E679 IonicContact NH2-OE2 2.86Å; R649-E679 PolarHBondContact NH2-OE2 2.93Å
650	K	89.8	Confident	89.4	Confident	170 Å²	170	44.9 Å²	44.9	74%	0.739	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111	12.5	176.5	-55.9	172	-175.9	164.7	0	112.6	S646 M647 L648	S646-K650 WeakPolarHBondContact O-CD 3.3Å; S646-K650 WeakPolarHBondContact O-CE 3.42Å; M647-K650 WeakPolarHBondContact O-CB 3.17Å; M647-K650 PolarHBondContact O-N 3.2Å; L648-K650 PolarHBondContact O-N 3.36Å
651	T	92.7	Very high	89.7	Confident	35 Å²	35	46.1 Å²	46.1	22%	0.215	24%	0.243	C	C	.	.	S	Bend	trans	-125.6	169.6	-178.1	70.4	0	0	0	0	110.9	F617 L622 L648 I653	F617-T651 HydrophobicContact CE1-CG2 4.1Å; F617-T651 HydrophobicContact CZ-CG2 3.91Å; L622-T651 HydrophobicContact CD1-CG2 4.26Å; L648-T651 PolarHBondContact O-N 3.16Å; L648-T651 PolarHBondContact O-OG1 3.49Å; T651-I653 PolarHBondContact O-N 2.9Å; T651-I653 WeakPolarHBondContact OG1-CB 3.27Å; T651-I653 PolarHBondContact OG1-N 2.61Å
652	N	93.1	Very high	90.1	Very high	87 Å²	87	45.7 Å²	45.7	47%	0.465	24%	0.24	S	C	.	.	S	Bend	trans	-78.1	0.7	174.9	-53.5	-52.4	0	0	0	113.2	L627 S628 L630 T631 T654	L627-N652 PolarHBondContact O-ND2 2.89Å; S628-N652 WeakPolarHBondContact CA-ND2 3.42Å; L630-N652 CarbonylContact O-C 3.56Å; T631-N652 WeakPolarHBondContact CA-O 3.4Å; N652-T654 PolarHBondContact O-N 2.82Å; N652-T654 VanDerWaalsContact O-N 3.13Å
653	I	93.4	Very high	90.5	Very high	10 Å²	10	42.2 Å²	42.2	5%	0.051	22%	0.217	C	C	.	.			trans	-74.5	103.8	-177.3	-56.5	171.4	0	0	0	109.1	F617 L630 T631 A633 L648 T651 I656	F617-I653 HydrophobicContact CZ-CD1 4.33Å; L630-I653 HydrophobicContact CD2-CD1 3.92Å; L630-I653 HydrophobicContact CD2-CG1 4.21Å; L630-I653 HydrophobicContact CG-CD1 4.25Å; L630-I653 HydrophobicContact CG-CG1 4.06Å; L630-I653 WeakPolarHBondContact O-CG1 3.24Å; L630-I653 PolarHBondContact O-N 3.12Å; T631-I653 CarbonylContact O-C 3.59Å; T631-I653 WeakPolarHBondContact O-CA 3.29Å; A633-I653 HydrophobicContact CB-CD1 4.49Å; A633-I653 HydrophobicContact CB-CG2 3.73Å; L648-I653 HydrophobicContact CD2-CB 4.33Å; L648-I653 HydrophobicContact CD2-CD1 4.05Å; L648-I653 HydrophobicContact CD2-CG2 4.27Å; T651-I653 PolarHBondContact O-N 2.9Å; T651-I653 WeakPolarHBondContact OG1-CB 3.27Å; T651-I653 PolarHBondContact OG1-N 2.61Å; I653-I656 HydrophobicContact CG2-CD1 4.13Å; I653-I656 HydrophobicContact CG2-CG1 3.67Å
654	T	89.2	Confident	90.9	Very high	123 Å²	123	40.4 Å²	40.4	76%	0.755	21%	0.206	S	C	*	.			trans	-107	-30.8	179.8	53.4	0	0	0	0	112.7	T631 N652	T631-T654 PolarHBondContact O-N 2.83Å; N652-T654 PolarHBondContact O-N 2.82Å; N652-T654 VanDerWaalsContact O-N 3.13Å
655	N	90.6	Very high	91	Very high	26 Å²	26	40.6 Å²	40.6	14%	0.139	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	115.5	175	-175.3	13.7	0	0	0	110.3	T631 T632 A633 L674	T631-N655 PolarHBondContact O-N 2.95Å; T631-N655 VanDerWaalsContact O-N 3.08Å; T632-N655 CarbonylContact C-O 3.47Å; T632-N655 VanDerWaalsContact CA-O 3.27Å; T632-N655 WeakPolarHBondContact CA-O 3.36Å; T632-N655 HydrophobicContact CG2-CB 4.15Å; A633-N655 PolarHBondContact N-O 2.98Å; N655-L674 WeakPolarHBondContact OD1-CD2 3.35Å
656	I	91.1	Very high	91.2	Very high	13 Å²	13	40.1 Å²	40.1	7%	0.067	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	109.7	-177	-65.1	158	0	0	0	108.8	L635 F640 L648 I653 S672 L678 M681	L635-I656 HydrophobicContact CD1-CG2 3.77Å; L635-I656 HydrophobicContact CG-CG2 4.44Å; F640-I656 HydrophobicContact CE2-CG2 4.46Å; L648-I656 HydrophobicContact CB-CD1 4.46Å; L648-I656 HydrophobicContact CD1-CD1 3.89Å; L648-I656 HydrophobicContact CD2-CD1 4.21Å; L648-I656 HydrophobicContact CG-CD1 4.43Å; I653-I656 HydrophobicContact CG2-CD1 4.13Å; I653-I656 HydrophobicContact CG2-CG1 3.67Å; I656-S672 PolarHBondContact O-OG 3.09Å; I656-L678 HydrophobicContact CB-CD1 4.23Å; I656-L678 HydrophobicContact CD1-CD1 3.51Å; I656-L678 HydrophobicContact CD1-CD2 4.13Å; I656-L678 HydrophobicContact CD1-CG 4.45Å; I656-L678 HydrophobicContact CG1-CD1 4.46Å; I656-L678 HydrophobicContact CG2-CD1 4.47Å; I656-M681 HydrophobicContact CB-CE 4.23Å; I656-M681 HydrophobicContact CB-SD 4.47Å; I656-M681 HydrophobicContact CG2-CE 4.07Å; I656-M681 HydrophobicContact CG2-SD 3.74Å; I656-M681 WeakPolarHBondContact O-CE 3.35Å
657	V	91.4	Very high	91.4	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.006	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	109.7	177.7	-177.9	0	0	0	0	107.8	I544 R547 L548 A633 C634 L635 V671	I544-V657 HydrophobicContact CD1-CG1 4.28Å; I544-V657 HydrophobicContact CG1-CG1 4.34Å; R547-V657 HydrophobicContact CG-CG1 3.85Å; R547-V657 HydrophobicContact CG-CG2 3.86Å; L548-V657 HydrophobicContact CD2-CB 3.78Å; L548-V657 HydrophobicContact CD2-CG1 4.45Å; L548-V657 HydrophobicContact CD2-CG2 3.63Å; L548-V657 HydrophobicContact CG-CB 4.34Å; L548-V657 HydrophobicContact CG-CG2 4.12Å; A633-V657 PolarHBondContact O-N 2.91Å; C634-V657 WeakPolarHBondContact CA-O 3.18Å; L635-V657 PolarHBondContact N-O 3.03Å; V657-V671 HydrophobicContact CG1-CB 4.45Å; V657-V671 HydrophobicContact CG1-CG1 4.47Å
658	T	90.9	Very high	91.5	Very high	11 Å²	11	35.7 Å²	35.7	7%	0.067	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	164.6	174.3	-169.7	0	0	0	0	109.5	L635 V671 S672 M681	L635-T658 WeakPolarHBondContact O-CA 3.4Å; L635-T658 PolarHBondContact O-OG1 3.12Å; T658-V671 CarbonylContact O-C 3.43Å; T658-V671 WeakPolarHBondContact O-CA 3.21Å; T658-S672 PolarHBondContact N-OG 2.66Å; T658-S672 VanDerWaalsContact N-OG 3.12Å; T658-S672 PolarHBondContact O-N 3.41Å; T658-S672 PolarHBondContact O-OG 2.61Å; T658-M681 HydrophobicContact CG2-CB 4.09Å; T658-M681 HydrophobicContact CG2-CE 4.48Å; T658-M681 HydrophobicContact CG2-CG 3.81Å; T658-M681 HydrophobicContact CG2-SD 3.75Å
659	G	89.9	Confident	91.6	Very high	9 Å²	9	35.5 Å²	35.5	9%	0.093	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	160	-163	170.1	0	0	0	0	0	115.5	F661 I670 V685	G659-F661 WeakPolarHBondContact O-CD2 3.14Å; G659-I670 WeakPolarHBondContact CA-O 3.28Å; G659-V685 WeakPolarHBondContact CA-O 3.39Å
660	M	91.7	Very high	91.9	Very high	15 Å²	15	28.2 Å²	28.2	7%	0.074	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	117	-178.7	-162	-167.6	-167.7	0	0	110.1	A668 P669 I670 L712 T740 D742	M660-A668 WeakPolarHBondContact O-CA 3.24Å; M660-P669 WeakPolarHBondContact O-CD 3.46Å; M660-I670 HydrophobicContact CB-CB 3.9Å; M660-I670 HydrophobicContact CB-CD1 4.22Å; M660-I670 HydrophobicContact CB-CG1 4.39Å; M660-I670 PolarHBondContact N-O 3.12Å; M660-I670 HydrophobicContact SD-CD1 4.02Å; M660-L712 HydrophobicContact CE-CD2 4.08Å; M660-L712 HydrophobicContact SD-CD2 3.66Å; M660-T740 HydrophobicContact CE-CG2 4.4Å; M660-D742 HydrophobicContact CE-CB 4.13Å; M660-D742 WeakPolarHBondContact CE-OD2 3.42Å
661	F	91.9	Very high	92	Very high	39 Å²	39	20.3 Å²	20.3	17%	0.171	12%	0.115	C	C	.	.			trans	-99.4	124.5	172	-72.5	-98	0	0	0	109.3	I544 P566 L570 A636 G659 C667 A668	I544-F661 HydrophobicContact CD1-CE1 3.87Å; I544-F661 HydrophobicContact CD1-CZ 3.64Å; P566-F661 HydrophobicContact CB-CB 4.39Å; P566-F661 HydrophobicContact CB-CD1 3.82Å; L570-F661 HydrophobicContact CD1-CE1 3.59Å; L570-F661 HydrophobicContact CD1-CZ 3.99Å; L570-F661 HydrophobicContact CG-CE1 4.4Å; A636-F661 VanDerWaalsContact CA-CE2 3.49Å; A636-F661 HydrophobicContact CB-CD1 4.34Å; A636-F661 HydrophobicContact CB-CD2 3.62Å; A636-F661 HydrophobicContact CB-CE1 4.2Å; A636-F661 HydrophobicContact CB-CE2 3.46Å; A636-F661 VanDerWaalsContact CB-CE2 3.46Å; A636-F661 HydrophobicContact CB-CG 4.06Å; A636-F661 HydrophobicContact CB-CZ 3.76Å; G659-F661 WeakPolarHBondContact O-CD2 3.14Å; F661-C667 WeakPolarHBondContact CA-O 3.46Å; F661-A668 HydrophobicContact CD1-CB 3.82Å; F661-A668 HydrophobicContact CE1-CB 3.68Å; F661-A668 HydrophobicContact CE2-CB 4.44Å; F661-A668 HydrophobicContact CG-CB 4.29Å; F661-A668 HydrophobicContact CZ-CB 4.01Å
662	L	91.3	Very high	91.9	Very high	14 Å²	14	18.7 Å²	18.7	7%	0.073	11%	0.105	C	C	.	.			trans	-133.3	124.3	-172.2	-172.5	71.6	0	0	0	108.8	E664 A665 G666 C667 P669 I714 I738 T740	L662-E664 VanDerWaalsContact C-N 3.28Å; L662-E664 VanDerWaalsContact CD1-OE2 3.31Å; L662-E664 WeakPolarHBondContact CD1-OE2 3.46Å; L662-E664 HydrophobicContact CD2-CB 4.16Å; L662-E664 HydrophobicContact CG-CB 3.99Å; L662-E664 WeakPolarHBondContact CG-OE2 3.12Å; L662-E664 PolarHBondContact O-N 2.97Å; L662-A665 HydrophobicContact CB-CB 4.24Å; L662-A665 HydrophobicContact CD2-CB 4.13Å; L662-A665 HydrophobicContact CG-CB 4.47Å; L662-A665 PolarHBondContact O-N 3.2Å; L662-G666 PolarHBondContact O-N 3.07Å; L662-C667 PolarHBondContact N-O 3.08Å; L662-P669 HydrophobicContact CB-CG 3.95Å; L662-P669 HydrophobicContact CD2-CG 4.33Å; L662-I714 HydrophobicContact CD2-CB 4.43Å; L662-I714 HydrophobicContact CD2-CG1 4.28Å; L662-I738 HydrophobicContact CD2-CG2 4.31Å; L662-T740 HydrophobicContact CD2-CG2 3.92Å
663	T	91.5	Very high	91.4	Very high	14 Å²	14	15.9 Å²	15.9	9%	0.086	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-69.9	-35.4	-174	-51.4	0	0	0	0	110.1	L518 V530 A665 G666	L518-T663 HydrophobicContact CB-CG2 3.81Å; V530-T663 HydrophobicContact CB-CG2 4.05Å; V530-T663 HydrophobicContact CG2-CG2 3.66Å; T663-A665 PolarHBondContact O-N 3.15Å; T663-G666 PolarHBondContact O-N 3.16Å
664	E	91.5	Very high	90.6	Very high	22 Å²	22	20.3 Å²	20.3	10%	0.103	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-58	-26.7	175.2	-60.9	82.3	163.8	0	0	113.2	T520 V530 L662 F722 Y725 I738	T520-E664 WeakPolarHBondContact CG2-OE1 3.03Å; V530-E664 HydrophobicContact CG2-CG 4.03Å; L662-E664 VanDerWaalsContact C-N 3.28Å; L662-E664 VanDerWaalsContact CD1-OE2 3.31Å; L662-E664 WeakPolarHBondContact CD1-OE2 3.46Å; L662-E664 HydrophobicContact CD2-CB 4.16Å; L662-E664 HydrophobicContact CG-CB 3.99Å; L662-E664 WeakPolarHBondContact CG-OE2 3.12Å; L662-E664 PolarHBondContact O-N 2.97Å; E664-F722 HydrophobicContact CB-CE2 4.26Å; E664-F722 HydrophobicContact CB-CZ 4.36Å; E664-F722 HydrophobicContact CG-CZ 4.3Å; E664-Y725 HydrophobicContact CG-CE1 3.78Å; E664-Y725 WeakPolarHBondContact CG-OH 3.28Å; E664-Y725 PolarHBondContact OE1-OH 2.95Å; E664-I738 HydrophobicContact CB-CD1 4.14Å; E664-I738 HydrophobicContact CB-CG2 3.74Å; E664-I738 HydrophobicContact CG-CG2 4.27Å; E664-I738 WeakPolarHBondContact O-CD1 3.41Å
665	A	92.4	Very high	89.9	Confident	4 Å²	4	23.3 Å²	23.3	3%	0.033	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-104.4	12	175	0	0	0	0	0	113.2	L662 T663 C667 P669 F692 I714 I738	L662-A665 HydrophobicContact CB-CB 4.24Å; L662-A665 HydrophobicContact CD2-CB 4.13Å; L662-A665 HydrophobicContact CG-CB 4.47Å; L662-A665 PolarHBondContact O-N 3.2Å; T663-A665 PolarHBondContact O-N 3.15Å; A665-C667 PolarHBondContact O-N 2.77Å; A665-P669 HydrophobicContact CB-CB 3.97Å; A665-P669 HydrophobicContact CB-CG 3.74Å; A665-F692 HydrophobicContact CB-CE1 4.01Å; A665-I714 HydrophobicContact CB-CG2 4.42Å; A665-I738 HydrophobicContact CB-CD1 4.21Å
666	G	92	Very high	89.1	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.121	C	C	.	.	S	Bend	trans	74.4	-37.2	178.4	0	0	0	0	0	115.8	L662 T663	L662-G666 PolarHBondContact O-N 3.07Å; T663-G666 PolarHBondContact O-N 3.16Å
667	C	92.2	Very high	88.5	Confident	0 Å²	0	27 Å²	27	0%	0	14%	0.144	C	C	.	.	S	Bend	trans	-146.5	-100.8	176.6	-162.2	0	0	0	0	113.7	A540 C569 F661 L662 A665	A540-C667 HydrophobicContact CB-CB 3.81Å; C569-C667 HydrophobicContact CB-CB 4.3Å; F661-C667 WeakPolarHBondContact CA-O 3.46Å; L662-C667 PolarHBondContact N-O 3.08Å; A665-C667 PolarHBondContact O-N 2.77Å
668	A	93.7	Very high	88	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.152	C	C	.	.			trans	-131.1	88.5	-170.8	0	0	0	0	0	111.1	I544 M660 F661 I670 V671 A689	I544-A668 HydrophobicContact CD1-CB 3.6Å; M660-A668 WeakPolarHBondContact O-CA 3.24Å; F661-A668 HydrophobicContact CD1-CB 3.82Å; F661-A668 HydrophobicContact CE1-CB 3.68Å; F661-A668 HydrophobicContact CE2-CB 4.44Å; F661-A668 HydrophobicContact CG-CB 4.29Å; F661-A668 HydrophobicContact CZ-CB 4.01Å; A668-I670 PolarHBondContact O-N 2.96Å; A668-V671 HydrophobicContact CB-CG1 4.03Å; A668-A689 WeakPolarHBondContact O-CB 3.14Å
669	P	94.9	Very high	87.6	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.168	C	C	.	.	S	Bend	trans	-71.8	-14.4	179.5	29.2	-37.3	0	0	0	114.1	M660 L662 A665 A688 A689 F692 I714	M660-P669 WeakPolarHBondContact O-CD 3.46Å; L662-P669 HydrophobicContact CB-CG 3.95Å; L662-P669 HydrophobicContact CD2-CG 4.33Å; A665-P669 HydrophobicContact CB-CB 3.97Å; A665-P669 HydrophobicContact CB-CG 3.74Å; P669-A688 WeakPolarHBondContact O-CA 3.43Å; P669-A689 PolarHBondContact O-N 3.17Å; P669-F692 HydrophobicContact CB-CB 4.38Å; P669-F692 HydrophobicContact CB-CD1 3.67Å; P669-F692 HydrophobicContact CB-CE1 3.99Å; P669-F692 HydrophobicContact CB-CG 3.97Å; P669-I714 HydrophobicContact CB-CD1 4.49Å; P669-I714 HydrophobicContact CB-CG2 3.53Å; P669-I714 HydrophobicContact CG-CG1 4.48Å; P669-I714 HydrophobicContact CG-CG2 3.97Å
670	I	94.8	Very high	87.4	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	129.8	175.6	-57	173.9	0	0	0	108.7	G659 M660 A668 V685 G686 K687 L712 I714 I752	G659-I670 WeakPolarHBondContact CA-O 3.28Å; M660-I670 HydrophobicContact CB-CB 3.9Å; M660-I670 HydrophobicContact CB-CD1 4.22Å; M660-I670 HydrophobicContact CB-CG1 4.39Å; M660-I670 PolarHBondContact N-O 3.12Å; M660-I670 HydrophobicContact SD-CD1 4.02Å; A668-I670 PolarHBondContact O-N 2.96Å; I670-V685 HydrophobicContact CG2-CB 4.45Å; I670-V685 HydrophobicContact CG2-CG2 4.05Å; I670-V685 WeakPolarHBondContact CG2-O 3.18Å; I670-G686 VanDerWaalsContact CG2-C 3.44Å; I670-K687 CarbonylContact C-O 3.58Å; I670-K687 VanDerWaalsContact CA-O 3.27Å; I670-K687 WeakPolarHBondContact CA-O 3.49Å; I670-K687 WeakPolarHBondContact CG2-O 3.38Å; I670-L712 HydrophobicContact CD1-CD1 4.34Å; I670-L712 HydrophobicContact CD1-CD2 3.8Å; I670-I714 HydrophobicContact CD1-CD1 3.95Å; I670-I714 HydrophobicContact CG1-CD1 4.13Å; I670-I752 HydrophobicContact CD1-CB 4.43Å; I670-I752 HydrophobicContact CD1-CD1 3.59Å; I670-I752 HydrophobicContact CD1-CG2 4.15Å; I670-I752 HydrophobicContact CG1-CD1 4.03Å; I670-I752 HydrophobicContact CG2-CD1 4.29Å
671	V	92.8	Very high	87	Confident	3 Å²	3	32.4 Å²	32.4	2%	0.018	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	151.9	179.5	-62.3	0	0	0	0	111.9	I544 R547 V657 T658 A668 G686 K687 A689	I544-V671 HydrophobicContact CD1-CG1 4.16Å; I544-V671 HydrophobicContact CG1-CG1 4.48Å; R547-V671 HydrophobicContact CG-CG2 4.31Å; V657-V671 HydrophobicContact CG1-CB 4.45Å; V657-V671 HydrophobicContact CG1-CG1 4.47Å; T658-V671 CarbonylContact O-C 3.43Å; T658-V671 WeakPolarHBondContact O-CA 3.21Å; A668-V671 HydrophobicContact CB-CG1 4.03Å; V671-G686 WeakPolarHBondContact O-CA 3.27Å; V671-K687 PolarHBondContact N-O 3.15Å; V671-K687 PolarHBondContact O-N 2.92Å; V671-A689 HydrophobicContact CG1-CB 4.27Å; V671-A689 HydrophobicContact CG2-CB 3.84Å
672	S	89.9	Confident	86.6	Confident	2 Å²	2	34 Å²	34	1%	0.014	18%	0.179	C	C	.	.			trans	-58.7	138.7	173.4	50.3	0	0	0	0	112.2	R547 I656 T658	R547-S672 PolarHBondContact NE-O 3.47Å; R547-S672 PolarHBondContact NH2-O 2.97Å; I656-S672 PolarHBondContact O-OG 3.09Å; T658-S672 PolarHBondContact N-OG 2.66Å; T658-S672 VanDerWaalsContact N-OG 3.12Å; T658-S672 PolarHBondContact O-N 3.41Å; T658-S672 PolarHBondContact O-OG 2.61Å
673	P	82.3	Confident	86.2	Confident	28 Å²	28	36.4 Å²	36.4	18%	0.182	20%	0.198	C	C	.	.			trans	-57.9	144.2	162.1	-24.4	36	0	0	0	112	E675 E676 K687	P673-E675 VanDerWaalsContact C-N 3.27Å; P673-E675 PolarHBondContact O-N 2.78Å; P673-E676 HydrophobicContact CB-CB 4.11Å; P673-E676 WeakPolarHBondContact CD-OE1 3.47Å; P673-E676 HydrophobicContact CG-CB 4.49Å; P673-E676 VanDerWaalsContact CG-OE1 3.27Å; P673-E676 WeakPolarHBondContact CG-OE1 3.07Å; P673-E676 PolarHBondContact O-N 2.94Å; P673-K687 HydrophobicContact CG-CD 3.91Å; P673-K687 HydrophobicContact CG-CG 3.86Å
674	L	76.4	Confident	86.1	Confident	103 Å²	103	36 Å²	36	54%	0.539	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-30.6	-178.8	-83.8	167.4	0	0	0	113.3	N655	N655-L674 WeakPolarHBondContact OD1-CD2 3.35Å
675	E	74.3	Confident	86	Confident	185 Å²	185	36.4 Å²	36.4	86%	0.864	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.6	9.1	-175	-57.3	-175	165.5	0	0	112.4	P673	P673-E675 VanDerWaalsContact C-N 3.27Å; P673-E675 PolarHBondContact O-N 2.78Å
676	E	74.9	Confident	86	Confident	31 Å²	31	36.3 Å²	36.3	15%	0.145	20%	0.199	C	C	.	.	S	Bend	trans	-73.9	136.1	-176.8	-144.4	164.1	-110.6	0	0	111.5	P673 L678 A680 L751	P673-E676 HydrophobicContact CB-CB 4.11Å; P673-E676 WeakPolarHBondContact CD-OE1 3.47Å; P673-E676 HydrophobicContact CG-CB 4.49Å; P673-E676 VanDerWaalsContact CG-OE1 3.27Å; P673-E676 WeakPolarHBondContact CG-OE1 3.07Å; P673-E676 PolarHBondContact O-N 2.94Å; E676-L678 PolarHBondContact O-N 3.2Å; E676-A680 HydrophobicContact CG-CB 3.75Å; E676-L751 VanDerWaalsContact OE1-CD1 3.3Å; E676-L751 WeakPolarHBondContact OE1-CD1 3.22Å
677	P	78.9	Confident	86.1	Confident	86 Å²	86	39.3 Å²	39.3	56%	0.558	21%	0.212	S	C	*	.			trans	-55.2	134	171.7	-25.4	34.8	0	0	0	110.9	E679 A680	P677-E679 PolarHBondContact O-N 2.71Å; P677-A680 VanDerWaalsContact O-CB 3.28Å; P677-A680 WeakPolarHBondContact O-CB 3.38Å; P677-A680 PolarHBondContact O-N 3.12Å
678	L	79.9	Confident	86.2	Confident	33 Å²	33	41.3 Å²	41.3	17%	0.173	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-29.8	-173.8	-149.8	74.4	0	0	0	112.6	L645 L648 I656 E676 A680 M681	L645-L678 HydrophobicContact CD2-CB 3.88Å; L645-L678 HydrophobicContact CD2-CD2 3.56Å; L645-L678 HydrophobicContact CD2-CG 3.48Å; L645-L678 VanDerWaalsContact CD2-CG 3.48Å; L645-L678 VanDerWaalsContact CD2-O 3.24Å; L645-L678 WeakPolarHBondContact CD2-O 3.37Å; L648-L678 HydrophobicContact CB-CD2 4.4Å; L648-L678 HydrophobicContact CD1-CD2 4.28Å; I656-L678 HydrophobicContact CB-CD1 4.23Å; I656-L678 HydrophobicContact CD1-CD1 3.51Å; I656-L678 HydrophobicContact CD1-CD2 4.13Å; I656-L678 HydrophobicContact CD1-CG 4.45Å; I656-L678 HydrophobicContact CG1-CD1 4.46Å; I656-L678 HydrophobicContact CG2-CD1 4.47Å; E676-L678 PolarHBondContact O-N 3.2Å; L678-A680 VanDerWaalsContact C-N 3.28Å; L678-A680 PolarHBondContact O-N 3.25Å; L678-M681 HydrophobicContact CD1-CE 3.72Å; L678-M681 HydrophobicContact CD1-SD 3.68Å; L678-M681 HydrophobicContact CG-SD 4.29Å; L678-M681 WeakPolarHBondContact O-CB 3.34Å; L678-M681 PolarHBondContact O-N 3.18Å
679	E	83	Confident	86.2	Confident	86 Å²	86	41.5 Å²	41.5	40%	0.402	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.8	-38.5	168.3	-79.9	67.1	-159.8	0	0	114.6	L645 R649 P677 M681 I682	L645-E679 HydrophobicContact CD1-CG 4.21Å; R649-E679 IonicContact CZ-OE1 3.92Å; R649-E679 IonicContact CZ-OE2 2.69Å; R649-E679 IonicContact NH1-OE1 3.35Å; R649-E679 PolarHBondContact NH1-OE1 3.23Å; R649-E679 IonicContact NH2-OE1 2.77Å; R649-E679 PolarHBondContact NH2-OE1 3.11Å; R649-E679 IonicContact NH2-OE2 2.86Å; R649-E679 PolarHBondContact NH2-OE2 2.93Å; P677-E679 PolarHBondContact O-N 2.71Å; E679-M681 PolarHBondContact O-N 3.36Å; E679-I682 WeakPolarHBondContact O-CB 3.47Å; E679-I682 PolarHBondContact O-N 2.84Å
680	A	84.9	Confident	86.1	Confident	18 Å²	18	45.6 Å²	45.6	15%	0.149	25%	0.252	C	S	.	.	H	α-helix	trans	-63.6	-30	-177	0	0	0	0	0	112.6	E676 P677 L678 I682 S683 A684	E676-A680 HydrophobicContact CG-CB 3.75Å; P677-A680 VanDerWaalsContact O-CB 3.28Å; P677-A680 WeakPolarHBondContact O-CB 3.38Å; P677-A680 PolarHBondContact O-N 3.12Å; L678-A680 VanDerWaalsContact C-N 3.28Å; L678-A680 PolarHBondContact O-N 3.25Å; A680-I682 PolarHBondContact O-N 3.2Å; A680-I682 VanDerWaalsContact O-N 3.13Å; A680-S683 PolarHBondContact O-N 3.22Å; A680-S683 PolarHBondContact O-OG 2.8Å; A680-A684 PolarHBondContact O-N 3.41Å
681	M	84.5	Confident	86	Confident	12 Å²	12	46.6 Å²	46.6	6%	0.059	26%	0.263	C	S	.	.	H	α-helix	trans	-63.8	-16.4	178.9	-58	-176.9	-178.2	0	0	113.5	F640 I656 T658 L678 E679	F640-M681 WeakPolarHBondContact CB-O 3.2Å; F640-M681 HydrophobicContact CD2-CB 3.77Å; F640-M681 HydrophobicContact CD2-SD 4.39Å; F640-M681 HydrophobicContact CE2-CB 4.05Å; F640-M681 HydrophobicContact CE2-SD 3.86Å; F640-M681 HydrophobicContact CG-CB 4.1Å; I656-M681 HydrophobicContact CB-CE 4.23Å; I656-M681 HydrophobicContact CB-SD 4.47Å; I656-M681 HydrophobicContact CG2-CE 4.07Å; I656-M681 HydrophobicContact CG2-SD 3.74Å; I656-M681 WeakPolarHBondContact O-CE 3.35Å; T658-M681 HydrophobicContact CG2-CB 4.09Å; T658-M681 HydrophobicContact CG2-CE 4.48Å; T658-M681 HydrophobicContact CG2-CG 3.81Å; T658-M681 HydrophobicContact CG2-SD 3.75Å; L678-M681 HydrophobicContact CD1-CE 3.72Å; L678-M681 HydrophobicContact CD1-SD 3.68Å; L678-M681 HydrophobicContact CG-SD 4.29Å; L678-M681 WeakPolarHBondContact O-CB 3.34Å; L678-M681 PolarHBondContact O-N 3.18Å; E679-M681 PolarHBondContact O-N 3.36Å
682	I	82.8	Confident	86.1	Confident	72 Å²	72	47.4 Å²	47.4	37%	0.369	27%	0.266	S	S	.	.	H	α-helix	trans	-71.7	-40.8	172.2	-64.1	171.2	0	0	0	111	F640 P642 L645 E679 A680	F640-I682 HydrophobicContact CD1-CG1 4.39Å; P642-I682 HydrophobicContact CB-CD1 3.8Å; P642-I682 HydrophobicContact CB-CG1 4.48Å; P642-I682 HydrophobicContact CG-CD1 4.14Å; P642-I682 HydrophobicContact CG-CG1 4.43Å; P642-I682 HydrophobicContact CG-CG2 4.02Å; L645-I682 HydrophobicContact CD1-CD1 3.49Å; L645-I682 VanDerWaalsContact CD1-CD1 3.49Å; L645-I682 HydrophobicContact CD1-CG1 4.19Å; L645-I682 HydrophobicContact CG-CD1 4.21Å; E679-I682 WeakPolarHBondContact O-CB 3.47Å; E679-I682 PolarHBondContact O-N 2.84Å; A680-I682 PolarHBondContact O-N 3.2Å; A680-I682 VanDerWaalsContact O-N 3.13Å
683	S	82.4	Confident	86.3	Confident	66 Å²	66	49.2 Å²	49.2	46%	0.462	28%	0.281	S	S	.	.	H	α-helix	trans	-93.8	-35.8	-174	36.6	0	0	0	0	113.5	A680 S753	A680-S683 PolarHBondContact O-N 3.22Å; A680-S683 PolarHBondContact O-OG 2.8Å; S683-S753 WeakPolarHBondContact O-CB 3.42Å; S683-S753 PolarHBondContact O-OG 3.27Å
684	A	88.9	Confident	86.9	Confident	6 Å²	6	49.5 Å²	49.5	5%	0.05	29%	0.286	C	S	.	.			trans	-118.6	154.9	-170	0	0	0	0	0	112.6	A680 L751 I752	A680-A684 PolarHBondContact O-N 3.41Å; A684-L751 HydrophobicContact CB-CD1 3.58Å; A684-L751 HydrophobicContact CB-CD2 3.74Å; A684-L751 HydrophobicContact CB-CG 3.49Å; A684-L751 VanDerWaalsContact CB-CG 3.49Å; A684-I752 WeakPolarHBondContact CA-O 3.46Å; A684-I752 WeakPolarHBondContact CB-O 3.49Å
685	V	90.2	Very high	87.7	Confident	29 Å²	29	46.3 Å²	46.3	18%	0.176	27%	0.267	C	S	.	.			trans	-97.1	-1.5	172.5	-71.2	0	0	0	0	113	G659 I670 I752 L754	G659-V685 WeakPolarHBondContact CA-O 3.39Å; I670-V685 HydrophobicContact CG2-CB 4.45Å; I670-V685 HydrophobicContact CG2-CG2 4.05Å; I670-V685 WeakPolarHBondContact CG2-O 3.18Å; V685-I752 HydrophobicContact CG2-CB 4.26Å; V685-I752 HydrophobicContact CG2-CG2 4.2Å; V685-I752 WeakPolarHBondContact CG2-O 3.49Å; V685-I752 PolarHBondContact N-O 3.04Å; V685-L754 HydrophobicContact CG1-CD1 3.86Å; V685-L754 HydrophobicContact CG1-CG 3.89Å; V685-L754 HydrophobicContact CG2-CD1 4.44Å; V685-L754 HydrophobicContact CG2-CD2 4.27Å; V685-L754 HydrophobicContact CG2-CG 3.88Å
686	G	92.8	Very high	88.8	Confident	2 Å²	2	37.9 Å²	37.9	2%	0.021	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	104.2	-156.3	178.7	0	0	0	0	0	113.4	I670 V671 I752	I670-G686 VanDerWaalsContact CG2-C 3.44Å; V671-G686 WeakPolarHBondContact O-CA 3.27Å; G686-I752 WeakPolarHBondContact O-CB 3.25Å; G686-I752 PolarHBondContact O-N 3.35Å
687	K	94.1	Very high	89.7	Confident	64 Å²	64	36.5 Å²	36.5	28%	0.278	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	164.7	-175.6	-52.9	-166.1	179.2	-175.4	0	110	I670 V671 P673 A689 D749 G750 L751	I670-K687 CarbonylContact C-O 3.58Å; I670-K687 VanDerWaalsContact CA-O 3.27Å; I670-K687 WeakPolarHBondContact CA-O 3.49Å; I670-K687 WeakPolarHBondContact CG2-O 3.38Å; V671-K687 PolarHBondContact N-O 3.15Å; V671-K687 PolarHBondContact O-N 2.92Å; P673-K687 HydrophobicContact CG-CD 3.91Å; P673-K687 HydrophobicContact CG-CG 3.86Å; K687-A689 PolarHBondContact O-N 3.12Å; K687-D749 WeakPolarHBondContact CE-O 3.41Å; K687-D749 PolarHBondContact NZ-O 3.16Å; K687-G750 WeakPolarHBondContact CG-O 3.14Å; K687-L751 HydrophobicContact CG-CD1 4.17Å
688	A	94.7	Very high	90.4	Very high	42 Å²	42	35.1 Å²	35.1	35%	0.347	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.3	132.3	175	0	0	0	0	0	110.5	P669 A694	P669-A688 WeakPolarHBondContact O-CA 3.43Å; A688-A694 HydrophobicContact CB-CB 4.14Å
689	A	93.9	Very high	90.7	Very high	4 Å²	4	41 Å²	41	3%	0.033	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-75.9	159.3	-178.8	0	0	0	0	0	111.6	A668 P669 V671 K687 G691 F692	A668-A689 WeakPolarHBondContact O-CB 3.14Å; P669-A689 PolarHBondContact O-N 3.17Å; V671-A689 HydrophobicContact CG1-CB 4.27Å; V671-A689 HydrophobicContact CG2-CB 3.84Å; K687-A689 PolarHBondContact O-N 3.12Å; A689-G691 PolarHBondContact O-N 3.37Å; A689-F692 HydrophobicContact CB-CD2 3.85Å; A689-F692 HydrophobicContact CB-CE2 4.41Å; A689-F692 WeakPolarHBondContact O-CB 3.2Å; A689-F692 PolarHBondContact O-N 3.38Å
690	D	91.8	Very high	90.9	Very high	86 Å²	86	44.3 Å²	44.3	46%	0.46	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	124.5	-176.9	-63.7	-6.7	0	0	0	111	F307 S543 F692 I717	F307-D690 HydrophobicContact CD2-CB 4.24Å; S543-D690 WeakPolarHBondContact CB-O 3.4Å; S543-D690 PolarHBondContact OG-N 3.06Å; S543-D690 PolarHBondContact OG-O 3.47Å; D690-F692 VanDerWaalsContact C-N 3.34Å; D690-I717 WeakPolarHBondContact O-CD1 3.27Å
691	G	92.7	Very high	91.1	Very high	21 Å²	21	44.6 Å²	44.6	22%	0.216	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.5	-5.3	-177.5	0	0	0	0	0	115.4	A689 I717 E718	A689-G691 PolarHBondContact O-N 3.37Å; G691-I717 CarbonylContact O-C 3.5Å; G691-I717 WeakPolarHBondContact O-CA 3.38Å; G691-E718 PolarHBondContact O-N 3.08Å
692	F	94.8	Very high	91.4	Very high	19 Å²	19	47.9 Å²	47.9	8%	0.083	28%	0.275	C	S	.	.			trans	-99.8	160.5	171.4	-66	-89.6	0	0	0	111.3	A540 A665 P669 A689 D690 I717	A540-F692 HydrophobicContact CB-CZ 3.82Å; A665-F692 HydrophobicContact CB-CE1 4.01Å; P669-F692 HydrophobicContact CB-CB 4.38Å; P669-F692 HydrophobicContact CB-CD1 3.67Å; P669-F692 HydrophobicContact CB-CE1 3.99Å; P669-F692 HydrophobicContact CB-CG 3.97Å; A689-F692 HydrophobicContact CB-CD2 3.85Å; A689-F692 HydrophobicContact CB-CE2 4.41Å; A689-F692 WeakPolarHBondContact O-CB 3.2Å; A689-F692 PolarHBondContact O-N 3.38Å; D690-F692 VanDerWaalsContact C-N 3.34Å; F692-I717 HydrophobicContact CD1-CB 4.41Å; F692-I717 HydrophobicContact CD2-CD1 3.67Å; F692-I717 HydrophobicContact CE1-CB 3.97Å; F692-I717 HydrophobicContact CE1-CD1 4.46Å; F692-I717 HydrophobicContact CE2-CB 4.44Å; F692-I717 HydrophobicContact CE2-CD1 3.49Å; F692-I717 VanDerWaalsContact CE2-CD1 3.49Å; F692-I717 HydrophobicContact CG-CD1 4.27Å; F692-I717 HydrophobicContact CZ-CB 4Å; F692-I717 HydrophobicContact CZ-CD1 3.92Å
693	A	94	Very high	92	Very high	40 Å²	40	49.7 Å²	49.7	33%	0.331	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	147.1	167.7	0	0	0	0	0	110.7	S715 W737	A693-S715 PolarHBondContact O-N 2.89Å; A693-W737 HydrophobicContact CB-CH2 3.85Å; A693-W737 HydrophobicContact CB-CZ3 4.31Å
694	A	95.1	Very high	92.6	Very high	34 Å²	34	47.9 Å²	47.9	28%	0.281	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	143.1	177.1	0	0	0	0	0	109.8	A688 L712 W713 I714 I752	A688-A694 HydrophobicContact CB-CB 4.14Å; A694-L712 HydrophobicContact CB-CD1 4.34Å; A694-W713 WeakPolarHBondContact CA-O 3.38Å; A694-I714 HydrophobicContact CB-CD1 3.71Å; A694-I752 HydrophobicContact CB-CD1 3.72Å
695	K	94.3	Very high	92.9	Very high	36 Å²	36	52.1 Å²	52.1	16%	0.157	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	153.6	169.8	66.3	175.9	-175.6	164	0	109.9	V697 N703 W713 W737	K695-V697 HydrophobicContact CD-CG1 3.69Å; K695-V697 HydrophobicContact CG-CG1 3.94Å; K695-N703 WeakPolarHBondContact CD-OD1 3.24Å; K695-W713 HydrophobicContact CG-CB 3.92Å; K695-W713 PolarHBondContact N-O 3.21Å; K695-W713 PolarHBondContact O-N 3.48Å; K695-W737 HydrophobicContact CB-CH2 4.31Å; K695-W737 HydrophobicContact CB-CZ3 4.21Å; K695-W737 HydrophobicContact CD-CD2 4.15Å; K695-W737 HydrophobicContact CD-CE3 4.15Å; K695-W737 HydrophobicContact CD-CH2 4.14Å; K695-W737 HydrophobicContact CD-CZ2 4.12Å; K695-W737 HydrophobicContact CD-CZ3 4.16Å; K695-W737 HydrophobicContact CG-CD2 4.37Å; K695-W737 HydrophobicContact CG-CE3 3.86Å; K695-W737 HydrophobicContact CG-CH2 4.03Å; K695-W737 HydrophobicContact CG-CZ3 3.69Å
696	V	96.4	Very high	93.1	Very high	9 Å²	9	52.6 Å²	52.6	6%	0.055	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	130.5	168.8	170.3	0	0	0	0	107.9	N703 C704 G710 E711 L712 A744 V746	V696-N703 WeakPolarHBondContact O-CA 3.48Å; V696-C704 HydrophobicContact CG1-CB 4.06Å; V696-C704 PolarHBondContact O-N 3.39Å; V696-G710 VanDerWaalsContact CG1-CA 3.43Å; V696-E711 CarbonylContact C-O 3.59Å; V696-E711 VanDerWaalsContact CA-O 3.32Å; V696-E711 WeakPolarHBondContact CA-O 3.46Å; V696-L712 HydrophobicContact CG2-CD1 4.13Å; V696-A744 WeakPolarHBondContact CG1-O 3.45Å; V696-A744 HydrophobicContact CG2-CB 3.75Å; V696-V746 HydrophobicContact CB-CG2 3.97Å; V696-V746 HydrophobicContact CG2-CG2 3.44Å; V696-V746 VanDerWaalsContact CG2-CG2 3.44Å
697	V	94.7	Very high	93.1	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.006	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	153.7	-172.7	-61.4	0	0	0	0	114	K695 G701 T702 G710 E711 W713	K695-V697 HydrophobicContact CD-CG1 3.69Å; K695-V697 HydrophobicContact CG-CG1 3.94Å; V697-G701 WeakPolarHBondContact CG1-O 3.47Å; V697-T702 CarbonylContact C-O 3.58Å; V697-T702 WeakPolarHBondContact CA-O 2.99Å; V697-T702 WeakPolarHBondContact CB-O 3.46Å; V697-G710 CarbonylContact O-C 3.59Å; V697-G710 WeakPolarHBondContact O-CA 3.46Å; V697-E711 HydrophobicContact CG2-CB 4.41Å; V697-E711 PolarHBondContact N-O 3.18Å; V697-E711 PolarHBondContact O-N 2.89Å; V697-W713 HydrophobicContact CG2-CD2 3.84Å; V697-W713 VanDerWaalsContact CG2-CE2 3.46Å; V697-W713 HydrophobicContact CG2-CG 4.02Å; V697-W713 HydrophobicContact CG2-CZ2 3.88Å
698	D	93	Very high	93.1	Very high	57 Å²	57	57.3 Å²	57.3	31%	0.305	34%	0.336	S	S	.	.			trans	-75.8	-174.4	172.1	69.4	12.9	0	0	0	112.4	Q700 G701 T702 C704	D698-Q700 PolarHBondContact O-N 2.84Å; D698-Q700 VanDerWaalsContact O-N 3.17Å; D698-Q700 VanDerWaalsContact OD1-CA 3.26Å; D698-Q700 WeakPolarHBondContact OD1-CA 3.47Å; D698-Q700 VanDerWaalsContact OD1-CB 3.3Å; D698-Q700 WeakPolarHBondContact OD1-CB 3.41Å; D698-Q700 PolarHBondContact OD1-N 3.1Å; D698-G701 PolarHBondContact O-N 3.12Å; D698-G701 PolarHBondContact OD1-N 2.95Å; D698-T702 PolarHBondContact N-O 3.09Å; D698-T702 WeakPolarHBondContact OD1-CB 3.29Å; D698-T702 PolarHBondContact OD1-N 2.63Å; D698-T702 PolarHBondContact OD1-OG1 3.5Å; D698-T702 WeakPolarHBondContact OD2-CB 3.26Å; D698-T702 PolarHBondContact OD2-OG1 3.13Å; D698-C704 PolarHBondContact N-SG 3.35Å; D698-C704 VanDerWaalsContact N-SG 3.45Å
699	K	86.2	Confident	93.1	Very high	158 Å²	158	57.7 Å²	57.7	69%	0.687	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-7.1	178.7	-65.4	-173.4	174.7	-170.9	0	113.9	Y763	K699-Y763 VanDerWaalsContact CE-OH 3.27Å; K699-Y763 WeakPolarHBondContact CE-OH 3.41Å; K699-Y763 VanDerWaalsContact NZ-CZ 3.33Å; K699-Y763 PolarHBondContact NZ-OH 2.96Å
700	Q	87.2	Confident	93.1	Very high	155 Å²	155	57.8 Å²	57.8	72%	0.724	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.5	-5	-178.8	-68.6	75.8	4.3	0	0	111.4	D698 T702	D698-Q700 PolarHBondContact O-N 2.84Å; D698-Q700 VanDerWaalsContact O-N 3.17Å; D698-Q700 VanDerWaalsContact OD1-CA 3.26Å; D698-Q700 WeakPolarHBondContact OD1-CA 3.47Å; D698-Q700 VanDerWaalsContact OD1-CB 3.3Å; D698-Q700 WeakPolarHBondContact OD1-CB 3.41Å; D698-Q700 PolarHBondContact OD1-N 3.1Å; Q700-T702 VanDerWaalsContact C-N 3.35Å
701	G	87.8	Confident	93.3	Very high	23 Å²	23	55.6 Å²	55.6	24%	0.237	32%	0.321	C	S	.	.	S	Bend	trans	85.7	3.3	-176.4	0	0	0	0	0	114.1	V697 D698	V697-G701 WeakPolarHBondContact CG1-O 3.47Å; D698-G701 PolarHBondContact O-N 3.12Å; D698-G701 PolarHBondContact OD1-N 2.95Å
702	T	92.6	Very high	93.4	Very high	82 Å²	82	54.6 Å²	54.6	50%	0.503	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-75.1	139.3	177.5	-26.1	0	0	0	0	110.2	V697 D698 Q700 C704	V697-T702 CarbonylContact C-O 3.58Å; V697-T702 WeakPolarHBondContact CA-O 2.99Å; V697-T702 WeakPolarHBondContact CB-O 3.46Å; D698-T702 PolarHBondContact N-O 3.09Å; D698-T702 WeakPolarHBondContact OD1-CB 3.29Å; D698-T702 PolarHBondContact OD1-N 2.63Å; D698-T702 PolarHBondContact OD1-OG1 3.5Å; D698-T702 WeakPolarHBondContact OD2-CB 3.26Å; D698-T702 PolarHBondContact OD2-OG1 3.13Å; Q700-T702 VanDerWaalsContact C-N 3.35Å; T702-C704 PolarHBondContact O-N 2.88Å
703	N	94.2	Very high	93.4	Very high	110 Å²	110	54.4 Å²	54.4	59%	0.588	31%	0.309	S	S	*	.	B	Isolated β-bridge	trans	-58.9	127.7	174.2	-67.5	-2.3	0	0	0	110.9	K695 V696	K695-N703 WeakPolarHBondContact CD-OD1 3.24Å; V696-N703 WeakPolarHBondContact O-CA 3.48Å
704	C	95.6	Very high	93.5	Very high	27 Å²	27	52.5 Å²	52.5	18%	0.182	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-67.9	149	171.5	-68	0	0	0	0	111.1	V696 D698 T702 T708	V696-C704 HydrophobicContact CG1-CB 4.06Å; V696-C704 PolarHBondContact O-N 3.39Å; D698-C704 PolarHBondContact N-SG 3.35Å; D698-C704 VanDerWaalsContact N-SG 3.45Å; T702-C704 PolarHBondContact O-N 2.88Å; C704-T708 HydrophobicContact CB-CG2 4.15Å
705	P	95	Very high	93.4	Very high	95 Å²	95	52 Å²	52	62%	0.617	29%	0.288	S	S	*	.	P	Polyproline II helix	trans	-60	166	163.2	-20.3	33	0	0	0	111.9	T708	P705-T708 VanDerWaalsContact O-CB 3.31Å; P705-T708 WeakPolarHBondContact O-CB 3.18Å; P705-T708 PolarHBondContact O-N 3.31Å; P705-T708 PolarHBondContact O-OG1 2.97Å
706	A	94.1	Very high	93.3	Very high	40 Å²	40	50.5 Å²	50.5	33%	0.331	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	152.6	168.5	0	0	0	0	0	111.4	T708 V746 N748	A706-T708 PolarHBondContact O-N 2.83Å; A706-T708 PolarHBondContact O-OG1 3.38Å; A706-V746 CarbonylContact C-O 3.32Å; A706-V746 VanDerWaalsContact CA-O 3.31Å; A706-V746 WeakPolarHBondContact CA-O 3.28Å; A706-N748 WeakPolarHBondContact CB-OD1 3.48Å
707	D	92.6	Very high	93.2	Very high	106 Å²	106	50.2 Å²	50.2	57%	0.567	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.2	11.2	178.8	-57.4	-60.2	0	0	0	115.2	V745 V746 N748	D707-V745 VanDerWaalsContact CA-CG1 3.46Å; D707-V746 PolarHBondContact N-O 3.28Å; D707-N748 PolarHBondContact OD2-ND2 3.3Å; D707-N748 VanDerWaalsContact OD2-ND2 3.14Å
708	T	94.4	Very high	93.1	Very high	58 Å²	58	56 Å²	56	36%	0.356	31%	0.307	S	S	.	.			trans	-102.8	138.9	179.6	-55.9	0	0	0	0	111.6	C704 P705 A706	C704-T708 HydrophobicContact CB-CG2 4.15Å; P705-T708 VanDerWaalsContact O-CB 3.31Å; P705-T708 WeakPolarHBondContact O-CB 3.18Å; P705-T708 PolarHBondContact O-N 3.31Å; P705-T708 PolarHBondContact O-OG1 2.97Å; A706-T708 PolarHBondContact O-N 2.83Å; A706-T708 PolarHBondContact O-OG1 3.38Å
709	I	94.1	Very high	92.9	Very high	50 Å²	50	56.8 Å²	56.8	26%	0.256	33%	0.328	S	S	.	.			trans	-80.5	126.5	178.7	-58.8	172.1	0	0	0	110.8	L743 V745 V755 Y770	I709-L743 HydrophobicContact CG2-CB 4.35Å; I709-L743 HydrophobicContact CG2-CD2 4.43Å; I709-V745 HydrophobicContact CB-CG2 4.36Å; I709-V745 HydrophobicContact CG1-CG2 3.58Å; I709-V755 HydrophobicContact CG1-CG2 4.29Å; I709-V755 HydrophobicContact CG2-CG2 3.88Å; I709-Y770 HydrophobicContact CD1-CD2 3.84Å; I709-Y770 HydrophobicContact CD1-CE2 3.72Å; I709-Y770 HydrophobicContact CD1-CG 4.38Å; I709-Y770 HydrophobicContact CG2-CD1 4.36Å; I709-Y770 HydrophobicContact CG2-CE1 3.71Å; I709-Y770 HydrophobicContact CG2-CE2 4.41Å
710	G	95.1	Very high	93.1	Very high	6 Å²	6	50.4 Å²	50.4	6%	0.062	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	-175.3	171.4	0	0	0	0	0	112.5	V696 V697 L743 A744	V696-G710 VanDerWaalsContact CG1-CA 3.43Å; V697-G710 CarbonylContact O-C 3.59Å; V697-G710 WeakPolarHBondContact O-CA 3.46Å; G710-L743 CarbonylContact O-C 3.6Å; G710-L743 VanDerWaalsContact O-CA 3.25Å; G710-L743 WeakPolarHBondContact O-CA 3.35Å; G710-L743 WeakPolarHBondContact O-CD2 3.28Å; G710-A744 PolarHBondContact N-O 3.04Å; G710-A744 VanDerWaalsContact N-O 3.13Å; G710-A744 PolarHBondContact O-N 2.89Å
711	E	95.2	Very high	93.2	Very high	40 Å²	40	49.4 Å²	49.4	19%	0.187	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	134.1	171.1	-170.9	-176.9	-166.6	0	0	110.7	V696 V697 W713 G741 D742 V758	V696-E711 CarbonylContact C-O 3.59Å; V696-E711 VanDerWaalsContact CA-O 3.32Å; V696-E711 WeakPolarHBondContact CA-O 3.46Å; V697-E711 HydrophobicContact CG2-CB 4.41Å; V697-E711 PolarHBondContact N-O 3.18Å; V697-E711 PolarHBondContact O-N 2.89Å; E711-W713 VanDerWaalsContact CD-NE1 3.31Å; E711-W713 PolarHBondContact OE2-NE1 2.93Å; E711-G741 WeakPolarHBondContact OE1-CA 3.28Å; E711-G741 PolarHBondContact OE1-N 3.21Å; E711-D742 WeakPolarHBondContact CA-O 3.13Å; E711-D742 WeakPolarHBondContact CG-O 3.3Å; E711-V758 HydrophobicContact CB-CG2 3.96Å; E711-V758 HydrophobicContact CG-CG2 3.65Å
712	L	95.5	Very high	93.2	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	118.3	173.1	179.4	60	0	0	0	110.7	M660 I670 A694 V696 I714 T740 D742 A744 I752 L754	M660-L712 HydrophobicContact CE-CD2 4.08Å; M660-L712 HydrophobicContact SD-CD2 3.66Å; I670-L712 HydrophobicContact CD1-CD1 4.34Å; I670-L712 HydrophobicContact CD1-CD2 3.8Å; A694-L712 HydrophobicContact CB-CD1 4.34Å; V696-L712 HydrophobicContact CG2-CD1 4.13Å; L712-I714 HydrophobicContact CD1-CD1 4.01Å; L712-I714 HydrophobicContact CD2-CD1 4.44Å; L712-I714 HydrophobicContact CG-CD1 4.13Å; L712-I714 HydrophobicContact CG-CG1 4.43Å; L712-T740 HydrophobicContact CG-CG2 4.46Å; L712-T740 WeakPolarHBondContact O-CB 3.45Å; L712-T740 VanDerWaalsContact O-CG2 3.32Å; L712-T740 WeakPolarHBondContact O-CG2 3.44Å; L712-T740 PolarHBondContact O-N 2.78Å; L712-T740 PolarHBondContact O-OG1 2.8Å; L712-D742 HydrophobicContact CB-CB 4.46Å; L712-D742 PolarHBondContact N-O 3.34Å; L712-A744 HydrophobicContact CB-CB 3.84Å; L712-A744 HydrophobicContact CD1-CB 4.36Å; L712-A744 HydrophobicContact CD2-CB 4.25Å; L712-A744 HydrophobicContact CG-CB 4.38Å; L712-I752 HydrophobicContact CD1-CG2 4.29Å; L712-I752 HydrophobicContact CD2-CG2 4.44Å; L712-L754 HydrophobicContact CD2-CD2 3.76Å
713	W	95.1	Very high	93	Very high	15 Å²	15	46.8 Å²	46.8	6%	0.057	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	138.4	172.2	-70	18.9	0	0	0	109.9	A694 K695 V697 E711 D734 W737 I738 K739	A694-W713 WeakPolarHBondContact CA-O 3.38Å; K695-W713 HydrophobicContact CG-CB 3.92Å; K695-W713 PolarHBondContact N-O 3.21Å; K695-W713 PolarHBondContact O-N 3.48Å; V697-W713 HydrophobicContact CG2-CD2 3.84Å; V697-W713 VanDerWaalsContact CG2-CE2 3.46Å; V697-W713 HydrophobicContact CG2-CG 4.02Å; V697-W713 HydrophobicContact CG2-CZ2 3.88Å; E711-W713 VanDerWaalsContact CD-NE1 3.31Å; E711-W713 PolarHBondContact OE2-NE1 2.93Å; W713-D734 HydrophobicContact CH2-CB 3.92Å; W713-D734 VanDerWaalsContact CH2-OD2 3.27Å; W713-D734 WeakPolarHBondContact CH2-OD2 3.11Å; W713-D734 HydrophobicContact CZ3-CB 3.65Å; W713-D734 VanDerWaalsContact CZ3-OD2 3.28Å; W713-D734 WeakPolarHBondContact CZ3-OD2 3.27Å; W713-W737 HydrophobicContact CB-CB 4.3Å; W713-W737 HydrophobicContact CB-CE3 4.04Å; W713-W737 HydrophobicContact CD2-CB 4.44Å; W713-W737 HydrophobicContact CE3-CB 3.69Å; W713-W737 HydrophobicContact CE3-CG 4.11Å; W713-W737 HydrophobicContact CZ3-CB 4.49Å; W713-I738 WeakPolarHBondContact CA-O 3.43Å; W713-K739 HydrophobicContact CD2-CG 4.08Å; W713-K739 HydrophobicContact CG-CG 4.45Å; W713-K739 HydrophobicContact CZ2-CD 4.03Å; W713-K739 HydrophobicContact CZ2-CG 4.05Å
714	I	95	Very high	92.6	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	125.5	-175.9	-62.1	-61.7	0	0	0	109.9	L662 A665 P669 I670 A694 L712 I738 T740	L662-I714 HydrophobicContact CD2-CB 4.43Å; L662-I714 HydrophobicContact CD2-CG1 4.28Å; A665-I714 HydrophobicContact CB-CG2 4.42Å; P669-I714 HydrophobicContact CB-CD1 4.49Å; P669-I714 HydrophobicContact CB-CG2 3.53Å; P669-I714 HydrophobicContact CG-CG1 4.48Å; P669-I714 HydrophobicContact CG-CG2 3.97Å; I670-I714 HydrophobicContact CD1-CD1 3.95Å; I670-I714 HydrophobicContact CG1-CD1 4.13Å; A694-I714 HydrophobicContact CB-CD1 3.71Å; L712-I714 HydrophobicContact CD1-CD1 4.01Å; L712-I714 HydrophobicContact CD2-CD1 4.44Å; L712-I714 HydrophobicContact CG-CD1 4.13Å; L712-I714 HydrophobicContact CG-CG1 4.43Å; I714-I738 HydrophobicContact CB-CB 4.46Å; I714-I738 HydrophobicContact CG2-CD1 4.43Å; I714-I738 PolarHBondContact N-O 3.36Å; I714-I738 WeakPolarHBondContact O-CB 3.48Å; I714-I738 WeakPolarHBondContact O-CG1 3.42Å; I714-I738 PolarHBondContact O-N 3.2Å; I714-T740 HydrophobicContact CB-CG2 4.45Å; I714-T740 HydrophobicContact CG1-CG2 3.73Å
715	S	93.3	Very high	92	Very high	24 Å²	24	41 Å²	41	17%	0.168	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	137.8	164.6	-168.9	0	0	0	0	108.9	A693 W737	A693-S715 PolarHBondContact O-N 2.89Å; S715-W737 VanDerWaalsContact N-CE3 3.27Å
716	P	91.9	Very high	91.1	Very high	4 Å²	4	37.4 Å²	37.4	3%	0.026	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-54.3	170.3	168.6	-23.9	32.6	0	0	0	113.4	E718 F722 N736 I738	P716-E718 PolarHBondContact O-N 3.17Å; P716-F722 HydrophobicContact CG-CB 3.91Å; P716-N736 WeakPolarHBondContact CD-O 3.47Å; P716-I738 HydrophobicContact CG-CD1 4.16Å; P716-I738 HydrophobicContact CG-CG1 4.41Å
717	I	93.7	Very high	89.6	Confident	3 Å²	3	38 Å²	38	2%	0.015	21%	0.209	C	C	.	.	S	Bend	trans	-55.2	137.6	172.8	-164.3	76.3	0	0	0	111.1	F307 Y535 N539 D690 G691 F692 S720	F307-I717 HydrophobicContact CE1-CD1 4.01Å; F307-I717 HydrophobicContact CE1-CG1 3.89Å; F307-I717 HydrophobicContact CE2-CD1 4.24Å; F307-I717 HydrophobicContact CZ-CD1 3.75Å; F307-I717 HydrophobicContact CZ-CG1 3.97Å; Y535-I717 HydrophobicContact CD1-CG2 4.42Å; Y535-I717 HydrophobicContact CE1-CG2 4.25Å; N539-I717 HydrophobicContact CB-CG1 3.86Å; N539-I717 HydrophobicContact CB-CG2 4.14Å; D690-I717 WeakPolarHBondContact O-CD1 3.27Å; G691-I717 CarbonylContact O-C 3.5Å; G691-I717 WeakPolarHBondContact O-CA 3.38Å; F692-I717 HydrophobicContact CD1-CB 4.41Å; F692-I717 HydrophobicContact CD2-CD1 3.67Å; F692-I717 HydrophobicContact CE1-CB 3.97Å; F692-I717 HydrophobicContact CE1-CD1 4.46Å; F692-I717 HydrophobicContact CE2-CB 4.44Å; F692-I717 HydrophobicContact CE2-CD1 3.49Å; F692-I717 VanDerWaalsContact CE2-CD1 3.49Å; F692-I717 HydrophobicContact CG-CD1 4.27Å; F692-I717 HydrophobicContact CZ-CB 4Å; F692-I717 HydrophobicContact CZ-CD1 3.92Å; I717-S720 WeakPolarHBondContact O-CA 3.4Å; I717-S720 WeakPolarHBondContact O-CB 3.44Å; I717-S720 PolarHBondContact O-N 2.94Å
718	E	93	Very high	88	Confident	124 Å²	124	34.4 Å²	34.4	58%	0.579	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48.2	141.3	-177.8	-171.9	178.8	-179.6	0	0	112.1	Y535 G691 P716 S720	Y535-E718 WeakPolarHBondContact CE1-O 3.39Å; Y535-E718 PolarHBondContact OH-O 3.32Å; G691-E718 PolarHBondContact O-N 3.08Å; P716-E718 PolarHBondContact O-N 3.17Å; E718-S720 PolarHBondContact O-N 2.95Å
719	G	89.7	Confident	85.8	Confident	73 Å²	73	37.3 Å²	37.3	75%	0.753	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.6	0.7	-172.6	0	0	0	0	0	114.5
720	S	90.6	Very high	83.8	Confident	23 Å²	23	39.9 Å²	39.9	16%	0.161	22%	0.224	C	C	.	.			trans	-124	169.7	-179.9	-144.2	0	0	0	0	114.6	Q536 I717 E718 N736	Q536-S720 WeakPolarHBondContact CG-OG 3.32Å; I717-S720 WeakPolarHBondContact O-CA 3.4Å; I717-S720 WeakPolarHBondContact O-CB 3.44Å; I717-S720 PolarHBondContact O-N 2.94Å; E718-S720 PolarHBondContact O-N 2.95Å; S720-N736 PolarHBondContact O-ND2 2.83Å; S720-N736 VanDerWaalsContact O-ND2 3.08Å
721	K	88.7	Confident	81.8	Confident	135 Å²	135	44.7 Å²	44.7	59%	0.587	25%	0.252	S	S	*	.			trans	-134.5	152.9	175.9	70.1	-178.8	178.8	-174.1	0	112.6	Q536 L723 N736	Q536-K721 PolarHBondContact NE2-O 2.93Å; K721-L723 HydrophobicContact CG-CD2 4.18Å; K721-L723 PolarHBondContact O-N 3.48Å; K721-N736 WeakPolarHBondContact CA-OD1 3.28Å; K721-N736 WeakPolarHBondContact CB-OD1 3.47Å
722	F	88	Confident	80.2	Confident	10 Å²	10	44.7 Å²	44.7	4%	0.044	25%	0.253	C	S	.	.			trans	-71.1	115	174.7	-179.8	-144.6	0	0	0	109	V530 E664 P716 G724 Y725 I733 N736 I738	V530-F722 HydrophobicContact CG1-CE2 4.03Å; E664-F722 HydrophobicContact CB-CE2 4.26Å; E664-F722 HydrophobicContact CB-CZ 4.36Å; E664-F722 HydrophobicContact CG-CZ 4.3Å; P716-F722 HydrophobicContact CG-CB 3.91Å; F722-G724 PolarHBondContact O-N 2.85Å; F722-G724 VanDerWaalsContact O-N 3.12Å; F722-Y725 HydrophobicContact CE1-CD2 4.49Å; F722-Y725 HydrophobicContact CE1-CE2 4.03Å; F722-Y725 HydrophobicContact CZ-CD1 4.36Å; F722-Y725 HydrophobicContact CZ-CD2 4.1Å; F722-Y725 HydrophobicContact CZ-CE1 4.13Å; F722-Y725 AromaticContact CZ-CE2 3.78Å; F722-Y725 HydrophobicContact CZ-CE2 3.78Å; F722-Y725 HydrophobicContact CZ-CG 4.4Å; F722-Y725 AromaticContact CZ-CZ 3.85Å; F722-I733 HydrophobicContact CD1-CD1 3.7Å; F722-I733 HydrophobicContact CD1-CG1 3.72Å; F722-I733 HydrophobicContact CE1-CD1 4.12Å; F722-I733 HydrophobicContact CE1-CG1 3.98Å; F722-I733 HydrophobicContact CG-CD1 4.43Å; F722-N736 PolarHBondContact N-OD1 2.97Å; F722-I738 HydrophobicContact CB-CD1 4.48Å; F722-I738 HydrophobicContact CB-CG1 3.89Å; F722-I738 HydrophobicContact CD1-CB 4.5Å; F722-I738 HydrophobicContact CD1-CG1 3.76Å; F722-I738 HydrophobicContact CD2-CG1 4.38Å; F722-I738 HydrophobicContact CE1-CG1 4.41Å; F722-I738 HydrophobicContact CE1-CG2 4.47Å; F722-I738 HydrophobicContact CG-CD1 4.4Å; F722-I738 HydrophobicContact CG-CG1 3.76Å
723	L	87.6	Confident	78.6	Confident	39 Å²	39	46.3 Å²	46.3	20%	0.204	26%	0.262	C	S	.	.			trans	-74.6	4.6	-178.8	-57	179.7	0	0	0	113.6	L514 R531 K721	L514-L723 HydrophobicContact CD1-CD1 4.08Å; R531-L723 HydrophobicContact CB-CB 3.74Å; R531-L723 PolarHBondContact NH1-O 3.42Å; K721-L723 HydrophobicContact CG-CD2 4.18Å; K721-L723 PolarHBondContact O-N 3.48Å
724	G	85.4	Confident	77.3	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.01	28%	0.28	C	S	.	.			trans	72.3	-173.7	-177.4	0	0	0	0	0	113.6	R531 F722	R531-G724 WeakPolarHBondContact CB-O 3.22Å; R531-G724 PolarHBondContact N-O 3.39Å; F722-G724 PolarHBondContact O-N 2.85Å; F722-G724 VanDerWaalsContact O-N 3.12Å
725	Y	83.5	Confident	76.3	Confident	15 Å²	15	56.2 Å²	56.2	6%	0.059	32%	0.316	C	S	.	.	B	Isolated β-bridge	trans	-92.6	147.2	169	-48.1	-85.6	0	0	0	109.8	T520 K528 P529 V530 E664 F722 Y727 S728 D732	T520-Y725 HydrophobicContact CG2-CE1 4.46Å; K528-Y725 HydrophobicContact CB-CD1 3.56Å; K528-Y725 HydrophobicContact CB-CE1 3.65Å; K528-Y725 HydrophobicContact CB-CG 4.3Å; K528-Y725 HydrophobicContact CD-CD1 3.82Å; K528-Y725 HydrophobicContact CD-CD2 4.07Å; K528-Y725 HydrophobicContact CD-CE1 3.47Å; K528-Y725 VanDerWaalsContact CD-CE1 3.47Å; K528-Y725 HydrophobicContact CD-CE2 3.82Å; K528-Y725 HydrophobicContact CD-CG 4.06Å; K528-Y725 VanDerWaalsContact CD-CZ 3.46Å; K528-Y725 HydrophobicContact CG-CD1 4.26Å; K528-Y725 HydrophobicContact CG-CE1 4.22Å; P529-Y725 WeakPolarHBondContact O-CA 3.45Å; V530-Y725 HydrophobicContact CG2-CD1 4.21Å; V530-Y725 HydrophobicContact CG2-CE1 4.09Å; E664-Y725 HydrophobicContact CG-CE1 3.78Å; E664-Y725 WeakPolarHBondContact CG-OH 3.28Å; E664-Y725 PolarHBondContact OE1-OH 2.95Å; F722-Y725 HydrophobicContact CE1-CD2 4.49Å; F722-Y725 HydrophobicContact CE1-CE2 4.03Å; F722-Y725 HydrophobicContact CZ-CD1 4.36Å; F722-Y725 HydrophobicContact CZ-CD2 4.1Å; F722-Y725 HydrophobicContact CZ-CE1 4.13Å; F722-Y725 AromaticContact CZ-CE2 3.78Å; F722-Y725 HydrophobicContact CZ-CE2 3.78Å; F722-Y725 HydrophobicContact CZ-CG 4.4Å; F722-Y725 AromaticContact CZ-CZ 3.85Å; Y725-Y727 PolarHBondContact O-N 3.19Å; Y725-S728 WeakPolarHBondContact CD2-OG 3.5Å; Y725-S728 PolarHBondContact O-N 3.04Å; Y725-D732 HydrophobicContact CE2-CB 3.92Å; Y725-D732 WeakPolarHBondContact CE2-OD2 3.43Å
726	Q	75.7	Confident	75.8	Confident	20 Å²	20	57.4 Å²	57.4	9%	0.093	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-17.9	179.7	-171.2	57.8	46.2	0	0	114.7	F424 K426 I427 I517 P529 R531	F424-Q726 PolarHBondContact O-NE2 3.05Å; K426-Q726 VanDerWaalsContact O-CG 3.25Å; K426-Q726 WeakPolarHBondContact O-CG 3.37Å; K426-Q726 PolarHBondContact O-NE2 3.24Å; I427-Q726 HydrophobicContact CG1-CG 4.19Å; I517-Q726 HydrophobicContact CD1-CG 4.38Å; P529-Q726 HydrophobicContact CB-CB 3.95Å; P529-Q726 HydrophobicContact CG-CB 3.66Å; P529-Q726 PolarHBondContact O-N 3.44Å; P529-Q726 VanDerWaalsContact O-N 3.12Å; R531-Q726 HydrophobicContact CG-CB 4.28Å
727	Y	63.1	Low	75.7	Confident	52 Å²	52	59.7 Å²	59.7	20%	0.204	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.1	9	-178.7	-31.3	-39	0	0	0	115.1	S409 L425 I427 P529 Y725	S409-Y727 WeakPolarHBondContact CB-OH 3.41Å; S409-Y727 VanDerWaalsContact O-CE1 3.31Å; S409-Y727 WeakPolarHBondContact O-CE1 3.31Å; S409-Y727 WeakPolarHBondContact OG-CE1 3.48Å; S409-Y727 PolarHBondContact OG-OH 2.91Å; L425-Y727 WeakPolarHBondContact O-CD1 3.38Å; I427-Y727 WeakPolarHBondContact CD1-OH 3.46Å; I427-Y727 HydrophobicContact CG1-CE1 4.08Å; I427-Y727 WeakPolarHBondContact CG1-OH 3.39Å; P529-Y727 HydrophobicContact CB-CE1 4.32Å; P529-Y727 HydrophobicContact CB-CE2 4.28Å; P529-Y727 WeakPolarHBondContact CB-OH 3.22Å; P529-Y727 VanDerWaalsContact CD-CE2 3.48Å; P529-Y727 HydrophobicContact CG-CD1 4.05Å; P529-Y727 HydrophobicContact CG-CD2 3.78Å; P529-Y727 HydrophobicContact CG-CE1 3.7Å; P529-Y727 HydrophobicContact CG-CE2 3.44Å; P529-Y727 VanDerWaalsContact CG-CE2 3.44Å; P529-Y727 HydrophobicContact CG-CG 4.03Å; Y725-Y727 PolarHBondContact O-N 3.19Å
728	S	59.9	Low	75.6	Confident	30 Å²	30	59.6 Å²	59.6	21%	0.21	33%	0.328	C	S	.	.			trans	-120.6	128.2	-174	68.3	0	0	0	0	113.7	Y725 N730	Y725-S728 WeakPolarHBondContact CD2-OG 3.5Å; Y725-S728 PolarHBondContact O-N 3.04Å; S728-N730 PolarHBondContact O-N 3.35Å
729	T	47.9	Very low	75.5	Confident	119 Å²	119	56.1 Å²	56.1	73%	0.73	31%	0.311	S	S	*	.	S	Bend	trans	-75.1	71.4	165	49.1	0	0	0	0	110.9	V731	T729-V731 PolarHBondContact O-N 3.5Å
730	N	52.7	Low	75.5	Confident	105 Å²	105	53.4 Å²	53.4	56%	0.561	28%	0.28	S	S	*	.	S	Bend	trans	54.6	10.2	167	-62.3	-7.9	0	0	0	119.3	S728 D732 I733	S728-N730 PolarHBondContact O-N 3.35Å; N730-D732 VanDerWaalsContact C-N 3.28Å; N730-D732 PolarHBondContact O-N 3.34Å; N730-D732 VanDerWaalsContact O-N 3.15Å; N730-I733 HydrophobicContact CB-CD1 4.34Å; N730-I733 HydrophobicContact CB-CG1 4.42Å; N730-I733 PolarHBondContact O-N 3.31Å
731	V	52.9	Low	75.4	Confident	106 Å²	106	53.4 Å²	53.4	64%	0.642	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-40.2	-173.9	-165.9	0	0	0	0	113.7	T729 I733 K739	T729-V731 PolarHBondContact O-N 3.5Å; V731-I733 VanDerWaalsContact C-N 3.28Å; V731-I733 PolarHBondContact O-N 3.33Å; V731-K739 PolarHBondContact O-NZ 3.33Å
732	D	61.1	Low	75.5	Confident	40 Å²	40	47.9 Å²	47.9	21%	0.214	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	10.9	-179.7	-47.8	-76.2	0	0	0	113.9	K528 Y725 N730 K739	K528-D732 IonicContact NZ-OD1 3.84Å; K528-D732 PolarHBondContact NZ-OD1 2.95Å; K528-D732 VanDerWaalsContact NZ-OD1 3.09Å; K528-D732 IonicContact NZ-OD2 3.09Å; K528-D732 PolarHBondContact NZ-OD2 3.1Å; Y725-D732 HydrophobicContact CE2-CB 3.92Å; Y725-D732 WeakPolarHBondContact CE2-OD2 3.43Å; N730-D732 VanDerWaalsContact C-N 3.28Å; N730-D732 PolarHBondContact O-N 3.34Å; N730-D732 VanDerWaalsContact O-N 3.15Å; D732-K739 WeakPolarHBondContact O-CB 3.5Å; D732-K739 WeakPolarHBondContact O-CG 3.37Å; D732-K739 PolarHBondContact O-N 2.85Å; D732-K739 VanDerWaalsContact O-N 3.1Å
733	I	62.1	Low	75.7	Confident	34 Å²	34	48 Å²	48	17%	0.174	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	140.3	-179.9	-39.8	-172.4	0	0	0	109.2	F722 N730 V731 W737 K739	F722-I733 HydrophobicContact CD1-CD1 3.7Å; F722-I733 HydrophobicContact CD1-CG1 3.72Å; F722-I733 HydrophobicContact CE1-CD1 4.12Å; F722-I733 HydrophobicContact CE1-CG1 3.98Å; F722-I733 HydrophobicContact CG-CD1 4.43Å; N730-I733 HydrophobicContact CB-CD1 4.34Å; N730-I733 HydrophobicContact CB-CG1 4.42Å; N730-I733 PolarHBondContact O-N 3.31Å; V731-I733 VanDerWaalsContact C-N 3.28Å; V731-I733 PolarHBondContact O-N 3.33Å; I733-W737 WeakPolarHBondContact CA-O 3.41Å; I733-K739 PolarHBondContact O-NZ 2.81Å
734	D	66.8	Low	76.1	Confident	82 Å²	82	46.1 Å²	46.1	44%	0.439	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	121.4	166.7	-176	17.2	0	0	0	108.8	W713 N736 W737 K739	W713-D734 HydrophobicContact CH2-CB 3.92Å; W713-D734 VanDerWaalsContact CH2-OD2 3.27Å; W713-D734 WeakPolarHBondContact CH2-OD2 3.11Å; W713-D734 HydrophobicContact CZ3-CB 3.65Å; W713-D734 VanDerWaalsContact CZ3-OD2 3.28Å; W713-D734 WeakPolarHBondContact CZ3-OD2 3.27Å; D734-N736 VanDerWaalsContact C-N 3.34Å; D734-N736 PolarHBondContact O-N 3.15Å; D734-W737 PolarHBondContact N-O 2.92Å; D734-W737 WeakPolarHBondContact O-CA 3.47Å; D734-W737 VanDerWaalsContact O-CB 3.24Å; D734-W737 WeakPolarHBondContact O-CB 3.26Å; D734-W737 VanDerWaalsContact O-CD1 3.31Å; D734-W737 PolarHBondContact O-N 2.86Å; D734-K739 VanDerWaalsContact CB-CE 3.47Å
735	D	74.6	Confident	76.5	Confident	141 Å²	141	47.1 Å²	47.1	75%	0.754	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	33.5	59.2	-171.4	-160.6	29.1	0	0	0	114.9	W737	D735-W737 PolarHBondContact O-N 2.79Å; D735-W737 VanDerWaalsContact O-N 3.14Å
736	N	82.7	Confident	77.1	Confident	50 Å²	50	48.1 Å²	48.1	27%	0.267	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.6	-6.6	-175.4	-160.5	28.7	0	0	0	117.3	P716 S720 K721 F722 D734	P716-N736 WeakPolarHBondContact CD-O 3.47Å; S720-N736 PolarHBondContact O-ND2 2.83Å; S720-N736 VanDerWaalsContact O-ND2 3.08Å; K721-N736 WeakPolarHBondContact CA-OD1 3.28Å; K721-N736 WeakPolarHBondContact CB-OD1 3.47Å; F722-N736 PolarHBondContact N-OD1 2.97Å; D734-N736 VanDerWaalsContact C-N 3.34Å; D734-N736 PolarHBondContact O-N 3.15Å
737	W	90.3	Very high	77.8	Confident	51 Å²	51	49.5 Å²	49.5	19%	0.193	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	133.1	175.4	-62.7	84.8	0	0	0	112.1	A693 K695 W713 S715 I733 D734 D735	A693-W737 HydrophobicContact CB-CH2 3.85Å; A693-W737 HydrophobicContact CB-CZ3 4.31Å; K695-W737 HydrophobicContact CB-CH2 4.31Å; K695-W737 HydrophobicContact CB-CZ3 4.21Å; K695-W737 HydrophobicContact CD-CD2 4.15Å; K695-W737 HydrophobicContact CD-CE3 4.15Å; K695-W737 HydrophobicContact CD-CH2 4.14Å; K695-W737 HydrophobicContact CD-CZ2 4.12Å; K695-W737 HydrophobicContact CD-CZ3 4.16Å; K695-W737 HydrophobicContact CG-CD2 4.37Å; K695-W737 HydrophobicContact CG-CE3 3.86Å; K695-W737 HydrophobicContact CG-CH2 4.03Å; K695-W737 HydrophobicContact CG-CZ3 3.69Å; W713-W737 HydrophobicContact CB-CB 4.3Å; W713-W737 HydrophobicContact CB-CE3 4.04Å; W713-W737 HydrophobicContact CD2-CB 4.44Å; W713-W737 HydrophobicContact CE3-CB 3.69Å; W713-W737 HydrophobicContact CE3-CG 4.11Å; W713-W737 HydrophobicContact CZ3-CB 4.49Å; S715-W737 VanDerWaalsContact N-CE3 3.27Å; I733-W737 WeakPolarHBondContact CA-O 3.41Å; D734-W737 PolarHBondContact N-O 2.92Å; D734-W737 WeakPolarHBondContact O-CA 3.47Å; D734-W737 VanDerWaalsContact O-CB 3.24Å; D734-W737 WeakPolarHBondContact O-CB 3.26Å; D734-W737 VanDerWaalsContact O-CD1 3.31Å; D734-W737 PolarHBondContact O-N 2.86Å; D735-W737 PolarHBondContact O-N 2.79Å; D735-W737 VanDerWaalsContact O-N 3.14Å
738	I	91.2	Very high	79.2	Confident	1 Å²	1	53.5 Å²	53.5	1%	0.005	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	117.7	170.2	-55.3	162.3	0	0	0	108.4	L662 E664 A665 W713 I714 P716 F722 T740	L662-I738 HydrophobicContact CD2-CG2 4.31Å; E664-I738 HydrophobicContact CB-CD1 4.14Å; E664-I738 HydrophobicContact CB-CG2 3.74Å; E664-I738 HydrophobicContact CG-CG2 4.27Å; E664-I738 WeakPolarHBondContact O-CD1 3.41Å; A665-I738 HydrophobicContact CB-CD1 4.21Å; W713-I738 WeakPolarHBondContact CA-O 3.43Å; I714-I738 HydrophobicContact CB-CB 4.46Å; I714-I738 HydrophobicContact CG2-CD1 4.43Å; I714-I738 PolarHBondContact N-O 3.36Å; I714-I738 WeakPolarHBondContact O-CB 3.48Å; I714-I738 WeakPolarHBondContact O-CG1 3.42Å; I714-I738 PolarHBondContact O-N 3.2Å; P716-I738 HydrophobicContact CG-CD1 4.16Å; P716-I738 HydrophobicContact CG-CG1 4.41Å; F722-I738 HydrophobicContact CB-CD1 4.48Å; F722-I738 HydrophobicContact CB-CG1 3.89Å; F722-I738 HydrophobicContact CD1-CB 4.5Å; F722-I738 HydrophobicContact CD1-CG1 3.76Å; F722-I738 HydrophobicContact CD2-CG1 4.38Å; F722-I738 HydrophobicContact CE1-CG1 4.41Å; F722-I738 HydrophobicContact CE1-CG2 4.47Å; F722-I738 HydrophobicContact CG-CD1 4.4Å; F722-I738 HydrophobicContact CG-CG1 3.76Å; I738-T740 PolarHBondContact O-N 3.36Å
739	K	91	Very high	80.5	Confident	51 Å²	51	58.3 Å²	58.3	22%	0.222	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	109.3	170.3	-56.8	176.7	-167.3	158.6	0	108.8	W713 V731 D732 I733 D734	W713-K739 HydrophobicContact CD2-CG 4.08Å; W713-K739 HydrophobicContact CG-CG 4.45Å; W713-K739 HydrophobicContact CZ2-CD 4.03Å; W713-K739 HydrophobicContact CZ2-CG 4.05Å; V731-K739 PolarHBondContact O-NZ 3.33Å; D732-K739 WeakPolarHBondContact O-CB 3.5Å; D732-K739 WeakPolarHBondContact O-CG 3.37Å; D732-K739 PolarHBondContact O-N 2.85Å; D732-K739 VanDerWaalsContact O-N 3.1Å; I733-K739 PolarHBondContact O-NZ 2.81Å; D734-K739 VanDerWaalsContact CB-CE 3.47Å
740	T	89.9	Confident	82.5	Confident	17 Å²	17	54.1 Å²	54.1	10%	0.104	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	-20.2	-172.9	66.2	0	0	0	0	113.4	M660 L662 L712 I714 I738 D742 K757	M660-T740 HydrophobicContact CE-CG2 4.4Å; L662-T740 HydrophobicContact CD2-CG2 3.92Å; L712-T740 HydrophobicContact CG-CG2 4.46Å; L712-T740 WeakPolarHBondContact O-CB 3.45Å; L712-T740 VanDerWaalsContact O-CG2 3.32Å; L712-T740 WeakPolarHBondContact O-CG2 3.44Å; L712-T740 PolarHBondContact O-N 2.78Å; L712-T740 PolarHBondContact O-OG1 2.8Å; I714-T740 HydrophobicContact CB-CG2 4.45Å; I714-T740 HydrophobicContact CG1-CG2 3.73Å; I738-T740 PolarHBondContact O-N 3.36Å; T740-D742 PolarHBondContact O-N 3.42Å; T740-D742 WeakPolarHBondContact OG1-CB 3.22Å; T740-D742 PolarHBondContact OG1-N 2.96Å; T740-K757 PolarHBondContact O-NZ 2.94Å; T740-K757 VanDerWaalsContact O-NZ 3.12Å
741	G	88.8	Confident	84.4	Confident	22 Å²	22	50 Å²	50	23%	0.227	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	65.6	1.8	-165.6	0	0	0	0	0	114.2	E711 K757 V758	E711-G741 WeakPolarHBondContact OE1-CA 3.28Å; E711-G741 PolarHBondContact OE1-N 3.21Å; G741-K757 CarbonylContact O-C 3.57Å; G741-K757 VanDerWaalsContact O-CA 3.26Å; G741-K757 WeakPolarHBondContact O-CA 3.39Å; G741-K757 WeakPolarHBondContact O-CD 3.31Å; G741-V758 PolarHBondContact O-N 3.29Å
742	D	90.7	Very high	86.4	Confident	19 Å²	19	45.2 Å²	45.2	10%	0.102	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	143.5	168.8	-66.5	-69.4	0	0	0	110.3	M660 E711 L712 T740 L754 G756 K757	M660-D742 HydrophobicContact CE-CB 4.13Å; M660-D742 WeakPolarHBondContact CE-OD2 3.42Å; E711-D742 WeakPolarHBondContact CA-O 3.13Å; E711-D742 WeakPolarHBondContact CG-O 3.3Å; L712-D742 HydrophobicContact CB-CB 4.46Å; L712-D742 PolarHBondContact N-O 3.34Å; T740-D742 PolarHBondContact O-N 3.42Å; T740-D742 WeakPolarHBondContact OG1-CB 3.22Å; T740-D742 PolarHBondContact OG1-N 2.96Å; D742-L754 HydrophobicContact CB-CD2 4.33Å; D742-G756 WeakPolarHBondContact CA-O 3.46Å; D742-K757 VanDerWaalsContact OD1-CD 3.26Å; D742-K757 WeakPolarHBondContact OD1-CD 3.4Å; D742-K757 WeakPolarHBondContact OD1-CE 3.41Å; D742-K757 IonicContact OD1-NZ 2.89Å; D742-K757 PolarHBondContact OD1-NZ 3.25Å; D742-K757 IonicContact OD2-NZ 2.66Å; D742-K757 PolarHBondContact OD2-NZ 3.23Å
743	L	92.9	Very high	87.9	Confident	12 Å²	12	44.8 Å²	44.8	6%	0.063	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	138.6	166.4	-65.3	166.5	0	0	0	108.5	I709 G710 V755 G756 V758 V761 Y770	I709-L743 HydrophobicContact CG2-CB 4.35Å; I709-L743 HydrophobicContact CG2-CD2 4.43Å; G710-L743 CarbonylContact O-C 3.6Å; G710-L743 VanDerWaalsContact O-CA 3.25Å; G710-L743 WeakPolarHBondContact O-CA 3.35Å; G710-L743 WeakPolarHBondContact O-CD2 3.28Å; L743-V755 HydrophobicContact CB-CG2 3.82Å; L743-V755 WeakPolarHBondContact O-CG2 3.13Å; L743-V755 PolarHBondContact O-N 3.38Å; L743-G756 PolarHBondContact N-O 3.23Å; L743-V758 HydrophobicContact CD2-CG2 3.71Å; L743-V758 HydrophobicContact CG-CG2 4.02Å; L743-V761 HydrophobicContact CD1-CG2 3.5Å; L743-V761 VanDerWaalsContact CD1-CG2 3.5Å; L743-Y770 HydrophobicContact CD1-CD1 3.66Å; L743-Y770 HydrophobicContact CD1-CE1 3.75Å
744	A	95.1	Very high	89.2	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	166.5	175.9	0	0	0	0	0	111.7	V696 G710 L712 I752 S753 L754	V696-A744 WeakPolarHBondContact CG1-O 3.45Å; V696-A744 HydrophobicContact CG2-CB 3.75Å; G710-A744 PolarHBondContact N-O 3.04Å; G710-A744 VanDerWaalsContact N-O 3.13Å; G710-A744 PolarHBondContact O-N 2.89Å; L712-A744 HydrophobicContact CB-CB 3.84Å; L712-A744 HydrophobicContact CD1-CB 4.36Å; L712-A744 HydrophobicContact CD2-CB 4.25Å; L712-A744 HydrophobicContact CG-CB 4.38Å; A744-I752 HydrophobicContact CB-CG2 3.88Å; A744-S753 CarbonylContact C-O 3.58Å; A744-S753 VanDerWaalsContact CA-O 3.23Å; A744-S753 WeakPolarHBondContact CA-O 3.33Å; A744-L754 HydrophobicContact CB-CD2 4.1Å
745	V	94.5	Very high	90.2	Very high	23 Å²	23	43.1 Å²	43.1	14%	0.139	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	144.6	165	179.3	0	0	0	0	107	D707 I709 I752 S753 V755	D707-V745 VanDerWaalsContact CA-CG1 3.46Å; I709-V745 HydrophobicContact CB-CG2 4.36Å; I709-V745 HydrophobicContact CG1-CG2 3.58Å; V745-I752 WeakPolarHBondContact O-CA 3.47Å; V745-S753 PolarHBondContact N-O 2.97Å; V745-S753 PolarHBondContact O-N 3.47Å; V745-V755 HydrophobicContact CG2-CG1 4.21Å; V745-V755 HydrophobicContact CG2-CG2 4.08Å
746	V	94.7	Very high	90.7	Very high	36 Å²	36	38 Å²	38	22%	0.218	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	130.6	170.3	-165.5	0	0	0	0	107.9	V696 A706 D707 L751 I752	V696-V746 HydrophobicContact CB-CG2 3.97Å; V696-V746 HydrophobicContact CG2-CG2 3.44Å; V696-V746 VanDerWaalsContact CG2-CG2 3.44Å; A706-V746 CarbonylContact C-O 3.32Å; A706-V746 VanDerWaalsContact CA-O 3.31Å; A706-V746 WeakPolarHBondContact CA-O 3.28Å; D707-V746 PolarHBondContact N-O 3.28Å; V746-L751 WeakPolarHBondContact CA-O 3.36Å; V746-I752 HydrophobicContact CG1-CG1 4.41Å; V746-I752 HydrophobicContact CG2-CG1 4.31Å
747	D	92	Very high	90.8	Very high	49 Å²	49	39.1 Å²	39.1	26%	0.262	23%	0.225	S	C	.	.			trans	-83.5	-179.8	173.6	73.7	10.4	0	0	0	112.3	D749 G750 L751	D747-D749 PolarHBondContact O-N 2.76Å; D747-D749 WeakPolarHBondContact OD1-CA 3.43Å; D747-D749 PolarHBondContact OD1-N 2.95Å; D747-G750 PolarHBondContact O-N 3.05Å; D747-G750 VanDerWaalsContact O-N 3.08Å; D747-G750 PolarHBondContact OD1-N 2.97Å; D747-L751 PolarHBondContact N-O 2.7Å; D747-L751 VanDerWaalsContact N-O 3.11Å; D747-L751 WeakPolarHBondContact OD1-CB 3.28Å; D747-L751 PolarHBondContact OD1-N 2.74Å; D747-L751 WeakPolarHBondContact OD2-CB 3.43Å
748	N	91.2	Very high	90.6	Very high	135 Å²	135	39.3 Å²	39.3	72%	0.722	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-16.8	-178.6	-63.5	-85.5	0	0	0	113.8	A706 D707	A706-N748 WeakPolarHBondContact CB-OD1 3.48Å; D707-N748 PolarHBondContact OD2-ND2 3.3Å; D707-N748 VanDerWaalsContact OD2-ND2 3.14Å
749	D	88.1	Confident	90.1	Very high	131 Å²	131	45.9 Å²	45.9	70%	0.701	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-0.3	174.1	-74.9	-52.3	0	0	0	112.3	K687 D747	K687-D749 WeakPolarHBondContact CE-O 3.41Å; K687-D749 PolarHBondContact NZ-O 3.16Å; D747-D749 PolarHBondContact O-N 2.76Å; D747-D749 WeakPolarHBondContact OD1-CA 3.43Å; D747-D749 PolarHBondContact OD1-N 2.95Å
750	G	89.8	Confident	89.7	Confident	32 Å²	32	45.3 Å²	45.3	33%	0.33	26%	0.26	S	S	.	.			trans	82.1	15.4	-178.3	0	0	0	0	0	114.5	K687 D747	K687-G750 WeakPolarHBondContact CG-O 3.14Å; D747-G750 PolarHBondContact O-N 3.05Å; D747-G750 VanDerWaalsContact O-N 3.08Å; D747-G750 PolarHBondContact OD1-N 2.97Å
751	L	92.4	Very high	89.5	Confident	19 Å²	19	45.2 Å²	45.2	10%	0.099	26%	0.259	C	S	.	.			trans	-80.1	127	177.9	-174.4	56.2	0	0	0	110.8	E676 A684 K687 V746 D747	E676-L751 VanDerWaalsContact OE1-CD1 3.3Å; E676-L751 WeakPolarHBondContact OE1-CD1 3.22Å; A684-L751 HydrophobicContact CB-CD1 3.58Å; A684-L751 HydrophobicContact CB-CD2 3.74Å; A684-L751 HydrophobicContact CB-CG 3.49Å; A684-L751 VanDerWaalsContact CB-CG 3.49Å; K687-L751 HydrophobicContact CG-CD1 4.17Å; V746-L751 WeakPolarHBondContact CA-O 3.36Å; D747-L751 PolarHBondContact N-O 2.7Å; D747-L751 VanDerWaalsContact N-O 3.11Å; D747-L751 WeakPolarHBondContact OD1-CB 3.28Å; D747-L751 PolarHBondContact OD1-N 2.74Å; D747-L751 WeakPolarHBondContact OD2-CB 3.43Å
752	I	94.6	Very high	89.4	Confident	5 Å²	5	44.2 Å²	44.2	3%	0.026	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	125.4	-171.8	-52.5	173.2	0	0	0	109.6	I670 A684 V685 G686 A694 L712 A744 V745 V746	I670-I752 HydrophobicContact CD1-CB 4.43Å; I670-I752 HydrophobicContact CD1-CD1 3.59Å; I670-I752 HydrophobicContact CD1-CG2 4.15Å; I670-I752 HydrophobicContact CG1-CD1 4.03Å; I670-I752 HydrophobicContact CG2-CD1 4.29Å; A684-I752 WeakPolarHBondContact CA-O 3.46Å; A684-I752 WeakPolarHBondContact CB-O 3.49Å; V685-I752 HydrophobicContact CG2-CB 4.26Å; V685-I752 HydrophobicContact CG2-CG2 4.2Å; V685-I752 WeakPolarHBondContact CG2-O 3.49Å; V685-I752 PolarHBondContact N-O 3.04Å; G686-I752 WeakPolarHBondContact O-CB 3.25Å; G686-I752 PolarHBondContact O-N 3.35Å; A694-I752 HydrophobicContact CB-CD1 3.72Å; L712-I752 HydrophobicContact CD1-CG2 4.29Å; L712-I752 HydrophobicContact CD2-CG2 4.44Å; A744-I752 HydrophobicContact CB-CG2 3.88Å; V745-I752 WeakPolarHBondContact O-CA 3.47Å; V746-I752 HydrophobicContact CG1-CG1 4.41Å; V746-I752 HydrophobicContact CG2-CG1 4.31Å
753	S	92.1	Very high	89.4	Confident	31 Å²	31	46.9 Å²	46.9	22%	0.217	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	126.3	176.6	-61.8	0	0	0	0	110.6	S683 A744 V745	S683-S753 WeakPolarHBondContact O-CB 3.42Å; S683-S753 PolarHBondContact O-OG 3.27Å; A744-S753 CarbonylContact C-O 3.58Å; A744-S753 VanDerWaalsContact CA-O 3.23Å; A744-S753 WeakPolarHBondContact CA-O 3.33Å; V745-S753 PolarHBondContact N-O 2.97Å; V745-S753 PolarHBondContact O-N 3.47Å
754	L	89.2	Confident	89.2	Confident	64 Å²	64	48.4 Å²	48.4	34%	0.335	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	133.1	-179.8	-62.6	-175.5	0	0	0	111.6	V685 L712 D742 A744	V685-L754 HydrophobicContact CG1-CD1 3.86Å; V685-L754 HydrophobicContact CG1-CG 3.89Å; V685-L754 HydrophobicContact CG2-CD1 4.44Å; V685-L754 HydrophobicContact CG2-CD2 4.27Å; V685-L754 HydrophobicContact CG2-CG 3.88Å; L712-L754 HydrophobicContact CD2-CD2 3.76Å; D742-L754 HydrophobicContact CB-CD2 4.33Å; A744-L754 HydrophobicContact CB-CD2 4.1Å
755	V	87.6	Confident	88.8	Confident	17 Å²	17	56.1 Å²	56.1	10%	0.103	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	31.8	-174.8	-74.1	0	0	0	0	112.3	I709 L743 V745 H772	I709-V755 HydrophobicContact CG1-CG2 4.29Å; I709-V755 HydrophobicContact CG2-CG2 3.88Å; L743-V755 HydrophobicContact CB-CG2 3.82Å; L743-V755 WeakPolarHBondContact O-CG2 3.13Å; L743-V755 PolarHBondContact O-N 3.38Å; V745-V755 HydrophobicContact CG2-CG1 4.21Å; V745-V755 HydrophobicContact CG2-CG2 4.08Å; V755-H772 VanDerWaalsContact CB-CE1 3.4Å; V755-H772 WeakPolarHBondContact CB-CE1 3.33Å; V755-H772 PolarHBondContact O-CE1 2.96Å; V755-H772 PolarHBondContact O-ND1 3.22Å
756	G	85	Confident	88.2	Confident	32 Å²	32	57.8 Å²	57.8	33%	0.33	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	104.9	-150.3	171.7	0	0	0	0	0	113.9	D742 L743	D742-G756 WeakPolarHBondContact CA-O 3.46Å; L743-G756 PolarHBondContact N-O 3.23Å
757	K	85.4	Confident	87.8	Confident	74 Å²	74	59.5 Å²	59.5	32%	0.322	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	142	-177.2	-76.8	-68.5	-169.8	-170.4	0	111.1	T740 G741 D742 K759 D760	T740-K757 PolarHBondContact O-NZ 2.94Å; T740-K757 VanDerWaalsContact O-NZ 3.12Å; G741-K757 CarbonylContact O-C 3.57Å; G741-K757 VanDerWaalsContact O-CA 3.26Å; G741-K757 WeakPolarHBondContact O-CA 3.39Å; G741-K757 WeakPolarHBondContact O-CD 3.31Å; D742-K757 VanDerWaalsContact OD1-CD 3.26Å; D742-K757 WeakPolarHBondContact OD1-CD 3.4Å; D742-K757 WeakPolarHBondContact OD1-CE 3.41Å; D742-K757 IonicContact OD1-NZ 2.89Å; D742-K757 PolarHBondContact OD1-NZ 3.25Å; D742-K757 IonicContact OD2-NZ 2.66Å; D742-K757 PolarHBondContact OD2-NZ 3.23Å; K757-K759 HydrophobicContact CB-CG 4.04Å; K757-K759 PolarHBondContact O-N 2.92Å; K757-D760 WeakPolarHBondContact CB-OD2 3.2Å; K757-D760 PolarHBondContact O-N 2.91Å
758	V	85.9	Confident	87.7	Confident	56 Å²	56	60 Å²	60	34%	0.339	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-53.8	-40.8	177.4	176.8	0	0	0	0	111.6	E711 G741 L743 D760 V761	E711-V758 HydrophobicContact CB-CG2 3.96Å; E711-V758 HydrophobicContact CG-CG2 3.65Å; G741-V758 PolarHBondContact O-N 3.29Å; L743-V758 HydrophobicContact CD2-CG2 3.71Å; L743-V758 HydrophobicContact CG-CG2 4.02Å; V758-D760 VanDerWaalsContact C-N 3.26Å; V758-D760 PolarHBondContact O-N 3.21Å; V758-V761 WeakPolarHBondContact O-CG2 3.48Å; V758-V761 PolarHBondContact O-N 3.4Å
759	K	81.9	Confident	87.6	Confident	138 Å²	138	54 Å²	54	60%	0.6	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-71	-12.2	-178.9	65.4	157.6	-169.9	82.8	0	115.5	K757	K757-K759 HydrophobicContact CB-CG 4.04Å; K757-K759 PolarHBondContact O-N 2.92Å
760	D	82.9	Confident	87.7	Confident	40 Å²	40	50.1 Å²	50.1	21%	0.214	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-108.9	8.2	-178.8	-59.7	-66.1	0	0	0	111.4	K757 V758 P771 S854	K757-D760 WeakPolarHBondContact CB-OD2 3.2Å; K757-D760 PolarHBondContact O-N 2.91Å; V758-D760 VanDerWaalsContact C-N 3.26Å; V758-D760 PolarHBondContact O-N 3.21Å; D760-P771 WeakPolarHBondContact O-CD 3.2Å; D760-P771 WeakPolarHBondContact O-CG 3.47Å; D760-S854 PolarHBondContact OD1-OG 3.03Å
761	V	84.7	Confident	87.6	Confident	14 Å²	14	49.3 Å²	49.3	9%	0.085	27%	0.266	C	S	.	.			trans	-70.7	132.8	171.7	-178	0	0	0	0	110.5	L743 V758 Y763 P768 Y770	L743-V761 HydrophobicContact CD1-CG2 3.5Å; L743-V761 VanDerWaalsContact CD1-CG2 3.5Å; V758-V761 WeakPolarHBondContact O-CG2 3.48Å; V758-V761 PolarHBondContact O-N 3.4Å; V761-Y763 HydrophobicContact CB-CE2 4Å; V761-Y763 HydrophobicContact CG1-CD2 4.39Å; V761-Y763 HydrophobicContact CG1-CE1 4.17Å; V761-Y763 HydrophobicContact CG1-CE2 3.76Å; V761-P768 HydrophobicContact CG1-CB 3.82Å; V761-Y770 HydrophobicContact CG1-CD1 4.42Å; V761-Y770 HydrophobicContact CG1-CE1 4.32Å; V761-Y770 HydrophobicContact CG2-CD1 3.91Å; V761-Y770 HydrophobicContact CG2-CE1 3.95Å
762	I	87.7	Confident	87.2	Confident	2 Å²	2	50 Å²	50	1%	0.01	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	133.6	179.1	-48.8	168.4	0	0	0	109	P768 V769 P771 E799 V801	I762-P768 CarbonylContact O-C 3.58Å; I762-V769 HydrophobicContact CB-CB 4.19Å; I762-V769 HydrophobicContact CD1-CG1 4.48Å; I762-V769 PolarHBondContact N-O 2.68Å; I762-V769 PolarHBondContact O-N 2.64Å; I762-P771 HydrophobicContact CD1-CG 4.11Å; I762-P771 HydrophobicContact CG1-CG 4.24Å; I762-E799 WeakPolarHBondContact CA-OE2 3.31Å; I762-E799 HydrophobicContact CG2-CB 3.67Å; I762-V801 HydrophobicContact CD1-CG2 4.18Å; I762-V801 HydrophobicContact CG2-CG2 4.05Å
763	Y	88.8	Confident	86.8	Confident	74 Å²	74	52.8 Å²	52.8	29%	0.29	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	63.8	-177.4	-73.3	-78.6	0	0	0	113.7	K699 V761 R765 G766 S767 P768 E799	K699-Y763 VanDerWaalsContact CE-OH 3.27Å; K699-Y763 WeakPolarHBondContact CE-OH 3.41Å; K699-Y763 VanDerWaalsContact NZ-CZ 3.33Å; K699-Y763 PolarHBondContact NZ-OH 2.96Å; V761-Y763 HydrophobicContact CB-CE2 4Å; V761-Y763 HydrophobicContact CG1-CD2 4.39Å; V761-Y763 HydrophobicContact CG1-CE1 4.17Å; V761-Y763 HydrophobicContact CG1-CE2 3.76Å; Y763-R765 PolarHBondContact O-N 3.33Å; Y763-R765 VanDerWaalsContact O-N 3.14Å; Y763-G766 PolarHBondContact O-N 3.34Å; Y763-S767 CarbonylContact C-O 3.59Å; Y763-P768 HydrophobicContact CE1-CB 4.02Å; Y763-E799 PolarHBondContact N-OE2 3.21Å
764	R	89.6	Confident	86.8	Confident	45 Å²	45	51.3 Å²	51.3	17%	0.17	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	109	179.7	-171.5	179.4	-174.6	-79	3.5	111.6	G766 S767 V769 N797 E799 V801 D835	R764-G766 PolarHBondContact O-N 2.97Å; R764-S767 PolarHBondContact N-O 3.21Å; R764-S767 VanDerWaalsContact N-O 3.12Å; R764-S767 WeakPolarHBondContact O-CB 3.46Å; R764-S767 PolarHBondContact O-N 3.05Å; R764-S767 VanDerWaalsContact O-N 3.16Å; R764-V769 HydrophobicContact CB-CG2 4.16Å; R764-N797 HydrophobicContact CG-CB 4.29Å; R764-E799 VanDerWaalsContact CA-O 3.29Å; R764-E799 WeakPolarHBondContact CA-O 3.49Å; R764-E799 WeakPolarHBondContact CB-O 3.14Å; R764-E799 WeakPolarHBondContact CG-O 3.41Å; R764-V801 HydrophobicContact CB-CG2 4.29Å; R764-D835 WeakPolarHBondContact CD-OD2 3.5Å; R764-D835 IonicContact CZ-OD1 3.66Å; R764-D835 IonicContact CZ-OD2 2.66Å; R764-D835 IonicContact NE-OD1 2.99Å; R764-D835 PolarHBondContact NE-OD1 2.88Å; R764-D835 VanDerWaalsContact NE-OD1 3.17Å; R764-D835 IonicContact NE-OD2 3.48Å; R764-D835 PolarHBondContact NE-OD2 2.82Å; R764-D835 IonicContact NH2-OD1 3.08Å; R764-D835 PolarHBondContact NH2-OD1 3.07Å; R764-D835 IonicContact NH2-OD2 3.84Å
765	R	87.5	Confident	86.9	Confident	161 Å²	161	50.5 Å²	50.5	61%	0.608	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	35.6	-173.2	-59	-177	-176.4	-166.3	-4	112.7	Y763 S767 N797	Y763-R765 PolarHBondContact O-N 3.33Å; Y763-R765 VanDerWaalsContact O-N 3.14Å; R765-S767 PolarHBondContact O-N 2.74Å; R765-N797 WeakPolarHBondContact CA-O 3.24Å; R765-N797 HydrophobicContact CG-CB 4.39Å; R765-N797 VanDerWaalsContact CZ-OD1 3.3Å; R765-N797 PolarHBondContact N-O 3.17Å; R765-N797 PolarHBondContact NE-OD1 2.75Å; R765-N797 PolarHBondContact NH2-OD1 3.26Å
766	G	81.2	Confident	86.8	Confident	58 Å²	58	57.6 Å²	57.6	60%	0.598	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.1	-16.7	-176.3	0	0	0	0	0	114.8	Y763 R764	Y763-G766 PolarHBondContact O-N 3.34Å; R764-G766 PolarHBondContact O-N 2.97Å
767	S	86.5	Confident	87.1	Confident	73 Å²	73	59.4 Å²	59.4	51%	0.51	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	133.8	173.2	-63	0	0	0	0	110.9	Y763 R764 R765	Y763-S767 CarbonylContact C-O 3.59Å; R764-S767 PolarHBondContact N-O 3.21Å; R764-S767 VanDerWaalsContact N-O 3.12Å; R764-S767 WeakPolarHBondContact O-CB 3.46Å; R764-S767 PolarHBondContact O-N 3.05Å; R764-S767 VanDerWaalsContact O-N 3.16Å; R765-S767 PolarHBondContact O-N 2.74Å
768	P	89.3	Confident	87.5	Confident	59 Å²	59	55.9 Å²	55.9	38%	0.383	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	133.1	176.1	29.6	-33.7	0	0	0	111.1	V761 I762 Y763 Y770	V761-P768 HydrophobicContact CG1-CB 3.82Å; I762-P768 CarbonylContact O-C 3.58Å; Y763-P768 HydrophobicContact CE1-CB 4.02Å; P768-Y770 HydrophobicContact CB-CE2 4.24Å; P768-Y770 HydrophobicContact CG-CE2 4.42Å
769	V	89.4	Confident	87.7	Confident	8 Å²	8	56.3 Å²	56.3	5%	0.048	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	123.3	170.4	173.8	0	0	0	0	107.9	I762 R764 L774 V801 P832	I762-V769 HydrophobicContact CB-CB 4.19Å; I762-V769 HydrophobicContact CD1-CG1 4.48Å; I762-V769 PolarHBondContact N-O 2.68Å; I762-V769 PolarHBondContact O-N 2.64Å; R764-V769 HydrophobicContact CB-CG2 4.16Å; V769-L774 HydrophobicContact CG1-CD1 4.21Å; V769-V801 HydrophobicContact CB-CG2 4.23Å; V769-V801 HydrophobicContact CG1-CG2 3.88Å; V769-V801 HydrophobicContact CG2-CG2 4.31Å; V769-P832 HydrophobicContact CB-CB 4.3Å; V769-P832 HydrophobicContact CG1-CB 3.73Å; V769-P832 HydrophobicContact CG1-CG 3.98Å; V769-P832 HydrophobicContact CG2-CB 3.66Å; V769-P832 HydrophobicContact CG2-CG 4.11Å
770	Y	89.4	Confident	88.1	Confident	50 Å²	50	54.5 Å²	54.5	20%	0.196	28%	0.283	C	S	.	.			trans	-97	114.5	-176.5	-54.8	-81.5	0	0	0	109.8	I709 L743 V761 P768 H772 M773	I709-Y770 HydrophobicContact CD1-CD2 3.84Å; I709-Y770 HydrophobicContact CD1-CE2 3.72Å; I709-Y770 HydrophobicContact CD1-CG 4.38Å; I709-Y770 HydrophobicContact CG2-CD1 4.36Å; I709-Y770 HydrophobicContact CG2-CE1 3.71Å; I709-Y770 HydrophobicContact CG2-CE2 4.41Å; L743-Y770 HydrophobicContact CD1-CD1 3.66Å; L743-Y770 HydrophobicContact CD1-CE1 3.75Å; V761-Y770 HydrophobicContact CG1-CD1 4.42Å; V761-Y770 HydrophobicContact CG1-CE1 4.32Å; V761-Y770 HydrophobicContact CG2-CD1 3.91Å; V761-Y770 HydrophobicContact CG2-CE1 3.95Å; P768-Y770 HydrophobicContact CB-CE2 4.24Å; P768-Y770 HydrophobicContact CG-CE2 4.42Å; Y770-H772 VanDerWaalsContact C-N 3.26Å; Y770-H772 PolarHBondContact O-N 2.89Å; Y770-H772 VanDerWaalsContact O-N 3.15Å; Y770-M773 WeakPolarHBondContact O-CB 3.45Å; Y770-M773 PolarHBondContact O-N 2.96Å; Y770-M773 VanDerWaalsContact O-N 3.09Å
771	P	88.6	Confident	88.6	Confident	16 Å²	16	54 Å²	54	10%	0.104	28%	0.28	C	S	.	.	H	α-helix	trans	-51.2	-41.6	-175.2	-33	37.2	0	0	0	114.8	D760 I762 M773 L774 E775 A789	D760-P771 WeakPolarHBondContact O-CD 3.2Å; D760-P771 WeakPolarHBondContact O-CG 3.47Å; I762-P771 HydrophobicContact CD1-CG 4.11Å; I762-P771 HydrophobicContact CG1-CG 4.24Å; P771-M773 PolarHBondContact O-N 3.25Å; P771-M773 VanDerWaalsContact O-N 3.09Å; P771-L774 PolarHBondContact O-N 3.02Å; P771-E775 WeakPolarHBondContact O-CG 3.32Å; P771-E775 PolarHBondContact O-N 3.29Å; P771-A789 HydrophobicContact CB-CB 3.95Å; P771-A789 WeakPolarHBondContact CB-O 3.33Å
772	H	83.3	Confident	88.9	Confident	32 Å²	32	58.1 Å²	58.1	15%	0.148	31%	0.307	C	S	.	.	H	α-helix	trans	-57.6	-28.9	-176.7	84.7	-83	0	0	0	112.8	V755 Y770 R776	V755-H772 VanDerWaalsContact CB-CE1 3.4Å; V755-H772 WeakPolarHBondContact CB-CE1 3.33Å; V755-H772 PolarHBondContact O-CE1 2.96Å; V755-H772 PolarHBondContact O-ND1 3.22Å; Y770-H772 VanDerWaalsContact C-N 3.26Å; Y770-H772 PolarHBondContact O-N 2.89Å; Y770-H772 VanDerWaalsContact O-N 3.15Å; H772-R776 WeakPolarHBondContact O-CB 2.84Å; H772-R776 PolarHBondContact O-N 2.91Å
773	M	86.8	Confident	89.3	Confident	64 Å²	64	59.2 Å²	59.2	32%	0.315	31%	0.311	S	S	.	.	H	α-helix	trans	-64.3	-47.7	177	-72.8	-64.6	-74.4	0	0	110.3	Y770 P771 F777 L831	Y770-M773 WeakPolarHBondContact O-CB 3.45Å; Y770-M773 PolarHBondContact O-N 2.96Å; Y770-M773 VanDerWaalsContact O-N 3.09Å; P771-M773 PolarHBondContact O-N 3.25Å; P771-M773 VanDerWaalsContact O-N 3.09Å; M773-F777 WeakPolarHBondContact O-CD2 3.43Å; M773-L831 HydrophobicContact CE-CD2 4.21Å
774	L	92	Very high	89.5	Confident	0 Å²	0	56 Å²	56	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-67	-47.6	178.8	-61	168.2	0	0	0	110.3	V769 P771 R776 F777 I778 A789 V801 V803 L831 V834	V769-L774 HydrophobicContact CG1-CD1 4.21Å; P771-L774 PolarHBondContact O-N 3.02Å; L774-R776 VanDerWaalsContact C-N 3.33Å; L774-R776 PolarHBondContact O-N 3.06Å; L774-F777 PolarHBondContact O-N 2.64Å; L774-I778 HydrophobicContact CB-CD1 4.35Å; L774-I778 WeakPolarHBondContact O-CB 3.17Å; L774-I778 WeakPolarHBondContact O-CD1 3.48Å; L774-I778 VanDerWaalsContact O-CG1 3.23Å; L774-I778 WeakPolarHBondContact O-CG1 3.46Å; L774-I778 PolarHBondContact O-N 3.04Å; L774-A789 HydrophobicContact CB-CB 4.26Å; L774-A789 HydrophobicContact CD1-CB 4.05Å; L774-V801 HydrophobicContact CD1-CG1 3.53Å; L774-V803 HydrophobicContact CD1-CG2 4.28Å; L774-L831 HydrophobicContact CD2-CB 3.91Å; L774-L831 HydrophobicContact CD2-CD1 4.2Å; L774-V834 HydrophobicContact CD1-CG2 4.2Å; L774-V834 HydrophobicContact CD2-CG2 3.87Å
775	E	90.8	Very high	89.5	Confident	48 Å²	48	58.2 Å²	58.2	22%	0.224	31%	0.311	C	S	.	.	H	α-helix	trans	-58.8	-41.2	179	-67.2	166.1	-176.9	0	0	112.3	P771 F777 I778 S779 V787 Q788 A789	P771-E775 WeakPolarHBondContact O-CG 3.32Å; P771-E775 PolarHBondContact O-N 3.29Å; E775-F777 PolarHBondContact O-N 3.1Å; E775-I778 PolarHBondContact O-N 3.05Å; E775-S779 WeakPolarHBondContact O-CB 3.16Å; E775-S779 PolarHBondContact O-N 3.17Å; E775-V787 HydrophobicContact CB-CG1 4.16Å; E775-V787 HydrophobicContact CG-CG1 4.35Å; E775-V787 HydrophobicContact CG-CG2 4.41Å; E775-Q788 WeakPolarHBondContact OE1-CA 3.48Å; E775-A789 HydrophobicContact CG-CB 4.31Å; E775-A789 PolarHBondContact OE1-N 3.13Å
776	R	85.6	Confident	89.6	Confident	166 Å²	166	52 Å²	52	63%	0.626	29%	0.292	S	S	*	.	H	α-helix	trans	-62.5	-36.7	-179.2	178.3	176.8	178.5	175.6	0.6	113.4	H772 L774 P780	H772-R776 WeakPolarHBondContact O-CB 2.84Å; H772-R776 PolarHBondContact O-N 2.91Å; L774-R776 VanDerWaalsContact C-N 3.33Å; L774-R776 PolarHBondContact O-N 3.06Å; R776-P780 WeakPolarHBondContact O-CD 3.31Å; R776-P780 WeakPolarHBondContact O-CG 3.44Å
777	F	90.8	Very high	90	Very high	70 Å²	70	50 Å²	50	31%	0.307	27%	0.267	S	S	.	.	H	α-helix	trans	-86.5	-29.1	178	-76.2	-83.5	0	0	0	112.9	M773 L774 E775 P780 L825 Q829 L831	M773-F777 WeakPolarHBondContact O-CD2 3.43Å; L774-F777 PolarHBondContact O-N 2.64Å; E775-F777 PolarHBondContact O-N 3.1Å; F777-P780 WeakPolarHBondContact O-CD 3.36Å; F777-L825 WeakPolarHBondContact O-CD2 3.1Å; F777-Q829 HydrophobicContact CD1-CB 4.35Å; F777-Q829 HydrophobicContact CD1-CG 3.81Å; F777-Q829 HydrophobicContact CE1-CB 4.38Å; F777-Q829 HydrophobicContact CE1-CG 4.01Å; F777-Q829 HydrophobicContact CG-CG 4.4Å; F777-L831 HydrophobicContact CB-CD1 3.86Å; F777-L831 HydrophobicContact CD2-CD1 3.67Å; F777-L831 HydrophobicContact CD2-CD2 3.81Å; F777-L831 HydrophobicContact CD2-CG 4.31Å; F777-L831 HydrophobicContact CE2-CD1 4.49Å; F777-L831 HydrophobicContact CE2-CD2 3.85Å; F777-L831 HydrophobicContact CG-CD1 3.95Å
778	I	94.1	Very high	90.2	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-84.5	-36.7	-177.5	-63.6	167.5	0	0	0	112.1	L774 E775 P780 L781 V784 V787 V803 V805 I822 L825	L774-I778 HydrophobicContact CB-CD1 4.35Å; L774-I778 WeakPolarHBondContact O-CB 3.17Å; L774-I778 WeakPolarHBondContact O-CD1 3.48Å; L774-I778 VanDerWaalsContact O-CG1 3.23Å; L774-I778 WeakPolarHBondContact O-CG1 3.46Å; L774-I778 PolarHBondContact O-N 3.04Å; E775-I778 PolarHBondContact O-N 3.05Å; I778-P780 VanDerWaalsContact C-CD 3.48Å; I778-L781 HydrophobicContact CG2-CD1 4.24Å; I778-L781 WeakPolarHBondContact O-CB 3.25Å; I778-L781 WeakPolarHBondContact O-CG 3.35Å; I778-L781 PolarHBondContact O-N 3.02Å; I778-L781 VanDerWaalsContact O-N 3.11Å; I778-V784 HydrophobicContact CG2-CG2 4.38Å; I778-V787 HydrophobicContact CB-CG1 4.42Å; I778-V787 HydrophobicContact CB-CG2 4.25Å; I778-V787 HydrophobicContact CG2-CB 4.15Å; I778-V787 HydrophobicContact CG2-CG1 4.34Å; I778-V787 HydrophobicContact CG2-CG2 3.84Å; I778-V803 HydrophobicContact CD1-CG1 3.88Å; I778-V803 HydrophobicContact CD1-CG2 4.25Å; I778-V805 HydrophobicContact CG2-CG2 4.49Å; I778-I822 HydrophobicContact CD1-CG2 3.67Å; I778-I822 HydrophobicContact CG1-CG2 4.22Å; I778-I822 HydrophobicContact CG2-CD1 3.97Å; I778-I822 HydrophobicContact CG2-CG1 4.09Å; I778-L825 HydrophobicContact CG1-CD2 4.27Å
779	S	90.4	Very high	90.2	Very high	64 Å²	64	45.1 Å²	45.1	45%	0.448	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-36.3	-178.8	-170.5	0	0	0	0	114.9	E775 L781	E775-S779 WeakPolarHBondContact O-CB 3.16Å; E775-S779 PolarHBondContact O-N 3.17Å; S779-L781 PolarHBondContact O-N 3.42Å
780	P	89.7	Confident	90	Very high	100 Å²	100	45 Å²	45	65%	0.649	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-9.8	175.3	-23.1	35.6	0	0	0	116.1	R776 F777 I778	R776-P780 WeakPolarHBondContact O-CD 3.31Å; R776-P780 WeakPolarHBondContact O-CG 3.44Å; F777-P780 WeakPolarHBondContact O-CD 3.36Å; I778-P780 VanDerWaalsContact C-CD 3.48Å
781	L	93.5	Very high	89.8	Confident	29 Å²	29	43.2 Å²	43.2	15%	0.152	23%	0.228	C	C	.	.	S	Bend	trans	-61.1	135.9	179.8	-70.8	173.6	0	0	0	110.6	I778 S779 W783 V784 I821 I822 L825	I778-L781 HydrophobicContact CG2-CD1 4.24Å; I778-L781 WeakPolarHBondContact O-CB 3.25Å; I778-L781 WeakPolarHBondContact O-CG 3.35Å; I778-L781 PolarHBondContact O-N 3.02Å; I778-L781 VanDerWaalsContact O-N 3.11Å; S779-L781 PolarHBondContact O-N 3.42Å; L781-W783 HydrophobicContact CD1-CH2 3.85Å; L781-W783 HydrophobicContact CD1-CZ2 3.87Å; L781-W783 HydrophobicContact CD1-CZ3 4.47Å; L781-W783 PolarHBondContact O-N 3.3Å; L781-V784 HydrophobicContact CB-CB 4.42Å; L781-V784 HydrophobicContact CB-CG2 3.76Å; L781-V784 HydrophobicContact CD1-CG2 4.42Å; L781-V784 PolarHBondContact O-N 3.27Å; L781-I821 HydrophobicContact CD1-CG2 4.41Å; L781-I821 HydrophobicContact CD2-CG2 4.41Å; L781-I822 HydrophobicContact CD1-CG1 3.96Å; L781-L825 HydrophobicContact CD1-CD2 4.05Å; L781-L825 HydrophobicContact CD2-CD2 4.28Å; L781-L825 HydrophobicContact CG-CD2 4.27Å
782	P	92.7	Very high	89.5	Confident	101 Å²	101	43.4 Å²	43.4	66%	0.656	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-23.8	-163.9	23.6	-34.4	0	0	0	113.9	K808	P782-K808 WeakPolarHBondContact O-CD 3.49Å; P782-K808 VanDerWaalsContact O-CE 3.22Å; P782-K808 WeakPolarHBondContact O-CE 3.48Å; P782-K808 PolarHBondContact O-NZ 3.04Å
783	W	94.5	Very high	89.3	Confident	25 Å²	25	47.3 Å²	47.3	10%	0.095	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-6.3	178.6	40.7	-106.2	0	0	0	114.9	L781 V805 L807 K808 A811 V813 A818 I821 I822	L781-W783 HydrophobicContact CD1-CH2 3.85Å; L781-W783 HydrophobicContact CD1-CZ2 3.87Å; L781-W783 HydrophobicContact CD1-CZ3 4.47Å; L781-W783 PolarHBondContact O-N 3.3Å; W783-V805 HydrophobicContact CZ3-CG1 4.31Å; W783-L807 HydrophobicContact CD2-CD2 4.42Å; W783-L807 HydrophobicContact CE3-CD2 3.46Å; W783-L807 VanDerWaalsContact CE3-CD2 3.46Å; W783-L807 HydrophobicContact CZ3-CD2 3.89Å; W783-L807 CarbonylContact O-C 3.57Å; W783-L807 WeakPolarHBondContact O-CA 3.31Å; W783-K808 PolarHBondContact O-N 3.36Å; W783-A811 HydrophobicContact CB-CB 3.79Å; W783-V813 HydrophobicContact CB-CG1 3.87Å; W783-V813 HydrophobicContact CD2-CB 4.45Å; W783-V813 HydrophobicContact CD2-CG1 3.73Å; W783-V813 HydrophobicContact CE3-CG1 4.13Å; W783-V813 HydrophobicContact CG-CB 4.16Å; W783-V813 HydrophobicContact CG-CG1 3.62Å; W783-A818 HydrophobicContact CE3-CB 4.5Å; W783-A818 HydrophobicContact CH2-CB 3.58Å; W783-A818 WeakPolarHBondContact CH2-O 3.48Å; W783-A818 HydrophobicContact CZ2-CB 4.07Å; W783-A818 HydrophobicContact CZ3-CB 3.82Å; W783-I821 HydrophobicContact CZ2-CB 4.2Å; W783-I821 HydrophobicContact CZ2-CD1 4.25Å; W783-I821 HydrophobicContact CZ2-CG2 3.95Å; W783-I822 HydrophobicContact CH2-CD1 3.75Å; W783-I822 HydrophobicContact CH2-CG1 3.91Å; W783-I822 HydrophobicContact CZ3-CD1 4.12Å
784	V	93.7	Very high	88.8	Confident	6 Å²	6	46.3 Å²	46.3	4%	0.036	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	122.8	-179.9	174.3	0	0	0	0	111.2	I778 L781 V787 V805 K808	I778-V784 HydrophobicContact CG2-CG2 4.38Å; L781-V784 HydrophobicContact CB-CB 4.42Å; L781-V784 HydrophobicContact CB-CG2 3.76Å; L781-V784 HydrophobicContact CD1-CG2 4.42Å; L781-V784 PolarHBondContact O-N 3.27Å; V784-V787 HydrophobicContact CG1-CB 4.24Å; V784-V787 HydrophobicContact CG1-CG1 4.43Å; V784-V805 HydrophobicContact CB-CG1 4.47Å; V784-V805 HydrophobicContact CG1-CG1 4.13Å; V784-V805 HydrophobicContact CG2-CG1 3.83Å; V784-K808 WeakPolarHBondContact O-CE 3.46Å
785	Q	90	Very high	88.3	Confident	93 Å²	93	52.5 Å²	52.5	44%	0.435	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	-38.7	170.8	-179.6	174	-13.8	0	0	111.9	V806 L807 K808	Q785-V806 HydrophobicContact CB-CB 4.5Å; Q785-V806 HydrophobicContact CB-CG1 4.24Å; Q785-V806 WeakPolarHBondContact CB-O 3.27Å; Q785-V806 PolarHBondContact N-O 2.88Å; Q785-L807 PolarHBondContact OE1-O 3.29Å; Q785-K808 HydrophobicContact CB-CG 3.88Å
786	T	89.3	Confident	87.9	Confident	31 Å²	31	55.4 Å²	55.4	19%	0.19	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	144.2	176.4	-57.1	0	0	0	0	108.5	V805 V806 L843 V851	T786-V805 WeakPolarHBondContact O-CA 3.36Å; T786-V806 PolarHBondContact N-O 3.06Å; T786-V806 PolarHBondContact O-N 3.17Å; T786-L843 HydrophobicContact CG2-CD1 3.65Å; T786-V851 HydrophobicContact CG2-CG2 4.35Å
787	V	90.4	Very high	87.6	Confident	15 Å²	15	48 Å²	48	9%	0.091	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	146.2	171	55.8	0	0	0	0	109.2	E775 I778 V784 V803 C804 V805	E775-V787 HydrophobicContact CB-CG1 4.16Å; E775-V787 HydrophobicContact CG-CG1 4.35Å; E775-V787 HydrophobicContact CG-CG2 4.41Å; I778-V787 HydrophobicContact CB-CG1 4.42Å; I778-V787 HydrophobicContact CB-CG2 4.25Å; I778-V787 HydrophobicContact CG2-CB 4.15Å; I778-V787 HydrophobicContact CG2-CG1 4.34Å; I778-V787 HydrophobicContact CG2-CG2 3.84Å; V784-V787 HydrophobicContact CG1-CB 4.24Å; V784-V787 HydrophobicContact CG1-CG1 4.43Å; V787-V803 HydrophobicContact CG2-CG1 3.44Å; V787-V803 VanDerWaalsContact CG2-CG1 3.44Å; V787-C804 CarbonylContact C-O 3.59Å; V787-C804 WeakPolarHBondContact CA-O 3.41Å; V787-V805 HydrophobicContact CB-CG2 4.49Å; V787-V805 HydrophobicContact CG2-CG2 4.12Å
788	Q	88.9	Confident	87.3	Confident	27 Å²	27	47 Å²	47	13%	0.126	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	136.7	165.1	-174.4	166.9	13.9	0	0	109.8	E775 V790 C804 F853	E775-Q788 WeakPolarHBondContact OE1-CA 3.48Å; Q788-V790 HydrophobicContact CG-CG1 4.33Å; Q788-C804 PolarHBondContact N-O 3.43Å; Q788-C804 PolarHBondContact O-N 2.86Å; Q788-F853 HydrophobicContact CG-CB 4.32Å
789	A	89.6	Confident	86.9	Confident	3 Å²	3	48.9 Å²	48.9	3%	0.025	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	139.9	173.1	0	0	0	0	0	110.9	P771 L774 E775 C802 V803	P771-A789 HydrophobicContact CB-CB 3.95Å; P771-A789 WeakPolarHBondContact CB-O 3.33Å; L774-A789 HydrophobicContact CB-CB 4.26Å; L774-A789 HydrophobicContact CD1-CB 4.05Å; E775-A789 HydrophobicContact CG-CB 4.31Å; E775-A789 PolarHBondContact OE1-N 3.13Å; A789-C802 CarbonylContact C-O 3.58Å; A789-C802 WeakPolarHBondContact CA-O 3.15Å; A789-V803 HydrophobicContact CB-CG2 4.11Å
790	V	86.6	Confident	86.8	Confident	4 Å²	4	45.9 Å²	45.9	2%	0.024	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	158.1	179.5	-62.8	0	0	0	0	112.5	Q788 L792 C802 F853	Q788-V790 HydrophobicContact CG-CG1 4.33Å; V790-L792 HydrophobicContact CG2-CD2 4.03Å; V790-C802 HydrophobicContact CG2-CB 4.23Å; V790-C802 PolarHBondContact N-O 3.28Å; V790-C802 PolarHBondContact O-N 3.46Å; V790-F853 HydrophobicContact CB-CD1 4.26Å; V790-F853 HydrophobicContact CG1-CB 4.1Å; V790-F853 HydrophobicContact CG1-CD1 3.71Å; V790-F853 HydrophobicContact CG1-CG 4.41Å; V790-F853 HydrophobicContact CG2-CD1 3.54Å; V790-F853 HydrophobicContact CG2-CE1 3.77Å
791	G	84.3	Confident	86.8	Confident	13 Å²	13	41.1 Å²	41.1	13%	0.134	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	134.6	166.2	0	0	0	0	0	110.8
792	L	82.9	Confident	86.7	Confident	21 Å²	21	39.8 Å²	39.8	11%	0.11	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	132.3	166.2	-56.4	-175.3	0	0	0	108.4	V790 D794 E799 S800 C802 M857 F865	V790-L792 HydrophobicContact CG2-CD2 4.03Å; L792-D794 PolarHBondContact O-N 2.91Å; L792-E799 CarbonylContact O-C 3.52Å; L792-E799 VanDerWaalsContact O-CA 3.25Å; L792-E799 WeakPolarHBondContact O-CA 2.94Å; L792-S800 PolarHBondContact N-O 2.66Å; L792-S800 PolarHBondContact O-N 2.8Å; L792-C802 HydrophobicContact CD1-CB 3.55Å; L792-C802 HydrophobicContact CD2-CB 4.41Å; L792-C802 HydrophobicContact CG-CB 3.68Å; L792-M857 HydrophobicContact CD1-CE 4.34Å; L792-M857 HydrophobicContact CD2-CB 4.23Å; L792-M857 HydrophobicContact CD2-CE 3.53Å; L792-M857 HydrophobicContact CD2-CG 4.03Å; L792-M857 HydrophobicContact CD2-SD 4.44Å; L792-F865 HydrophobicContact CD1-CD2 3.95Å
793	S	78.2	Confident	86.7	Confident	114 Å²	114	35 Å²	35	80%	0.797	22%	0.22	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-58.1	126.8	178.2	-173.8	0	0	0	0	111
794	D	77.7	Confident	86.6	Confident	42 Å²	42	33.8 Å²	33.8	23%	0.225	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	131.1	-169.9	-174	114.4	0	0	0	110.7	L792 V796 N797 G798 S800	L792-D794 PolarHBondContact O-N 2.91Å; D794-V796 VanDerWaalsContact C-N 3.28Å; D794-V796 PolarHBondContact O-N 3.42Å; D794-V796 WeakPolarHBondContact OD2-CA 3.23Å; D794-V796 WeakPolarHBondContact OD2-CB 2.93Å; D794-V796 PolarHBondContact OD2-N 3.05Å; D794-N797 HydrophobicContact CB-CB 4.12Å; D794-N797 PolarHBondContact OD2-N 3.41Å; D794-G798 PolarHBondContact N-O 3.04Å; D794-G798 CarbonylContact O-C 3.56Å; D794-G798 WeakPolarHBondContact O-CA 3.41Å; D794-G798 PolarHBondContact O-N 2.99Å; D794-S800 WeakPolarHBondContact CB-OG 3.2Å; D794-S800 WeakPolarHBondContact OD1-CB 3.46Å; D794-S800 PolarHBondContact OD1-OG 3.37Å
795	S	80.3	Confident	86.5	Confident	130 Å²	130	33.5 Å²	33.5	91%	0.909	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-13.5	-175.2	54	0	0	0	0	114.9
796	V	82.3	Confident	86.6	Confident	109 Å²	109	29.4 Å²	29.4	66%	0.661	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.9	-38.2	-179.8	-178.3	0	0	0	0	111.1	D794	D794-V796 VanDerWaalsContact C-N 3.28Å; D794-V796 PolarHBondContact O-N 3.42Å; D794-V796 WeakPolarHBondContact OD2-CA 3.23Å; D794-V796 WeakPolarHBondContact OD2-CB 2.93Å; D794-V796 PolarHBondContact OD2-N 3.05Å
797	N	80.7	Confident	86.7	Confident	11 Å²	11	29.9 Å²	29.9	6%	0.059	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-10.9	-177.5	-69.3	-24.2	0	0	0	113.6	R764 R765 D794 E799 S800 D835	R764-N797 HydrophobicContact CG-CB 4.29Å; R765-N797 WeakPolarHBondContact CA-O 3.24Å; R765-N797 HydrophobicContact CG-CB 4.39Å; R765-N797 VanDerWaalsContact CZ-OD1 3.3Å; R765-N797 PolarHBondContact N-O 3.17Å; R765-N797 PolarHBondContact NE-OD1 2.75Å; R765-N797 PolarHBondContact NH2-OD1 3.26Å; D794-N797 HydrophobicContact CB-CB 4.12Å; D794-N797 PolarHBondContact OD2-N 3.41Å; N797-E799 WeakPolarHBondContact CB-O 3.28Å; N797-E799 PolarHBondContact O-N 3Å; N797-S800 PolarHBondContact ND2-OG 2.83Å; N797-D835 PolarHBondContact ND2-OD1 3.23Å
798	G	83.2	Confident	86.8	Confident	48 Å²	48	33.5 Å²	33.5	50%	0.495	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	76.7	-62.4	-167.3	0	0	0	0	0	110.6	D794	D794-G798 PolarHBondContact N-O 3.04Å; D794-G798 CarbonylContact O-C 3.56Å; D794-G798 WeakPolarHBondContact O-CA 3.41Å; D794-G798 PolarHBondContact O-N 2.99Å
799	E	85.1	Confident	86.7	Confident	40 Å²	40	37.4 Å²	37.4	19%	0.187	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	133.5	160.9	-66.2	-174.6	104.5	0	0	110.8	I762 Y763 R764 L792 N797	I762-E799 WeakPolarHBondContact CA-OE2 3.31Å; I762-E799 HydrophobicContact CG2-CB 3.67Å; Y763-E799 PolarHBondContact N-OE2 3.21Å; R764-E799 VanDerWaalsContact CA-O 3.29Å; R764-E799 WeakPolarHBondContact CA-O 3.49Å; R764-E799 WeakPolarHBondContact CB-O 3.14Å; R764-E799 WeakPolarHBondContact CG-O 3.41Å; L792-E799 CarbonylContact O-C 3.52Å; L792-E799 VanDerWaalsContact O-CA 3.25Å; L792-E799 WeakPolarHBondContact O-CA 2.94Å; N797-E799 WeakPolarHBondContact CB-O 3.28Å; N797-E799 PolarHBondContact O-N 3Å
800	S	88.6	Confident	86.5	Confident	2 Å²	2	47 Å²	47	1%	0.014	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	141.7	168.2	-82.6	0	0	0	0	110.5	L792 D794 N797 C802 D835	L792-S800 PolarHBondContact N-O 2.66Å; L792-S800 PolarHBondContact O-N 2.8Å; D794-S800 WeakPolarHBondContact CB-OG 3.2Å; D794-S800 WeakPolarHBondContact OD1-CB 3.46Å; D794-S800 PolarHBondContact OD1-OG 3.37Å; N797-S800 PolarHBondContact ND2-OG 2.83Å; S800-C802 PolarHBondContact O-N 3.1Å; S800-D835 WeakPolarHBondContact CA-OD2 3.34Å
801	V	91	Very high	86.6	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	115.9	-177.3	171.4	0	0	0	0	109.7	I762 R764 V769 L774 V834 D835 H836	I762-V801 HydrophobicContact CD1-CG2 4.18Å; I762-V801 HydrophobicContact CG2-CG2 4.05Å; R764-V801 HydrophobicContact CB-CG2 4.29Å; V769-V801 HydrophobicContact CB-CG2 4.23Å; V769-V801 HydrophobicContact CG1-CG2 3.88Å; V769-V801 HydrophobicContact CG2-CG2 4.31Å; L774-V801 HydrophobicContact CD1-CG1 3.53Å; V801-V834 HydrophobicContact CG1-CG2 4.24Å; V801-D835 PolarHBondContact N-OD2 3.01Å; V801-D835 PolarHBondContact O-N 3.24Å; V801-H836 PolarHBondContact O-N 3.18Å
802	C	91.2	Very high	86.8	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	123.8	175.1	-173.5	0	0	0	0	111.2	A789 V790 L792 S800 H836	A789-C802 CarbonylContact C-O 3.58Å; A789-C802 WeakPolarHBondContact CA-O 3.15Å; V790-C802 HydrophobicContact CG2-CB 4.23Å; V790-C802 PolarHBondContact N-O 3.28Å; V790-C802 PolarHBondContact O-N 3.46Å; L792-C802 HydrophobicContact CD1-CB 3.55Å; L792-C802 HydrophobicContact CD2-CB 4.41Å; L792-C802 HydrophobicContact CG-CB 3.68Å; S800-C802 PolarHBondContact O-N 3.1Å; C802-H836 CarbonylContact C-O 3.56Å; C802-H836 WeakPolarHBondContact CA-O 3.48Å; C802-H836 HydrophobicContact CB-CB 3.97Å
803	V	92.1	Very high	87.2	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	121.6	171.5	-179.1	0	0	0	0	109.4	L774 I778 V787 A789 V805 V834 H836 I837 L838	L774-V803 HydrophobicContact CD1-CG2 4.28Å; I778-V803 HydrophobicContact CD1-CG1 3.88Å; I778-V803 HydrophobicContact CD1-CG2 4.25Å; V787-V803 HydrophobicContact CG2-CG1 3.44Å; V787-V803 VanDerWaalsContact CG2-CG1 3.44Å; A789-V803 HydrophobicContact CB-CG2 4.11Å; V803-V805 HydrophobicContact CG1-CG2 3.91Å; V803-V834 HydrophobicContact CB-CG1 4.13Å; V803-V834 HydrophobicContact CG2-CB 4.39Å; V803-V834 HydrophobicContact CG2-CG1 3.65Å; V803-V834 HydrophobicContact CG2-CG2 3.75Å; V803-H836 PolarHBondContact N-O 3.16Å; V803-I837 CarbonylContact O-C 3.56Å; V803-I837 VanDerWaalsContact O-CA 3.29Å; V803-I837 WeakPolarHBondContact O-CA 3.33Å; V803-L838 PolarHBondContact O-N 3.05Å
804	C	91.9	Very high	87.8	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	129.2	177.7	-63.7	0	0	0	0	109.9	V787 Q788 L838 L840 L843 F853	V787-C804 CarbonylContact C-O 3.59Å; V787-C804 WeakPolarHBondContact CA-O 3.41Å; Q788-C804 PolarHBondContact N-O 3.43Å; Q788-C804 PolarHBondContact O-N 2.86Å; C804-L838 CarbonylContact C-O 3.47Å; C804-L838 WeakPolarHBondContact CA-O 3.25Å; C804-L840 HydrophobicContact CB-CD1 3.92Å; C804-L843 HydrophobicContact CB-CD2 3.86Å; C804-F853 HydrophobicContact CB-CD1 4.47Å; C804-F853 HydrophobicContact CB-CE1 4.17Å; C804-F853 HydrophobicContact CB-CZ 4.28Å; C804-F853 WeakPolarHBondContact SG-CE1 3.4Å; C804-F853 WeakPolarHBondContact SG-CZ 3.4Å
805	V	92.3	Very high	88.4	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	132.1	-170.7	-175.6	0	0	0	0	110.2	I778 W783 V784 T786 V787 V803 L807 I822 L838 I839 L840	I778-V805 HydrophobicContact CG2-CG2 4.49Å; W783-V805 HydrophobicContact CZ3-CG1 4.31Å; V784-V805 HydrophobicContact CB-CG1 4.47Å; V784-V805 HydrophobicContact CG1-CG1 4.13Å; V784-V805 HydrophobicContact CG2-CG1 3.83Å; T786-V805 WeakPolarHBondContact O-CA 3.36Å; V787-V805 HydrophobicContact CB-CG2 4.49Å; V787-V805 HydrophobicContact CG2-CG2 4.12Å; V803-V805 HydrophobicContact CG1-CG2 3.91Å; V805-L807 HydrophobicContact CG1-CD2 4.41Å; V805-I822 HydrophobicContact CG2-CD1 3.85Å; V805-L838 PolarHBondContact N-O 2.97Å; V805-I839 HydrophobicContact CB-CD1 3.88Å; V805-I839 HydrophobicContact CG1-CD1 4.4Å; V805-I839 HydrophobicContact CG2-CD1 4.47Å; V805-I839 CarbonylContact O-C 3.56Å; V805-I839 WeakPolarHBondContact O-CA 3.38Å; V805-L840 PolarHBondContact O-N 3.35Å
806	V	91.3	Very high	88.9	Confident	7 Å²	7	54.5 Å²	54.5	4%	0.042	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	126.8	167.3	-179.2	0	0	0	0	108	Q785 T786 L840 N841 L843	Q785-V806 HydrophobicContact CB-CB 4.5Å; Q785-V806 HydrophobicContact CB-CG1 4.24Å; Q785-V806 WeakPolarHBondContact CB-O 3.27Å; Q785-V806 PolarHBondContact N-O 2.88Å; T786-V806 PolarHBondContact N-O 3.06Å; T786-V806 PolarHBondContact O-N 3.17Å; V806-L840 WeakPolarHBondContact CA-O 3.44Å; V806-L840 HydrophobicContact CG2-CB 4.44Å; V806-N841 WeakPolarHBondContact CG1-O 3.49Å; V806-L843 HydrophobicContact CG2-CB 4.44Å; V806-L843 HydrophobicContact CG2-CD1 3.73Å; V806-L843 HydrophobicContact CG2-CG 3.71Å
807	L	92.9	Very high	89.5	Confident	41 Å²	41	53.9 Å²	53.9	22%	0.215	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	150.8	175.7	-59.3	-178.4	0	0	0	110.9	W783 Q785 V805 A811 V813 I839	W783-L807 HydrophobicContact CD2-CD2 4.42Å; W783-L807 HydrophobicContact CE3-CD2 3.46Å; W783-L807 VanDerWaalsContact CE3-CD2 3.46Å; W783-L807 HydrophobicContact CZ3-CD2 3.89Å; W783-L807 CarbonylContact O-C 3.57Å; W783-L807 WeakPolarHBondContact O-CA 3.31Å; Q785-L807 PolarHBondContact OE1-O 3.29Å; V805-L807 HydrophobicContact CG1-CD2 4.41Å; L807-A811 HydrophobicContact CB-CB 4.07Å; L807-V813 HydrophobicContact CD1-CG1 4.26Å; L807-V813 HydrophobicContact CD2-CG1 4.14Å; L807-I839 HydrophobicContact CD1-CG2 3.86Å; L807-I839 HydrophobicContact CD2-CG2 4.46Å; L807-I839 HydrophobicContact CG-CG2 3.78Å
808	K	92.1	Very high	90.1	Very high	91 Å²	91	53.4 Å²	53.4	40%	0.396	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-64.8	149.3	171.2	-66.5	178.9	-166.4	171.4	0	110.5	P782 W783 V784 Q785 K810 A811	P782-K808 WeakPolarHBondContact O-CD 3.49Å; P782-K808 VanDerWaalsContact O-CE 3.22Å; P782-K808 WeakPolarHBondContact O-CE 3.48Å; P782-K808 PolarHBondContact O-NZ 3.04Å; W783-K808 PolarHBondContact O-N 3.36Å; V784-K808 WeakPolarHBondContact O-CE 3.46Å; Q785-K808 HydrophobicContact CB-CG 3.88Å; K808-K810 PolarHBondContact O-N 3.23Å; K808-A811 WeakPolarHBondContact O-CB 3.46Å; K808-A811 PolarHBondContact O-N 3.49Å
809	P	86.3	Confident	90.7	Very high	109 Å²	109	52.9 Å²	52.9	71%	0.708	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	127.2	169.7	-23.1	34.1	0	0	0	110.1
810	K	85.9	Confident	91.2	Very high	206 Å²	206	55.2 Å²	55.2	90%	0.896	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.1	33.7	-174	-45.2	177.3	-177.9	-179.1	0	114.8	K808 E812	K808-K810 PolarHBondContact O-N 3.23Å; K810-E812 PolarHBondContact O-N 3.06Å
811	A	88.6	Confident	91.5	Very high	29 Å²	29	58.3 Å²	58.3	24%	0.24	31%	0.306	C	S	.	.			trans	-62.3	127.6	168	0	0	0	0	0	111.4	W783 L807 K808 V813	W783-A811 HydrophobicContact CB-CB 3.79Å; L807-A811 HydrophobicContact CB-CB 4.07Å; K808-A811 WeakPolarHBondContact O-CB 3.46Å; K808-A811 PolarHBondContact O-N 3.49Å; A811-V813 VanDerWaalsContact C-N 3.3Å; A811-V813 HydrophobicContact CB-CG1 4.4Å; A811-V813 PolarHBondContact O-N 3.47Å
812	E	87.5	Confident	91.7	Very high	200 Å²	200	58.3 Å²	58.3	94%	0.935	31%	0.306	S	S	*	.	S	Bend	trans	-88.8	66.2	175	-65	179.7	168.1	0	0	110.1	K810	K810-E812 PolarHBondContact O-N 3.06Å
813	V	91.6	Very high	91.9	Very high	28 Å²	28	63.3 Å²	63.3	17%	0.17	33%	0.327	C	S	.	.			trans	-153.7	145	172.5	73	0	0	0	0	109	W783 L807 A811 D817 A818 I821	W783-V813 HydrophobicContact CB-CG1 3.87Å; W783-V813 HydrophobicContact CD2-CB 4.45Å; W783-V813 HydrophobicContact CD2-CG1 3.73Å; W783-V813 HydrophobicContact CE3-CG1 4.13Å; W783-V813 HydrophobicContact CG-CB 4.16Å; W783-V813 HydrophobicContact CG-CG1 3.62Å; L807-V813 HydrophobicContact CD1-CG1 4.26Å; L807-V813 HydrophobicContact CD2-CG1 4.14Å; A811-V813 VanDerWaalsContact C-N 3.3Å; A811-V813 HydrophobicContact CB-CG1 4.4Å; A811-V813 PolarHBondContact O-N 3.47Å; V813-D817 HydrophobicContact CG2-CB 3.9Å; V813-A818 HydrophobicContact CG1-CB 4.21Å; V813-A818 HydrophobicContact CG2-CB 4.03Å; V813-I821 HydrophobicContact CG2-CD1 4.43Å
814	D	91.2	Very high	92	Very high	89 Å²	89	69.4 Å²	69.4	48%	0.476	35%	0.354	S	S	.	.			trans	-93.5	171.4	173.6	77.5	48.1	0	0	0	113.4	A816 D817 A818	D814-A816 VanDerWaalsContact C-N 3.28Å; D814-A816 PolarHBondContact O-N 3.06Å; D814-A816 WeakPolarHBondContact OD1-CA 3.25Å; D814-A816 WeakPolarHBondContact OD1-CB 3.09Å; D814-A816 PolarHBondContact OD1-N 3Å; D814-D817 PolarHBondContact OD1-N 2.97Å; D814-A818 WeakPolarHBondContact O-CB 3.2Å; D814-A818 PolarHBondContact O-N 3.48Å
815	E	89.9	Confident	92.2	Very high	74 Å²	74	70.8 Å²	70.8	35%	0.346	36%	0.361	S	S	.	.	H	α-helix	trans	-65.7	-25.7	-177.1	179.7	174.2	173	0	0	113.4	K819 I839 K873	E815-K819 HydrophobicContact CG-CD 4.38Å; E815-K819 VanDerWaalsContact CG-CE 3.48Å; E815-K819 VanDerWaalsContact O-CD 3.27Å; E815-K819 WeakPolarHBondContact O-CD 3.38Å; E815-K819 WeakPolarHBondContact O-CE 3.21Å; E815-K819 WeakPolarHBondContact O-CG 3.19Å; E815-K819 WeakPolarHBondContact OE1-CE 3.32Å; E815-K819 IonicContact OE1-NZ 3.3Å; E815-K819 PolarHBondContact OE1-NZ 3.45Å; E815-I839 HydrophobicContact CB-CG1 4.48Å; E815-I839 HydrophobicContact CG-CB 4.19Å; E815-I839 HydrophobicContact CG-CG1 3.84Å; E815-K873 IonicContact OE1-NZ 2.78Å; E815-K873 PolarHBondContact OE1-NZ 3.2Å; E815-K873 IonicContact OE2-NZ 3.09Å; E815-K873 PolarHBondContact OE2-NZ 3.23Å
816	A	92.3	Very high	92.2	Very high	60 Å²	60	71 Å²	71	50%	0.496	36%	0.363	S	S	.	.	H	α-helix	trans	-83.2	-51.7	178.6	0	0	0	0	0	111	D814 A818 K819 D820	D814-A816 VanDerWaalsContact C-N 3.28Å; D814-A816 PolarHBondContact O-N 3.06Å; D814-A816 WeakPolarHBondContact OD1-CA 3.25Å; D814-A816 WeakPolarHBondContact OD1-CB 3.09Å; D814-A816 PolarHBondContact OD1-N 3Å; A816-A818 VanDerWaalsContact C-N 3.31Å; A816-A818 PolarHBondContact O-N 3.1Å; A816-K819 PolarHBondContact O-N 2.75Å; A816-D820 PolarHBondContact O-N 2.88Å
817	D	94.3	Very high	92.2	Very high	97 Å²	97	75.1 Å²	75.1	52%	0.519	39%	0.392	S	S	.	.	H	α-helix	trans	-56.8	-44.9	177	-93.6	2.6	0	0	0	111.2	V813 D814 K819 D820 I821	V813-D817 HydrophobicContact CG2-CB 3.9Å; D814-D817 PolarHBondContact OD1-N 2.97Å; D817-K819 VanDerWaalsContact C-N 3.29Å; D817-K819 PolarHBondContact O-N 3.13Å; D817-D820 PolarHBondContact O-N 3.12Å; D817-I821 WeakPolarHBondContact O-CB 3.39Å; D817-I821 WeakPolarHBondContact O-CD1 3.5Å; D817-I821 WeakPolarHBondContact O-CG1 3.3Å; D817-I821 PolarHBondContact O-N 2.79Å
818	A	94	Very high	92.2	Very high	0 Å²	0	78.8 Å²	78.8	0%	0	41%	0.408	C	S	.	.	H	α-helix	trans	-57.8	-40.4	176.9	0	0	0	0	0	112.5	W783 V813 D814 A816 I822 I839	W783-A818 HydrophobicContact CE3-CB 4.5Å; W783-A818 HydrophobicContact CH2-CB 3.58Å; W783-A818 WeakPolarHBondContact CH2-O 3.48Å; W783-A818 HydrophobicContact CZ2-CB 4.07Å; W783-A818 HydrophobicContact CZ3-CB 3.82Å; V813-A818 HydrophobicContact CG1-CB 4.21Å; V813-A818 HydrophobicContact CG2-CB 4.03Å; D814-A818 WeakPolarHBondContact O-CB 3.2Å; D814-A818 PolarHBondContact O-N 3.48Å; A816-A818 VanDerWaalsContact C-N 3.31Å; A816-A818 PolarHBondContact O-N 3.1Å; A818-I822 WeakPolarHBondContact O-CD1 3.36Å; A818-I822 VanDerWaalsContact O-CG1 3.3Å; A818-I822 WeakPolarHBondContact O-CG1 3.48Å; A818-I822 PolarHBondContact O-N 3.41Å; A818-I822 VanDerWaalsContact O-N 3.17Å; A818-I839 HydrophobicContact CB-CD1 4.28Å
819	K	95.1	Very high	92.2	Very high	38 Å²	38	78.9 Å²	78.9	17%	0.165	41%	0.409	C	S	.	.	H	α-helix	trans	-70.7	-43	179.8	-71.6	176.4	-171.5	-178.9	0	111.9	E815 A816 D817 I822 K823 I837	E815-K819 HydrophobicContact CG-CD 4.38Å; E815-K819 VanDerWaalsContact CG-CE 3.48Å; E815-K819 VanDerWaalsContact O-CD 3.27Å; E815-K819 WeakPolarHBondContact O-CD 3.38Å; E815-K819 WeakPolarHBondContact O-CE 3.21Å; E815-K819 WeakPolarHBondContact O-CG 3.19Å; E815-K819 WeakPolarHBondContact OE1-CE 3.32Å; E815-K819 IonicContact OE1-NZ 3.3Å; E815-K819 PolarHBondContact OE1-NZ 3.45Å; A816-K819 PolarHBondContact O-N 2.75Å; D817-K819 VanDerWaalsContact C-N 3.29Å; D817-K819 PolarHBondContact O-N 3.13Å; K819-I822 PolarHBondContact O-N 3.47Å; K819-K823 WeakPolarHBondContact O-CG 3.37Å; K819-K823 PolarHBondContact O-N 3.17Å; K819-I837 HydrophobicContact CB-CB 4.48Å; K819-I837 HydrophobicContact CB-CD1 4.16Å; K819-I837 HydrophobicContact CD-CB 4.39Å; K819-I837 WeakPolarHBondContact CE-O 3.49Å; K819-I837 HydrophobicContact CG-CB 3.88Å; K819-I837 HydrophobicContact CG-CD1 4.45Å; K819-I837 HydrophobicContact CG-CG2 3.76Å; K819-I837 PolarHBondContact NZ-O 3.12Å; K819-I837 VanDerWaalsContact O-CD1 3.27Å; K819-I837 WeakPolarHBondContact O-CD1 3.43Å
820	D	94.9	Very high	92.5	Very high	89 Å²	89	83 Å²	83	48%	0.476	42%	0.416	S	S	.	.	H	α-helix	trans	-77	-31.6	-177.2	-76.1	-2.6	0	0	0	112.3	A816 D817 K823 K824	A816-D820 PolarHBondContact O-N 2.88Å; D817-D820 PolarHBondContact O-N 3.12Å; D820-K823 PolarHBondContact O-N 3.26Å; D820-K823 WeakPolarHBondContact OD1-CD 3.25Å; D820-K823 WeakPolarHBondContact OD1-CE 3.4Å; D820-K823 IonicContact OD1-NZ 3.82Å; D820-K823 PolarHBondContact OD1-NZ 3.38Å; D820-K824 VanDerWaalsContact O-CB 3.23Å; D820-K824 WeakPolarHBondContact O-CB 3.17Å; D820-K824 PolarHBondContact O-N 3.24Å
821	I	95.3	Very high	92.7	Very high	66 Å²	66	74.1 Å²	74.1	34%	0.338	38%	0.378	S	S	.	.	H	α-helix	trans	-58.1	-46.8	165.8	-69.6	164.9	0	0	0	110.7	L781 W783 V813 D817 K824 L825	L781-I821 HydrophobicContact CD1-CG2 4.41Å; L781-I821 HydrophobicContact CD2-CG2 4.41Å; W783-I821 HydrophobicContact CZ2-CB 4.2Å; W783-I821 HydrophobicContact CZ2-CD1 4.25Å; W783-I821 HydrophobicContact CZ2-CG2 3.95Å; V813-I821 HydrophobicContact CG2-CD1 4.43Å; D817-I821 WeakPolarHBondContact O-CB 3.39Å; D817-I821 WeakPolarHBondContact O-CD1 3.5Å; D817-I821 WeakPolarHBondContact O-CG1 3.3Å; D817-I821 PolarHBondContact O-N 2.79Å; I821-K824 PolarHBondContact O-N 3.01Å; I821-L825 VanDerWaalsContact O-CB 3.27Å; I821-L825 WeakPolarHBondContact O-CB 3.11Å; I821-L825 PolarHBondContact O-N 3.15Å
822	I	95.5	Very high	92.6	Very high	0 Å²	0	74.7 Å²	74.7	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-64.7	-45.9	178.8	-74.4	166.3	0	0	0	111.8	I778 L781 W783 V805 A818 K819 K824 L825 C826 I837	I778-I822 HydrophobicContact CD1-CG2 3.67Å; I778-I822 HydrophobicContact CG1-CG2 4.22Å; I778-I822 HydrophobicContact CG2-CD1 3.97Å; I778-I822 HydrophobicContact CG2-CG1 4.09Å; L781-I822 HydrophobicContact CD1-CG1 3.96Å; W783-I822 HydrophobicContact CH2-CD1 3.75Å; W783-I822 HydrophobicContact CH2-CG1 3.91Å; W783-I822 HydrophobicContact CZ3-CD1 4.12Å; V805-I822 HydrophobicContact CG2-CD1 3.85Å; A818-I822 WeakPolarHBondContact O-CD1 3.36Å; A818-I822 VanDerWaalsContact O-CG1 3.3Å; A818-I822 WeakPolarHBondContact O-CG1 3.48Å; A818-I822 PolarHBondContact O-N 3.41Å; A818-I822 VanDerWaalsContact O-N 3.17Å; K819-I822 PolarHBondContact O-N 3.47Å; I822-K824 VanDerWaalsContact C-N 3.33Å; I822-K824 PolarHBondContact O-N 3.28Å; I822-L825 PolarHBondContact O-N 3.05Å; I822-C826 PolarHBondContact O-N 3.48Å; I822-C826 PolarHBondContact O-SG 3.46Å; I822-I837 HydrophobicContact CB-CD1 3.89Å; I822-I837 HydrophobicContact CD1-CG2 4.32Å; I822-I837 HydrophobicContact CG2-CD1 3.58Å; I822-I837 HydrophobicContact CG2-CG1 4.28Å
823	K	94.5	Very high	92.7	Very high	106 Å²	106	68.6 Å²	68.6	46%	0.461	36%	0.358	S	S	.	.	H	α-helix	trans	-58.2	-46.3	176.1	-69.8	171.9	-162.5	158.3	0	111.5	K819 D820 C826 S827 I837	K819-K823 WeakPolarHBondContact O-CG 3.37Å; K819-K823 PolarHBondContact O-N 3.17Å; D820-K823 PolarHBondContact O-N 3.26Å; D820-K823 WeakPolarHBondContact OD1-CD 3.25Å; D820-K823 WeakPolarHBondContact OD1-CE 3.4Å; D820-K823 IonicContact OD1-NZ 3.82Å; D820-K823 PolarHBondContact OD1-NZ 3.38Å; K823-C826 PolarHBondContact O-N 3.35Å; K823-S827 PolarHBondContact O-N 3.01Å; K823-I837 HydrophobicContact CG-CD1 3.83Å
824	K	94.9	Very high	92.6	Very high	127 Å²	127	68.4 Å²	68.4	55%	0.552	36%	0.356	S	S	*	.	H	α-helix	trans	-61.7	-48.5	179.3	-179.2	177.1	171	-178.7	0	110.9	D820 I821 I822 C826 S827 E828	D820-K824 VanDerWaalsContact O-CB 3.23Å; D820-K824 WeakPolarHBondContact O-CB 3.17Å; D820-K824 PolarHBondContact O-N 3.24Å; I821-K824 PolarHBondContact O-N 3.01Å; I822-K824 VanDerWaalsContact C-N 3.33Å; I822-K824 PolarHBondContact O-N 3.28Å; K824-C826 PolarHBondContact O-N 2.78Å; K824-S827 WeakPolarHBondContact O-CB 3.48Å; K824-S827 PolarHBondContact O-N 3.25Å; K824-S827 VanDerWaalsContact O-N 3.13Å; K824-E828 VanDerWaalsContact CE-CD 3.44Å; K824-E828 WeakPolarHBondContact CE-OE1 3.42Å; K824-E828 HydrophobicContact CG-CG 4.29Å; K824-E828 IonicContact NZ-OE1 3.56Å; K824-E828 WeakPolarHBondContact O-CG 3.3Å; K824-E828 PolarHBondContact O-N 3.37Å
825	L	94.9	Very high	92.6	Very high	29 Å²	29	66.6 Å²	66.6	15%	0.152	35%	0.347	C	S	.	.	H	α-helix	trans	-55.8	-47.2	175.7	176.9	66.4	0	0	0	112	F777 I778 L781 I821 I822 S827 E828 Q829	F777-L825 WeakPolarHBondContact O-CD2 3.1Å; I778-L825 HydrophobicContact CG1-CD2 4.27Å; L781-L825 HydrophobicContact CD1-CD2 4.05Å; L781-L825 HydrophobicContact CD2-CD2 4.28Å; L781-L825 HydrophobicContact CG-CD2 4.27Å; I821-L825 VanDerWaalsContact O-CB 3.27Å; I821-L825 WeakPolarHBondContact O-CB 3.11Å; I821-L825 PolarHBondContact O-N 3.15Å; I822-L825 PolarHBondContact O-N 3.05Å; L825-S827 VanDerWaalsContact C-N 3.31Å; L825-S827 PolarHBondContact O-N 2.71Å; L825-E828 PolarHBondContact O-N 2.7Å; L825-Q829 HydrophobicContact CD1-CG 3.84Å; L825-Q829 HydrophobicContact CG-CG 4.47Å; L825-Q829 WeakPolarHBondContact O-CB 3.5Å; L825-Q829 VanDerWaalsContact O-CG 3.3Å; L825-Q829 WeakPolarHBondContact O-CG 3.37Å; L825-Q829 PolarHBondContact O-N 3.24Å
826	C	93.2	Very high	92.7	Very high	5 Å²	5	64.8 Å²	64.8	3%	0.034	34%	0.338	C	S	.	.	H	α-helix	trans	-61.4	-39.8	177.4	-68.4	0	0	0	0	112.2	I822 K823 K824 K830 L831	I822-C826 PolarHBondContact O-N 3.48Å; I822-C826 PolarHBondContact O-SG 3.46Å; K823-C826 PolarHBondContact O-N 3.35Å; K824-C826 PolarHBondContact O-N 2.78Å; C826-K830 PolarHBondContact O-N 3.27Å; C826-L831 HydrophobicContact CB-CB 4.26Å; C826-L831 PolarHBondContact O-N 3.25Å
827	S	91.6	Very high	92.6	Very high	93 Å²	93	62.5 Å²	62.5	65%	0.65	32%	0.317	S	S	*	.	H	α-helix	trans	-66.2	-48.9	176.3	-169	0	0	0	0	112.2	K823 K824 L825 Q829 K830	K823-S827 PolarHBondContact O-N 3.01Å; K824-S827 WeakPolarHBondContact O-CB 3.48Å; K824-S827 PolarHBondContact O-N 3.25Å; K824-S827 VanDerWaalsContact O-N 3.13Å; L825-S827 VanDerWaalsContact C-N 3.31Å; L825-S827 PolarHBondContact O-N 2.71Å; S827-Q829 PolarHBondContact O-N 3.5Å; S827-K830 PolarHBondContact O-N 3Å
828	E	93.4	Very high	92.4	Very high	118 Å²	118	58 Å²	58	55%	0.551	29%	0.293	S	S	*	.	H	α-helix	trans	-64.5	-38.2	-178.9	-71.8	177.1	154.1	0	0	112.3	K824 L825 K830	K824-E828 VanDerWaalsContact CE-CD 3.44Å; K824-E828 WeakPolarHBondContact CE-OE1 3.42Å; K824-E828 HydrophobicContact CG-CG 4.29Å; K824-E828 IonicContact NZ-OE1 3.56Å; K824-E828 WeakPolarHBondContact O-CG 3.3Å; K824-E828 PolarHBondContact O-N 3.37Å; L825-E828 PolarHBondContact O-N 2.7Å; E828-K830 PolarHBondContact O-N 3.29Å
829	Q	91.7	Very high	92.2	Very high	93 Å²	93	59 Å²	59	44%	0.435	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	4.7	174.9	-60	-60.2	-39.6	0	0	113.4	F777 L825 S827 L831	F777-Q829 HydrophobicContact CD1-CB 4.35Å; F777-Q829 HydrophobicContact CD1-CG 3.81Å; F777-Q829 HydrophobicContact CE1-CB 4.38Å; F777-Q829 HydrophobicContact CE1-CG 4.01Å; F777-Q829 HydrophobicContact CG-CG 4.4Å; L825-Q829 HydrophobicContact CD1-CG 3.84Å; L825-Q829 HydrophobicContact CG-CG 4.47Å; L825-Q829 WeakPolarHBondContact O-CB 3.5Å; L825-Q829 VanDerWaalsContact O-CG 3.3Å; L825-Q829 WeakPolarHBondContact O-CG 3.37Å; L825-Q829 PolarHBondContact O-N 3.24Å; S827-Q829 PolarHBondContact O-N 3.5Å; Q829-L831 HydrophobicContact CB-CD1 4.15Å; Q829-L831 HydrophobicContact CB-CD2 4.38Å; Q829-L831 HydrophobicContact CB-CG 3.84Å; Q829-L831 PolarHBondContact O-N 2.85Å
830	K	91.3	Very high	91.7	Very high	196 Å²	196	57.8 Å²	57.8	85%	0.852	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	32.7	-179.2	-55.4	178.8	-177	175.2	0	114	C826 S827 E828	C826-K830 PolarHBondContact O-N 3.27Å; S827-K830 PolarHBondContact O-N 3Å; E828-K830 PolarHBondContact O-N 3.29Å
831	L	90.4	Very high	91	Very high	19 Å²	19	61.3 Å²	61.3	10%	0.099	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-75.5	162.4	177.3	-57.1	179.9	0	0	0	110.9	M773 L774 F777 C826 Q829	M773-L831 HydrophobicContact CE-CD2 4.21Å; L774-L831 HydrophobicContact CD2-CB 3.91Å; L774-L831 HydrophobicContact CD2-CD1 4.2Å; F777-L831 HydrophobicContact CB-CD1 3.86Å; F777-L831 HydrophobicContact CD2-CD1 3.67Å; F777-L831 HydrophobicContact CD2-CD2 3.81Å; F777-L831 HydrophobicContact CD2-CG 4.31Å; F777-L831 HydrophobicContact CE2-CD1 4.49Å; F777-L831 HydrophobicContact CE2-CD2 3.85Å; F777-L831 HydrophobicContact CG-CD1 3.95Å; C826-L831 HydrophobicContact CB-CB 4.26Å; C826-L831 PolarHBondContact O-N 3.25Å; Q829-L831 HydrophobicContact CB-CD1 4.15Å; Q829-L831 HydrophobicContact CB-CD2 4.38Å; Q829-L831 HydrophobicContact CB-CG 3.84Å; Q829-L831 PolarHBondContact O-N 2.85Å
832	P	87.5	Confident	90.2	Very high	41 Å²	41	65 Å²	65	27%	0.266	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-54.1	142.6	172.3	-28	37.5	0	0	0	112.3	V769 V834	V769-P832 HydrophobicContact CB-CB 4.3Å; V769-P832 HydrophobicContact CG1-CB 3.73Å; V769-P832 HydrophobicContact CG1-CG 3.98Å; V769-P832 HydrophobicContact CG2-CB 3.66Å; V769-P832 HydrophobicContact CG2-CG 4.11Å; P832-V834 PolarHBondContact O-N 3.35Å
833	P	88.8	Confident	89.2	Confident	73 Å²	73	65.1 Å²	65.1	47%	0.474	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-63.7	133.3	-177.8	26.5	-35.3	0	0	0	111.2
834	V	90.9	Very high	87.6	Confident	23 Å²	23	61.4 Å²	61.4	14%	0.139	32%	0.316	C	S	.	.			trans	-92.9	113.9	174.7	177.5	0	0	0	0	108.6	L774 V801 V803 P832 H836 I837	L774-V834 HydrophobicContact CD1-CG2 4.2Å; L774-V834 HydrophobicContact CD2-CG2 3.87Å; V801-V834 HydrophobicContact CG1-CG2 4.24Å; V803-V834 HydrophobicContact CB-CG1 4.13Å; V803-V834 HydrophobicContact CG2-CB 4.39Å; V803-V834 HydrophobicContact CG2-CG1 3.65Å; V803-V834 HydrophobicContact CG2-CG2 3.75Å; P832-V834 PolarHBondContact O-N 3.35Å; V834-H836 WeakPolarHBondContact CG1-O 3.47Å; V834-I837 HydrophobicContact CG1-CD1 4.34Å; V834-I837 HydrophobicContact CG1-CG1 3.63Å
835	D	91	Very high	85.6	Confident	51 Å²	51	61.4 Å²	61.4	27%	0.273	31%	0.312	S	S	.	.			trans	-75.5	-34.5	179.9	-57.7	-73.5	0	0	0	111.9	R764 N797 S800 V801	R764-D835 WeakPolarHBondContact CD-OD2 3.5Å; R764-D835 IonicContact CZ-OD1 3.66Å; R764-D835 IonicContact CZ-OD2 2.66Å; R764-D835 IonicContact NE-OD1 2.99Å; R764-D835 PolarHBondContact NE-OD1 2.88Å; R764-D835 VanDerWaalsContact NE-OD1 3.17Å; R764-D835 IonicContact NE-OD2 3.48Å; R764-D835 PolarHBondContact NE-OD2 2.82Å; R764-D835 IonicContact NH2-OD1 3.08Å; R764-D835 PolarHBondContact NH2-OD1 3.07Å; R764-D835 IonicContact NH2-OD2 3.84Å; N797-D835 PolarHBondContact ND2-OD1 3.23Å; S800-D835 WeakPolarHBondContact CA-OD2 3.34Å; V801-D835 PolarHBondContact N-OD2 3.01Å; V801-D835 PolarHBondContact O-N 3.24Å
836	H	90.7	Very high	83.3	Confident	37 Å²	37	60.6 Å²	60.6	17%	0.171	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	141.1	-173.6	-57.7	-53.1	0	0	0	112.3	V801 C802 V803 V834 F865	V801-H836 PolarHBondContact O-N 3.18Å; C802-H836 CarbonylContact C-O 3.56Å; C802-H836 WeakPolarHBondContact CA-O 3.48Å; C802-H836 HydrophobicContact CB-CB 3.97Å; V803-H836 PolarHBondContact N-O 3.16Å; V834-H836 WeakPolarHBondContact CG1-O 3.47Å; H836-F865 HydrophobicContact CB-CD2 3.95Å; H836-F865 HydrophobicContact CB-CE2 3.52Å; H836-F865 HydrophobicContact CB-CZ 4.08Å; H836-F865 AromaticContact CD2-CD2 3.66Å; H836-F865 AromaticContact CE1-CD1 3.88Å; H836-F865 AromaticContact CE1-CD2 3.91Å; H836-F865 AromaticContact CE1-CG 3.62Å; H836-F865 AromaticContact CG-CD2 3.47Å; H836-F865 VanDerWaalsContact CG-CD2 3.47Å; H836-F865 AromaticContact CG-CE2 3.52Å; H836-F865 AromaticContact CG-CG 3.99Å; H836-F865 AromaticContact ND1-CD1 3.82Å; H836-F865 AromaticContact ND1-CD2 3.65Å; H836-F865 AromaticContact ND1-CE1 3.9Å; H836-F865 AromaticContact ND1-CE2 3.74Å; H836-F865 AromaticContact ND1-CG 3.7Å; H836-F865 AromaticContact ND1-CZ 3.86Å; H836-F865 AromaticContact NE2-CD2 3.92Å; H836-F865 AromaticContact NE2-CG 3.85Å
837	I	91.4	Very high	80.5	Confident	11 Å²	11	66 Å²	66	6%	0.056	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	123.6	171.5	-55.3	165.8	0	0	0	108.9	V803 K819 I822 K823 V834 I839	V803-I837 CarbonylContact O-C 3.56Å; V803-I837 VanDerWaalsContact O-CA 3.29Å; V803-I837 WeakPolarHBondContact O-CA 3.33Å; K819-I837 HydrophobicContact CB-CB 4.48Å; K819-I837 HydrophobicContact CB-CD1 4.16Å; K819-I837 HydrophobicContact CD-CB 4.39Å; K819-I837 WeakPolarHBondContact CE-O 3.49Å; K819-I837 HydrophobicContact CG-CB 3.88Å; K819-I837 HydrophobicContact CG-CD1 4.45Å; K819-I837 HydrophobicContact CG-CG2 3.76Å; K819-I837 PolarHBondContact NZ-O 3.12Å; K819-I837 VanDerWaalsContact O-CD1 3.27Å; K819-I837 WeakPolarHBondContact O-CD1 3.43Å; I822-I837 HydrophobicContact CB-CD1 3.89Å; I822-I837 HydrophobicContact CD1-CG2 4.32Å; I822-I837 HydrophobicContact CG2-CD1 3.58Å; I822-I837 HydrophobicContact CG2-CG1 4.28Å; K823-I837 HydrophobicContact CG-CD1 3.83Å; V834-I837 HydrophobicContact CG1-CD1 4.34Å; V834-I837 HydrophobicContact CG1-CG1 3.63Å; I837-I839 HydrophobicContact CG2-CD1 4.34Å
838	L	89.2	Confident	77.9	Confident	2 Å²	2	64.9 Å²	64.9	1%	0.01	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	126.1	176.4	-64.2	178.5	0	0	0	109.5	V803 C804 V805 L840 F865 E869 L872	V803-L838 PolarHBondContact O-N 3.05Å; C804-L838 CarbonylContact C-O 3.47Å; C804-L838 WeakPolarHBondContact CA-O 3.25Å; V805-L838 PolarHBondContact N-O 2.97Å; L838-L840 HydrophobicContact CB-CD2 4.26Å; L838-L840 HydrophobicContact CB-CG 4.39Å; L838-F865 HydrophobicContact CD1-CE2 4.41Å; L838-F865 HydrophobicContact CD2-CE2 3.79Å; L838-F865 HydrophobicContact CD2-CZ 3.79Å; L838-F865 HydrophobicContact CG-CE2 4.15Å; L838-E869 HydrophobicContact CD2-CB 3.97Å; L838-E869 HydrophobicContact CD2-CG 3.88Å; L838-L872 HydrophobicContact CD1-CD1 3.83Å
839	I	89.7	Confident	75.1	Confident	23 Å²	23	69.2 Å²	69.2	12%	0.118	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	128.8	167.2	-54	-53.4	0	0	0	107.4	V805 L807 E815 A818 I837	V805-I839 HydrophobicContact CB-CD1 3.88Å; V805-I839 HydrophobicContact CG1-CD1 4.4Å; V805-I839 HydrophobicContact CG2-CD1 4.47Å; V805-I839 CarbonylContact O-C 3.56Å; V805-I839 WeakPolarHBondContact O-CA 3.38Å; L807-I839 HydrophobicContact CD1-CG2 3.86Å; L807-I839 HydrophobicContact CD2-CG2 4.46Å; L807-I839 HydrophobicContact CG-CG2 3.78Å; E815-I839 HydrophobicContact CB-CG1 4.48Å; E815-I839 HydrophobicContact CG-CB 4.19Å; E815-I839 HydrophobicContact CG-CG1 3.84Å; A818-I839 HydrophobicContact CB-CD1 4.28Å; I837-I839 HydrophobicContact CG2-CD1 4.34Å
840	L	85.7	Confident	72.7	Confident	12 Å²	12	70.4 Å²	70.4	6%	0.063	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	150.8	-172.2	-57.8	178.8	0	0	0	111.3	C804 V805 V806 L838 E842 L843 F853 L872	C804-L840 HydrophobicContact CB-CD1 3.92Å; V805-L840 PolarHBondContact O-N 3.35Å; V806-L840 WeakPolarHBondContact CA-O 3.44Å; V806-L840 HydrophobicContact CG2-CB 4.44Å; L838-L840 HydrophobicContact CB-CD2 4.26Å; L838-L840 HydrophobicContact CB-CG 4.39Å; L840-E842 WeakPolarHBondContact CB-O 3.5Å; L840-L843 HydrophobicContact CD1-CD2 3.75Å; L840-L843 HydrophobicContact CD1-CG 4.39Å; L840-F853 HydrophobicContact CD1-CE2 4.05Å; L840-F853 HydrophobicContact CD1-CZ 4.36Å; L840-L872 HydrophobicContact CD2-CB 3.85Å
841	N	79.8	Confident	70.5	Confident	162 Å²	162	63.1 Å²	63.1	87%	0.866	32%	0.32	S	S	*	.	S	Bend	trans	-70.4	-38.1	174.7	-65.8	-29.9	0	0	0	111.8	V806	V806-N841 WeakPolarHBondContact CG1-O 3.49Å
842	E	78.3	Confident	68.6	Low	143 Å²	143	63.8 Å²	63.8	67%	0.668	32%	0.323	S	S	*	.			trans	-150.3	174.1	169.4	63.6	170.4	-172.1	0	0	110.7	L840	L840-E842 WeakPolarHBondContact CB-O 3.5Å
843	L	73.6	Confident	66.8	Low	4 Å²	4	61.9 Å²	61.9	2%	0.021	31%	0.311	C	S	.	.			trans	-115.2	139.5	171.6	-74.4	151.8	0	0	0	109.1	T786 C804 V806 L840 R845 V851 F853	T786-L843 HydrophobicContact CG2-CD1 3.65Å; C804-L843 HydrophobicContact CB-CD2 3.86Å; V806-L843 HydrophobicContact CG2-CB 4.44Å; V806-L843 HydrophobicContact CG2-CD1 3.73Å; V806-L843 HydrophobicContact CG2-CG 3.71Å; L840-L843 HydrophobicContact CD1-CD2 3.75Å; L840-L843 HydrophobicContact CD1-CG 4.39Å; L843-R845 PolarHBondContact O-N 2.84Å; L843-V851 HydrophobicContact CB-CG1 3.43Å; L843-V851 VanDerWaalsContact CB-CG1 3.43Å; L843-V851 HydrophobicContact CD1-CG1 4.17Å; L843-V851 HydrophobicContact CD2-CG1 4.42Å; L843-V851 HydrophobicContact CG-CG1 4.21Å; L843-F853 HydrophobicContact CD2-CD2 3.77Å; L843-F853 HydrophobicContact CD2-CE2 4.19Å; L843-F853 HydrophobicContact CD2-CG 4.21Å
844	P	61.5	Low	64.8	Low	27 Å²	27	59.2 Å²	59.2	18%	0.175	29%	0.294	C	S	.	.			trans	-58	122.7	177	23.2	-34	0	0	0	111.2	L852 F853 H856	P844-L852 PolarHBondContact O-N 3.06Å; P844-F853 HydrophobicContact CG-CD2 3.86Å; P844-H856 HydrophobicContact CG-CB 4.34Å
845	R	53.3	Low	62.4	Low	128 Å²	128	62.4 Å²	62.4	48%	0.483	31%	0.309	S	S	.	.	B	Isolated β-bridge	trans	-113.6	149.2	-178.4	-75.9	172.2	178.7	160.5	0.8	111.2	L843	L843-R845 PolarHBondContact O-N 2.84Å
846	G	46.4	Very low	60.1	Low	11 Å²	11	62.3 Å²	62.3	11%	0.113	31%	0.306	C	S	.	.			trans	-80.4	174.3	173.1	0	0	0	0	0	113.7	T848 R849 K850	G846-T848 PolarHBondContact O-N 3.14Å; G846-T848 VanDerWaalsContact O-N 3.09Å; G846-R849 WeakPolarHBondContact O-CA 3.39Å; G846-R849 PolarHBondContact O-N 2.83Å; G846-K850 PolarHBondContact N-O 3.41Å
847	T	35.1	Very low	57.9	Low	119 Å²	119	60.9 Å²	60.9	73%	0.73	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-28.4	169.8	50.8	0	0	0	0	112.7
848	T	35.3	Very low	55.6	Low	70 Å²	70	66 Å²	66	43%	0.429	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	9.2	176.3	48.4	0	0	0	0	114.1	T523 G846 K850	T523-T848 VanDerWaalsContact CA-OG1 3.28Å; T523-T848 WeakPolarHBondContact CA-OG1 3.38Å; T523-T848 WeakPolarHBondContact CB-OG1 3.44Å; T523-T848 WeakPolarHBondContact CG2-OG1 3.32Å; T523-T848 PolarHBondContact O-OG1 3.04Å; G846-T848 PolarHBondContact O-N 3.14Å; G846-T848 VanDerWaalsContact O-N 3.09Å; T848-K850 PolarHBondContact O-N 2.86Å
849	R	35.9	Very low	53.1	Low	209 Å²	209	76.3 Å²	76.3	79%	0.789	36%	0.362	S	S	*	.	S	Bend	trans	59.6	-6.1	-178.2	-63.2	-175.2	176	-173	-1.6	117.7	G846	G846-R849 WeakPolarHBondContact O-CA 3.39Å; G846-R849 PolarHBondContact O-N 2.83Å
850	K	40.2	Very low	50.6	Low	118 Å²	118	78.2 Å²	78.2	51%	0.513	38%	0.375	S	S	.	.			trans	-65.2	148.6	167.6	-57.8	-153.6	-175.2	-172.2	0	110.2	T523 G846 T848	T523-K850 HydrophobicContact CG2-CB 3.9Å; T523-K850 HydrophobicContact CG2-CD 3.86Å; T523-K850 HydrophobicContact CG2-CG 3.89Å; G846-K850 PolarHBondContact N-O 3.41Å; T848-K850 PolarHBondContact O-N 2.86Å
851	V	46.1	Very low	48.6	Very low	43 Å²	43	79.4 Å²	79.4	26%	0.261	38%	0.379	S	S	.	.	B	Isolated β-bridge	trans	-81.6	143.1	-174.2	-159.3	0	0	0	0	110.7	T786 L843	T786-V851 HydrophobicContact CG2-CG2 4.35Å; L843-V851 HydrophobicContact CB-CG1 3.43Å; L843-V851 VanDerWaalsContact CB-CG1 3.43Å; L843-V851 HydrophobicContact CD1-CG1 4.17Å; L843-V851 HydrophobicContact CD2-CG1 4.42Å; L843-V851 HydrophobicContact CG-CG1 4.21Å
852	L	49.2	Very low	46.7	Very low	32 Å²	32	81.9 Å²	81.9	17%	0.168	38%	0.382	C	S	.	.			trans	-115.2	15.4	-164.8	-60.1	179.8	0	0	0	115.4	H524 P844 S854 M855 H856	H524-L852 HydrophobicContact CB-CD2 4.47Å; H524-L852 VanDerWaalsContact CD2-CD1 3.45Å; H524-L852 WeakPolarHBondContact CD2-CD1 3.36Å; P844-L852 PolarHBondContact O-N 3.06Å; L852-S854 VanDerWaalsContact C-N 3.33Å; L852-S854 PolarHBondContact O-N 3.34Å; L852-S854 VanDerWaalsContact O-N 3.16Å; L852-M855 PolarHBondContact O-N 3.01Å; L852-H856 PolarHBondContact O-N 3.44Å; L852-H856 VanDerWaalsContact O-N 3.12Å
853	F	51.4	Low	45	Very low	1 Å²	1	78.1 Å²	78.1	0%	0.004	37%	0.366	C	S	.	.	H	α-helix	trans	-63.7	-32.6	-158.3	-155.1	-103.5	0	0	0	114.6	Q788 V790 C804 L840 L843 P844 H856 M857 L872	Q788-F853 HydrophobicContact CG-CB 4.32Å; V790-F853 HydrophobicContact CB-CD1 4.26Å; V790-F853 HydrophobicContact CG1-CB 4.1Å; V790-F853 HydrophobicContact CG1-CD1 3.71Å; V790-F853 HydrophobicContact CG1-CG 4.41Å; V790-F853 HydrophobicContact CG2-CD1 3.54Å; V790-F853 HydrophobicContact CG2-CE1 3.77Å; C804-F853 HydrophobicContact CB-CD1 4.47Å; C804-F853 HydrophobicContact CB-CE1 4.17Å; C804-F853 HydrophobicContact CB-CZ 4.28Å; C804-F853 WeakPolarHBondContact SG-CE1 3.4Å; C804-F853 WeakPolarHBondContact SG-CZ 3.4Å; L840-F853 HydrophobicContact CD1-CE2 4.05Å; L840-F853 HydrophobicContact CD1-CZ 4.36Å; L843-F853 HydrophobicContact CD2-CD2 3.77Å; L843-F853 HydrophobicContact CD2-CE2 4.19Å; L843-F853 HydrophobicContact CD2-CG 4.21Å; P844-F853 HydrophobicContact CG-CD2 3.86Å; F853-H856 PolarHBondContact O-N 3.02Å; F853-M857 HydrophobicContact CD1-CG 3.89Å; F853-M857 HydrophobicContact CE1-CE 3.71Å; F853-M857 HydrophobicContact CE1-CG 3.55Å; F853-M857 HydrophobicContact CE1-SD 4.06Å; F853-M857 HydrophobicContact CZ-CE 3.7Å; F853-M857 HydrophobicContact CZ-CG 3.96Å; F853-M857 HydrophobicContact CZ-SD 3.92Å; F853-M857 WeakPolarHBondContact O-CG 3.07Å; F853-M857 PolarHBondContact O-N 3.1Å; F853-L872 HydrophobicContact CE2-CD1 4.1Å; F853-L872 HydrophobicContact CE2-CD2 3.95Å; F853-L872 HydrophobicContact CZ-CD1 3.63Å; F853-L872 HydrophobicContact CZ-CD2 4.34Å
854	S	45.3	Very low	44	Very low	18 Å²	18	82.1 Å²	82.1	13%	0.126	39%	0.391	C	S	.	.	H	α-helix	trans	-61.1	-52.4	178.5	54.7	0	0	0	0	112.7	D760 L852 Q858	D760-S854 PolarHBondContact OD1-OG 3.03Å; L852-S854 VanDerWaalsContact C-N 3.33Å; L852-S854 PolarHBondContact O-N 3.34Å; L852-S854 VanDerWaalsContact O-N 3.16Å; S854-Q858 WeakPolarHBondContact O-CB 3.21Å; S854-Q858 WeakPolarHBondContact O-CG 3.35Å; S854-Q858 PolarHBondContact O-N 3.08Å; S854-Q858 VanDerWaalsContact O-N 3.1Å
855	M	40.5	Very low	43.4	Very low	90 Å²	90	83.5 Å²	83.5	44%	0.443	39%	0.394	S	S	.	.	H	α-helix	trans	-69	-36	176.6	-75.7	-172.4	71.9	0	0	112.9	L852 M857 Q858 W859	L852-M855 PolarHBondContact O-N 3.01Å; M855-M857 PolarHBondContact O-N 2.68Å; M855-Q858 PolarHBondContact O-N 2.73Å; M855-W859 WeakPolarHBondContact O-CB 3.42Å; M855-W859 PolarHBondContact O-N 3.35Å
856	H	43.4	Very low	43.4	Very low	49 Å²	49	87 Å²	87	23%	0.227	41%	0.408	C	S	.	.	H	α-helix	trans	-68	-36.7	-177.5	-151.1	72.2	0	0	0	112	P844 L852 F853 T860	P844-H856 HydrophobicContact CG-CB 4.34Å; L852-H856 PolarHBondContact O-N 3.44Å; L852-H856 VanDerWaalsContact O-N 3.12Å; F853-H856 PolarHBondContact O-N 3.02Å; H856-T860 WeakPolarHBondContact O-CB 3.3Å; H856-T860 PolarHBondContact O-N 3.45Å; H856-T860 PolarHBondContact O-OG1 3.3Å
857	M	45	Very low	43.7	Very low	7 Å²	7	90.6 Å²	90.6	3%	0.034	42%	0.421	C	S	.	.	H	α-helix	trans	-65.9	-54.2	168.4	-69.3	-60.8	-121.4	0	0	111.2	L792 F853 M855 W859 T860 Y861 A868 L872	L792-M857 HydrophobicContact CD1-CE 4.34Å; L792-M857 HydrophobicContact CD2-CB 4.23Å; L792-M857 HydrophobicContact CD2-CE 3.53Å; L792-M857 HydrophobicContact CD2-CG 4.03Å; L792-M857 HydrophobicContact CD2-SD 4.44Å; F853-M857 HydrophobicContact CD1-CG 3.89Å; F853-M857 HydrophobicContact CE1-CE 3.71Å; F853-M857 HydrophobicContact CE1-CG 3.55Å; F853-M857 HydrophobicContact CE1-SD 4.06Å; F853-M857 HydrophobicContact CZ-CE 3.7Å; F853-M857 HydrophobicContact CZ-CG 3.96Å; F853-M857 HydrophobicContact CZ-SD 3.92Å; F853-M857 WeakPolarHBondContact O-CG 3.07Å; F853-M857 PolarHBondContact O-N 3.1Å; M855-M857 PolarHBondContact O-N 2.68Å; M857-W859 PolarHBondContact O-N 3.34Å; M857-T860 PolarHBondContact O-N 3.45Å; M857-Y861 WeakPolarHBondContact O-CA 3.38Å; M857-Y861 WeakPolarHBondContact O-CB 3.31Å; M857-Y861 PolarHBondContact O-N 3.44Å; M857-Y861 HydrophobicContact SD-CD2 4.03Å; M857-Y861 HydrophobicContact SD-CE2 4.49Å; M857-Y861 HydrophobicContact SD-CG 4.36Å; M857-A868 HydrophobicContact CE-CB 3.71Å; M857-A868 HydrophobicContact SD-CB 4.37Å; M857-L872 HydrophobicContact CE-CD1 3.75Å; M857-L872 HydrophobicContact SD-CD1 4.15Å
858	Q	43.2	Very low	44.3	Very low	118 Å²	118	85 Å²	85	55%	0.551	39%	0.388	S	S	*	.	H	α-helix	trans	-60.6	-38.1	-174.5	-74.4	179	-9.4	0	0	114.5	S854 M855	S854-Q858 WeakPolarHBondContact O-CB 3.21Å; S854-Q858 WeakPolarHBondContact O-CG 3.35Å; S854-Q858 PolarHBondContact O-N 3.08Å; S854-Q858 VanDerWaalsContact O-N 3.1Å; M855-Q858 PolarHBondContact O-N 2.73Å
859	W	36.1	Very low	45.2	Very low	218 Å²	218	84 Å²	84	83%	0.826	38%	0.378	S	S	*	.	H	α-helix	trans	-79.2	-32.2	179.6	-97.4	62.6	0	0	0	113.9	M855 M857	M855-W859 WeakPolarHBondContact O-CB 3.42Å; M855-W859 PolarHBondContact O-N 3.35Å; M857-W859 PolarHBondContact O-N 3.34Å
860	T	37.6	Very low	46.2	Very low	64 Å²	64	76.2 Å²	76.2	39%	0.393	36%	0.359	S	S	.	.	H	α-helix	trans	-105.6	-13	-170.7	-49.9	0	0	0	0	113.1	H856 M857	H856-T860 WeakPolarHBondContact O-CB 3.3Å; H856-T860 PolarHBondContact O-N 3.45Å; H856-T860 PolarHBondContact O-OG1 3.3Å; M857-T860 PolarHBondContact O-N 3.45Å
861	Y	43.3	Very low	46.6	Very low	37 Å²	37	76.5 Å²	76.5	15%	0.145	36%	0.356	C	S	.	.			trans	-137.3	78.2	-170.9	-58.8	-95.9	0	0	0	113.4	M857 L863 A868 R871	M857-Y861 WeakPolarHBondContact O-CA 3.38Å; M857-Y861 WeakPolarHBondContact O-CB 3.31Å; M857-Y861 PolarHBondContact O-N 3.44Å; M857-Y861 HydrophobicContact SD-CD2 4.03Å; M857-Y861 HydrophobicContact SD-CE2 4.49Å; M857-Y861 HydrophobicContact SD-CG 4.36Å; Y861-L863 HydrophobicContact CD1-CB 4.13Å; Y861-L863 HydrophobicContact CD1-CD1 3.68Å; Y861-L863 HydrophobicContact CD1-CG 4.44Å; Y861-L863 HydrophobicContact CE1-CD1 4.25Å; Y861-L863 HydrophobicContact CG-CD1 4.42Å; Y861-L863 PolarHBondContact O-N 3.41Å; Y861-A868 HydrophobicContact CD1-CB 4.03Å; Y861-A868 HydrophobicContact CE1-CB 4.46Å; Y861-R871 HydrophobicContact CE1-CB 3.91Å; Y861-R871 VanDerWaalsContact CE1-CD 3.43Å; Y861-R871 HydrophobicContact CE1-CG 4.35Å; Y861-R871 WeakPolarHBondContact OH-CB 3.46Å
862	K	40.8	Very low	46.7	Very low	213 Å²	213	76.2 Å²	76.2	93%	0.926	35%	0.353	S	S	*	.			trans	-74.5	49.7	145.7	-77.1	-167.2	175.1	-175.1	0	110.1
863	L	41.9	Very low	46.8	Very low	64 Å²	64	79.5 Å²	79.5	34%	0.335	37%	0.366	S	S	.	.	S	Bend	trans	-130.4	150.5	-167	-67.7	171.4	0	0	0	109.7	Y861 E867	Y861-L863 HydrophobicContact CD1-CB 4.13Å; Y861-L863 HydrophobicContact CD1-CD1 3.68Å; Y861-L863 HydrophobicContact CD1-CG 4.44Å; Y861-L863 HydrophobicContact CE1-CD1 4.25Å; Y861-L863 HydrophobicContact CG-CD1 4.42Å; Y861-L863 PolarHBondContact O-N 3.41Å; L863-E867 HydrophobicContact CB-CB 3.96Å
864	T	51.8	Low	46.6	Very low	88 Å²	88	91.2 Å²	91.2	54%	0.54	41%	0.411	S	S	.	.			trans	-68.2	157.3	-177.4	65.9	0	0	0	0	111.1	R866 E867 A868	T864-R866 PolarHBondContact O-N 3.01Å; T864-E867 WeakPolarHBondContact CB-OE2 3.36Å; T864-E867 PolarHBondContact N-OE2 3.4Å; T864-E867 WeakPolarHBondContact O-CB 3.49Å; T864-E867 PolarHBondContact O-N 3.11Å; T864-E867 PolarHBondContact OG1-OE2 3.43Å; T864-A868 PolarHBondContact O-N 3.44Å
865	F	50	Low	46.6	Very low	56 Å²	56	94.9 Å²	94.9	25%	0.246	43%	0.425	C	S	.	.	H	α-helix	trans	-46.6	-41.9	-177.9	171	-104.9	0	0	0	113.8	L792 H836 L838 E867 A868 E869	L792-F865 HydrophobicContact CD1-CD2 3.95Å; H836-F865 HydrophobicContact CB-CD2 3.95Å; H836-F865 HydrophobicContact CB-CE2 3.52Å; H836-F865 HydrophobicContact CB-CZ 4.08Å; H836-F865 AromaticContact CD2-CD2 3.66Å; H836-F865 AromaticContact CE1-CD1 3.88Å; H836-F865 AromaticContact CE1-CD2 3.91Å; H836-F865 AromaticContact CE1-CG 3.62Å; H836-F865 AromaticContact CG-CD2 3.47Å; H836-F865 VanDerWaalsContact CG-CD2 3.47Å; H836-F865 AromaticContact CG-CE2 3.52Å; H836-F865 AromaticContact CG-CG 3.99Å; H836-F865 AromaticContact ND1-CD1 3.82Å; H836-F865 AromaticContact ND1-CD2 3.65Å; H836-F865 AromaticContact ND1-CE1 3.9Å; H836-F865 AromaticContact ND1-CE2 3.74Å; H836-F865 AromaticContact ND1-CG 3.7Å; H836-F865 AromaticContact ND1-CZ 3.86Å; H836-F865 AromaticContact NE2-CD2 3.92Å; H836-F865 AromaticContact NE2-CG 3.85Å; L838-F865 HydrophobicContact CD1-CE2 4.41Å; L838-F865 HydrophobicContact CD2-CE2 3.79Å; L838-F865 HydrophobicContact CD2-CZ 3.79Å; L838-F865 HydrophobicContact CG-CE2 4.15Å; F865-E867 VanDerWaalsContact C-N 3.32Å; F865-E867 PolarHBondContact O-N 2.97Å; F865-A868 PolarHBondContact O-N 3.02Å; F865-E869 PolarHBondContact O-N 3.43Å
866	R	52.9	Low	47	Very low	203 Å²	203	95.2 Å²	95.2	77%	0.766	42%	0.424	S	S	*	.	H	α-helix	trans	-62.3	-35.8	179.1	-70.3	-177.5	173.8	-178.8	-1.9	113.4	T864 A870	T864-R866 PolarHBondContact O-N 3.01Å; R866-A870 WeakPolarHBondContact O-CB 3.02Å; R866-A870 PolarHBondContact O-N 3.23Å
867	E	51.8	Low	47.2	Very low	85 Å²	85	97.7 Å²	97.7	40%	0.397	44%	0.435	S	S	.	.	H	α-helix	trans	-78.6	-30.9	-178	-64.9	166.9	109	0	0	111.6	L863 T864 F865 R871	L863-E867 HydrophobicContact CB-CB 3.96Å; T864-E867 WeakPolarHBondContact CB-OE2 3.36Å; T864-E867 PolarHBondContact N-OE2 3.4Å; T864-E867 WeakPolarHBondContact O-CB 3.49Å; T864-E867 PolarHBondContact O-N 3.11Å; T864-E867 PolarHBondContact OG1-OE2 3.43Å; F865-E867 VanDerWaalsContact C-N 3.32Å; F865-E867 PolarHBondContact O-N 2.97Å; E867-R871 WeakPolarHBondContact O-CB 3.48Å; E867-R871 PolarHBondContact O-N 3.22Å
868	A	49.3	Very low	47.3	Very low	3 Å²	3	103.1 Å²	103.1	3%	0.025	46%	0.458	C	S	.	.	H	α-helix	trans	-69.1	-49.3	170.1	0	0	0	0	0	111.1	M857 Y861 T864 F865 A870 R871 L872	M857-A868 HydrophobicContact CE-CB 3.71Å; M857-A868 HydrophobicContact SD-CB 4.37Å; Y861-A868 HydrophobicContact CD1-CB 4.03Å; Y861-A868 HydrophobicContact CE1-CB 4.46Å; T864-A868 PolarHBondContact O-N 3.44Å; F865-A868 PolarHBondContact O-N 3.02Å; A868-A870 PolarHBondContact O-N 3.18Å; A868-R871 PolarHBondContact O-N 3.38Å; A868-L872 WeakPolarHBondContact O-CB 3.43Å; A868-L872 WeakPolarHBondContact O-CG 3.33Å; A868-L872 PolarHBondContact O-N 2.98Å
869	E	53.1	Low	47.5	Very low	47 Å²	47	102.1 Å²	102.1	22%	0.22	45%	0.453	C	S	.	.	H	α-helix	trans	-56.1	-48.6	173.7	-179	175.6	-165	0	0	111.3	L838 F865 R871 L872 K873	L838-E869 HydrophobicContact CD2-CB 3.97Å; L838-E869 HydrophobicContact CD2-CG 3.88Å; F865-E869 PolarHBondContact O-N 3.43Å; E869-R871 PolarHBondContact O-N 3.15Å; E869-R871 VanDerWaalsContact O-N 3.15Å; E869-L872 PolarHBondContact O-N 3.4Å; E869-K873 HydrophobicContact CG-CD 3.97Å; E869-K873 HydrophobicContact CG-CG 4.45Å; E869-K873 PolarHBondContact O-N 3.14Å; E869-K873 WeakPolarHBondContact OE1-CE 3.18Å; E869-K873 IonicContact OE1-NZ 2.63Å; E869-K873 PolarHBondContact OE1-NZ 2.98Å
870	A	56.6	Low	48.3	Very low	47 Å²	47	94.4 Å²	94.4	39%	0.388	43%	0.428	S	S	.	.	H	α-helix	trans	-72.1	-3.8	-177.5	0	0	0	0	0	115.1	R866 A868 R874	R866-A870 WeakPolarHBondContact O-CB 3.02Å; R866-A870 PolarHBondContact O-N 3.23Å; A868-A870 PolarHBondContact O-N 3.18Å; A870-R874 PolarHBondContact O-NE 2.95Å; A870-R874 PolarHBondContact O-NH2 2.88Å
871	R	49.7	Very low	49.1	Very low	123 Å²	123	96.6 Å²	96.6	46%	0.464	43%	0.43	S	S	.	.	H	α-helix	trans	-110.4	-20.4	169.4	-86.9	174.4	160.4	-170.2	0.6	113.4	Y861 E867 A868 E869	Y861-R871 HydrophobicContact CE1-CB 3.91Å; Y861-R871 VanDerWaalsContact CE1-CD 3.43Å; Y861-R871 HydrophobicContact CE1-CG 4.35Å; Y861-R871 WeakPolarHBondContact OH-CB 3.46Å; E867-R871 WeakPolarHBondContact O-CB 3.48Å; E867-R871 PolarHBondContact O-N 3.22Å; A868-R871 PolarHBondContact O-N 3.38Å; E869-R871 PolarHBondContact O-N 3.15Å; E869-R871 VanDerWaalsContact O-N 3.15Å
872	L	47.2	Very low	49.5	Very low	38 Å²	38	101.2 Å²	101.2	20%	0.199	45%	0.452	C	S	.	.	H	α-helix	trans	-86.2	-18.9	173.2	-74.4	165.2	0	0	0	113.2	L838 L840 F853 M857 A868 E869	L838-L872 HydrophobicContact CD1-CD1 3.83Å; L840-L872 HydrophobicContact CD2-CB 3.85Å; F853-L872 HydrophobicContact CE2-CD1 4.1Å; F853-L872 HydrophobicContact CE2-CD2 3.95Å; F853-L872 HydrophobicContact CZ-CD1 3.63Å; F853-L872 HydrophobicContact CZ-CD2 4.34Å; M857-L872 HydrophobicContact CE-CD1 3.75Å; M857-L872 HydrophobicContact SD-CD1 4.15Å; A868-L872 WeakPolarHBondContact O-CB 3.43Å; A868-L872 WeakPolarHBondContact O-CG 3.33Å; A868-L872 PolarHBondContact O-N 2.98Å; E869-L872 PolarHBondContact O-N 3.4Å
873	K	51.8	Low	50.3	Low	101 Å²	101	91.8 Å²	91.8	44%	0.439	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	17.3	167.3	-71.2	-176.6	167.5	173.9	0	113	E815 E869	E815-K873 IonicContact OE1-NZ 2.78Å; E815-K873 PolarHBondContact OE1-NZ 3.2Å; E815-K873 IonicContact OE2-NZ 3.09Å; E815-K873 PolarHBondContact OE2-NZ 3.23Å; E869-K873 HydrophobicContact CG-CD 3.97Å; E869-K873 HydrophobicContact CG-CG 4.45Å; E869-K873 PolarHBondContact O-N 3.14Å; E869-K873 WeakPolarHBondContact OE1-CE 3.18Å; E869-K873 IonicContact OE1-NZ 2.63Å; E869-K873 PolarHBondContact OE1-NZ 2.98Å
874	R	47	Very low	51	Low	247 Å²	247	94.4 Å²	94.4	93%	0.932	42%	0.42	S	S	*	.			trans	-127.2	0	173.5	-61.3	-172.1	-144	-164.7	3.5	110.1	A870	A870-R874 PolarHBondContact O-NE 2.95Å; A870-R874 PolarHBondContact O-NH2 2.88Å

Retrieved 874 of 874 residues in 1665.1 ms (Link to these results)

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