A0A087XK85_POEFO Loading...

ADAM metallopeptidase with thrombospondin type 1 motif 14

AlphaFold DB , UniProt , Accession A0A087XK85, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,225 aa.

						>A0A087XK85_POEFO|A0A087XK85
MDCLYLLMCFSLCQVCMDQILAAESEEKLSGKLSEYGLMVPFSTDSHGRYISHVVSAGSGSKSAAADENLSAPGSRRRMARSAPQTPSVTSSMGQHLFFNVTLFGKELHLRLKANRRLVAPGAFVEWQEDFEEKAKERIHRDCVFTGDVTDMPEASVAISNCDGLAGLIRTDNGEFFIEPLEKGQQDVEVKGRVHVVYRRSAIKRETGQRKEDLHNEVADVGIADLPAALDLVEHKLSESERKRRHAKKDDYNIEVLLAVDDSVIRFHGKEHVQNYVLTLMNIVDEIYHDESLGTNINIVLVRMIMVGYRQSVSLIERGNPSRSLEQVCRWANTQQRRDPEHAEYHDHAIFLTRQDFGPAGMQGYAPVTGMCHPLRSCTLNHEDGFSSAFVVAHETGHVLGMEHDGQGNRCADETSMGSIMAPLVQAAFHRYHWSRCSKQELNRYIHSYDCLLDDPFEHKWPKLPELPGINYSMDEQCRFDFGVGYKMCTAFRTYDPCKQLWCSHPDNQYFCKTKKGPPVDGTECAPGKWCFKGHCIWKSSQELQGHDGNWGSWSKYGSCSRTCGGGVRSRSRQCNDPPPAYGGRDCPGSAFDYQMCNTEECAGHYEDFRAQQCVQRSNKYHNNIKHTWLPYEHPDEARKCELSCKSKETGEVVFMNQVMHDGTRCSYSDPFSVCARGECLHVGCDKEVGSYKDEDKCGVCEGDNSHCRTVKLTLTKTPKKNGMLKMFDIPMGARHIIIEENNTSPHIIAVKNQVTEHFILNEKSEDAESKTFIENGLQWEYSVDGGRETLKTTGPLHEGIVVLVIPLEEDVKISLTYKYIIHEDLLPLITNNNVLLAELDTYEWALKSWSQCSKPCGGGIQYTKYGCRRKSDGRLVHRNFCETSKKPKPIRKRCNVQECSQPAWVVEDWSPCSKTCGKLGYQTRVVQCMQSLYNGTSRAVHSKHCTGDRPEMRRVCNYTACPAQWRTGAWSQCSVTCGEGIQQRQVACKASDSAVTECEGEKPETVLICKLSPCSDNSTMMDDAVFHGASESPFQKLSSNEPCLGDKSIFCQMEVLARYCSIPGYYKLCCESCNKKESHTAHVPDSSSKTEPETSTPSHSASAKASWLATTTPSLQQTTKAMRRRLFSTIPAPTTAAAAKIPPPTDAALSPHPTIDSLPNEERRDSHVDTRLPPGPPRPKQDSSGGVSKEHNPMSTLGPVAARSRRDNLGSERDSSHRTLLAHQ
					

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(Predicted Aligned Error values between residue pairs)

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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	49.8	Very low	54	Low	187 Å²	187	118.6 Å²	118.6	92%	0.921	61%	0.614	S	S	*	*				0	-9.3	0	-82.4	-60.5	-157.9	0	0	112.4	C3 L4 Y5	M1-C3 PolarHBondContact O-N 3.4Å; M1-L4 PolarHBondContact O-N 3.16Å; M1-Y5 PolarHBondContact O-N 3.26Å
2	D	47.8	Very low	53.9	Low	124 Å²	124	117.7 Å²	117.7	66%	0.663	61%	0.61	S	S	*	*	H	α-helix	trans	-85.1	-28.3	-145.2	-45.3	-89.4	0	0	0	111.6	L4 Y5 L6	D2-L4 VanDerWaalsContact C-N 3.33Å; D2-L4 PolarHBondContact O-N 3.07Å; D2-Y5 PolarHBondContact O-N 3.19Å; D2-L6 WeakPolarHBondContact O-CB 2.82Å; D2-L6 PolarHBondContact O-N 3.29Å
3	C	45.6	Very low	53.9	Low	97 Å²	97	115 Å²	115	66%	0.655	61%	0.606	S	S	*	*	H	α-helix	trans	-61.9	-35	169.1	-77.4	0	0	0	0	113.3	M1 L7	M1-C3 PolarHBondContact O-N 3.4Å; C3-L7 WeakPolarHBondContact O-CB 3.36Å; C3-L7 VanDerWaalsContact O-CG 3.28Å; C3-L7 WeakPolarHBondContact O-CG 3.19Å; C3-L7 PolarHBondContact O-N 2.68Å
4	L	54.8	Low	53.9	Low	122 Å²	122	115.1 Å²	115.1	64%	0.639	60%	0.602	S	S	*	*	H	α-helix	trans	-70.9	-36.9	175.8	-90.2	159.9	0	0	0	111.2	M1 D2 M8	M1-L4 PolarHBondContact O-N 3.16Å; D2-L4 VanDerWaalsContact C-N 3.33Å; D2-L4 PolarHBondContact O-N 3.07Å; L4-M8 WeakPolarHBondContact O-CB 3.24Å; L4-M8 VanDerWaalsContact O-CG 3.25Å; L4-M8 WeakPolarHBondContact O-CG 3.21Å; L4-M8 PolarHBondContact O-N 3.35Å
5	Y	55.8	Low	53.9	Low	175 Å²	175	112.7 Å²	112.7	69%	0.686	59%	0.593	S	S	*	*	H	α-helix	trans	-67.8	-42.5	174.3	-137.1	-85.6	0	0	0	111.5	M1 D2 M8 C9	M1-Y5 PolarHBondContact O-N 3.26Å; D2-Y5 PolarHBondContact O-N 3.19Å; Y5-M8 PolarHBondContact O-N 3.22Å; Y5-C9 WeakPolarHBondContact O-CB 3.37Å; Y5-C9 PolarHBondContact O-N 3.07Å; Y5-C9 PolarHBondContact O-SG 2.97Å; Y5-C9 VanDerWaalsContact O-SG 3.4Å
6	L	55.7	Low	53.8	Low	105 Å²	105	109.6 Å²	109.6	55%	0.55	58%	0.583	S	S	.	*	H	α-helix	trans	-62.5	-42.2	173.9	-91.9	159.4	0	0	0	112.7	D2 C9 F10	D2-L6 WeakPolarHBondContact O-CB 2.82Å; D2-L6 PolarHBondContact O-N 3.29Å; L6-C9 PolarHBondContact O-N 2.52Å; L6-F10 WeakPolarHBondContact O-CB 3.04Å; L6-F10 PolarHBondContact O-N 3.49Å
7	L	56.5	Low	53.7	Low	111 Å²	111	110.8 Å²	110.8	58%	0.581	59%	0.586	S	S	*	*	H	α-helix	trans	-68	-38	176.7	-77	165.8	0	0	0	112.5	C3 S11	C3-L7 WeakPolarHBondContact O-CB 3.36Å; C3-L7 VanDerWaalsContact O-CG 3.28Å; C3-L7 WeakPolarHBondContact O-CG 3.19Å; C3-L7 PolarHBondContact O-N 2.68Å; L7-S11 WeakPolarHBondContact O-CB 3.07Å; L7-S11 PolarHBondContact O-N 2.78Å; L7-S11 PolarHBondContact O-OG 2.87Å
8	M	58.5	Low	53.3	Low	121 Å²	121	109.9 Å²	109.9	60%	0.596	58%	0.582	S	S	*	*	H	α-helix	trans	-64.6	-45.7	171.9	-74.3	-73.1	-73.8	0	0	111.2	L4 Y5 S11 L12	L4-M8 WeakPolarHBondContact O-CB 3.24Å; L4-M8 VanDerWaalsContact O-CG 3.25Å; L4-M8 WeakPolarHBondContact O-CG 3.21Å; L4-M8 PolarHBondContact O-N 3.35Å; Y5-M8 PolarHBondContact O-N 3.22Å; M8-S11 PolarHBondContact O-N 2.04Å; M8-L12 WeakPolarHBondContact O-CB 3.42Å; M8-L12 VanDerWaalsContact O-CG 3.29Å; M8-L12 WeakPolarHBondContact O-CG 3.37Å; M8-L12 PolarHBondContact O-N 3.19Å
9	C	58	Low	53.1	Low	56 Å²	56	110.8 Å²	110.8	38%	0.378	58%	0.583	S	S	.	*	H	α-helix	trans	-63.8	-39.8	175.2	-75.2	0	0	0	0	112.5	Y5 L6 L12 C13	Y5-C9 WeakPolarHBondContact O-CB 3.37Å; Y5-C9 PolarHBondContact O-N 3.07Å; Y5-C9 PolarHBondContact O-SG 2.97Å; Y5-C9 VanDerWaalsContact O-SG 3.4Å; L6-C9 PolarHBondContact O-N 2.52Å; C9-L12 PolarHBondContact O-N 3.21Å; C9-C13 VanDerWaalsContact O-CB 3.25Å; C9-C13 WeakPolarHBondContact O-CB 3.49Å; C9-C13 PolarHBondContact O-N 2.82Å; C9-C13 PolarHBondContact O-SG 3.23Å; C9-C13 VanDerWaalsContact O-SG 3.35Å
10	F	57	Low	53	Low	138 Å²	138	110.6 Å²	110.6	61%	0.605	58%	0.581	S	S	*	*	H	α-helix	trans	-65.5	-45	174.5	-105	-89.5	0	0	0	111.7	L6 L12 C13 Q14	L6-F10 WeakPolarHBondContact O-CB 3.04Å; L6-F10 PolarHBondContact O-N 3.49Å; F10-L12 VanDerWaalsContact C-N 3.33Å; F10-L12 PolarHBondContact O-N 2.9Å; F10-C13 PolarHBondContact O-N 3.35Å; F10-Q14 WeakPolarHBondContact O-CB 3.47Å; F10-Q14 PolarHBondContact O-N 2.02Å
11	S	54.1	Low	52.6	Low	69 Å²	69	110.2 Å²	110.2	48%	0.483	58%	0.579	S	S	.	*	H	α-helix	trans	-63.5	-38.9	177.3	-55.4	0	0	0	0	111.8	L7 M8 V15	L7-S11 WeakPolarHBondContact O-CB 3.07Å; L7-S11 PolarHBondContact O-N 2.78Å; L7-S11 PolarHBondContact O-OG 2.87Å; M8-S11 PolarHBondContact O-N 2.04Å; S11-V15 WeakPolarHBondContact O-CB 3.04Å; S11-V15 VanDerWaalsContact O-CG2 3.29Å; S11-V15 WeakPolarHBondContact O-CG2 3.38Å; S11-V15 PolarHBondContact O-N 3.44Å
12	L	53.8	Low	52.2	Low	107 Å²	107	103.3 Å²	103.3	56%	0.56	55%	0.552	S	S	*	*	H	α-helix	trans	-69.8	-42.8	175.1	-73.7	165.9	0	0	0	112.3	M8 C9 F10 Q14 C16	M8-L12 WeakPolarHBondContact O-CB 3.42Å; M8-L12 VanDerWaalsContact O-CG 3.29Å; M8-L12 WeakPolarHBondContact O-CG 3.37Å; M8-L12 PolarHBondContact O-N 3.19Å; C9-L12 PolarHBondContact O-N 3.21Å; F10-L12 VanDerWaalsContact C-N 3.33Å; F10-L12 PolarHBondContact O-N 2.9Å; L12-Q14 VanDerWaalsContact C-N 3.3Å; L12-Q14 PolarHBondContact O-N 3.44Å; L12-C16 VanDerWaalsContact O-CB 3.31Å; L12-C16 WeakPolarHBondContact O-CB 3.33Å; L12-C16 PolarHBondContact O-N 2.86Å; L12-C16 PolarHBondContact O-SG 2.85Å; L12-C16 VanDerWaalsContact O-SG 3.38Å
13	C	53.8	Low	51.8	Low	83 Å²	83	99.6 Å²	99.6	56%	0.561	54%	0.538	S	S	*	.	H	α-helix	trans	-66.3	-32	174.4	-76.8	0	0	0	0	112.5	C9 F10 M17	C9-C13 VanDerWaalsContact O-CB 3.25Å; C9-C13 WeakPolarHBondContact O-CB 3.49Å; C9-C13 PolarHBondContact O-N 2.82Å; C9-C13 PolarHBondContact O-SG 3.23Å; C9-C13 VanDerWaalsContact O-SG 3.35Å; F10-C13 PolarHBondContact O-N 3.35Å; C13-M17 WeakPolarHBondContact O-CB 3.07Å; C13-M17 PolarHBondContact O-N 2.89Å
14	Q	52.8	Low	51.5	Low	117 Å²	117	99.2 Å²	99.2	55%	0.547	53%	0.527	S	S	.	.	H	α-helix	trans	-76.9	-42	178	-168.4	163.9	-4.8	0	0	111.1	F10 L12 C16 M17 D18	F10-Q14 WeakPolarHBondContact O-CB 3.47Å; F10-Q14 PolarHBondContact O-N 2.02Å; L12-Q14 VanDerWaalsContact C-N 3.3Å; L12-Q14 PolarHBondContact O-N 3.44Å; Q14-C16 VanDerWaalsContact C-N 3.31Å; Q14-C16 PolarHBondContact O-N 3Å; Q14-M17 PolarHBondContact O-N 3.35Å; Q14-D18 WeakPolarHBondContact O-CB 3.46Å; Q14-D18 VanDerWaalsContact O-CG 3.3Å; Q14-D18 PolarHBondContact O-N 3.48Å
15	V	55.2	Low	50.8	Low	78 Å²	78	96.7 Å²	96.7	47%	0.473	52%	0.519	S	S	.	.	H	α-helix	trans	-61.5	-38.8	168.5	170	0	0	0	0	111.4	S11 Q19	S11-V15 WeakPolarHBondContact O-CB 3.04Å; S11-V15 VanDerWaalsContact O-CG2 3.29Å; S11-V15 WeakPolarHBondContact O-CG2 3.38Å; S11-V15 PolarHBondContact O-N 3.44Å; V15-Q19 VanDerWaalsContact O-CB 3.28Å; V15-Q19 WeakPolarHBondContact O-CB 3.39Å; V15-Q19 VanDerWaalsContact O-CG 3.27Å; V15-Q19 WeakPolarHBondContact O-CG 3.25Å; V15-Q19 PolarHBondContact O-N 2.79Å
16	C	51.1	Low	49.9	Very low	64 Å²	64	94.9 Å²	94.9	43%	0.432	52%	0.517	S	S	.	.	H	α-helix	trans	-66.7	-39.5	171.9	-78.3	0	0	0	0	112.7	L12 Q14 Q19 I20	L12-C16 VanDerWaalsContact O-CB 3.31Å; L12-C16 WeakPolarHBondContact O-CB 3.33Å; L12-C16 PolarHBondContact O-N 2.86Å; L12-C16 PolarHBondContact O-SG 2.85Å; L12-C16 VanDerWaalsContact O-SG 3.38Å; Q14-C16 VanDerWaalsContact C-N 3.31Å; Q14-C16 PolarHBondContact O-N 3Å; C16-Q19 PolarHBondContact O-N 3.16Å; C16-I20 VanDerWaalsContact O-CB 3.3Å; C16-I20 WeakPolarHBondContact O-CB 3.44Å; C16-I20 WeakPolarHBondContact O-CD1 3.39Å; C16-I20 WeakPolarHBondContact O-CG1 3.23Å; C16-I20 PolarHBondContact O-N 3.22Å
17	M	52.2	Low	49.2	Very low	129 Å²	129	97 Å²	97	64%	0.635	52%	0.524	S	S	*	.	H	α-helix	trans	-68.5	-39.7	175.4	-88.7	-161.2	171.3	0	0	112	C13 Q14 Q19 I20 L21	C13-M17 WeakPolarHBondContact O-CB 3.07Å; C13-M17 PolarHBondContact O-N 2.89Å; Q14-M17 PolarHBondContact O-N 3.35Å; M17-Q19 VanDerWaalsContact C-N 3.32Å; M17-I20 PolarHBondContact O-N 2.86Å; M17-L21 VanDerWaalsContact O-CB 3.25Å; M17-L21 WeakPolarHBondContact O-CB 3.46Å; M17-L21 WeakPolarHBondContact O-CG 3.48Å; M17-L21 PolarHBondContact O-N 2.83Å
18	D	47.4	Very low	48.2	Very low	95 Å²	95	98 Å²	98	51%	0.508	52%	0.524	S	S	.	.	H	α-helix	trans	-67.6	-34.2	175	-68.4	-28.3	0	0	0	110.6	Q14 A22	Q14-D18 WeakPolarHBondContact O-CB 3.46Å; Q14-D18 VanDerWaalsContact O-CG 3.3Å; Q14-D18 PolarHBondContact O-N 3.48Å; D18-A22 WeakPolarHBondContact O-CB 3.37Å; D18-A22 PolarHBondContact O-N 3.45Å
19	Q	48.5	Very low	47.1	Very low	128 Å²	128	97.6 Å²	97.6	60%	0.598	52%	0.523	S	S	*	.	H	α-helix	trans	-70.5	-35.7	170	-77.6	-180	-9.6	0	0	113.3	V15 C16 M17 A23	V15-Q19 VanDerWaalsContact O-CB 3.28Å; V15-Q19 WeakPolarHBondContact O-CB 3.39Å; V15-Q19 VanDerWaalsContact O-CG 3.27Å; V15-Q19 WeakPolarHBondContact O-CG 3.25Å; V15-Q19 PolarHBondContact O-N 2.79Å; C16-Q19 PolarHBondContact O-N 3.16Å; M17-Q19 VanDerWaalsContact C-N 3.32Å; Q19-A23 WeakPolarHBondContact O-CB 3.36Å; Q19-A23 PolarHBondContact O-N 3.47Å
20	I	51.3	Low	46.2	Very low	105 Å²	105	98.4 Å²	98.4	54%	0.538	53%	0.53	S	S	.	.	H	α-helix	trans	-75.9	-34.6	177.1	-71.9	163.2	0	0	0	111.1	C16 M17 A23 E24	C16-I20 VanDerWaalsContact O-CB 3.3Å; C16-I20 WeakPolarHBondContact O-CB 3.44Å; C16-I20 WeakPolarHBondContact O-CD1 3.39Å; C16-I20 WeakPolarHBondContact O-CG1 3.23Å; C16-I20 PolarHBondContact O-N 3.22Å; M17-I20 PolarHBondContact O-N 2.86Å; I20-A23 PolarHBondContact O-N 3.42Å; I20-E24 WeakPolarHBondContact O-CB 3.25Å; I20-E24 PolarHBondContact O-N 2.91Å
21	L	45	Very low	45.5	Very low	103 Å²	103	93.7 Å²	93.7	54%	0.539	52%	0.52	S	S	.	.	H	α-helix	trans	-74.5	-37	172.8	-75.9	168.6	0	0	0	111.4	M17 S25	M17-L21 VanDerWaalsContact O-CB 3.25Å; M17-L21 WeakPolarHBondContact O-CB 3.46Å; M17-L21 WeakPolarHBondContact O-CG 3.48Å; M17-L21 PolarHBondContact O-N 2.83Å; L21-S25 WeakPolarHBondContact O-CB 3.04Å; L21-S25 PolarHBondContact O-N 3.16Å; L21-S25 PolarHBondContact O-OG 3.1Å
22	A	40.4	Very low	44.9	Very low	43 Å²	43	94.6 Å²	94.6	36%	0.355	52%	0.515	S	S	.	.	H	α-helix	trans	-58.4	-52.3	166.3	0	0	0	0	0	109.8	D18 E24 S25 E26	D18-A22 WeakPolarHBondContact O-CB 3.37Å; D18-A22 PolarHBondContact O-N 3.45Å; A22-E24 PolarHBondContact O-N 2.99Å; A22-S25 CarbonylContact O-C 3.38Å; A22-S25 PolarHBondContact O-N 2.88Å; A22-S25 VanDerWaalsContact O-N 3.11Å; A22-S25 PolarHBondContact O-OG 2.8Å; A22-E26 WeakPolarHBondContact O-CB 3.38Å; A22-E26 WeakPolarHBondContact O-CG 3.31Å; A22-E26 PolarHBondContact O-N 3.29Å
23	A	40.6	Very low	44.3	Very low	45 Å²	45	94.4 Å²	94.4	37%	0.372	51%	0.514	S	S	.	.	H	α-helix	trans	-62.2	-41	178.9	0	0	0	0	0	113.6	Q19 I20 S25 E26 E27	Q19-A23 WeakPolarHBondContact O-CB 3.36Å; Q19-A23 PolarHBondContact O-N 3.47Å; I20-A23 PolarHBondContact O-N 3.42Å; A23-S25 VanDerWaalsContact C-N 3.33Å; A23-E26 CarbonylContact O-C 3.58Å; A23-E26 PolarHBondContact O-N 2.86Å; A23-E27 WeakPolarHBondContact O-CB 3.19Å; A23-E27 WeakPolarHBondContact O-CG 3.42Å; A23-E27 PolarHBondContact O-N 2.79Å
24	E	39.6	Very low	44.2	Very low	90 Å²	90	94 Å²	94	42%	0.421	51%	0.512	S	S	.	.	H	α-helix	trans	-67.3	-34.1	173	-87.9	-150.4	170.5	0	0	112	I20 A22 K28	I20-E24 WeakPolarHBondContact O-CB 3.25Å; I20-E24 PolarHBondContact O-N 2.91Å; A22-E24 PolarHBondContact O-N 2.99Å; E24-K28 WeakPolarHBondContact O-CB 3.49Å; E24-K28 WeakPolarHBondContact O-CG 3.49Å; E24-K28 PolarHBondContact O-N 2.94Å; E24-K28 IonicContact OE2-NZ 2.68Å; E24-K28 PolarHBondContact OE2-NZ 2.72Å
25	S	38.9	Very low	44.2	Very low	68 Å²	68	90.1 Å²	90.1	48%	0.476	49%	0.494	S	S	.	.	H	α-helix	trans	-71.6	-38.6	175.1	78.6	0	0	0	0	111.1	L21 A22 A23 K28 L29	L21-S25 WeakPolarHBondContact O-CB 3.04Å; L21-S25 PolarHBondContact O-N 3.16Å; L21-S25 PolarHBondContact O-OG 3.1Å; A22-S25 CarbonylContact O-C 3.38Å; A22-S25 PolarHBondContact O-N 2.88Å; A22-S25 VanDerWaalsContact O-N 3.11Å; A22-S25 PolarHBondContact O-OG 2.8Å; A23-S25 VanDerWaalsContact C-N 3.33Å; S25-K28 PolarHBondContact O-N 2.97Å; S25-L29 WeakPolarHBondContact O-CB 3.28Å; S25-L29 PolarHBondContact O-N 3.39Å
26	E	38.2	Very low	44.2	Very low	138 Å²	138	90.7 Å²	90.7	65%	0.645	49%	0.488	S	S	*	.	H	α-helix	trans	-68	-38.2	172.1	-74.9	-170.8	136.7	0	0	110.9	A22 A23 S30	A22-E26 WeakPolarHBondContact O-CB 3.38Å; A22-E26 WeakPolarHBondContact O-CG 3.31Å; A22-E26 PolarHBondContact O-N 3.29Å; A23-E26 CarbonylContact O-C 3.58Å; A23-E26 PolarHBondContact O-N 2.86Å; E26-S30 WeakPolarHBondContact O-CA 3.15Å; E26-S30 WeakPolarHBondContact O-CB 3.39Å; E26-S30 PolarHBondContact O-N 2.69Å
27	E	39.3	Very low	44.7	Very low	149 Å²	149	88.5 Å²	88.5	70%	0.696	48%	0.477	S	S	*	.	H	α-helix	trans	-69.7	-37.2	174.2	-79.9	-165.5	144.8	0	0	112.3	A23 G31	A23-E27 WeakPolarHBondContact O-CB 3.19Å; A23-E27 WeakPolarHBondContact O-CG 3.42Å; A23-E27 PolarHBondContact O-N 2.79Å; E27-G31 WeakPolarHBondContact O-CA 3.26Å; E27-G31 PolarHBondContact O-N 2.75Å
28	K	36.1	Very low	45.5	Very low	133 Å²	133	88 Å²	88	58%	0.578	48%	0.476	S	S	*	.	H	α-helix	trans	-72.4	-38	174.2	-76.5	163.9	-175.3	146.4	0	112.1	E24 S25 K32	E24-K28 WeakPolarHBondContact O-CB 3.49Å; E24-K28 WeakPolarHBondContact O-CG 3.49Å; E24-K28 PolarHBondContact O-N 2.94Å; E24-K28 IonicContact OE2-NZ 2.68Å; E24-K28 PolarHBondContact OE2-NZ 2.72Å; S25-K28 PolarHBondContact O-N 2.97Å; K28-K32 PolarHBondContact O-N 3.49Å
29	L	36.2	Very low	47	Very low	111 Å²	111	84.1 Å²	84.1	58%	0.581	46%	0.455	S	S	*	.	H	α-helix	trans	-74.7	-45.5	178.1	-162.3	75.7	0	0	0	110.9	S25 G31 K32 L33	S25-L29 WeakPolarHBondContact O-CB 3.28Å; S25-L29 PolarHBondContact O-N 3.39Å; L29-G31 VanDerWaalsContact C-N 3.32Å; L29-G31 PolarHBondContact O-N 2.89Å; L29-K32 PolarHBondContact O-N 2.82Å; L29-L33 HydrophobicContact CD2-CD1 4.24Å; L29-L33 HydrophobicContact CG-CD1 3.9Å; L29-L33 HydrophobicContact CG-CG 4.49Å; L29-L33 VanDerWaalsContact O-CB 3.28Å; L29-L33 WeakPolarHBondContact O-CB 3.4Å; L29-L33 WeakPolarHBondContact O-CG 3.47Å; L29-L33 PolarHBondContact O-N 3.42Å
30	S	39.7	Very low	48.5	Very low	74 Å²	74	80.3 Å²	80.3	52%	0.517	44%	0.441	S	S	.	.	H	α-helix	trans	-59.8	-40.9	169.8	-176.4	0	0	0	0	111.1	E26 K32 L33 S34	E26-S30 WeakPolarHBondContact O-CA 3.15Å; E26-S30 WeakPolarHBondContact O-CB 3.39Å; E26-S30 PolarHBondContact O-N 2.69Å; S30-K32 PolarHBondContact O-N 2.95Å; S30-L33 CarbonylContact O-C 3.28Å; S30-L33 PolarHBondContact O-N 2.77Å; S30-S34 VanDerWaalsContact O-CB 3.29Å; S30-S34 WeakPolarHBondContact O-CB 3.22Å; S30-S34 PolarHBondContact O-N 3.06Å
31	G	41.3	Very low	49.9	Very low	39 Å²	39	75.4 Å²	75.4	40%	0.402	42%	0.415	S	S	.	.	H	α-helix	trans	-57.4	-45.9	173.1	0	0	0	0	0	112.6	E27 L29 S34	E27-G31 WeakPolarHBondContact O-CA 3.26Å; E27-G31 PolarHBondContact O-N 2.75Å; L29-G31 VanDerWaalsContact C-N 3.32Å; L29-G31 PolarHBondContact O-N 2.89Å; G31-S34 PolarHBondContact O-OG 3.06Å
32	K	41.8	Very low	51.6	Low	88 Å²	88	72 Å²	72	38%	0.383	40%	0.396	S	S	.	.	H	α-helix	trans	-68.4	-44.5	172.7	-80.5	-171.1	166.1	-163.9	0	113.1	K28 L29 S30 S34 E35 Y36 R205 E206	K28-K32 PolarHBondContact O-N 3.49Å; L29-K32 PolarHBondContact O-N 2.82Å; S30-K32 PolarHBondContact O-N 2.95Å; K32-S34 PolarHBondContact O-N 3.21Å; K32-E35 PolarHBondContact O-N 3.24Å; K32-Y36 WeakPolarHBondContact O-CD2 3.32Å; K32-R205 VanDerWaalsContact CE-O 3.28Å; K32-R205 WeakPolarHBondContact CE-O 3.21Å; K32-R205 PolarHBondContact NZ-O 2.89Å; K32-E206 IonicContact NZ-OE1 2.68Å; K32-E206 PolarHBondContact NZ-OE1 3.2Å
33	L	41.9	Very low	53.6	Low	102 Å²	102	71 Å²	71	53%	0.534	39%	0.386	S	S	.	.	H	α-helix	trans	-67.2	-22	179.5	-71.1	167.4	0	0	0	112.3	L29 S30 E35 Y36	L29-L33 HydrophobicContact CD2-CD1 4.24Å; L29-L33 HydrophobicContact CG-CD1 3.9Å; L29-L33 HydrophobicContact CG-CG 4.49Å; L29-L33 VanDerWaalsContact O-CB 3.28Å; L29-L33 WeakPolarHBondContact O-CB 3.4Å; L29-L33 WeakPolarHBondContact O-CG 3.47Å; L29-L33 PolarHBondContact O-N 3.42Å; S30-L33 CarbonylContact O-C 3.28Å; S30-L33 PolarHBondContact O-N 2.77Å; L33-E35 PolarHBondContact O-N 2.86Å; L33-E35 VanDerWaalsContact O-N 3.12Å; L33-Y36 CarbonylContact O-C 3.55Å; L33-Y36 PolarHBondContact O-N 3.01Å
34	S	50	Low	55.5	Low	75 Å²	75	69.1 Å²	69.1	52%	0.524	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-16.5	177.2	76.1	0	0	0	0	113.8	S30 G31 K32 F104	S30-S34 VanDerWaalsContact O-CB 3.29Å; S30-S34 WeakPolarHBondContact O-CB 3.22Å; S30-S34 PolarHBondContact O-N 3.06Å; G31-S34 PolarHBondContact O-OG 3.06Å; K32-S34 PolarHBondContact O-N 3.21Å; S34-F104 VanDerWaalsContact O-CE1 3.26Å; S34-F104 WeakPolarHBondContact O-CE1 3.47Å
35	E	53.7	Low	57.3	Low	35 Å²	35	66.7 Å²	66.7	16%	0.164	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-3.1	173.2	-54.9	-165.3	86.5	0	0	113.7	K32 L33 F104 Y198 R199 S201 A202	K32-E35 PolarHBondContact O-N 3.24Å; L33-E35 PolarHBondContact O-N 2.86Å; L33-E35 VanDerWaalsContact O-N 3.12Å; E35-F104 WeakPolarHBondContact O-CZ 3.32Å; E35-Y198 WeakPolarHBondContact O-CA 3.02Å; E35-R199 PolarHBondContact O-N 2.97Å; E35-S201 WeakPolarHBondContact OE1-CB 3.42Å; E35-S201 PolarHBondContact OE1-OG 2.96Å; E35-A202 HydrophobicContact CB-CB 3.54Å; E35-A202 HydrophobicContact CG-CB 4.49Å
36	Y	55.2	Low	59.1	Low	90 Å²	90	66.7 Å²	66.7	35%	0.353	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	105.2	-177.3	-66.6	-96.6	0	0	0	111.5	K32 L33 V196 Y198 A202	K32-Y36 WeakPolarHBondContact O-CD2 3.32Å; L33-Y36 CarbonylContact O-C 3.55Å; L33-Y36 PolarHBondContact O-N 3.01Å; Y36-V196 HydrophobicContact CD1-CG2 4.17Å; Y36-Y198 HydrophobicContact CD1-CG 4.23Å; Y36-Y198 HydrophobicContact CE1-CG 4.04Å; Y36-A202 HydrophobicContact CD2-CB 4.23Å; Y36-A202 HydrophobicContact CE1-CB 4.35Å; Y36-A202 HydrophobicContact CE2-CB 3.55Å; Y36-A202 PolarHBondContact OH-O 2.93Å
37	G	61.4	Low	60.7	Low	19 Å²	19	66.5 Å²	66.5	20%	0.196	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	135.7	170.9	0	0	0	0	0	112	V197	G37-V197 PolarHBondContact N-O 2.88Å; G37-V197 PolarHBondContact O-N 3Å
38	L	69.2	Low	62.1	Low	117 Å²	117	60.3 Å²	60.3	61%	0.613	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.9	133.7	162.1	-65.4	-179.4	0	0	0	109.2	L181 V194 V196	L38-L181 HydrophobicContact CD2-CD1 4.35Å; L38-L181 HydrophobicContact CD2-CD2 4.36Å; L38-V194 HydrophobicContact CB-CG1 4.16Å; L38-V194 HydrophobicContact CD2-CG1 4.08Å; L38-V196 HydrophobicContact CD2-CB 4.13Å; L38-V196 HydrophobicContact CD2-CG2 4.23Å
39	M	78.3	Confident	64	Low	14 Å²	14	62 Å²	62	7%	0.069	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	163.3	-178.4	57.6	79.4	70.1	0	0	111.2	P41 V101 I178 H195 V197	M39-P41 HydrophobicContact CE-CB 3.93Å; M39-P41 HydrophobicContact SD-CB 4.34Å; M39-P41 HydrophobicContact SD-CG 4.39Å; M39-V101 VanDerWaalsContact CE-CA 3.47Å; M39-V101 HydrophobicContact CE-CB 3.61Å; M39-V101 HydrophobicContact CE-CG1 3.92Å; M39-I178 HydrophobicContact CE-CD1 4.43Å; M39-I178 HydrophobicContact SD-CD1 3.93Å; M39-H195 PolarHBondContact N-O 2.88Å; M39-H195 PolarHBondContact O-N 3.14Å; M39-H195 HydrophobicContact SD-CB 3.88Å; M39-V197 HydrophobicContact CG-CB 4.5Å; M39-V197 HydrophobicContact CG-CG2 3.62Å; M39-V197 HydrophobicContact SD-CG2 3.96Å
40	V	79.5	Confident	66.1	Low	49 Å²	49	62.7 Å²	62.7	30%	0.297	33%	0.334	S	S	.	.			trans	-117.5	108	173	177.1	0	0	0	0	106.6	H53 G192 V194	V40-H53 WeakPolarHBondContact CG1-ND1 3.05Å; V40-G192 VanDerWaalsContact CG1-CA 3.42Å; V40-V194 HydrophobicContact CG2-CG2 4.17Å
41	P	80.8	Confident	68.1	Low	1 Å²	1	64.1 Å²	64.1	1%	0.006	34%	0.335	C	S	.	.			trans	-68.7	159.6	174.6	31.1	-32.9	0	0	0	109.8	M39 V55 V101 L165 H195	M39-P41 HydrophobicContact CE-CB 3.93Å; M39-P41 HydrophobicContact SD-CB 4.34Å; M39-P41 HydrophobicContact SD-CG 4.39Å; P41-V55 HydrophobicContact CB-CG1 4.29Å; P41-V55 HydrophobicContact CG-CG1 4.26Å; P41-V55 HydrophobicContact CG-CG2 4.33Å; P41-V101 HydrophobicContact CB-CG1 4.32Å; P41-L165 HydrophobicContact CB-CD1 3.69Å; P41-L165 HydrophobicContact CB-CG 4.44Å; P41-L165 HydrophobicContact CG-CD1 4.16Å; P41-L165 HydrophobicContact CG-CG 4.4Å; P41-H195 WeakPolarHBondContact CD-ND1 3.34Å; P41-H195 HydrophobicContact CG-CB 4.48Å; P41-H195 WeakPolarHBondContact CG-ND1 3.39Å
42	F	80.9	Confident	70	Confident	32 Å²	32	63.8 Å²	63.8	14%	0.14	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	144.3	172.5	53.4	-88.4	0	0	0	110.7	T44 Y50 S52 F99 N100 E107	F42-T44 HydrophobicContact CD2-CG2 3.38Å; F42-T44 HydrophobicContact CE2-CG2 3.37Å; F42-Y50 HydrophobicContact CB-CD2 3.83Å; F42-Y50 HydrophobicContact CB-CE2 3.77Å; F42-Y50 HydrophobicContact CD1-CD2 4.37Å; F42-Y50 AromaticContact CD2-CD2 3.41Å; F42-Y50 HydrophobicContact CD2-CD2 3.41Å; F42-Y50 VanDerWaalsContact CD2-CD2 3.41Å; F42-Y50 HydrophobicContact CD2-CE2 4.25Å; F42-Y50 HydrophobicContact CD2-CG 4.13Å; F42-Y50 AromaticContact CE2-CD2 3.95Å; F42-Y50 HydrophobicContact CE2-CD2 3.95Å; F42-Y50 HydrophobicContact CE2-CG 4.46Å; F42-Y50 AromaticContact CG-CD2 3.64Å; F42-Y50 HydrophobicContact CG-CD2 3.64Å; F42-Y50 HydrophobicContact CG-CE2 4.06Å; F42-S52 CarbonylContact C-O 3.59Å; F42-S52 VanDerWaalsContact CA-O 3.31Å; F42-S52 WeakPolarHBondContact CA-O 2.99Å; F42-S52 VanDerWaalsContact CB-O 3.29Å; F42-S52 WeakPolarHBondContact CB-O 3.37Å; F42-F99 WeakPolarHBondContact O-CA 3.07Å; F42-N100 HydrophobicContact CD2-CB 4.22Å; F42-N100 HydrophobicContact CE1-CB 4.06Å; F42-N100 HydrophobicContact CE2-CB 3.67Å; F42-N100 HydrophobicContact CZ-CB 3.58Å; F42-N100 PolarHBondContact O-N 2.92Å; F42-E107 WeakPolarHBondContact CZ-OE1 3.45Å
43	S	83.3	Confident	71.6	Confident	21 Å²	21	62.1 Å²	62.1	15%	0.147	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	139.9	170.2	38.8	0	0	0	0	109.8	I51 S52 V54 F98	S43-I51 WeakPolarHBondContact O-CB 3.32Å; S43-I51 PolarHBondContact O-N 3.24Å; S43-S52 PolarHBondContact N-O 3.4Å; S43-S52 PolarHBondContact O-N 3.08Å; S43-S52 PolarHBondContact OG-N 2.02Å; S43-S52 PolarHBondContact OG-O 3.39Å; S43-S52 PolarHBondContact OG-OG 3.49Å; S43-V54 PolarHBondContact OG-O 3.3Å; S43-F98 WeakPolarHBondContact CA-O 3.49Å
44	T	81.4	Confident	73.3	Confident	7 Å²	7	59.6 Å²	59.6	4%	0.043	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	166.7	-177.8	46.2	0	0	0	0	113	F42 R49 I51 F98 N100 H109	F42-T44 HydrophobicContact CD2-CG2 3.38Å; F42-T44 HydrophobicContact CE2-CG2 3.37Å; T44-R49 CarbonylContact C-O 3.49Å; T44-R49 WeakPolarHBondContact CA-O 3.3Å; T44-R49 VanDerWaalsContact CB-O 3.26Å; T44-R49 WeakPolarHBondContact CB-O 3.01Å; T44-R49 WeakPolarHBondContact CG2-O 3.34Å; T44-I51 VanDerWaalsContact C-CD1 3.41Å; T44-I51 WeakPolarHBondContact O-CD1 3.27Å; T44-F98 PolarHBondContact N-O 2.97Å; T44-F98 WeakPolarHBondContact O-CB 3.41Å; T44-F98 PolarHBondContact OG1-O 3.01Å; T44-N100 WeakPolarHBondContact CB-OD1 3.35Å; T44-N100 HydrophobicContact CG2-CB 4.02Å; T44-N100 WeakPolarHBondContact CG2-OD1 3.46Å; T44-N100 PolarHBondContact OG1-OD1 3.13Å; T44-H109 PolarHBondContact OG1-CE1 3.32Å; T44-H109 PolarHBondContact OG1-ND1 2.89Å
45	D	76.9	Confident	74.6	Confident	39 Å²	39	56.3 Å²	56.3	21%	0.209	29%	0.285	C	S	.	.			trans	-78.7	172.9	163.8	83.9	-16.4	0	0	0	110.6	H47 G48 R49 I51 H109	D45-H47 PolarHBondContact O-N 3.22Å; D45-H47 WeakPolarHBondContact OD1-CA 3.5Å; D45-H47 WeakPolarHBondContact OD1-CB 3.01Å; D45-H47 PolarHBondContact OD1-N 2.99Å; D45-H47 IonicContact OD1-ND1 3.74Å; D45-H47 IonicContact OD2-CG 3.73Å; D45-H47 IonicContact OD2-ND1 3.68Å; D45-H47 PolarHBondContact OD2-ND1 2.8Å; D45-H47 VanDerWaalsContact OD2-ND1 3.16Å; D45-G48 PolarHBondContact O-N 3.45Å; D45-G48 PolarHBondContact OD1-N 2.84Å; D45-R49 PolarHBondContact N-O 2.66Å; D45-R49 VanDerWaalsContact OD1-CB 3.26Å; D45-R49 WeakPolarHBondContact OD1-CB 3.28Å; D45-R49 WeakPolarHBondContact OD1-CG 3.06Å; D45-R49 PolarHBondContact OD1-N 2.8Å; D45-I51 HydrophobicContact CB-CD1 4.23Å; D45-H109 PolarHBondContact O-CE1 2.58Å; D45-H109 PolarHBondContact O-NE2 3.22Å
46	S	76	Confident	75.7	Confident	67 Å²	67	55.3 Å²	55.3	47%	0.469	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	10.8	178.2	66.4	0	0	0	0	115
47	H	71.6	Confident	76.3	Confident	134 Å²	134	52.9 Å²	52.9	62%	0.62	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125	18.1	175.9	-46.9	93.2	0	0	0	111.1	D45 R49	D45-H47 PolarHBondContact O-N 3.22Å; D45-H47 WeakPolarHBondContact OD1-CA 3.5Å; D45-H47 WeakPolarHBondContact OD1-CB 3.01Å; D45-H47 PolarHBondContact OD1-N 2.99Å; D45-H47 IonicContact OD1-ND1 3.74Å; D45-H47 IonicContact OD2-CG 3.73Å; D45-H47 IonicContact OD2-ND1 3.68Å; D45-H47 PolarHBondContact OD2-ND1 2.8Å; D45-H47 VanDerWaalsContact OD2-ND1 3.16Å; H47-R49 VanDerWaalsContact C-N 3.31Å; H47-R49 HydrophobicContact CB-CG 4.45Å; H47-R49 PolarHBondContact O-N 2.83Å
48	G	69.3	Low	75.8	Confident	20 Å²	20	55.7 Å²	55.7	21%	0.206	31%	0.31	C	S	.	.	S	Bend	trans	72.6	13.2	179.1	0	0	0	0	0	115.4	D45 N100 H109	D45-G48 PolarHBondContact O-N 3.45Å; D45-G48 PolarHBondContact OD1-N 2.84Å; G48-N100 PolarHBondContact O-ND2 3.4Å; G48-H109 VanDerWaalsContact CA-CE1 3.43Å; G48-H109 WeakPolarHBondContact CA-CE1 3.47Å; G48-H109 PolarHBondContact N-CE1 3.38Å; G48-H109 VanDerWaalsContact N-CE1 3.34Å; G48-H109 PolarHBondContact N-NE2 3.3Å
49	R	76.3	Confident	74.2	Confident	169 Å²	169	55.3 Å²	55.3	64%	0.638	32%	0.317	S	S	*	.			trans	-86	132.7	-177.5	-56.9	175.5	176.1	164.6	-1.5	111.3	T44 D45 H47 I51	T44-R49 CarbonylContact C-O 3.49Å; T44-R49 WeakPolarHBondContact CA-O 3.3Å; T44-R49 VanDerWaalsContact CB-O 3.26Å; T44-R49 WeakPolarHBondContact CB-O 3.01Å; T44-R49 WeakPolarHBondContact CG2-O 3.34Å; D45-R49 PolarHBondContact N-O 2.66Å; D45-R49 VanDerWaalsContact OD1-CB 3.26Å; D45-R49 WeakPolarHBondContact OD1-CB 3.28Å; D45-R49 WeakPolarHBondContact OD1-CG 3.06Å; D45-R49 PolarHBondContact OD1-N 2.8Å; H47-R49 VanDerWaalsContact C-N 3.31Å; H47-R49 HydrophobicContact CB-CG 4.45Å; H47-R49 PolarHBondContact O-N 2.83Å; R49-I51 PolarHBondContact O-N 3.02Å
50	Y	80.1	Confident	71.9	Confident	124 Å²	124	58 Å²	58	49%	0.486	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-49.6	126.9	177.1	179	-83.3	0	0	0	113.1	F42 S52 H53	F42-Y50 HydrophobicContact CB-CD2 3.83Å; F42-Y50 HydrophobicContact CB-CE2 3.77Å; F42-Y50 HydrophobicContact CD1-CD2 4.37Å; F42-Y50 AromaticContact CD2-CD2 3.41Å; F42-Y50 HydrophobicContact CD2-CD2 3.41Å; F42-Y50 VanDerWaalsContact CD2-CD2 3.41Å; F42-Y50 HydrophobicContact CD2-CE2 4.25Å; F42-Y50 HydrophobicContact CD2-CG 4.13Å; F42-Y50 AromaticContact CE2-CD2 3.95Å; F42-Y50 HydrophobicContact CE2-CD2 3.95Å; F42-Y50 HydrophobicContact CE2-CG 4.46Å; F42-Y50 AromaticContact CG-CD2 3.64Å; F42-Y50 HydrophobicContact CG-CD2 3.64Å; F42-Y50 HydrophobicContact CG-CE2 4.06Å; Y50-S52 WeakPolarHBondContact OH-CA 3.32Å; Y50-H53 AromaticContact CE2-CE1 3.77Å; Y50-H53 AromaticContact CE2-ND1 3.99Å; Y50-H53 AromaticContact CE2-NE2 3.81Å; Y50-H53 PolarHBondContact OH-CD2 2.03Å; Y50-H53 PolarHBondContact OH-N 2.89Å
51	I	82.5	Confident	69.3	Low	104 Å²	104	61.5 Å²	61.5	53%	0.533	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	-59.2	167.7	-63.2	-179	0	0	0	110	S43 T44 D45 R49	S43-I51 WeakPolarHBondContact O-CB 3.32Å; S43-I51 PolarHBondContact O-N 3.24Å; T44-I51 VanDerWaalsContact C-CD1 3.41Å; T44-I51 WeakPolarHBondContact O-CD1 3.27Å; D45-I51 HydrophobicContact CB-CD1 4.23Å; R49-I51 PolarHBondContact O-N 3.02Å
52	S	80.7	Confident	66.6	Low	32 Å²	32	67.6 Å²	67.6	22%	0.224	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	159.7	179.8	80	0	0	0	0	113.7	F42 S43 Y50 V54	F42-S52 CarbonylContact C-O 3.59Å; F42-S52 VanDerWaalsContact CA-O 3.31Å; F42-S52 WeakPolarHBondContact CA-O 2.99Å; F42-S52 VanDerWaalsContact CB-O 3.29Å; F42-S52 WeakPolarHBondContact CB-O 3.37Å; S43-S52 PolarHBondContact N-O 3.4Å; S43-S52 PolarHBondContact O-N 3.08Å; S43-S52 PolarHBondContact OG-N 2.02Å; S43-S52 PolarHBondContact OG-O 3.39Å; S43-S52 PolarHBondContact OG-OG 3.49Å; Y50-S52 WeakPolarHBondContact OH-CA 3.32Å; S52-V54 PolarHBondContact O-N 2.96Å; S52-V54 PolarHBondContact OG-N 2.87Å; S52-V54 PolarHBondContact OG-O 2.99Å
53	H	74.1	Confident	64	Low	53 Å²	53	72 Å²	72	25%	0.245	44%	0.436	C	S	.	.	S	Bend	trans	-73.3	-8.9	167.2	-72.9	-55.2	0	0	0	114.6	V40 Y50 V55 E189	V40-H53 WeakPolarHBondContact CG1-ND1 3.05Å; Y50-H53 AromaticContact CE2-CE1 3.77Å; Y50-H53 AromaticContact CE2-ND1 3.99Å; Y50-H53 AromaticContact CE2-NE2 3.81Å; Y50-H53 PolarHBondContact OH-CD2 2.03Å; Y50-H53 PolarHBondContact OH-N 2.89Å; H53-V55 PolarHBondContact O-N 3.2Å; H53-E189 WeakPolarHBondContact CB-O 3.43Å
54	V	78.3	Confident	61.3	Low	50 Å²	50	76.2 Å²	76.2	30%	0.303	47%	0.472	S	S	.	.			trans	-72.5	125.2	173.1	-175.5	0	0	0	0	108.3	S43 S52 E189 V190	S43-V54 PolarHBondContact OG-O 3.3Å; S52-V54 PolarHBondContact O-N 2.96Å; S52-V54 PolarHBondContact OG-N 2.87Å; S52-V54 PolarHBondContact OG-O 2.99Å; V54-E189 WeakPolarHBondContact CA-OE2 3.33Å; V54-V190 HydrophobicContact CG2-CG2 3.93Å
55	V	77.3	Confident	58.8	Low	5 Å²	5	80.9 Å²	80.9	3%	0.03	51%	0.512	C	S	.	.			trans	-128.3	-23.8	-179.4	-62	0	0	0	0	112	P41 H53 F99 N161 L165 E189	P41-V55 HydrophobicContact CB-CG1 4.29Å; P41-V55 HydrophobicContact CG-CG1 4.26Å; P41-V55 HydrophobicContact CG-CG2 4.33Å; H53-V55 PolarHBondContact O-N 3.2Å; V55-F99 HydrophobicContact CB-CD1 4.25Å; V55-F99 HydrophobicContact CB-CE1 3.75Å; V55-F99 HydrophobicContact CB-CZ 4.47Å; V55-F99 HydrophobicContact CG1-CD1 3.74Å; V55-F99 HydrophobicContact CG1-CE1 3.67Å; V55-N161 WeakPolarHBondContact O-CB 3.49Å; V55-N161 PolarHBondContact O-ND2 2.86Å; V55-L165 HydrophobicContact CB-CD2 4.07Å; V55-L165 HydrophobicContact CB-CG 4.01Å; V55-L165 HydrophobicContact CG1-CG 4.46Å; V55-L165 HydrophobicContact CG2-CD2 4.48Å; V55-L165 HydrophobicContact CG2-CG 4.08Å; V55-E189 HydrophobicContact CG2-CG 4.44Å; V55-E189 PolarHBondContact N-OE2 3.43Å
56	S	76.3	Confident	56.5	Low	15 Å²	15	83.3 Å²	83.3	11%	0.105	54%	0.538	C	S	.	.	S	Bend	trans	-68.5	146.1	176	-67.3	0	0	0	0	113.2	N161 G164 E189	S56-N161 CarbonylContact C-O 3.6Å; S56-N161 VanDerWaalsContact CA-O 3.3Å; S56-N161 WeakPolarHBondContact CA-O 3.46Å; S56-G164 PolarHBondContact OG-N 2.96Å; S56-E189 VanDerWaalsContact CB-OE2 3.25Å; S56-E189 WeakPolarHBondContact CB-OE2 3.35Å; S56-E189 PolarHBondContact N-OE2 2.9Å; S56-E189 VanDerWaalsContact OG-CD 3.29Å; S56-E189 PolarHBondContact OG-OE1 2.79Å; S56-E189 PolarHBondContact OG-OE2 2.61Å
57	A	67.6	Low	54	Low	38 Å²	38	88.2 Å²	88.2	31%	0.314	56%	0.558	S	S	.	*	P	Polyproline II helix	trans	-72.5	128.9	159.8	0	0	0	0	0	110.2	S59 C143 N161	A57-S59 PolarHBondContact O-N 3.49Å; A57-C143 HydrophobicContact CB-CB 3.95Å; A57-N161 PolarHBondContact N-O 2.87Å
58	G	52.3	Low	51.9	Low	79 Å²	79	89.8 Å²	89.8	81%	0.814	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-68.9	128	-172.6	0	0	0	0	0	114.2
59	S	34.8	Very low	49.8	Very low	108 Å²	108	95.1 Å²	95.1	76%	0.755	59%	0.59	S	S	*	*	P	Polyproline II helix	trans	-76.8	147.2	178.2	-176.1	0	0	0	0	113.7	A57	A57-S59 PolarHBondContact O-N 3.49Å
60	G	30.4	Very low	47.5	Very low	72 Å²	72	94.3 Å²	94.3	74%	0.742	60%	0.597	S	S	*	*			trans	134.9	88.9	153.1	0	0	0	0	0	118.3
61	S	24.2	Very low	44.8	Very low	122 Å²	122	93.1 Å²	93.1	85%	0.853	61%	0.607	S	S	*	*			trans	-158.9	63.3	149.4	72.8	0	0	0	0	114.2
62	K	25.3	Very low	42.1	Very low	129 Å²	129	92.8 Å²	92.8	56%	0.561	62%	0.62	S	S	*	*			trans	-134.7	161.1	162.2	-79.5	-170.1	-179.7	178.6	0	110.9	E137	K62-E137 IonicContact NZ-OE1 3.15Å; K62-E137 PolarHBondContact NZ-OE1 2.89Å; K62-E137 IonicContact NZ-OE2 2.78Å; K62-E137 PolarHBondContact NZ-OE2 2.84Å
63	S	26.3	Very low	40.2	Very low	124 Å²	124	97.6 Å²	97.6	87%	0.867	65%	0.651	S	S	*	*			trans	54.1	85.3	176.9	59.8	0	0	0	0	117.9
64	A	25.3	Very low	37.9	Very low	109 Å²	109	99 Å²	99	90%	0.901	68%	0.679	S	S	*	*			trans	-157	66.3	155	0	0	0	0	0	110.8
65	A	28.5	Very low	35.4	Very low	106 Å²	106	102.5 Å²	102.5	88%	0.876	71%	0.706	S	S	*	*			trans	-146	73.7	-177.9	0	0	0	0	0	112.2
66	A	28.6	Very low	33.3	Very low	90 Å²	90	113.2 Å²	113.2	74%	0.744	75%	0.746	S	S	*	*			trans	-156.8	151	167.3	0	0	0	0	0	111.1
67	D	25.3	Very low	30.9	Very low	169 Å²	169	124.3 Å²	124.3	90%	0.904	79%	0.785	S	S	*	*			trans	63.3	156.8	167.8	-64.8	-11.4	0	0	0	120.7
68	E	27.1	Very low	28.9	Very low	168 Å²	168	134 Å²	134	79%	0.785	81%	0.814	S	S	*	*			trans	-114.3	167.9	-160.2	-47.5	-177.4	121.9	0	0	114.6
69	N	25.5	Very low	27.6	Very low	131 Å²	131	139.1 Å²	139.1	70%	0.701	82%	0.818	S	S	*	*			trans	75.4	152.8	137.5	-83.7	-44.6	0	0	0	121.1
70	L	26.1	Very low	27.1	Very low	152 Å²	152	138.5 Å²	138.5	80%	0.796	82%	0.82	S	S	*	*			trans	74.9	92.8	160	-69.4	163	0	0	0	121.3
71	S	24.1	Very low	26.9	Very low	100 Å²	100	145.9 Å²	145.9	70%	0.699	83%	0.825	S	S	*	*				71.7	117.4	121.4	66.2	0	0	0	0	123.1
72	A	26.5	Very low	26.9	Very low	97 Å²	97	145.5 Å²	145.5	80%	0.802	82%	0.823	S	S	*	*			trans	74.8	155.9	133.2	0	0	0	0	0	119.7
73	P	40.9	Very low	26.8	Very low	133 Å²	133	143.7 Å²	143.7	86%	0.864	83%	0.832	S	S	*	*			trans	-111.8	152.9	-156.1	39.3	-31.1	0	0	0	115.7
74	G	25.6	Very low	26.8	Very low	82 Å²	82	143.9 Å²	143.9	85%	0.845	83%	0.831	S	S	*	*			trans	140.7	105.5	140.6	0	0	0	0	0	117.9
75	S	26.4	Very low	26.7	Very low	123 Å²	123	147.7 Å²	147.7	86%	0.86	83%	0.83	S	S	*	*			trans	-161.6	128.4	134.7	-166.6	0	0	0	0	111.5
76	R	31.4	Very low	26.5	Very low	231 Å²	231	148.6 Å²	148.6	87%	0.872	83%	0.825	S	S	*	*			trans	-90.1	126.8	172.1	-72.4	176.2	173	158.7	-1.5	109.7
77	R	26.2	Very low	26.2	Very low	248 Å²	248	150 Å²	150	94%	0.936	83%	0.826	S	S	*	*			trans	-139.1	155.9	152	-104.6	174.3	-170.5	-163.9	0.6	111.6
78	R	27.1	Very low	26.3	Very low	242 Å²	242	147.4 Å²	147.4	91%	0.913	82%	0.821	S	S	*	*			trans	-104.8	135	-161.1	-55.9	168.5	-179.2	151.7	-3.4	111.5
79	M	24.3	Very low	26.4	Very low	185 Å²	185	146 Å²	146	91%	0.911	82%	0.823	S	S	*	*			trans	-134.9	121.8	141.5	-76.9	-158.6	177.4	0	0	106.1
80	A	24.9	Very low	26.4	Very low	96 Å²	96	146.3 Å²	146.3	79%	0.793	83%	0.83	S	S	*	*				79.9	134	82	0	0	0	0	0	111.3
81	R	25.3	Very low	26.5	Very low	226 Å²	226	144.1 Å²	144.1	85%	0.853	83%	0.828	S	S	*	*			trans	-83.9	163.1	-167.5	-88	176.8	162.6	159.7	-8.8	112.8
82	S	24.4	Very low	26.7	Very low	114 Å²	114	143.2 Å²	143.2	80%	0.797	82%	0.821	S	S	*	*			trans	65.3	86.4	150.2	52.3	0	0	0	0	119
83	A	23.2	Very low	26.8	Very low	92 Å²	92	145.6 Å²	145.6	76%	0.76	82%	0.818	S	S	*	*				-144.6	122.3	110.2	0	0	0	0	0	108.8
84	P	26.8	Very low	26.6	Very low	128 Å²	128	142.3 Å²	142.3	83%	0.831	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-75.4	130.7	177.4	-15.4	31	0	0	0	111.8
85	Q	22.4	Very low	27.8	Very low	188 Å²	188	141.8 Å²	141.8	88%	0.879	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-72.5	144.2	169.8	-68.8	167.7	-38.6	0	0	110.6	P87	Q85-P87 WeakPolarHBondContact O-CD 3.44Å
86	T	23.3	Very low	29.4	Very low	126 Å²	126	140.5 Å²	140.5	77%	0.773	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-82.3	117.2	173.3	42.2	0	0	0	0	111.2
87	P	24	Very low	31.7	Very low	118 Å²	118	131.9 Å²	131.9	77%	0.766	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-76.8	151	174.1	-13.7	31.1	0	0	0	112.2	Q85	Q85-P87 WeakPolarHBondContact O-CD 3.44Å
88	S	26.9	Very low	34.4	Very low	115 Å²	115	122.1 Å²	122.1	80%	0.804	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-55.2	133	-179.3	54.5	0	0	0	0	114.5
89	V	28.1	Very low	37.3	Very low	138 Å²	138	110.9 Å²	110.9	84%	0.836	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-98	117.9	169.3	176.6	0	0	0	0	110.2
90	T	27	Very low	40.2	Very low	138 Å²	138	102.4 Å²	102.4	85%	0.847	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-97.3	118.7	166.7	52.2	0	0	0	0	110.1
91	S	27	Very low	43.1	Very low	107 Å²	107	97.9 Å²	97.9	75%	0.748	58%	0.578	S	S	*	*			trans	-148.8	145	170.5	-172.6	0	0	0	0	110.3
92	S	29.4	Very low	45.7	Very low	80 Å²	80	89.7 Å²	89.7	56%	0.559	55%	0.553	S	S	*	*			trans	-136.5	67.9	-171.4	54.2	0	0	0	0	113.9
93	M	27.3	Very low	48.1	Very low	148 Å²	148	84.7 Å²	84.7	73%	0.729	52%	0.517	S	S	*	.	S	Bend	trans	-131.5	137.7	147.2	-85.6	-172.5	158.6	0	0	107.3
94	G	37.6	Very low	50.3	Low	63 Å²	63	83.8 Å²	83.8	65%	0.649	50%	0.496	S	S	*	.			trans	16.2	105.8	-179.2	0	0	0	0	0	117.8	H96	G94-H96 PolarHBondContact O-N 3.03Å
95	Q	50.3	Low	52	Low	72 Å²	72	81.1 Å²	81.1	34%	0.336	49%	0.492	S	S	.	.			trans	-65.8	78.5	166.7	-73.7	170.9	-72.3	0	0	110.4	A114	Q95-A114 HydrophobicContact CB-CB 4.36Å; Q95-A114 PolarHBondContact O-N 3.23Å
96	H	60.6	Low	54.5	Low	95 Å²	95	77.7 Å²	77.7	44%	0.44	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	108.5	156.8	-80.9	-84.8	0	0	0	108	G94 F98 L112	G94-H96 PolarHBondContact O-N 3.03Å; H96-F98 HydrophobicContact CB-CE2 3.79Å; H96-F98 HydrophobicContact CB-CZ 3.84Å; H96-F98 WeakPolarHBondContact O-CE2 3.46Å; H96-L112 CarbonylContact C-O 3.51Å; H96-L112 WeakPolarHBondContact CA-O 3.45Å
97	L	79.1	Confident	57.3	Low	50 Å²	50	77 Å²	77	26%	0.262	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	137.9	169.9	-63.5	-172.7	0	0	0	108.8	F99 L112 F145	L97-F99 HydrophobicContact CB-CD2 4.37Å; L97-F99 HydrophobicContact CB-CE2 3.69Å; L97-F99 HydrophobicContact CB-CZ 4.2Å; L97-F99 HydrophobicContact CD1-CE2 3.93Å; L97-F99 HydrophobicContact CD1-CZ 3.96Å; L97-F99 HydrophobicContact CG-CE2 4.46Å; L97-L112 HydrophobicContact CB-CB 4.41Å; L97-L112 PolarHBondContact N-O 3.1Å; L97-L112 WeakPolarHBondContact O-CB 3.49Å; L97-L112 PolarHBondContact O-N 3.5Å; L97-F145 HydrophobicContact CD1-CD1 4.17Å; L97-F145 HydrophobicContact CD1-CD2 4.32Å; L97-F145 HydrophobicContact CD1-CE1 3.53Å; L97-F145 HydrophobicContact CD1-CE2 3.68Å; L97-F145 HydrophobicContact CD1-CZ 3.28Å; L97-F145 HydrophobicContact CG-CD1 4.29Å; L97-F145 HydrophobicContact CG-CE1 3.74Å; L97-F145 HydrophobicContact CG-CZ 4.01Å
98	F	83.9	Confident	60.2	Low	43 Å²	43	71.9 Å²	71.9	19%	0.189	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	131.5	175.9	-57.2	-89.2	0	0	0	108.7	S43 T44 H96 H109 L110 R111	S43-F98 WeakPolarHBondContact CA-O 3.49Å; T44-F98 PolarHBondContact N-O 2.97Å; T44-F98 WeakPolarHBondContact O-CB 3.41Å; T44-F98 PolarHBondContact OG1-O 3.01Å; H96-F98 HydrophobicContact CB-CE2 3.79Å; H96-F98 HydrophobicContact CB-CZ 3.84Å; H96-F98 WeakPolarHBondContact O-CE2 3.46Å; F98-H109 AromaticContact CD1-CE1 3.89Å; F98-H109 AromaticContact CD1-NE2 3.72Å; F98-L110 WeakPolarHBondContact CA-O 3.27Å; F98-R111 HydrophobicContact CD1-CB 4.33Å; F98-R111 HydrophobicContact CD1-CG 4.02Å; F98-R111 HydrophobicContact CE1-CB 4.12Å; F98-R111 HydrophobicContact CE1-CG 3.93Å
99	F	86.7	Confident	63	Low	6 Å²	6	67.7 Å²	67.7	3%	0.026	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	141.7	175.9	-60.5	-76.9	0	0	0	109	F42 V55 L97 L110 L112 L165	F42-F99 WeakPolarHBondContact O-CA 3.07Å; V55-F99 HydrophobicContact CB-CD1 4.25Å; V55-F99 HydrophobicContact CB-CE1 3.75Å; V55-F99 HydrophobicContact CB-CZ 4.47Å; V55-F99 HydrophobicContact CG1-CD1 3.74Å; V55-F99 HydrophobicContact CG1-CE1 3.67Å; L97-F99 HydrophobicContact CB-CD2 4.37Å; L97-F99 HydrophobicContact CB-CE2 3.69Å; L97-F99 HydrophobicContact CB-CZ 4.2Å; L97-F99 HydrophobicContact CD1-CE2 3.93Å; L97-F99 HydrophobicContact CD1-CZ 3.96Å; L97-F99 HydrophobicContact CG-CE2 4.46Å; F99-L110 PolarHBondContact N-O 3.48Å; F99-L110 PolarHBondContact O-N 3Å; F99-L112 HydrophobicContact CD2-CD1 3.6Å; F99-L112 HydrophobicContact CE2-CD1 3.89Å; F99-L165 HydrophobicContact CB-CD1 4.1Å; F99-L165 HydrophobicContact CD1-CD1 4.18Å; F99-L165 HydrophobicContact CD1-CD2 4.4Å; F99-L165 HydrophobicContact CD2-CD1 4.26Å; F99-L165 HydrophobicContact CD2-CD2 4.1Å; F99-L165 HydrophobicContact CE1-CD2 4.19Å; F99-L165 HydrophobicContact CE2-CD2 3.84Å; F99-L165 HydrophobicContact CG-CD1 3.93Å; F99-L165 HydrophobicContact CG-CD2 4.37Å; F99-L165 HydrophobicContact CZ-CD2 3.89Å
100	N	86.5	Confident	65.7	Low	8 Å²	8	61.1 Å²	61.1	4%	0.043	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	133.6	166.3	-68.8	20.4	0	0	0	109	F42 T44 G48 E107 L108 H109	F42-N100 HydrophobicContact CD2-CB 4.22Å; F42-N100 HydrophobicContact CE1-CB 4.06Å; F42-N100 HydrophobicContact CE2-CB 3.67Å; F42-N100 HydrophobicContact CZ-CB 3.58Å; F42-N100 PolarHBondContact O-N 2.92Å; T44-N100 WeakPolarHBondContact CB-OD1 3.35Å; T44-N100 HydrophobicContact CG2-CB 4.02Å; T44-N100 WeakPolarHBondContact CG2-OD1 3.46Å; T44-N100 PolarHBondContact OG1-OD1 3.13Å; G48-N100 PolarHBondContact O-ND2 3.4Å; N100-E107 HydrophobicContact CB-CG 4.21Å; N100-E107 WeakPolarHBondContact CB-OE1 3.13Å; N100-E107 PolarHBondContact ND2-OE1 3.38Å; N100-L108 WeakPolarHBondContact CA-O 3.19Å; N100-H109 PolarHBondContact OD1-ND1 3.46Å
101	V	85.7	Confident	68.4	Low	0 Å²	0	59.3 Å²	59.3	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	126	177	-59.5	0	0	0	0	110.4	M39 P41 L103 L108 L110 L165 I169 I178	M39-V101 VanDerWaalsContact CE-CA 3.47Å; M39-V101 HydrophobicContact CE-CB 3.61Å; M39-V101 HydrophobicContact CE-CG1 3.92Å; P41-V101 HydrophobicContact CB-CG1 4.32Å; V101-L103 HydrophobicContact CB-CD2 4.13Å; V101-L103 HydrophobicContact CG2-CD2 3.92Å; V101-L103 HydrophobicContact CG2-CG 4.23Å; V101-L103 PolarHBondContact O-N 2.78Å; V101-L108 HydrophobicContact CG2-CB 3.98Å; V101-L108 PolarHBondContact N-O 3.2Å; V101-L108 PolarHBondContact O-N 3.34Å; V101-L110 HydrophobicContact CB-CD1 4.45Å; V101-L110 HydrophobicContact CG1-CD1 3.69Å; V101-L110 HydrophobicContact CG1-CG 4.33Å; V101-L110 HydrophobicContact CG2-CD1 3.83Å; V101-L110 HydrophobicContact CG2-CD2 3.83Å; V101-L110 HydrophobicContact CG2-CG 3.85Å; V101-L165 HydrophobicContact CG1-CD1 4.29Å; V101-I169 HydrophobicContact CG2-CD1 4Å; V101-I178 HydrophobicContact CG1-CD1 4.27Å
102	T	80.5	Confident	71	Confident	55 Å²	55	54.2 Å²	54.2	34%	0.337	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	103.6	178.7	-42.9	0	0	0	0	110.3	K106	T102-K106 CarbonylContact C-O 3.58Å; T102-K106 WeakPolarHBondContact CA-O 3.4Å
103	L	74.2	Confident	73.6	Confident	9 Å²	9	56.7 Å²	56.7	5%	0.047	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	108.3	178	-51.4	-157.3	0	0	0	109.7	V101 G105 K106 L108 I169 F176 V197	V101-L103 HydrophobicContact CB-CD2 4.13Å; V101-L103 HydrophobicContact CG2-CD2 3.92Å; V101-L103 HydrophobicContact CG2-CG 4.23Å; V101-L103 PolarHBondContact O-N 2.78Å; L103-G105 PolarHBondContact O-N 3.42Å; L103-G105 VanDerWaalsContact O-N 3.13Å; L103-K106 PolarHBondContact N-O 3.46Å; L103-K106 PolarHBondContact O-N 3.27Å; L103-L108 HydrophobicContact CB-CD1 4.46Å; L103-L108 HydrophobicContact CD1-CD1 3.55Å; L103-L108 HydrophobicContact CG-CD1 3.8Å; L103-L108 HydrophobicContact CG-CG 4.29Å; L103-I169 HydrophobicContact CD1-CD1 4.37Å; L103-I169 HydrophobicContact CD1-CG2 4.22Å; L103-F176 HydrophobicContact CD1-CB 3.8Å; L103-F176 HydrophobicContact CD1-CD1 4.35Å; L103-F176 HydrophobicContact CD1-CD2 3.68Å; L103-F176 HydrophobicContact CD1-CE2 4.35Å; L103-F176 HydrophobicContact CD1-CG 3.68Å; L103-V197 HydrophobicContact CD2-CB 4.3Å; L103-V197 HydrophobicContact CD2-CG1 3.64Å; L103-V197 HydrophobicContact CD2-CG2 4.06Å
104	F	68.3	Low	75.9	Confident	73 Å²	73	50.1 Å²	50.1	32%	0.32	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.5	41.9	177.1	-59.5	-85.2	0	0	0	114	S34 E35 F176 R199	S34-F104 VanDerWaalsContact O-CE1 3.26Å; S34-F104 WeakPolarHBondContact O-CE1 3.47Å; E35-F104 WeakPolarHBondContact O-CZ 3.32Å; F104-F176 HydrophobicContact CD2-CD1 4.1Å; F104-F176 AromaticContact CD2-CE1 3.64Å; F104-F176 HydrophobicContact CD2-CE1 3.64Å; F104-F176 AromaticContact CE2-CD1 3.72Å; F104-F176 HydrophobicContact CE2-CD1 3.72Å; F104-F176 AromaticContact CE2-CE1 3.6Å; F104-F176 HydrophobicContact CE2-CE1 3.6Å; F104-R199 HydrophobicContact CE2-CG 4.09Å; F104-R199 HydrophobicContact CZ-CG 4.21Å
105	G	63.7	Low	77.7	Confident	72 Å²	72	48 Å²	48	74%	0.742	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.6	-3.2	179.4	0	0	0	0	0	115.9	L103	L103-G105 PolarHBondContact O-N 3.42Å; L103-G105 VanDerWaalsContact O-N 3.13Å
106	K	74	Confident	78.7	Confident	115 Å²	115	52.6 Å²	52.6	50%	0.5	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	129.7	166.2	-66.1	-175.7	179.6	-178.8	0	109.8	T102 L103	T102-K106 CarbonylContact C-O 3.58Å; T102-K106 WeakPolarHBondContact CA-O 3.4Å; L103-K106 PolarHBondContact N-O 3.46Å; L103-K106 PolarHBondContact O-N 3.27Å
107	E	81.6	Confident	79.2	Confident	111 Å²	111	52 Å²	52	52%	0.519	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	125.9	171.5	-169.9	171.4	-170.1	0	0	109.6	F42 N100	F42-E107 WeakPolarHBondContact CZ-OE1 3.45Å; N100-E107 HydrophobicContact CB-CG 4.21Å; N100-E107 WeakPolarHBondContact CB-OE1 3.13Å; N100-E107 PolarHBondContact ND2-OE1 3.38Å
108	L	84.9	Confident	79.2	Confident	12 Å²	12	49.6 Å²	49.6	6%	0.063	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	131.1	176.9	-57.1	-174.9	0	0	0	109.6	N100 V101 L103 L110 V149 M152 I169 T171	N100-L108 WeakPolarHBondContact CA-O 3.19Å; V101-L108 HydrophobicContact CG2-CB 3.98Å; V101-L108 PolarHBondContact N-O 3.2Å; V101-L108 PolarHBondContact O-N 3.34Å; L103-L108 HydrophobicContact CB-CD1 4.46Å; L103-L108 HydrophobicContact CD1-CD1 3.55Å; L103-L108 HydrophobicContact CG-CD1 3.8Å; L103-L108 HydrophobicContact CG-CG 4.29Å; L108-L110 HydrophobicContact CB-CD2 4.37Å; L108-V149 HydrophobicContact CB-CG1 3.96Å; L108-V149 HydrophobicContact CD1-CG1 4.34Å; L108-V149 HydrophobicContact CD2-CG1 4.18Å; L108-V149 HydrophobicContact CG-CG1 4.39Å; L108-M152 HydrophobicContact CD2-CE 3.76Å; L108-M152 HydrophobicContact CD2-SD 4.42Å; L108-I169 HydrophobicContact CD1-CG2 4.31Å; L108-T171 HydrophobicContact CD1-CG2 3.83Å
109	H	85.7	Confident	79	Confident	26 Å²	26	48 Å²	48	12%	0.12	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	103.1	175.8	-175.7	51.9	0	0	0	109.6	T44 D45 G48 F98 N100 T150	T44-H109 PolarHBondContact OG1-CE1 3.32Å; T44-H109 PolarHBondContact OG1-ND1 2.89Å; D45-H109 PolarHBondContact O-CE1 2.58Å; D45-H109 PolarHBondContact O-NE2 3.22Å; G48-H109 VanDerWaalsContact CA-CE1 3.43Å; G48-H109 WeakPolarHBondContact CA-CE1 3.47Å; G48-H109 PolarHBondContact N-CE1 3.38Å; G48-H109 VanDerWaalsContact N-CE1 3.34Å; G48-H109 PolarHBondContact N-NE2 3.3Å; F98-H109 AromaticContact CD1-CE1 3.89Å; F98-H109 AromaticContact CD1-NE2 3.72Å; N100-H109 PolarHBondContact OD1-ND1 3.46Å; H109-T150 PolarHBondContact CD2-OG1 3.17Å; H109-T150 WeakPolarHBondContact O-CB 3.18Å; H109-T150 PolarHBondContact O-N 3.33Å; H109-T150 PolarHBondContact O-OG1 3.05Å
110	L	85	Confident	78.5	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	134	-177.5	-48.7	-179.5	0	0	0	110.2	F98 F99 V101 L108 L112 V149 V157 I159 I169	F98-L110 WeakPolarHBondContact CA-O 3.27Å; F99-L110 PolarHBondContact N-O 3.48Å; F99-L110 PolarHBondContact O-N 3Å; V101-L110 HydrophobicContact CB-CD1 4.45Å; V101-L110 HydrophobicContact CG1-CD1 3.69Å; V101-L110 HydrophobicContact CG1-CG 4.33Å; V101-L110 HydrophobicContact CG2-CD1 3.83Å; V101-L110 HydrophobicContact CG2-CD2 3.83Å; V101-L110 HydrophobicContact CG2-CG 3.85Å; L108-L110 HydrophobicContact CB-CD2 4.37Å; L110-L112 HydrophobicContact CB-CD2 4.1Å; L110-L112 HydrophobicContact CB-CG 4.15Å; L110-V149 HydrophobicContact CD2-CG2 3.99Å; L110-V157 HydrophobicContact CD1-CG1 4.32Å; L110-V157 HydrophobicContact CD2-CG1 4.46Å; L110-V157 HydrophobicContact CD2-CG2 4.05Å; L110-I159 HydrophobicContact CD1-CD1 4.22Å; L110-I169 HydrophobicContact CD1-CD1 4.24Å; L110-I169 HydrophobicContact CD1-CG1 4.49Å; L110-I169 HydrophobicContact CD2-CD1 4.49Å; L110-I169 HydrophobicContact CD2-CG1 4.42Å; L110-I169 HydrophobicContact CD2-CG2 4.36Å
111	R	84.4	Confident	77.5	Confident	100 Å²	100	49.8 Å²	49.8	38%	0.377	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	96.1	178.8	-54.1	-166.1	-64.3	-164.6	-1.8	109.2	F98 G147 D148 T150	F98-R111 HydrophobicContact CD1-CB 4.33Å; F98-R111 HydrophobicContact CD1-CG 4.02Å; F98-R111 HydrophobicContact CE1-CB 4.12Å; F98-R111 HydrophobicContact CE1-CG 3.93Å; R111-G147 WeakPolarHBondContact O-CA 3.3Å; R111-D148 IonicContact CZ-OD2 3.05Å; R111-D148 PolarHBondContact N-O 2.89Å; R111-D148 IonicContact NE-OD1 2.73Å; R111-D148 IonicContact NE-OD2 3.18Å; R111-D148 PolarHBondContact NE-OD2 2.94Å; R111-D148 IonicContact NH2-OD1 2.65Å; R111-D148 IonicContact NH2-OD2 3.16Å; R111-D148 PolarHBondContact NH2-OD2 3.04Å; R111-D148 PolarHBondContact O-N 3.12Å; R111-D148 VanDerWaalsContact O-N 3.11Å; R111-T150 WeakPolarHBondContact CD-OG1 3.46Å; R111-T150 WeakPolarHBondContact CG-OG1 3.01Å
112	L	81.9	Confident	76.5	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	135.1	-165.3	-54.3	-179.5	0	0	0	112.2	H96 L97 F99 L110 F145 V157 I159	H96-L112 CarbonylContact C-O 3.51Å; H96-L112 WeakPolarHBondContact CA-O 3.45Å; L97-L112 HydrophobicContact CB-CB 4.41Å; L97-L112 PolarHBondContact N-O 3.1Å; L97-L112 WeakPolarHBondContact O-CB 3.49Å; L97-L112 PolarHBondContact O-N 3.5Å; F99-L112 HydrophobicContact CD2-CD1 3.6Å; F99-L112 HydrophobicContact CE2-CD1 3.89Å; L110-L112 HydrophobicContact CB-CD2 4.1Å; L110-L112 HydrophobicContact CB-CG 4.15Å; L112-F145 HydrophobicContact CB-CB 3.91Å; L112-F145 HydrophobicContact CB-CD1 4.44Å; L112-F145 HydrophobicContact CB-CG 4.37Å; L112-V157 HydrophobicContact CD2-CB 3.78Å; L112-V157 HydrophobicContact CD2-CG1 3.54Å; L112-I159 HydrophobicContact CD1-CD1 3.46Å; L112-I159 VanDerWaalsContact CD1-CD1 3.46Å; L112-I159 HydrophobicContact CD1-CG1 3.58Å; L112-I159 HydrophobicContact CD2-CG1 4.41Å
113	K	82.9	Confident	76.3	Confident	131 Å²	131	49.1 Å²	49.1	57%	0.57	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-116.2	137.8	178.7	179.6	-174.4	168.5	-163.1	0	109.2	N115 F145 T146	K113-N115 PolarHBondContact O-N 2.8Å; K113-F145 CarbonylContact O-C 3.53Å; K113-F145 VanDerWaalsContact O-CA 3.23Å; K113-F145 WeakPolarHBondContact O-CA 3.35Å; K113-F145 WeakPolarHBondContact O-CB 3.48Å; K113-T146 PolarHBondContact N-O 3.29Å; K113-T146 PolarHBondContact O-N 3.47Å
114	A	77.4	Confident	76.6	Confident	11 Å²	11	49.2 Å²	49.2	9%	0.091	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	123.3	-179.9	0	0	0	0	0	111.2	Q95 R116 V144 F145	Q95-A114 HydrophobicContact CB-CB 4.36Å; Q95-A114 PolarHBondContact O-N 3.23Å; A114-R116 HydrophobicContact CB-CG 4.29Å; A114-R116 PolarHBondContact O-N 2.74Å; A114-R116 VanDerWaalsContact O-N 3.14Å; A114-V144 WeakPolarHBondContact CA-O 3.28Å; A114-F145 VanDerWaalsContact CA-CD1 3.46Å; A114-F145 HydrophobicContact CB-CD1 4.02Å; A114-F145 HydrophobicContact CB-CE1 3.85Å
115	N	74.5	Confident	77.4	Confident	18 Å²	18	45.7 Å²	45.7	10%	0.096	23%	0.233	C	C	.	.			trans	-76.8	103.8	174.7	-174.9	-13.4	0	0	0	108.6	K113 R117 L118 V144 T146 N282 D285	K113-N115 PolarHBondContact O-N 2.8Å; N115-R117 PolarHBondContact OD1-N 2.85Å; N115-L118 PolarHBondContact OD1-N 3.19Å; N115-L118 VanDerWaalsContact OD1-N 3.1Å; N115-V144 PolarHBondContact N-O 3.38Å; N115-T146 HydrophobicContact CB-CG2 4.11Å; N115-N282 WeakPolarHBondContact CB-OD1 3.46Å; N115-N282 PolarHBondContact ND2-OD1 3.41Å; N115-D285 PolarHBondContact ND2-OD2 3.19Å
116	R	70.4	Confident	78.6	Confident	169 Å²	169	42.5 Å²	42.5	64%	0.638	20%	0.199	S	C	*	.			trans	-98.6	2.9	-176.9	-66.8	177.8	176.8	-166.8	-2.7	113.2	A114 F457	A114-R116 HydrophobicContact CB-CG 4.29Å; A114-R116 PolarHBondContact O-N 2.74Å; A114-R116 VanDerWaalsContact O-N 3.14Å; R116-F457 WeakPolarHBondContact O-CE1 3.27Å
117	R	71.9	Confident	79.1	Confident	81 Å²	81	39 Å²	39	31%	0.306	18%	0.182	S	C	.	.	S	Bend	trans	-108.1	-15.4	177.8	-83.1	-163.3	155.5	-145.5	-14	115.1	N115 V119 N298 D455 F457	N115-R117 PolarHBondContact OD1-N 2.85Å; R117-V119 PolarHBondContact O-N 3.06Å; R117-V119 VanDerWaalsContact O-N 3.07Å; R117-N298 WeakPolarHBondContact CD-OD1 3.43Å; R117-N298 PolarHBondContact NH1-OD1 3.24Å; R117-N298 VanDerWaalsContact NH1-OD1 3.1Å; R117-D455 IonicContact CZ-OD2 2.86Å; R117-D455 IonicContact NH1-OD2 3.18Å; R117-D455 IonicContact NH2-OD1 3.67Å; R117-D455 PolarHBondContact NH2-OD1 3Å; R117-D455 IonicContact NH2-OD2 3.1Å; R117-D455 PolarHBondContact NH2-OD2 2.91Å; R117-F457 HydrophobicContact CB-CE2 4.4Å; R117-F457 HydrophobicContact CB-CZ 4.35Å; R117-F457 HydrophobicContact CG-CD2 4.45Å; R117-F457 HydrophobicContact CG-CE2 4.23Å; R117-F457 HydrophobicContact CG-CZ 4.38Å; R117-F457 WeakPolarHBondContact O-CZ 3.05Å
118	L	79	Confident	79.3	Confident	1 Å²	1	34.3 Å²	34.3	1%	0.005	16%	0.161	C	C	.	.	S	Bend	trans	-59.4	-19	174.9	-173.3	63.4	0	0	0	115.2	N115 V144 M281 N282 D285 L301	N115-L118 PolarHBondContact OD1-N 3.19Å; N115-L118 VanDerWaalsContact OD1-N 3.1Å; L118-V144 HydrophobicContact CD2-CG1 3.83Å; L118-M281 HydrophobicContact CD1-CB 4.06Å; L118-N282 HydrophobicContact CD2-CB 3.62Å; L118-D285 HydrophobicContact CD1-CB 3.94Å; L118-L301 HydrophobicContact CG-CD1 4.4Å; L118-L301 VanDerWaalsContact O-CB 3.31Å; L118-L301 WeakPolarHBondContact O-CB 3.34Å; L118-L301 WeakPolarHBondContact O-CG 3.33Å; L118-L301 PolarHBondContact O-N 3.02Å
119	V	78.7	Confident	79.1	Confident	8 Å²	8	36.7 Å²	36.7	5%	0.048	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	120.3	-171.9	-173	0	0	0	0	111.5	R117 A123 I139 R141 L278 L301 F457	R117-V119 PolarHBondContact O-N 3.06Å; R117-V119 VanDerWaalsContact O-N 3.07Å; V119-A123 HydrophobicContact CG1-CB 3.73Å; V119-I139 HydrophobicContact CG1-CB 4.07Å; V119-I139 HydrophobicContact CG1-CD1 4.3Å; V119-I139 HydrophobicContact CG1-CG2 3.76Å; V119-I139 HydrophobicContact CG2-CG2 4.11Å; V119-R141 HydrophobicContact CB-CG 4.09Å; V119-R141 HydrophobicContact CG1-CG 4.25Å; V119-R141 HydrophobicContact CG2-CG 4.29Å; V119-R141 PolarHBondContact O-NH1 2.78Å; V119-L278 HydrophobicContact CG2-CD2 4.33Å; V119-L301 WeakPolarHBondContact CA-O 3.15Å; V119-L301 HydrophobicContact CG2-CB 4.4Å; V119-L301 HydrophobicContact CG2-CD1 4.48Å; V119-F457 VanDerWaalsContact O-CE1 3.32Å; V119-F457 WeakPolarHBondContact O-CE1 3.16Å; V119-F457 WeakPolarHBondContact O-CZ 3.35Å
120	A	77.1	Confident	78.5	Confident	5 Å²	5	39.1 Å²	39.1	4%	0.041	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	141.9	-177.1	0	0	0	0	0	113	G122 A123 R141 V300 L301 V302 P456	A120-G122 PolarHBondContact O-N 3.04Å; A120-A123 WeakPolarHBondContact O-CB 3.11Å; A120-A123 PolarHBondContact O-N 2.91Å; A120-A123 VanDerWaalsContact O-N 3.13Å; A120-R141 VanDerWaalsContact O-CZ 3.28Å; A120-R141 PolarHBondContact O-NH1 3.45Å; A120-R141 VanDerWaalsContact O-NH1 3.13Å; A120-R141 PolarHBondContact O-NH2 2.83Å; A120-V300 HydrophobicContact CB-CG1 3.75Å; A120-L301 PolarHBondContact N-O 3.18Å; A120-V302 HydrophobicContact CB-CG1 3.65Å; A120-P456 HydrophobicContact CB-CB 4.4Å
121	P	65.3	Low	77.8	Confident	48 Å²	48	45.1 Å²	45.1	31%	0.312	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57	109.2	-179.9	-24.8	36.1	0	0	0	113.9	P456 F457	P121-P456 WeakPolarHBondContact CD-O 3.4Å; P121-F457 HydrophobicContact CG-CD1 3.83Å; P121-F457 HydrophobicContact CG-CE1 4.23Å
122	G	65.8	Low	77.1	Confident	39 Å²	39	47.1 Å²	47.1	40%	0.402	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	116.3	-20.9	-178.4	0	0	0	0	0	114.8	A120	A120-G122 PolarHBondContact O-N 3.04Å
123	A	75.5	Confident	76.9	Confident	2 Å²	2	52.4 Å²	52.4	2%	0.017	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-50.1	145	-176.8	0	0	0	0	0	115.5	V119 A120 I139 L301 V302	V119-A123 HydrophobicContact CG1-CB 3.73Å; A120-A123 WeakPolarHBondContact O-CB 3.11Å; A120-A123 PolarHBondContact O-N 2.91Å; A120-A123 VanDerWaalsContact O-N 3.13Å; A123-I139 HydrophobicContact CB-CD1 4.04Å; A123-I139 PolarHBondContact O-N 2.94Å; A123-L301 WeakPolarHBondContact CB-O 3Å; A123-V302 VanDerWaalsContact CA-O 3.27Å; A123-V302 WeakPolarHBondContact CA-O 3.39Å; A123-V302 WeakPolarHBondContact CB-O 3.28Å
124	F	81.1	Confident	76.5	Confident	10 Å²	10	51.7 Å²	51.7	4%	0.044	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	159.5	-171.7	57.7	-87	0	0	0	112.6	E126 K136 E137 R303 M304 E344	F124-E126 HydrophobicContact CD2-CB 4.22Å; F124-E126 HydrophobicContact CE2-CB 4.17Å; F124-E126 WeakPolarHBondContact CE2-OE2 3.25Å; F124-K136 HydrophobicContact CB-CG 4.28Å; F124-K136 HydrophobicContact CD2-CD 3.7Å; F124-K136 VanDerWaalsContact CD2-CE 3.45Å; F124-K136 HydrophobicContact CD2-CG 3.64Å; F124-K136 VanDerWaalsContact CE1-NZ 3.34Å; F124-K136 HydrophobicContact CE2-CD 3.76Å; F124-K136 HydrophobicContact CE2-CG 4.22Å; F124-K136 VanDerWaalsContact CE2-NZ 3.34Å; F124-K136 HydrophobicContact CG-CD 4.18Å; F124-K136 HydrophobicContact CG-CG 3.99Å; F124-K136 HydrophobicContact CZ-CD 4.31Å; F124-K136 VanDerWaalsContact CZ-CE 3.47Å; F124-E137 CarbonylContact C-O 3.59Å; F124-E137 WeakPolarHBondContact CA-O 3.42Å; F124-E137 WeakPolarHBondContact CB-O 3.28Å; F124-R303 HydrophobicContact CD2-CG 4.42Å; F124-R303 HydrophobicContact CE1-CG 4.46Å; F124-R303 HydrophobicContact CE2-CG 3.66Å; F124-R303 HydrophobicContact CZ-CB 4.37Å; F124-R303 HydrophobicContact CZ-CG 3.66Å; F124-M304 PolarHBondContact O-N 2.91Å; F124-E344 VanDerWaalsContact CE1-CD 3.42Å; F124-E344 HydrophobicContact CE1-CG 3.72Å; F124-E344 WeakPolarHBondContact CE1-OE1 3.25Å; F124-E344 HydrophobicContact CZ-CG 4.14Å; F124-E344 VanDerWaalsContact CZ-OE1 3.27Å; F124-E344 WeakPolarHBondContact CZ-OE1 3.03Å
125	V	84.8	Confident	76.4	Confident	0 Å²	0	53 Å²	53	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	137.9	165.2	-170.1	0	0	0	0	108.9	K136 E137 I139 Q274 M304 M306	V125-K136 CarbonylContact O-C 3.53Å; V125-K136 WeakPolarHBondContact O-CA 3.33Å; V125-E137 PolarHBondContact N-O 3.02Å; V125-E137 PolarHBondContact O-N 2.93Å; V125-I139 HydrophobicContact CG2-CD1 4.4Å; V125-I139 HydrophobicContact CG2-CG1 3.64Å; V125-Q274 HydrophobicContact CG2-CG 4.1Å; V125-M304 CarbonylContact C-O 3.55Å; V125-M304 VanDerWaalsContact CA-O 3.31Å; V125-M304 WeakPolarHBondContact CA-O 3.28Å; V125-M304 HydrophobicContact CG1-CG 4.41Å; V125-M304 HydrophobicContact CG1-SD 4.26Å; V125-M304 HydrophobicContact CG2-CB 4.22Å; V125-M304 HydrophobicContact CG2-CG 4.49Å; V125-M304 HydrophobicContact CG2-SD 3.86Å; V125-M306 HydrophobicContact CG1-CE 3.93Å; V125-M306 HydrophobicContact CG1-CG 3.7Å
126	E	87.8	Confident	76.7	Confident	5 Å²	5	56.2 Å²	56.2	2%	0.023	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	128.7	-179.9	-169.4	-175.8	125.5	0	0	109.3	F124 Q128 E133 A135 R303 M304 I305 M306	F124-E126 HydrophobicContact CD2-CB 4.22Å; F124-E126 HydrophobicContact CE2-CB 4.17Å; F124-E126 WeakPolarHBondContact CE2-OE2 3.25Å; E126-Q128 PolarHBondContact OE1-NE2 2.83Å; E126-E133 HydrophobicContact CG-CG 3.92Å; E126-A135 CarbonylContact C-O 3.54Å; E126-A135 WeakPolarHBondContact CA-O 3.39Å; E126-R303 VanDerWaalsContact CD-NH2 3.29Å; E126-R303 IonicContact OE1-NH2 2.72Å; E126-R303 PolarHBondContact OE1-NH2 3.06Å; E126-R303 IonicContact OE2-CZ 3.43Å; E126-R303 IonicContact OE2-NE 3.22Å; E126-R303 PolarHBondContact OE2-NE 2.86Å; E126-R303 IonicContact OE2-NH2 2.83Å; E126-R303 PolarHBondContact OE2-NH2 2.98Å; E126-M304 PolarHBondContact N-O 3.33Å; E126-I305 HydrophobicContact CB-CG1 4.34Å; E126-I305 WeakPolarHBondContact O-CA 3.19Å; E126-M306 PolarHBondContact O-N 3.46Å
127	W	85.4	Confident	77.1	Confident	40 Å²	40	51.7 Å²	51.7	15%	0.152	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	110.8	178.8	-67.7	87.5	0	0	0	109.9	K134 A135 I265 K270 V273 M306	W127-K134 PolarHBondContact O-N 2.82Å; W127-A135 HydrophobicContact CB-CB 4.31Å; W127-A135 PolarHBondContact N-O 2.75Å; W127-I265 HydrophobicContact CH2-CG2 4.44Å; W127-I265 HydrophobicContact CZ3-CD1 4.38Å; W127-I265 HydrophobicContact CZ3-CG2 3.98Å; W127-K270 HydrophobicContact CE3-CD 4.49Å; W127-K270 HydrophobicContact CH2-CB 3.86Å; W127-K270 HydrophobicContact CH2-CD 4.3Å; W127-K270 HydrophobicContact CH2-CG 3.9Å; W127-K270 WeakPolarHBondContact CH2-O 3.4Å; W127-K270 HydrophobicContact CZ3-CB 4.27Å; W127-K270 HydrophobicContact CZ3-CD 3.88Å; W127-K270 HydrophobicContact CZ3-CG 3.78Å; W127-V273 HydrophobicContact CH2-CG1 4.09Å; W127-M306 HydrophobicContact CD2-CB 3.73Å; W127-M306 HydrophobicContact CD2-CG 3.9Å; W127-M306 HydrophobicContact CE3-CB 3.37Å; W127-M306 HydrophobicContact CE3-CG 3.85Å; W127-M306 HydrophobicContact CG-CB 4.34Å; W127-M306 HydrophobicContact CH2-CB 4.23Å; W127-M306 HydrophobicContact CH2-CG 3.87Å; W127-M306 HydrophobicContact CH2-SD 4.31Å; W127-M306 HydrophobicContact CZ2-CG 3.92Å; W127-M306 HydrophobicContact CZ3-CB 3.64Å; W127-M306 HydrophobicContact CZ3-CG 3.82Å; W127-M306 HydrophobicContact CZ3-SD 4.5Å
128	Q	85.4	Confident	77.1	Confident	14 Å²	14	55.6 Å²	55.6	7%	0.065	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	125.8	178.4	-67.7	-177.6	-3.3	0	0	110.5	E126 E132 I305 M306 G308	E126-Q128 PolarHBondContact OE1-NE2 2.83Å; Q128-E132 WeakPolarHBondContact CA-O 3.43Å; Q128-I305 HydrophobicContact CB-CG2 4.46Å; Q128-I305 HydrophobicContact CG-CG2 3.89Å; Q128-M306 PolarHBondContact N-O 3.36Å; Q128-G308 VanDerWaalsContact O-CA 3.28Å; Q128-G308 WeakPolarHBondContact O-CA 2.98Å; Q128-G308 PolarHBondContact O-N 2.02Å
129	E	80.3	Confident	76.7	Confident	61 Å²	61	55.7 Å²	55.7	29%	0.285	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	140.7	172	-76.7	-178.7	-178.5	0	0	109.1	F131 E132 K134 K270	E129-F131 PolarHBondContact O-N 3.11Å; E129-E132 PolarHBondContact N-O 2.83Å; E129-E132 PolarHBondContact O-N 3.05Å; E129-K134 HydrophobicContact CB-CD 3.81Å; E129-K134 VanDerWaalsContact CB-CE 3.47Å; E129-K134 HydrophobicContact CB-CG 4.41Å; E129-K134 VanDerWaalsContact CB-NZ 3.32Å; E129-K134 HydrophobicContact CG-CD 4.45Å; E129-K134 WeakPolarHBondContact OE2-CD 3.34Å; E129-K134 IonicContact OE2-NZ 3.75Å; E129-K134 PolarHBondContact OE2-NZ 2.83Å; E129-K270 IonicContact OE1-NZ 3.96Å; E129-K270 PolarHBondContact OE1-NZ 2.73Å
130	D	72.9	Confident	76	Confident	78 Å²	78	61 Å²	61	42%	0.417	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.8	27.4	-175.4	-64.9	-73.8	0	0	0	114.8	E132 K134 R310	D130-E132 VanDerWaalsContact C-N 3.3Å; D130-K134 IonicContact OD2-NZ 2.68Å; D130-R310 WeakPolarHBondContact OD1-CD 3.42Å; D130-R310 IonicContact OD1-CZ 3.27Å; D130-R310 IonicContact OD1-NE 3.28Å; D130-R310 IonicContact OD1-NH1 2.76Å; D130-R310 PolarHBondContact OD1-NH1 2.85Å
131	F	72.3	Confident	75.3	Confident	127 Å²	127	63.2 Å²	63.2	56%	0.557	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.2	13.9	-174.1	-49.5	-89.2	0	0	0	115.5	E129 Q311	E129-F131 PolarHBondContact O-N 3.11Å; F131-Q311 HydrophobicContact CD1-CB 4.07Å; F131-Q311 HydrophobicContact CD1-CG 3.88Å; F131-Q311 HydrophobicContact CE1-CB 3.76Å; F131-Q311 HydrophobicContact CE1-CG 3.69Å; F131-Q311 HydrophobicContact CZ-CB 4.21Å
132	E	68.8	Low	75.3	Confident	142 Å²	142	66 Å²	66	66%	0.664	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.7	148.7	173.6	-64.3	-171.9	157	0	0	112.1	Q128 E129 D130 K134	Q128-E132 WeakPolarHBondContact CA-O 3.43Å; E129-E132 PolarHBondContact N-O 2.83Å; E129-E132 PolarHBondContact O-N 3.05Å; D130-E132 VanDerWaalsContact C-N 3.3Å; E132-K134 PolarHBondContact O-N 2.74Å
133	E	77	Confident	75.5	Confident	110 Å²	110	64.9 Å²	64.9	51%	0.514	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	120.2	172.7	-178.4	-175.2	150.7	0	0	109.7	E126 K136	E126-E133 HydrophobicContact CG-CG 3.92Å; E133-K136 VanDerWaalsContact OE1-CB 3.25Å; E133-K136 WeakPolarHBondContact OE1-CB 3.3Å
134	K	75.7	Confident	75.5	Confident	117 Å²	117	65 Å²	65	51%	0.509	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	-25.8	177.7	-66.5	-165.5	-173.1	165.9	0	114.4	W127 E129 D130 E132	W127-K134 PolarHBondContact O-N 2.82Å; E129-K134 HydrophobicContact CB-CD 3.81Å; E129-K134 VanDerWaalsContact CB-CE 3.47Å; E129-K134 HydrophobicContact CB-CG 4.41Å; E129-K134 VanDerWaalsContact CB-NZ 3.32Å; E129-K134 HydrophobicContact CG-CD 4.45Å; E129-K134 WeakPolarHBondContact OE2-CD 3.34Å; E129-K134 IonicContact OE2-NZ 3.75Å; E129-K134 PolarHBondContact OE2-NZ 2.83Å; D130-K134 IonicContact OD2-NZ 2.68Å; E132-K134 PolarHBondContact O-N 2.74Å
135	A	75.7	Confident	75.5	Confident	38 Å²	38	64.6 Å²	64.6	31%	0.314	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	142.9	175.6	0	0	0	0	0	111.9	E126 W127	E126-A135 CarbonylContact C-O 3.54Å; E126-A135 WeakPolarHBondContact CA-O 3.39Å; W127-A135 HydrophobicContact CB-CB 4.31Å; W127-A135 PolarHBondContact N-O 2.75Å
136	K	80.1	Confident	75.3	Confident	86 Å²	86	65.7 Å²	65.7	37%	0.374	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	119.1	176.6	172.7	160.6	173.6	161.2	0	110	F124 V125 E133 E344	F124-K136 HydrophobicContact CB-CG 4.28Å; F124-K136 HydrophobicContact CD2-CD 3.7Å; F124-K136 VanDerWaalsContact CD2-CE 3.45Å; F124-K136 HydrophobicContact CD2-CG 3.64Å; F124-K136 VanDerWaalsContact CE1-NZ 3.34Å; F124-K136 HydrophobicContact CE2-CD 3.76Å; F124-K136 HydrophobicContact CE2-CG 4.22Å; F124-K136 VanDerWaalsContact CE2-NZ 3.34Å; F124-K136 HydrophobicContact CG-CD 4.18Å; F124-K136 HydrophobicContact CG-CG 3.99Å; F124-K136 HydrophobicContact CZ-CD 4.31Å; F124-K136 VanDerWaalsContact CZ-CE 3.47Å; V125-K136 CarbonylContact O-C 3.53Å; V125-K136 WeakPolarHBondContact O-CA 3.33Å; E133-K136 VanDerWaalsContact OE1-CB 3.25Å; E133-K136 WeakPolarHBondContact OE1-CB 3.3Å; K136-E344 IonicContact NZ-OE1 3.4Å; K136-E344 PolarHBondContact NZ-OE1 2.98Å
137	E	78.9	Confident	75.1	Confident	73 Å²	73	66.4 Å²	66.4	34%	0.341	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	138.6	-169.7	-50.4	-139.5	125.5	0	0	111.6	K62 F124 V125	K62-E137 IonicContact NZ-OE1 3.15Å; K62-E137 PolarHBondContact NZ-OE1 2.89Å; K62-E137 IonicContact NZ-OE2 2.78Å; K62-E137 PolarHBondContact NZ-OE2 2.84Å; F124-E137 CarbonylContact C-O 3.59Å; F124-E137 WeakPolarHBondContact CA-O 3.42Å; F124-E137 WeakPolarHBondContact CB-O 3.28Å; V125-E137 PolarHBondContact N-O 3.02Å; V125-E137 PolarHBondContact O-N 2.93Å
138	R	71.8	Confident	74.9	Confident	163 Å²	163	67 Å²	67	62%	0.615	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.3	138.3	-178.1	-170.5	174.9	179.6	163.8	1.1	112	H140	R138-H140 PolarHBondContact O-N 3.19Å
139	I	70.8	Confident	74.7	Confident	3 Å²	3	66.3 Å²	66.3	2%	0.015	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-68.8	118.3	174.4	-67.5	167.7	0	0	0	109.7	V119 A123 V125 L278 M304	V119-I139 HydrophobicContact CG1-CB 4.07Å; V119-I139 HydrophobicContact CG1-CD1 4.3Å; V119-I139 HydrophobicContact CG1-CG2 3.76Å; V119-I139 HydrophobicContact CG2-CG2 4.11Å; A123-I139 HydrophobicContact CB-CD1 4.04Å; A123-I139 PolarHBondContact O-N 2.94Å; V125-I139 HydrophobicContact CG2-CD1 4.4Å; V125-I139 HydrophobicContact CG2-CG1 3.64Å; I139-L278 HydrophobicContact CG2-CD1 4.13Å; I139-L278 HydrophobicContact CG2-CD2 3.84Å; I139-M304 HydrophobicContact CD1-CB 4.17Å; I139-M304 HydrophobicContact CD1-CE 4.3Å
140	H	63.5	Low	74.7	Confident	119 Å²	119	65 Å²	65	55%	0.551	32%	0.315	S	S	*	.	P	Polyproline II helix	trans	-71.1	141	168.6	-69.7	-91.3	0	0	0	110.3	R138	R138-H140 PolarHBondContact O-N 3.19Å
141	R	61.5	Low	74.6	Confident	53 Å²	53	68.9 Å²	68.9	20%	0.2	34%	0.335	C	S	.	.			trans	-125	-13.8	-169.9	-60.7	172	-155.2	-151.8	-8.3	113.9	V119 A120 C143	V119-R141 HydrophobicContact CB-CG 4.09Å; V119-R141 HydrophobicContact CG1-CG 4.25Å; V119-R141 HydrophobicContact CG2-CG 4.29Å; V119-R141 PolarHBondContact O-NH1 2.78Å; A120-R141 VanDerWaalsContact O-CZ 3.28Å; A120-R141 PolarHBondContact O-NH1 3.45Å; A120-R141 VanDerWaalsContact O-NH1 3.13Å; A120-R141 PolarHBondContact O-NH2 2.83Å; R141-C143 PolarHBondContact O-N 3.01Å
142	D	65.8	Low	74.8	Confident	107 Å²	107	64.6 Å²	64.6	57%	0.572	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	5.5	-162.4	-46.6	-79.9	0	0	0	113.4
143	C	70.8	Confident	74.4	Confident	14 Å²	14	64.1 Å²	64.1	10%	0.095	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131.1	24.7	-175.1	58	0	0	0	0	114.3	A57 R141 F145 S160 N161 C162	A57-C143 HydrophobicContact CB-CB 3.95Å; R141-C143 PolarHBondContact O-N 3.01Å; C143-F145 VanDerWaalsContact C-CE2 3.4Å; C143-S160 CarbonylContact O-C 3.36Å; C143-S160 VanDerWaalsContact O-CA 3.27Å; C143-S160 WeakPolarHBondContact O-CA 3.37Å; C143-S160 WeakPolarHBondContact O-CB 3.44Å; C143-S160 PolarHBondContact O-OG 2.89Å; C143-N161 VanDerWaalsContact CA-OD1 3.26Å; C143-N161 WeakPolarHBondContact CA-OD1 3.32Å; C143-N161 WeakPolarHBondContact CB-OD1 3.48Å; C143-N161 PolarHBondContact O-N 2.86Å; C143-C162 HydrophobicContact CB-CB 3.87Å; C143-C162 WeakPolarHBondContact CB-SG 3.26Å; C143-C162 PolarHBondContact O-SG 2.99Å; C143-C162 VanDerWaalsContact O-SG 3.32Å; C143-C162 WeakPolarHBondContact SG-CB 3.29Å; C143-C162 CovalentContact SG-SG 2.03Å; C143-C162 PolarHBondContact SG-SG 2.82Å
144	V	76.1	Confident	73.8	Confident	5 Å²	5	65.1 Å²	65.1	3%	0.03	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	132.5	174.6	-176.2	0	0	0	0	110.5	A114 N115 L118 L278 N282	A114-V144 WeakPolarHBondContact CA-O 3.28Å; N115-V144 PolarHBondContact N-O 3.38Å; L118-V144 HydrophobicContact CD2-CG1 3.83Å; V144-L278 HydrophobicContact CG2-CB 4.28Å; V144-N282 HydrophobicContact CG1-CB 3.66Å; V144-N282 WeakPolarHBondContact CG1-OD1 3.46Å
145	F	80.1	Confident	73.6	Confident	2 Å²	2	59.8 Å²	59.8	1%	0.009	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	150.4	-168.8	-54.3	-98.4	0	0	0	112.8	L97 L112 K113 A114 C143 I159 N161 N282	L97-F145 HydrophobicContact CD1-CD1 4.17Å; L97-F145 HydrophobicContact CD1-CD2 4.32Å; L97-F145 HydrophobicContact CD1-CE1 3.53Å; L97-F145 HydrophobicContact CD1-CE2 3.68Å; L97-F145 HydrophobicContact CD1-CZ 3.28Å; L97-F145 HydrophobicContact CG-CD1 4.29Å; L97-F145 HydrophobicContact CG-CE1 3.74Å; L97-F145 HydrophobicContact CG-CZ 4.01Å; L112-F145 HydrophobicContact CB-CB 3.91Å; L112-F145 HydrophobicContact CB-CD1 4.44Å; L112-F145 HydrophobicContact CB-CG 4.37Å; K113-F145 CarbonylContact O-C 3.53Å; K113-F145 VanDerWaalsContact O-CA 3.23Å; K113-F145 WeakPolarHBondContact O-CA 3.35Å; K113-F145 WeakPolarHBondContact O-CB 3.48Å; A114-F145 VanDerWaalsContact CA-CD1 3.46Å; A114-F145 HydrophobicContact CB-CD1 4.02Å; A114-F145 HydrophobicContact CB-CE1 3.85Å; C143-F145 VanDerWaalsContact C-CE2 3.4Å; F145-I159 PolarHBondContact N-O 3.09Å; F145-I159 PolarHBondContact O-N 3.21Å; F145-N161 HydrophobicContact CE2-CB 4.45Å; F145-N161 WeakPolarHBondContact CE2-OD1 3.3Å; F145-N282 PolarHBondContact O-ND2 3.21Å
146	T	81.6	Confident	73.8	Confident	22 Å²	22	58.9 Å²	58.9	14%	0.135	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	159.7	164.6	70.4	0	0	0	0	110.8	K113 N115 V157 A158 N282 E286	K113-T146 PolarHBondContact N-O 3.29Å; K113-T146 PolarHBondContact O-N 3.47Å; N115-T146 HydrophobicContact CB-CG2 4.11Å; T146-V157 CarbonylContact C-O 3.55Å; T146-V157 WeakPolarHBondContact CA-O 3.3Å; T146-A158 HydrophobicContact CG2-CB 4.42Å; T146-N282 WeakPolarHBondContact CG2-ND2 3.08Å; T146-N282 VanDerWaalsContact CG2-OD1 3.25Å; T146-N282 WeakPolarHBondContact CG2-OD1 3.16Å; T146-E286 WeakPolarHBondContact CB-OE1 3.39Å; T146-E286 HydrophobicContact CG2-CG 3.37Å; T146-E286 VanDerWaalsContact CG2-OE1 3.26Å; T146-E286 WeakPolarHBondContact CG2-OE1 3.37Å; T146-E286 PolarHBondContact OG1-OE1 2.02Å
147	G	82.3	Confident	73.8	Confident	20 Å²	20	54.9 Å²	54.9	21%	0.206	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.2	-159.4	-172.7	0	0	0	0	0	114.2	R111 S156 V157	R111-G147 WeakPolarHBondContact O-CA 3.3Å; G147-S156 CarbonylContact O-C 3.45Å; G147-S156 WeakPolarHBondContact O-CA 3.08Å; G147-V157 PolarHBondContact N-O 3.31Å; G147-V157 PolarHBondContact O-N 3.23Å
148	D	81.8	Confident	73.8	Confident	52 Å²	52	51.5 Å²	51.5	28%	0.278	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	168.5	-168	70.5	-84.1	0	0	0	113	R111	R111-D148 IonicContact CZ-OD2 3.05Å; R111-D148 PolarHBondContact N-O 2.89Å; R111-D148 IonicContact NE-OD1 2.73Å; R111-D148 IonicContact NE-OD2 3.18Å; R111-D148 PolarHBondContact NE-OD2 2.94Å; R111-D148 IonicContact NH2-OD1 2.65Å; R111-D148 IonicContact NH2-OD2 3.16Å; R111-D148 PolarHBondContact NH2-OD2 3.04Å; R111-D148 PolarHBondContact O-N 3.12Å; R111-D148 VanDerWaalsContact O-N 3.11Å
149	V	81.8	Confident	74.1	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.006	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	129.8	173.7	-174.1	0	0	0	0	109.7	L108 L110 D151 M152 A155 V157 I169	L108-V149 HydrophobicContact CB-CG1 3.96Å; L108-V149 HydrophobicContact CD1-CG1 4.34Å; L108-V149 HydrophobicContact CD2-CG1 4.18Å; L108-V149 HydrophobicContact CG-CG1 4.39Å; L110-V149 HydrophobicContact CD2-CG2 3.99Å; V149-D151 PolarHBondContact O-N 2.98Å; V149-M152 HydrophobicContact CB-CB 4.3Å; V149-M152 HydrophobicContact CG1-CG 4.5Å; V149-M152 HydrophobicContact CG1-SD 4.18Å; V149-M152 PolarHBondContact O-N 3.17Å; V149-M152 VanDerWaalsContact O-N 3.11Å; V149-A155 HydrophobicContact CB-CB 3.77Å; V149-A155 HydrophobicContact CG2-CB 3.81Å; V149-V157 HydrophobicContact CG2-CG2 3.56Å; V149-I169 HydrophobicContact CG2-CG2 4.27Å
150	T	79.4	Confident	74.5	Confident	34 Å²	34	43.8 Å²	43.8	21%	0.209	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	135.9	178.8	-51.4	0	0	0	0	110.9	H109 R111 M152	H109-T150 PolarHBondContact CD2-OG1 3.17Å; H109-T150 WeakPolarHBondContact O-CB 3.18Å; H109-T150 PolarHBondContact O-N 3.33Å; H109-T150 PolarHBondContact O-OG1 3.05Å; R111-T150 WeakPolarHBondContact CD-OG1 3.46Å; R111-T150 WeakPolarHBondContact CG-OG1 3.01Å; T150-M152 PolarHBondContact O-N 2.94Å
151	D	71.4	Confident	75.3	Confident	158 Å²	158	38.7 Å²	38.7	85%	0.845	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.6	12.4	-176.3	-54.7	-38.2	0	0	0	116.5	V149	V149-D151 PolarHBondContact O-N 2.98Å
152	M	76.5	Confident	75.9	Confident	37 Å²	37	36.6 Å²	36.6	18%	0.182	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	98.7	173.9	-62	-176.7	-173.7	0	0	111.6	L108 V149 T150 E154 A155 T171	L108-M152 HydrophobicContact CD2-CE 3.76Å; L108-M152 HydrophobicContact CD2-SD 4.42Å; V149-M152 HydrophobicContact CB-CB 4.3Å; V149-M152 HydrophobicContact CG1-CG 4.5Å; V149-M152 HydrophobicContact CG1-SD 4.18Å; V149-M152 PolarHBondContact O-N 3.17Å; V149-M152 VanDerWaalsContact O-N 3.11Å; T150-M152 PolarHBondContact O-N 2.94Å; M152-E154 PolarHBondContact O-N 2.7Å; M152-A155 HydrophobicContact CB-CB 3.55Å; M152-A155 WeakPolarHBondContact O-CB 3.39Å; M152-A155 PolarHBondContact O-N 2.79Å; M152-T171 HydrophobicContact SD-CG2 4.12Å
153	P	60.7	Low	76	Confident	132 Å²	132	32.5 Å²	32.5	86%	0.857	19%	0.187	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-76.3	-15.5	-170.6	30.1	-35.8	0	0	0	115.5
154	E	64.2	Low	76	Confident	131 Å²	131	31.9 Å²	31.9	61%	0.612	18%	0.183	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-95.8	-4	175.7	-64.7	178.7	-172	0	0	112.5	M152 R170	M152-E154 PolarHBondContact O-N 2.7Å; E154-R170 PolarHBondContact O-NE 2.93Å; E154-R170 PolarHBondContact O-NH2 2.81Å
155	A	71.3	Confident	76.1	Confident	6 Å²	6	31.6 Å²	31.6	5%	0.05	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	123.1	-175.1	0	0	0	0	0	112.4	V149 M152 R170	V149-A155 HydrophobicContact CB-CB 3.77Å; V149-A155 HydrophobicContact CG2-CB 3.81Å; M152-A155 HydrophobicContact CB-CB 3.55Å; M152-A155 WeakPolarHBondContact O-CB 3.39Å; M152-A155 PolarHBondContact O-N 2.79Å; A155-R170 WeakPolarHBondContact CA-O 3.4Å; A155-R170 WeakPolarHBondContact CB-O 3.37Å
156	S	79.4	Confident	75.7	Confident	19 Å²	19	32.1 Å²	32.1	13%	0.133	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	156	175.6	58.2	0	0	0	0	111.5	G147 R170	G147-S156 CarbonylContact O-C 3.45Å; G147-S156 WeakPolarHBondContact O-CA 3.08Å; S156-R170 WeakPolarHBondContact O-CB 3.18Å; S156-R170 PolarHBondContact O-N 2.95Å; S156-R170 PolarHBondContact OG-NE 2.63Å
157	V	81.2	Confident	74.9	Confident	1 Å²	1	31.1 Å²	31.1	1%	0.006	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	127.8	-175.3	-170.1	0	0	0	0	109.2	L110 L112 T146 G147 V149 I159 I169	L110-V157 HydrophobicContact CD1-CG1 4.32Å; L110-V157 HydrophobicContact CD2-CG1 4.46Å; L110-V157 HydrophobicContact CD2-CG2 4.05Å; L112-V157 HydrophobicContact CD2-CB 3.78Å; L112-V157 HydrophobicContact CD2-CG1 3.54Å; T146-V157 CarbonylContact C-O 3.55Å; T146-V157 WeakPolarHBondContact CA-O 3.3Å; G147-V157 PolarHBondContact N-O 3.31Å; G147-V157 PolarHBondContact O-N 3.23Å; V149-V157 HydrophobicContact CG2-CG2 3.56Å; V157-I159 HydrophobicContact CG1-CG1 4.39Å; V157-I159 HydrophobicContact CG1-CG2 3.89Å; V157-I169 HydrophobicContact CG1-CG1 3.89Å; V157-I169 HydrophobicContact CG2-CG2 4.47Å
158	A	77.4	Confident	74.5	Confident	3 Å²	3	30.3 Å²	30.3	3%	0.025	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	91.6	-177.4	0	0	0	0	0	109.2	T146 G167 L168 I283 E286	T146-A158 HydrophobicContact CG2-CB 4.42Å; A158-G167 WeakPolarHBondContact O-CA 3.47Å; A158-L168 PolarHBondContact N-O 3.14Å; A158-L168 PolarHBondContact O-N 2.03Å; A158-I283 HydrophobicContact CB-CG1 4.05Å; A158-E286 HydrophobicContact CB-CB 4.19Å; A158-E286 HydrophobicContact CB-CG 3.92Å
159	I	79.3	Confident	74.3	Confident	1 Å²	1	27.9 Å²	27.9	1%	0.005	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	151.4	-172.9	74.1	170.8	0	0	0	114.2	L110 L112 F145 V157 L165 A166 I178 N282	L110-I159 HydrophobicContact CD1-CD1 4.22Å; L112-I159 HydrophobicContact CD1-CD1 3.46Å; L112-I159 VanDerWaalsContact CD1-CD1 3.46Å; L112-I159 HydrophobicContact CD1-CG1 3.58Å; L112-I159 HydrophobicContact CD2-CG1 4.41Å; F145-I159 PolarHBondContact N-O 3.09Å; F145-I159 PolarHBondContact O-N 3.21Å; V157-I159 HydrophobicContact CG1-CG1 4.39Å; V157-I159 HydrophobicContact CG1-CG2 3.89Å; I159-L165 HydrophobicContact CD1-CB 4.41Å; I159-L165 HydrophobicContact CD1-CD1 4.24Å; I159-L165 HydrophobicContact CD1-CD2 4.01Å; I159-L165 HydrophobicContact CD1-CG 4.45Å; I159-A166 CarbonylContact C-O 3.53Å; I159-A166 WeakPolarHBondContact CA-O 3.05Å; I159-A166 VanDerWaalsContact CB-O 3.28Å; I159-A166 WeakPolarHBondContact CB-O 3.46Å; I159-I178 HydrophobicContact CG2-CG2 4.24Å; I159-N282 PolarHBondContact N-ND2 2.02Å
160	S	77.7	Confident	73.9	Confident	2 Å²	2	30 Å²	30	1%	0.014	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	155.7	167.6	179.8	0	0	0	0	111.2	C143 C162 L165 A166 T279	C143-S160 CarbonylContact O-C 3.36Å; C143-S160 VanDerWaalsContact O-CA 3.27Å; C143-S160 WeakPolarHBondContact O-CA 3.37Å; C143-S160 WeakPolarHBondContact O-CB 3.44Å; C143-S160 PolarHBondContact O-OG 2.89Å; S160-C162 PolarHBondContact OG-N 2.87Å; S160-C162 VanDerWaalsContact OG-N 3.15Å; S160-C162 PolarHBondContact OG-SG 2.66Å; S160-L165 WeakPolarHBondContact O-CA 3.41Å; S160-A166 PolarHBondContact N-O 3.18Å; S160-A166 PolarHBondContact O-N 2.79Å; S160-T279 WeakPolarHBondContact CB-OG1 3.07Å
161	N	81.1	Confident	73.7	Confident	12 Å²	12	28.7 Å²	28.7	6%	0.064	16%	0.158	C	C	.	.			trans	-122.2	20.6	167.6	91.7	-36.7	0	0	0	113.6	V55 S56 A57 C143 F145 D163 G164 L165	V55-N161 WeakPolarHBondContact O-CB 3.49Å; V55-N161 PolarHBondContact O-ND2 2.86Å; S56-N161 CarbonylContact C-O 3.6Å; S56-N161 VanDerWaalsContact CA-O 3.3Å; S56-N161 WeakPolarHBondContact CA-O 3.46Å; A57-N161 PolarHBondContact N-O 2.87Å; C143-N161 VanDerWaalsContact CA-OD1 3.26Å; C143-N161 WeakPolarHBondContact CA-OD1 3.32Å; C143-N161 WeakPolarHBondContact CB-OD1 3.48Å; C143-N161 PolarHBondContact O-N 2.86Å; F145-N161 HydrophobicContact CE2-CB 4.45Å; F145-N161 WeakPolarHBondContact CE2-OD1 3.3Å; N161-D163 VanDerWaalsContact C-N 3.31Å; N161-D163 PolarHBondContact O-N 3.04Å; N161-G164 CarbonylContact C-O 3.59Å; N161-G164 VanDerWaalsContact CA-O 3.31Å; N161-G164 WeakPolarHBondContact CA-O 2.98Å; N161-L165 HydrophobicContact CB-CD2 3.89Å
162	C	73.5	Confident	73.5	Confident	9 Å²	9	24.1 Å²	24.1	6%	0.061	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-27.2	-174.8	-54.1	0	0	0	0	113.6	C143 S160 Q186 N275	C143-C162 HydrophobicContact CB-CB 3.87Å; C143-C162 WeakPolarHBondContact CB-SG 3.26Å; C143-C162 PolarHBondContact O-SG 2.99Å; C143-C162 VanDerWaalsContact O-SG 3.32Å; C143-C162 WeakPolarHBondContact SG-CB 3.29Å; C143-C162 CovalentContact SG-SG 2.03Å; C143-C162 PolarHBondContact SG-SG 2.82Å; S160-C162 PolarHBondContact OG-N 2.87Å; S160-C162 VanDerWaalsContact OG-N 3.15Å; S160-C162 PolarHBondContact OG-SG 2.66Å; C162-Q186 PolarHBondContact O-NE2 3.35Å; C162-N275 HydrophobicContact CB-CB 3.95Å; C162-N275 VanDerWaalsContact CB-CG 3.42Å; C162-N275 WeakPolarHBondContact CB-ND2 3.32Å
163	D	68.6	Low	72.9	Confident	21 Å²	21	26.6 Å²	26.6	11%	0.112	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-154	82.1	172.4	178.1	27.5	0	0	0	109.2	N161 P180 G184 R193 H272	N161-D163 VanDerWaalsContact C-N 3.31Å; N161-D163 PolarHBondContact O-N 3.04Å; D163-P180 WeakPolarHBondContact O-CG 3.24Å; D163-G184 PolarHBondContact OD2-N 3.36Å; D163-R193 IonicContact OD1-CZ 2.67Å; D163-R193 VanDerWaalsContact OD1-CZ 3.22Å; D163-R193 IonicContact OD1-NH1 3.69Å; D163-R193 PolarHBondContact OD1-NH1 3.45Å; D163-R193 IonicContact OD1-NH2 3.7Å; D163-R193 PolarHBondContact OD1-NH2 2.68Å; D163-R193 IonicContact OD2-NH2 2.83Å; D163-R193 PolarHBondContact OD2-NH2 2.88Å; D163-H272 IonicContact OD2-CE1 2.66Å; D163-H272 IonicContact OD2-ND1 3.12Å; D163-H272 PolarHBondContact OD2-ND1 3Å
164	G	70.8	Confident	72.9	Confident	1 Å²	1	20.6 Å²	20.6	1%	0.01	11%	0.109	C	C	.	.	S	Bend	trans	72.7	176.7	-165.6	0	0	0	0	0	112.6	S56 N161	S56-G164 PolarHBondContact OG-N 2.96Å; N161-G164 CarbonylContact C-O 3.59Å; N161-G164 VanDerWaalsContact CA-O 3.31Å; N161-G164 WeakPolarHBondContact CA-O 2.98Å
165	L	78.7	Confident	72.9	Confident	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.082	C	C	.	.			trans	-80.1	125.2	174.9	-63	-171	0	0	0	110.3	P41 V55 F99 V101 I159 S160 N161 I178 E179 H195	P41-L165 HydrophobicContact CB-CD1 3.69Å; P41-L165 HydrophobicContact CB-CG 4.44Å; P41-L165 HydrophobicContact CG-CD1 4.16Å; P41-L165 HydrophobicContact CG-CG 4.4Å; V55-L165 HydrophobicContact CB-CD2 4.07Å; V55-L165 HydrophobicContact CB-CG 4.01Å; V55-L165 HydrophobicContact CG1-CG 4.46Å; V55-L165 HydrophobicContact CG2-CD2 4.48Å; V55-L165 HydrophobicContact CG2-CG 4.08Å; F99-L165 HydrophobicContact CB-CD1 4.1Å; F99-L165 HydrophobicContact CD1-CD1 4.18Å; F99-L165 HydrophobicContact CD1-CD2 4.4Å; F99-L165 HydrophobicContact CD2-CD1 4.26Å; F99-L165 HydrophobicContact CD2-CD2 4.1Å; F99-L165 HydrophobicContact CE1-CD2 4.19Å; F99-L165 HydrophobicContact CE2-CD2 3.84Å; F99-L165 HydrophobicContact CG-CD1 3.93Å; F99-L165 HydrophobicContact CG-CD2 4.37Å; F99-L165 HydrophobicContact CZ-CD2 3.89Å; V101-L165 HydrophobicContact CG1-CD1 4.29Å; I159-L165 HydrophobicContact CD1-CB 4.41Å; I159-L165 HydrophobicContact CD1-CD1 4.24Å; I159-L165 HydrophobicContact CD1-CD2 4.01Å; I159-L165 HydrophobicContact CD1-CG 4.45Å; S160-L165 WeakPolarHBondContact O-CA 3.41Å; N161-L165 HydrophobicContact CB-CD2 3.89Å; L165-I178 HydrophobicContact CB-CD1 4.07Å; L165-I178 HydrophobicContact CD1-CD1 4.47Å; L165-E179 WeakPolarHBondContact O-CA 3.46Å; L165-H195 PolarHBondContact N-NE2 2.91Å; L165-H195 PolarHBondContact O-CD2 2.82Å; L165-H195 VanDerWaalsContact O-CD2 3.27Å
166	A	70.4	Confident	72.9	Confident	13 Å²	13	15 Å²	15	11%	0.107	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	134.3	178.4	0	0	0	0	0	111.4	I159 S160 I178 T279 F386	I159-A166 CarbonylContact C-O 3.53Å; I159-A166 WeakPolarHBondContact CA-O 3.05Å; I159-A166 VanDerWaalsContact CB-O 3.28Å; I159-A166 WeakPolarHBondContact CB-O 3.46Å; S160-A166 PolarHBondContact N-O 3.18Å; S160-A166 PolarHBondContact O-N 2.79Å; A166-I178 CarbonylContact C-O 3.59Å; A166-I178 VanDerWaalsContact CA-O 3.28Å; A166-I178 WeakPolarHBondContact CA-O 3.1Å; A166-T279 HydrophobicContact CB-CG2 4.25Å; A166-T279 WeakPolarHBondContact O-CG2 3.13Å; A166-F386 HydrophobicContact CB-CE2 4.09Å; A166-F386 HydrophobicContact CB-CZ 3.91Å
167	G	66.6	Low	72.4	Confident	0 Å²	0	14 Å²	14	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	141.8	-151.7	171.8	0	0	0	0	0	115	A158 F177 I178	A158-G167 WeakPolarHBondContact O-CA 3.47Å; G167-F177 WeakPolarHBondContact O-CA 3.26Å; G167-I178 PolarHBondContact N-O 2.97Å; G167-I178 PolarHBondContact O-N 2.83Å
168	L	72.9	Confident	71.9	Confident	4 Å²	4	14 Å²	14	2%	0.021	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	139.3	-172.9	178.8	64.3	0	0	0	112.7	A158 E175 F177 I283 F390 Y432	A158-L168 PolarHBondContact N-O 3.14Å; A158-L168 PolarHBondContact O-N 2.03Å; L168-E175 HydrophobicContact CD1-CB 4.28Å; L168-F177 HydrophobicContact CB-CD1 4.43Å; L168-F177 HydrophobicContact CB-CE1 4.36Å; L168-F177 HydrophobicContact CD1-CD1 4.11Å; L168-F177 HydrophobicContact CD1-CE1 3.85Å; L168-F177 HydrophobicContact CD1-CZ 4.28Å; L168-I283 HydrophobicContact CB-CD1 4.02Å; L168-I283 HydrophobicContact CB-CG1 3.99Å; L168-I283 HydrophobicContact CB-CG2 4.24Å; L168-I283 HydrophobicContact CD2-CG2 3.75Å; L168-F390 HydrophobicContact CD2-CZ 4.13Å; L168-Y432 HydrophobicContact CD2-CE1 4.19Å
169	I	77.5	Confident	71.5	Confident	0 Å²	0	16 Å²	16	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	116.2	167.3	-61.2	154.4	0	0	0	108	V101 L103 L108 L110 V149 V157 T171 F176 I178	V101-I169 HydrophobicContact CG2-CD1 4Å; L103-I169 HydrophobicContact CD1-CD1 4.37Å; L103-I169 HydrophobicContact CD1-CG2 4.22Å; L108-I169 HydrophobicContact CD1-CG2 4.31Å; L110-I169 HydrophobicContact CD1-CD1 4.24Å; L110-I169 HydrophobicContact CD1-CG1 4.49Å; L110-I169 HydrophobicContact CD2-CD1 4.49Å; L110-I169 HydrophobicContact CD2-CG1 4.42Å; L110-I169 HydrophobicContact CD2-CG2 4.36Å; V149-I169 HydrophobicContact CG2-CG2 4.27Å; V157-I169 HydrophobicContact CG1-CG1 3.89Å; V157-I169 HydrophobicContact CG2-CG2 4.47Å; I169-T171 HydrophobicContact CG2-CG2 4.15Å; I169-F176 PolarHBondContact N-O 2.83Å; I169-F176 PolarHBondContact O-N 3.43Å; I169-I178 HydrophobicContact CD1-CG2 4.18Å
170	R	73.9	Confident	71.1	Confident	45 Å²	45	16.2 Å²	16.2	17%	0.17	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	137.4	173.8	-172.7	175.9	87.2	-178.7	3	109.5	E154 A155 S156 D290 Y432	E154-R170 PolarHBondContact O-NE 2.93Å; E154-R170 PolarHBondContact O-NH2 2.81Å; A155-R170 WeakPolarHBondContact CA-O 3.4Å; A155-R170 WeakPolarHBondContact CB-O 3.37Å; S156-R170 WeakPolarHBondContact O-CB 3.18Å; S156-R170 PolarHBondContact O-N 2.95Å; S156-R170 PolarHBondContact OG-NE 2.63Å; R170-D290 IonicContact CZ-OD2 2.88Å; R170-D290 IonicContact NH1-OD2 3.63Å; R170-D290 PolarHBondContact NH1-OD2 2.68Å; R170-D290 IonicContact NH2-OD2 2.71Å; R170-Y432 HydrophobicContact CG-CE1 4.35Å
171	T	74.4	Confident	70.5	Confident	8 Å²	8	20.6 Å²	20.6	5%	0.049	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	164.8	173.5	69.3	0	0	0	0	110.6	L108 M152 I169 N173 G174	L108-T171 HydrophobicContact CD1-CG2 3.83Å; M152-T171 HydrophobicContact SD-CG2 4.12Å; I169-T171 HydrophobicContact CG2-CG2 4.15Å; T171-N173 PolarHBondContact O-N 3.32Å; T171-N173 PolarHBondContact OG1-N 2.9Å; T171-G174 PolarHBondContact N-O 3.35Å; T171-G174 PolarHBondContact O-N 3.49Å; T171-G174 PolarHBondContact OG1-N 2.93Å; T171-G174 PolarHBondContact OG1-O 2.86Å
172	D	67.9	Low	69.5	Low	61 Å²	61	25.4 Å²	25.4	33%	0.326	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-24.7	174	-38.2	-2.5	0	0	0	113.2	R431	D172-R431 PolarHBondContact O-NH2 2.92Å
173	N	62.8	Low	68.8	Low	90 Å²	90	29.1 Å²	29.1	48%	0.481	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100	-2.7	-174	-61.1	-102.7	0	0	0	113.5	T171	T171-N173 PolarHBondContact O-N 3.32Å; T171-N173 PolarHBondContact OG1-N 2.9Å
174	G	60.4	Low	68.3	Low	5 Å²	5	30.2 Å²	30.2	5%	0.052	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	137.9	176	-179.8	0	0	0	0	0	115.3	T171 F176 H430	T171-G174 PolarHBondContact N-O 3.35Å; T171-G174 PolarHBondContact O-N 3.49Å; T171-G174 PolarHBondContact OG1-N 2.93Å; T171-G174 PolarHBondContact OG1-O 2.86Å; G174-F176 WeakPolarHBondContact O-CD2 3.29Å; G174-F176 WeakPolarHBondContact O-CE2 3.46Å; G174-H430 WeakPolarHBondContact CA-O 3.5Å
175	E	65.4	Low	67.9	Low	6 Å²	6	33.4 Å²	33.4	3%	0.028	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	131.3	178.4	-67.7	160.3	-139.1	0	0	111.4	L168 R200 R431 Y432	L168-E175 HydrophobicContact CD1-CB 4.28Å; E175-R200 HydrophobicContact CB-CB 4.49Å; E175-R200 PolarHBondContact O-N 2.76Å; E175-R200 IonicContact OE1-NH1 2.66Å; E175-R200 WeakPolarHBondContact OE2-CD 3.15Å; E175-R200 IonicContact OE2-CZ 3.77Å; E175-R200 IonicContact OE2-NE 2.6Å; E175-R200 IonicContact OE2-NH1 2.63Å; E175-R200 PolarHBondContact OE2-NH1 2.87Å; E175-R431 PolarHBondContact OE1-N 2.93Å; E175-Y432 HydrophobicContact CG-CD1 4.34Å; E175-Y432 PolarHBondContact OE1-N 3.39Å
176	F	71.4	Confident	67	Low	13 Å²	13	36 Å²	36	6%	0.057	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	129.2	-177.8	-57.5	-83.4	0	0	0	110.4	L103 F104 I169 G174 V197 R199	L103-F176 HydrophobicContact CD1-CB 3.8Å; L103-F176 HydrophobicContact CD1-CD1 4.35Å; L103-F176 HydrophobicContact CD1-CD2 3.68Å; L103-F176 HydrophobicContact CD1-CE2 4.35Å; L103-F176 HydrophobicContact CD1-CG 3.68Å; F104-F176 HydrophobicContact CD2-CD1 4.1Å; F104-F176 AromaticContact CD2-CE1 3.64Å; F104-F176 HydrophobicContact CD2-CE1 3.64Å; F104-F176 AromaticContact CE2-CD1 3.72Å; F104-F176 HydrophobicContact CE2-CD1 3.72Å; F104-F176 AromaticContact CE2-CE1 3.6Å; F104-F176 HydrophobicContact CE2-CE1 3.6Å; I169-F176 PolarHBondContact N-O 2.83Å; I169-F176 PolarHBondContact O-N 3.43Å; G174-F176 WeakPolarHBondContact O-CD2 3.29Å; G174-F176 WeakPolarHBondContact O-CE2 3.46Å; F176-V197 HydrophobicContact CB-CG1 4.08Å; F176-R199 HydrophobicContact CD1-CG 3.97Å; F176-R199 HydrophobicContact CE1-CG 3.71Å
177	F	68.3	Low	66.3	Low	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	141.6	169.4	-64.9	-73.2	0	0	0	109.8	G167 L168 V197 Y198 R200 I203 F386 F390	G167-F177 WeakPolarHBondContact O-CA 3.26Å; L168-F177 HydrophobicContact CB-CD1 4.43Å; L168-F177 HydrophobicContact CB-CE1 4.36Å; L168-F177 HydrophobicContact CD1-CD1 4.11Å; L168-F177 HydrophobicContact CD1-CE1 3.85Å; L168-F177 HydrophobicContact CD1-CZ 4.28Å; F177-V197 VanDerWaalsContact O-CA 3.23Å; F177-V197 WeakPolarHBondContact O-CA 3.38Å; F177-V197 WeakPolarHBondContact O-CG1 3.46Å; F177-Y198 HydrophobicContact CB-CD1 4.4Å; F177-Y198 HydrophobicContact CB-CD2 4.27Å; F177-Y198 HydrophobicContact CB-CE1 3.89Å; F177-Y198 HydrophobicContact CB-CE2 3.75Å; F177-Y198 HydrophobicContact CD2-CD2 4.23Å; F177-Y198 AromaticContact CD2-CE2 3.68Å; F177-Y198 HydrophobicContact CD2-CE2 3.68Å; F177-Y198 HydrophobicContact CG-CE2 4.05Å; F177-Y198 PolarHBondContact N-O 2.88Å; F177-Y198 PolarHBondContact O-N 2.86Å; F177-Y198 VanDerWaalsContact O-N 3.08Å; F177-R200 HydrophobicContact CE2-CB 4.07Å; F177-R200 HydrophobicContact CE2-CG 4.22Å; F177-I203 HydrophobicContact CE2-CD1 4.4Å; F177-F386 HydrophobicContact CD1-CB 3.53Å; F177-F386 HydrophobicContact CD1-CG 4.44Å; F177-F386 HydrophobicContact CE1-CB 3.54Å; F177-F386 HydrophobicContact CG-CB 4.45Å; F177-F386 HydrophobicContact CZ-CB 4.47Å; F177-F390 HydrophobicContact CZ-CE2 4.18Å
178	I	71.6	Confident	66.1	Low	1 Å²	1	46.2 Å²	46.2	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	137.1	169.4	-175.3	165.8	0	0	0	109.2	M39 V101 I159 L165 A166 G167 I169 H195 V196 V197	M39-I178 HydrophobicContact CE-CD1 4.43Å; M39-I178 HydrophobicContact SD-CD1 3.93Å; V101-I178 HydrophobicContact CG1-CD1 4.27Å; I159-I178 HydrophobicContact CG2-CG2 4.24Å; L165-I178 HydrophobicContact CB-CD1 4.07Å; L165-I178 HydrophobicContact CD1-CD1 4.47Å; A166-I178 CarbonylContact C-O 3.59Å; A166-I178 VanDerWaalsContact CA-O 3.28Å; A166-I178 WeakPolarHBondContact CA-O 3.1Å; G167-I178 PolarHBondContact N-O 2.97Å; G167-I178 PolarHBondContact O-N 2.83Å; I169-I178 HydrophobicContact CD1-CG2 4.18Å; I178-H195 HydrophobicContact CD1-CB 4.27Å; I178-H195 HydrophobicContact CG1-CB 4.11Å; I178-V196 WeakPolarHBondContact CA-O 3.48Å; I178-V197 HydrophobicContact CB-CG2 3.98Å; I178-V197 HydrophobicContact CD1-CG2 4Å; I178-V197 HydrophobicContact CG1-CG2 3.79Å
179	E	68.1	Low	65.8	Low	43 Å²	43	46.1 Å²	46.1	20%	0.201	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	159.5	164	76.6	174.3	136.4	0	0	112	L165 K183 H195 V196 F386	L165-E179 WeakPolarHBondContact O-CA 3.46Å; E179-K183 IonicContact OE2-NZ 2.78Å; E179-K183 PolarHBondContact OE2-NZ 3.25Å; E179-H195 CarbonylContact O-C 3.48Å; E179-H195 VanDerWaalsContact O-CA 3.26Å; E179-H195 WeakPolarHBondContact O-CA 3.42Å; E179-H195 WeakPolarHBondContact O-CB 3.43Å; E179-V196 HydrophobicContact CG-CG1 3.72Å; E179-V196 PolarHBondContact N-O 3.4Å; E179-V196 PolarHBondContact O-N 2.85Å; E179-F386 HydrophobicContact CB-CE2 4.23Å
180	P	70.8	Confident	65.2	Low	6 Å²	6	51 Å²	51	4%	0.039	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	134.8	176.4	-6.8	21.9	0	0	0	110.6	D163 E182	D163-P180 WeakPolarHBondContact O-CG 3.24Å; P180-E182 VanDerWaalsContact C-N 3.27Å; P180-E182 PolarHBondContact O-N 3.16Å
181	L	66.1	Low	64.5	Low	95 Å²	95	57.3 Å²	57.3	50%	0.497	30%	0.302	S	S	.	.	S	Bend	trans	-63.4	-33.8	-177	-175.1	65.3	0	0	0	112.5	L38 V194 V196	L38-L181 HydrophobicContact CD2-CD1 4.35Å; L38-L181 HydrophobicContact CD2-CD2 4.36Å; L181-V194 HydrophobicContact CB-CB 4.45Å; L181-V194 HydrophobicContact CB-CG1 4.39Å; L181-V194 WeakPolarHBondContact CB-O 3.23Å; L181-V194 HydrophobicContact CD2-CB 4.26Å; L181-V194 HydrophobicContact CD2-CG1 3.93Å; L181-V194 PolarHBondContact N-O 2.97Å; L181-V196 HydrophobicContact CD1-CB 4.45Å
182	E	58.6	Low	64	Low	112 Å²	112	57.9 Å²	57.9	52%	0.523	31%	0.309	S	S	.	.	S	Bend	trans	-131.1	132.1	173.2	-61.9	-174.2	152.7	0	0	109.6	P180 Q185 R193	P180-E182 VanDerWaalsContact C-N 3.27Å; P180-E182 PolarHBondContact O-N 3.16Å; E182-Q185 HydrophobicContact CB-CG 4.47Å; E182-Q185 PolarHBondContact OE2-NE2 3.43Å; E182-R193 PolarHBondContact O-NE 2.88Å; E182-R193 PolarHBondContact O-NH2 3.26Å
183	K	59.3	Low	64.3	Low	87 Å²	87	55.4 Å²	55.4	38%	0.378	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	151.2	-176.1	-73.4	164	179.5	154.2	0	110.9	E179 Q185	E179-K183 IonicContact OE2-NZ 2.78Å; E179-K183 PolarHBondContact OE2-NZ 3.25Å; K183-Q185 PolarHBondContact O-N 2.84Å
184	G	57.7	Low	64.8	Low	45 Å²	45	53.8 Å²	53.8	46%	0.464	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.3	6.5	179.2	0	0	0	0	0	118	D163 Q186 H272	D163-G184 PolarHBondContact OD2-N 3.36Å; G184-Q186 PolarHBondContact O-N 2.76Å; G184-H272 PolarHBondContact N-CE1 2.79Å
185	Q	63.3	Low	65.5	Low	68 Å²	68	53.6 Å²	53.6	32%	0.318	29%	0.286	S	S	.	.			trans	-91.9	43.2	-175.4	-67.6	-164.9	8.2	0	0	115.3	E182 K183 D187 V188	E182-Q185 HydrophobicContact CB-CG 4.47Å; E182-Q185 PolarHBondContact OE2-NE2 3.43Å; K183-Q185 PolarHBondContact O-N 2.84Å; Q185-D187 VanDerWaalsContact C-N 3.29Å; Q185-D187 PolarHBondContact O-N 2.94Å; Q185-V188 HydrophobicContact CB-CB 4.41Å; Q185-V188 HydrophobicContact CB-CG2 4.09Å; Q185-V188 HydrophobicContact CG-CG2 4.49Å; Q185-V188 PolarHBondContact O-N 3.1Å; Q185-V188 VanDerWaalsContact O-N 3.16Å
186	Q	59.6	Low	65.8	Low	53 Å²	53	54.3 Å²	54.3	25%	0.248	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-58.5	-38.5	179.6	-64.3	-171.1	-17.7	0	0	112.6	C162 G184 V188 E189	C162-Q186 PolarHBondContact O-NE2 3.35Å; G184-Q186 PolarHBondContact O-N 2.76Å; Q186-V188 PolarHBondContact O-N 3.21Å; Q186-E189 VanDerWaalsContact O-CB 3.3Å; Q186-E189 WeakPolarHBondContact O-CB 3.48Å; Q186-E189 PolarHBondContact O-N 3.11Å
187	D	56.5	Low	65.7	Low	165 Å²	165	53.8 Å²	53.8	88%	0.882	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-62.9	-21.4	178.8	-71.1	-33.6	0	0	0	114.6	Q185	Q185-D187 VanDerWaalsContact C-N 3.29Å; Q185-D187 PolarHBondContact O-N 2.94Å
188	V	61.1	Low	65.5	Low	64 Å²	64	54.7 Å²	54.7	39%	0.388	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-93.6	-18	-177.7	-161.7	0	0	0	0	111.4	Q185 Q186 V190 K191	Q185-V188 HydrophobicContact CB-CB 4.41Å; Q185-V188 HydrophobicContact CB-CG2 4.09Å; Q185-V188 HydrophobicContact CG-CG2 4.49Å; Q185-V188 PolarHBondContact O-N 3.1Å; Q185-V188 VanDerWaalsContact O-N 3.16Å; Q186-V188 PolarHBondContact O-N 3.21Å; V188-V190 PolarHBondContact O-N 3.39Å; V188-V190 VanDerWaalsContact O-N 3.12Å; V188-K191 WeakPolarHBondContact O-CB 3.48Å; V188-K191 PolarHBondContact O-N 3.17Å
189	E	68.1	Low	65.1	Low	2 Å²	2	59.6 Å²	59.6	1%	0.009	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-62	-27.4	-167.2	-162.9	175.1	-94.2	0	0	114.2	H53 V54 V55 S56 Q186 K191 G192 R193	H53-E189 WeakPolarHBondContact CB-O 3.43Å; V54-E189 WeakPolarHBondContact CA-OE2 3.33Å; V55-E189 HydrophobicContact CG2-CG 4.44Å; V55-E189 PolarHBondContact N-OE2 3.43Å; S56-E189 VanDerWaalsContact CB-OE2 3.25Å; S56-E189 WeakPolarHBondContact CB-OE2 3.35Å; S56-E189 PolarHBondContact N-OE2 2.9Å; S56-E189 VanDerWaalsContact OG-CD 3.29Å; S56-E189 PolarHBondContact OG-OE1 2.79Å; S56-E189 PolarHBondContact OG-OE2 2.61Å; Q186-E189 VanDerWaalsContact O-CB 3.3Å; Q186-E189 WeakPolarHBondContact O-CB 3.48Å; Q186-E189 PolarHBondContact O-N 3.11Å; E189-K191 PolarHBondContact O-N 3.17Å; E189-G192 PolarHBondContact O-N 3.37Å; E189-R193 HydrophobicContact CB-CB 4.25Å; E189-R193 HydrophobicContact CG-CB 3.81Å; E189-R193 IonicContact OE1-NH1 3.61Å; E189-R193 PolarHBondContact OE1-NH1 2.87Å
190	V	63.9	Low	64.5	Low	101 Å²	101	59.4 Å²	59.4	61%	0.612	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-55.2	-23.2	172.5	-176.5	0	0	0	0	112.8	V54 V188	V54-V190 HydrophobicContact CG2-CG2 3.93Å; V188-V190 PolarHBondContact O-N 3.39Å; V188-V190 VanDerWaalsContact O-N 3.12Å
191	K	60.1	Low	63.7	Low	179 Å²	179	61 Å²	61	78%	0.778	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-94.7	-1.4	177.8	-61.4	176.9	-177.7	169.7	0	114.3	V188 E189	V188-K191 WeakPolarHBondContact O-CB 3.48Å; V188-K191 PolarHBondContact O-N 3.17Å; E189-K191 PolarHBondContact O-N 3.17Å
192	G	62.3	Low	62.8	Low	19 Å²	19	56.8 Å²	56.8	20%	0.196	30%	0.298	C	S	.	.			trans	94.3	98.4	-168.9	0	0	0	0	0	112.2	V40 E189	V40-G192 VanDerWaalsContact CG1-CA 3.42Å; E189-G192 PolarHBondContact O-N 3.37Å
193	R	75.6	Confident	62.4	Low	10 Å²	10	54.3 Å²	54.3	4%	0.038	29%	0.288	C	S	.	.			trans	-80.7	124.2	171.6	-176	176.6	-175.6	-179.6	1.4	109.7	D163 E182 E189 H195	D163-R193 IonicContact OD1-CZ 2.67Å; D163-R193 VanDerWaalsContact OD1-CZ 3.22Å; D163-R193 IonicContact OD1-NH1 3.69Å; D163-R193 PolarHBondContact OD1-NH1 3.45Å; D163-R193 IonicContact OD1-NH2 3.7Å; D163-R193 PolarHBondContact OD1-NH2 2.68Å; D163-R193 IonicContact OD2-NH2 2.83Å; D163-R193 PolarHBondContact OD2-NH2 2.88Å; E182-R193 PolarHBondContact O-NE 2.88Å; E182-R193 PolarHBondContact O-NH2 3.26Å; E189-R193 HydrophobicContact CB-CB 4.25Å; E189-R193 HydrophobicContact CG-CB 3.81Å; E189-R193 IonicContact OE1-NH1 3.61Å; E189-R193 PolarHBondContact OE1-NH1 2.87Å; R193-H195 PolarHBondContact O-CE1 2.79Å; R193-H195 PolarHBondContact O-ND1 2.85Å
194	V	73.4	Confident	61.7	Low	56 Å²	56	56.3 Å²	56.3	34%	0.339	30%	0.297	S	S	.	.			trans	-70.8	132.4	177.7	-176.9	0	0	0	0	109.8	L38 V40 L181	L38-V194 HydrophobicContact CB-CG1 4.16Å; L38-V194 HydrophobicContact CD2-CG1 4.08Å; V40-V194 HydrophobicContact CG2-CG2 4.17Å; L181-V194 HydrophobicContact CB-CB 4.45Å; L181-V194 HydrophobicContact CB-CG1 4.39Å; L181-V194 WeakPolarHBondContact CB-O 3.23Å; L181-V194 HydrophobicContact CD2-CB 4.26Å; L181-V194 HydrophobicContact CD2-CG1 3.93Å; L181-V194 PolarHBondContact N-O 2.97Å
195	H	75.1	Confident	60.6	Low	0 Å²	0	63 Å²	63	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	145.5	172.1	-66.6	62.3	0	0	0	108.5	M39 P41 L165 I178 E179 R193	M39-H195 PolarHBondContact N-O 2.88Å; M39-H195 PolarHBondContact O-N 3.14Å; M39-H195 HydrophobicContact SD-CB 3.88Å; P41-H195 WeakPolarHBondContact CD-ND1 3.34Å; P41-H195 HydrophobicContact CG-CB 4.48Å; P41-H195 WeakPolarHBondContact CG-ND1 3.39Å; L165-H195 PolarHBondContact N-NE2 2.91Å; L165-H195 PolarHBondContact O-CD2 2.82Å; L165-H195 VanDerWaalsContact O-CD2 3.27Å; I178-H195 HydrophobicContact CD1-CB 4.27Å; I178-H195 HydrophobicContact CG1-CB 4.11Å; E179-H195 CarbonylContact O-C 3.48Å; E179-H195 VanDerWaalsContact O-CA 3.26Å; E179-H195 WeakPolarHBondContact O-CA 3.42Å; E179-H195 WeakPolarHBondContact O-CB 3.43Å; R193-H195 PolarHBondContact O-CE1 2.79Å; R193-H195 PolarHBondContact O-ND1 2.85Å
196	V	71.2	Confident	58.9	Low	21 Å²	21	67 Å²	67	13%	0.127	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	135.5	170.5	64.1	0	0	0	0	108.6	Y36 L38 I178 E179 L181 Y198	Y36-V196 HydrophobicContact CD1-CG2 4.17Å; L38-V196 HydrophobicContact CD2-CB 4.13Å; L38-V196 HydrophobicContact CD2-CG2 4.23Å; I178-V196 WeakPolarHBondContact CA-O 3.48Å; E179-V196 HydrophobicContact CG-CG1 3.72Å; E179-V196 PolarHBondContact N-O 3.4Å; E179-V196 PolarHBondContact O-N 2.85Å; L181-V196 HydrophobicContact CD1-CB 4.45Å; V196-Y198 HydrophobicContact CG1-CD1 4.37Å; V196-Y198 HydrophobicContact CG1-CE1 4.48Å; V196-Y198 HydrophobicContact CG2-CD1 4.32Å
197	V	69.8	Low	57.4	Low	2 Å²	2	71 Å²	71	1%	0.012	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	122.8	172.1	179.5	0	0	0	0	109.2	G37 M39 L103 F176 F177 I178	G37-V197 PolarHBondContact N-O 2.88Å; G37-V197 PolarHBondContact O-N 3Å; M39-V197 HydrophobicContact CG-CB 4.5Å; M39-V197 HydrophobicContact CG-CG2 3.62Å; M39-V197 HydrophobicContact SD-CG2 3.96Å; L103-V197 HydrophobicContact CD2-CB 4.3Å; L103-V197 HydrophobicContact CD2-CG1 3.64Å; L103-V197 HydrophobicContact CD2-CG2 4.06Å; F176-V197 HydrophobicContact CB-CG1 4.08Å; F177-V197 VanDerWaalsContact O-CA 3.23Å; F177-V197 WeakPolarHBondContact O-CA 3.38Å; F177-V197 WeakPolarHBondContact O-CG1 3.46Å; I178-V197 HydrophobicContact CB-CG2 3.98Å; I178-V197 HydrophobicContact CD1-CG2 4Å; I178-V197 HydrophobicContact CG1-CG2 3.79Å
198	Y	64.4	Low	55.9	Low	19 Å²	19	66.8 Å²	66.8	8%	0.075	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	151.9	-175.3	57.4	-84.6	0	0	0	111.7	E35 Y36 F177 V196 I203	E35-Y198 WeakPolarHBondContact O-CA 3.02Å; Y36-Y198 HydrophobicContact CD1-CG 4.23Å; Y36-Y198 HydrophobicContact CE1-CG 4.04Å; F177-Y198 HydrophobicContact CB-CD1 4.4Å; F177-Y198 HydrophobicContact CB-CD2 4.27Å; F177-Y198 HydrophobicContact CB-CE1 3.89Å; F177-Y198 HydrophobicContact CB-CE2 3.75Å; F177-Y198 HydrophobicContact CD2-CD2 4.23Å; F177-Y198 AromaticContact CD2-CE2 3.68Å; F177-Y198 HydrophobicContact CD2-CE2 3.68Å; F177-Y198 HydrophobicContact CG-CE2 4.05Å; F177-Y198 PolarHBondContact N-O 2.88Å; F177-Y198 PolarHBondContact O-N 2.86Å; F177-Y198 VanDerWaalsContact O-N 3.08Å; V196-Y198 HydrophobicContact CG1-CD1 4.37Å; V196-Y198 HydrophobicContact CG1-CE1 4.48Å; V196-Y198 HydrophobicContact CG2-CD1 4.32Å; Y198-I203 HydrophobicContact CD2-CD1 4.29Å; Y198-I203 HydrophobicContact CD2-CG1 4.08Å; Y198-I203 HydrophobicContact CE2-CD1 3.8Å; Y198-I203 HydrophobicContact CE2-CG1 3.99Å
199	R	62.1	Low	54.3	Low	104 Å²	104	73.1 Å²	73.1	39%	0.392	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	149.3	174.6	-63.4	-179.1	-174	-142.2	0.9	110	E35 F104 F176 S201 A202	E35-R199 PolarHBondContact O-N 2.97Å; F104-R199 HydrophobicContact CE2-CG 4.09Å; F104-R199 HydrophobicContact CZ-CG 4.21Å; F176-R199 HydrophobicContact CD1-CG 3.97Å; F176-R199 HydrophobicContact CE1-CG 3.71Å; R199-S201 WeakPolarHBondContact CB-OG 3.3Å; R199-S201 PolarHBondContact O-N 2.83Å; R199-S201 VanDerWaalsContact O-N 3.09Å; R199-A202 WeakPolarHBondContact O-CB 3.37Å; R199-A202 PolarHBondContact O-N 3.25Å
200	R	55.4	Low	52.5	Low	40 Å²	40	83.3 Å²	83.3	15%	0.151	41%	0.414	C	S	.	.	G	3₁₀ helix	trans	-56	-25.2	171.5	-173.9	172	175.7	178.9	1.8	113.6	E175 F177 A202 F390	E175-R200 HydrophobicContact CB-CB 4.49Å; E175-R200 PolarHBondContact O-N 2.76Å; E175-R200 IonicContact OE1-NH1 2.66Å; E175-R200 WeakPolarHBondContact OE2-CD 3.15Å; E175-R200 IonicContact OE2-CZ 3.77Å; E175-R200 IonicContact OE2-NE 2.6Å; E175-R200 IonicContact OE2-NH1 2.63Å; E175-R200 PolarHBondContact OE2-NH1 2.87Å; F177-R200 HydrophobicContact CE2-CB 4.07Å; F177-R200 HydrophobicContact CE2-CG 4.22Å; R200-A202 VanDerWaalsContact C-N 3.34Å; R200-F390 VanDerWaalsContact CZ-CD2 3.49Å; R200-F390 VanDerWaalsContact NH1-CE2 3.3Å; R200-F390 VanDerWaalsContact NH2-CG 3.33Å
201	S	53.6	Low	50.6	Low	39 Å²	39	87.7 Å²	87.7	27%	0.273	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-66.9	-29.4	173.8	58	0	0	0	0	114.3	E35 R199 I203	E35-S201 WeakPolarHBondContact OE1-CB 3.42Å; E35-S201 PolarHBondContact OE1-OG 2.96Å; R199-S201 WeakPolarHBondContact CB-OG 3.3Å; R199-S201 PolarHBondContact O-N 2.83Å; R199-S201 VanDerWaalsContact O-N 3.09Å; S201-I203 PolarHBondContact O-N 3.1Å
202	A	48.3	Very low	49.4	Very low	7 Å²	7	86 Å²	86	6%	0.058	42%	0.419	C	S	.	.	G	3₁₀ helix	trans	-70.8	-18.3	-166	0	0	0	0	0	114.2	E35 Y36 R199 R200 K204	E35-A202 HydrophobicContact CB-CB 3.54Å; E35-A202 HydrophobicContact CG-CB 4.49Å; Y36-A202 HydrophobicContact CD2-CB 4.23Å; Y36-A202 HydrophobicContact CE1-CB 4.35Å; Y36-A202 HydrophobicContact CE2-CB 3.55Å; Y36-A202 PolarHBondContact OH-O 2.93Å; R199-A202 WeakPolarHBondContact O-CB 3.37Å; R199-A202 PolarHBondContact O-N 3.25Å; R200-A202 VanDerWaalsContact C-N 3.34Å; A202-K204 VanDerWaalsContact C-N 3.34Å; A202-K204 PolarHBondContact O-N 2.85Å
203	I	50.5	Low	47.5	Very low	60 Å²	60	91.7 Å²	91.7	31%	0.308	45%	0.445	S	S	.	.	G	3₁₀ helix	trans	-78.5	-16.2	-166.9	-45.4	175.3	0	0	0	111.9	F177 Y198 S201	F177-I203 HydrophobicContact CE2-CD1 4.4Å; Y198-I203 HydrophobicContact CD2-CD1 4.29Å; Y198-I203 HydrophobicContact CD2-CG1 4.08Å; Y198-I203 HydrophobicContact CE2-CD1 3.8Å; Y198-I203 HydrophobicContact CE2-CG1 3.99Å; S201-I203 PolarHBondContact O-N 3.1Å
204	K	43.4	Very low	45.1	Very low	129 Å²	129	97.6 Å²	97.6	56%	0.561	48%	0.477	S	S	*	.			trans	-124.3	61.7	-174.4	-85.1	-177.7	173.7	166.5	0	114.9	A202	A202-K204 VanDerWaalsContact C-N 3.34Å; A202-K204 PolarHBondContact O-N 2.85Å
205	R	36.1	Very low	42.7	Very low	185 Å²	185	102.6 Å²	102.6	70%	0.698	50%	0.497	S	S	*	.			trans	-136.5	50.1	170.6	-80.3	-165.1	162.5	-178.1	-3	116.6	K32	K32-R205 VanDerWaalsContact CE-O 3.28Å; K32-R205 WeakPolarHBondContact CE-O 3.21Å; K32-R205 PolarHBondContact NZ-O 2.89Å
206	E	26.7	Very low	40.3	Very low	153 Å²	153	109.6 Å²	109.6	72%	0.715	53%	0.534	S	S	*	.	S	Bend	trans	-122.1	92.6	159.1	-73.6	-89.9	98.1	0	0	110.4	K32	K32-E206 IonicContact NZ-OE1 2.68Å; K32-E206 PolarHBondContact NZ-OE1 3.2Å
207	T	27.9	Very low	38.1	Very low	135 Å²	135	117.1 Å²	117.1	83%	0.828	57%	0.568	S	S	*	*			trans	42	84.6	154.3	51.1	0	0	0	0	120.5
208	G	25.6	Very low	35.9	Very low	77 Å²	77	123.5 Å²	123.5	79%	0.794	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-94.1	144.5	134.5	0	0	0	0	0	109.7
209	Q	25.9	Very low	34	Very low	197 Å²	197	127.2 Å²	127.2	92%	0.921	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-74	157.6	-174.9	-72.6	-179.5	-24.6	0	0	113.5	K211	Q209-K211 PolarHBondContact O-N 3.33Å
210	R	31.4	Very low	32.3	Very low	216 Å²	216	129.1 Å²	129.1	82%	0.815	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-52.3	137.3	173.2	-71.4	-175.3	179.9	-172.5	0.7	111.4	E212	R210-E212 IonicContact NH1-OE1 2.74Å
211	K	24.3	Very low	30.9	Very low	193 Å²	193	133.8 Å²	133.8	84%	0.839	69%	0.692	S	S	*	*			trans	-127.9	125.7	136.8	-102.5	-165.4	168.1	-156.8	0	109.5	Q209	Q209-K211 PolarHBondContact O-N 3.33Å
212	E	33.4	Very low	29.7	Very low	143 Å²	143	134.9 Å²	134.9	67%	0.668	71%	0.709	S	S	*	*			trans	-76.1	143.9	155.6	-67	149.4	148	0	0	107.4	R210	R210-E212 IonicContact NH1-OE1 2.74Å
213	D	23.7	Very low	28.7	Very low	139 Å²	139	142.6 Å²	142.6	74%	0.743	75%	0.748	S	S	*	*			trans	160.4	151.7	154.2	-84.8	-27.1	0	0	0	110.2
214	L	25.4	Very low	28	Very low	134 Å²	134	143.5 Å²	143.5	70%	0.702	76%	0.764	S	S	*	*			cis	-164.8	120.3	-46.1	-148.3	94.5	0	0	0	109.5
215	H	23.1	Very low	27.5	Very low	162 Å²	162	144.4 Å²	144.4	75%	0.75	78%	0.775	S	S	*	*			trans	60.8	169.9	168	-74.8	65.2	0	0	0	116.2
216	N	25	Very low	27.3	Very low	146 Å²	146	142.8 Å²	142.8	78%	0.781	78%	0.78	S	S	*	*			cis	-130.8	159.6	5.2	-94.6	-54	0	0	0	111.5
217	E	24	Very low	27.5	Very low	180 Å²	180	140.3 Å²	140.3	84%	0.841	78%	0.777	S	S	*	*			trans	-100.8	173.2	160.8	-64.4	-172.9	115	0	0	111.9
218	V	24.4	Very low	27.8	Very low	135 Å²	135	138.4 Å²	138.4	82%	0.818	77%	0.774	S	S	*	*			trans	68.5	108.7	160.7	-167.3	0	0	0	0	118.8
219	A	23.9	Very low	28.3	Very low	98 Å²	98	137.8 Å²	137.8	81%	0.81	76%	0.762	S	S	*	*			trans	-156.1	85.2	131.5	0	0	0	0	0	110.5
220	D	27	Very low	28.8	Very low	143 Å²	143	134.4 Å²	134.4	77%	0.765	75%	0.749	S	S	*	*			trans	-80.5	122.9	166.3	173.2	24.7	0	0	0	110.1	G222	D220-G222 PolarHBondContact OD1-N 2.79Å; D220-G222 VanDerWaalsContact OD1-N 3.08Å
221	V	25.7	Very low	28.9	Very low	139 Å²	139	130 Å²	130	84%	0.842	74%	0.742	S	S	*	*			trans	-142.9	76.2	162	-172.9	0	0	0	0	108.3
222	G	27.6	Very low	29.5	Very low	62 Å²	62	127.2 Å²	127.2	64%	0.639	74%	0.736	S	S	*	*			trans	-64.7	141.9	-179.9	0	0	0	0	0	115.3	D220	D220-G222 PolarHBondContact OD1-N 2.79Å; D220-G222 VanDerWaalsContact OD1-N 3.08Å
223	I	28.3	Very low	29.9	Very low	169 Å²	169	124.5 Å²	124.5	87%	0.867	73%	0.729	S	S	*	*			trans	-127.3	124.4	149.8	-66.7	-177.7	0	0	0	106.6
224	A	35.5	Very low	30.4	Very low	79 Å²	79	123.8 Å²	123.8	65%	0.653	72%	0.721	S	S	*	*			trans	-80.4	172.8	176.3	0	0	0	0	0	111.9
225	D	32.5	Very low	30.9	Very low	148 Å²	148	125.2 Å²	125.2	79%	0.791	72%	0.724	S	S	*	*			trans	63.6	77.4	170.5	-58.2	-24.7	0	0	0	117.2
226	L	32	Very low	31.3	Very low	151 Å²	151	125.3 Å²	125.3	79%	0.791	72%	0.722	S	S	*	*				178.1	111.8	111.5	-114.8	65.2	0	0	0	112.6
227	P	30.4	Very low	31.9	Very low	101 Å²	101	124.7 Å²	124.7	66%	0.656	72%	0.718	S	S	*	*			trans	-131.8	1.8	142.5	36.5	-26.8	0	0	0	114.5	A229 L230	P227-A229 PolarHBondContact O-N 2.81Å; P227-L230 PolarHBondContact O-N 2.96Å
228	A	33.9	Very low	32.2	Very low	94 Å²	94	121.3 Å²	121.3	78%	0.777	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.6	18.5	-178.2	0	0	0	0	0	115.8
229	A	37.8	Very low	32.5	Very low	64 Å²	64	123.2 Å²	123.2	53%	0.529	71%	0.714	S	S	.	*	T	Hydrogen-bonded Turn	trans	-120.3	-4	-175.7	0	0	0	0	0	114.1	P227	P227-A229 PolarHBondContact O-N 2.81Å
230	L	36.6	Very low	33	Very low	126 Å²	126	124 Å²	124	66%	0.66	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.8	-44.9	179	-81.7	162.1	0	0	0	112.8	P227 L232 V233	P227-L230 PolarHBondContact O-N 2.96Å; L230-L232 PolarHBondContact O-N 2.9Å; L230-L232 VanDerWaalsContact O-N 3.09Å; L230-V233 WeakPolarHBondContact O-CB 3.09Å; L230-V233 PolarHBondContact O-N 2.98Å
231	D	33	Very low	33.1	Very low	125 Å²	125	125.9 Å²	125.9	67%	0.668	72%	0.718	S	S	*	*	H	α-helix	trans	-53.8	-33.2	177.4	-61	11.1	0	0	0	112.9	V233 H235	D231-V233 PolarHBondContact O-N 3.03Å; D231-H235 WeakPolarHBondContact O-CB 3.22Å; D231-H235 PolarHBondContact O-N 3.13Å
232	L	36.6	Very low	33.4	Very low	133 Å²	133	131 Å²	131	70%	0.696	72%	0.722	S	S	*	*	H	α-helix	trans	-70.9	-9.8	-179.7	-149.9	78.2	0	0	0	114	L230	L230-L232 PolarHBondContact O-N 2.9Å; L230-L232 VanDerWaalsContact O-N 3.09Å
233	V	40.8	Very low	33.4	Very low	86 Å²	86	137 Å²	137	52%	0.521	73%	0.73	S	S	.	*	H	α-helix	trans	-95.9	-43.9	177.7	-175.5	0	0	0	0	111	L230 D231 H235 K236	L230-V233 WeakPolarHBondContact O-CB 3.09Å; L230-V233 PolarHBondContact O-N 2.98Å; D231-V233 PolarHBondContact O-N 3.03Å; V233-H235 VanDerWaalsContact C-N 3.33Å; V233-H235 PolarHBondContact O-N 2.74Å; V233-K236 PolarHBondContact O-N 3.21Å
234	E	35	Very low	33.6	Very low	125 Å²	125	140.6 Å²	140.6	58%	0.584	73%	0.733	S	S	*	*	H	α-helix	trans	-63.1	-42.2	177.4	-164.8	164.6	-167.5	0	0	110.6	K236 L237 Q440	E234-K236 PolarHBondContact O-N 2.96Å; E234-L237 PolarHBondContact O-N 2.05Å; E234-Q440 PolarHBondContact OE1-NE2 3.4Å
235	H	36	Very low	33.8	Very low	164 Å²	164	148 Å²	148	76%	0.759	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.4	1.6	179.2	-146.6	-50.2	0	0	0	115.1	D231 V233	D231-H235 WeakPolarHBondContact O-CB 3.22Å; D231-H235 PolarHBondContact O-N 3.13Å; V233-H235 VanDerWaalsContact C-N 3.33Å; V233-H235 PolarHBondContact O-N 2.74Å
236	K	32.3	Very low	33.9	Very low	163 Å²	163	150.1 Å²	150.1	71%	0.709	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.5	-5.7	174.6	-81.8	-167.2	171.9	-174	0	115.4	V233 E234	V233-K236 PolarHBondContact O-N 3.21Å; E234-K236 PolarHBondContact O-N 2.96Å
237	L	36.2	Very low	33.9	Very low	134 Å²	134	146.8 Å²	146.8	70%	0.702	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.8	-20.3	177.1	-70.1	171.6	0	0	0	113.1	E234 E239	E234-L237 PolarHBondContact O-N 2.05Å; L237-E239 PolarHBondContact O-N 3.43Å
238	S	29.8	Very low	34.1	Very low	109 Å²	109	149.9 Å²	149.9	76%	0.762	75%	0.746	S	S	*	*	G	3₁₀ helix	trans	-64.9	-21.9	174.7	-177.8	0	0	0	0	114	S240	S238-S240 VanDerWaalsContact C-N 3.33Å; S238-S240 PolarHBondContact O-N 2.87Å
239	E	31.4	Very low	34.5	Very low	174 Å²	174	153.4 Å²	153.4	81%	0.813	74%	0.744	S	S	*	*	G	3₁₀ helix	trans	-85.1	13.8	-172.1	-115.3	-172.4	167.6	0	0	115.4	L237	L237-E239 PolarHBondContact O-N 3.43Å
240	S	33.9	Very low	35.3	Very low	114 Å²	114	154.3 Å²	154.3	80%	0.797	74%	0.74	S	S	*	*	G	3₁₀ helix	trans	-147	37.7	-177	-81.3	0	0	0	0	117	S238	S238-S240 VanDerWaalsContact C-N 3.33Å; S238-S240 PolarHBondContact O-N 2.87Å
241	E	28.9	Very low	36.7	Very low	183 Å²	183	152.7 Å²	152.7	86%	0.855	73%	0.732	S	S	*	*			trans	-103.7	131.4	157.8	-64.4	-139.7	128.1	0	0	112	K243	E241-K243 PolarHBondContact O-N 3.27Å; E241-K243 VanDerWaalsContact O-N 3.16Å
242	R	32.8	Very low	39.2	Very low	247 Å²	247	147.4 Å²	147.4	93%	0.932	70%	0.703	S	S	*	*			trans	-78.9	99.3	-175.9	-72.7	176.2	170.8	170.6	-3.5	110.3	R244	R242-R244 PolarHBondContact O-N 2.89Å
243	K	28.6	Very low	41.7	Very low	187 Å²	187	141.5 Å²	141.5	81%	0.813	67%	0.672	S	S	*	*			trans	-49.4	109.7	168.3	-75.6	-159.6	173.9	-163.9	0	110.5	E241	E241-K243 PolarHBondContact O-N 3.27Å; E241-K243 VanDerWaalsContact O-N 3.16Å
244	R	32.2	Very low	44.2	Very low	245 Å²	245	137.4 Å²	137.4	93%	0.925	65%	0.647	S	S	*	*			trans	-62.8	139.7	160	-79.6	-179.1	167	178.9	-3.8	107.3	R242 H246	R242-R244 PolarHBondContact O-N 2.89Å; R244-H246 PolarHBondContact O-N 2.76Å
245	R	38	Very low	46.9	Very low	234 Å²	234	132 Å²	132	88%	0.883	62%	0.622	S	S	*	*	S	Bend	trans	-81.7	111.7	180	-61.5	174.3	179.9	173.7	-2.2	108.4
246	H	34.9	Very low	49.6	Very low	194 Å²	194	124.2 Å²	124.2	90%	0.898	59%	0.586	S	S	*	*			trans	169.6	71.6	143.1	-83.1	-44.4	0	0	0	111.3	R244	R244-H246 PolarHBondContact O-N 2.76Å
247	A	31.8	Very low	52.6	Low	81 Å²	81	116.5 Å²	116.5	67%	0.669	55%	0.553	S	S	*	*			trans	-146.3	148.1	163.5	0	0	0	0	0	109.5
248	K	36.1	Very low	55.4	Low	165 Å²	165	110.1 Å²	110.1	72%	0.717	52%	0.519	S	S	*	.			trans	-73.3	177.5	161.3	-93.4	176.7	-177.8	170.1	0	109.2	D250 E458	K248-D250 PolarHBondContact O-N 2.95Å; K248-E458 IonicContact NZ-OE1 3.61Å; K248-E458 PolarHBondContact NZ-OE1 2.88Å
249	K	42.6	Very low	58.5	Low	169 Å²	169	105 Å²	105	74%	0.735	48%	0.484	S	S	*	.	S	Bend	trans	-78.6	102.4	-173.1	-176.5	-162.9	173.1	-137.3	0	111.7	D251	K249-D251 VanDerWaalsContact C-N 3.26Å; K249-D251 PolarHBondContact O-N 3.26Å
250	D	53.8	Low	61.5	Low	83 Å²	83	96.8 Å²	96.8	44%	0.444	45%	0.445	S	S	.	.	S	Bend	trans	59.1	15.2	150.1	-39.5	-39.1	0	0	0	118.6	K248	K248-D250 PolarHBondContact O-N 2.95Å
251	D	66.6	Low	64.3	Low	92 Å²	92	91.3 Å²	91.3	49%	0.492	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	134.1	166.4	-68.4	-52.2	0	0	0	110.1	K249 N296	K249-D251 VanDerWaalsContact C-N 3.26Å; K249-D251 PolarHBondContact O-N 3.26Å; D251-N296 PolarHBondContact OD1-ND2 2.67Å
252	Y	85.7	Confident	67.2	Low	14 Å²	14	83.7 Å²	83.7	6%	0.055	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	155	174.9	-61.2	-95.5	0	0	0	111.1	T295 N296 N298 I446 H447 L452 L453	Y252-T295 HydrophobicContact CD2-CG2 3.58Å; Y252-T295 HydrophobicContact CE2-CG2 3.53Å; Y252-N296 PolarHBondContact N-O 2.04Å; Y252-N298 PolarHBondContact O-N 2.81Å; Y252-N298 PolarHBondContact O-ND2 2.88Å; Y252-I446 HydrophobicContact CD1-CD1 3.96Å; Y252-I446 HydrophobicContact CD1-CG1 3.94Å; Y252-I446 HydrophobicContact CD2-CD1 4.42Å; Y252-I446 HydrophobicContact CD2-CG1 4.08Å; Y252-I446 HydrophobicContact CE1-CD1 4.16Å; Y252-I446 HydrophobicContact CE1-CG1 3.65Å; Y252-I446 HydrophobicContact CE2-CG1 3.82Å; Y252-I446 HydrophobicContact CG-CD1 4.1Å; Y252-I446 HydrophobicContact CG-CG1 4.15Å; Y252-H447 PolarHBondContact OH-CE1 2.78Å; Y252-H447 PolarHBondContact OH-ND1 3.28Å; Y252-L452 WeakPolarHBondContact CA-O 3.36Å; Y252-L452 HydrophobicContact CD1-CB 4.02Å; Y252-L453 HydrophobicContact CD1-CD2 3.84Å; Y252-L453 HydrophobicContact CE1-CD2 3.57Å
253	N	88.3	Confident	69.9	Low	9 Å²	9	73.1 Å²	73.1	5%	0.048	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	147	173.3	-54.8	-72.3	0	0	0	109.4	N298 V300 L452 D454	N253-N298 WeakPolarHBondContact OD1-CB 3.25Å; N253-N298 PolarHBondContact OD1-ND2 3.27Å; N253-V300 HydrophobicContact CB-CG2 4.3Å; N253-L452 PolarHBondContact N-O 2.92Å; N253-L452 VanDerWaalsContact N-O 3.13Å; N253-L452 VanDerWaalsContact O-CA 3.3Å; N253-L452 WeakPolarHBondContact O-CA 2.98Å; N253-L452 WeakPolarHBondContact O-CB 2.97Å; N253-L452 WeakPolarHBondContact O-CD2 3.12Å; N253-D454 PolarHBondContact ND2-O 3.48Å
254	I	92.6	Very high	72.7	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	112.4	167.8	-58.5	172.2	0	0	0	107.5	V256 I297 N298 I299 V300 D347 H348 M371 L400 L452	I254-V256 HydrophobicContact CG2-CG2 3.91Å; I254-V256 PolarHBondContact O-N 3.05Å; I254-I297 HydrophobicContact CD1-CG2 3.56Å; I254-I297 HydrophobicContact CG1-CG2 3.82Å; I254-N298 PolarHBondContact N-O 3.45Å; I254-I299 HydrophobicContact CB-CD1 4.31Å; I254-I299 HydrophobicContact CD1-CD1 3.9Å; I254-I299 HydrophobicContact CG1-CD1 4.5Å; I254-V300 PolarHBondContact O-N 3.29Å; I254-D347 HydrophobicContact CG2-CB 4.33Å; I254-H348 HydrophobicContact CG2-CB 3.6Å; I254-M371 HydrophobicContact CD1-CE 3.98Å; I254-M371 HydrophobicContact CG2-CE 4.29Å; I254-M371 HydrophobicContact CG2-SD 4.22Å; I254-L400 HydrophobicContact CD1-CD1 4.45Å; I254-L400 HydrophobicContact CD1-CD2 4.43Å; I254-L452 HydrophobicContact CB-CD2 4.5Å; I254-L452 HydrophobicContact CG1-CD2 3.96Å
255	E	91.4	Very high	75.3	Confident	11 Å²	11	52.9 Å²	52.9	5%	0.051	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	117.2	170.4	-67.7	-155.1	128.3	0	0	110.4	V302 D347 H348 P456	E255-V302 HydrophobicContact CB-CG1 3.91Å; E255-V302 HydrophobicContact CB-CG2 4.15Å; E255-V302 HydrophobicContact CG-CG1 3.9Å; E255-V302 VanDerWaalsContact OE1-CG1 3.23Å; E255-V302 WeakPolarHBondContact OE1-CG1 3.46Å; E255-D347 WeakPolarHBondContact CB-OD2 3.31Å; E255-D347 PolarHBondContact N-OD2 2.85Å; E255-D347 PolarHBondContact O-N 3.45Å; E255-H348 PolarHBondContact O-N 2.84Å; E255-P456 HydrophobicContact CG-CG 4.37Å; E255-P456 WeakPolarHBondContact OE1-CB 3.2Å
256	V	93.9	Very high	77.4	Confident	1 Å²	1	49 Å²	49	1%	0.006	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	120	-173.4	172.3	0	0	0	0	112.7	I254 L258 I299 V300 L301 V302 H348 I350	I254-V256 HydrophobicContact CG2-CG2 3.91Å; I254-V256 PolarHBondContact O-N 3.05Å; V256-L258 HydrophobicContact CG1-CB 4.3Å; V256-I299 HydrophobicContact CG2-CG2 4.06Å; V256-V300 PolarHBondContact N-O 3.43Å; V256-L301 HydrophobicContact CB-CD2 4.08Å; V256-L301 HydrophobicContact CG1-CD2 3.79Å; V256-V302 VanDerWaalsContact C-CG2 3.46Å; V256-V302 WeakPolarHBondContact O-CG2 3.36Å; V256-V302 PolarHBondContact O-N 2.03Å; V256-H348 WeakPolarHBondContact CA-O 3.3Å; V256-H348 HydrophobicContact CG2-CB 4.49Å; V256-I350 HydrophobicContact CG1-CB 4.4Å; V256-I350 HydrophobicContact CG1-CD1 3.68Å; V256-I350 HydrophobicContact CG1-CG1 3.94Å; V256-I350 HydrophobicContact CG2-CD1 4.22Å
257	L	94.5	Very high	79.3	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	118.2	157.1	172.2	62.2	0	0	0	109.2	R303 I305 Q335 H346 H348 A349 I350	L257-R303 HydrophobicContact CD1-CB 3.9Å; L257-R303 HydrophobicContact CD1-CG 3.87Å; L257-I305 HydrophobicContact CD1-CD1 3.82Å; L257-I305 HydrophobicContact CD1-CG1 4Å; L257-Q335 HydrophobicContact CD2-CB 3.75Å; L257-Q335 HydrophobicContact CD2-CG 4.37Å; L257-H346 HydrophobicContact CB-CB 3.95Å; L257-H348 PolarHBondContact N-O 3.29Å; L257-A349 HydrophobicContact CB-CB 4.46Å; L257-A349 CarbonylContact O-C 3.54Å; L257-A349 VanDerWaalsContact O-CA 3.32Å; L257-A349 WeakPolarHBondContact O-CA 3.37Å; L257-I350 PolarHBondContact O-N 3.46Å
258	L	95.6	Very high	81	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	120.5	-178.5	-175.3	55.4	0	0	0	111.6	V256 V277 M281 L301 R303 M304 I305 I350 L352	V256-L258 HydrophobicContact CG1-CB 4.3Å; L258-V277 HydrophobicContact CD2-CG1 3.29Å; L258-V277 HydrophobicContact CG-CG1 3.98Å; L258-M281 HydrophobicContact CD1-SD 4.15Å; L258-M281 HydrophobicContact CD2-CG 3.42Å; L258-M281 VanDerWaalsContact CD2-CG 3.42Å; L258-M281 HydrophobicContact CD2-SD 3.95Å; L258-L301 HydrophobicContact CB-CD2 3.97Å; L258-L301 HydrophobicContact CD2-CD1 4.41Å; L258-L301 HydrophobicContact CD2-CD2 3.76Å; L258-R303 PolarHBondContact N-O 3.35Å; L258-M304 HydrophobicContact CD2-CE 4.35Å; L258-M304 CarbonylContact O-C 3.5Å; L258-M304 VanDerWaalsContact O-CA 3.27Å; L258-M304 WeakPolarHBondContact O-CA 3.34Å; L258-I305 PolarHBondContact O-N 2.93Å; L258-I350 HydrophobicContact CD1-CB 3.8Å; L258-I350 HydrophobicContact CD1-CG2 3.76Å; L258-L352 HydrophobicContact CD1-CD1 4.11Å; L258-L352 HydrophobicContact CD1-CG 4.14Å
259	A	94.7	Very high	82.6	Confident	2 Å²	2	36.2 Å²	36.2	2%	0.017	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	127.8	-177.5	0	0	0	0	0	111.2	I305 W331 I350 F351 L352	A259-I305 WeakPolarHBondContact CA-O 3.22Å; A259-W331 HydrophobicContact CB-CH2 3.57Å; A259-W331 HydrophobicContact CB-CZ3 3.46Å; A259-W331 VanDerWaalsContact CB-CZ3 3.46Å; A259-I350 PolarHBondContact N-O 3.46Å; A259-F351 HydrophobicContact CB-CD2 3.51Å; A259-F351 HydrophobicContact CB-CE2 4.03Å; A259-F351 HydrophobicContact CB-CG 4.29Å; A259-F351 WeakPolarHBondContact O-CA 3.49Å; A259-L352 PolarHBondContact O-N 3.03Å
260	V	94.6	Very high	84	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	119.3	-173.9	-170.8	0	0	0	0	109.2	V264 I265 V273 V277 I305 M306 V307	V260-V264 HydrophobicContact CG1-CB 3.83Å; V260-V264 HydrophobicContact CG1-CG1 3.83Å; V260-I265 HydrophobicContact CG1-CG1 4.01Å; V260-V273 HydrophobicContact CG1-CG2 3.87Å; V260-V277 HydrophobicContact CG1-CG2 4.17Å; V260-V277 HydrophobicContact CG2-CG1 3.97Å; V260-V277 HydrophobicContact CG2-CG2 3.98Å; V260-I305 PolarHBondContact N-O 3.17Å; V260-M306 HydrophobicContact CB-SD 3.76Å; V260-M306 HydrophobicContact CG1-SD 4.09Å; V260-M306 HydrophobicContact CG2-CE 4.44Å; V260-M306 HydrophobicContact CG2-SD 4.04Å; V260-V307 WeakPolarHBondContact O-CB 3.33Å; V260-V307 PolarHBondContact O-N 3.49Å
261	D	92.1	Very high	84.5	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.179	C	C	.	.			trans	-73.4	147.8	-176.7	-171.2	50.9	0	0	0	113	S263 V264 I265 S312 F351 L352 T353 Q355	D261-S263 PolarHBondContact O-N 3.37Å; D261-S263 WeakPolarHBondContact OD2-CB 3.15Å; D261-S263 PolarHBondContact OD2-N 2.96Å; D261-S263 PolarHBondContact OD2-OG 3.19Å; D261-V264 HydrophobicContact CB-CG2 4.45Å; D261-V264 WeakPolarHBondContact O-CA 3.33Å; D261-V264 WeakPolarHBondContact O-CB 3.42Å; D261-V264 PolarHBondContact O-N 2.61Å; D261-I265 WeakPolarHBondContact O-CG1 3.16Å; D261-I265 PolarHBondContact O-N 2.86Å; D261-S312 WeakPolarHBondContact OD1-CA 3.44Å; D261-S312 WeakPolarHBondContact OD1-CB 3.32Å; D261-S312 PolarHBondContact OD1-OG 2.99Å; D261-F351 HydrophobicContact CB-CE1 3.92Å; D261-F351 HydrophobicContact CB-CZ 4.18Å; D261-L352 WeakPolarHBondContact CB-O 3.36Å; D261-L352 PolarHBondContact N-O 3.24Å; D261-T353 PolarHBondContact OD2-OG1 3.42Å; D261-Q355 PolarHBondContact OD2-NE2 2.76Å
262	D	90.8	Very high	84.4	Confident	22 Å²	22	35.3 Å²	35.3	12%	0.118	17%	0.166	C	C	.	.	H	α-helix	trans	-51.6	-28.6	175.6	179.5	68.2	0	0	0	113.6	I265 R266 V307 Y309 S312	D262-I265 PolarHBondContact O-N 2.88Å; D262-R266 WeakPolarHBondContact O-CB 3.45Å; D262-R266 VanDerWaalsContact O-CG 3.25Å; D262-R266 WeakPolarHBondContact O-CG 3.41Å; D262-R266 PolarHBondContact O-N 3.47Å; D262-R266 IonicContact OD1-NE 3.74Å; D262-R266 PolarHBondContact OD1-NE 2.75Å; D262-R266 IonicContact OD1-NH2 3.76Å; D262-R266 IonicContact OD2-CZ 3.95Å; D262-R266 IonicContact OD2-NE 2.71Å; D262-R266 PolarHBondContact OD2-NE 3.47Å; D262-R266 IonicContact OD2-NH2 3.2Å; D262-R266 PolarHBondContact OD2-NH2 3.43Å; D262-V307 WeakPolarHBondContact CB-O 3.35Å; D262-V307 PolarHBondContact N-O 3.02Å; D262-V307 VanDerWaalsContact N-O 3.13Å; D262-Y309 WeakPolarHBondContact OD2-CA 3.33Å; D262-Y309 VanDerWaalsContact OD2-CB 3.26Å; D262-Y309 WeakPolarHBondContact OD2-CB 3.42Å; D262-Y309 WeakPolarHBondContact OD2-CD2 3.46Å; D262-S312 WeakPolarHBondContact CB-OG 3.29Å; D262-S312 PolarHBondContact N-OG 3.37Å
263	S	89.5	Confident	84	Confident	26 Å²	26	34.6 Å²	34.6	18%	0.182	16%	0.163	C	C	.	.	H	α-helix	trans	-64.9	-39.6	173.4	64.4	0	0	0	0	113.4	D261 F267 T353 R354	D261-S263 PolarHBondContact O-N 3.37Å; D261-S263 WeakPolarHBondContact OD2-CB 3.15Å; D261-S263 PolarHBondContact OD2-N 2.96Å; D261-S263 PolarHBondContact OD2-OG 3.19Å; S263-F267 WeakPolarHBondContact O-CB 3.41Å; S263-F267 PolarHBondContact O-N 3.16Å; S263-T353 PolarHBondContact OG-OG1 3.47Å; S263-R354 PolarHBondContact OG-N 3.02Å
264	V	87.3	Confident	83.5	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-71.8	-43.9	174.8	-175.4	0	0	0	0	109.8	V260 D261 R266 F267 H268 V273 L352 R354 E383	V260-V264 HydrophobicContact CG1-CB 3.83Å; V260-V264 HydrophobicContact CG1-CG1 3.83Å; D261-V264 HydrophobicContact CB-CG2 4.45Å; D261-V264 WeakPolarHBondContact O-CA 3.33Å; D261-V264 WeakPolarHBondContact O-CB 3.42Å; D261-V264 PolarHBondContact O-N 2.61Å; V264-R266 VanDerWaalsContact C-N 3.3Å; V264-R266 PolarHBondContact O-N 2.86Å; V264-F267 PolarHBondContact O-N 3.13Å; V264-F267 VanDerWaalsContact O-N 3.14Å; V264-H268 PolarHBondContact O-CD2 2.53Å; V264-H268 PolarHBondContact O-N 3.39Å; V264-V273 HydrophobicContact CG1-CG2 4.13Å; V264-L352 HydrophobicContact CG2-CB 4.47Å; V264-R354 HydrophobicContact CG2-CG 3.95Å; V264-E383 HydrophobicContact CG1-CG 3.96Å; V264-E383 HydrophobicContact CG2-CB 3.86Å; V264-E383 HydrophobicContact CG2-CG 4.03Å
265	I	86.8	Confident	82.3	Confident	6 Å²	6	37.4 Å²	37.4	3%	0.031	18%	0.177	C	C	.	.	H	α-helix	trans	-59.5	-39.9	178.5	-63.3	168.4	0	0	0	111.4	W127 V260 D261 D262 G269 K270 V273 M306	W127-I265 HydrophobicContact CH2-CG2 4.44Å; W127-I265 HydrophobicContact CZ3-CD1 4.38Å; W127-I265 HydrophobicContact CZ3-CG2 3.98Å; V260-I265 HydrophobicContact CG1-CG1 4.01Å; D261-I265 WeakPolarHBondContact O-CG1 3.16Å; D261-I265 PolarHBondContact O-N 2.86Å; D262-I265 PolarHBondContact O-N 2.88Å; I265-G269 CarbonylContact O-C 3.42Å; I265-G269 VanDerWaalsContact O-C 3.27Å; I265-G269 WeakPolarHBondContact O-CA 3.39Å; I265-G269 PolarHBondContact O-N 2.77Å; I265-K270 HydrophobicContact CG2-CG 3.62Å; I265-V273 HydrophobicContact CG1-CG1 4.43Å; I265-V273 HydrophobicContact CG1-CG2 4.29Å; I265-M306 HydrophobicContact CD1-CB 3.75Å; I265-M306 HydrophobicContact CD1-CG 4.45Å; I265-M306 HydrophobicContact CD1-SD 4.04Å; I265-M306 HydrophobicContact CG1-SD 4.01Å
266	R	81	Confident	81.6	Confident	154 Å²	154	37.7 Å²	37.7	58%	0.581	18%	0.178	S	C	*	.	H	α-helix	trans	-72.4	-34.2	175.3	-72.8	179.3	-162.7	-158.1	12.2	113.4	D262 V264	D262-R266 WeakPolarHBondContact O-CB 3.45Å; D262-R266 VanDerWaalsContact O-CG 3.25Å; D262-R266 WeakPolarHBondContact O-CG 3.41Å; D262-R266 PolarHBondContact O-N 3.47Å; D262-R266 IonicContact OD1-NE 3.74Å; D262-R266 PolarHBondContact OD1-NE 2.75Å; D262-R266 IonicContact OD1-NH2 3.76Å; D262-R266 IonicContact OD2-CZ 3.95Å; D262-R266 IonicContact OD2-NE 2.71Å; D262-R266 PolarHBondContact OD2-NE 3.47Å; D262-R266 IonicContact OD2-NH2 3.2Å; D262-R266 PolarHBondContact OD2-NH2 3.43Å; V264-R266 VanDerWaalsContact C-N 3.3Å; V264-R266 PolarHBondContact O-N 2.86Å
267	F	75.4	Confident	81	Confident	132 Å²	132	37.6 Å²	37.6	58%	0.579	18%	0.177	S	C	*	.	H	α-helix	trans	-74.4	-43	-178.2	-175.9	-105.3	0	0	0	112.4	S263 V264	S263-F267 WeakPolarHBondContact O-CB 3.41Å; S263-F267 PolarHBondContact O-N 3.16Å; V264-F267 PolarHBondContact O-N 3.13Å; V264-F267 VanDerWaalsContact O-N 3.14Å
268	H	68.4	Low	80.1	Confident	13 Å²	13	37.7 Å²	37.7	6%	0.06	18%	0.178	C	C	.	.	H	α-helix	trans	-87.5	-17.4	176.4	-68.7	-90.1	0	0	0	113.8	V264 V273 Y276 E383	V264-H268 PolarHBondContact O-CD2 2.53Å; V264-H268 PolarHBondContact O-N 3.39Å; H268-V273 HydrophobicContact CB-CB 3.97Å; H268-V273 HydrophobicContact CB-CG2 4.3Å; H268-Y276 AromaticContact CD2-CD1 3.75Å; H268-Y276 AromaticContact CD2-CE1 3.93Å; H268-Y276 AromaticContact CE1-CD1 3.32Å; H268-Y276 WeakPolarHBondContact CE1-CD1 3.35Å; H268-Y276 AromaticContact CE1-CD2 3.51Å; H268-Y276 AromaticContact CE1-CE1 3.35Å; H268-Y276 WeakPolarHBondContact CE1-CE1 3.45Å; H268-Y276 AromaticContact CE1-CE2 3.56Å; H268-Y276 AromaticContact CE1-CG 3.39Å; H268-Y276 AromaticContact CE1-CZ 3.48Å; H268-Y276 VanDerWaalsContact CE1-CZ 3.48Å; H268-Y276 AromaticContact CG-CD1 3.86Å; H268-Y276 AromaticContact ND1-CD1 3.59Å; H268-Y276 AromaticContact ND1-CD2 3.83Å; H268-Y276 AromaticContact ND1-CG 3.43Å; H268-Y276 AromaticContact NE2-CD1 3.42Å; H268-Y276 WeakPolarHBondContact NE2-CD1 3.4Å; H268-Y276 AromaticContact NE2-CE1 3.21Å; H268-Y276 WeakPolarHBondContact NE2-CE1 3.35Å; H268-Y276 AromaticContact NE2-CG 3.99Å; H268-Y276 AromaticContact NE2-CZ 3.65Å; H268-E383 IonicContact CD2-OE2 2.66Å; H268-E383 IonicContact NE2-OE1 2.67Å; H268-E383 IonicContact NE2-OE2 3.96Å; H268-E383 PolarHBondContact NE2-OE2 3.09Å
269	G	69	Low	78.8	Confident	26 Å²	26	37.8 Å²	37.8	27%	0.268	18%	0.178	S	C	.	.			trans	81.8	143.7	-173.2	0	0	0	0	0	112.7	I265 E271 H272 V273	I265-G269 CarbonylContact O-C 3.42Å; I265-G269 VanDerWaalsContact O-C 3.27Å; I265-G269 WeakPolarHBondContact O-CA 3.39Å; I265-G269 PolarHBondContact O-N 2.77Å; G269-E271 PolarHBondContact O-N 2.84Å; G269-H272 PolarHBondContact O-N 2.9Å; G269-H272 VanDerWaalsContact O-N 3.14Å; G269-V273 WeakPolarHBondContact O-CB 3.26Å; G269-V273 WeakPolarHBondContact O-CG1 3.25Å; G269-V273 PolarHBondContact O-N 3.19Å
270	K	71.5	Confident	78.1	Confident	106 Å²	106	37.7 Å²	37.7	46%	0.461	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-28.8	-177.1	-76.2	-164.7	171.8	-169.5	0	113.7	W127 E129 I265	W127-K270 HydrophobicContact CE3-CD 4.49Å; W127-K270 HydrophobicContact CH2-CB 3.86Å; W127-K270 HydrophobicContact CH2-CD 4.3Å; W127-K270 HydrophobicContact CH2-CG 3.9Å; W127-K270 WeakPolarHBondContact CH2-O 3.4Å; W127-K270 HydrophobicContact CZ3-CB 4.27Å; W127-K270 HydrophobicContact CZ3-CD 3.88Å; W127-K270 HydrophobicContact CZ3-CG 3.78Å; E129-K270 IonicContact OE1-NZ 3.96Å; E129-K270 PolarHBondContact OE1-NZ 2.73Å; I265-K270 HydrophobicContact CG2-CG 3.62Å
271	E	64.6	Low	77.6	Confident	172 Å²	172	37.7 Å²	37.7	80%	0.804	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-27.1	-177.4	-64	177.6	-168.1	0	0	113.8	G269	G269-E271 PolarHBondContact O-N 2.84Å
272	H	65.2	Low	77	Confident	46 Å²	46	37.7 Å²	37.7	21%	0.213	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.3	-19.4	-176.2	-48.7	-77.7	0	0	0	114	D163 G184 G269 Q274 N275 Y276	D163-H272 IonicContact OD2-CE1 2.66Å; D163-H272 IonicContact OD2-ND1 3.12Å; D163-H272 PolarHBondContact OD2-ND1 3Å; G184-H272 PolarHBondContact N-CE1 2.79Å; G269-H272 PolarHBondContact O-N 2.9Å; G269-H272 VanDerWaalsContact O-N 3.14Å; H272-Q274 VanDerWaalsContact C-N 3.29Å; H272-Q274 PolarHBondContact O-N 2.98Å; H272-N275 PolarHBondContact O-N 3Å; H272-N275 VanDerWaalsContact O-N 3.09Å; H272-Y276 PolarHBondContact O-N 3.11Å; H272-Y276 VanDerWaalsContact O-N 3.1Å
273	V	76.4	Confident	76.2	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-56.8	-37.8	-175.2	63.9	0	0	0	0	113.2	W127 V260 V264 I265 H268 G269 N275 Y276 V277 M306	W127-V273 HydrophobicContact CH2-CG1 4.09Å; V260-V273 HydrophobicContact CG1-CG2 3.87Å; V264-V273 HydrophobicContact CG1-CG2 4.13Å; I265-V273 HydrophobicContact CG1-CG1 4.43Å; I265-V273 HydrophobicContact CG1-CG2 4.29Å; H268-V273 HydrophobicContact CB-CB 3.97Å; H268-V273 HydrophobicContact CB-CG2 4.3Å; G269-V273 WeakPolarHBondContact O-CB 3.26Å; G269-V273 WeakPolarHBondContact O-CG1 3.25Å; G269-V273 PolarHBondContact O-N 3.19Å; V273-N275 PolarHBondContact O-N 3.28Å; V273-Y276 PolarHBondContact O-N 3.41Å; V273-V277 HydrophobicContact CG2-CG2 4.12Å; V273-V277 WeakPolarHBondContact O-CB 3.37Å; V273-V277 VanDerWaalsContact O-CG2 3.26Å; V273-V277 WeakPolarHBondContact O-CG2 3.32Å; V273-V277 PolarHBondContact O-N 2.76Å; V273-M306 HydrophobicContact CG1-CE 3.91Å; V273-M306 HydrophobicContact CG1-SD 3.97Å; V273-M306 HydrophobicContact CG2-SD 4.42Å
274	Q	77.5	Confident	76	Confident	27 Å²	27	35.5 Å²	35.5	13%	0.126	16%	0.164	C	C	.	.	H	α-helix	trans	-60.2	-45.8	176.3	177	177.3	-22.6	0	0	112	V125 H272 V277 L278 M304 M306	V125-Q274 HydrophobicContact CG2-CG 4.1Å; H272-Q274 VanDerWaalsContact C-N 3.29Å; H272-Q274 PolarHBondContact O-N 2.98Å; Q274-V277 PolarHBondContact O-N 2.93Å; Q274-L278 HydrophobicContact CG-CD1 4.04Å; Q274-L278 WeakPolarHBondContact O-CB 3.24Å; Q274-L278 VanDerWaalsContact O-CG 3.29Å; Q274-L278 WeakPolarHBondContact O-CG 3.41Å; Q274-L278 PolarHBondContact O-N 3.06Å; Q274-M304 HydrophobicContact CG-SD 4.42Å; Q274-M306 HydrophobicContact CB-CE 4.12Å
275	N	68.4	Low	75.9	Confident	41 Å²	41	35.6 Å²	35.6	22%	0.219	16%	0.164	C	C	.	.	H	α-helix	trans	-67.9	-40.7	-178.8	-66	-12.9	0	0	0	111.1	C162 H272 V273 T279	C162-N275 HydrophobicContact CB-CB 3.95Å; C162-N275 VanDerWaalsContact CB-CG 3.42Å; C162-N275 WeakPolarHBondContact CB-ND2 3.32Å; H272-N275 PolarHBondContact O-N 3Å; H272-N275 VanDerWaalsContact O-N 3.09Å; V273-N275 PolarHBondContact O-N 3.28Å; N275-T279 WeakPolarHBondContact O-CB 3.34Å; N275-T279 PolarHBondContact O-N 2.99Å; N275-T279 PolarHBondContact O-OG1 2.83Å
276	Y	76	Confident	75.5	Confident	16 Å²	16	37 Å²	37	6%	0.063	17%	0.171	C	C	.	.	H	α-helix	trans	-58.3	-49.7	173.8	173.1	-110.3	0	0	0	111.8	H268 H272 V273 T279 L280 E383 G385 F386	H268-Y276 AromaticContact CD2-CD1 3.75Å; H268-Y276 AromaticContact CD2-CE1 3.93Å; H268-Y276 AromaticContact CE1-CD1 3.32Å; H268-Y276 WeakPolarHBondContact CE1-CD1 3.35Å; H268-Y276 AromaticContact CE1-CD2 3.51Å; H268-Y276 AromaticContact CE1-CE1 3.35Å; H268-Y276 WeakPolarHBondContact CE1-CE1 3.45Å; H268-Y276 AromaticContact CE1-CE2 3.56Å; H268-Y276 AromaticContact CE1-CG 3.39Å; H268-Y276 AromaticContact CE1-CZ 3.48Å; H268-Y276 VanDerWaalsContact CE1-CZ 3.48Å; H268-Y276 AromaticContact CG-CD1 3.86Å; H268-Y276 AromaticContact ND1-CD1 3.59Å; H268-Y276 AromaticContact ND1-CD2 3.83Å; H268-Y276 AromaticContact ND1-CG 3.43Å; H268-Y276 AromaticContact NE2-CD1 3.42Å; H268-Y276 WeakPolarHBondContact NE2-CD1 3.4Å; H268-Y276 AromaticContact NE2-CE1 3.21Å; H268-Y276 WeakPolarHBondContact NE2-CE1 3.35Å; H268-Y276 AromaticContact NE2-CG 3.99Å; H268-Y276 AromaticContact NE2-CZ 3.65Å; H272-Y276 PolarHBondContact O-N 3.11Å; H272-Y276 VanDerWaalsContact O-N 3.1Å; V273-Y276 PolarHBondContact O-N 3.41Å; Y276-T279 WeakPolarHBondContact O-CB 3.43Å; Y276-T279 PolarHBondContact O-N 2.74Å; Y276-L280 PolarHBondContact O-N 2.92Å; Y276-E383 HydrophobicContact CE1-CG 3.9Å; Y276-E383 PolarHBondContact OH-OE1 2.86Å; Y276-G385 WeakPolarHBondContact OH-CA 3.33Å; Y276-G385 PolarHBondContact OH-N 3.09Å; Y276-G385 PolarHBondContact OH-O 2.83Å; Y276-F386 HydrophobicContact CD2-CD1 4.19Å; Y276-F386 AromaticContact CD2-CE1 3.36Å; Y276-F386 HydrophobicContact CD2-CE1 3.36Å; Y276-F386 HydrophobicContact CD2-CE2 4.5Å; Y276-F386 AromaticContact CD2-CZ 3.56Å; Y276-F386 HydrophobicContact CD2-CZ 3.56Å; Y276-F386 AromaticContact CE2-CD1 3.62Å; Y276-F386 HydrophobicContact CE2-CD1 3.62Å; Y276-F386 AromaticContact CE2-CE1 3.27Å; Y276-F386 HydrophobicContact CE2-CE1 3.27Å; Y276-F386 HydrophobicContact CE2-CE2 4.35Å; Y276-F386 HydrophobicContact CE2-CG 4.28Å; Y276-F386 AromaticContact CE2-CZ 3.69Å; Y276-F386 HydrophobicContact CE2-CZ 3.69Å; Y276-F386 HydrophobicContact CG-CE1 4.49Å
277	V	81.9	Confident	75.7	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-68.3	-37.2	-177.1	171.1	0	0	0	0	112.1	L258 V260 V273 Q274 T279 L280 M281 M304 L352	L258-V277 HydrophobicContact CD2-CG1 3.29Å; L258-V277 HydrophobicContact CG-CG1 3.98Å; V260-V277 HydrophobicContact CG1-CG2 4.17Å; V260-V277 HydrophobicContact CG2-CG1 3.97Å; V260-V277 HydrophobicContact CG2-CG2 3.98Å; V273-V277 HydrophobicContact CG2-CG2 4.12Å; V273-V277 WeakPolarHBondContact O-CB 3.37Å; V273-V277 VanDerWaalsContact O-CG2 3.26Å; V273-V277 WeakPolarHBondContact O-CG2 3.32Å; V273-V277 PolarHBondContact O-N 2.76Å; Q274-V277 PolarHBondContact O-N 2.93Å; V277-T279 VanDerWaalsContact C-N 3.33Å; V277-L280 PolarHBondContact O-N 2.74Å; V277-M281 WeakPolarHBondContact O-CG 3.48Å; V277-M281 PolarHBondContact O-N 3.24Å; V277-M281 VanDerWaalsContact O-N 3.11Å; V277-M304 HydrophobicContact CG1-CE 4.14Å; V277-M304 HydrophobicContact CG1-SD 4.33Å; V277-L352 HydrophobicContact CG1-CD1 4.21Å; V277-L352 HydrophobicContact CG2-CD1 4.19Å
278	L	75.8	Confident	76.3	Confident	2 Å²	2	23.3 Å²	23.3	1%	0.01	12%	0.115	C	C	.	.	H	α-helix	trans	-62.4	-40.4	170.9	-71.8	170.2	0	0	0	112.1	V119 I139 V144 Q274 M281 N282 L301 M304	V119-L278 HydrophobicContact CG2-CD2 4.33Å; I139-L278 HydrophobicContact CG2-CD1 4.13Å; I139-L278 HydrophobicContact CG2-CD2 3.84Å; V144-L278 HydrophobicContact CG2-CB 4.28Å; Q274-L278 HydrophobicContact CG-CD1 4.04Å; Q274-L278 WeakPolarHBondContact O-CB 3.24Å; Q274-L278 VanDerWaalsContact O-CG 3.29Å; Q274-L278 WeakPolarHBondContact O-CG 3.41Å; Q274-L278 PolarHBondContact O-N 3.06Å; L278-M281 PolarHBondContact O-N 2.93Å; L278-N282 PolarHBondContact O-N 2.93Å; L278-N282 VanDerWaalsContact O-N 3.1Å; L278-L301 HydrophobicContact CD2-CD1 3.79Å; L278-M304 HydrophobicContact CD2-CE 3.77Å; L278-M304 HydrophobicContact CG-CE 4.05Å
279	T	67.9	Low	77	Confident	2 Å²	2	25.9 Å²	25.9	1%	0.012	13%	0.127	C	C	.	.	H	α-helix	trans	-64.4	-42.7	176.4	-52.9	0	0	0	0	111.3	S160 A166 N275 Y276 V277 M281 N282 I283 F386	S160-T279 WeakPolarHBondContact CB-OG1 3.07Å; A166-T279 HydrophobicContact CB-CG2 4.25Å; A166-T279 WeakPolarHBondContact O-CG2 3.13Å; N275-T279 WeakPolarHBondContact O-CB 3.34Å; N275-T279 PolarHBondContact O-N 2.99Å; N275-T279 PolarHBondContact O-OG1 2.83Å; Y276-T279 WeakPolarHBondContact O-CB 3.43Å; Y276-T279 PolarHBondContact O-N 2.74Å; V277-T279 VanDerWaalsContact C-N 3.33Å; T279-M281 PolarHBondContact O-N 3.1Å; T279-N282 WeakPolarHBondContact O-CB 3.3Å; T279-N282 PolarHBondContact O-N 3.37Å; T279-I283 WeakPolarHBondContact O-CG1 3.09Å; T279-I283 PolarHBondContact O-N 3.46Å; T279-F386 HydrophobicContact CG2-CD1 4.24Å; T279-F386 HydrophobicContact CG2-CE1 3.48Å; T279-F386 VanDerWaalsContact CG2-CE1 3.48Å; T279-F386 HydrophobicContact CG2-CZ 3.68Å
280	L	79.6	Confident	77.6	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-58.7	-48.1	177.3	-169.6	73.9	0	0	0	111.4	Y276 V277 N282 I283 V284 L352 F386 S388 A389	Y276-L280 PolarHBondContact O-N 2.92Å; V277-L280 PolarHBondContact O-N 2.74Å; L280-N282 VanDerWaalsContact C-N 3.34Å; L280-N282 PolarHBondContact O-N 2.97Å; L280-I283 WeakPolarHBondContact O-CB 3.03Å; L280-I283 PolarHBondContact O-N 2.92Å; L280-I283 VanDerWaalsContact O-N 3.14Å; L280-V284 PolarHBondContact O-N 2.7Å; L280-L352 HydrophobicContact CD2-CD1 3.78Å; L280-L352 HydrophobicContact CD2-CD2 4.26Å; L280-F386 HydrophobicContact CD1-CD1 4.08Å; L280-S388 WeakPolarHBondContact CD1-OG 3.3Å; L280-A389 HydrophobicContact CD1-CB 3.89Å; L280-A389 HydrophobicContact CG-CB 4.35Å
281	M	85.1	Confident	78	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-68.6	-30.5	-179.5	-65.9	-54.9	-51.2	0	0	113.5	L118 L258 V277 L278 T279 I283 V284 D285 I299 L301 I350	L118-M281 HydrophobicContact CD1-CB 4.06Å; L258-M281 HydrophobicContact CD1-SD 4.15Å; L258-M281 HydrophobicContact CD2-CG 3.42Å; L258-M281 VanDerWaalsContact CD2-CG 3.42Å; L258-M281 HydrophobicContact CD2-SD 3.95Å; V277-M281 WeakPolarHBondContact O-CG 3.48Å; V277-M281 PolarHBondContact O-N 3.24Å; V277-M281 VanDerWaalsContact O-N 3.11Å; L278-M281 PolarHBondContact O-N 2.93Å; T279-M281 PolarHBondContact O-N 3.1Å; M281-I283 PolarHBondContact O-N 3.27Å; M281-V284 HydrophobicContact CE-CB 4.16Å; M281-V284 HydrophobicContact CE-CG1 4.28Å; M281-V284 HydrophobicContact CE-CG2 4.34Å; M281-V284 WeakPolarHBondContact O-CB 3.41Å; M281-V284 PolarHBondContact O-N 3.45Å; M281-V284 VanDerWaalsContact O-N 3.14Å; M281-V284 HydrophobicContact SD-CG2 4.31Å; M281-D285 PolarHBondContact O-N 2.84Å; M281-I299 HydrophobicContact CE-CG2 3.62Å; M281-L301 HydrophobicContact CB-CD1 4.04Å; M281-L301 HydrophobicContact CE-CD2 4.41Å; M281-L301 HydrophobicContact CG-CD1 4.14Å; M281-L301 HydrophobicContact CG-CD2 4.13Å; M281-I350 HydrophobicContact CE-CD1 3.66Å; M281-I350 HydrophobicContact SD-CD1 4.3Å
282	N	78.2	Confident	78.8	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-62.5	-31.5	172.4	-168.7	63.6	0	0	0	112.3	N115 L118 V144 F145 T146 I159 L278 T279 L280 E286	N115-N282 WeakPolarHBondContact CB-OD1 3.46Å; N115-N282 PolarHBondContact ND2-OD1 3.41Å; L118-N282 HydrophobicContact CD2-CB 3.62Å; V144-N282 HydrophobicContact CG1-CB 3.66Å; V144-N282 WeakPolarHBondContact CG1-OD1 3.46Å; F145-N282 PolarHBondContact O-ND2 3.21Å; T146-N282 WeakPolarHBondContact CG2-ND2 3.08Å; T146-N282 VanDerWaalsContact CG2-OD1 3.25Å; T146-N282 WeakPolarHBondContact CG2-OD1 3.16Å; I159-N282 PolarHBondContact N-ND2 2.02Å; L278-N282 PolarHBondContact O-N 2.93Å; L278-N282 VanDerWaalsContact O-N 3.1Å; T279-N282 WeakPolarHBondContact O-CB 3.3Å; T279-N282 PolarHBondContact O-N 3.37Å; L280-N282 VanDerWaalsContact C-N 3.34Å; L280-N282 PolarHBondContact O-N 2.97Å; N282-E286 PolarHBondContact O-N 2.89Å
283	I	73.9	Confident	79.8	Confident	1 Å²	1	20.5 Å²	20.5	1%	0.005	10%	0.101	C	C	.	.	H	α-helix	trans	-73.8	-37.9	173.4	-59.2	164.2	0	0	0	110.3	A158 L168 T279 L280 M281 E286 I287 F386 A389	A158-I283 HydrophobicContact CB-CG1 4.05Å; L168-I283 HydrophobicContact CB-CD1 4.02Å; L168-I283 HydrophobicContact CB-CG1 3.99Å; L168-I283 HydrophobicContact CB-CG2 4.24Å; L168-I283 HydrophobicContact CD2-CG2 3.75Å; T279-I283 WeakPolarHBondContact O-CG1 3.09Å; T279-I283 PolarHBondContact O-N 3.46Å; L280-I283 WeakPolarHBondContact O-CB 3.03Å; L280-I283 PolarHBondContact O-N 2.92Å; L280-I283 VanDerWaalsContact O-N 3.14Å; M281-I283 PolarHBondContact O-N 3.27Å; I283-E286 PolarHBondContact O-N 2.84Å; I283-I287 HydrophobicContact CG2-CD1 4.01Å; I283-I287 WeakPolarHBondContact O-CD1 3.38Å; I283-I287 VanDerWaalsContact O-CG1 3.24Å; I283-I287 WeakPolarHBondContact O-CG1 3.39Å; I283-I287 PolarHBondContact O-N 3.23Å; I283-F386 HydrophobicContact CD1-CB 3.93Å; I283-F386 HydrophobicContact CD1-CD1 3.92Å; I283-F386 HydrophobicContact CD1-CG 4.07Å; I283-A389 HydrophobicContact CB-CB 3.79Å; I283-A389 HydrophobicContact CG2-CB 3.58Å
284	V	85.1	Confident	79.9	Confident	1 Å²	1	22.8 Å²	22.8	1%	0.006	12%	0.124	C	C	.	.	H	α-helix	trans	-62.8	-43.8	174.9	-178.1	0	0	0	0	111.3	L280 M281 E286 I287 Y288 I299 A389 V392	L280-V284 PolarHBondContact O-N 2.7Å; M281-V284 HydrophobicContact CE-CB 4.16Å; M281-V284 HydrophobicContact CE-CG1 4.28Å; M281-V284 HydrophobicContact CE-CG2 4.34Å; M281-V284 WeakPolarHBondContact O-CB 3.41Å; M281-V284 PolarHBondContact O-N 3.45Å; M281-V284 VanDerWaalsContact O-N 3.14Å; M281-V284 HydrophobicContact SD-CG2 4.31Å; V284-E286 PolarHBondContact O-N 2.99Å; V284-I287 WeakPolarHBondContact O-CB 3.23Å; V284-I287 PolarHBondContact O-N 3.18Å; V284-Y288 HydrophobicContact CG1-CD2 4.09Å; V284-Y288 HydrophobicContact CG1-CE2 4.12Å; V284-Y288 WeakPolarHBondContact O-CD2 3.44Å; V284-Y288 PolarHBondContact O-N 2.98Å; V284-Y288 VanDerWaalsContact O-N 3.17Å; V284-I299 HydrophobicContact CG1-CG1 4.39Å; V284-A389 HydrophobicContact CG2-CB 3.85Å; V284-V392 HydrophobicContact CG1-CG1 4.08Å; V284-V392 HydrophobicContact CG2-CB 3.91Å; V284-V392 HydrophobicContact CG2-CG1 3.81Å
285	D	85.4	Confident	80	Confident	2 Å²	2	22.4 Å²	22.4	1%	0.011	12%	0.124	C	C	.	.	H	α-helix	trans	-57.5	-47.8	176.5	-166.2	35.9	0	0	0	111.5	N115 L118 M281 I287 Y288 H289 I299	N115-D285 PolarHBondContact ND2-OD2 3.19Å; L118-D285 HydrophobicContact CD1-CB 3.94Å; M281-D285 PolarHBondContact O-N 2.84Å; D285-I287 VanDerWaalsContact C-N 3.31Å; D285-I287 PolarHBondContact O-N 3.21Å; D285-Y288 PolarHBondContact O-N 2.7Å; D285-Y288 VanDerWaalsContact O-N 3.13Å; D285-H289 PolarHBondContact O-N 2.86Å; D285-H289 VanDerWaalsContact O-N 3.1Å; D285-H289 PolarHBondContact O-ND1 3.05Å; D285-H289 IonicContact OD1-CE1 3.31Å; D285-H289 PolarHBondContact OD1-CE1 2.6Å; D285-H289 VanDerWaalsContact OD1-CE1 3.27Å; D285-H289 IonicContact OD1-ND1 3.2Å; D285-I299 HydrophobicContact CB-CB 4.09Å; D285-I299 HydrophobicContact CB-CG1 4.43Å; D285-I299 PolarHBondContact OD1-N 2.86Å
286	E	79.7	Confident	80.6	Confident	35 Å²	35	22.9 Å²	22.9	16%	0.164	13%	0.126	C	C	.	.	H	α-helix	trans	-71.3	-19.1	177.3	-72	-88.3	137.8	0	0	114.2	T146 A158 N282 I283 V284	T146-E286 WeakPolarHBondContact CB-OE1 3.39Å; T146-E286 HydrophobicContact CG2-CG 3.37Å; T146-E286 VanDerWaalsContact CG2-OE1 3.26Å; T146-E286 WeakPolarHBondContact CG2-OE1 3.37Å; T146-E286 PolarHBondContact OG1-OE1 2.02Å; A158-E286 HydrophobicContact CB-CB 4.19Å; A158-E286 HydrophobicContact CB-CG 3.92Å; N282-E286 PolarHBondContact O-N 2.89Å; I283-E286 PolarHBondContact O-N 2.84Å; V284-E286 PolarHBondContact O-N 2.99Å
287	I	83.6	Confident	81.1	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-73.6	-35.3	169.3	-71.1	162.1	0	0	0	110.6	I283 V284 D285 A389 F390 A393 I420 Y432 W434	I283-I287 HydrophobicContact CG2-CD1 4.01Å; I283-I287 WeakPolarHBondContact O-CD1 3.38Å; I283-I287 VanDerWaalsContact O-CG1 3.24Å; I283-I287 WeakPolarHBondContact O-CG1 3.39Å; I283-I287 PolarHBondContact O-N 3.23Å; V284-I287 WeakPolarHBondContact O-CB 3.23Å; V284-I287 PolarHBondContact O-N 3.18Å; D285-I287 VanDerWaalsContact C-N 3.31Å; D285-I287 PolarHBondContact O-N 3.21Å; I287-A389 HydrophobicContact CD1-CB 4.41Å; I287-F390 HydrophobicContact CD1-CD1 3.56Å; I287-F390 HydrophobicContact CD1-CE1 3.56Å; I287-F390 HydrophobicContact CD1-CG 4.11Å; I287-F390 HydrophobicContact CD1-CZ 4.11Å; I287-F390 HydrophobicContact CG1-CD1 4.32Å; I287-F390 HydrophobicContact CG1-CE1 3.95Å; I287-A393 HydrophobicContact CB-CB 4.35Å; I287-A393 HydrophobicContact CD1-CB 4.35Å; I287-A393 HydrophobicContact CG2-CB 3.67Å; I287-I420 HydrophobicContact CG2-CD1 3.56Å; I287-I420 HydrophobicContact CG2-CG1 4.4Å; I287-Y432 HydrophobicContact CG1-CE2 4.02Å; I287-W434 HydrophobicContact CG2-CZ2 3.92Å; I287-W434 PolarHBondContact O-NE1 2.03Å
288	Y	88.6	Confident	81.3	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-79.1	-19.9	176.8	-86	-72.6	0	0	0	114.5	V284 D285 D290 L293 I297 I299 A393 T396 G397 L400 W434	V284-Y288 HydrophobicContact CG1-CD2 4.09Å; V284-Y288 HydrophobicContact CG1-CE2 4.12Å; V284-Y288 WeakPolarHBondContact O-CD2 3.44Å; V284-Y288 PolarHBondContact O-N 2.98Å; V284-Y288 VanDerWaalsContact O-N 3.17Å; D285-Y288 PolarHBondContact O-N 2.7Å; D285-Y288 VanDerWaalsContact O-N 3.13Å; Y288-D290 VanDerWaalsContact C-N 3.32Å; Y288-L293 HydrophobicContact CD1-CD2 3.8Å; Y288-L293 HydrophobicContact CE1-CD2 4.38Å; Y288-I297 WeakPolarHBondContact CB-O 3.31Å; Y288-I297 HydrophobicContact CD1-CB 4.19Å; Y288-I297 HydrophobicContact CD1-CD1 4.21Å; Y288-I297 HydrophobicContact CD1-CG2 4.38Å; Y288-I299 HydrophobicContact CD2-CD1 3.72Å; Y288-I299 HydrophobicContact CD2-CG1 3.87Å; Y288-I299 HydrophobicContact CE2-CD1 4.11Å; Y288-I299 HydrophobicContact CG-CD1 4.23Å; Y288-I299 HydrophobicContact CG-CG1 4.4Å; Y288-A393 HydrophobicContact CE2-CB 4.2Å; Y288-A393 PolarHBondContact OH-O 3.48Å; Y288-A393 VanDerWaalsContact OH-O 3.07Å; Y288-T396 HydrophobicContact CE2-CG2 4.35Å; Y288-T396 VanDerWaalsContact OH-CB 3.26Å; Y288-T396 WeakPolarHBondContact OH-CB 3.29Å; Y288-T396 WeakPolarHBondContact OH-CG2 3.29Å; Y288-G397 PolarHBondContact OH-N 2.87Å; Y288-G397 VanDerWaalsContact OH-N 3.14Å; Y288-L400 HydrophobicContact CE1-CD1 3.78Å; Y288-W434 HydrophobicContact CD1-CH2 4.36Å; Y288-W434 AromaticContact CD1-CZ2 3.8Å; Y288-W434 HydrophobicContact CD1-CZ2 3.8Å; Y288-W434 AromaticContact CE1-CH2 3.67Å; Y288-W434 HydrophobicContact CE1-CH2 3.67Å; Y288-W434 AromaticContact CE1-CZ2 3.58Å; Y288-W434 HydrophobicContact CE1-CZ2 3.58Å; Y288-W434 HydrophobicContact CE2-CZ2 4.43Å; Y288-W434 HydrophobicContact CG-CZ2 4.31Å; Y288-W434 AromaticContact CZ-CH2 3.77Å; Y288-W434 AromaticContact CZ-CZ2 3.92Å
289	H	83.7	Confident	81.9	Confident	67 Å²	67	22.3 Å²	22.3	31%	0.31	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-0.5	172.2	-75.7	83.8	0	0	0	114.3	D285 N296	D285-H289 PolarHBondContact O-N 2.86Å; D285-H289 VanDerWaalsContact O-N 3.1Å; D285-H289 PolarHBondContact O-ND1 3.05Å; D285-H289 IonicContact OD1-CE1 3.31Å; D285-H289 PolarHBondContact OD1-CE1 2.6Å; D285-H289 VanDerWaalsContact OD1-CE1 3.27Å; D285-H289 IonicContact OD1-ND1 3.2Å; H289-N296 PolarHBondContact CD2-OD1 3.14Å
290	D	82.1	Confident	82.9	Confident	24 Å²	24	22.2 Å²	22.2	13%	0.128	12%	0.124	C	C	.	.			trans	-70.5	131.2	-177.7	-170	-87.2	0	0	0	113.1	R170 Y288 S292 L293	R170-D290 IonicContact CZ-OD2 2.88Å; R170-D290 IonicContact NH1-OD2 3.63Å; R170-D290 PolarHBondContact NH1-OD2 2.68Å; R170-D290 IonicContact NH2-OD2 2.71Å; Y288-D290 VanDerWaalsContact C-N 3.32Å; D290-S292 PolarHBondContact O-N 2.78Å; D290-S292 VanDerWaalsContact OD1-CB 3.25Å; D290-S292 WeakPolarHBondContact OD1-CB 3.41Å; D290-S292 PolarHBondContact OD1-N 3.04Å; D290-S292 PolarHBondContact OD1-OG 2.85Å; D290-L293 WeakPolarHBondContact O-CB 3.13Å; D290-L293 PolarHBondContact O-N 3.05Å
291	E	78.8	Confident	83.3	Confident	182 Å²	182	22.2 Å²	22.2	85%	0.85	12%	0.124	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-25.5	-173.9	-62.2	-165.3	162.1	0	0	114.2	L293 G294	E291-L293 VanDerWaalsContact C-N 3.26Å; E291-L293 PolarHBondContact O-N 3.05Å; E291-G294 PolarHBondContact O-N 2.61Å
292	S	82.5	Confident	83.4	Confident	31 Å²	31	22.2 Å²	22.2	22%	0.217	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-37.5	177.7	58.3	0	0	0	0	112.4	D290 G294 W434 K439	D290-S292 PolarHBondContact O-N 2.78Å; D290-S292 VanDerWaalsContact OD1-CB 3.25Å; D290-S292 WeakPolarHBondContact OD1-CB 3.41Å; D290-S292 PolarHBondContact OD1-N 3.04Å; D290-S292 PolarHBondContact OD1-OG 2.85Å; S292-G294 VanDerWaalsContact C-N 3.29Å; S292-G294 PolarHBondContact O-N 3.1Å; S292-W434 PolarHBondContact OG-N 3.18Å; S292-K439 WeakPolarHBondContact O-CD 3.46Å; S292-K439 PolarHBondContact O-NZ 3.43Å
293	L	86.4	Confident	83.9	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-35.6	176.1	-165.2	56.3	0	0	0	112.1	Y288 D290 E291 T295 I297 M402 W434 K439 L442	Y288-L293 HydrophobicContact CD1-CD2 3.8Å; Y288-L293 HydrophobicContact CE1-CD2 4.38Å; D290-L293 WeakPolarHBondContact O-CB 3.13Å; D290-L293 PolarHBondContact O-N 3.05Å; E291-L293 VanDerWaalsContact C-N 3.26Å; E291-L293 PolarHBondContact O-N 3.05Å; L293-T295 PolarHBondContact O-N 3.05Å; L293-I297 HydrophobicContact CD2-CD1 4.27Å; L293-M402 HydrophobicContact CD1-CE 4.07Å; L293-W434 HydrophobicContact CB-CB 4.33Å; L293-W434 HydrophobicContact CB-CG 3.95Å; L293-W434 HydrophobicContact CD1-CB 4.06Å; L293-W434 HydrophobicContact CD1-CD2 3.78Å; L293-W434 HydrophobicContact CD1-CE3 4.19Å; L293-W434 HydrophobicContact CD1-CG 3.74Å; L293-W434 HydrophobicContact CG-CG 4.34Å; L293-K439 WeakPolarHBondContact O-CE 3.49Å; L293-K439 WeakPolarHBondContact O-CG 3.23Å; L293-L442 HydrophobicContact CD1-CD2 3.56Å; L293-L442 HydrophobicContact CD2-CD2 3.99Å; L293-L442 HydrophobicContact CG-CD2 3.7Å
294	G	78.4	Confident	84.7	Confident	47 Å²	47	22.7 Å²	22.7	49%	0.485	13%	0.126	S	C	.	.			trans	61.7	21.4	179.6	0	0	0	0	0	115.5	E291 S292	E291-G294 PolarHBondContact O-N 2.61Å; S292-G294 VanDerWaalsContact C-N 3.29Å; S292-G294 PolarHBondContact O-N 3.1Å
295	T	79.3	Confident	85.1	Confident	20 Å²	20	22.7 Å²	22.7	12%	0.123	13%	0.125	C	C	.	.	S	Bend	trans	-144.7	131.6	168.9	-66.5	0	0	0	0	106.4	Y252 L293 I297 I446	Y252-T295 HydrophobicContact CD2-CG2 3.58Å; Y252-T295 HydrophobicContact CE2-CG2 3.53Å; L293-T295 PolarHBondContact O-N 3.05Å; T295-I297 HydrophobicContact CG2-CG1 4.38Å; T295-I446 HydrophobicContact CG2-CG1 4.46Å
296	N	79.9	Confident	85.3	Confident	50 Å²	50	22.6 Å²	22.6	27%	0.267	13%	0.125	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	121.8	-172.6	-167.5	38.3	0	0	0	110.1	D251 Y252 H289	D251-N296 PolarHBondContact OD1-ND2 2.67Å; Y252-N296 PolarHBondContact N-O 2.04Å; H289-N296 PolarHBondContact CD2-OD1 3.14Å
297	I	88.2	Confident	85.8	Confident	0 Å²	0	21 Å²	21	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	116.8	-177.2	-57	-176.5	0	0	0	108.9	I254 Y288 L293 T295 I299 L400 L442 I446	I254-I297 HydrophobicContact CD1-CG2 3.56Å; I254-I297 HydrophobicContact CG1-CG2 3.82Å; Y288-I297 WeakPolarHBondContact CB-O 3.31Å; Y288-I297 HydrophobicContact CD1-CB 4.19Å; Y288-I297 HydrophobicContact CD1-CD1 4.21Å; Y288-I297 HydrophobicContact CD1-CG2 4.38Å; L293-I297 HydrophobicContact CD2-CD1 4.27Å; T295-I297 HydrophobicContact CG2-CG1 4.38Å; I297-I299 HydrophobicContact CG2-CD1 4.37Å; I297-L400 HydrophobicContact CD1-CD1 4.21Å; I297-L442 HydrophobicContact CD1-CD1 4.33Å; I297-L442 HydrophobicContact CD1-CD2 4Å; I297-I446 HydrophobicContact CD1-CD1 4.37Å
298	N	85.3	Confident	86	Confident	4 Å²	4	21.3 Å²	21.3	2%	0.021	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	131	177.1	-54.2	-116.6	0	0	0	109	R117 Y252 N253 I254 V300	R117-N298 WeakPolarHBondContact CD-OD1 3.43Å; R117-N298 PolarHBondContact NH1-OD1 3.24Å; R117-N298 VanDerWaalsContact NH1-OD1 3.1Å; Y252-N298 PolarHBondContact O-N 2.81Å; Y252-N298 PolarHBondContact O-ND2 2.88Å; N253-N298 WeakPolarHBondContact OD1-CB 3.25Å; N253-N298 PolarHBondContact OD1-ND2 3.27Å; I254-N298 PolarHBondContact N-O 3.45Å; N298-V300 HydrophobicContact CB-CG2 4.2Å
299	I	89.1	Confident	85.8	Confident	2 Å²	2	27.4 Å²	27.4	1%	0.01	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	113.3	175.8	-58.4	-61	0	0	0	109.5	I254 V256 M281 V284 D285 Y288 I297	I254-I299 HydrophobicContact CB-CD1 4.31Å; I254-I299 HydrophobicContact CD1-CD1 3.9Å; I254-I299 HydrophobicContact CG1-CD1 4.5Å; V256-I299 HydrophobicContact CG2-CG2 4.06Å; M281-I299 HydrophobicContact CE-CG2 3.62Å; V284-I299 HydrophobicContact CG1-CG1 4.39Å; D285-I299 HydrophobicContact CB-CB 4.09Å; D285-I299 HydrophobicContact CB-CG1 4.43Å; D285-I299 PolarHBondContact OD1-N 2.86Å; Y288-I299 HydrophobicContact CD2-CD1 3.72Å; Y288-I299 HydrophobicContact CD2-CG1 3.87Å; Y288-I299 HydrophobicContact CE2-CD1 4.11Å; Y288-I299 HydrophobicContact CG-CD1 4.23Å; Y288-I299 HydrophobicContact CG-CG1 4.4Å; I297-I299 HydrophobicContact CG2-CD1 4.37Å
300	V	89.1	Confident	85.8	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	108.7	-167.1	-170.3	0	0	0	0	112.2	A120 N253 I254 V256 N298 V302 P456 F457	A120-V300 HydrophobicContact CB-CG1 3.75Å; N253-V300 HydrophobicContact CB-CG2 4.3Å; I254-V300 PolarHBondContact O-N 3.29Å; V256-V300 PolarHBondContact N-O 3.43Å; N298-V300 HydrophobicContact CB-CG2 4.2Å; V300-V302 PolarHBondContact O-N 3.48Å; V300-P456 HydrophobicContact CB-CG 4.31Å; V300-P456 HydrophobicContact CG1-CG 3.87Å; V300-P456 HydrophobicContact CG2-CG 4.2Å; V300-F457 HydrophobicContact CG1-CE2 3.69Å; V300-F457 HydrophobicContact CG1-CZ 3.82Å; V300-F457 HydrophobicContact CG2-CE2 4.03Å
301	L	88	Confident	85.9	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	112.3	176.2	-62.3	175.6	0	0	0	111.9	L118 V119 A120 A123 V256 L258 L278 M281	L118-L301 HydrophobicContact CG-CD1 4.4Å; L118-L301 VanDerWaalsContact O-CB 3.31Å; L118-L301 WeakPolarHBondContact O-CB 3.34Å; L118-L301 WeakPolarHBondContact O-CG 3.33Å; L118-L301 PolarHBondContact O-N 3.02Å; V119-L301 WeakPolarHBondContact CA-O 3.15Å; V119-L301 HydrophobicContact CG2-CB 4.4Å; V119-L301 HydrophobicContact CG2-CD1 4.48Å; A120-L301 PolarHBondContact N-O 3.18Å; A123-L301 WeakPolarHBondContact CB-O 3Å; V256-L301 HydrophobicContact CB-CD2 4.08Å; V256-L301 HydrophobicContact CG1-CD2 3.79Å; L258-L301 HydrophobicContact CB-CD2 3.97Å; L258-L301 HydrophobicContact CD2-CD1 4.41Å; L258-L301 HydrophobicContact CD2-CD2 3.76Å; L278-L301 HydrophobicContact CD2-CD1 3.79Å; M281-L301 HydrophobicContact CB-CD1 4.04Å; M281-L301 HydrophobicContact CE-CD2 4.41Å; M281-L301 HydrophobicContact CG-CD1 4.14Å; M281-L301 HydrophobicContact CG-CD2 4.13Å
302	V	87.3	Confident	86.3	Confident	1 Å²	1	22.3 Å²	22.3	1%	0.006	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	-36.8	178	-77.6	0	0	0	0	112.7	A120 A123 E255 V256 V300 Y345 H346	A120-V302 HydrophobicContact CB-CG1 3.65Å; A123-V302 VanDerWaalsContact CA-O 3.27Å; A123-V302 WeakPolarHBondContact CA-O 3.39Å; A123-V302 WeakPolarHBondContact CB-O 3.28Å; E255-V302 HydrophobicContact CB-CG1 3.91Å; E255-V302 HydrophobicContact CB-CG2 4.15Å; E255-V302 HydrophobicContact CG-CG1 3.9Å; E255-V302 VanDerWaalsContact OE1-CG1 3.23Å; E255-V302 WeakPolarHBondContact OE1-CG1 3.46Å; V256-V302 VanDerWaalsContact C-CG2 3.46Å; V256-V302 WeakPolarHBondContact O-CG2 3.36Å; V256-V302 PolarHBondContact O-N 2.03Å; V300-V302 PolarHBondContact O-N 3.48Å; V302-Y345 VanDerWaalsContact CG2-O 3.25Å; V302-Y345 WeakPolarHBondContact CG2-O 3.07Å; V302-H346 HydrophobicContact CG2-CB 3.92Å
303	R	88	Confident	86.4	Confident	11 Å²	11	24.4 Å²	24.4	4%	0.042	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	141.1	-179.9	-177.5	171.3	174.7	-144.6	-6.6	110.4	F124 E126 L257 L258 I305 Q335	F124-R303 HydrophobicContact CD2-CG 4.42Å; F124-R303 HydrophobicContact CE1-CG 4.46Å; F124-R303 HydrophobicContact CE2-CG 3.66Å; F124-R303 HydrophobicContact CZ-CB 4.37Å; F124-R303 HydrophobicContact CZ-CG 3.66Å; E126-R303 VanDerWaalsContact CD-NH2 3.29Å; E126-R303 IonicContact OE1-NH2 2.72Å; E126-R303 PolarHBondContact OE1-NH2 3.06Å; E126-R303 IonicContact OE2-CZ 3.43Å; E126-R303 IonicContact OE2-NE 3.22Å; E126-R303 PolarHBondContact OE2-NE 2.86Å; E126-R303 IonicContact OE2-NH2 2.83Å; E126-R303 PolarHBondContact OE2-NH2 2.98Å; L257-R303 HydrophobicContact CD1-CB 3.9Å; L257-R303 HydrophobicContact CD1-CG 3.87Å; L258-R303 PolarHBondContact N-O 3.35Å; R303-I305 HydrophobicContact CG-CG1 4.27Å; R303-Q335 PolarHBondContact NH1-O 3.24Å
304	M	90.6	Very high	86.4	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	131.8	175.4	-172.9	-173.7	-61.5	0	0	109.4	F124 V125 E126 I139 L258 Q274 V277 L278 M306	F124-M304 PolarHBondContact O-N 2.91Å; V125-M304 CarbonylContact C-O 3.55Å; V125-M304 VanDerWaalsContact CA-O 3.31Å; V125-M304 WeakPolarHBondContact CA-O 3.28Å; V125-M304 HydrophobicContact CG1-CG 4.41Å; V125-M304 HydrophobicContact CG1-SD 4.26Å; V125-M304 HydrophobicContact CG2-CB 4.22Å; V125-M304 HydrophobicContact CG2-CG 4.49Å; V125-M304 HydrophobicContact CG2-SD 3.86Å; E126-M304 PolarHBondContact N-O 3.33Å; I139-M304 HydrophobicContact CD1-CB 4.17Å; I139-M304 HydrophobicContact CD1-CE 4.3Å; L258-M304 HydrophobicContact CD2-CE 4.35Å; L258-M304 CarbonylContact O-C 3.5Å; L258-M304 VanDerWaalsContact O-CA 3.27Å; L258-M304 WeakPolarHBondContact O-CA 3.34Å; Q274-M304 HydrophobicContact CG-SD 4.42Å; V277-M304 HydrophobicContact CG1-CE 4.14Å; V277-M304 HydrophobicContact CG1-SD 4.33Å; L278-M304 HydrophobicContact CD2-CE 3.77Å; L278-M304 HydrophobicContact CG-CE 4.05Å; M304-M306 HydrophobicContact CG-CE 4.37Å; M304-M306 HydrophobicContact SD-CE 3.62Å
305	I	92.3	Very high	86.9	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	119.8	-179.6	-57.4	179	0	0	0	109.7	E126 Q128 L257 L258 A259 V260 R303 V307 W331 Q335	E126-I305 HydrophobicContact CB-CG1 4.34Å; E126-I305 WeakPolarHBondContact O-CA 3.19Å; Q128-I305 HydrophobicContact CB-CG2 4.46Å; Q128-I305 HydrophobicContact CG-CG2 3.89Å; L257-I305 HydrophobicContact CD1-CD1 3.82Å; L257-I305 HydrophobicContact CD1-CG1 4Å; L258-I305 PolarHBondContact O-N 2.93Å; A259-I305 WeakPolarHBondContact CA-O 3.22Å; V260-I305 PolarHBondContact N-O 3.17Å; R303-I305 HydrophobicContact CG-CG1 4.27Å; I305-V307 HydrophobicContact CG2-CG2 4.08Å; I305-W331 HydrophobicContact CB-CH2 4.3Å; I305-W331 HydrophobicContact CD1-CH2 4Å; I305-W331 HydrophobicContact CD1-CZ2 4.05Å; I305-W331 HydrophobicContact CG2-CH2 4.32Å; I305-W331 HydrophobicContact CG2-CZ2 4.15Å; I305-Q335 HydrophobicContact CD1-CB 4.46Å; I305-Q335 HydrophobicContact CD1-CG 3.99Å
306	M	90.2	Very high	87.4	Confident	1 Å²	1	25 Å²	25	1%	0.005	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	108.3	171.5	-62.4	-66.9	177.2	0	0	108.2	V125 E126 W127 Q128 V260 I265 V273 Q274 M304	V125-M306 HydrophobicContact CG1-CE 3.93Å; V125-M306 HydrophobicContact CG1-CG 3.7Å; E126-M306 PolarHBondContact O-N 3.46Å; W127-M306 HydrophobicContact CD2-CB 3.73Å; W127-M306 HydrophobicContact CD2-CG 3.9Å; W127-M306 HydrophobicContact CE3-CB 3.37Å; W127-M306 HydrophobicContact CE3-CG 3.85Å; W127-M306 HydrophobicContact CG-CB 4.34Å; W127-M306 HydrophobicContact CH2-CB 4.23Å; W127-M306 HydrophobicContact CH2-CG 3.87Å; W127-M306 HydrophobicContact CH2-SD 4.31Å; W127-M306 HydrophobicContact CZ2-CG 3.92Å; W127-M306 HydrophobicContact CZ3-CB 3.64Å; W127-M306 HydrophobicContact CZ3-CG 3.82Å; W127-M306 HydrophobicContact CZ3-SD 4.5Å; Q128-M306 PolarHBondContact N-O 3.36Å; V260-M306 HydrophobicContact CB-SD 3.76Å; V260-M306 HydrophobicContact CG1-SD 4.09Å; V260-M306 HydrophobicContact CG2-CE 4.44Å; V260-M306 HydrophobicContact CG2-SD 4.04Å; I265-M306 HydrophobicContact CD1-CB 3.75Å; I265-M306 HydrophobicContact CD1-CG 4.45Å; I265-M306 HydrophobicContact CD1-SD 4.04Å; I265-M306 HydrophobicContact CG1-SD 4.01Å; V273-M306 HydrophobicContact CG1-CE 3.91Å; V273-M306 HydrophobicContact CG1-SD 3.97Å; V273-M306 HydrophobicContact CG2-SD 4.42Å; Q274-M306 HydrophobicContact CB-CE 4.12Å; M304-M306 HydrophobicContact CG-CE 4.37Å; M304-M306 HydrophobicContact SD-CE 3.62Å
307	V	91	Very high	87.7	Confident	0 Å²	0	25 Å²	25	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	123.5	-170.7	-177.7	0	0	0	0	110.6	V260 D262 I305 Q311 S312 L315 W331 F351	V260-V307 WeakPolarHBondContact O-CB 3.33Å; V260-V307 PolarHBondContact O-N 3.49Å; D262-V307 WeakPolarHBondContact CB-O 3.35Å; D262-V307 PolarHBondContact N-O 3.02Å; D262-V307 VanDerWaalsContact N-O 3.13Å; I305-V307 HydrophobicContact CG2-CG2 4.08Å; V307-Q311 HydrophobicContact CG1-CB 3.79Å; V307-Q311 HydrophobicContact CG1-CG 3.63Å; V307-S312 PolarHBondContact O-OG 2.63Å; V307-L315 HydrophobicContact CG1-CD1 4.4Å; V307-W331 HydrophobicContact CG2-CH2 4.21Å; V307-W331 HydrophobicContact CG2-CZ2 4.18Å; V307-F351 HydrophobicContact CG2-CE2 4.4Å
308	G	86.6	Confident	87.4	Confident	7 Å²	7	33.8 Å²	33.8	7%	0.072	15%	0.152	C	C	.	.			trans	-79	151	-179.5	0	0	0	0	0	114.9	Q128 R310 Q311 S312	Q128-G308 VanDerWaalsContact O-CA 3.28Å; Q128-G308 WeakPolarHBondContact O-CA 2.98Å; Q128-G308 PolarHBondContact O-N 2.02Å; G308-R310 VanDerWaalsContact C-N 3.33Å; G308-R310 PolarHBondContact O-N 2.97Å; G308-Q311 WeakPolarHBondContact O-CB 3.49Å; G308-Q311 PolarHBondContact O-N 3.45Å; G308-S312 PolarHBondContact O-N 2.94Å; G308-S312 VanDerWaalsContact O-N 3.07Å
309	Y	84.9	Confident	87.2	Confident	129 Å²	129	36.2 Å²	36.2	51%	0.506	18%	0.178	S	C	.	.	H	α-helix	trans	-34.9	-48.2	-171.3	-177.6	-127	0	0	0	118	D262 S312 V313	D262-Y309 WeakPolarHBondContact OD2-CA 3.33Å; D262-Y309 VanDerWaalsContact OD2-CB 3.26Å; D262-Y309 WeakPolarHBondContact OD2-CB 3.42Å; D262-Y309 WeakPolarHBondContact OD2-CD2 3.46Å; Y309-S312 WeakPolarHBondContact O-CB 3.47Å; Y309-V313 HydrophobicContact CD2-CG2 3.87Å; Y309-V313 HydrophobicContact CE2-CG2 3.5Å; Y309-V313 WeakPolarHBondContact O-CG2 3.49Å; Y309-V313 PolarHBondContact O-N 2.9Å
310	R	83.1	Confident	87	Confident	159 Å²	159	38.6 Å²	38.6	60%	0.6	19%	0.191	S	C	*	.	H	α-helix	trans	-71	-33.5	-175.3	-62.5	178.4	74.2	-168.4	0.5	112.6	D130 G308 S314	D130-R310 WeakPolarHBondContact OD1-CD 3.42Å; D130-R310 IonicContact OD1-CZ 3.27Å; D130-R310 IonicContact OD1-NE 3.28Å; D130-R310 IonicContact OD1-NH1 2.76Å; D130-R310 PolarHBondContact OD1-NH1 2.85Å; G308-R310 VanDerWaalsContact C-N 3.33Å; G308-R310 PolarHBondContact O-N 2.97Å; R310-S314 PolarHBondContact O-N 2.8Å
311	Q	85.3	Confident	86.9	Confident	5 Å²	5	39.6 Å²	39.6	2%	0.023	20%	0.198	C	C	.	.	H	α-helix	trans	-76.4	-45.7	176	-175.9	173.7	-29.6	0	0	109.4	F131 V307 G308 V313 S314 L315	F131-Q311 HydrophobicContact CD1-CB 4.07Å; F131-Q311 HydrophobicContact CD1-CG 3.88Å; F131-Q311 HydrophobicContact CE1-CB 3.76Å; F131-Q311 HydrophobicContact CE1-CG 3.69Å; F131-Q311 HydrophobicContact CZ-CB 4.21Å; V307-Q311 HydrophobicContact CG1-CB 3.79Å; V307-Q311 HydrophobicContact CG1-CG 3.63Å; G308-Q311 WeakPolarHBondContact O-CB 3.49Å; G308-Q311 PolarHBondContact O-N 3.45Å; Q311-V313 PolarHBondContact O-N 3.28Å; Q311-S314 WeakPolarHBondContact CA-OG 3.2Å; Q311-S314 CarbonylContact O-C 3.53Å; Q311-S314 WeakPolarHBondContact O-CA 3Å; Q311-S314 WeakPolarHBondContact O-CB 3.26Å; Q311-S314 PolarHBondContact O-N 2.87Å; Q311-S314 PolarHBondContact O-OG 3.41Å; Q311-L315 HydrophobicContact CG-CD1 4.17Å; Q311-L315 WeakPolarHBondContact O-CG 3.48Å; Q311-L315 PolarHBondContact O-N 2.75Å; Q311-L315 VanDerWaalsContact O-N 3.16Å
312	S	85.9	Confident	86.9	Confident	1 Å²	1	42.9 Å²	42.9	1%	0.007	22%	0.22	C	C	.	.	H	α-helix	trans	-46.6	-53.9	169.4	-79.2	0	0	0	0	114.3	D261 D262 V307 G308 Y309 S314 L315 I316	D261-S312 WeakPolarHBondContact OD1-CA 3.44Å; D261-S312 WeakPolarHBondContact OD1-CB 3.32Å; D261-S312 PolarHBondContact OD1-OG 2.99Å; D262-S312 WeakPolarHBondContact CB-OG 3.29Å; D262-S312 PolarHBondContact N-OG 3.37Å; V307-S312 PolarHBondContact O-OG 2.63Å; G308-S312 PolarHBondContact O-N 2.94Å; G308-S312 VanDerWaalsContact O-N 3.07Å; Y309-S312 WeakPolarHBondContact O-CB 3.47Å; S312-S314 PolarHBondContact O-N 2.81Å; S312-L315 PolarHBondContact O-N 3.27Å; S312-I316 PolarHBondContact O-N 2.89Å
313	V	84.5	Confident	87	Confident	76 Å²	76	48.6 Å²	48.6	46%	0.461	24%	0.242	S	C	.	.	H	α-helix	trans	-70.1	-12.9	179.4	174.4	0	0	0	0	112.8	Y309 Q311	Y309-V313 HydrophobicContact CD2-CG2 3.87Å; Y309-V313 HydrophobicContact CE2-CG2 3.5Å; Y309-V313 WeakPolarHBondContact O-CG2 3.49Å; Y309-V313 PolarHBondContact O-N 2.9Å; Q311-V313 PolarHBondContact O-N 3.28Å
314	S	86.8	Confident	87.2	Confident	58 Å²	58	48 Å²	48	41%	0.406	24%	0.24	S	C	.	.	H	α-helix	trans	-93.2	-10.8	174.1	75.3	0	0	0	0	114.6	R310 Q311 S312	R310-S314 PolarHBondContact O-N 2.8Å; Q311-S314 WeakPolarHBondContact CA-OG 3.2Å; Q311-S314 CarbonylContact O-C 3.53Å; Q311-S314 WeakPolarHBondContact O-CA 3Å; Q311-S314 WeakPolarHBondContact O-CB 3.26Å; Q311-S314 PolarHBondContact O-N 2.87Å; Q311-S314 PolarHBondContact O-OG 3.41Å; S312-S314 PolarHBondContact O-N 2.81Å
315	L	88.7	Confident	87.3	Confident	11 Å²	11	48.6 Å²	48.6	6%	0.058	24%	0.243	C	C	.	.	H	α-helix	trans	-104.4	-16.9	-178.8	-67.3	174	0	0	0	113.7	V307 Q311 S312 Q327 V328 W331 F351	V307-L315 HydrophobicContact CG1-CD1 4.4Å; Q311-L315 HydrophobicContact CG-CD1 4.17Å; Q311-L315 WeakPolarHBondContact O-CG 3.48Å; Q311-L315 PolarHBondContact O-N 2.75Å; Q311-L315 VanDerWaalsContact O-N 3.16Å; S312-L315 PolarHBondContact O-N 3.27Å; L315-Q327 HydrophobicContact CD2-CB 4.37Å; L315-Q327 PolarHBondContact O-OE1 2.9Å; L315-V328 HydrophobicContact CB-CG2 4.37Å; L315-W331 HydrophobicContact CD1-CD2 4.16Å; L315-W331 HydrophobicContact CD1-CG 4.11Å; L315-W331 HydrophobicContact CD2-CB 3.62Å; L315-W331 HydrophobicContact CD2-CG 3.98Å; L315-F351 HydrophobicContact CB-CZ 4.42Å; L315-F351 HydrophobicContact CD1-CE2 3.81Å; L315-F351 HydrophobicContact CD1-CZ 4.1Å
316	I	90.9	Very high	87.3	Confident	9 Å²	9	53 Å²	53	5%	0.046	26%	0.263	C	S	.	.			trans	-120.4	117.9	-178.5	-56.9	-61.7	0	0	0	110.7	S312 V328 F351 T353 Q355 F357 L380	S312-I316 PolarHBondContact O-N 2.89Å; I316-V328 HydrophobicContact CD1-CG2 4.36Å; I316-F351 HydrophobicContact CD1-CD1 4.29Å; I316-F351 HydrophobicContact CD1-CE1 3.87Å; I316-F351 HydrophobicContact CG1-CE1 4.18Å; I316-T353 HydrophobicContact CD1-CG2 4.06Å; I316-T353 HydrophobicContact CG1-CG2 4.43Å; I316-Q355 HydrophobicContact CG2-CB 3.93Å; I316-F357 HydrophobicContact CG2-CB 3.98Å; I316-L380 HydrophobicContact CD1-CD1 3.61Å; I316-L380 HydrophobicContact CD1-CD2 4.16Å
317	E	86.1	Confident	87.3	Confident	52 Å²	52	54.8 Å²	54.8	24%	0.243	27%	0.272	C	S	.	.			trans	-105.4	110.8	177.7	-172.4	168.8	127.1	0	0	110.5	G319 N320 R323 S324	E317-G319 PolarHBondContact O-N 2.66Å; E317-N320 HydrophobicContact CB-CB 4.22Å; E317-N320 HydrophobicContact CG-CB 3.96Å; E317-N320 PolarHBondContact O-N 3.03Å; E317-N320 PolarHBondContact OE1-ND2 2.66Å; E317-R323 WeakPolarHBondContact OE1-CD 3.33Å; E317-R323 IonicContact OE1-CZ 2.72Å; E317-R323 IonicContact OE1-NE 3.86Å; E317-R323 IonicContact OE1-NH1 2.77Å; E317-R323 PolarHBondContact OE1-NH1 3.48Å; E317-R323 VanDerWaalsContact OE2-CD 3.32Å; E317-R323 WeakPolarHBondContact OE2-CD 3.44Å; E317-R323 IonicContact OE2-CZ 3.16Å; E317-R323 IonicContact OE2-NE 3.92Å; E317-R323 PolarHBondContact OE2-NE 3.38Å; E317-R323 VanDerWaalsContact OE2-NE 3.15Å; E317-R323 IonicContact OE2-NH1 3.94Å; E317-R323 PolarHBondContact OE2-NH1 2.89Å; E317-R323 IonicContact OE2-NH2 2.78Å; E317-S324 PolarHBondContact N-OG 3.31Å; E317-S324 PolarHBondContact O-OG 2.04Å; E317-S324 VanDerWaalsContact O-OG 3.14Å
318	R	82.6	Confident	87.5	Confident	184 Å²	184	54.9 Å²	54.9	69%	0.694	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	127.1	-170.8	-67.9	-173.1	-179.3	-161.5	-3.6	112.9	N320 D356	R318-N320 PolarHBondContact O-N 2.77Å; R318-D356 VanDerWaalsContact CA-O 3.28Å; R318-D356 WeakPolarHBondContact CA-O 3.49Å
319	G	80.1	Confident	87.8	Confident	55 Å²	55	55 Å²	55	57%	0.567	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.1	8.6	-177.2	0	0	0	0	0	115.4	E317 D356 F357	E317-G319 PolarHBondContact O-N 2.66Å; G319-D356 PolarHBondContact N-O 3.49Å; G319-F357 CarbonylContact C-O 3.56Å; G319-F357 VanDerWaalsContact C-O 3.31Å; G319-F357 WeakPolarHBondContact CA-O 3.23Å; G319-F357 PolarHBondContact N-O 2.92Å
320	N	85.6	Confident	88.1	Confident	52 Å²	52	54.9 Å²	54.9	28%	0.278	27%	0.27	S	S	.	.			trans	-123.2	82.9	175.8	-167.3	-11.6	0	0	0	110.8	E317 R318 S322 R323 S324 F357	E317-N320 HydrophobicContact CB-CB 4.22Å; E317-N320 HydrophobicContact CG-CB 3.96Å; E317-N320 PolarHBondContact O-N 3.03Å; E317-N320 PolarHBondContact OE1-ND2 2.66Å; R318-N320 PolarHBondContact O-N 2.77Å; N320-S322 PolarHBondContact O-N 2.82Å; N320-R323 HydrophobicContact CB-CB 4.31Å; N320-R323 VanDerWaalsContact CG-CB 3.4Å; N320-R323 VanDerWaalsContact ND2-CB 3.28Å; N320-R323 WeakPolarHBondContact ND2-CB 3.32Å; N320-R323 PolarHBondContact O-N 3.19Å; N320-R323 WeakPolarHBondContact OD1-CB 3.4Å; N320-R323 PolarHBondContact OD1-N 3.18Å; N320-S324 WeakPolarHBondContact O-CB 3.42Å; N320-S324 PolarHBondContact O-N 3.24Å; N320-S324 PolarHBondContact O-OG 2.76Å; N320-F357 CarbonylContact C-O 3.57Å; N320-F357 VanDerWaalsContact C-O 3.3Å; N320-F357 PolarHBondContact N-O 2.76Å
321	P	87.2	Confident	88.5	Confident	21 Å²	21	48.6 Å²	48.6	14%	0.136	25%	0.247	C	C	.	.	H	α-helix	trans	-67.5	-38.1	-172.4	26.3	-34	0	0	0	111.6	S324 L325 F357 M362 Y365	P321-S324 PolarHBondContact O-N 3.38Å; P321-L325 WeakPolarHBondContact O-CB 3.23Å; P321-L325 PolarHBondContact O-N 2.75Å; P321-F357 WeakPolarHBondContact CA-O 3.37Å; P321-F357 HydrophobicContact CB-CD2 3.97Å; P321-F357 VanDerWaalsContact CD-O 3.29Å; P321-F357 WeakPolarHBondContact CD-O 3.29Å; P321-M362 HydrophobicContact CB-SD 3.65Å; P321-M362 HydrophobicContact CG-CE 4.39Å; P321-M362 HydrophobicContact CG-SD 3.83Å; P321-Y365 HydrophobicContact CB-CD1 4.23Å; P321-Y365 HydrophobicContact CB-CD2 4.34Å; P321-Y365 HydrophobicContact CB-CG 4.05Å
322	S	87.9	Confident	88.8	Confident	68 Å²	68	48.6 Å²	48.6	48%	0.476	25%	0.247	S	C	.	.	H	α-helix	trans	-63.6	-44.6	179.2	179.2	0	0	0	0	112.5	N320 E326	N320-S322 PolarHBondContact O-N 2.82Å; S322-E326 WeakPolarHBondContact O-CB 2.95Å; S322-E326 PolarHBondContact O-N 3.23Å
323	R	88.4	Confident	89.1	Confident	121 Å²	121	51.6 Å²	51.6	46%	0.457	26%	0.263	S	S	.	.	H	α-helix	trans	-73.7	-33.6	178.8	-169.9	161.5	171.7	-144.2	-1.2	112.9	E317 N320 E326 Q327	E317-R323 WeakPolarHBondContact OE1-CD 3.33Å; E317-R323 IonicContact OE1-CZ 2.72Å; E317-R323 IonicContact OE1-NE 3.86Å; E317-R323 IonicContact OE1-NH1 2.77Å; E317-R323 PolarHBondContact OE1-NH1 3.48Å; E317-R323 VanDerWaalsContact OE2-CD 3.32Å; E317-R323 WeakPolarHBondContact OE2-CD 3.44Å; E317-R323 IonicContact OE2-CZ 3.16Å; E317-R323 IonicContact OE2-NE 3.92Å; E317-R323 PolarHBondContact OE2-NE 3.38Å; E317-R323 VanDerWaalsContact OE2-NE 3.15Å; E317-R323 IonicContact OE2-NH1 3.94Å; E317-R323 PolarHBondContact OE2-NH1 2.89Å; E317-R323 IonicContact OE2-NH2 2.78Å; N320-R323 HydrophobicContact CB-CB 4.31Å; N320-R323 VanDerWaalsContact CG-CB 3.4Å; N320-R323 VanDerWaalsContact ND2-CB 3.28Å; N320-R323 WeakPolarHBondContact ND2-CB 3.32Å; N320-R323 PolarHBondContact O-N 3.19Å; N320-R323 WeakPolarHBondContact OD1-CB 3.4Å; N320-R323 PolarHBondContact OD1-N 3.18Å; R323-E326 PolarHBondContact O-N 3.03Å; R323-Q327 WeakPolarHBondContact O-CB 3.14Å; R323-Q327 VanDerWaalsContact O-CG 3.26Å; R323-Q327 WeakPolarHBondContact O-CG 3.01Å; R323-Q327 PolarHBondContact O-N 2.68Å
324	S	92.9	Very high	89.3	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-62.2	-48.5	172.4	-56.6	0	0	0	0	111.1	E317 N320 P321 E326 Q327 V328 L380	E317-S324 PolarHBondContact N-OG 3.31Å; E317-S324 PolarHBondContact O-OG 2.04Å; E317-S324 VanDerWaalsContact O-OG 3.14Å; N320-S324 WeakPolarHBondContact O-CB 3.42Å; N320-S324 PolarHBondContact O-N 3.24Å; N320-S324 PolarHBondContact O-OG 2.76Å; P321-S324 PolarHBondContact O-N 3.38Å; S324-E326 PolarHBondContact O-N 2.94Å; S324-Q327 WeakPolarHBondContact O-CB 3.29Å; S324-Q327 PolarHBondContact O-N 3.08Å; S324-V328 WeakPolarHBondContact O-CG2 3.44Å; S324-V328 PolarHBondContact O-N 2.92Å; S324-L380 VanDerWaalsContact CB-CD2 3.45Å
325	L	92.6	Very high	89.4	Confident	12 Å²	12	51.3 Å²	51.3	6%	0.063	26%	0.257	C	S	.	.	H	α-helix	trans	-60	-45.1	174.1	177.1	66.8	0	0	0	111.3	P321 Q327 V328 C329 Y365 L380	P321-L325 WeakPolarHBondContact O-CB 3.23Å; P321-L325 PolarHBondContact O-N 2.75Å; L325-Q327 VanDerWaalsContact C-N 3.27Å; L325-Q327 PolarHBondContact O-N 2.83Å; L325-V328 PolarHBondContact O-N 2.93Å; L325-C329 VanDerWaalsContact CD1-SG 3.54Å; L325-C329 WeakPolarHBondContact O-CB 3.31Å; L325-C329 PolarHBondContact O-N 3.31Å; L325-C329 PolarHBondContact O-SG 2.74Å; L325-Y365 HydrophobicContact CB-CD1 3.87Å; L325-Y365 HydrophobicContact CB-CE1 4.47Å; L325-Y365 HydrophobicContact CD2-CD1 3.47Å; L325-Y365 VanDerWaalsContact CD2-CD1 3.47Å; L325-Y365 HydrophobicContact CD2-CE1 3.79Å; L325-Y365 HydrophobicContact CD2-CG 4.49Å; L325-Y365 HydrophobicContact CG-CD1 4.29Å; L325-L380 HydrophobicContact CB-CB 4.48Å; L325-L380 HydrophobicContact CD1-CB 4.05Å
326	E	91.1	Very high	89.3	Confident	91 Å²	91	52.9 Å²	52.9	43%	0.425	26%	0.264	S	S	.	.	H	α-helix	trans	-60.6	-35.1	178.3	-158.8	-161.3	-152.4	0	0	112.8	S322 R323 S324 R330	S322-E326 WeakPolarHBondContact O-CB 2.95Å; S322-E326 PolarHBondContact O-N 3.23Å; R323-E326 PolarHBondContact O-N 3.03Å; S324-E326 PolarHBondContact O-N 2.94Å; E326-R330 WeakPolarHBondContact O-CB 3.22Å; E326-R330 VanDerWaalsContact O-CG 3.32Å; E326-R330 WeakPolarHBondContact O-CG 3.41Å; E326-R330 PolarHBondContact O-N 2.94Å; E326-R330 IonicContact OE1-CZ 3.14Å; E326-R330 IonicContact OE1-NH1 2.7Å; E326-R330 PolarHBondContact OE1-NH1 2.89Å; E326-R330 IonicContact OE1-NH2 2.74Å; E326-R330 PolarHBondContact OE1-NH2 3.25Å; E326-R330 IonicContact OE2-CZ 2.61Å; E326-R330 IonicContact OE2-NH1 2.74Å; E326-R330 PolarHBondContact OE2-NH1 3.01Å; E326-R330 IonicContact OE2-NH2 3.96Å; E326-R330 PolarHBondContact OE2-NH2 3.17Å
327	Q	92	Very high	89	Confident	40 Å²	40	57 Å²	57	19%	0.187	28%	0.279	C	S	.	.	H	α-helix	trans	-68.1	-49.2	173.1	-73.8	162.6	-5.6	0	0	111.4	L315 R323 S324 L325 R330 W331	L315-Q327 HydrophobicContact CD2-CB 4.37Å; L315-Q327 PolarHBondContact O-OE1 2.9Å; R323-Q327 WeakPolarHBondContact O-CB 3.14Å; R323-Q327 VanDerWaalsContact O-CG 3.26Å; R323-Q327 WeakPolarHBondContact O-CG 3.01Å; R323-Q327 PolarHBondContact O-N 2.68Å; S324-Q327 WeakPolarHBondContact O-CB 3.29Å; S324-Q327 PolarHBondContact O-N 3.08Å; L325-Q327 VanDerWaalsContact C-N 3.27Å; L325-Q327 PolarHBondContact O-N 2.83Å; Q327-R330 PolarHBondContact O-N 3.39Å; Q327-W331 WeakPolarHBondContact O-CB 3.49Å; Q327-W331 PolarHBondContact O-N 3.05Å
328	V	93.4	Very high	88.2	Confident	2 Å²	2	66.7 Å²	66.7	1%	0.012	31%	0.314	C	S	.	.	H	α-helix	trans	-58.9	-48.9	177.1	166	0	0	0	0	111.9	L315 I316 S324 L325 R330 W331 A332 F351	L315-V328 HydrophobicContact CB-CG2 4.37Å; I316-V328 HydrophobicContact CD1-CG2 4.36Å; S324-V328 WeakPolarHBondContact O-CG2 3.44Å; S324-V328 PolarHBondContact O-N 2.92Å; L325-V328 PolarHBondContact O-N 2.93Å; V328-R330 PolarHBondContact O-N 2.6Å; V328-W331 PolarHBondContact O-N 3.43Å; V328-A332 PolarHBondContact O-N 3.14Å; V328-F351 HydrophobicContact CG1-CB 3.54Å; V328-F351 HydrophobicContact CG1-CD2 3.9Å; V328-F351 HydrophobicContact CG1-CG 3.85Å; V328-F351 HydrophobicContact CG2-CB 4.33Å; V328-F351 HydrophobicContact CG2-CD1 4.09Å; V328-F351 HydrophobicContact CG2-CD2 3.92Å; V328-F351 HydrophobicContact CG2-CE1 4.37Å; V328-F351 HydrophobicContact CG2-CE2 4.24Å; V328-F351 HydrophobicContact CG2-CG 3.85Å; V328-F351 HydrophobicContact CG2-CZ 4.46Å
329	C	93	Very high	87.7	Confident	9 Å²	9	62.2 Å²	62.2	6%	0.061	30%	0.303	C	S	.	.	H	α-helix	trans	-61	-42.7	178.5	-63.9	0	0	0	0	112.3	L325 W331 N333 C378	L325-C329 VanDerWaalsContact CD1-SG 3.54Å; L325-C329 WeakPolarHBondContact O-CB 3.31Å; L325-C329 PolarHBondContact O-N 3.31Å; L325-C329 PolarHBondContact O-SG 2.74Å; C329-W331 VanDerWaalsContact C-N 3.35Å; C329-N333 PolarHBondContact O-N 2.81Å; C329-N333 VanDerWaalsContact O-N 3.16Å; C329-C378 HydrophobicContact CB-CB 3.9Å; C329-C378 WeakPolarHBondContact CB-SG 3.17Å; C329-C378 WeakPolarHBondContact SG-CB 3.06Å; C329-C378 CovalentContact SG-SG 2.02Å; C329-C378 PolarHBondContact SG-SG 3.18Å
330	R	91.8	Very high	86.9	Confident	127 Å²	127	63.4 Å²	63.4	48%	0.479	30%	0.301	S	S	.	.	H	α-helix	trans	-64.2	-40.2	174.8	-78.8	-176.6	-176.8	119.5	8.7	111.9	E326 Q327 V328 T334 L375	E326-R330 WeakPolarHBondContact O-CB 3.22Å; E326-R330 VanDerWaalsContact O-CG 3.32Å; E326-R330 WeakPolarHBondContact O-CG 3.41Å; E326-R330 PolarHBondContact O-N 2.94Å; E326-R330 IonicContact OE1-CZ 3.14Å; E326-R330 IonicContact OE1-NH1 2.7Å; E326-R330 PolarHBondContact OE1-NH1 2.89Å; E326-R330 IonicContact OE1-NH2 2.74Å; E326-R330 PolarHBondContact OE1-NH2 3.25Å; E326-R330 IonicContact OE2-CZ 2.61Å; E326-R330 IonicContact OE2-NH1 2.74Å; E326-R330 PolarHBondContact OE2-NH1 3.01Å; E326-R330 IonicContact OE2-NH2 3.96Å; E326-R330 PolarHBondContact OE2-NH2 3.17Å; Q327-R330 PolarHBondContact O-N 3.39Å; V328-R330 PolarHBondContact O-N 2.6Å; R330-T334 WeakPolarHBondContact O-CG2 3.16Å; R330-T334 PolarHBondContact O-N 3.25Å; R330-L375 HydrophobicContact CG-CD2 4.08Å
331	W	92.4	Very high	85.7	Confident	27 Å²	27	68.8 Å²	68.8	10%	0.102	33%	0.325	C	S	.	.	H	α-helix	trans	-66.8	-45.4	177.6	170	82.7	0	0	0	111.9	A259 I305 V307 L315 Q327 V328 C329 N333 T334 Q335 F351	A259-W331 HydrophobicContact CB-CH2 3.57Å; A259-W331 HydrophobicContact CB-CZ3 3.46Å; A259-W331 VanDerWaalsContact CB-CZ3 3.46Å; I305-W331 HydrophobicContact CB-CH2 4.3Å; I305-W331 HydrophobicContact CD1-CH2 4Å; I305-W331 HydrophobicContact CD1-CZ2 4.05Å; I305-W331 HydrophobicContact CG2-CH2 4.32Å; I305-W331 HydrophobicContact CG2-CZ2 4.15Å; V307-W331 HydrophobicContact CG2-CH2 4.21Å; V307-W331 HydrophobicContact CG2-CZ2 4.18Å; L315-W331 HydrophobicContact CD1-CD2 4.16Å; L315-W331 HydrophobicContact CD1-CG 4.11Å; L315-W331 HydrophobicContact CD2-CB 3.62Å; L315-W331 HydrophobicContact CD2-CG 3.98Å; Q327-W331 WeakPolarHBondContact O-CB 3.49Å; Q327-W331 PolarHBondContact O-N 3.05Å; V328-W331 PolarHBondContact O-N 3.43Å; C329-W331 VanDerWaalsContact C-N 3.35Å; W331-N333 VanDerWaalsContact C-N 3.29Å; W331-N333 PolarHBondContact O-N 2.02Å; W331-T334 WeakPolarHBondContact O-CA 3.5Å; W331-T334 WeakPolarHBondContact O-CB 3.43Å; W331-T334 PolarHBondContact O-N 3.23Å; W331-T334 PolarHBondContact O-OG1 3.26Å; W331-Q335 HydrophobicContact CD2-CG 4.44Å; W331-Q335 HydrophobicContact CH2-CG 4.29Å; W331-Q335 HydrophobicContact CZ2-CG 3.9Å; W331-Q335 PolarHBondContact O-N 2.78Å; W331-F351 HydrophobicContact CZ3-CD2 4.27Å; W331-F351 HydrophobicContact CZ3-CE2 4.46Å
332	A	91.1	Very high	85	Confident	4 Å²	4	71.5 Å²	71.5	3%	0.033	34%	0.335	C	S	.	.	H	α-helix	trans	-55.6	-44.1	175.8	0	0	0	0	0	111.8	V328 T334 Q335 Q336 A349	V328-A332 PolarHBondContact O-N 3.14Å; A332-T334 PolarHBondContact O-N 3.43Å; A332-Q335 WeakPolarHBondContact O-CA 3.36Å; A332-Q335 WeakPolarHBondContact O-CB 3.34Å; A332-Q335 PolarHBondContact O-N 2.91Å; A332-Q336 PolarHBondContact O-N 3.47Å; A332-A349 HydrophobicContact CB-CB 3.48Å; A332-A349 VanDerWaalsContact CB-CB 3.48Å
333	N	91.3	Very high	84	Confident	64 Å²	64	70.4 Å²	70.4	34%	0.342	33%	0.331	S	S	.	.	H	α-helix	trans	-58.1	-28.5	173.5	-170.9	42.7	0	0	0	113.8	C329 W331 Q335 P374 L375	C329-N333 PolarHBondContact O-N 2.81Å; C329-N333 VanDerWaalsContact O-N 3.16Å; W331-N333 VanDerWaalsContact C-N 3.29Å; W331-N333 PolarHBondContact O-N 2.02Å; N333-Q335 VanDerWaalsContact C-N 3.3Å; N333-P374 VanDerWaalsContact CB-O 3.31Å; N333-P374 WeakPolarHBondContact CB-O 3.4Å; N333-P374 VanDerWaalsContact OD1-CB 3.28Å; N333-P374 WeakPolarHBondContact OD1-CB 3.39Å; N333-P374 PolarHBondContact OD1-O 3.39Å; N333-L375 HydrophobicContact CB-CD2 3.8Å
334	T	89.8	Confident	83.5	Confident	97 Å²	97	66 Å²	66	60%	0.595	32%	0.315	S	S	*	.	H	α-helix	trans	-74.7	-19.8	173.3	69.7	0	0	0	0	113.6	R330 W331 A332	R330-T334 WeakPolarHBondContact O-CG2 3.16Å; R330-T334 PolarHBondContact O-N 3.25Å; W331-T334 WeakPolarHBondContact O-CA 3.5Å; W331-T334 WeakPolarHBondContact O-CB 3.43Å; W331-T334 PolarHBondContact O-N 3.23Å; W331-T334 PolarHBondContact O-OG1 3.26Å; A332-T334 PolarHBondContact O-N 3.43Å
335	Q	88.4	Confident	83.1	Confident	32 Å²	32	68 Å²	68	15%	0.15	32%	0.323	C	S	.	.	H	α-helix	trans	-88.1	-11.8	179.1	-59	-52.5	-54.3	0	0	113	L257 R303 I305 W331 A332 N333	L257-Q335 HydrophobicContact CD2-CB 3.75Å; L257-Q335 HydrophobicContact CD2-CG 4.37Å; R303-Q335 PolarHBondContact NH1-O 3.24Å; I305-Q335 HydrophobicContact CD1-CB 4.46Å; I305-Q335 HydrophobicContact CD1-CG 3.99Å; W331-Q335 HydrophobicContact CD2-CG 4.44Å; W331-Q335 HydrophobicContact CH2-CG 4.29Å; W331-Q335 HydrophobicContact CZ2-CG 3.9Å; W331-Q335 PolarHBondContact O-N 2.78Å; A332-Q335 WeakPolarHBondContact O-CA 3.36Å; A332-Q335 WeakPolarHBondContact O-CB 3.34Å; A332-Q335 PolarHBondContact O-N 2.91Å; N333-Q335 VanDerWaalsContact C-N 3.3Å
336	Q	87.1	Confident	83	Confident	43 Å²	43	68 Å²	68	20%	0.201	32%	0.323	C	S	.	.			trans	-68.5	142.2	-174.3	-177.6	58.4	-61.4	0	0	113.5	A332 Y345 H346	A332-Q336 PolarHBondContact O-N 3.47Å; Q336-Y345 HydrophobicContact CG-CE2 4.47Å; Q336-H346 PolarHBondContact NE2-O 3.27Å; Q336-H346 PolarHBondContact OE1-CE1 3.09Å; Q336-H346 PolarHBondContact OE1-ND1 3.2Å; Q336-H346 VanDerWaalsContact OE1-ND1 3.13Å
337	R	83.6	Confident	83	Confident	96 Å²	96	64.1 Å²	64.1	36%	0.362	30%	0.304	S	S	.	.			trans	-84.1	150.7	172.9	-64.6	-56.7	-175.8	-161.6	2.6	111.1	E344	R337-E344 HydrophobicContact CG-CB 3.86Å; R337-E344 WeakPolarHBondContact CG-O 3.31Å; R337-E344 IonicContact CZ-OE2 3.27Å; R337-E344 IonicContact NE-OE2 3.56Å; R337-E344 PolarHBondContact NE-OE2 2.86Å; R337-E344 IonicContact NH2-OE2 3.63Å; R337-E344 PolarHBondContact NH2-OE2 3.33Å
338	R	70.1	Confident	83.1	Confident	256 Å²	256	62.2 Å²	62.2	97%	0.966	30%	0.296	S	S	*	.	S	Bend	trans	-85.3	-9.4	-176.4	-67.9	-174.1	178.8	-178.2	0.3	114.4
339	D	71.1	Confident	83.3	Confident	89 Å²	89	62.3 Å²	62.3	48%	0.476	30%	0.297	S	S	.	.			trans	-121.1	115.3	-174.2	-176.1	0.3	0	0	0	107.4	E341 H342	D339-E341 VanDerWaalsContact C-N 3.31Å; D339-E341 PolarHBondContact O-N 3.49Å; D339-E341 PolarHBondContact OD1-N 2.72Å; D339-H342 HydrophobicContact CB-CB 4.21Å; D339-H342 WeakPolarHBondContact O-CB 3.41Å; D339-H342 PolarHBondContact O-N 2.77Å
340	P	64.1	Low	83.4	Confident	81 Å²	81	62 Å²	62	53%	0.526	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-27.1	-179.5	-23.7	35.2	0	0	0	114.1	H342 Y345	P340-H342 PolarHBondContact O-N 2.8Å; P340-Y345 HydrophobicContact CB-CE2 4.44Å; P340-Y345 HydrophobicContact CG-CE2 4.41Å
341	E	60.6	Low	83.7	Confident	164 Å²	164	56 Å²	56	77%	0.766	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	14	178	-58.7	-125.1	177.6	0	0	112.4	D339 K460	D339-E341 VanDerWaalsContact C-N 3.31Å; D339-E341 PolarHBondContact O-N 3.49Å; D339-E341 PolarHBondContact OD1-N 2.72Å; E341-K460 IonicContact OE2-NZ 3.56Å
342	H	72.7	Confident	83.8	Confident	79 Å²	79	54.8 Å²	54.8	37%	0.366	27%	0.267	S	S	.	.	S	Bend	trans	-93.4	127.8	178.5	-168	-67	0	0	0	110.9	D339 P340 E344 Y345	D339-H342 HydrophobicContact CB-CB 4.21Å; D339-H342 WeakPolarHBondContact O-CB 3.41Å; D339-H342 PolarHBondContact O-N 2.77Å; P340-H342 PolarHBondContact O-N 2.8Å; H342-E344 PolarHBondContact ND1-N 2.99Å; H342-E344 PolarHBondContact O-N 2.85Å; H342-Y345 VanDerWaalsContact O-CB 3.31Å; H342-Y345 WeakPolarHBondContact O-CB 3.41Å; H342-Y345 PolarHBondContact O-N 2.94Å
343	A	67.4	Low	83.9	Confident	45 Å²	45	54.6 Å²	54.6	37%	0.372	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	30	179.1	0	0	0	0	0	115.7
344	E	76.7	Confident	83.7	Confident	27 Å²	27	54.2 Å²	54.2	13%	0.126	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-140.3	11.2	166.4	-51.3	-172.7	169.4	0	0	111.7	F124 K136 R337 H342	F124-E344 VanDerWaalsContact CE1-CD 3.42Å; F124-E344 HydrophobicContact CE1-CG 3.72Å; F124-E344 WeakPolarHBondContact CE1-OE1 3.25Å; F124-E344 HydrophobicContact CZ-CG 4.14Å; F124-E344 VanDerWaalsContact CZ-OE1 3.27Å; F124-E344 WeakPolarHBondContact CZ-OE1 3.03Å; K136-E344 IonicContact NZ-OE1 3.4Å; K136-E344 PolarHBondContact NZ-OE1 2.98Å; R337-E344 HydrophobicContact CG-CB 3.86Å; R337-E344 WeakPolarHBondContact CG-O 3.31Å; R337-E344 IonicContact CZ-OE2 3.27Å; R337-E344 IonicContact NE-OE2 3.56Å; R337-E344 PolarHBondContact NE-OE2 2.86Å; R337-E344 IonicContact NH2-OE2 3.63Å; R337-E344 PolarHBondContact NH2-OE2 3.33Å; H342-E344 PolarHBondContact ND1-N 2.99Å; H342-E344 PolarHBondContact O-N 2.85Å
345	Y	84.4	Confident	83.6	Confident	44 Å²	44	50.8 Å²	50.8	17%	0.173	24%	0.237	C	C	.	.			trans	-63.7	167.2	164	-170.4	-101.2	0	0	0	109.5	V302 Q336 P340 H342	V302-Y345 VanDerWaalsContact CG2-O 3.25Å; V302-Y345 WeakPolarHBondContact CG2-O 3.07Å; Q336-Y345 HydrophobicContact CG-CE2 4.47Å; P340-Y345 HydrophobicContact CB-CE2 4.44Å; P340-Y345 HydrophobicContact CG-CE2 4.41Å; H342-Y345 VanDerWaalsContact O-CB 3.31Å; H342-Y345 WeakPolarHBondContact O-CB 3.41Å; H342-Y345 PolarHBondContact O-N 2.94Å
346	H	90.1	Very high	83.3	Confident	12 Å²	12	54.3 Å²	54.3	6%	0.056	26%	0.257	C	S	.	.			trans	-158	140.7	172.9	61.8	-79.4	0	0	0	111.5	L257 V302 Q336 H348	L257-H346 HydrophobicContact CB-CB 3.95Å; V302-H346 HydrophobicContact CG2-CB 3.92Å; Q336-H346 PolarHBondContact NE2-O 3.27Å; Q336-H346 PolarHBondContact OE1-CE1 3.09Å; Q336-H346 PolarHBondContact OE1-ND1 3.2Å; Q336-H346 VanDerWaalsContact OE1-ND1 3.13Å; H346-H348 PolarHBondContact CD2-O 2.04Å
347	D	91.8	Very high	83.3	Confident	8 Å²	8	52.4 Å²	52.4	4%	0.043	25%	0.248	C	C	.	.	S	Bend	trans	-80.4	-31.8	173.7	-54.1	-47.3	0	0	0	111.8	I254 E255 M371 S377 C451 L452	I254-D347 HydrophobicContact CG2-CB 4.33Å; E255-D347 WeakPolarHBondContact CB-OD2 3.31Å; E255-D347 PolarHBondContact N-OD2 2.85Å; E255-D347 PolarHBondContact O-N 3.45Å; D347-M371 HydrophobicContact CB-SD 4.38Å; D347-S377 WeakPolarHBondContact O-CB 3.28Å; D347-S377 PolarHBondContact O-OG 3.23Å; D347-C451 VanDerWaalsContact CG-SG 3.59Å; D347-C451 VanDerWaalsContact OD1-CB 3.26Å; D347-C451 WeakPolarHBondContact OD1-CB 3.36Å; D347-C451 PolarHBondContact OD1-SG 2.88Å; D347-L452 HydrophobicContact CB-CD2 3.96Å
348	H	95.3	Very high	83.2	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	146.9	-167.9	-165	59.4	0	0	0	113.3	I254 E255 V256 L257 H346 M371 S377 C378	I254-H348 HydrophobicContact CG2-CB 3.6Å; E255-H348 PolarHBondContact O-N 2.84Å; V256-H348 WeakPolarHBondContact CA-O 3.3Å; V256-H348 HydrophobicContact CG2-CB 4.49Å; L257-H348 PolarHBondContact N-O 3.29Å; H346-H348 PolarHBondContact CD2-O 2.04Å; H348-M371 HydrophobicContact CB-CE 4.23Å; H348-M371 HydrophobicContact CB-SD 3.86Å; H348-S377 WeakPolarHBondContact CA-OG 3.4Å; H348-S377 VanDerWaalsContact ND1-C 3.29Å; H348-S377 PolarHBondContact ND1-O 2.88Å; H348-S377 PolarHBondContact ND1-OG 2.99Å; H348-C378 PolarHBondContact CE1-N 2.81Å
349	A	95.6	Very high	83.5	Confident	5 Å²	5	40.6 Å²	40.6	4%	0.041	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	120.1	179.2	0	0	0	0	0	112.4	L257 A332 S377 C378 T379	L257-A349 HydrophobicContact CB-CB 4.46Å; L257-A349 CarbonylContact O-C 3.54Å; L257-A349 VanDerWaalsContact O-CA 3.32Å; L257-A349 WeakPolarHBondContact O-CA 3.37Å; A332-A349 HydrophobicContact CB-CB 3.48Å; A332-A349 VanDerWaalsContact CB-CB 3.48Å; A349-S377 PolarHBondContact N-O 2.87Å; A349-C378 CarbonylContact O-C 3.57Å; A349-C378 VanDerWaalsContact O-CA 3.24Å; A349-C378 WeakPolarHBondContact O-CA 3.49Å; A349-T379 PolarHBondContact O-N 2.83Å
350	I	97	Very high	83.2	Confident	3 Å²	3	41.9 Å²	41.9	2%	0.015	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	123.8	-178.6	-58.6	178.2	0	0	0	108.7	V256 L257 L258 A259 M281 L352 V392	V256-I350 HydrophobicContact CG1-CB 4.4Å; V256-I350 HydrophobicContact CG1-CD1 3.68Å; V256-I350 HydrophobicContact CG1-CG1 3.94Å; V256-I350 HydrophobicContact CG2-CD1 4.22Å; L257-I350 PolarHBondContact O-N 3.46Å; L258-I350 HydrophobicContact CD1-CB 3.8Å; L258-I350 HydrophobicContact CD1-CG2 3.76Å; A259-I350 PolarHBondContact N-O 3.46Å; M281-I350 HydrophobicContact CE-CD1 3.66Å; M281-I350 HydrophobicContact SD-CD1 4.3Å; I350-L352 HydrophobicContact CG2-CD2 4.04Å; I350-V392 HydrophobicContact CD1-CG1 3.78Å; I350-V392 HydrophobicContact CG2-CG1 3.92Å; I350-V392 HydrophobicContact CG2-CG2 4.34Å
351	F	96.5	Very high	83.2	Confident	1 Å²	1	41 Å²	41	0%	0.004	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	127.6	176.8	-162.1	-82.9	0	0	0	110.8	A259 D261 V307 L315 I316 V328 W331 T379 L380 N381	A259-F351 HydrophobicContact CB-CD2 3.51Å; A259-F351 HydrophobicContact CB-CE2 4.03Å; A259-F351 HydrophobicContact CB-CG 4.29Å; A259-F351 WeakPolarHBondContact O-CA 3.49Å; D261-F351 HydrophobicContact CB-CE1 3.92Å; D261-F351 HydrophobicContact CB-CZ 4.18Å; V307-F351 HydrophobicContact CG2-CE2 4.4Å; L315-F351 HydrophobicContact CB-CZ 4.42Å; L315-F351 HydrophobicContact CD1-CE2 3.81Å; L315-F351 HydrophobicContact CD1-CZ 4.1Å; I316-F351 HydrophobicContact CD1-CD1 4.29Å; I316-F351 HydrophobicContact CD1-CE1 3.87Å; I316-F351 HydrophobicContact CG1-CE1 4.18Å; V328-F351 HydrophobicContact CG1-CB 3.54Å; V328-F351 HydrophobicContact CG1-CD2 3.9Å; V328-F351 HydrophobicContact CG1-CG 3.85Å; V328-F351 HydrophobicContact CG2-CB 4.33Å; V328-F351 HydrophobicContact CG2-CD1 4.09Å; V328-F351 HydrophobicContact CG2-CD2 3.92Å; V328-F351 HydrophobicContact CG2-CE1 4.37Å; V328-F351 HydrophobicContact CG2-CE2 4.24Å; V328-F351 HydrophobicContact CG2-CG 3.85Å; V328-F351 HydrophobicContact CG2-CZ 4.46Å; W331-F351 HydrophobicContact CZ3-CD2 4.27Å; W331-F351 HydrophobicContact CZ3-CE2 4.46Å; F351-T379 PolarHBondContact N-O 3.2Å; F351-L380 HydrophobicContact CB-CD1 4.48Å; F351-L380 HydrophobicContact CD1-CD1 3.78Å; F351-N381 PolarHBondContact O-N 3.44Å; F351-N381 PolarHBondContact O-ND2 3.02Å
352	L	95.1	Very high	83.8	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	126	-179.6	-55.1	-178.4	0	0	0	110.6	L258 A259 D261 V264 V277 L280 I350 N381 V392	L258-L352 HydrophobicContact CD1-CD1 4.11Å; L258-L352 HydrophobicContact CD1-CG 4.14Å; A259-L352 PolarHBondContact O-N 3.03Å; D261-L352 WeakPolarHBondContact CB-O 3.36Å; D261-L352 PolarHBondContact N-O 3.24Å; V264-L352 HydrophobicContact CG2-CB 4.47Å; V277-L352 HydrophobicContact CG1-CD1 4.21Å; V277-L352 HydrophobicContact CG2-CD1 4.19Å; L280-L352 HydrophobicContact CD2-CD1 3.78Å; L280-L352 HydrophobicContact CD2-CD2 4.26Å; I350-L352 HydrophobicContact CG2-CD2 4.04Å; L352-N381 HydrophobicContact CD2-CB 4.04Å; L352-V392 HydrophobicContact CD2-CG2 3.9Å
353	T	92.9	Very high	84.3	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	146.4	177	-175.4	0	0	0	0	113.3	D261 S263 I316 Q355 F357 L380 N381 H382 E383	D261-T353 PolarHBondContact OD2-OG1 3.42Å; S263-T353 PolarHBondContact OG-OG1 3.47Å; I316-T353 HydrophobicContact CD1-CG2 4.06Å; I316-T353 HydrophobicContact CG1-CG2 4.43Å; T353-Q355 VanDerWaalsContact C-N 3.34Å; T353-Q355 WeakPolarHBondContact OG1-CB 3.45Å; T353-Q355 WeakPolarHBondContact OG1-CG 3.47Å; T353-Q355 PolarHBondContact OG1-N 2.77Å; T353-F357 HydrophobicContact CG2-CD1 3.73Å; T353-F357 HydrophobicContact CG2-CE1 3.9Å; T353-L380 HydrophobicContact CG2-CD1 3.86Å; T353-N381 PolarHBondContact N-O 3.21Å; T353-H382 CarbonylContact O-C 3.45Å; T353-H382 VanDerWaalsContact O-CA 3.27Å; T353-H382 WeakPolarHBondContact O-CA 3.21Å; T353-E383 PolarHBondContact O-N 3.3Å
354	R	87.7	Confident	85.3	Confident	57 Å²	57	33.3 Å²	33.3	22%	0.215	21%	0.208	C	C	.	.			trans	-91.5	9.8	166.5	-57.1	-156.8	68.6	98.8	5	113.2	S263 V264 E383 D384	S263-R354 PolarHBondContact OG-N 3.02Å; V264-R354 HydrophobicContact CG2-CG 3.95Å; R354-E383 WeakPolarHBondContact CD-OE2 3.4Å; R354-E383 HydrophobicContact CG-CB 4.16Å; R354-E383 VanDerWaalsContact CG-OE2 3.23Å; R354-E383 WeakPolarHBondContact CG-OE2 3.47Å; R354-E383 IonicContact CZ-OE2 3.58Å; R354-E383 IonicContact NE-OE2 2.71Å; R354-E383 VanDerWaalsContact NH1-CD 3.26Å; R354-E383 PolarHBondContact NH1-O 3.3Å; R354-E383 VanDerWaalsContact NH1-O 3.08Å; R354-E383 IonicContact NH1-OE1 3.61Å; R354-E383 PolarHBondContact NH1-OE1 3.14Å; R354-E383 IonicContact NH1-OE2 3.6Å; R354-E383 PolarHBondContact NH1-OE2 2.85Å; R354-E383 PolarHBondContact NH2-O 3.12Å; R354-D384 IonicContact CZ-OD1 2.86Å; R354-D384 IonicContact NH1-OD1 3.77Å; R354-D384 IonicContact NH2-OD1 3.79Å; R354-D384 PolarHBondContact NH2-OD1 3.32Å
355	Q	87.7	Confident	86	Confident	24 Å²	24	35.9 Å²	35.9	11%	0.112	22%	0.217	C	C	.	.	S	Bend	trans	-88	145.7	-179.3	-62.3	-171.3	77.2	0	0	112.2	D261 I316 T353 F357 H382	D261-Q355 PolarHBondContact OD2-NE2 2.76Å; I316-Q355 HydrophobicContact CG2-CB 3.93Å; T353-Q355 VanDerWaalsContact C-N 3.34Å; T353-Q355 WeakPolarHBondContact OG1-CB 3.45Å; T353-Q355 WeakPolarHBondContact OG1-CG 3.47Å; T353-Q355 PolarHBondContact OG1-N 2.77Å; Q355-F357 WeakPolarHBondContact O-CD1 3.35Å; Q355-F357 PolarHBondContact O-N 3.43Å; Q355-H382 PolarHBondContact O-ND1 2.96Å
356	D	83.1	Confident	86.4	Confident	107 Å²	107	34.5 Å²	34.5	57%	0.572	22%	0.215	S	C	*	.			trans	-73.8	87.5	177.8	-55	-62	0	0	0	112.2	R318 G319	R318-D356 VanDerWaalsContact CA-O 3.28Å; R318-D356 WeakPolarHBondContact CA-O 3.49Å; G319-D356 PolarHBondContact N-O 3.49Å
357	F	85.8	Confident	86.3	Confident	3 Å²	3	35.1 Å²	35.1	1%	0.013	22%	0.22	C	C	.	.			trans	-86.2	-22.5	175.5	59	-96.6	0	0	0	113.9	I316 G319 N320 P321 T353 Q355 M362 L380 H382	I316-F357 HydrophobicContact CG2-CB 3.98Å; G319-F357 CarbonylContact C-O 3.56Å; G319-F357 VanDerWaalsContact C-O 3.31Å; G319-F357 WeakPolarHBondContact CA-O 3.23Å; G319-F357 PolarHBondContact N-O 2.92Å; N320-F357 CarbonylContact C-O 3.57Å; N320-F357 VanDerWaalsContact C-O 3.3Å; N320-F357 PolarHBondContact N-O 2.76Å; P321-F357 WeakPolarHBondContact CA-O 3.37Å; P321-F357 HydrophobicContact CB-CD2 3.97Å; P321-F357 VanDerWaalsContact CD-O 3.29Å; P321-F357 WeakPolarHBondContact CD-O 3.29Å; T353-F357 HydrophobicContact CG2-CD1 3.73Å; T353-F357 HydrophobicContact CG2-CE1 3.9Å; Q355-F357 WeakPolarHBondContact O-CD1 3.35Å; Q355-F357 PolarHBondContact O-N 3.43Å; F357-M362 HydrophobicContact CE2-CG 4.43Å; F357-M362 HydrophobicContact CE2-SD 4.48Å; F357-L380 HydrophobicContact CB-CD2 4.16Å; F357-L380 HydrophobicContact CD1-CD1 4.2Å; F357-L380 HydrophobicContact CD1-CD2 4.18Å; F357-L380 HydrophobicContact CD1-CG 4.09Å; F357-L380 HydrophobicContact CD2-CD2 3.79Å; F357-L380 HydrophobicContact CD2-CG 4.12Å; F357-L380 HydrophobicContact CE1-CD1 4.2Å; F357-L380 HydrophobicContact CE1-CG 4Å; F357-L380 HydrophobicContact CE2-CD2 4.19Å; F357-L380 HydrophobicContact CE2-CG 4.05Å; F357-L380 HydrophobicContact CG-CD2 3.8Å; F357-L380 HydrophobicContact CG-CG 4.16Å; F357-L380 HydrophobicContact CZ-CG 3.98Å; F357-H382 HydrophobicContact CE1-CB 3.8Å; F357-H382 HydrophobicContact CZ-CB 4.11Å
358	G	81.7	Confident	86.1	Confident	17 Å²	17	37.6 Å²	37.6	18%	0.175	24%	0.235	C	C	.	.	S	Bend	trans	-122.4	178.7	-174.4	0	0	0	0	0	115.1
359	P	75.9	Confident	85.6	Confident	86 Å²	86	39.7 Å²	39.7	56%	0.558	25%	0.248	S	C	*	.	S	Bend	trans	-66.9	151.6	168.6	30	-35.3	0	0	0	111.5	G361 M362	P359-G361 PolarHBondContact O-N 3.46Å; P359-G361 VanDerWaalsContact O-N 3.17Å; P359-M362 HydrophobicContact CG-CB 4.29Å; P359-M362 HydrophobicContact CG-CE 4.32Å; P359-M362 VanDerWaalsContact O-CB 3.29Å; P359-M362 WeakPolarHBondContact O-CB 3.02Å; P359-M362 PolarHBondContact O-N 3.02Å
360	A	65.1	Low	85	Confident	116 Å²	116	39.8 Å²	39.8	96%	0.959	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.6	119.9	-175	0	0	0	0	0	112.7
361	G	63.5	Low	84.8	Confident	64 Å²	64	39.9 Å²	39.9	66%	0.66	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	106.6	-20.1	-176.1	0	0	0	0	0	114.6	P359 Q363	P359-G361 PolarHBondContact O-N 3.46Å; P359-G361 VanDerWaalsContact O-N 3.17Å; G361-Q363 PolarHBondContact O-N 3.37Å
362	M	73.4	Confident	84.3	Confident	68 Å²	68	41.5 Å²	41.5	34%	0.335	26%	0.261	S	S	.	.			trans	-69.4	120.9	167.9	-179.7	174.4	-78.9	0	0	109.4	P321 F357 P359 G364 Y365	P321-M362 HydrophobicContact CB-SD 3.65Å; P321-M362 HydrophobicContact CG-CE 4.39Å; P321-M362 HydrophobicContact CG-SD 3.83Å; F357-M362 HydrophobicContact CE2-CG 4.43Å; F357-M362 HydrophobicContact CE2-SD 4.48Å; P359-M362 HydrophobicContact CG-CB 4.29Å; P359-M362 HydrophobicContact CG-CE 4.32Å; P359-M362 VanDerWaalsContact O-CB 3.29Å; P359-M362 WeakPolarHBondContact O-CB 3.02Å; P359-M362 PolarHBondContact O-N 3.02Å; M362-G364 VanDerWaalsContact CG-O 3.31Å; M362-G364 WeakPolarHBondContact CG-O 3.38Å; M362-Y365 HydrophobicContact CE-CD2 4.13Å; M362-Y365 HydrophobicContact CE-CE2 4.5Å; M362-Y365 HydrophobicContact SD-CD2 4.22Å
363	Q	82.6	Confident	84	Confident	50 Å²	50	45.8 Å²	45.8	23%	0.234	28%	0.281	C	S	.	.			trans	-109.8	-17.6	179.5	-68.4	166.7	117.2	0	0	112.7	G361 H382 V391	G361-Q363 PolarHBondContact O-N 3.37Å; Q363-H382 WeakPolarHBondContact O-CA 3.26Å; Q363-H382 WeakPolarHBondContact O-CB 3.38Å; Q363-H382 PolarHBondContact O-N 3.13Å; Q363-V391 HydrophobicContact CB-CG1 4.13Å; Q363-V391 HydrophobicContact CB-CG2 3.9Å; Q363-V391 WeakPolarHBondContact O-CG1 3.46Å
364	G	88.5	Confident	83.5	Confident	8 Å²	8	49.5 Å²	49.5	8%	0.082	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	166.2	178.3	0	0	0	0	0	111.5	M362 L380 E395	M362-G364 VanDerWaalsContact CG-O 3.31Å; M362-G364 WeakPolarHBondContact CG-O 3.38Å; G364-L380 CarbonylContact C-O 3.59Å; G364-L380 WeakPolarHBondContact CA-O 3.28Å; G364-E395 VanDerWaalsContact C-CD 3.44Å; G364-E395 VanDerWaalsContact CA-OE1 3.23Å; G364-E395 WeakPolarHBondContact CA-OE1 3.3Å
365	Y	91.5	Very high	83.4	Confident	81 Å²	81	50.7 Å²	50.7	32%	0.318	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	126.6	170.7	-160.1	-110.4	0	0	0	111.6	P321 L325 M362 L380 E395	P321-Y365 HydrophobicContact CB-CD1 4.23Å; P321-Y365 HydrophobicContact CB-CD2 4.34Å; P321-Y365 HydrophobicContact CB-CG 4.05Å; L325-Y365 HydrophobicContact CB-CD1 3.87Å; L325-Y365 HydrophobicContact CB-CE1 4.47Å; L325-Y365 HydrophobicContact CD2-CD1 3.47Å; L325-Y365 VanDerWaalsContact CD2-CD1 3.47Å; L325-Y365 HydrophobicContact CD2-CE1 3.79Å; L325-Y365 HydrophobicContact CD2-CG 4.49Å; L325-Y365 HydrophobicContact CG-CD1 4.29Å; M362-Y365 HydrophobicContact CE-CD2 4.13Å; M362-Y365 HydrophobicContact CE-CE2 4.5Å; M362-Y365 HydrophobicContact SD-CD2 4.22Å; Y365-L380 PolarHBondContact N-O 2.9Å; Y365-L380 PolarHBondContact O-N 2.67Å; Y365-E395 VanDerWaalsContact CA-OE2 3.31Å; Y365-E395 WeakPolarHBondContact CA-OE2 3.36Å; Y365-E395 VanDerWaalsContact N-CD 3.34Å; Y365-E395 PolarHBondContact N-OE2 2.8Å
366	A	93	Very high	83.5	Confident	14 Å²	14	54.4 Å²	54.4	12%	0.116	33%	0.328	C	S	.	.			trans	-141.8	160.1	-177.8	0	0	0	0	0	112.7	T379 E395 H398 V399	A366-T379 HydrophobicContact CB-CG2 3.99Å; A366-E395 HydrophobicContact CB-CB 3.95Å; A366-E395 VanDerWaalsContact CB-O 3.32Å; A366-E395 WeakPolarHBondContact CB-O 3.04Å; A366-E395 WeakPolarHBondContact CB-OE2 3.44Å; A366-E395 PolarHBondContact N-OE2 2.87Å; A366-H398 HydrophobicContact CB-CB 4.06Å; A366-V399 HydrophobicContact CB-CG2 4.05Å
367	P	89.4	Confident	84	Confident	26 Å²	26	49.9 Å²	49.9	17%	0.169	31%	0.305	C	S	.	.			trans	-84.3	124.2	168.8	33.5	-29.9	0	0	0	110.9	T369 R376 C378 V399	P367-T369 PolarHBondContact O-N 2.89Å; P367-R376 HydrophobicContact CG-CB 4.21Å; P367-R376 WeakPolarHBondContact CG-O 3.31Å; P367-C378 WeakPolarHBondContact CD-O 3.37Å; P367-V399 HydrophobicContact CG-CG2 4.17Å
368	V	87.4	Confident	84.4	Confident	60 Å²	60	49.8 Å²	49.8	36%	0.364	31%	0.305	S	S	.	.	S	Bend	trans	-63	123.6	171	-172.5	0	0	0	0	109.5	R376 H398 E403	V368-R376 PolarHBondContact O-NH2 2.85Å; V368-H398 CarbonylContact C-O 3.58Å; V368-H398 WeakPolarHBondContact CA-O 3.05Å; V368-H398 HydrophobicContact CG2-CB 4.41Å; V368-E403 HydrophobicContact CG1-CG 4.3Å
369	T	84.5	Confident	85.1	Confident	44 Å²	44	49 Å²	49	27%	0.27	30%	0.296	S	S	.	.	S	Bend	trans	57.7	132.1	-162.4	65.4	0	0	0	0	114.1	P367 R376 H398 V399 Y445	P367-T369 PolarHBondContact O-N 2.89Å; T369-R376 PolarHBondContact O-NE 2.7Å; T369-R376 PolarHBondContact O-NH2 3.06Å; T369-R376 PolarHBondContact OG1-NH2 2.94Å; T369-R376 VanDerWaalsContact OG1-NH2 3.13Å; T369-H398 PolarHBondContact N-O 3.08Å; T369-V399 CarbonylContact C-O 3.6Å; T369-V399 WeakPolarHBondContact CA-O 3.45Å; T369-Y445 HydrophobicContact CG2-CE2 4.44Å
370	G	83.4	Confident	86	Confident	6 Å²	6	44.9 Å²	44.9	6%	0.062	27%	0.27	C	S	.	.			trans	172	-2.7	179.3	0	0	0	0	0	116.7	H373 R376 S377 V399	G370-H373 VanDerWaalsContact O-CB 3.26Å; G370-H373 WeakPolarHBondContact O-CB 3.03Å; G370-H373 PolarHBondContact O-N 2.82Å; G370-R376 CarbonylContact O-C 3.51Å; G370-S377 VanDerWaalsContact O-CA 3.31Å; G370-S377 WeakPolarHBondContact O-CA 3.38Å; G370-S377 VanDerWaalsContact O-CB 3.24Å; G370-S377 WeakPolarHBondContact O-CB 3.16Å; G370-S377 PolarHBondContact O-N 2.84Å; G370-S377 VanDerWaalsContact O-N 3.14Å; G370-V399 PolarHBondContact N-O 3.03Å
371	M	91.5	Very high	87.4	Confident	5 Å²	5	39.4 Å²	39.4	3%	0.025	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	147.7	-179.6	-162.2	56.6	75.4	0	0	111.8	I254 D347 H348 H373 S377 T396 V399 L400 Y449 L452	I254-M371 HydrophobicContact CD1-CE 3.98Å; I254-M371 HydrophobicContact CG2-CE 4.29Å; I254-M371 HydrophobicContact CG2-SD 4.22Å; D347-M371 HydrophobicContact CB-SD 4.38Å; H348-M371 HydrophobicContact CB-CE 4.23Å; H348-M371 HydrophobicContact CB-SD 3.86Å; M371-H373 PolarHBondContact O-N 3.08Å; M371-S377 PolarHBondContact SD-OG 2.6Å; M371-S377 VanDerWaalsContact SD-OG 3.33Å; M371-T396 HydrophobicContact CE-CG2 4.15Å; M371-V399 HydrophobicContact CB-CG1 4.27Å; M371-V399 HydrophobicContact CE-CG1 4.01Å; M371-V399 PolarHBondContact N-O 3Å; M371-V399 VanDerWaalsContact N-O 3.11Å; M371-L400 HydrophobicContact CB-CD2 4.35Å; M371-L400 HydrophobicContact CE-CD2 3.81Å; M371-L400 HydrophobicContact CE-CG 3.96Å; M371-L400 HydrophobicContact CG-CD2 4.11Å; M371-Y449 HydrophobicContact CB-CD1 3.85Å; M371-Y449 HydrophobicContact CB-CD2 4.02Å; M371-Y449 HydrophobicContact CB-CE1 3.77Å; M371-Y449 HydrophobicContact CB-CE2 3.95Å; M371-Y449 HydrophobicContact CB-CG 3.98Å; M371-Y449 HydrophobicContact CG-CD2 4.41Å; M371-Y449 HydrophobicContact CG-CG 4.33Å; M371-L452 HydrophobicContact CG-CD1 3.92Å; M371-L452 HydrophobicContact CG-CD2 3.94Å; M371-L452 HydrophobicContact CG-CG 4.32Å; M371-L452 HydrophobicContact SD-CD2 4.33Å
372	C	86.6	Confident	88.6	Confident	36 Å²	36	38 Å²	38	24%	0.243	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	-11.6	-166.7	-43	0	0	0	0	116.6	P374 C451	C372-P374 WeakPolarHBondContact O-CD 3.39Å; C372-C451 VanDerWaalsContact CA-SG 3.52Å; C372-C451 HydrophobicContact CB-CB 3.87Å; C372-C451 WeakPolarHBondContact CB-SG 3.46Å; C372-C451 WeakPolarHBondContact SG-CB 3.42Å; C372-C451 CovalentContact SG-SG 2.02Å; C372-C451 PolarHBondContact SG-SG 3.14Å
373	H	88.4	Confident	89.1	Confident	90 Å²	90	34.8 Å²	34.8	42%	0.417	19%	0.185	S	C	.	.			trans	-86.6	120.4	-171.8	-179	-89.8	0	0	0	111.9	G370 M371 L375 R376 S377	G370-H373 VanDerWaalsContact O-CB 3.26Å; G370-H373 WeakPolarHBondContact O-CB 3.03Å; G370-H373 PolarHBondContact O-N 2.82Å; M371-H373 PolarHBondContact O-N 3.08Å; H373-L375 PolarHBondContact ND1-N 3.29Å; H373-L375 PolarHBondContact O-N 2.79Å; H373-R376 HydrophobicContact CB-CB 4.15Å; H373-R376 WeakPolarHBondContact ND1-CB 3.46Å; H373-R376 WeakPolarHBondContact ND1-CG 3.32Å; H373-R376 PolarHBondContact ND1-N 3.09Å; H373-R376 PolarHBondContact O-N 3.41Å; H373-S377 PolarHBondContact O-N 3.03Å
374	P	82.9	Confident	88.6	Confident	77 Å²	77	35.8 Å²	35.8	50%	0.5	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-20.5	-167.2	-26.8	34	0	0	0	116.8	N333 C372	N333-P374 VanDerWaalsContact CB-O 3.31Å; N333-P374 WeakPolarHBondContact CB-O 3.4Å; N333-P374 VanDerWaalsContact OD1-CB 3.28Å; N333-P374 WeakPolarHBondContact OD1-CB 3.39Å; N333-P374 PolarHBondContact OD1-O 3.39Å; C372-P374 WeakPolarHBondContact O-CD 3.39Å
375	L	86.4	Confident	87.4	Confident	83 Å²	83	36.3 Å²	36.3	44%	0.435	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.4	11.9	177.3	-70.5	171.1	0	0	0	113.8	R330 N333 H373	R330-L375 HydrophobicContact CG-CD2 4.08Å; N333-L375 HydrophobicContact CB-CD2 3.8Å; H373-L375 PolarHBondContact ND1-N 3.29Å; H373-L375 PolarHBondContact O-N 2.79Å
376	R	88.4	Confident	86.1	Confident	102 Å²	102	32.6 Å²	32.6	39%	0.385	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-137.5	-12.3	178	-68.2	174.3	64.8	154.2	2.7	114.4	P367 V368 T369 G370 H373 C378	P367-R376 HydrophobicContact CG-CB 4.21Å; P367-R376 WeakPolarHBondContact CG-O 3.31Å; V368-R376 PolarHBondContact O-NH2 2.85Å; T369-R376 PolarHBondContact O-NE 2.7Å; T369-R376 PolarHBondContact O-NH2 3.06Å; T369-R376 PolarHBondContact OG1-NH2 2.94Å; T369-R376 VanDerWaalsContact OG1-NH2 3.13Å; G370-R376 CarbonylContact O-C 3.51Å; H373-R376 HydrophobicContact CB-CB 4.15Å; H373-R376 WeakPolarHBondContact ND1-CB 3.46Å; H373-R376 WeakPolarHBondContact ND1-CG 3.32Å; H373-R376 PolarHBondContact ND1-N 3.09Å; H373-R376 PolarHBondContact O-N 3.41Å; R376-C378 PolarHBondContact O-N 2.67Å
377	S	93.9	Very high	84.7	Confident	11 Å²	11	33.1 Å²	33.1	8%	0.077	19%	0.185	C	C	.	.	S	Bend	trans	-82.2	67.4	175.5	-157.3	0	0	0	0	111	D347 H348 A349 G370 M371 H373	D347-S377 WeakPolarHBondContact O-CB 3.28Å; D347-S377 PolarHBondContact O-OG 3.23Å; H348-S377 WeakPolarHBondContact CA-OG 3.4Å; H348-S377 VanDerWaalsContact ND1-C 3.29Å; H348-S377 PolarHBondContact ND1-O 2.88Å; H348-S377 PolarHBondContact ND1-OG 2.99Å; A349-S377 PolarHBondContact N-O 2.87Å; G370-S377 VanDerWaalsContact O-CA 3.31Å; G370-S377 WeakPolarHBondContact O-CA 3.38Å; G370-S377 VanDerWaalsContact O-CB 3.24Å; G370-S377 WeakPolarHBondContact O-CB 3.16Å; G370-S377 PolarHBondContact O-N 2.84Å; G370-S377 VanDerWaalsContact O-N 3.14Å; M371-S377 PolarHBondContact SD-OG 2.6Å; M371-S377 VanDerWaalsContact SD-OG 3.33Å; H373-S377 PolarHBondContact O-N 3.03Å
378	C	94.8	Very high	84.1	Confident	2 Å²	2	32 Å²	32	1%	0.014	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	138.2	-169	42.9	0	0	0	0	111.8	C329 H348 A349 P367 R376	C329-C378 HydrophobicContact CB-CB 3.9Å; C329-C378 WeakPolarHBondContact CB-SG 3.17Å; C329-C378 WeakPolarHBondContact SG-CB 3.06Å; C329-C378 CovalentContact SG-SG 2.02Å; C329-C378 PolarHBondContact SG-SG 3.18Å; H348-C378 PolarHBondContact CE1-N 2.81Å; A349-C378 CarbonylContact O-C 3.57Å; A349-C378 VanDerWaalsContact O-CA 3.24Å; A349-C378 WeakPolarHBondContact O-CA 3.49Å; P367-C378 WeakPolarHBondContact CD-O 3.37Å; R376-C378 PolarHBondContact O-N 2.67Å
379	T	95.7	Very high	83.7	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	142.1	174.5	56.8	0	0	0	0	111.5	A349 F351 A366 N381 E395 V399	A349-T379 PolarHBondContact O-N 2.83Å; F351-T379 PolarHBondContact N-O 3.2Å; A366-T379 HydrophobicContact CB-CG2 3.99Å; T379-N381 WeakPolarHBondContact CB-ND2 3.47Å; T379-N381 PolarHBondContact OG1-ND2 2.85Å; T379-E395 VanDerWaalsContact CG2-C 3.48Å; T379-E395 HydrophobicContact CG2-CB 3.65Å; T379-E395 WeakPolarHBondContact CG2-O 3.43Å; T379-V399 HydrophobicContact CG2-CG2 3.9Å
380	L	94.6	Very high	83.5	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	116.4	172.4	172.3	56.9	0	0	0	109.2	I316 S324 L325 F351 T353 F357 G364 Y365	I316-L380 HydrophobicContact CD1-CD1 3.61Å; I316-L380 HydrophobicContact CD1-CD2 4.16Å; S324-L380 VanDerWaalsContact CB-CD2 3.45Å; L325-L380 HydrophobicContact CB-CB 4.48Å; L325-L380 HydrophobicContact CD1-CB 4.05Å; F351-L380 HydrophobicContact CB-CD1 4.48Å; F351-L380 HydrophobicContact CD1-CD1 3.78Å; T353-L380 HydrophobicContact CG2-CD1 3.86Å; F357-L380 HydrophobicContact CB-CD2 4.16Å; F357-L380 HydrophobicContact CD1-CD1 4.2Å; F357-L380 HydrophobicContact CD1-CD2 4.18Å; F357-L380 HydrophobicContact CD1-CG 4.09Å; F357-L380 HydrophobicContact CD2-CD2 3.79Å; F357-L380 HydrophobicContact CD2-CG 4.12Å; F357-L380 HydrophobicContact CE1-CD1 4.2Å; F357-L380 HydrophobicContact CE1-CG 4Å; F357-L380 HydrophobicContact CE2-CD2 4.19Å; F357-L380 HydrophobicContact CE2-CG 4.05Å; F357-L380 HydrophobicContact CG-CD2 3.8Å; F357-L380 HydrophobicContact CG-CG 4.16Å; F357-L380 HydrophobicContact CZ-CG 3.98Å; G364-L380 CarbonylContact C-O 3.59Å; G364-L380 WeakPolarHBondContact CA-O 3.28Å; Y365-L380 PolarHBondContact N-O 2.9Å; Y365-L380 PolarHBondContact O-N 2.67Å
381	N	94.4	Very high	83.7	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	135.8	-170	-51.7	-89.7	0	0	0	110.8	F351 L352 T353 T379 V392 E395	F351-N381 PolarHBondContact O-N 3.44Å; F351-N381 PolarHBondContact O-ND2 3.02Å; L352-N381 HydrophobicContact CD2-CB 4.04Å; T353-N381 PolarHBondContact N-O 3.21Å; T379-N381 WeakPolarHBondContact CB-ND2 3.47Å; T379-N381 PolarHBondContact OG1-ND2 2.85Å; N381-V392 HydrophobicContact CB-CG2 3.98Å; N381-V392 WeakPolarHBondContact OD1-CA 3.39Å; N381-E395 WeakPolarHBondContact OD1-CG 3.4Å
382	H	88.5	Confident	83.6	Confident	36 Å²	36	27 Å²	27	17%	0.167	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	125.2	171.6	-164.7	84.8	0	0	0	109.6	T353 Q355 F357 Q363 S388	T353-H382 CarbonylContact O-C 3.45Å; T353-H382 VanDerWaalsContact O-CA 3.27Å; T353-H382 WeakPolarHBondContact O-CA 3.21Å; Q355-H382 PolarHBondContact O-ND1 2.96Å; F357-H382 HydrophobicContact CE1-CB 3.8Å; F357-H382 HydrophobicContact CZ-CB 4.11Å; Q363-H382 WeakPolarHBondContact O-CA 3.26Å; Q363-H382 WeakPolarHBondContact O-CB 3.38Å; Q363-H382 PolarHBondContact O-N 3.13Å; H382-S388 WeakPolarHBondContact O-CB 3.38Å
383	E	85.8	Confident	83.8	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.135	C	C	.	.			trans	-89.8	112.5	-179.7	-170.8	-71.4	109	0	0	108.8	V264 H268 Y276 T353 R354 G385	V264-E383 HydrophobicContact CG1-CG 3.96Å; V264-E383 HydrophobicContact CG2-CB 3.86Å; V264-E383 HydrophobicContact CG2-CG 4.03Å; H268-E383 IonicContact CD2-OE2 2.66Å; H268-E383 IonicContact NE2-OE1 2.67Å; H268-E383 IonicContact NE2-OE2 3.96Å; H268-E383 PolarHBondContact NE2-OE2 3.09Å; Y276-E383 HydrophobicContact CE1-CG 3.9Å; Y276-E383 PolarHBondContact OH-OE1 2.86Å; T353-E383 PolarHBondContact O-N 3.3Å; R354-E383 WeakPolarHBondContact CD-OE2 3.4Å; R354-E383 HydrophobicContact CG-CB 4.16Å; R354-E383 VanDerWaalsContact CG-OE2 3.23Å; R354-E383 WeakPolarHBondContact CG-OE2 3.47Å; R354-E383 IonicContact CZ-OE2 3.58Å; R354-E383 IonicContact NE-OE2 2.71Å; R354-E383 VanDerWaalsContact NH1-CD 3.26Å; R354-E383 PolarHBondContact NH1-O 3.3Å; R354-E383 VanDerWaalsContact NH1-O 3.08Å; R354-E383 IonicContact NH1-OE1 3.61Å; R354-E383 PolarHBondContact NH1-OE1 3.14Å; R354-E383 IonicContact NH1-OE2 3.6Å; R354-E383 PolarHBondContact NH1-OE2 2.85Å; R354-E383 PolarHBondContact NH2-O 3.12Å; E383-G385 PolarHBondContact OE1-N 3.09Å
384	D	71.9	Confident	83.9	Confident	70 Å²	70	21.6 Å²	21.6	37%	0.374	12%	0.117	S	C	.	.			trans	-141.2	61.4	176.1	-161.7	29.6	0	0	0	111.4	R354 S387	R354-D384 IonicContact CZ-OD1 2.86Å; R354-D384 IonicContact NH1-OD1 3.77Å; R354-D384 IonicContact NH2-OD1 3.79Å; R354-D384 PolarHBondContact NH2-OD1 3.32Å; D384-S387 PolarHBondContact O-OG 3Å; D384-S387 VanDerWaalsContact O-OG 3.09Å
385	G	63.2	Low	84.4	Confident	19 Å²	19	18.7 Å²	18.7	20%	0.196	10%	0.097	C	C	.	.	S	Bend	trans	76.4	-177.7	-175.1	0	0	0	0	0	113.2	Y276 E383 S387 S388	Y276-G385 WeakPolarHBondContact OH-CA 3.33Å; Y276-G385 PolarHBondContact OH-N 3.09Å; Y276-G385 PolarHBondContact OH-O 2.83Å; E383-G385 PolarHBondContact OE1-N 3.09Å; G385-S387 PolarHBondContact O-N 2.88Å; G385-S388 WeakPolarHBondContact O-CB 3.24Å; G385-S388 PolarHBondContact O-N 3.49Å; G385-S388 PolarHBondContact O-OG 2.78Å
386	F	63	Low	84.8	Confident	4 Å²	4	14.9 Å²	14.9	2%	0.018	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-18.9	-175.2	-66.6	-54.3	0	0	0	114.8	A166 F177 E179 Y276 T279 L280 I283 S388 A389	A166-F386 HydrophobicContact CB-CE2 4.09Å; A166-F386 HydrophobicContact CB-CZ 3.91Å; F177-F386 HydrophobicContact CD1-CB 3.53Å; F177-F386 HydrophobicContact CD1-CG 4.44Å; F177-F386 HydrophobicContact CE1-CB 3.54Å; F177-F386 HydrophobicContact CG-CB 4.45Å; F177-F386 HydrophobicContact CZ-CB 4.47Å; E179-F386 HydrophobicContact CB-CE2 4.23Å; Y276-F386 HydrophobicContact CD2-CD1 4.19Å; Y276-F386 AromaticContact CD2-CE1 3.36Å; Y276-F386 HydrophobicContact CD2-CE1 3.36Å; Y276-F386 HydrophobicContact CD2-CE2 4.5Å; Y276-F386 AromaticContact CD2-CZ 3.56Å; Y276-F386 HydrophobicContact CD2-CZ 3.56Å; Y276-F386 AromaticContact CE2-CD1 3.62Å; Y276-F386 HydrophobicContact CE2-CD1 3.62Å; Y276-F386 AromaticContact CE2-CE1 3.27Å; Y276-F386 HydrophobicContact CE2-CE1 3.27Å; Y276-F386 HydrophobicContact CE2-CE2 4.35Å; Y276-F386 HydrophobicContact CE2-CG 4.28Å; Y276-F386 AromaticContact CE2-CZ 3.69Å; Y276-F386 HydrophobicContact CE2-CZ 3.69Å; Y276-F386 HydrophobicContact CG-CE1 4.49Å; T279-F386 HydrophobicContact CG2-CD1 4.24Å; T279-F386 HydrophobicContact CG2-CE1 3.48Å; T279-F386 VanDerWaalsContact CG2-CE1 3.48Å; T279-F386 HydrophobicContact CG2-CZ 3.68Å; L280-F386 HydrophobicContact CD1-CD1 4.08Å; I283-F386 HydrophobicContact CD1-CB 3.93Å; I283-F386 HydrophobicContact CD1-CD1 3.92Å; I283-F386 HydrophobicContact CD1-CG 4.07Å; F386-S388 PolarHBondContact O-N 3.22Å; F386-A389 WeakPolarHBondContact O-CB 3Å; F386-A389 PolarHBondContact O-N 2.72Å; F386-A389 VanDerWaalsContact O-N 3.09Å
387	S	64.1	Low	85	Confident	24 Å²	24	10 Å²	10	17%	0.168	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-25.8	167.9	19.5	0	0	0	0	113.9	D384 G385 A389 F390	D384-S387 PolarHBondContact O-OG 3Å; D384-S387 VanDerWaalsContact O-OG 3.09Å; G385-S387 PolarHBondContact O-N 2.88Å; S387-A389 PolarHBondContact O-N 3.17Å; S387-F390 PolarHBondContact O-N 3.03Å
388	S	77.3	Confident	84.9	Confident	3 Å²	3	10.2 Å²	10.2	2%	0.021	6%	0.059	C	C	.	.	H	α-helix	trans	-66.7	-15.6	175.5	60.7	0	0	0	0	113.8	L280 H382 G385 F386 F390 V391 V392	L280-S388 WeakPolarHBondContact CD1-OG 3.3Å; H382-S388 WeakPolarHBondContact O-CB 3.38Å; G385-S388 WeakPolarHBondContact O-CB 3.24Å; G385-S388 PolarHBondContact O-N 3.49Å; G385-S388 PolarHBondContact O-OG 2.78Å; F386-S388 PolarHBondContact O-N 3.22Å; S388-F390 VanDerWaalsContact C-N 3.27Å; S388-F390 PolarHBondContact O-N 2.86Å; S388-V391 WeakPolarHBondContact O-CA 3.49Å; S388-V391 WeakPolarHBondContact O-CB 3.32Å; S388-V391 PolarHBondContact O-N 2.72Å; S388-V392 WeakPolarHBondContact O-CG2 3.47Å; S388-V392 PolarHBondContact O-N 2.98Å
389	A	78.5	Confident	84.9	Confident	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-61.2	-35.6	172.4	0	0	0	0	0	112.3	L280 I283 V284 I287 F386 S387 V391 V392 A393	L280-A389 HydrophobicContact CD1-CB 3.89Å; L280-A389 HydrophobicContact CG-CB 4.35Å; I283-A389 HydrophobicContact CB-CB 3.79Å; I283-A389 HydrophobicContact CG2-CB 3.58Å; V284-A389 HydrophobicContact CG2-CB 3.85Å; I287-A389 HydrophobicContact CD1-CB 4.41Å; F386-A389 WeakPolarHBondContact O-CB 3Å; F386-A389 PolarHBondContact O-N 2.72Å; F386-A389 VanDerWaalsContact O-N 3.09Å; S387-A389 PolarHBondContact O-N 3.17Å; A389-V391 VanDerWaalsContact C-N 3.3Å; A389-V391 PolarHBondContact O-N 3.05Å; A389-V392 PolarHBondContact O-N 2.86Å; A389-A393 WeakPolarHBondContact O-CB 3.05Å; A389-A393 PolarHBondContact O-N 3.03Å
390	F	80.1	Confident	84.8	Confident	5 Å²	5	10.1 Å²	10.1	2%	0.022	6%	0.058	C	C	.	.	H	α-helix	trans	-68.3	-30.3	173.8	-67.9	-76.2	0	0	0	112.6	L168 F177 R200 I287 S387 S388 H394 Y432	L168-F390 HydrophobicContact CD2-CZ 4.13Å; F177-F390 HydrophobicContact CZ-CE2 4.18Å; R200-F390 VanDerWaalsContact CZ-CD2 3.49Å; R200-F390 VanDerWaalsContact NH1-CE2 3.3Å; R200-F390 VanDerWaalsContact NH2-CG 3.33Å; I287-F390 HydrophobicContact CD1-CD1 3.56Å; I287-F390 HydrophobicContact CD1-CE1 3.56Å; I287-F390 HydrophobicContact CD1-CG 4.11Å; I287-F390 HydrophobicContact CD1-CZ 4.11Å; I287-F390 HydrophobicContact CG1-CD1 4.32Å; I287-F390 HydrophobicContact CG1-CE1 3.95Å; S387-F390 PolarHBondContact O-N 3.03Å; S388-F390 VanDerWaalsContact C-N 3.27Å; S388-F390 PolarHBondContact O-N 2.86Å; F390-H394 VanDerWaalsContact O-CB 3.27Å; F390-H394 WeakPolarHBondContact O-CB 3.4Å; F390-H394 PolarHBondContact O-N 2.73Å; F390-Y432 AromaticContact CE1-CD1 3.5Å; F390-Y432 HydrophobicContact CE1-CD1 3.5Å; F390-Y432 HydrophobicContact CE1-CD2 4.11Å; F390-Y432 HydrophobicContact CE1-CE1 4.01Å; F390-Y432 AromaticContact CE1-CG 3.54Å; F390-Y432 HydrophobicContact CE1-CG 3.54Å; F390-Y432 AromaticContact CZ-CD1 3.61Å; F390-Y432 HydrophobicContact CZ-CD1 3.61Å; F390-Y432 AromaticContact CZ-CE1 3.92Å; F390-Y432 HydrophobicContact CZ-CE1 3.92Å; F390-Y432 HydrophobicContact CZ-CG 4.16Å
391	V	87.1	Confident	84.5	Confident	6 Å²	6	10.3 Å²	10.3	4%	0.036	6%	0.06	C	C	.	.	H	α-helix	trans	-70.7	-48.7	173.5	-177.4	0	0	0	0	109.4	Q363 S388 A389 A393 H394 E395	Q363-V391 HydrophobicContact CB-CG1 4.13Å; Q363-V391 HydrophobicContact CB-CG2 3.9Å; Q363-V391 WeakPolarHBondContact O-CG1 3.46Å; S388-V391 WeakPolarHBondContact O-CA 3.49Å; S388-V391 WeakPolarHBondContact O-CB 3.32Å; S388-V391 PolarHBondContact O-N 2.72Å; A389-V391 VanDerWaalsContact C-N 3.3Å; A389-V391 PolarHBondContact O-N 3.05Å; V391-A393 VanDerWaalsContact C-N 3.28Å; V391-A393 PolarHBondContact O-N 3.45Å; V391-H394 WeakPolarHBondContact O-CB 3.47Å; V391-H394 PolarHBondContact O-N 2.65Å; V391-E395 HydrophobicContact CG1-CG 4.07Å; V391-E395 WeakPolarHBondContact O-CG 3.06Å; V391-E395 PolarHBondContact O-N 2.88Å
392	V	91.1	Very high	84.4	Confident	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-56.5	-41.5	176.1	175.9	0	0	0	0	111.8	V284 I350 L352 N381 S388 A389 T396	V284-V392 HydrophobicContact CG1-CG1 4.08Å; V284-V392 HydrophobicContact CG2-CB 3.91Å; V284-V392 HydrophobicContact CG2-CG1 3.81Å; I350-V392 HydrophobicContact CD1-CG1 3.78Å; I350-V392 HydrophobicContact CG2-CG1 3.92Å; I350-V392 HydrophobicContact CG2-CG2 4.34Å; L352-V392 HydrophobicContact CD2-CG2 3.9Å; N381-V392 HydrophobicContact CB-CG2 3.98Å; N381-V392 WeakPolarHBondContact OD1-CA 3.39Å; S388-V392 WeakPolarHBondContact O-CG2 3.47Å; S388-V392 PolarHBondContact O-N 2.98Å; A389-V392 PolarHBondContact O-N 2.86Å; V392-T396 VanDerWaalsContact O-CB 3.22Å; V392-T396 WeakPolarHBondContact O-CB 3.27Å; V392-T396 PolarHBondContact O-N 3.3Å; V392-T396 PolarHBondContact O-OG1 3.2Å
393	A	90.1	Very high	84.5	Confident	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-66.6	-41	174.4	0	0	0	0	0	113.1	I287 Y288 A389 V391 G397 I420 W434	I287-A393 HydrophobicContact CB-CB 4.35Å; I287-A393 HydrophobicContact CD1-CB 4.35Å; I287-A393 HydrophobicContact CG2-CB 3.67Å; Y288-A393 HydrophobicContact CE2-CB 4.2Å; Y288-A393 PolarHBondContact OH-O 3.48Å; Y288-A393 VanDerWaalsContact OH-O 3.07Å; A389-A393 WeakPolarHBondContact O-CB 3.05Å; A389-A393 PolarHBondContact O-N 3.03Å; V391-A393 VanDerWaalsContact C-N 3.28Å; V391-A393 PolarHBondContact O-N 3.45Å; A393-G397 PolarHBondContact O-N 3.21Å; A393-I420 HydrophobicContact CB-CG2 4.43Å; A393-W434 HydrophobicContact CB-CH2 4.5Å
394	H	89.7	Confident	84.7	Confident	12 Å²	12	16.1 Å²	16.1	6%	0.056	9%	0.087	C	C	.	.	H	α-helix	trans	-63.3	-50.1	175.9	-179.3	104.4	0	0	0	112.1	F390 V391 T396 G397 H398 H404 I420 A422	F390-H394 VanDerWaalsContact O-CB 3.27Å; F390-H394 WeakPolarHBondContact O-CB 3.4Å; F390-H394 PolarHBondContact O-N 2.73Å; V391-H394 WeakPolarHBondContact O-CB 3.47Å; V391-H394 PolarHBondContact O-N 2.65Å; H394-T396 VanDerWaalsContact C-N 3.33Å; H394-T396 PolarHBondContact O-N 3.47Å; H394-G397 WeakPolarHBondContact O-CA 3.46Å; H394-G397 PolarHBondContact O-N 3.34Å; H394-G397 VanDerWaalsContact O-N 3.13Å; H394-H398 AromaticContact CD2-CD2 3.59Å; H394-H398 AromaticContact CD2-NE2 3.39Å; H394-H398 PolarHBondContact CD2-NE2 2.71Å; H394-H398 AromaticContact CE1-NE2 3.9Å; H394-H398 AromaticContact NE2-CD2 3.74Å; H394-H398 AromaticContact NE2-NE2 3.01Å; H394-H398 PolarHBondContact NE2-NE2 2.03Å; H394-H398 PolarHBondContact O-CD2 2.03Å; H394-H398 PolarHBondContact O-N 2.71Å; H394-H404 AromaticContact CE1-CD2 3.59Å; H394-H404 AromaticContact CE1-NE2 3.61Å; H394-H404 AromaticContact NE2-CD2 3.62Å; H394-H404 AromaticContact NE2-NE2 3.2Å; H394-H404 PolarHBondContact NE2-NE2 2.99Å; H394-H404 VanDerWaalsContact NE2-NE2 3.2Å; H394-I420 HydrophobicContact CB-CG2 4.47Å; H394-I420 PolarHBondContact ND1-O 2.93Å; H394-A422 PolarHBondContact CE1-O 2.96Å
395	E	93.9	Very high	85.3	Confident	16 Å²	16	12.8 Å²	12.8	8%	0.075	7%	0.069	C	C	.	.	H	α-helix	trans	-64.2	-36.7	177.9	-63	-48.8	145.5	0	0	112	G364 Y365 A366 T379 N381 V391 G397 H398 V399	G364-E395 VanDerWaalsContact C-CD 3.44Å; G364-E395 VanDerWaalsContact CA-OE1 3.23Å; G364-E395 WeakPolarHBondContact CA-OE1 3.3Å; Y365-E395 VanDerWaalsContact CA-OE2 3.31Å; Y365-E395 WeakPolarHBondContact CA-OE2 3.36Å; Y365-E395 VanDerWaalsContact N-CD 3.34Å; Y365-E395 PolarHBondContact N-OE2 2.8Å; A366-E395 HydrophobicContact CB-CB 3.95Å; A366-E395 VanDerWaalsContact CB-O 3.32Å; A366-E395 WeakPolarHBondContact CB-O 3.04Å; A366-E395 WeakPolarHBondContact CB-OE2 3.44Å; A366-E395 PolarHBondContact N-OE2 2.87Å; T379-E395 VanDerWaalsContact CG2-C 3.48Å; T379-E395 HydrophobicContact CG2-CB 3.65Å; T379-E395 WeakPolarHBondContact CG2-O 3.43Å; N381-E395 WeakPolarHBondContact OD1-CG 3.4Å; V391-E395 HydrophobicContact CG1-CG 4.07Å; V391-E395 WeakPolarHBondContact O-CG 3.06Å; V391-E395 PolarHBondContact O-N 2.88Å; E395-G397 VanDerWaalsContact C-N 3.35Å; E395-H398 PolarHBondContact O-N 3.12Å; E395-H398 IonicContact OE2-CD2 2.72Å; E395-V399 PolarHBondContact O-N 2.94Å
396	T	95	Very high	86.1	Confident	3 Å²	3	13.4 Å²	13.4	2%	0.018	8%	0.075	C	C	.	.	H	α-helix	trans	-71.5	-31.3	174.3	-53.5	0	0	0	0	111.3	Y288 M371 V392 H394 V399 L400	Y288-T396 HydrophobicContact CE2-CG2 4.35Å; Y288-T396 VanDerWaalsContact OH-CB 3.26Å; Y288-T396 WeakPolarHBondContact OH-CB 3.29Å; Y288-T396 WeakPolarHBondContact OH-CG2 3.29Å; M371-T396 HydrophobicContact CE-CG2 4.15Å; V392-T396 VanDerWaalsContact O-CB 3.22Å; V392-T396 WeakPolarHBondContact O-CB 3.27Å; V392-T396 PolarHBondContact O-N 3.3Å; V392-T396 PolarHBondContact O-OG1 3.2Å; H394-T396 VanDerWaalsContact C-N 3.33Å; H394-T396 PolarHBondContact O-N 3.47Å; T396-V399 PolarHBondContact O-N 2.63Å; T396-L400 PolarHBondContact O-N 2.78Å
397	G	92.3	Very high	86.6	Confident	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-59.7	-44.5	170.3	0	0	0	0	0	112.9	Y288 A393 H394 E395 V399 L400 G401 M402	Y288-G397 PolarHBondContact OH-N 2.87Å; Y288-G397 VanDerWaalsContact OH-N 3.14Å; A393-G397 PolarHBondContact O-N 3.21Å; H394-G397 WeakPolarHBondContact O-CA 3.46Å; H394-G397 PolarHBondContact O-N 3.34Å; H394-G397 VanDerWaalsContact O-N 3.13Å; E395-G397 VanDerWaalsContact C-N 3.35Å; G397-V399 VanDerWaalsContact C-N 3.32Å; G397-V399 PolarHBondContact O-N 3.08Å; G397-L400 PolarHBondContact O-N 2.76Å; G397-G401 PolarHBondContact O-N 2.98Å; G397-G401 VanDerWaalsContact O-N 3.08Å; G397-M402 WeakPolarHBondContact O-CB 3.43Å; G397-M402 PolarHBondContact O-N 3.03Å
398	H	91.5	Very high	86.8	Confident	14 Å²	14	21.4 Å²	21.4	7%	0.065	13%	0.131	C	C	.	.	H	α-helix	trans	-56.4	-44.8	171.1	-74.4	-63.8	0	0	0	111.6	A366 V368 T369 H394 E395 L400 G401 M402 H404	A366-H398 HydrophobicContact CB-CB 4.06Å; V368-H398 CarbonylContact C-O 3.58Å; V368-H398 WeakPolarHBondContact CA-O 3.05Å; V368-H398 HydrophobicContact CG2-CB 4.41Å; T369-H398 PolarHBondContact N-O 3.08Å; H394-H398 AromaticContact CD2-CD2 3.59Å; H394-H398 AromaticContact CD2-NE2 3.39Å; H394-H398 PolarHBondContact CD2-NE2 2.71Å; H394-H398 AromaticContact CE1-NE2 3.9Å; H394-H398 AromaticContact NE2-CD2 3.74Å; H394-H398 AromaticContact NE2-NE2 3.01Å; H394-H398 PolarHBondContact NE2-NE2 2.03Å; H394-H398 PolarHBondContact O-CD2 2.03Å; H394-H398 PolarHBondContact O-N 2.71Å; E395-H398 PolarHBondContact O-N 3.12Å; E395-H398 IonicContact OE2-CD2 2.72Å; H398-L400 VanDerWaalsContact C-N 3.34Å; H398-L400 PolarHBondContact O-N 3.31Å; H398-G401 WeakPolarHBondContact O-CA 3.4Å; H398-G401 PolarHBondContact O-N 2.94Å; H398-M402 PolarHBondContact ND1-O 3.15Å; H398-H404 AromaticContact CE1-CD2 3.42Å; H398-H404 PolarHBondContact CE1-CD2 3.33Å; H398-H404 VanDerWaalsContact CE1-CD2 3.42Å; H398-H404 AromaticContact CE1-NE2 3.41Å; H398-H404 PolarHBondContact CE1-NE2 3.07Å; H398-H404 AromaticContact NE2-CD2 3.58Å; H398-H404 AromaticContact NE2-NE2 3.25Å; H398-H404 PolarHBondContact NE2-NE2 2.55Å
399	V	94.9	Very high	87.1	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-67.7	-31.8	-179.6	178.5	0	0	0	0	113	A366 P367 T369 G370 M371 T379 E395 T396 G397 G401	A366-V399 HydrophobicContact CB-CG2 4.05Å; P367-V399 HydrophobicContact CG-CG2 4.17Å; T369-V399 CarbonylContact C-O 3.6Å; T369-V399 WeakPolarHBondContact CA-O 3.45Å; G370-V399 PolarHBondContact N-O 3.03Å; M371-V399 HydrophobicContact CB-CG1 4.27Å; M371-V399 HydrophobicContact CE-CG1 4.01Å; M371-V399 PolarHBondContact N-O 3Å; M371-V399 VanDerWaalsContact N-O 3.11Å; T379-V399 HydrophobicContact CG2-CG2 3.9Å; E395-V399 PolarHBondContact O-N 2.94Å; T396-V399 PolarHBondContact O-N 2.63Å; G397-V399 VanDerWaalsContact C-N 3.32Å; G397-V399 PolarHBondContact O-N 3.08Å; V399-G401 VanDerWaalsContact C-N 3.26Å; V399-G401 PolarHBondContact O-N 2.96Å
400	L	94.2	Very high	87.3	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-68.9	-23.4	169	-72.5	166.6	0	0	0	112.5	I254 Y288 I297 M371 T396 G397 H398 M402 L442 I446 Y449 L452	I254-L400 HydrophobicContact CD1-CD1 4.45Å; I254-L400 HydrophobicContact CD1-CD2 4.43Å; Y288-L400 HydrophobicContact CE1-CD1 3.78Å; I297-L400 HydrophobicContact CD1-CD1 4.21Å; M371-L400 HydrophobicContact CB-CD2 4.35Å; M371-L400 HydrophobicContact CE-CD2 3.81Å; M371-L400 HydrophobicContact CE-CG 3.96Å; M371-L400 HydrophobicContact CG-CD2 4.11Å; T396-L400 PolarHBondContact O-N 2.78Å; G397-L400 PolarHBondContact O-N 2.76Å; H398-L400 VanDerWaalsContact C-N 3.34Å; H398-L400 PolarHBondContact O-N 3.31Å; L400-M402 HydrophobicContact CB-CE 4.41Å; L400-M402 HydrophobicContact CD1-CE 4.09Å; L400-L442 HydrophobicContact CB-CD1 4.07Å; L400-L442 HydrophobicContact CD1-CD1 4.19Å; L400-L442 HydrophobicContact CD2-CD1 4.37Å; L400-L442 HydrophobicContact CG-CD1 4.45Å; L400-I446 HydrophobicContact CD2-CD1 4.48Å; L400-Y449 HydrophobicContact CD2-CD2 4.44Å; L400-Y449 HydrophobicContact CD2-CE2 4.38Å; L400-Y449 VanDerWaalsContact O-CE2 3.28Å; L400-Y449 WeakPolarHBondContact O-CE2 3.5Å; L400-Y449 PolarHBondContact O-OH 2.92Å; L400-L452 HydrophobicContact CD2-CD1 4.23Å
401	G	89	Confident	87.6	Confident	4 Å²	4	33.7 Å²	33.7	4%	0.041	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	109.5	20.4	175.3	0	0	0	0	0	115.1	G397 H398 V399	G397-G401 PolarHBondContact O-N 2.98Å; G397-G401 VanDerWaalsContact O-N 3.08Å; H398-G401 WeakPolarHBondContact O-CA 3.4Å; H398-G401 PolarHBondContact O-N 2.94Å; V399-G401 VanDerWaalsContact C-N 3.26Å; V399-G401 PolarHBondContact O-N 2.96Å
402	M	92.2	Very high	87.1	Confident	0 Å²	0	36 Å²	36	0%	0	20%	0.2	C	C	.	.			trans	-78.1	148.1	168	-50.7	177.9	-152	0	0	109.9	L293 G397 H398 L400 M421 W434 L442	L293-M402 HydrophobicContact CD1-CE 4.07Å; G397-M402 WeakPolarHBondContact O-CB 3.43Å; G397-M402 PolarHBondContact O-N 3.03Å; H398-M402 PolarHBondContact ND1-O 3.15Å; L400-M402 HydrophobicContact CB-CE 4.41Å; L400-M402 HydrophobicContact CD1-CE 4.09Å; M402-M421 HydrophobicContact CB-CE 4.01Å; M402-M421 HydrophobicContact CB-CG 4.15Å; M402-M421 HydrophobicContact CB-SD 4.32Å; M402-M421 HydrophobicContact SD-CG 3.99Å; M402-M421 HydrophobicContact SD-SD 4.22Å; M402-W434 HydrophobicContact CE-CE3 4.16Å; M402-W434 HydrophobicContact CE-CH2 4.19Å; M402-W434 HydrophobicContact CE-CZ3 3.75Å; M402-W434 HydrophobicContact SD-CE3 3.7Å; M402-W434 HydrophobicContact SD-CH2 4.39Å; M402-W434 HydrophobicContact SD-CZ3 3.43Å; M402-W434 WeakPolarHBondContact SD-CZ3 3.38Å; M402-L442 HydrophobicContact CE-CB 4.15Å; M402-L442 HydrophobicContact CE-CD1 4.1Å; M402-L442 HydrophobicContact CE-CD2 4.3Å; M402-L442 HydrophobicContact CE-CG 4.41Å
403	E	88.9	Confident	86.5	Confident	107 Å²	107	39.9 Å²	39.9	50%	0.5	22%	0.221	S	C	.	.			trans	-107.5	177.3	173.4	-66.1	-170.6	173.3	0	0	111	V368 E441	V368-E403 HydrophobicContact CG1-CG 4.3Å; E403-E441 PolarHBondContact N-OE2 3.12Å
404	H	89.8	Confident	85.8	Confident	51 Å²	51	40.5 Å²	40.5	24%	0.236	22%	0.224	C	C	.	.			trans	-73.9	130.8	178.7	-77	156.6	0	0	0	112.7	H394 H398 G406 Q407 M421 P423	H394-H404 AromaticContact CE1-CD2 3.59Å; H394-H404 AromaticContact CE1-NE2 3.61Å; H394-H404 AromaticContact NE2-CD2 3.62Å; H394-H404 AromaticContact NE2-NE2 3.2Å; H394-H404 PolarHBondContact NE2-NE2 2.99Å; H394-H404 VanDerWaalsContact NE2-NE2 3.2Å; H398-H404 AromaticContact CE1-CD2 3.42Å; H398-H404 PolarHBondContact CE1-CD2 3.33Å; H398-H404 VanDerWaalsContact CE1-CD2 3.42Å; H398-H404 AromaticContact CE1-NE2 3.41Å; H398-H404 PolarHBondContact CE1-NE2 3.07Å; H398-H404 AromaticContact NE2-CD2 3.58Å; H398-H404 AromaticContact NE2-NE2 3.25Å; H398-H404 PolarHBondContact NE2-NE2 2.55Å; H404-G406 PolarHBondContact O-N 2.74Å; H404-Q407 HydrophobicContact CB-CB 3.87Å; H404-Q407 HydrophobicContact CB-CG 4.19Å; H404-Q407 PolarHBondContact ND1-OE1 3.44Å; H404-Q407 PolarHBondContact O-N 3.48Å; H404-Q407 VanDerWaalsContact O-N 3.15Å; H404-M421 WeakPolarHBondContact CA-O 3.23Å; H404-P423 HydrophobicContact CB-CB 4.02Å; H404-P423 HydrophobicContact CB-CG 4.45Å
405	D	86.4	Confident	85	Confident	1 Å²	1	41.9 Å²	41.9	1%	0.005	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	132.4	174.1	-74.9	-46.7	0	0	0	112.2	Q407 C411 T415 S419 M421 P423 S435	D405-Q407 PolarHBondContact O-N 3.33Å; D405-Q407 VanDerWaalsContact O-N 3.16Å; D405-C411 HydrophobicContact CB-CB 4.45Å; D405-C411 WeakPolarHBondContact OD1-CB 3.24Å; D405-T415 VanDerWaalsContact C-CG2 3.47Å; D405-T415 HydrophobicContact CB-CG2 3.51Å; D405-T415 WeakPolarHBondContact O-CG2 3.45Å; D405-S419 WeakPolarHBondContact OD2-CB 3.45Å; D405-S419 PolarHBondContact OD2-OG 2.89Å; D405-M421 PolarHBondContact N-O 2.68Å; D405-P423 VanDerWaalsContact O-CD 3.24Å; D405-P423 WeakPolarHBondContact O-CD 3.48Å; D405-S435 WeakPolarHBondContact OD1-CB 3.3Å; D405-S435 PolarHBondContact OD1-OG 2.73Å; D405-S435 VanDerWaalsContact OD2-CB 3.29Å; D405-S435 WeakPolarHBondContact OD2-CB 3.5Å; D405-S435 PolarHBondContact OD2-OG 2.62Å; D405-S435 VanDerWaalsContact OD2-OG 3.1Å
406	G	78.6	Confident	83.5	Confident	31 Å²	31	44.8 Å²	44.8	32%	0.32	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.5	-7	-178.5	0	0	0	0	0	115.6	H404 G408 N409	H404-G406 PolarHBondContact O-N 2.74Å; G406-G408 VanDerWaalsContact C-N 3.35Å; G406-G408 PolarHBondContact O-N 3.46Å; G406-N409 PolarHBondContact N-OD1 3.33Å
407	Q	74.3	Confident	81.9	Confident	118 Å²	118	48.8 Å²	48.8	55%	0.551	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	58.3	175.9	-70.3	-172.5	-9.5	0	0	111.8	H404 D405 P423	H404-Q407 HydrophobicContact CB-CB 3.87Å; H404-Q407 HydrophobicContact CB-CG 4.19Å; H404-Q407 PolarHBondContact ND1-OE1 3.44Å; H404-Q407 PolarHBondContact O-N 3.48Å; H404-Q407 VanDerWaalsContact O-N 3.15Å; D405-Q407 PolarHBondContact O-N 3.33Å; D405-Q407 VanDerWaalsContact O-N 3.16Å; Q407-P423 HydrophobicContact CG-CB 4.24Å; Q407-P423 HydrophobicContact CG-CG 4.01Å; Q407-P423 VanDerWaalsContact NE2-CB 3.26Å
408	G	68.3	Low	80.7	Confident	79 Å²	79	49.1 Å²	49.1	81%	0.814	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	116.3	-25.6	177.6	0	0	0	0	0	113.7	G406	G406-G408 VanDerWaalsContact C-N 3.35Å; G406-G408 PolarHBondContact O-N 3.46Å
409	N	82.9	Confident	80.3	Confident	31 Å²	31	48.7 Å²	48.7	17%	0.166	28%	0.277	C	S	.	.	S	Bend	trans	-90	176	167.6	75.3	26.3	0	0	0	111.7	G406 C411 C437 E441	G406-N409 PolarHBondContact N-OD1 3.33Å; N409-C411 PolarHBondContact OD1-N 3.15Å; N409-C437 HydrophobicContact CB-CB 4.22Å; N409-C437 VanDerWaalsContact CG-SG 3.51Å; N409-C437 VanDerWaalsContact ND2-CB 3.25Å; N409-C437 WeakPolarHBondContact ND2-CB 3.47Å; N409-E441 PolarHBondContact ND2-OE1 2.86Å
410	R	83.3	Confident	79.9	Confident	227 Å²	227	49.4 Å²	49.4	86%	0.857	28%	0.281	S	S	*	.	S	Bend	trans	-87.6	-9.6	-172.5	-70.5	-176.1	179.6	168.8	1.1	114.9	A412	R410-A412 PolarHBondContact O-N 3.25Å
411	C	85.8	Confident	79.7	Confident	8 Å²	8	49.4 Å²	49.4	5%	0.054	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	34.2	-170.5	-59.8	0	0	0	0	113.8	D405 N409 D413 E414 T415 C437	D405-C411 HydrophobicContact CB-CB 4.45Å; D405-C411 WeakPolarHBondContact OD1-CB 3.24Å; N409-C411 PolarHBondContact OD1-N 3.15Å; C411-D413 VanDerWaalsContact C-N 3.26Å; C411-D413 PolarHBondContact O-N 3.26Å; C411-E414 HydrophobicContact CB-CB 4.26Å; C411-E414 HydrophobicContact CB-CG 4.12Å; C411-E414 PolarHBondContact O-N 2.66Å; C411-E414 VanDerWaalsContact O-N 3.11Å; C411-T415 PolarHBondContact O-N 2.75Å; C411-C437 HydrophobicContact CB-CB 3.88Å; C411-C437 WeakPolarHBondContact CB-SG 3.36Å; C411-C437 PolarHBondContact N-SG 3.38Å; C411-C437 VanDerWaalsContact N-SG 3.4Å; C411-C437 WeakPolarHBondContact SG-CB 3.27Å; C411-C437 PolarHBondContact SG-N 2.9Å; C411-C437 CovalentContact SG-SG 2.04Å; C411-C437 PolarHBondContact SG-SG 3.32Å
412	A	77.6	Confident	79.5	Confident	54 Å²	54	49.3 Å²	49.3	45%	0.446	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-29.8	179.5	0	0	0	0	0	112.4	R410 T415	R410-A412 PolarHBondContact O-N 3.25Å; A412-T415 PolarHBondContact O-OG1 2.75Å
413	D	77.4	Confident	78.7	Confident	82 Å²	82	51.1 Å²	51.1	44%	0.439	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-43.4	170	58.2	-33.3	0	0	0	111.6	C411 T415 S416 R436	C411-D413 VanDerWaalsContact C-N 3.26Å; C411-D413 PolarHBondContact O-N 3.26Å; D413-T415 VanDerWaalsContact C-N 3.28Å; D413-T415 PolarHBondContact O-N 3.49Å; D413-S416 WeakPolarHBondContact O-CB 3.47Å; D413-S416 PolarHBondContact O-N 2.98Å; D413-S416 PolarHBondContact O-OG 3.05Å; D413-R436 IonicContact OD2-NH2 2.81Å
414	E	76.9	Confident	77.7	Confident	12 Å²	12	51.1 Å²	51.1	6%	0.056	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-23.2	-178.2	-44.1	-156.2	128.1	0	0	112.8	C411 S416 M417 G418 S419 S435 R436	C411-E414 HydrophobicContact CB-CB 4.26Å; C411-E414 HydrophobicContact CB-CG 4.12Å; C411-E414 PolarHBondContact O-N 2.66Å; C411-E414 VanDerWaalsContact O-N 3.11Å; E414-S416 PolarHBondContact O-N 2.68Å; E414-M417 HydrophobicContact CB-CE 4.13Å; E414-M417 HydrophobicContact CG-CE 3.81Å; E414-M417 PolarHBondContact O-N 3.13Å; E414-G418 PolarHBondContact O-N 3.05Å; E414-S419 PolarHBondContact O-N 3.47Å; E414-S435 VanDerWaalsContact OE2-CA 3.28Å; E414-S435 WeakPolarHBondContact OE2-CA 3.29Å; E414-S435 WeakPolarHBondContact OE2-CB 3.26Å; E414-R436 IonicContact OE1-CZ 2.74Å; E414-R436 IonicContact OE1-NE 2.99Å; E414-R436 PolarHBondContact OE1-NE 3.26Å; E414-R436 IonicContact OE1-NH2 3.56Å; E414-R436 PolarHBondContact OE1-NH2 3.13Å; E414-R436 PolarHBondContact OE2-N 2.95Å; E414-R436 IonicContact OE2-NE 3.13Å
415	T	70.9	Confident	76	Confident	41 Å²	41	51.2 Å²	51.2	25%	0.252	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-30.3	168.4	73.7	0	0	0	0	112.9	D405 C411 A412 D413 A427	D405-T415 VanDerWaalsContact C-CG2 3.47Å; D405-T415 HydrophobicContact CB-CG2 3.51Å; D405-T415 WeakPolarHBondContact O-CG2 3.45Å; C411-T415 PolarHBondContact O-N 2.75Å; A412-T415 PolarHBondContact O-OG1 2.75Å; D413-T415 VanDerWaalsContact C-N 3.28Å; D413-T415 PolarHBondContact O-N 3.49Å; T415-A427 WeakPolarHBondContact O-CA 3Å; T415-A427 WeakPolarHBondContact O-CB 3.07Å
416	S	62.6	Low	74.1	Confident	78 Å²	78	56.7 Å²	56.7	55%	0.545	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-26	176.7	75.2	0	0	0	0	112	D413 E414 A428	D413-S416 WeakPolarHBondContact O-CB 3.47Å; D413-S416 PolarHBondContact O-N 2.98Å; D413-S416 PolarHBondContact O-OG 3.05Å; E414-S416 PolarHBondContact O-N 2.68Å; S416-A428 WeakPolarHBondContact O-CB 3.37Å; S416-A428 PolarHBondContact O-N 2.93Å
417	M	62.7	Low	71.9	Confident	87 Å²	87	56.2 Å²	56.2	43%	0.429	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	0.1	-169.4	-61.7	-166.5	-69.1	0	0	114.7	E414 H433	E414-M417 HydrophobicContact CB-CE 4.13Å; E414-M417 HydrophobicContact CG-CE 3.81Å; E414-M417 PolarHBondContact O-N 3.13Å; M417-H433 PolarHBondContact O-CE1 3.4Å
418	G	66.2	Low	70.1	Confident	7 Å²	7	52 Å²	52	7%	0.072	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	106.1	20.7	177.3	0	0	0	0	0	115.9	E414 A427 R431 Y432 H433	E414-G418 PolarHBondContact O-N 3.05Å; G418-A427 VanDerWaalsContact CA-CB 3.48Å; G418-R431 WeakPolarHBondContact CA-O 3.23Å; G418-Y432 WeakPolarHBondContact O-CA 3.33Å; G418-H433 PolarHBondContact O-N 2.98Å
419	S	83.1	Confident	68.8	Low	5 Å²	5	52.8 Å²	52.8	4%	0.035	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-59.8	139.5	178.3	-175.1	0	0	0	0	112.7	D405 E414 M421 A422 H433 S435	D405-S419 WeakPolarHBondContact OD2-CB 3.45Å; D405-S419 PolarHBondContact OD2-OG 2.89Å; E414-S419 PolarHBondContact O-N 3.47Å; S419-M421 PolarHBondContact O-N 2.6Å; S419-A422 WeakPolarHBondContact O-CB 3.33Å; S419-A422 PolarHBondContact O-N 2.74Å; S419-H433 CarbonylContact C-O 3.49Å; S419-H433 VanDerWaalsContact CA-O 3.29Å; S419-H433 WeakPolarHBondContact CA-O 3.33Å; S419-S435 WeakPolarHBondContact OG-CB 3.36Å; S419-S435 PolarHBondContact OG-N 3.49Å
420	I	87.1	Confident	66.8	Low	15 Å²	15	55.8 Å²	55.8	8%	0.077	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-39.7	178.2	-68.2	155.1	0	0	0	111.4	I287 A393 H394 A422 Y432 H433 W434	I287-I420 HydrophobicContact CG2-CD1 3.56Å; I287-I420 HydrophobicContact CG2-CG1 4.4Å; A393-I420 HydrophobicContact CB-CG2 4.43Å; H394-I420 HydrophobicContact CB-CG2 4.47Å; H394-I420 PolarHBondContact ND1-O 2.93Å; I420-A422 PolarHBondContact O-N 2.92Å; I420-Y432 HydrophobicContact CD1-CD2 4.17Å; I420-H433 WeakPolarHBondContact CD1-O 3.45Å; I420-H433 WeakPolarHBondContact CG1-O 3.42Å; I420-H433 PolarHBondContact N-O 2.88Å; I420-W434 HydrophobicContact CB-CD2 4.31Å; I420-W434 HydrophobicContact CB-CE3 4.07Å; I420-W434 HydrophobicContact CB-CZ3 4.21Å; I420-W434 HydrophobicContact CD1-CD2 3.59Å; I420-W434 VanDerWaalsContact CD1-CE2 3.44Å; I420-W434 HydrophobicContact CD1-CE3 4.2Å; I420-W434 HydrophobicContact CD1-CG 3.81Å; I420-W434 HydrophobicContact CD1-CZ2 3.99Å; I420-W434 HydrophobicContact CG2-CE3 4.1Å; I420-W434 HydrophobicContact CG2-CH2 3.86Å; I420-W434 HydrophobicContact CG2-CZ2 4.33Å; I420-W434 HydrophobicContact CG2-CZ3 3.72Å
421	M	89.7	Confident	65.4	Low	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	15.1	178.9	-62	-53.5	-60	0	0	113.6	M402 H404 D405 S419 W434 S438	M402-M421 HydrophobicContact CB-CE 4.01Å; M402-M421 HydrophobicContact CB-CG 4.15Å; M402-M421 HydrophobicContact CB-SD 4.32Å; M402-M421 HydrophobicContact SD-CG 3.99Å; M402-M421 HydrophobicContact SD-SD 4.22Å; H404-M421 WeakPolarHBondContact CA-O 3.23Å; D405-M421 PolarHBondContact N-O 2.68Å; S419-M421 PolarHBondContact O-N 2.6Å; M421-W434 HydrophobicContact CG-CE3 4.17Å; M421-W434 HydrophobicContact CG-CZ3 4.02Å; M421-W434 HydrophobicContact SD-CZ3 3.94Å; M421-S438 VanDerWaalsContact CG-OG 3.26Å; M421-S438 WeakPolarHBondContact CG-OG 3.5Å
422	A	84.5	Confident	64.7	Low	2 Å²	2	50.9 Å²	50.9	2%	0.017	28%	0.277	C	S	.	.			trans	-63.8	131.1	173.3	0	0	0	0	0	111.2	H394 S419 I420 L424 A427	H394-A422 PolarHBondContact CE1-O 2.96Å; S419-A422 WeakPolarHBondContact O-CB 3.33Å; S419-A422 PolarHBondContact O-N 2.74Å; I420-A422 PolarHBondContact O-N 2.92Å; A422-L424 CarbonylContact O-C 3.49Å; A422-L424 PolarHBondContact O-N 2.82Å; A422-A427 HydrophobicContact CB-CB 3.87Å
423	P	76.8	Confident	64.7	Low	38 Å²	38	50.1 Å²	50.1	25%	0.247	26%	0.264	C	S	.	.	S	Bend	trans	-66.6	-9.6	-175.1	26.4	-37.1	0	0	0	114.8	H404 D405 Q407	H404-P423 HydrophobicContact CB-CB 4.02Å; H404-P423 HydrophobicContact CB-CG 4.45Å; D405-P423 VanDerWaalsContact O-CD 3.24Å; D405-P423 WeakPolarHBondContact O-CD 3.48Å; Q407-P423 HydrophobicContact CG-CB 4.24Å; Q407-P423 HydrophobicContact CG-CG 4.01Å; Q407-P423 VanDerWaalsContact NE2-CB 3.26Å
424	L	66.6	Low	65.2	Low	106 Å²	106	46.4 Å²	46.4	56%	0.555	24%	0.243	S	C	*	.	S	Bend	trans	-127.2	131.9	161.5	-72.1	87.5	0	0	0	107.8	A422 Q426	A422-L424 CarbonylContact O-C 3.49Å; A422-L424 PolarHBondContact O-N 2.82Å; L424-Q426 PolarHBondContact O-N 2.8Å
425	V	54.9	Low	65.8	Low	54 Å²	54	45.9 Å²	45.9	33%	0.327	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	44.5	175.5	-160.4	0	0	0	0	111.4
426	Q	45.9	Very low	66.7	Low	115 Å²	115	51.6 Å²	51.6	54%	0.537	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.8	7.9	178.9	-60.3	-174.2	-96.4	0	0	112	L424 F429	L424-Q426 PolarHBondContact O-N 2.8Å; Q426-F429 HydrophobicContact CB-CE2 4.35Å; Q426-F429 HydrophobicContact CB-CZ 4.14Å; Q426-F429 HydrophobicContact CG-CZ 4.31Å
427	A	32.1	Very low	68	Low	21 Å²	21	48.3 Å²	48.3	17%	0.174	24%	0.235	C	C	.	.	S	Bend	trans	-50.4	149	161.2	0	0	0	0	0	110.9	T415 G418 A422 F429	T415-A427 WeakPolarHBondContact O-CA 3Å; T415-A427 WeakPolarHBondContact O-CB 3.07Å; G418-A427 VanDerWaalsContact CA-CB 3.48Å; A422-A427 HydrophobicContact CB-CB 3.87Å; A427-F429 PolarHBondContact O-N 2.99Å
428	A	36.1	Very low	69.3	Low	29 Å²	29	44.2 Å²	44.2	24%	0.24	22%	0.215	C	C	.	.			trans	-50.4	124.7	-155.7	0	0	0	0	0	116.6	S416 H430	S416-A428 WeakPolarHBondContact O-CB 3.37Å; S416-A428 PolarHBondContact O-N 2.93Å; A428-H430 PolarHBondContact O-N 2.85Å
429	F	41.4	Very low	70.5	Confident	97 Å²	97	47.3 Å²	47.3	43%	0.425	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	42.9	-171.5	-64.6	-93.4	0	0	0	116.8	Q426 A427	Q426-F429 HydrophobicContact CB-CE2 4.35Å; Q426-F429 HydrophobicContact CB-CZ 4.14Å; Q426-F429 HydrophobicContact CG-CZ 4.31Å; A427-F429 PolarHBondContact O-N 2.99Å
430	H	40.8	Very low	70.7	Confident	94 Å²	94	52.3 Å²	52.3	44%	0.435	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-148.2	-15.4	176.5	62.3	-54.7	0	0	0	116	G174 A428	G174-H430 WeakPolarHBondContact CA-O 3.5Å; A428-H430 PolarHBondContact O-N 2.85Å
431	R	55.4	Low	70.8	Confident	120 Å²	120	53 Å²	53	45%	0.453	25%	0.252	S	S	.	.			trans	-149.4	131.5	177.5	-60.4	-176	179.9	-177.9	-4.5	109.9	D172 E175 G418	D172-R431 PolarHBondContact O-NH2 2.92Å; E175-R431 PolarHBondContact OE1-N 2.93Å; G418-R431 WeakPolarHBondContact CA-O 3.23Å
432	Y	69.6	Low	70.8	Confident	12 Å²	12	53 Å²	53	5%	0.047	25%	0.252	C	S	.	.			trans	-99.9	149.2	166	67.7	-96.6	0	0	0	111.2	L168 R170 E175 I287 F390 G418 I420	L168-Y432 HydrophobicContact CD2-CE1 4.19Å; R170-Y432 HydrophobicContact CG-CE1 4.35Å; E175-Y432 HydrophobicContact CG-CD1 4.34Å; E175-Y432 PolarHBondContact OE1-N 3.39Å; I287-Y432 HydrophobicContact CG1-CE2 4.02Å; F390-Y432 AromaticContact CE1-CD1 3.5Å; F390-Y432 HydrophobicContact CE1-CD1 3.5Å; F390-Y432 HydrophobicContact CE1-CD2 4.11Å; F390-Y432 HydrophobicContact CE1-CE1 4.01Å; F390-Y432 AromaticContact CE1-CG 3.54Å; F390-Y432 HydrophobicContact CE1-CG 3.54Å; F390-Y432 AromaticContact CZ-CD1 3.61Å; F390-Y432 HydrophobicContact CZ-CD1 3.61Å; F390-Y432 AromaticContact CZ-CE1 3.92Å; F390-Y432 HydrophobicContact CZ-CE1 3.92Å; F390-Y432 HydrophobicContact CZ-CG 4.16Å; G418-Y432 WeakPolarHBondContact O-CA 3.33Å; I420-Y432 HydrophobicContact CD1-CD2 4.17Å
433	H	78.2	Confident	70.8	Confident	38 Å²	38	56.1 Å²	56.1	18%	0.176	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-158.5	167.6	171.4	62.7	-72	0	0	0	110.1	M417 G418 S419 I420	M417-H433 PolarHBondContact O-CE1 3.4Å; G418-H433 PolarHBondContact O-N 2.98Å; S419-H433 CarbonylContact C-O 3.49Å; S419-H433 VanDerWaalsContact CA-O 3.29Å; S419-H433 WeakPolarHBondContact CA-O 3.33Å; I420-H433 WeakPolarHBondContact CD1-O 3.45Å; I420-H433 WeakPolarHBondContact CG1-O 3.42Å; I420-H433 PolarHBondContact N-O 2.88Å
434	W	88.3	Confident	71.2	Confident	4 Å²	4	63 Å²	63	2%	0.015	29%	0.289	C	S	.	.			trans	-91.8	136	166.3	-61.1	92.7	0	0	0	109.7	I287 Y288 S292 L293 A393 M402 I420 M421	I287-W434 HydrophobicContact CG2-CZ2 3.92Å; I287-W434 PolarHBondContact O-NE1 2.03Å; Y288-W434 HydrophobicContact CD1-CH2 4.36Å; Y288-W434 AromaticContact CD1-CZ2 3.8Å; Y288-W434 HydrophobicContact CD1-CZ2 3.8Å; Y288-W434 AromaticContact CE1-CH2 3.67Å; Y288-W434 HydrophobicContact CE1-CH2 3.67Å; Y288-W434 AromaticContact CE1-CZ2 3.58Å; Y288-W434 HydrophobicContact CE1-CZ2 3.58Å; Y288-W434 HydrophobicContact CE2-CZ2 4.43Å; Y288-W434 HydrophobicContact CG-CZ2 4.31Å; Y288-W434 AromaticContact CZ-CH2 3.77Å; Y288-W434 AromaticContact CZ-CZ2 3.92Å; S292-W434 PolarHBondContact OG-N 3.18Å; L293-W434 HydrophobicContact CB-CB 4.33Å; L293-W434 HydrophobicContact CB-CG 3.95Å; L293-W434 HydrophobicContact CD1-CB 4.06Å; L293-W434 HydrophobicContact CD1-CD2 3.78Å; L293-W434 HydrophobicContact CD1-CE3 4.19Å; L293-W434 HydrophobicContact CD1-CG 3.74Å; L293-W434 HydrophobicContact CG-CG 4.34Å; A393-W434 HydrophobicContact CB-CH2 4.5Å; M402-W434 HydrophobicContact CE-CE3 4.16Å; M402-W434 HydrophobicContact CE-CH2 4.19Å; M402-W434 HydrophobicContact CE-CZ3 3.75Å; M402-W434 HydrophobicContact SD-CE3 3.7Å; M402-W434 HydrophobicContact SD-CH2 4.39Å; M402-W434 HydrophobicContact SD-CZ3 3.43Å; M402-W434 WeakPolarHBondContact SD-CZ3 3.38Å; I420-W434 HydrophobicContact CB-CD2 4.31Å; I420-W434 HydrophobicContact CB-CE3 4.07Å; I420-W434 HydrophobicContact CB-CZ3 4.21Å; I420-W434 HydrophobicContact CD1-CD2 3.59Å; I420-W434 VanDerWaalsContact CD1-CE2 3.44Å; I420-W434 HydrophobicContact CD1-CE3 4.2Å; I420-W434 HydrophobicContact CD1-CG 3.81Å; I420-W434 HydrophobicContact CD1-CZ2 3.99Å; I420-W434 HydrophobicContact CG2-CE3 4.1Å; I420-W434 HydrophobicContact CG2-CH2 3.86Å; I420-W434 HydrophobicContact CG2-CZ2 4.33Å; I420-W434 HydrophobicContact CG2-CZ3 3.72Å; M421-W434 HydrophobicContact CG-CE3 4.17Å; M421-W434 HydrophobicContact CG-CZ3 4.02Å; M421-W434 HydrophobicContact SD-CZ3 3.94Å
435	S	89.3	Confident	72	Confident	1 Å²	1	61.6 Å²	61.6	1%	0.007	28%	0.277	C	S	.	.			trans	-69.2	162.6	179.6	69.4	0	0	0	0	113	D405 E414 S419 C437 S438 K439	D405-S435 WeakPolarHBondContact OD1-CB 3.3Å; D405-S435 PolarHBondContact OD1-OG 2.73Å; D405-S435 VanDerWaalsContact OD2-CB 3.29Å; D405-S435 WeakPolarHBondContact OD2-CB 3.5Å; D405-S435 PolarHBondContact OD2-OG 2.62Å; D405-S435 VanDerWaalsContact OD2-OG 3.1Å; E414-S435 VanDerWaalsContact OE2-CA 3.28Å; E414-S435 WeakPolarHBondContact OE2-CA 3.29Å; E414-S435 WeakPolarHBondContact OE2-CB 3.26Å; S419-S435 WeakPolarHBondContact OG-CB 3.36Å; S419-S435 PolarHBondContact OG-N 3.49Å; S435-C437 PolarHBondContact O-N 3.13Å; S435-C437 PolarHBondContact OG-N 3.18Å; S435-S438 WeakPolarHBondContact O-CB 3.35Å; S435-S438 PolarHBondContact O-N 3.16Å; S435-S438 WeakPolarHBondContact OG-CB 3.38Å; S435-S438 PolarHBondContact OG-N 3.49Å; S435-S438 PolarHBondContact OG-OG 2.91Å; S435-K439 WeakPolarHBondContact O-CB 3.36Å; S435-K439 PolarHBondContact O-N 3.37Å
436	R	88.8	Confident	73.4	Confident	160 Å²	160	59 Å²	59	60%	0.604	26%	0.262	S	S	*	.	H	α-helix	trans	-58.3	-30	169.3	-75.5	174.8	-84.7	166.1	0.4	111.9	D413 E414 Q440	D413-R436 IonicContact OD2-NH2 2.81Å; E414-R436 IonicContact OE1-CZ 2.74Å; E414-R436 IonicContact OE1-NE 2.99Å; E414-R436 PolarHBondContact OE1-NE 3.26Å; E414-R436 IonicContact OE1-NH2 3.56Å; E414-R436 PolarHBondContact OE1-NH2 3.13Å; E414-R436 PolarHBondContact OE2-N 2.95Å; E414-R436 IonicContact OE2-NE 3.13Å; R436-Q440 PolarHBondContact O-N 3.19Å
437	C	90.3	Very high	75.1	Confident	10 Å²	10	60 Å²	60	7%	0.068	27%	0.266	C	S	.	.	H	α-helix	trans	-73.9	-50.4	175.6	-61.3	0	0	0	0	111.3	N409 C411 S435 K439 Q440 E441	N409-C437 HydrophobicContact CB-CB 4.22Å; N409-C437 VanDerWaalsContact CG-SG 3.51Å; N409-C437 VanDerWaalsContact ND2-CB 3.25Å; N409-C437 WeakPolarHBondContact ND2-CB 3.47Å; C411-C437 HydrophobicContact CB-CB 3.88Å; C411-C437 WeakPolarHBondContact CB-SG 3.36Å; C411-C437 PolarHBondContact N-SG 3.38Å; C411-C437 VanDerWaalsContact N-SG 3.4Å; C411-C437 WeakPolarHBondContact SG-CB 3.27Å; C411-C437 PolarHBondContact SG-N 2.9Å; C411-C437 CovalentContact SG-SG 2.04Å; C411-C437 PolarHBondContact SG-SG 3.32Å; S435-C437 PolarHBondContact O-N 3.13Å; S435-C437 PolarHBondContact OG-N 3.18Å; C437-K439 PolarHBondContact O-N 3.16Å; C437-Q440 PolarHBondContact O-N 3.09Å; C437-E441 WeakPolarHBondContact O-CB 3.45Å; C437-E441 VanDerWaalsContact O-CG 3.29Å; C437-E441 WeakPolarHBondContact O-CG 3.27Å; C437-E441 PolarHBondContact O-N 3.37Å
438	S	91	Very high	77.4	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-50.2	-43.7	174.5	-57.4	0	0	0	0	111.5	M421 S435 L442	M421-S438 VanDerWaalsContact CG-OG 3.26Å; M421-S438 WeakPolarHBondContact CG-OG 3.5Å; S435-S438 WeakPolarHBondContact O-CB 3.35Å; S435-S438 PolarHBondContact O-N 3.16Å; S435-S438 WeakPolarHBondContact OG-CB 3.38Å; S435-S438 PolarHBondContact OG-N 3.49Å; S435-S438 PolarHBondContact OG-OG 2.91Å; S438-L442 VanDerWaalsContact O-CB 3.32Å; S438-L442 WeakPolarHBondContact O-CB 3.02Å; S438-L442 PolarHBondContact O-N 2.76Å
439	K	89.8	Confident	79.7	Confident	72 Å²	72	62.2 Å²	62.2	31%	0.313	28%	0.275	S	S	.	.	H	α-helix	trans	-64	-44.1	175.6	178.9	171.9	-147.2	143.6	0	113.5	S292 L293 S435 C437 N443	S292-K439 WeakPolarHBondContact O-CD 3.46Å; S292-K439 PolarHBondContact O-NZ 3.43Å; L293-K439 WeakPolarHBondContact O-CE 3.49Å; L293-K439 WeakPolarHBondContact O-CG 3.23Å; S435-K439 WeakPolarHBondContact O-CB 3.36Å; S435-K439 PolarHBondContact O-N 3.37Å; C437-K439 PolarHBondContact O-N 3.16Å; K439-N443 WeakPolarHBondContact O-CB 3.45Å; K439-N443 PolarHBondContact O-N 3.43Å; K439-N443 VanDerWaalsContact O-N 3.15Å; K439-N443 PolarHBondContact O-ND2 3.36Å
440	Q	87.3	Confident	81.5	Confident	110 Å²	110	63.9 Å²	63.9	51%	0.514	29%	0.289	S	S	.	.	H	α-helix	trans	-69.2	-39.3	178.6	-169.3	175.1	13.7	0	0	111.4	E234 R436 C437 N443 R444	E234-Q440 PolarHBondContact OE1-NE2 3.4Å; R436-Q440 PolarHBondContact O-N 3.19Å; C437-Q440 PolarHBondContact O-N 3.09Å; Q440-N443 PolarHBondContact O-N 3.27Å; Q440-R444 PolarHBondContact O-N 2.02Å
441	E	89.9	Confident	83.7	Confident	31 Å²	31	60.3 Å²	60.3	15%	0.145	27%	0.274	C	S	.	.	H	α-helix	trans	-69.6	-41	178.8	-67.8	159.8	-164	0	0	111.5	E403 N409 C437 R444 Y445	E403-E441 PolarHBondContact N-OE2 3.12Å; N409-E441 PolarHBondContact ND2-OE1 2.86Å; C437-E441 WeakPolarHBondContact O-CB 3.45Å; C437-E441 VanDerWaalsContact O-CG 3.29Å; C437-E441 WeakPolarHBondContact O-CG 3.27Å; C437-E441 PolarHBondContact O-N 3.37Å; E441-R444 WeakPolarHBondContact O-CB 3.25Å; E441-R444 PolarHBondContact O-N 3.15Å; E441-Y445 VanDerWaalsContact O-CD2 3.3Å; E441-Y445 WeakPolarHBondContact O-CD2 3.39Å
442	L	90.3	Very high	85.2	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-59.6	-51.4	170.7	179.6	63.4	0	0	0	111.7	L293 I297 L400 M402 S438 R444 Y445 I446	L293-L442 HydrophobicContact CD1-CD2 3.56Å; L293-L442 HydrophobicContact CD2-CD2 3.99Å; L293-L442 HydrophobicContact CG-CD2 3.7Å; I297-L442 HydrophobicContact CD1-CD1 4.33Å; I297-L442 HydrophobicContact CD1-CD2 4Å; L400-L442 HydrophobicContact CB-CD1 4.07Å; L400-L442 HydrophobicContact CD1-CD1 4.19Å; L400-L442 HydrophobicContact CD2-CD1 4.37Å; L400-L442 HydrophobicContact CG-CD1 4.45Å; M402-L442 HydrophobicContact CE-CB 4.15Å; M402-L442 HydrophobicContact CE-CD1 4.1Å; M402-L442 HydrophobicContact CE-CD2 4.3Å; M402-L442 HydrophobicContact CE-CG 4.41Å; S438-L442 VanDerWaalsContact O-CB 3.32Å; S438-L442 WeakPolarHBondContact O-CB 3.02Å; S438-L442 PolarHBondContact O-N 2.76Å; L442-R444 PolarHBondContact O-N 2.87Å; L442-R444 VanDerWaalsContact O-N 3.11Å; L442-Y445 PolarHBondContact O-N 2.8Å; L442-I446 HydrophobicContact CD1-CB 4.05Å; L442-I446 HydrophobicContact CD1-CD1 4.14Å; L442-I446 HydrophobicContact CD1-CG1 4.4Å; L442-I446 HydrophobicContact CG-CB 4.25Å; L442-I446 WeakPolarHBondContact O-CB 3.34Å; L442-I446 WeakPolarHBondContact O-CG2 3.31Å; L442-I446 PolarHBondContact O-N 2.93Å
443	N	85.1	Confident	85.7	Confident	66 Å²	66	58.1 Å²	58.1	35%	0.353	27%	0.272	S	S	.	.	H	α-helix	trans	-62.1	-21.7	-177.7	-82.8	-76.2	0	0	0	113.2	K439 Q440	K439-N443 WeakPolarHBondContact O-CB 3.45Å; K439-N443 PolarHBondContact O-N 3.43Å; K439-N443 VanDerWaalsContact O-N 3.15Å; K439-N443 PolarHBondContact O-ND2 3.36Å; Q440-N443 PolarHBondContact O-N 3.27Å
444	R	85.2	Confident	85.4	Confident	183 Å²	183	60.2 Å²	60.2	69%	0.691	28%	0.284	S	S	*	.	H	α-helix	trans	-70.8	-30.6	173.6	-175.9	-175.5	-179.8	86.8	1.5	113.5	Q440 E441 L442	Q440-R444 PolarHBondContact O-N 2.02Å; E441-R444 WeakPolarHBondContact O-CB 3.25Å; E441-R444 PolarHBondContact O-N 3.15Å; L442-R444 PolarHBondContact O-N 2.87Å; L442-R444 VanDerWaalsContact O-N 3.11Å
445	Y	81.8	Confident	84.4	Confident	76 Å²	76	62 Å²	62	30%	0.298	30%	0.295	S	S	.	.	H	α-helix	trans	-117	-24.9	-172.2	-63.3	-64	0	0	0	114.6	T369 E441 L442 H447 S448 Y449	T369-Y445 HydrophobicContact CG2-CE2 4.44Å; E441-Y445 VanDerWaalsContact O-CD2 3.3Å; E441-Y445 WeakPolarHBondContact O-CD2 3.39Å; L442-Y445 PolarHBondContact O-N 2.8Å; Y445-H447 VanDerWaalsContact C-N 3.29Å; Y445-H447 PolarHBondContact O-N 3.34Å; Y445-S448 WeakPolarHBondContact O-CB 3.22Å; Y445-S448 PolarHBondContact O-N 3.15Å; Y445-S448 PolarHBondContact O-OG 2.89Å; Y445-Y449 WeakPolarHBondContact O-CD2 3.09Å
446	I	86	Confident	83	Confident	1 Å²	1	62.7 Å²	62.7	1%	0.005	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-56.9	-39.3	-174.5	-168.5	61.5	0	0	0	113	Y252 T295 I297 L400 L442 S448 Y449 L452	Y252-I446 HydrophobicContact CD1-CD1 3.96Å; Y252-I446 HydrophobicContact CD1-CG1 3.94Å; Y252-I446 HydrophobicContact CD2-CD1 4.42Å; Y252-I446 HydrophobicContact CD2-CG1 4.08Å; Y252-I446 HydrophobicContact CE1-CD1 4.16Å; Y252-I446 HydrophobicContact CE1-CG1 3.65Å; Y252-I446 HydrophobicContact CE2-CG1 3.82Å; Y252-I446 HydrophobicContact CG-CD1 4.1Å; Y252-I446 HydrophobicContact CG-CG1 4.15Å; T295-I446 HydrophobicContact CG2-CG1 4.46Å; I297-I446 HydrophobicContact CD1-CD1 4.37Å; L400-I446 HydrophobicContact CD2-CD1 4.48Å; L442-I446 HydrophobicContact CD1-CB 4.05Å; L442-I446 HydrophobicContact CD1-CD1 4.14Å; L442-I446 HydrophobicContact CD1-CG1 4.4Å; L442-I446 HydrophobicContact CG-CB 4.25Å; L442-I446 WeakPolarHBondContact O-CB 3.34Å; L442-I446 WeakPolarHBondContact O-CG2 3.31Å; L442-I446 PolarHBondContact O-N 2.93Å; I446-S448 PolarHBondContact O-N 3.05Å; I446-Y449 PolarHBondContact O-N 3.2Å; I446-L452 HydrophobicContact CD1-CD1 3.82Å
447	H	80.4	Confident	81.5	Confident	134 Å²	134	57.6 Å²	57.6	62%	0.62	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-72.4	-1.5	176.1	-61.1	-34.5	0	0	0	114.8	Y252 Y445	Y252-H447 PolarHBondContact OH-CE1 2.78Å; Y252-H447 PolarHBondContact OH-ND1 3.28Å; Y445-H447 VanDerWaalsContact C-N 3.29Å; Y445-H447 PolarHBondContact O-N 3.34Å
448	S	80.8	Confident	79.5	Confident	76 Å²	76	60.8 Å²	60.8	53%	0.531	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-101.8	-5.4	175	72.5	0	0	0	0	113.8	Y445 I446 D450	Y445-S448 WeakPolarHBondContact O-CB 3.22Å; Y445-S448 PolarHBondContact O-N 3.15Å; Y445-S448 PolarHBondContact O-OG 2.89Å; I446-S448 PolarHBondContact O-N 3.05Å; S448-D450 PolarHBondContact O-N 3.37Å
449	Y	84.6	Confident	77.1	Confident	21 Å²	21	67 Å²	67	8%	0.082	32%	0.324	C	S	.	.			trans	-99.4	78.2	179.8	-59.2	-49.6	0	0	0	110.4	M371 L400 Y445 I446 C451 L452	M371-Y449 HydrophobicContact CB-CD1 3.85Å; M371-Y449 HydrophobicContact CB-CD2 4.02Å; M371-Y449 HydrophobicContact CB-CE1 3.77Å; M371-Y449 HydrophobicContact CB-CE2 3.95Å; M371-Y449 HydrophobicContact CB-CG 3.98Å; M371-Y449 HydrophobicContact CG-CD2 4.41Å; M371-Y449 HydrophobicContact CG-CG 4.33Å; L400-Y449 HydrophobicContact CD2-CD2 4.44Å; L400-Y449 HydrophobicContact CD2-CE2 4.38Å; L400-Y449 VanDerWaalsContact O-CE2 3.28Å; L400-Y449 WeakPolarHBondContact O-CE2 3.5Å; L400-Y449 PolarHBondContact O-OH 2.92Å; Y445-Y449 WeakPolarHBondContact O-CD2 3.09Å; I446-Y449 PolarHBondContact O-N 3.2Å; Y449-C451 PolarHBondContact O-N 3.01Å; Y449-L452 HydrophobicContact CD2-CD1 4.16Å; Y449-L452 HydrophobicContact CG-CD1 4.29Å; Y449-L452 PolarHBondContact O-N 3.32Å; Y449-L452 VanDerWaalsContact O-N 3.11Å
450	D	79.6	Confident	74.3	Confident	132 Å²	132	71.4 Å²	71.4	71%	0.706	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-55.6	-21.5	-179.6	-76.6	-29	0	0	0	113.7	S448 L452	S448-D450 PolarHBondContact O-N 3.37Å; D450-L452 VanDerWaalsContact C-N 3.3Å; D450-L452 PolarHBondContact O-N 3.11Å
451	C	85.4	Confident	71.6	Confident	20 Å²	20	74.8 Å²	74.8	14%	0.135	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-74	-13.2	179.2	74.3	0	0	0	0	114.5	D347 C372 Y449 L453	D347-C451 VanDerWaalsContact CG-SG 3.59Å; D347-C451 VanDerWaalsContact OD1-CB 3.26Å; D347-C451 WeakPolarHBondContact OD1-CB 3.36Å; D347-C451 PolarHBondContact OD1-SG 2.88Å; C372-C451 VanDerWaalsContact CA-SG 3.52Å; C372-C451 HydrophobicContact CB-CB 3.87Å; C372-C451 WeakPolarHBondContact CB-SG 3.46Å; C372-C451 WeakPolarHBondContact SG-CB 3.42Å; C372-C451 CovalentContact SG-SG 2.02Å; C372-C451 PolarHBondContact SG-SG 3.14Å; Y449-C451 PolarHBondContact O-N 3.01Å; C451-L453 VanDerWaalsContact C-N 3.31Å; C451-L453 PolarHBondContact O-N 2.9Å
452	L	87.3	Confident	69.2	Low	1 Å²	1	77.7 Å²	77.7	1%	0.005	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-94.2	15.1	-174.4	-51.8	-177.5	0	0	0	113.4	Y252 N253 I254 D347 M371 L400 I446 Y449 D450	Y252-L452 WeakPolarHBondContact CA-O 3.36Å; Y252-L452 HydrophobicContact CD1-CB 4.02Å; N253-L452 PolarHBondContact N-O 2.92Å; N253-L452 VanDerWaalsContact N-O 3.13Å; N253-L452 VanDerWaalsContact O-CA 3.3Å; N253-L452 WeakPolarHBondContact O-CA 2.98Å; N253-L452 WeakPolarHBondContact O-CB 2.97Å; N253-L452 WeakPolarHBondContact O-CD2 3.12Å; I254-L452 HydrophobicContact CB-CD2 4.5Å; I254-L452 HydrophobicContact CG1-CD2 3.96Å; D347-L452 HydrophobicContact CB-CD2 3.96Å; M371-L452 HydrophobicContact CG-CD1 3.92Å; M371-L452 HydrophobicContact CG-CD2 3.94Å; M371-L452 HydrophobicContact CG-CG 4.32Å; M371-L452 HydrophobicContact SD-CD2 4.33Å; L400-L452 HydrophobicContact CD2-CD1 4.23Å; I446-L452 HydrophobicContact CD1-CD1 3.82Å; Y449-L452 HydrophobicContact CD2-CD1 4.16Å; Y449-L452 HydrophobicContact CG-CD1 4.29Å; Y449-L452 PolarHBondContact O-N 3.32Å; Y449-L452 VanDerWaalsContact O-N 3.11Å; D450-L452 VanDerWaalsContact C-N 3.3Å; D450-L452 PolarHBondContact O-N 3.11Å
453	L	81.4	Confident	66.2	Low	84 Å²	84	82.9 Å²	82.9	44%	0.44	40%	0.395	S	S	.	.	S	Bend	trans	-113.6	-15.6	-162.7	-66.6	179.4	0	0	0	114.8	Y252 C451	Y252-L453 HydrophobicContact CD1-CD2 3.84Å; Y252-L453 HydrophobicContact CE1-CD2 3.57Å; C451-L453 VanDerWaalsContact C-N 3.31Å; C451-L453 PolarHBondContact O-N 2.9Å
454	D	70.6	Confident	63.5	Low	82 Å²	82	87.3 Å²	87.3	44%	0.439	42%	0.418	S	S	.	.	S	Bend	trans	-81.4	164.6	167.6	59.2	-80.7	0	0	0	111.3	N253	N253-D454 PolarHBondContact ND2-O 3.48Å
455	D	67.7	Low	61.2	Low	43 Å²	43	84.2 Å²	84.2	23%	0.23	42%	0.422	C	S	.	.			trans	-117.6	105.2	179.6	-171.8	-38.6	0	0	0	108.3	R117 F457 E458	R117-D455 IonicContact CZ-OD2 2.86Å; R117-D455 IonicContact NH1-OD2 3.18Å; R117-D455 IonicContact NH2-OD1 3.67Å; R117-D455 PolarHBondContact NH2-OD1 3Å; R117-D455 IonicContact NH2-OD2 3.1Å; R117-D455 PolarHBondContact NH2-OD2 2.91Å; D455-F457 PolarHBondContact O-N 3.14Å; D455-F457 WeakPolarHBondContact OD1-CA 3.41Å; D455-F457 VanDerWaalsContact OD1-CB 3.28Å; D455-F457 WeakPolarHBondContact OD1-CB 3.44Å; D455-F457 PolarHBondContact OD1-N 2.83Å; D455-E458 HydrophobicContact CB-CB 4.14Å; D455-E458 HydrophobicContact CB-CG 4.1Å; D455-E458 PolarHBondContact O-N 3.26Å; D455-E458 PolarHBondContact OD1-N 3.06Å
456	P	60.7	Low	59.3	Low	15 Å²	15	87.8 Å²	87.8	10%	0.097	44%	0.441	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-3.5	-178	23.4	-33.3	0	0	0	113.8	A120 P121 E255 V300	A120-P456 HydrophobicContact CB-CB 4.4Å; P121-P456 WeakPolarHBondContact CD-O 3.4Å; E255-P456 HydrophobicContact CG-CG 4.37Å; E255-P456 WeakPolarHBondContact OE1-CB 3.2Å; V300-P456 HydrophobicContact CB-CG 4.31Å; V300-P456 HydrophobicContact CG1-CG 3.87Å; V300-P456 HydrophobicContact CG2-CG 4.2Å
457	F	57.1	Low	57.3	Low	52 Å²	52	90.9 Å²	90.9	23%	0.228	46%	0.457	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-15.9	171.4	-55.5	-95	0	0	0	113.5	R116 R117 V119 P121 V300 D455 H459	R116-F457 WeakPolarHBondContact O-CE1 3.27Å; R117-F457 HydrophobicContact CB-CE2 4.4Å; R117-F457 HydrophobicContact CB-CZ 4.35Å; R117-F457 HydrophobicContact CG-CD2 4.45Å; R117-F457 HydrophobicContact CG-CE2 4.23Å; R117-F457 HydrophobicContact CG-CZ 4.38Å; R117-F457 WeakPolarHBondContact O-CZ 3.05Å; V119-F457 VanDerWaalsContact O-CE1 3.32Å; V119-F457 WeakPolarHBondContact O-CE1 3.16Å; V119-F457 WeakPolarHBondContact O-CZ 3.35Å; P121-F457 HydrophobicContact CG-CD1 3.83Å; P121-F457 HydrophobicContact CG-CE1 4.23Å; V300-F457 HydrophobicContact CG1-CE2 3.69Å; V300-F457 HydrophobicContact CG1-CZ 3.82Å; V300-F457 HydrophobicContact CG2-CE2 4.03Å; D455-F457 PolarHBondContact O-N 3.14Å; D455-F457 WeakPolarHBondContact OD1-CA 3.41Å; D455-F457 VanDerWaalsContact OD1-CB 3.28Å; D455-F457 WeakPolarHBondContact OD1-CB 3.44Å; D455-F457 PolarHBondContact OD1-N 2.83Å; F457-H459 PolarHBondContact O-N 3.07Å
458	E	47.9	Very low	55.6	Low	78 Å²	78	88.8 Å²	88.8	36%	0.364	46%	0.456	S	S	.	.			trans	-80.2	60.7	174.7	-77.4	-156.3	-174.6	0	0	113.1	K248 D455 K460	K248-E458 IonicContact NZ-OE1 3.61Å; K248-E458 PolarHBondContact NZ-OE1 2.88Å; D455-E458 HydrophobicContact CB-CB 4.14Å; D455-E458 HydrophobicContact CB-CG 4.1Å; D455-E458 PolarHBondContact O-N 3.26Å; D455-E458 PolarHBondContact OD1-N 3.06Å; E458-K460 PolarHBondContact O-N 3.29Å
459	H	41.2	Very low	54	Low	129 Å²	129	85.1 Å²	85.1	60%	0.597	43%	0.43	S	S	*	.			trans	-63.5	102.9	161.1	-90.9	54.6	0	0	0	110.3	F457 W461	F457-H459 PolarHBondContact O-N 3.07Å; H459-W461 VanDerWaalsContact O-CA 3.26Å; H459-W461 WeakPolarHBondContact O-CA 3.23Å; H459-W461 PolarHBondContact O-N 2.66Å
460	K	29.1	Very low	52.5	Low	165 Å²	165	88 Å²	88	72%	0.717	45%	0.446	S	S	*	.	S	Bend	trans	-60.1	106.7	174.7	-56.1	150.9	-170.6	150.7	0	109.6	E341 E458	E341-K460 IonicContact OE2-NZ 3.56Å; E458-K460 PolarHBondContact O-N 3.29Å
461	W	32.5	Very low	51	Low	181 Å²	181	87.6 Å²	87.6	69%	0.686	44%	0.444	S	S	*	.			cis	-172.2	179.5	-7.3	-103.6	118.5	0	0	0	105.5	H459	H459-W461 VanDerWaalsContact O-CA 3.26Å; H459-W461 WeakPolarHBondContact O-CA 3.23Å; H459-W461 PolarHBondContact O-N 2.66Å
462	P	38.6	Very low	49.3	Very low	93 Å²	93	92.2 Å²	92.2	60%	0.604	46%	0.459	S	S	*	.			cis	-140.9	174	-23.3	37.4	-18.6	0	0	0	117.6
463	K	26.6	Very low	48.3	Very low	109 Å²	109	94.2 Å²	94.2	47%	0.474	47%	0.474	S	S	.	.			trans	-156.8	165.8	139.4	-104.1	170.3	-167	-138.9	0	110.2	D548 G583	K463-D548 IonicContact NZ-OD1 2.78Å; K463-D548 PolarHBondContact NZ-OD1 2.97Å; K463-G583 WeakPolarHBondContact CD-O 3.41Å; K463-G583 WeakPolarHBondContact CE-O 3.04Å; K463-G583 WeakPolarHBondContact CG-O 3.43Å; K463-G583 PolarHBondContact NZ-O 2.92Å
464	L	29.1	Very low	47.8	Very low	159 Å²	159	91 Å²	91	83%	0.832	46%	0.456	S	S	*	.			trans	-114.3	157	-158.8	-78.6	152	0	0	0	115.6
465	P	37.6	Very low	47.9	Very low	118 Å²	118	90.9 Å²	90.9	77%	0.766	46%	0.456	S	S	*	.			trans	-103.4	175.2	-175.6	40.5	-36.3	0	0	0	116.5
466	E	41.1	Very low	47.8	Very low	150 Å²	150	93.1 Å²	93.1	70%	0.701	47%	0.465	S	S	*	.			trans	-86.3	-178.4	179.3	-63.9	-170.6	135.9	0	0	114.8
467	L	43.4	Very low	48.1	Very low	66 Å²	66	93.5 Å²	93.5	35%	0.346	47%	0.466	S	S	.	.			trans	-102.7	146	-161.7	-69	158.9	0	0	0	114.8	D521 W530 F532	L467-D521 HydrophobicContact CD2-CB 4.45Å; L467-W530 HydrophobicContact CB-CH2 4.42Å; L467-W530 HydrophobicContact CB-CZ3 4.39Å; L467-W530 HydrophobicContact CD1-CH2 3.82Å; L467-W530 HydrophobicContact CD1-CZ2 4.36Å; L467-F532 HydrophobicContact CD1-CD2 3.76Å; L467-F532 HydrophobicContact CD1-CE2 3.36Å; L467-F532 HydrophobicContact CD1-CZ 4.14Å; L467-F532 HydrophobicContact CD2-CE2 3.92Å; L467-F532 HydrophobicContact CG-CE2 4.3Å
468	P	44.4	Very low	48.5	Very low	90 Å²	90	91 Å²	91	58%	0.584	46%	0.455	S	S	*	.	G	3₁₀ helix	trans	-83.7	-25.1	-157.2	-14.2	31.8	0	0	0	116.5	I470 D521	P468-I470 VanDerWaalsContact C-N 3.28Å; P468-I470 PolarHBondContact O-N 3.26Å; P468-D521 WeakPolarHBondContact CD-O 2.96Å
469	G	47.3	Very low	49.4	Very low	0 Å²	0	93.8 Å²	93.8	0%	0	46%	0.462	C	S	.	.	G	3₁₀ helix	trans	-76.8	-6.7	-166.9	0	0	0	0	0	115.6	N471 Y472 D521 G522 T523	G469-N471 PolarHBondContact O-N 3.23Å; G469-N471 VanDerWaalsContact O-N 3.11Å; G469-Y472 PolarHBondContact O-N 2.94Å; G469-D521 WeakPolarHBondContact CA-O 3.28Å; G469-D521 PolarHBondContact N-O 3.38Å; G469-G522 VanDerWaalsContact C-CA 3.47Å; G469-G522 CarbonylContact C-O 3.54Å; G469-G522 CarbonylContact O-C 3.57Å; G469-T523 WeakPolarHBondContact O-CA 3.48Å; G469-T523 PolarHBondContact O-N 3.42Å
470	I	53.8	Low	50.2	Low	80 Å²	80	94.5 Å²	94.5	41%	0.41	46%	0.463	S	S	.	.	G	3₁₀ helix	trans	-55.7	-31.4	-179.6	-59.3	175.2	0	0	0	111.2	P468 W530	P468-I470 VanDerWaalsContact C-N 3.28Å; P468-I470 PolarHBondContact O-N 3.26Å; I470-W530 HydrophobicContact CD1-CE3 4.38Å; I470-W530 HydrophobicContact CD1-CZ3 3.8Å; I470-W530 HydrophobicContact CG1-CE3 3.83Å; I470-W530 HydrophobicContact CG1-CZ3 3.66Å
471	N	47.8	Very low	51.1	Low	125 Å²	125	89.7 Å²	89.7	67%	0.668	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-97.4	5.2	-171.6	-63.1	6.2	0	0	0	113.9	G469	G469-N471 PolarHBondContact O-N 3.23Å; G469-N471 VanDerWaalsContact O-N 3.11Å
472	Y	50.9	Low	52.8	Low	116 Å²	116	83.7 Å²	83.7	46%	0.455	42%	0.424	S	S	.	.			trans	-138.5	115.3	-174.9	-58.1	-70.4	0	0	0	111.7	G469 Q477 F480 T523	G469-Y472 PolarHBondContact O-N 2.94Å; Y472-Q477 PolarHBondContact O-NE2 2.81Å; Y472-F480 HydrophobicContact CD1-CE2 4.04Å; Y472-F480 HydrophobicContact CE1-CE2 4.36Å; Y472-T523 WeakPolarHBondContact O-CG2 3.46Å
473	S	65.6	Low	53.7	Low	44 Å²	44	80.8 Å²	80.8	31%	0.308	41%	0.412	S	S	.	.			trans	-75.4	169.3	176.3	70.8	0	0	0	0	113.3	D475 E476 Q477	S473-D475 VanDerWaalsContact C-N 3.29Å; S473-D475 PolarHBondContact O-N 3.35Å; S473-E476 WeakPolarHBondContact CB-OE2 3.17Å; S473-E476 PolarHBondContact N-OE2 2.75Å; S473-E476 PolarHBondContact O-N 3.31Å; S473-E476 VanDerWaalsContact OG-CD 3.29Å; S473-E476 WeakPolarHBondContact OG-CG 3.33Å; S473-E476 PolarHBondContact OG-N 2.69Å; S473-E476 PolarHBondContact OG-OE2 2.78Å; S473-Q477 WeakPolarHBondContact O-CB 3.15Å; S473-Q477 WeakPolarHBondContact O-CG 3.3Å; S473-Q477 PolarHBondContact O-N 2.81Å; S473-Q477 PolarHBondContact O-NE2 2.82Å; S473-Q477 VanDerWaalsContact O-NE2 3.11Å
474	M	70.1	Confident	55.8	Low	16 Å²	16	80.7 Å²	80.7	8%	0.079	42%	0.42	C	S	.	.	H	α-helix	trans	-59.1	-38.3	174.4	-59.6	-73.9	-75.5	0	0	112.5	C478 M488 P497 L501 P519 T523	M474-C478 PolarHBondContact O-N 2.92Å; M474-M488 HydrophobicContact CB-CB 4.48Å; M474-M488 HydrophobicContact CB-CG 4.47Å; M474-M488 HydrophobicContact CB-SD 4.46Å; M474-M488 HydrophobicContact CE-CG 4.49Å; M474-M488 HydrophobicContact CE-SD 4.06Å; M474-P497 HydrophobicContact CE-CB 3.72Å; M474-P497 HydrophobicContact CE-CG 4.46Å; M474-L501 HydrophobicContact CB-CD1 4.25Å; M474-L501 HydrophobicContact CE-CD1 3.6Å; M474-L501 HydrophobicContact SD-CD1 4.11Å; M474-P519 HydrophobicContact CE-CG 3.74Å; M474-P519 HydrophobicContact SD-CB 3.65Å; M474-P519 HydrophobicContact SD-CG 3.42Å; M474-P519 WeakPolarHBondContact SD-CG 3.31Å; M474-T523 HydrophobicContact CG-CG2 3.73Å; M474-T523 HydrophobicContact SD-CG2 3.49Å; M474-T523 WeakPolarHBondContact SD-CG2 3.29Å
475	D	73	Confident	57.7	Low	80 Å²	80	74.7 Å²	74.7	43%	0.428	40%	0.396	S	S	.	.	H	α-helix	trans	-74.9	-40.6	-178.7	-74.4	-28.7	0	0	0	111.5	S473 C478 R479 K487 M488	S473-D475 VanDerWaalsContact C-N 3.29Å; S473-D475 PolarHBondContact O-N 3.35Å; D475-C478 WeakPolarHBondContact O-CB 3.44Å; D475-C478 PolarHBondContact O-N 2.88Å; D475-R479 WeakPolarHBondContact O-CB 3.02Å; D475-R479 PolarHBondContact O-N 2.85Å; D475-K487 HydrophobicContact CB-CB 4.42Å; D475-M488 WeakPolarHBondContact OD1-CB 3.26Å; D475-M488 PolarHBondContact OD1-N 3.13Å
476	E	65.1	Low	59.6	Low	89 Å²	89	71.2 Å²	71.2	42%	0.416	37%	0.368	S	S	.	.	H	α-helix	trans	-65	-42.7	174.9	-70.3	159.5	134.3	0	0	111.1	S473 C478 R479 F480	S473-E476 WeakPolarHBondContact CB-OE2 3.17Å; S473-E476 PolarHBondContact N-OE2 2.75Å; S473-E476 PolarHBondContact O-N 3.31Å; S473-E476 VanDerWaalsContact OG-CD 3.29Å; S473-E476 WeakPolarHBondContact OG-CG 3.33Å; S473-E476 PolarHBondContact OG-N 2.69Å; S473-E476 PolarHBondContact OG-OE2 2.78Å; E476-C478 VanDerWaalsContact C-N 3.33Å; E476-C478 PolarHBondContact O-N 3.42Å; E476-R479 CarbonylContact O-C 3.55Å; E476-R479 WeakPolarHBondContact O-CA 3.18Å; E476-R479 WeakPolarHBondContact O-CB 3.31Å; E476-R479 PolarHBondContact O-N 2.86Å; E476-R479 VanDerWaalsContact O-N 3.09Å; E476-F480 HydrophobicContact CB-CD2 4.46Å; E476-F480 HydrophobicContact CB-CE2 4.06Å; E476-F480 WeakPolarHBondContact O-CD2 3.49Å; E476-F480 WeakPolarHBondContact O-CG 3.47Å; E476-F480 PolarHBondContact O-N 2.89Å
477	Q	66.9	Low	61.5	Low	24 Å²	24	68.4 Å²	68.4	11%	0.112	35%	0.354	C	S	.	.	H	α-helix	trans	-59	-43.9	171.9	-75	168	71.9	0	0	111.3	Y472 S473 R479 F480 D481 L501 P519 T523	Y472-Q477 PolarHBondContact O-NE2 2.81Å; S473-Q477 WeakPolarHBondContact O-CB 3.15Å; S473-Q477 WeakPolarHBondContact O-CG 3.3Å; S473-Q477 PolarHBondContact O-N 2.81Å; S473-Q477 PolarHBondContact O-NE2 2.82Å; S473-Q477 VanDerWaalsContact O-NE2 3.11Å; Q477-R479 VanDerWaalsContact C-N 3.3Å; Q477-R479 PolarHBondContact O-N 2.8Å; Q477-F480 PolarHBondContact O-N 3.13Å; Q477-D481 WeakPolarHBondContact O-CB 3.12Å; Q477-D481 PolarHBondContact O-N 3.45Å; Q477-L501 HydrophobicContact CB-CD2 3.53Å; Q477-P519 VanDerWaalsContact OE1-CA 3.25Å; Q477-T523 VanDerWaalsContact NE2-CG2 3.27Å; Q477-T523 PolarHBondContact NE2-OG1 2.68Å
478	C	65.6	Low	63.4	Low	0 Å²	0	68 Å²	68	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-60	-37.5	173.1	-82.4	0	0	0	0	113.7	M474 D475 E476 D481 F482 C503	M474-C478 PolarHBondContact O-N 2.92Å; D475-C478 WeakPolarHBondContact O-CB 3.44Å; D475-C478 PolarHBondContact O-N 2.88Å; E476-C478 VanDerWaalsContact C-N 3.33Å; E476-C478 PolarHBondContact O-N 3.42Å; C478-D481 PolarHBondContact O-N 3.4Å; C478-F482 PolarHBondContact O-N 3.01Å; C478-C503 WeakPolarHBondContact CA-SG 3.24Å; C478-C503 HydrophobicContact CB-CB 3.67Å; C478-C503 WeakPolarHBondContact CB-SG 3.28Å; C478-C503 VanDerWaalsContact SG-CA 3.5Å; C478-C503 WeakPolarHBondContact SG-CB 3.22Å; C478-C503 CovalentContact SG-SG 2.03Å; C478-C503 PolarHBondContact SG-SG 3.46Å
479	R	67.8	Low	65.2	Low	135 Å²	135	64 Å²	64	51%	0.509	32%	0.324	S	S	.	.	H	α-helix	trans	-67.7	-40.8	176	-175.1	-173.4	172.5	112.6	-3.3	112.1	D475 E476 Q477 G483 Y486	D475-R479 WeakPolarHBondContact O-CB 3.02Å; D475-R479 PolarHBondContact O-N 2.85Å; E476-R479 CarbonylContact O-C 3.55Å; E476-R479 WeakPolarHBondContact O-CA 3.18Å; E476-R479 WeakPolarHBondContact O-CB 3.31Å; E476-R479 PolarHBondContact O-N 2.86Å; E476-R479 VanDerWaalsContact O-N 3.09Å; Q477-R479 VanDerWaalsContact C-N 3.3Å; Q477-R479 PolarHBondContact O-N 2.8Å; R479-G483 CarbonylContact O-C 3.59Å; R479-G483 WeakPolarHBondContact O-CA 3.17Å; R479-G483 PolarHBondContact O-N 3.38Å; R479-Y486 PolarHBondContact N-O 2.96Å
480	F	57.1	Low	66.5	Low	145 Å²	145	68.5 Å²	68.5	64%	0.636	35%	0.352	S	S	*	.	H	α-helix	trans	-69	-38	174.3	-65.4	-55.8	0	0	0	111.9	Y472 E476 Q477	Y472-F480 HydrophobicContact CD1-CE2 4.04Å; Y472-F480 HydrophobicContact CE1-CE2 4.36Å; E476-F480 HydrophobicContact CB-CD2 4.46Å; E476-F480 HydrophobicContact CB-CE2 4.06Å; E476-F480 WeakPolarHBondContact O-CD2 3.49Å; E476-F480 WeakPolarHBondContact O-CG 3.47Å; E476-F480 PolarHBondContact O-N 2.89Å; Q477-F480 PolarHBondContact O-N 3.13Å
481	D	49.8	Very low	67.2	Low	63 Å²	63	66.7 Å²	66.7	34%	0.337	35%	0.349	S	S	.	.	H	α-helix	trans	-81.8	-28.6	-173.5	-123.7	1.7	0	0	0	114.1	Q477 C478 K515	Q477-D481 WeakPolarHBondContact O-CB 3.12Å; Q477-D481 PolarHBondContact O-N 3.45Å; C478-D481 PolarHBondContact O-N 3.4Å; D481-K515 HydrophobicContact CB-CD 4.08Å; D481-K515 WeakPolarHBondContact O-CE 3.46Å; D481-K515 PolarHBondContact O-NZ 2.92Å; D481-K515 WeakPolarHBondContact OD1-CD 3.38Å; D481-K515 WeakPolarHBondContact OD1-CE 3.31Å; D481-K515 IonicContact OD1-NZ 2.57Å; D481-K515 PolarHBondContact OD1-NZ 2.97Å; D481-K515 WeakPolarHBondContact OD2-CD 3.46Å
482	F	67.3	Low	67.8	Low	55 Å²	55	65.3 Å²	65.3	24%	0.241	34%	0.338	C	S	.	.	H	α-helix	trans	-125.7	-1.6	-176.6	-67.7	-77.8	0	0	0	115.3	C478 Y486 C503 K513 K515	C478-F482 PolarHBondContact O-N 3.01Å; F482-Y486 HydrophobicContact CB-CD1 3.73Å; F482-Y486 HydrophobicContact CB-CD2 3.7Å; F482-Y486 HydrophobicContact CB-CE1 4.2Å; F482-Y486 HydrophobicContact CB-CE2 4.18Å; F482-Y486 HydrophobicContact CB-CG 3.45Å; F482-Y486 VanDerWaalsContact CB-CG 3.45Å; F482-Y486 HydrophobicContact CG-CD1 4.32Å; F482-Y486 HydrophobicContact CG-CG 4.48Å; F482-Y486 VanDerWaalsContact O-CD2 3.29Å; F482-Y486 WeakPolarHBondContact O-CD2 3.18Å; F482-C503 HydrophobicContact CD2-CB 3.64Å; F482-C503 HydrophobicContact CE2-CB 4Å; F482-C503 HydrophobicContact CG-CB 4.48Å; F482-K513 HydrophobicContact CD1-CB 4.48Å; F482-K513 HydrophobicContact CD1-CD 4.46Å; F482-K513 HydrophobicContact CE1-CB 3.95Å; F482-K513 HydrophobicContact CE1-CD 4.42Å; F482-K513 HydrophobicContact CZ-CB 4.09Å; F482-K515 HydrophobicContact CZ-CB 4.39Å; F482-K515 HydrophobicContact CZ-CD 4.22Å; F482-K515 HydrophobicContact CZ-CG 3.95Å
483	G	57.8	Low	68	Low	33 Å²	33	71.3 Å²	71.3	34%	0.34	36%	0.359	S	S	.	.			trans	97.9	171.3	177.4	0	0	0	0	0	114.1	R479 G485 Y486	R479-G483 CarbonylContact O-C 3.59Å; R479-G483 WeakPolarHBondContact O-CA 3.17Å; R479-G483 PolarHBondContact O-N 3.38Å; G483-G485 PolarHBondContact O-N 2.54Å; G483-Y486 PolarHBondContact O-N 3.07Å
484	V	70.4	Confident	67.5	Low	107 Å²	107	71.7 Å²	71.7	65%	0.648	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	135.3	-178.2	-62.7	0	0	0	0	111.7
485	G	68.1	Low	66.8	Low	32 Å²	32	82.2 Å²	82.2	33%	0.33	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.3	-24.5	-176.7	0	0	0	0	0	115.1	G483 H505 P506	G483-G485 PolarHBondContact O-N 2.54Å; G485-H505 VanDerWaalsContact C-CD2 3.5Å; G485-P506 WeakPolarHBondContact O-CD 3.32Å
486	Y	79.1	Confident	66.4	Low	46 Å²	46	80.2 Å²	80.2	18%	0.18	39%	0.39	C	S	.	.			trans	-70.7	138.5	173.6	-80.7	-96.4	0	0	0	112	R479 F482 G483 C503 S504 H505 K513	R479-Y486 PolarHBondContact N-O 2.96Å; F482-Y486 HydrophobicContact CB-CD1 3.73Å; F482-Y486 HydrophobicContact CB-CD2 3.7Å; F482-Y486 HydrophobicContact CB-CE1 4.2Å; F482-Y486 HydrophobicContact CB-CE2 4.18Å; F482-Y486 HydrophobicContact CB-CG 3.45Å; F482-Y486 VanDerWaalsContact CB-CG 3.45Å; F482-Y486 HydrophobicContact CG-CD1 4.32Å; F482-Y486 HydrophobicContact CG-CG 4.48Å; F482-Y486 VanDerWaalsContact O-CD2 3.29Å; F482-Y486 WeakPolarHBondContact O-CD2 3.18Å; G483-Y486 PolarHBondContact O-N 3.07Å; Y486-C503 HydrophobicContact CD1-CB 4.31Å; Y486-S504 WeakPolarHBondContact CA-O 3.36Å; Y486-H505 HydrophobicContact CD1-CB 4.41Å; Y486-H505 AromaticContact CD2-CD2 3.6Å; Y486-H505 HydrophobicContact CE1-CB 4.12Å; Y486-H505 HydrophobicContact CE2-CB 4.3Å; Y486-H505 AromaticContact CE2-CD2 3.7Å; Y486-K513 HydrophobicContact CE1-CD 4.46Å; Y486-K513 PolarHBondContact OH-NZ 2.86Å; Y486-K513 VanDerWaalsContact OH-NZ 3.17Å
487	K	81.3	Confident	66.5	Low	91 Å²	91	77.2 Å²	77.2	40%	0.396	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	171.6	178.2	64.4	177.4	-178.7	178.8	0	110.7	D475 C489 C503 S504	D475-K487 HydrophobicContact CB-CB 4.42Å; K487-C489 PolarHBondContact O-N 3.36Å; K487-C503 CarbonylContact O-C 3.59Å; K487-C503 VanDerWaalsContact O-CA 3.23Å; K487-C503 WeakPolarHBondContact O-CA 3.43Å; K487-S504 PolarHBondContact N-O 2.95Å; K487-S504 PolarHBondContact O-N 2.94Å
488	M	82.4	Confident	66.9	Low	57 Å²	57	76.1 Å²	76.1	28%	0.281	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56	136.5	-179.3	-162.1	-157.2	73.8	0	0	111.7	M474 D475 T490 W502	M474-M488 HydrophobicContact CB-CB 4.48Å; M474-M488 HydrophobicContact CB-CG 4.47Å; M474-M488 HydrophobicContact CB-SD 4.46Å; M474-M488 HydrophobicContact CE-CG 4.49Å; M474-M488 HydrophobicContact CE-SD 4.06Å; D475-M488 WeakPolarHBondContact OD1-CB 3.26Å; D475-M488 PolarHBondContact OD1-N 3.13Å; M488-T490 HydrophobicContact CE-CG2 4.45Å; M488-T490 PolarHBondContact O-N 3.47Å; M488-W502 CarbonylContact C-O 3.57Å; M488-W502 WeakPolarHBondContact CA-O 3.45Å
489	C	81.9	Confident	67.2	Low	5 Å²	5	82 Å²	82	3%	0.034	40%	0.398	C	S	.	.			trans	-64.6	117.2	179.1	174.9	0	0	0	0	111.6	K487 F492 W502 C512	K487-C489 PolarHBondContact O-N 3.36Å; C489-F492 VanDerWaalsContact SG-CE1 3.51Å; C489-W502 HydrophobicContact CB-CB 3.74Å; C489-W502 WeakPolarHBondContact CB-O 3.23Å; C489-W502 PolarHBondContact N-O 3.22Å; C489-C512 HydrophobicContact CB-CB 3.67Å; C489-C512 WeakPolarHBondContact CB-SG 3.48Å; C489-C512 WeakPolarHBondContact SG-CB 3.16Å; C489-C512 CovalentContact SG-SG 2.02Å; C489-C512 PolarHBondContact SG-SG 3.38Å
490	T	74.1	Confident	67.4	Low	95 Å²	95	78.6 Å²	78.6	58%	0.583	39%	0.388	S	S	*	.			trans	-101.4	-1.6	173.2	55.6	0	0	0	0	113.6	M488 F492	M488-T490 HydrophobicContact CE-CG2 4.45Å; M488-T490 PolarHBondContact O-N 3.47Å; T490-F492 VanDerWaalsContact C-N 3.27Å; T490-F492 PolarHBondContact O-N 3.23Å
491	A	69.4	Low	68.4	Low	43 Å²	43	72.2 Å²	72.2	36%	0.355	36%	0.361	S	S	.	.	S	Bend	trans	-63.5	-27.8	-175.9	0	0	0	0	0	114.2
492	F	60.4	Low	69.9	Low	96 Å²	96	72.8 Å²	72.8	42%	0.421	36%	0.358	S	S	.	.	S	Bend	trans	-144.7	147.4	174	60.6	-86.3	0	0	0	109.9	C489 T490 T494 W502 C512	C489-F492 VanDerWaalsContact SG-CE1 3.51Å; T490-F492 VanDerWaalsContact C-N 3.27Å; T490-F492 PolarHBondContact O-N 3.23Å; F492-T494 HydrophobicContact CD2-CG2 4.15Å; F492-T494 HydrophobicContact CE2-CG2 3.64Å; F492-T494 PolarHBondContact O-N 2.57Å; F492-W502 HydrophobicContact CZ-CD2 4.01Å; F492-W502 HydrophobicContact CZ-CE3 4.1Å; F492-W502 HydrophobicContact CZ-CG 4.3Å; F492-C512 HydrophobicContact CE1-CB 4.13Å
493	R	55.9	Low	70.8	Confident	241 Å²	241	70.2 Å²	70.2	91%	0.909	35%	0.347	S	S	*	.			trans	-80.6	109.9	176.9	-72.4	-172.3	176.3	-169.7	-1	110.7
494	T	55.2	Low	72	Confident	52 Å²	52	68.6 Å²	68.6	32%	0.319	33%	0.331	S	S	.	.			trans	-71.2	134.2	161.7	44.7	0	0	0	0	109.7	F492	F492-T494 HydrophobicContact CD2-CG2 4.15Å; F492-T494 HydrophobicContact CE2-CG2 3.64Å; F492-T494 PolarHBondContact O-N 2.57Å
495	Y	53.5	Low	72.7	Confident	238 Å²	238	65.9 Å²	65.9	93%	0.933	31%	0.31	S	S	*	.	S	Bend	trans	-79.2	-19.8	-177.5	-98.9	-86.2	0	0	0	114.1
496	D	66.5	Low	72.9	Confident	38 Å²	38	67.3 Å²	67.3	20%	0.203	31%	0.314	C	S	.	.			trans	-146.5	102.6	170.9	-178.9	-0.8	0	0	0	107.7	C498 K499 H535	D496-C498 VanDerWaalsContact C-N 3.27Å; D496-C498 PolarHBondContact O-N 3.44Å; D496-C498 PolarHBondContact OD1-N 2.02Å; D496-K499 HydrophobicContact CB-CD 4.37Å; D496-K499 HydrophobicContact CB-CG 4.29Å; D496-K499 PolarHBondContact O-N 3.11Å; D496-K499 IonicContact OD2-NZ 2.85Å; D496-K499 PolarHBondContact OD2-NZ 3.46Å; D496-H535 IonicContact OD2-ND1 3.17Å; D496-H535 PolarHBondContact OD2-ND1 3.15Å
497	P	66.8	Low	72.8	Confident	26 Å²	26	71.6 Å²	71.6	17%	0.169	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-76.9	-15.6	-172.8	34	-37.3	0	0	0	112.4	M474 K499 C525	M474-P497 HydrophobicContact CE-CB 3.72Å; M474-P497 HydrophobicContact CE-CG 4.46Å; P497-K499 PolarHBondContact O-N 3.03Å; P497-C525 HydrophobicContact CG-CB 4.41Å
498	C	74.4	Confident	72.2	Confident	0 Å²	0	72 Å²	72	0%	0	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-72.3	-13.8	176.2	-64.2	0	0	0	0	113.5	D496 P518 P519 C525 C531 G534	D496-C498 VanDerWaalsContact C-N 3.27Å; D496-C498 PolarHBondContact O-N 3.44Å; D496-C498 PolarHBondContact OD1-N 2.02Å; C498-P518 WeakPolarHBondContact O-CB 3.27Å; C498-P519 VanDerWaalsContact O-CD 3.31Å; C498-P519 WeakPolarHBondContact O-CD 3.36Å; C498-C525 WeakPolarHBondContact SG-CB 2.95Å; C498-C525 VanDerWaalsContact SG-SG 3.62Å; C498-C531 VanDerWaalsContact CA-SG 3.51Å; C498-C531 HydrophobicContact CB-CB 3.79Å; C498-C531 WeakPolarHBondContact CB-SG 3.43Å; C498-C531 WeakPolarHBondContact SG-CA 3.49Å; C498-C531 WeakPolarHBondContact SG-CB 3.26Å; C498-C531 CovalentContact SG-SG 2.04Å; C498-C531 PolarHBondContact SG-SG 2.85Å; C498-G534 CarbonylContact C-O 3.52Å; C498-G534 VanDerWaalsContact C-O 3.26Å; C498-G534 VanDerWaalsContact CB-O 3.29Å; C498-G534 WeakPolarHBondContact CB-O 3.09Å; C498-G534 CarbonylContact O-C 3.59Å; C498-G534 VanDerWaalsContact O-CA 3.25Å; C498-G534 WeakPolarHBondContact O-CA 3.31Å
499	K	71.7	Confident	71.4	Confident	123 Å²	123	73.7 Å²	73.7	54%	0.535	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-73.9	-32.8	178.8	-73.3	-171.6	171	73.1	0	113.4	D496 P497 G534	D496-K499 HydrophobicContact CB-CD 4.37Å; D496-K499 HydrophobicContact CB-CG 4.29Å; D496-K499 PolarHBondContact O-N 3.11Å; D496-K499 IonicContact OD2-NZ 2.85Å; D496-K499 PolarHBondContact OD2-NZ 3.46Å; P497-K499 PolarHBondContact O-N 3.03Å; K499-G534 PolarHBondContact N-O 2.85Å
500	Q	72.9	Confident	70.9	Confident	65 Å²	65	82 Å²	82	30%	0.304	39%	0.386	S	S	.	.	S	Bend	trans	-164.5	129.4	-178.8	-175.3	166.9	9.6	0	0	110.1	W502 T514	Q500-W502 VanDerWaalsContact O-CD1 3.25Å; Q500-T514 WeakPolarHBondContact CG-OG1 3.42Å; Q500-T514 VanDerWaalsContact NE2-CG2 3.26Å; Q500-T514 PolarHBondContact NE2-OG1 2.93Å
501	L	77.6	Confident	71.1	Confident	10 Å²	10	83.4 Å²	83.4	5%	0.052	38%	0.384	C	S	.	.			trans	-78.3	131.1	177.7	-172.7	60.2	0	0	0	111	M474 Q477 T514 G517 P519	M474-L501 HydrophobicContact CB-CD1 4.25Å; M474-L501 HydrophobicContact CE-CD1 3.6Å; M474-L501 HydrophobicContact SD-CD1 4.11Å; Q477-L501 HydrophobicContact CB-CD2 3.53Å; L501-T514 VanDerWaalsContact O-CB 3.26Å; L501-T514 WeakPolarHBondContact O-CB 3.42Å; L501-T514 PolarHBondContact O-OG1 2.91Å; L501-G517 PolarHBondContact N-O 3.02Å; L501-P519 HydrophobicContact CB-CG 4.16Å; L501-P519 HydrophobicContact CD1-CG 4.31Å
502	W	80.7	Confident	71.5	Confident	76 Å²	76	82.4 Å²	82.4	29%	0.288	37%	0.374	S	S	.	.			trans	-122.8	133.4	176.6	-69.4	84.7	0	0	0	109.8	M488 C489 F492 Q500 C512 K513 T514	M488-W502 CarbonylContact C-O 3.57Å; M488-W502 WeakPolarHBondContact CA-O 3.45Å; C489-W502 HydrophobicContact CB-CB 3.74Å; C489-W502 WeakPolarHBondContact CB-O 3.23Å; C489-W502 PolarHBondContact N-O 3.22Å; F492-W502 HydrophobicContact CZ-CD2 4.01Å; F492-W502 HydrophobicContact CZ-CE3 4.1Å; F492-W502 HydrophobicContact CZ-CG 4.3Å; Q500-W502 VanDerWaalsContact O-CD1 3.25Å; W502-C512 HydrophobicContact CE3-CB 4.44Å; W502-K513 CarbonylContact C-O 3.51Å; W502-K513 WeakPolarHBondContact CA-O 3.31Å; W502-T514 HydrophobicContact CD2-CG2 4.03Å; W502-T514 HydrophobicContact CE3-CG2 3.75Å; W502-T514 HydrophobicContact CH2-CG2 3.48Å; W502-T514 VanDerWaalsContact CH2-CG2 3.48Å; W502-T514 HydrophobicContact CZ2-CG2 3.75Å; W502-T514 HydrophobicContact CZ3-CG2 3.47Å; W502-T514 VanDerWaalsContact CZ3-CG2 3.47Å
503	C	85.8	Confident	71.9	Confident	0 Å²	0	81.5 Å²	81.5	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	149.1	-168.9	-52.4	0	0	0	0	111.8	C478 F482 Y486 K487 C512 K513	C478-C503 WeakPolarHBondContact CA-SG 3.24Å; C478-C503 HydrophobicContact CB-CB 3.67Å; C478-C503 WeakPolarHBondContact CB-SG 3.28Å; C478-C503 VanDerWaalsContact SG-CA 3.5Å; C478-C503 WeakPolarHBondContact SG-CB 3.22Å; C478-C503 CovalentContact SG-SG 2.03Å; C478-C503 PolarHBondContact SG-SG 3.46Å; F482-C503 HydrophobicContact CD2-CB 3.64Å; F482-C503 HydrophobicContact CE2-CB 4Å; F482-C503 HydrophobicContact CG-CB 4.48Å; Y486-C503 HydrophobicContact CD1-CB 4.31Å; K487-C503 CarbonylContact O-C 3.59Å; K487-C503 VanDerWaalsContact O-CA 3.23Å; K487-C503 WeakPolarHBondContact O-CA 3.43Å; C503-C512 CarbonylContact O-C 3.21Å; C503-C512 VanDerWaalsContact O-CA 3.26Å; C503-C512 WeakPolarHBondContact O-CA 3.25Å; C503-K513 PolarHBondContact N-O 2.82Å; C503-K513 PolarHBondContact O-N 3.2Å
504	S	83.6	Confident	72.3	Confident	0 Å²	0	72 Å²	72	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	155.4	-179.3	62.7	0	0	0	0	111.2	Y486 K487	Y486-S504 WeakPolarHBondContact CA-O 3.36Å; K487-S504 PolarHBondContact N-O 2.95Å; K487-S504 PolarHBondContact O-N 2.94Å
505	H	85.8	Confident	72.2	Confident	49 Å²	49	74.4 Å²	74.4	23%	0.227	35%	0.345	C	S	.	.			trans	-95.6	139.2	174.3	-154.6	-104.1	0	0	0	110.1	G485 Y486 D507 N508 Q509	G485-H505 VanDerWaalsContact C-CD2 3.5Å; Y486-H505 HydrophobicContact CD1-CB 4.41Å; Y486-H505 AromaticContact CD2-CD2 3.6Å; Y486-H505 HydrophobicContact CE1-CB 4.12Å; Y486-H505 HydrophobicContact CE2-CB 4.3Å; Y486-H505 AromaticContact CE2-CD2 3.7Å; H505-D507 VanDerWaalsContact C-N 3.28Å; H505-D507 IonicContact CE1-OD2 2.74Å; H505-D507 PolarHBondContact CE1-OD2 2.86Å; H505-D507 IonicContact ND1-OD2 3.99Å; H505-D507 PolarHBondContact ND1-OD2 2.68Å; H505-D507 PolarHBondContact O-N 3.39Å; H505-N508 CarbonylContact O-C 3.52Å; H505-N508 VanDerWaalsContact O-C 3.28Å; H505-N508 PolarHBondContact O-N 3.19Å; H505-N508 VanDerWaalsContact O-N 3.07Å; H505-Q509 PolarHBondContact O-N 3.45Å
506	P	72	Confident	71.6	Confident	62 Å²	62	73.3 Å²	73.3	40%	0.403	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-54.7	-40.5	-177.9	19.5	-33.5	0	0	0	113.5	G485 N508	G485-P506 WeakPolarHBondContact O-CD 3.32Å; P506-N508 PolarHBondContact O-N 3.16Å; P506-N508 VanDerWaalsContact O-N 3.07Å
507	D	76.9	Confident	70.8	Confident	137 Å²	137	73 Å²	73	73%	0.733	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-62.7	-17.7	-178.8	-44.6	-36.4	0	0	0	113.7	H505	H505-D507 VanDerWaalsContact C-N 3.28Å; H505-D507 IonicContact CE1-OD2 2.74Å; H505-D507 PolarHBondContact CE1-OD2 2.86Å; H505-D507 IonicContact ND1-OD2 3.99Å; H505-D507 PolarHBondContact ND1-OD2 2.68Å; H505-D507 PolarHBondContact O-N 3.39Å
508	N	69.6	Low	70.5	Confident	99 Å²	99	75.2 Å²	75.2	53%	0.529	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-147.9	58.9	178.3	-152	-19	0	0	0	111.5	H505 P506 Y510 F511	H505-N508 CarbonylContact O-C 3.52Å; H505-N508 VanDerWaalsContact O-C 3.28Å; H505-N508 PolarHBondContact O-N 3.19Å; H505-N508 VanDerWaalsContact O-N 3.07Å; P506-N508 PolarHBondContact O-N 3.16Å; P506-N508 VanDerWaalsContact O-N 3.07Å; N508-Y510 PolarHBondContact O-N 3.2Å; N508-F511 PolarHBondContact O-N 2.95Å
509	Q	65	Low	70.3	Confident	93 Å²	93	75.2 Å²	75.2	44%	0.435	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-18.8	-171.8	65.8	179.2	-5.4	0	0	116.8	H505	H505-Q509 PolarHBondContact O-N 3.45Å
510	Y	71.8	Confident	69.9	Low	178 Å²	178	72.5 Å²	72.5	70%	0.698	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-11.9	179.6	-60.6	-68.5	0	0	0	113.9	N508	N508-Y510 PolarHBondContact O-N 3.2Å
511	F	76.8	Confident	69.1	Low	125 Å²	125	71.1 Å²	71.1	55%	0.548	35%	0.353	S	S	.	.			trans	-102.6	102.8	-176.9	-175.5	-126.9	0	0	0	111.4	N508 K513	N508-F511 PolarHBondContact O-N 2.95Å; F511-K513 VanDerWaalsContact CE1-CE 3.44Å
512	C	78.2	Confident	68.4	Low	22 Å²	22	70.9 Å²	70.9	15%	0.149	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	139.1	-176	-58.8	0	0	0	0	113.2	C489 F492 W502 C503	C489-C512 HydrophobicContact CB-CB 3.67Å; C489-C512 WeakPolarHBondContact CB-SG 3.48Å; C489-C512 WeakPolarHBondContact SG-CB 3.16Å; C489-C512 CovalentContact SG-SG 2.02Å; C489-C512 PolarHBondContact SG-SG 3.38Å; F492-C512 HydrophobicContact CE1-CB 4.13Å; W502-C512 HydrophobicContact CE3-CB 4.44Å; C503-C512 CarbonylContact O-C 3.21Å; C503-C512 VanDerWaalsContact O-CA 3.26Å; C503-C512 WeakPolarHBondContact O-CA 3.25Å
513	K	68.3	Low	68.2	Low	77 Å²	77	67.2 Å²	67.2	34%	0.335	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	163.3	178.6	-68	174.4	-178.7	165.1	0	110.5	F482 Y486 W502 C503 F511	F482-K513 HydrophobicContact CD1-CB 4.48Å; F482-K513 HydrophobicContact CD1-CD 4.46Å; F482-K513 HydrophobicContact CE1-CB 3.95Å; F482-K513 HydrophobicContact CE1-CD 4.42Å; F482-K513 HydrophobicContact CZ-CB 4.09Å; Y486-K513 HydrophobicContact CE1-CD 4.46Å; Y486-K513 PolarHBondContact OH-NZ 2.86Å; Y486-K513 VanDerWaalsContact OH-NZ 3.17Å; W502-K513 CarbonylContact C-O 3.51Å; W502-K513 WeakPolarHBondContact CA-O 3.31Å; C503-K513 PolarHBondContact N-O 2.82Å; C503-K513 PolarHBondContact O-N 3.2Å; F511-K513 VanDerWaalsContact CE1-CE 3.44Å
514	T	66	Low	67.5	Low	42 Å²	42	72.8 Å²	72.8	26%	0.258	37%	0.365	S	S	.	.			trans	-152.4	142.9	177.9	-178.3	0	0	0	0	110.1	Q500 L501 W502	Q500-T514 WeakPolarHBondContact CG-OG1 3.42Å; Q500-T514 VanDerWaalsContact NE2-CG2 3.26Å; Q500-T514 PolarHBondContact NE2-OG1 2.93Å; L501-T514 VanDerWaalsContact O-CB 3.26Å; L501-T514 WeakPolarHBondContact O-CB 3.42Å; L501-T514 PolarHBondContact O-OG1 2.91Å; W502-T514 HydrophobicContact CD2-CG2 4.03Å; W502-T514 HydrophobicContact CE3-CG2 3.75Å; W502-T514 HydrophobicContact CH2-CG2 3.48Å; W502-T514 VanDerWaalsContact CH2-CG2 3.48Å; W502-T514 HydrophobicContact CZ2-CG2 3.75Å; W502-T514 HydrophobicContact CZ3-CG2 3.47Å; W502-T514 VanDerWaalsContact CZ3-CG2 3.47Å
515	K	51.4	Low	67.1	Low	102 Å²	102	73.8 Å²	73.8	44%	0.443	37%	0.372	S	S	.	.			trans	-93.3	156.9	161.2	-87.7	160.5	160.4	176.3	0	107.5	D481 F482 G517	D481-K515 HydrophobicContact CB-CD 4.08Å; D481-K515 WeakPolarHBondContact O-CE 3.46Å; D481-K515 PolarHBondContact O-NZ 2.92Å; D481-K515 WeakPolarHBondContact OD1-CD 3.38Å; D481-K515 WeakPolarHBondContact OD1-CE 3.31Å; D481-K515 IonicContact OD1-NZ 2.57Å; D481-K515 PolarHBondContact OD1-NZ 2.97Å; D481-K515 WeakPolarHBondContact OD2-CD 3.46Å; F482-K515 HydrophobicContact CZ-CB 4.39Å; F482-K515 HydrophobicContact CZ-CD 4.22Å; F482-K515 HydrophobicContact CZ-CG 3.95Å; K515-G517 PolarHBondContact O-N 2.94Å
516	K	42.3	Very low	66.4	Low	216 Å²	216	73.2 Å²	73.2	94%	0.939	38%	0.376	S	S	*	.	S	Bend	trans	-77	66.8	-173.7	-71.4	-172.1	175.3	-177.7	0	112.5
517	G	49.1	Very low	66.1	Low	30 Å²	30	75.9 Å²	75.9	31%	0.309	39%	0.393	S	S	.	.			trans	-153.9	151.8	176.5	0	0	0	0	0	113.8	L501 K515	L501-G517 PolarHBondContact N-O 3.02Å; K515-G517 PolarHBondContact O-N 2.94Å
518	P	59.8	Low	65.2	Low	73 Å²	73	71 Å²	71	47%	0.474	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-73.6	161.9	163.8	33.8	-34.7	0	0	0	111.1	C498	C498-P518 WeakPolarHBondContact O-CB 3.27Å
519	P	71.2	Confident	65.3	Low	1 Å²	1	69.1 Å²	69.1	1%	0.006	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-60.2	152.8	164.9	-14	28.3	0	0	0	111.4	M474 Q477 C498 L501 T523	M474-P519 HydrophobicContact CE-CG 3.74Å; M474-P519 HydrophobicContact SD-CB 3.65Å; M474-P519 HydrophobicContact SD-CG 3.42Å; M474-P519 WeakPolarHBondContact SD-CG 3.31Å; Q477-P519 VanDerWaalsContact OE1-CA 3.25Å; C498-P519 VanDerWaalsContact O-CD 3.31Å; C498-P519 WeakPolarHBondContact O-CD 3.36Å; L501-P519 HydrophobicContact CB-CG 4.16Å; L501-P519 HydrophobicContact CD1-CG 4.31Å; P519-T523 HydrophobicContact CB-CG2 4.1Å
520	V	62.8	Low	65.8	Low	65 Å²	65	67.3 Å²	67.3	39%	0.394	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-68.6	150.8	-173.7	-67.8	0	0	0	0	113.8	G522 T523	V520-G522 PolarHBondContact O-N 2.69Å; V520-T523 PolarHBondContact N-OG1 2.97Å; V520-T523 WeakPolarHBondContact O-CB 3.44Å; V520-T523 PolarHBondContact O-N 3.48Å; V520-T523 PolarHBondContact O-OG1 3.23Å
521	D	56.8	Low	65.7	Low	36 Å²	36	58.8 Å²	58.8	19%	0.193	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	98	-176.1	-87.1	14.2	0	0	0	111.9	L467 P468 G469 C531 F532 K533	L467-D521 HydrophobicContact CD2-CB 4.45Å; P468-D521 WeakPolarHBondContact CD-O 2.96Å; G469-D521 WeakPolarHBondContact CA-O 3.28Å; G469-D521 PolarHBondContact N-O 3.38Å; D521-C531 CarbonylContact C-O 3.52Å; D521-C531 WeakPolarHBondContact CA-O 3.49Å; D521-F532 HydrophobicContact CB-CD2 4.07Å; D521-F532 VanDerWaalsContact OD2-CD2 3.24Å; D521-F532 WeakPolarHBondContact OD2-CD2 3.16Å; D521-F532 WeakPolarHBondContact OD2-CE2 3.34Å; D521-K533 WeakPolarHBondContact OD1-CA 3.42Å; D521-K533 PolarHBondContact OD1-N 2.83Å; D521-K533 VanDerWaalsContact OD2-CG 3.31Å; D521-K533 WeakPolarHBondContact OD2-CG 3.49Å; D521-K533 PolarHBondContact OD2-N 3.19Å
522	G	63.4	Low	65.1	Low	5 Å²	5	55.9 Å²	55.9	5%	0.052	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	138	-12.2	179.2	0	0	0	0	0	114.2	G469 V520 W530 C531	G469-G522 VanDerWaalsContact C-CA 3.47Å; G469-G522 CarbonylContact C-O 3.54Å; G469-G522 CarbonylContact O-C 3.57Å; V520-G522 PolarHBondContact O-N 2.69Å; G522-W530 VanDerWaalsContact CA-CE3 3.41Å; G522-W530 VanDerWaalsContact O-CB 3.31Å; G522-W530 WeakPolarHBondContact O-CB 3.43Å; G522-C531 PolarHBondContact N-O 3.23Å
523	T	76.2	Confident	64	Low	0 Å²	0	62.4 Å²	62.4	0%	0	33%	0.331	C	S	.	.			trans	-58.4	129.1	-177.6	-54.1	0	0	0	0	112.2	G469 Y472 M474 Q477 P519 V520 C525 W530 C531	G469-T523 WeakPolarHBondContact O-CA 3.48Å; G469-T523 PolarHBondContact O-N 3.42Å; Y472-T523 WeakPolarHBondContact O-CG2 3.46Å; M474-T523 HydrophobicContact CG-CG2 3.73Å; M474-T523 HydrophobicContact SD-CG2 3.49Å; M474-T523 WeakPolarHBondContact SD-CG2 3.29Å; Q477-T523 VanDerWaalsContact NE2-CG2 3.27Å; Q477-T523 PolarHBondContact NE2-OG1 2.68Å; P519-T523 HydrophobicContact CB-CG2 4.1Å; V520-T523 PolarHBondContact N-OG1 2.97Å; V520-T523 WeakPolarHBondContact O-CB 3.44Å; V520-T523 PolarHBondContact O-N 3.48Å; V520-T523 PolarHBondContact O-OG1 3.23Å; T523-C525 PolarHBondContact O-N 3.49Å; T523-W530 CarbonylContact O-C 3.48Å; T523-W530 VanDerWaalsContact O-CA 3.22Å; T523-W530 WeakPolarHBondContact O-CA 3.43Å; T523-C531 PolarHBondContact O-N 2.59Å
524	E	70.6	Confident	63.3	Low	116 Å²	116	59.2 Å²	59.2	54%	0.542	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	127	173	-177	155.2	-139.2	0	0	111.7	P527 G528 K529	E524-P527 WeakPolarHBondContact OE1-CA 3.43Å; E524-G528 PolarHBondContact OE1-N 3.4Å; E524-K529 WeakPolarHBondContact CA-O 2.96Å
525	C	76.2	Confident	63.1	Low	22 Å²	22	61.8 Å²	61.8	15%	0.149	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	-19.7	-169.6	53.9	0	0	0	0	113.8	P497 C498 T523 K529 C531 C536	P497-C525 HydrophobicContact CG-CB 4.41Å; C498-C525 WeakPolarHBondContact SG-CB 2.95Å; C498-C525 VanDerWaalsContact SG-SG 3.62Å; T523-C525 PolarHBondContact O-N 3.49Å; C525-K529 PolarHBondContact N-O 2.94Å; C525-K529 VanDerWaalsContact SG-C 3.55Å; C525-K529 PolarHBondContact SG-O 3.49Å; C525-C531 VanDerWaalsContact CB-SG 3.6Å; C525-C536 HydrophobicContact CB-CB 3.95Å; C525-C536 WeakPolarHBondContact CB-SG 3.39Å; C525-C536 WeakPolarHBondContact SG-CA 3.12Å; C525-C536 WeakPolarHBondContact SG-CB 3.2Å; C525-C536 CovalentContact SG-SG 2.03Å; C525-C536 PolarHBondContact SG-SG 3.04Å
526	A	70	Confident	64.3	Low	37 Å²	37	58.5 Å²	58.5	31%	0.306	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	154.6	166	0	0	0	0	0	107	G528 K529	A526-G528 PolarHBondContact O-N 3.38Å; A526-G528 VanDerWaalsContact O-N 3.14Å; A526-K529 HydrophobicContact CB-CB 4.49Å; A526-K529 HydrophobicContact CB-CD 4.36Å; A526-K529 WeakPolarHBondContact O-CA 3.16Å; A526-K529 WeakPolarHBondContact O-CB 3.34Å; A526-K529 PolarHBondContact O-N 2.03Å
527	P	65.5	Low	65.3	Low	118 Å²	118	51.7 Å²	51.7	77%	0.766	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	119.7	-173.7	-30.8	36.7	0	0	0	114.1	E524 W538	E524-P527 WeakPolarHBondContact OE1-CA 3.43Å; P527-W538 WeakPolarHBondContact O-CZ3 3.46Å
528	G	58.1	Low	65.9	Low	33 Å²	33	58.8 Å²	58.8	34%	0.34	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.9	5.9	-176.8	0	0	0	0	0	115.2	E524 A526 K539	E524-G528 PolarHBondContact OE1-N 3.4Å; A526-G528 PolarHBondContact O-N 3.38Å; A526-G528 VanDerWaalsContact O-N 3.14Å; G528-K539 PolarHBondContact O-N 2.82Å; G528-K539 VanDerWaalsContact O-N 3.15Å
529	K	72.8	Confident	65.4	Low	61 Å²	61	62.2 Å²	62.2	27%	0.265	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	136.1	-178.4	-61.6	-175.5	-175.2	174.8	0	113.2	E524 C525 A526 C536 I537 W538	E524-K529 WeakPolarHBondContact CA-O 2.96Å; C525-K529 PolarHBondContact N-O 2.94Å; C525-K529 VanDerWaalsContact SG-C 3.55Å; C525-K529 PolarHBondContact SG-O 3.49Å; A526-K529 HydrophobicContact CB-CB 4.49Å; A526-K529 HydrophobicContact CB-CD 4.36Å; A526-K529 WeakPolarHBondContact O-CA 3.16Å; A526-K529 WeakPolarHBondContact O-CB 3.34Å; A526-K529 PolarHBondContact O-N 2.03Å; K529-C536 VanDerWaalsContact CB-SG 3.59Å; K529-I537 CarbonylContact C-O 3.57Å; K529-I537 WeakPolarHBondContact CA-O 3.49Å; K529-I537 VanDerWaalsContact CB-O 3.23Å; K529-I537 WeakPolarHBondContact CB-O 3.15Å; K529-W538 HydrophobicContact CD-CD2 4.33Å; K529-W538 HydrophobicContact CG-CD2 3.69Å; K529-W538 HydrophobicContact CG-CE3 3.68Å; K529-W538 HydrophobicContact CG-CG 4.12Å; K529-W538 HydrophobicContact CG-CZ3 4.09Å
530	W	74.4	Confident	64.2	Low	54 Å²	54	67.8 Å²	67.8	21%	0.205	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	152.3	173.9	65.6	-6.3	0	0	0	113.3	L467 I470 G522 T523 C536 I537	L467-W530 HydrophobicContact CB-CH2 4.42Å; L467-W530 HydrophobicContact CB-CZ3 4.39Å; L467-W530 HydrophobicContact CD1-CH2 3.82Å; L467-W530 HydrophobicContact CD1-CZ2 4.36Å; I470-W530 HydrophobicContact CD1-CE3 4.38Å; I470-W530 HydrophobicContact CD1-CZ3 3.8Å; I470-W530 HydrophobicContact CG1-CE3 3.83Å; I470-W530 HydrophobicContact CG1-CZ3 3.66Å; G522-W530 VanDerWaalsContact CA-CE3 3.41Å; G522-W530 VanDerWaalsContact O-CB 3.31Å; G522-W530 WeakPolarHBondContact O-CB 3.43Å; T523-W530 CarbonylContact O-C 3.48Å; T523-W530 VanDerWaalsContact O-CA 3.22Å; T523-W530 WeakPolarHBondContact O-CA 3.43Å; W530-C536 WeakPolarHBondContact O-CA 3.17Å; W530-I537 VanDerWaalsContact CD1-CG1 3.48Å; W530-I537 VanDerWaalsContact CD1-O 3.29Å; W530-I537 PolarHBondContact N-O 3.49Å; W530-I537 PolarHBondContact O-N 2.82Å
531	C	69.8	Low	63.2	Low	0 Å²	0	70.3 Å²	70.3	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	129	165.8	-66.1	0	0	0	0	109.5	C498 D521 G522 T523 C525 H535	C498-C531 VanDerWaalsContact CA-SG 3.51Å; C498-C531 HydrophobicContact CB-CB 3.79Å; C498-C531 WeakPolarHBondContact CB-SG 3.43Å; C498-C531 WeakPolarHBondContact SG-CA 3.49Å; C498-C531 WeakPolarHBondContact SG-CB 3.26Å; C498-C531 CovalentContact SG-SG 2.04Å; C498-C531 PolarHBondContact SG-SG 2.85Å; D521-C531 CarbonylContact C-O 3.52Å; D521-C531 WeakPolarHBondContact CA-O 3.49Å; G522-C531 PolarHBondContact N-O 3.23Å; T523-C531 PolarHBondContact O-N 2.59Å; C525-C531 VanDerWaalsContact CB-SG 3.6Å; C531-H535 CarbonylContact C-O 3.59Å; C531-H535 WeakPolarHBondContact CA-O 3.28Å
532	F	64.3	Low	62.3	Low	64 Å²	64	77.6 Å²	77.6	28%	0.281	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	125.9	168.9	-176.3	-122.8	0	0	0	109.5	L467 D521 G534 H535 I537	L467-F532 HydrophobicContact CD1-CD2 3.76Å; L467-F532 HydrophobicContact CD1-CE2 3.36Å; L467-F532 HydrophobicContact CD1-CZ 4.14Å; L467-F532 HydrophobicContact CD2-CE2 3.92Å; L467-F532 HydrophobicContact CG-CE2 4.3Å; D521-F532 HydrophobicContact CB-CD2 4.07Å; D521-F532 VanDerWaalsContact OD2-CD2 3.24Å; D521-F532 WeakPolarHBondContact OD2-CD2 3.16Å; D521-F532 WeakPolarHBondContact OD2-CE2 3.34Å; F532-G534 PolarHBondContact O-N 3.21Å; F532-H535 PolarHBondContact N-O 2.69Å; F532-H535 PolarHBondContact O-N 2.98Å; F532-I537 HydrophobicContact CB-CD1 3.75Å; F532-I537 HydrophobicContact CB-CG1 4.16Å; F532-I537 HydrophobicContact CD1-CD1 3.91Å; F532-I537 HydrophobicContact CG-CD1 4.24Å
533	K	54.2	Low	61.2	Low	159 Å²	159	83.6 Å²	83.6	69%	0.691	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	44	42.7	-169.9	-59.4	-171.9	178.9	-177.1	0	113.2	D521	D521-K533 WeakPolarHBondContact OD1-CA 3.42Å; D521-K533 PolarHBondContact OD1-N 2.83Å; D521-K533 VanDerWaalsContact OD2-CG 3.31Å; D521-K533 WeakPolarHBondContact OD2-CG 3.49Å; D521-K533 PolarHBondContact OD2-N 3.19Å
534	G	54.5	Low	59.5	Low	9 Å²	9	89.2 Å²	89.2	9%	0.093	46%	0.464	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.3	16.5	179.1	0	0	0	0	0	116.2	C498 K499 F532	C498-G534 CarbonylContact C-O 3.52Å; C498-G534 VanDerWaalsContact C-O 3.26Å; C498-G534 VanDerWaalsContact CB-O 3.29Å; C498-G534 WeakPolarHBondContact CB-O 3.09Å; C498-G534 CarbonylContact O-C 3.59Å; C498-G534 VanDerWaalsContact O-CA 3.25Å; C498-G534 WeakPolarHBondContact O-CA 3.31Å; K499-G534 PolarHBondContact N-O 2.85Å; F532-G534 PolarHBondContact O-N 3.21Å
535	H	62	Low	58.1	Low	96 Å²	96	91.5 Å²	91.5	44%	0.444	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	143	-179.2	-64.6	-43.5	0	0	0	114	D496 C531 F532 I537	D496-H535 IonicContact OD2-ND1 3.17Å; D496-H535 PolarHBondContact OD2-ND1 3.15Å; C531-H535 CarbonylContact C-O 3.59Å; C531-H535 WeakPolarHBondContact CA-O 3.28Å; F532-H535 PolarHBondContact N-O 2.69Å; F532-H535 PolarHBondContact O-N 2.98Å; H535-I537 PolarHBondContact O-N 2.86Å
536	C	76.4	Confident	56.6	Low	34 Å²	34	92.1 Å²	92.1	23%	0.23	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	104.6	-173.7	-167.7	0	0	0	0	113.5	C525 K529 W530	C525-C536 HydrophobicContact CB-CB 3.95Å; C525-C536 WeakPolarHBondContact CB-SG 3.39Å; C525-C536 WeakPolarHBondContact SG-CA 3.12Å; C525-C536 WeakPolarHBondContact SG-CB 3.2Å; C525-C536 CovalentContact SG-SG 2.03Å; C525-C536 PolarHBondContact SG-SG 3.04Å; K529-C536 VanDerWaalsContact CB-SG 3.59Å; W530-C536 WeakPolarHBondContact O-CA 3.17Å
537	I	63.1	Low	55.9	Low	73 Å²	73	93.3 Å²	93.3	37%	0.374	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	161.4	-172.5	71.5	174.9	0	0	0	113.1	K529 W530 F532 H535	K529-I537 CarbonylContact C-O 3.57Å; K529-I537 WeakPolarHBondContact CA-O 3.49Å; K529-I537 VanDerWaalsContact CB-O 3.23Å; K529-I537 WeakPolarHBondContact CB-O 3.15Å; W530-I537 VanDerWaalsContact CD1-CG1 3.48Å; W530-I537 VanDerWaalsContact CD1-O 3.29Å; W530-I537 PolarHBondContact N-O 3.49Å; W530-I537 PolarHBondContact O-N 2.82Å; F532-I537 HydrophobicContact CB-CD1 3.75Å; F532-I537 HydrophobicContact CB-CG1 4.16Å; F532-I537 HydrophobicContact CD1-CD1 3.91Å; F532-I537 HydrophobicContact CG-CD1 4.24Å; H535-I537 PolarHBondContact O-N 2.86Å
538	W	61.8	Low	55.9	Low	178 Å²	178	90.4 Å²	90.4	67%	0.674	46%	0.462	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.3	154.1	-174.1	-64.7	102.9	0	0	0	115	P527 K529	P527-W538 WeakPolarHBondContact O-CZ3 3.46Å; K529-W538 HydrophobicContact CD-CD2 4.33Å; K529-W538 HydrophobicContact CG-CD2 3.69Å; K529-W538 HydrophobicContact CG-CE3 3.68Å; K529-W538 HydrophobicContact CG-CG 4.12Å; K529-W538 HydrophobicContact CG-CZ3 4.09Å
539	K	49.5	Very low	56.6	Low	146 Å²	146	89.1 Å²	89.1	64%	0.635	45%	0.449	S	S	*	.			trans	-93.4	142	176.2	-168.7	172.4	-176.7	172.8	0	112	G528	G528-K539 PolarHBondContact O-N 2.82Å; G528-K539 VanDerWaalsContact O-N 3.15Å
540	S	45.5	Very low	57	Low	118 Å²	118	90.3 Å²	90.3	83%	0.825	46%	0.458	S	S	*	.			trans	-148.8	146.7	179.6	62	0	0	0	0	111.8
541	S	41.4	Very low	57.6	Low	118 Å²	118	89.6 Å²	89.6	83%	0.825	46%	0.456	S	S	*	.			trans	-147.2	35.6	-154.2	68.2	0	0	0	0	117.5
542	Q	39.8	Very low	58.3	Low	188 Å²	188	89.8 Å²	89.8	88%	0.879	46%	0.458	S	S	*	.			trans	-151.8	89	-177.8	-156.7	166.6	30.8	0	0	116.7
543	E	39.3	Very low	59.3	Low	131 Å²	131	92 Å²	92	61%	0.612	48%	0.482	S	S	*	.			trans	-171.6	160	144.5	-110.1	173.3	-155.2	0	0	107.1	Y582	E543-Y582 HydrophobicContact CB-CE1 4.11Å; E543-Y582 HydrophobicContact CB-CE2 3.65Å; E543-Y582 WeakPolarHBondContact CB-OH 3.47Å; E543-Y582 VanDerWaalsContact O-CD1 3.3Å; E543-Y582 WeakPolarHBondContact O-CD1 3.12Å; E543-Y582 WeakPolarHBondContact O-CE1 3.32Å
544	L	40.4	Very low	61	Low	118 Å²	118	88.1 Å²	88.1	62%	0.618	46%	0.463	S	S	*	.			trans	-151.7	29.9	-163.3	-111.3	176.1	0	0	0	116.6
545	Q	42.2	Very low	62.6	Low	165 Å²	165	90 Å²	90	77%	0.771	47%	0.474	S	S	*	.			trans	-130.5	110	169.7	-89.4	-170.6	-14.9	0	0	111.7	H547 Y582	Q545-H547 VanDerWaalsContact C-N 3.31Å; Q545-H547 PolarHBondContact O-N 3.46Å; Q545-H547 PolarHBondContact O-ND1 3.02Å; Q545-Y582 WeakPolarHBondContact O-CD2 3.28Å
546	G	43.9	Very low	63.8	Low	35 Å²	35	95 Å²	95	36%	0.361	50%	0.495	S	S	.	.			trans	-73.6	75	-174	0	0	0	0	0	114.3	A581 Y582	G546-A581 VanDerWaalsContact CA-O 3.23Å; G546-A581 WeakPolarHBondContact CA-O 3.5Å; G546-Y582 WeakPolarHBondContact CA-O 3.27Å
547	H	54.6	Low	64.4	Low	61 Å²	61	96.4 Å²	96.4	28%	0.282	50%	0.495	S	S	.	.	P	Polyproline II helix	trans	-69	128	172.3	46.3	-90	0	0	0	110.2	Q545 G549 P578 P579 G584	Q545-H547 VanDerWaalsContact C-N 3.31Å; Q545-H547 PolarHBondContact O-N 3.46Å; Q545-H547 PolarHBondContact O-ND1 3.02Å; H547-G549 PolarHBondContact O-N 2.73Å; H547-P578 HydrophobicContact CB-CG 4.44Å; H547-P578 VanDerWaalsContact CD2-CG 3.47Å; H547-P578 WeakPolarHBondContact CD2-CG 3.48Å; H547-P579 PolarHBondContact CD2-O 3.18Å; H547-P579 PolarHBondContact NE2-O 2.75Å; H547-G584 WeakPolarHBondContact O-CA 3.39Å
548	D	65.6	Low	65.6	Low	57 Å²	57	94.9 Å²	94.9	31%	0.305	50%	0.498	S	S	.	.	P	Polyproline II helix	trans	-59.7	134.1	169.3	-71.2	-11.3	0	0	0	108.6	K463 G584 R585	K463-D548 IonicContact NZ-OD1 2.78Å; K463-D548 PolarHBondContact NZ-OD1 2.97Å; D548-G584 WeakPolarHBondContact OD1-CA 3.24Å; D548-R585 HydrophobicContact CB-CB 4.27Å; D548-R585 PolarHBondContact OD1-N 2.9Å; D548-R585 IonicContact OD1-NE 3.91Å; D548-R585 IonicContact OD2-CZ 2.68Å; D548-R585 IonicContact OD2-NE 3.11Å; D548-R585 PolarHBondContact OD2-NE 2.69Å; D548-R585 IonicContact OD2-NH2 3.59Å; D548-R585 PolarHBondContact OD2-NH2 2.89Å
549	G	72.9	Confident	66.9	Low	6 Å²	6	92.2 Å²	92.2	6%	0.062	51%	0.506	C	S	.	.	P	Polyproline II helix	trans	-66.5	139	-174.5	0	0	0	0	0	111.2	H547 C575 P578 R585 C587	H547-G549 PolarHBondContact O-N 2.73Å; G549-C575 VanDerWaalsContact C-SG 3.59Å; G549-C575 VanDerWaalsContact CA-SG 3.55Å; G549-P578 WeakPolarHBondContact CA-O 3.1Å; G549-R585 PolarHBondContact N-O 2.8Å; G549-C587 PolarHBondContact O-SG 2.95Å
550	N	80.7	Confident	68.9	Low	86 Å²	86	86.6 Å²	86.6	46%	0.46	49%	0.485	S	S	.	.			trans	-121.5	150.8	174.7	177.4	54.1	0	0	0	111.4	G552 N576 D577 P578 C587	N550-G552 PolarHBondContact O-N 2.78Å; N550-N576 PolarHBondContact O-N 2.99Å; N550-D577 WeakPolarHBondContact CB-O 3.03Å; N550-D577 PolarHBondContact ND2-O 3.04Å; N550-D577 PolarHBondContact O-N 3.02Å; N550-P578 PolarHBondContact N-O 2.99Å; N550-C587 WeakPolarHBondContact CA-SG 3.42Å; N550-C587 PolarHBondContact N-SG 2.94Å; N550-C587 VanDerWaalsContact N-SG 3.39Å; N550-C587 PolarHBondContact O-SG 3.18Å
551	W	88	Confident	71.1	Confident	39 Å²	39	82.6 Å²	82.6	15%	0.148	46%	0.457	C	S	.	.	B	Isolated β-bridge	trans	-71.9	116.9	-168.3	-78.7	124.3	0	0	0	111.7	R573 C575 C587 P588 S590 A591	W551-R573 VanDerWaalsContact CD1-CZ 3.44Å; W551-R573 HydrophobicContact CD2-CG 3.87Å; W551-R573 VanDerWaalsContact CE2-NE 3.28Å; W551-R573 HydrophobicContact CE3-CB 4.17Å; W551-R573 VanDerWaalsContact CE3-CD 3.41Å; W551-R573 HydrophobicContact CE3-CG 3.38Å; W551-R573 HydrophobicContact CH2-CG 4.49Å; W551-R573 HydrophobicContact CZ3-CG 3.75Å; W551-R573 VanDerWaalsContact NE1-CZ 3.28Å; W551-C575 HydrophobicContact CE3-CB 4.2Å; W551-C575 HydrophobicContact CZ3-CB 3.92Å; W551-C587 HydrophobicContact CD2-CB 3.33Å; W551-C587 HydrophobicContact CE3-CB 3.65Å; W551-C587 HydrophobicContact CG-CB 3.93Å; W551-C587 HydrophobicContact CH2-CB 3.61Å; W551-C587 HydrophobicContact CZ2-CB 3.31Å; W551-C587 WeakPolarHBondContact CZ2-O 3.18Å; W551-C587 HydrophobicContact CZ3-CB 3.78Å; W551-C587 PolarHBondContact N-SG 2.03Å; W551-C587 VanDerWaalsContact N-SG 3.45Å; W551-P588 PolarHBondContact NE1-O 2.93Å; W551-S590 WeakPolarHBondContact CZ2-O 3.26Å; W551-A591 HydrophobicContact CH2-CB 3.69Å; W551-A591 HydrophobicContact CZ3-CB 3.95Å
552	G	84	Confident	73.4	Confident	4 Å²	4	79 Å²	79	4%	0.041	43%	0.425	C	S	.	.	P	Polyproline II helix	trans	-62.9	159.2	169.4	0	0	0	0	0	112.6	N550 W554 Q574 N576 D577	N550-G552 PolarHBondContact O-N 2.78Å; G552-W554 PolarHBondContact O-N 3.14Å; G552-W554 VanDerWaalsContact O-N 3.17Å; G552-Q574 PolarHBondContact N-O 3.32Å; G552-N576 WeakPolarHBondContact CA-OD1 3.04Å; G552-D577 VanDerWaalsContact CA-CB 3.46Å
553	S	86.2	Confident	75.7	Confident	112 Å²	112	75.9 Å²	75.9	78%	0.783	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-48.1	123.6	175.5	-76.1	0	0	0	0	111	S555	S553-S555 PolarHBondContact O-N 3.05Å
554	W	88.5	Confident	78	Confident	77 Å²	77	70.8 Å²	70.8	29%	0.292	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-47.1	131.6	173.5	-80	115.1	0	0	0	111.3	G552 R571 R573 D593	G552-W554 PolarHBondContact O-N 3.14Å; G552-W554 VanDerWaalsContact O-N 3.17Å; W554-R571 HydrophobicContact CD2-CG 4.09Å; W554-R571 HydrophobicContact CE3-CB 4.19Å; W554-R571 HydrophobicContact CE3-CG 3.53Å; W554-R571 HydrophobicContact CZ3-CG 3.95Å; W554-R571 VanDerWaalsContact CZ3-O 3.31Å; W554-R571 WeakPolarHBondContact CZ3-O 3.32Å; W554-R573 HydrophobicContact CD2-CB 3.98Å; W554-R573 HydrophobicContact CD2-CG 4.15Å; W554-R573 HydrophobicContact CE3-CB 3.54Å; W554-R573 HydrophobicContact CE3-CG 3.67Å; W554-R573 HydrophobicContact CH2-CB 4.41Å; W554-R573 VanDerWaalsContact CH2-CD 3.43Å; W554-R573 HydrophobicContact CH2-CG 3.59Å; W554-R573 VanDerWaalsContact CZ2-CD 3.42Å; W554-R573 HydrophobicContact CZ2-CG 4.1Å; W554-R573 HydrophobicContact CZ3-CB 3.79Å; W554-R573 HydrophobicContact CZ3-CG 3.37Å; W554-D593 HydrophobicContact CE3-CB 4.3Å; W554-D593 HydrophobicContact CH2-CB 3.17Å; W554-D593 HydrophobicContact CZ2-CB 3.53Å; W554-D593 HydrophobicContact CZ3-CB 3.59Å
555	S	89	Confident	80	Confident	48 Å²	48	66.7 Å²	66.7	34%	0.336	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-57.5	156.4	166.1	59.1	0	0	0	0	110.7	S553 Y557 R571 S572	S553-S555 PolarHBondContact O-N 3.05Å; S555-Y557 PolarHBondContact O-N 3.14Å; S555-R571 WeakPolarHBondContact O-CB 3.49Å; S555-S572 VanDerWaalsContact CB-O 3.28Å; S555-S572 WeakPolarHBondContact CB-O 3.42Å; S555-S572 PolarHBondContact N-O 3.07Å; S555-S572 PolarHBondContact OG-N 2.95Å; S555-S572 PolarHBondContact OG-O 2.99Å; S555-S572 PolarHBondContact OG-OG 3.1Å
556	K	86.8	Confident	82.2	Confident	202 Å²	202	59.3 Å²	59.3	88%	0.878	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-59.1	133.4	163.9	-64.1	177.2	-177.7	175.2	0	107.2	G558	K556-G558 PolarHBondContact O-N 3Å
557	Y	89.4	Confident	84.3	Confident	62 Å²	62	57.6 Å²	57.6	24%	0.243	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-47.1	136.1	172.7	-73.6	-76.8	0	0	0	110.4	S555 R569 R571 D593 Q595	S555-Y557 PolarHBondContact O-N 3.14Å; Y557-R569 HydrophobicContact CD1-CB 4.31Å; Y557-R569 HydrophobicContact CD1-CG 3.68Å; Y557-R569 HydrophobicContact CE1-CG 4.33Å; Y557-R569 HydrophobicContact CG-CG 3.97Å; Y557-R571 HydrophobicContact CD1-CB 3.69Å; Y557-R571 HydrophobicContact CD1-CG 3.64Å; Y557-R571 HydrophobicContact CE1-CB 4.05Å; Y557-R571 HydrophobicContact CE1-CG 3.44Å; Y557-R571 VanDerWaalsContact CE1-CG 3.44Å; Y557-R571 HydrophobicContact CG-CB 4.13Å; Y557-R571 HydrophobicContact CG-CG 4.31Å; Y557-R571 VanDerWaalsContact CZ-CD 3.46Å; Y557-R571 VanDerWaalsContact CZ-NE 3.31Å; Y557-R571 VanDerWaalsContact OH-CZ 3.28Å; Y557-R571 PolarHBondContact OH-NE 2.93Å; Y557-R571 VanDerWaalsContact OH-NE 3.13Å; Y557-R571 PolarHBondContact OH-NH2 3.24Å; Y557-D593 PolarHBondContact OH-OD2 3.1Å; Y557-Q595 HydrophobicContact CD1-CB 4.43Å; Y557-Q595 HydrophobicContact CE1-CB 3.62Å
558	G	87.8	Confident	86.1	Confident	42 Å²	42	54.8 Å²	54.8	43%	0.433	32%	0.323	S	S	.	.			trans	-64.2	176.6	174.1	0	0	0	0	0	112.3	K556 C560 S570	K556-G558 PolarHBondContact O-N 3Å; G558-C560 PolarHBondContact O-N 3.41Å; G558-S570 PolarHBondContact N-O 3.09Å
559	S	88.9	Confident	87.3	Confident	121 Å²	121	56.2 Å²	56.2	85%	0.846	32%	0.324	S	S	*	.			trans	-51.5	138.9	164.1	-58.4	0	0	0	0	109.8
560	C	91.9	Very high	88.1	Confident	28 Å²	28	57.8 Å²	57.8	19%	0.189	33%	0.334	C	S	.	.			trans	-60.2	138.1	173.5	-165.3	0	0	0	0	110	G558 R562 C597 N598	G558-C560 PolarHBondContact O-N 3.41Å; C560-R562 WeakPolarHBondContact CB-O 3.46Å; C560-R562 PolarHBondContact O-N 3.46Å; C560-R562 PolarHBondContact SG-O 2.96Å; C560-C597 VanDerWaalsContact CA-SG 3.51Å; C560-C597 HydrophobicContact CB-CB 3.89Å; C560-C597 WeakPolarHBondContact CB-SG 3.01Å; C560-C597 WeakPolarHBondContact SG-CB 3.42Å; C560-C597 PolarHBondContact SG-O 3.19Å; C560-C597 CovalentContact SG-SG 2.02Å; C560-C597 PolarHBondContact SG-SG 3.3Å; C560-N598 VanDerWaalsContact CB-ND2 3.32Å; C560-N598 WeakPolarHBondContact CB-ND2 3.33Å
561	S	92.4	Very high	88.5	Confident	34 Å²	34	56.7 Å²	56.7	24%	0.238	32%	0.323	C	S	.	.	S	Bend	trans	-60.3	-27.3	-178.6	69.4	0	0	0	0	113.2	V568 H661 D662	S561-V568 VanDerWaalsContact CB-O 3.26Å; S561-V568 WeakPolarHBondContact CB-O 3.48Å; S561-V568 PolarHBondContact N-O 3.48Å; S561-V568 PolarHBondContact OG-N 2.91Å; S561-V568 PolarHBondContact OG-O 3.05Å; S561-H661 PolarHBondContact O-CE1 3.41Å; S561-H661 VanDerWaalsContact O-CE1 3.28Å; S561-D662 WeakPolarHBondContact CB-O 3.32Å; S561-D662 PolarHBondContact OG-O 3.03Å
562	R	88.5	Confident	88.4	Confident	42 Å²	42	57 Å²	57	16%	0.158	33%	0.331	C	S	.	.	S	Bend	trans	-129.3	148.3	177.9	-60.9	172.5	66.9	-148	-3.8	109.7	C560 C564 G565 G566 N598 F609 G663	C560-R562 WeakPolarHBondContact CB-O 3.46Å; C560-R562 PolarHBondContact O-N 3.46Å; C560-R562 PolarHBondContact SG-O 2.96Å; R562-C564 VanDerWaalsContact C-N 3.28Å; R562-C564 WeakPolarHBondContact CB-O 3.41Å; R562-G565 PolarHBondContact NH1-O 3.1Å; R562-G566 PolarHBondContact NH1-O 3.36Å; R562-N598 PolarHBondContact O-ND2 2.02Å; R562-F609 HydrophobicContact CG-CE1 4.05Å; R562-F609 HydrophobicContact CG-CZ 3.99Å; R562-G663 PolarHBondContact NH1-O 2.96Å
563	T	89.1	Confident	88.5	Confident	123 Å²	123	59 Å²	59	76%	0.755	34%	0.337	S	S	*	.	S	Bend	trans	-78.5	-11.8	177.2	43.6	0	0	0	0	113.6
564	C	87.4	Confident	88.2	Confident	24 Å²	24	59.8 Å²	59.8	16%	0.162	33%	0.329	C	S	.	.	S	Bend	trans	-169.5	174.5	-177.9	53.5	0	0	0	0	109.8	R562 G566 N598 C602	R562-C564 VanDerWaalsContact C-N 3.28Å; R562-C564 WeakPolarHBondContact CB-O 3.41Å; C564-G566 VanDerWaalsContact C-N 3.33Å; C564-G566 PolarHBondContact O-N 2.82Å; C564-N598 CarbonylContact C-O 3.58Å; C564-N598 WeakPolarHBondContact CA-O 3.44Å; C564-C602 HydrophobicContact CB-CB 3.91Å; C564-C602 WeakPolarHBondContact CB-SG 3.1Å; C564-C602 WeakPolarHBondContact SG-CA 3.47Å; C564-C602 WeakPolarHBondContact SG-CB 3.33Å; C564-C602 CovalentContact SG-SG 2.04Å; C564-C602 PolarHBondContact SG-SG 3.11Å
565	G	82.8	Confident	87.6	Confident	33 Å²	33	57.2 Å²	57.2	34%	0.34	32%	0.322	S	S	.	.	S	Bend	trans	75.6	16.8	171	0	0	0	0	0	114.7	R562 N598 E600	R562-G565 PolarHBondContact NH1-O 3.1Å; G565-N598 PolarHBondContact N-O 3.46Å; G565-E600 PolarHBondContact N-O 2.93Å
566	G	86.8	Confident	87	Confident	9 Å²	9	58.5 Å²	58.5	9%	0.093	33%	0.325	C	S	.	.	S	Bend	trans	81.7	91.3	-172.7	0	0	0	0	0	112.1	R562 C564 N598	R562-G566 PolarHBondContact NH1-O 3.36Å; C564-G566 VanDerWaalsContact C-N 3.33Å; C564-G566 PolarHBondContact O-N 2.82Å; G566-N598 PolarHBondContact N-O 3.24Å
567	G	89.4	Confident	86.3	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	168.2	164.5	0	0	0	0	0	111.8	C597	G567-C597 PolarHBondContact N-O 3.16Å; G567-C597 PolarHBondContact O-N 3.31Å; G567-C597 PolarHBondContact O-SG 3.11Å; G567-C597 VanDerWaalsContact O-SG 3.41Å
568	V	91.9	Very high	85.5	Confident	2 Å²	2	53.1 Å²	53.1	1%	0.012	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	135	169.4	177.2	0	0	0	0	108.2	S561 Y594 M596 V674	S561-V568 VanDerWaalsContact CB-O 3.26Å; S561-V568 WeakPolarHBondContact CB-O 3.48Å; S561-V568 PolarHBondContact N-O 3.48Å; S561-V568 PolarHBondContact OG-N 2.91Å; S561-V568 PolarHBondContact OG-O 3.05Å; V568-Y594 HydrophobicContact CG1-CD1 3.73Å; V568-Y594 HydrophobicContact CG1-CG 4.24Å; V568-M596 HydrophobicContact CG2-SD 4.1Å; V568-V674 HydrophobicContact CG2-CB 4.47Å; V568-V674 HydrophobicContact CG2-CG2 3.65Å
569	R	90.9	Very high	84.2	Confident	86 Å²	86	54 Å²	54	33%	0.325	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	120.6	163	59.3	-173.6	-169.2	-164.8	-1.4	107.8	Y557 Q595 C597	Y557-R569 HydrophobicContact CD1-CB 4.31Å; Y557-R569 HydrophobicContact CD1-CG 3.68Å; Y557-R569 HydrophobicContact CE1-CG 4.33Å; Y557-R569 HydrophobicContact CG-CG 3.97Å; R569-Q595 HydrophobicContact CG-CB 4.2Å; R569-Q595 WeakPolarHBondContact CG-O 3.41Å; R569-Q595 PolarHBondContact N-O 2.95Å; R569-Q595 PolarHBondContact O-N 3.49Å; R569-C597 HydrophobicContact CB-CB 4.42Å; R569-C597 VanDerWaalsContact CB-SG 3.56Å; R569-C597 HydrophobicContact CG-CB 3.91Å; R569-C597 PolarHBondContact N-SG 3.14Å
570	S	90.4	Very high	82.7	Confident	39 Å²	39	50.6 Å²	50.6	27%	0.273	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	147.5	167	55.7	0	0	0	0	109.9	G558 D593	G558-S570 PolarHBondContact N-O 3.09Å; S570-D593 CarbonylContact C-O 3.55Å; S570-D593 WeakPolarHBondContact CA-O 3.3Å
571	R	88.6	Confident	80.6	Confident	63 Å²	63	50.2 Å²	50.2	24%	0.238	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	138.5	151.3	54.4	-176	178.3	171.6	-8.9	107.1	W554 S555 Y557 F592 D593	W554-R571 HydrophobicContact CD2-CG 4.09Å; W554-R571 HydrophobicContact CE3-CB 4.19Å; W554-R571 HydrophobicContact CE3-CG 3.53Å; W554-R571 HydrophobicContact CZ3-CG 3.95Å; W554-R571 VanDerWaalsContact CZ3-O 3.31Å; W554-R571 WeakPolarHBondContact CZ3-O 3.32Å; S555-R571 WeakPolarHBondContact O-CB 3.49Å; Y557-R571 HydrophobicContact CD1-CB 3.69Å; Y557-R571 HydrophobicContact CD1-CG 3.64Å; Y557-R571 HydrophobicContact CE1-CB 4.05Å; Y557-R571 HydrophobicContact CE1-CG 3.44Å; Y557-R571 VanDerWaalsContact CE1-CG 3.44Å; Y557-R571 HydrophobicContact CG-CB 4.13Å; Y557-R571 HydrophobicContact CG-CG 4.31Å; Y557-R571 VanDerWaalsContact CZ-CD 3.46Å; Y557-R571 VanDerWaalsContact CZ-NE 3.31Å; Y557-R571 VanDerWaalsContact OH-CZ 3.28Å; Y557-R571 PolarHBondContact OH-NE 2.93Å; Y557-R571 VanDerWaalsContact OH-NE 3.13Å; Y557-R571 PolarHBondContact OH-NH2 3.24Å; R571-F592 WeakPolarHBondContact O-CA 3.36Å; R571-D593 HydrophobicContact CG-CB 3.96Å; R571-D593 IonicContact CZ-OD2 2.79Å; R571-D593 PolarHBondContact N-O 3.11Å; R571-D593 IonicContact NE-OD2 3.97Å; R571-D593 PolarHBondContact NE-OD2 2.86Å; R571-D593 IonicContact NH2-OD2 2.87Å; R571-D593 PolarHBondContact NH2-OD2 2.91Å; R571-D593 PolarHBondContact O-N 2.92Å
572	S	85.6	Confident	78.5	Confident	45 Å²	45	54.1 Å²	54.1	32%	0.315	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	148.9	166.5	55.9	0	0	0	0	109.9	S555 A591	S555-S572 VanDerWaalsContact CB-O 3.28Å; S555-S572 WeakPolarHBondContact CB-O 3.42Å; S555-S572 PolarHBondContact N-O 3.07Å; S555-S572 PolarHBondContact OG-N 2.95Å; S555-S572 PolarHBondContact OG-O 2.99Å; S555-S572 PolarHBondContact OG-OG 3.1Å; S572-A591 WeakPolarHBondContact CA-O 2.9Å
573	R	86.1	Confident	76.5	Confident	46 Å²	46	53.9 Å²	53.9	17%	0.174	31%	0.306	C	S	.	.			trans	-116.9	150.9	155.3	54.1	-175.8	172.7	-176.6	-5.1	106.9	W551 W554 S590 A591	W551-R573 VanDerWaalsContact CD1-CZ 3.44Å; W551-R573 HydrophobicContact CD2-CG 3.87Å; W551-R573 VanDerWaalsContact CE2-NE 3.28Å; W551-R573 HydrophobicContact CE3-CB 4.17Å; W551-R573 VanDerWaalsContact CE3-CD 3.41Å; W551-R573 HydrophobicContact CE3-CG 3.38Å; W551-R573 HydrophobicContact CH2-CG 4.49Å; W551-R573 HydrophobicContact CZ3-CG 3.75Å; W551-R573 VanDerWaalsContact NE1-CZ 3.28Å; W554-R573 HydrophobicContact CD2-CB 3.98Å; W554-R573 HydrophobicContact CD2-CG 4.15Å; W554-R573 HydrophobicContact CE3-CB 3.54Å; W554-R573 HydrophobicContact CE3-CG 3.67Å; W554-R573 HydrophobicContact CH2-CB 4.41Å; W554-R573 VanDerWaalsContact CH2-CD 3.43Å; W554-R573 HydrophobicContact CH2-CG 3.59Å; W554-R573 VanDerWaalsContact CZ2-CD 3.42Å; W554-R573 HydrophobicContact CZ2-CG 4.1Å; W554-R573 HydrophobicContact CZ3-CB 3.79Å; W554-R573 HydrophobicContact CZ3-CG 3.37Å; R573-S590 VanDerWaalsContact CZ-O 3.26Å; R573-S590 PolarHBondContact NE-O 2.87Å; R573-S590 PolarHBondContact NH2-O 2.89Å; R573-A591 PolarHBondContact N-O 3.4Å
574	Q	79.3	Confident	75	Confident	130 Å²	130	48.8 Å²	48.8	61%	0.607	28%	0.278	S	S	*	.			trans	-99.7	147	171.1	-71.2	175.4	-10.8	0	0	107.6	G552 N576	G552-Q574 PolarHBondContact N-O 3.32Å; Q574-N576 VanDerWaalsContact C-N 3.25Å; Q574-N576 HydrophobicContact CB-CB 4.06Å; Q574-N576 PolarHBondContact O-N 3.24Å; Q574-N576 PolarHBondContact O-OD1 3.5Å; Q574-N576 PolarHBondContact OE1-ND2 2.87Å
575	C	76.2	Confident	73.6	Confident	22 Å²	22	55.3 Å²	55.3	15%	0.149	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-77.7	87.9	167.5	-165.3	0	0	0	0	106	G549 W551 P579 P580 D586 C587	G549-C575 VanDerWaalsContact C-SG 3.59Å; G549-C575 VanDerWaalsContact CA-SG 3.55Å; W551-C575 HydrophobicContact CE3-CB 4.2Å; W551-C575 HydrophobicContact CZ3-CB 3.92Å; C575-P579 WeakPolarHBondContact O-CA 3.36Å; C575-P580 HydrophobicContact CB-CG 4.27Å; C575-P580 VanDerWaalsContact O-CD 3.24Å; C575-P580 WeakPolarHBondContact O-CD 3.44Å; C575-P580 VanDerWaalsContact SG-CD 3.56Å; C575-D586 WeakPolarHBondContact CB-OD1 3.26Å; C575-D586 PolarHBondContact SG-OD1 2.95Å; C575-C587 WeakPolarHBondContact CA-SG 3.4Å; C575-C587 HydrophobicContact CB-CB 3.84Å; C575-C587 WeakPolarHBondContact CB-SG 3.44Å; C575-C587 WeakPolarHBondContact SG-CB 3.26Å; C575-C587 PolarHBondContact SG-N 3.26Å; C575-C587 CovalentContact SG-SG 2.02Å; C575-C587 PolarHBondContact SG-SG 3.42Å
576	N	76.4	Confident	73	Confident	76 Å²	76	59.2 Å²	59.2	41%	0.406	31%	0.312	S	S	.	.			trans	-154.9	16.4	-167.2	75.5	-20.4	0	0	0	115.9	N550 G552 Q574 P579	N550-N576 PolarHBondContact O-N 2.99Å; G552-N576 WeakPolarHBondContact CA-OD1 3.04Å; Q574-N576 VanDerWaalsContact C-N 3.25Å; Q574-N576 HydrophobicContact CB-CB 4.06Å; Q574-N576 PolarHBondContact O-N 3.24Å; Q574-N576 PolarHBondContact O-OD1 3.5Å; Q574-N576 PolarHBondContact OE1-ND2 2.87Å; N576-P579 HydrophobicContact CB-CB 4.39Å
577	D	72.9	Confident	72.7	Confident	93 Å²	93	59.1 Å²	59.1	50%	0.497	31%	0.31	S	S	.	.	S	Bend	trans	-135.8	63.6	178.3	-163.3	10.7	0	0	0	112.6	N550 G552	N550-D577 WeakPolarHBondContact CB-O 3.03Å; N550-D577 PolarHBondContact ND2-O 3.04Å; N550-D577 PolarHBondContact O-N 3.02Å; G552-D577 VanDerWaalsContact CA-CB 3.46Å
578	P	72.2	Confident	72.1	Confident	57 Å²	57	64.3 Å²	64.3	37%	0.37	34%	0.344	S	S	.	.	S	Bend	cis	-87.2	166.2	-2.7	35.7	-37.6	0	0	0	113.6	H547 G549 N550	H547-P578 HydrophobicContact CB-CG 4.44Å; H547-P578 VanDerWaalsContact CD2-CG 3.47Å; H547-P578 WeakPolarHBondContact CD2-CG 3.48Å; G549-P578 WeakPolarHBondContact CA-O 3.1Å; N550-P578 PolarHBondContact N-O 2.99Å
579	P	59.7	Low	71.3	Confident	60 Å²	60	67.2 Å²	67.2	39%	0.39	37%	0.374	S	S	.	.			trans	-70.8	156.5	178.4	28.3	-34.4	0	0	0	113.4	H547 C575 N576 A581	H547-P579 PolarHBondContact CD2-O 3.18Å; H547-P579 PolarHBondContact NE2-O 2.75Å; C575-P579 WeakPolarHBondContact O-CA 3.36Å; N576-P579 HydrophobicContact CB-CB 4.39Å; P579-A581 PolarHBondContact O-N 2.93Å
580	P	59.3	Low	70.7	Confident	51 Å²	51	66.4 Å²	66.4	33%	0.331	38%	0.382	S	S	.	.			trans	-74.5	99.1	177.2	30.2	-29.1	0	0	0	109.1	C575	C575-P580 HydrophobicContact CB-CG 4.27Å; C575-P580 VanDerWaalsContact O-CD 3.24Å; C575-P580 WeakPolarHBondContact O-CD 3.44Å; C575-P580 VanDerWaalsContact SG-CD 3.56Å
581	A	46.2	Very low	70.3	Confident	19 Å²	19	66.2 Å²	66.2	16%	0.157	38%	0.382	C	S	.	.			trans	-117.2	158.6	-175.9	0	0	0	0	0	111.3	G546 P579 G583 G584	G546-A581 VanDerWaalsContact CA-O 3.23Å; G546-A581 WeakPolarHBondContact CA-O 3.5Å; P579-A581 PolarHBondContact O-N 2.93Å; A581-G583 PolarHBondContact O-N 3.21Å; A581-G583 VanDerWaalsContact O-N 3.08Å; A581-G584 PolarHBondContact O-N 2.88Å
582	Y	49.1	Very low	70	Confident	117 Å²	117	66.5 Å²	66.5	46%	0.459	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.6	43.4	175.7	-33.8	-70.6	0	0	0	114.4	E543 Q545 G546	E543-Y582 HydrophobicContact CB-CE1 4.11Å; E543-Y582 HydrophobicContact CB-CE2 3.65Å; E543-Y582 WeakPolarHBondContact CB-OH 3.47Å; E543-Y582 VanDerWaalsContact O-CD1 3.3Å; E543-Y582 WeakPolarHBondContact O-CD1 3.12Å; E543-Y582 WeakPolarHBondContact O-CE1 3.32Å; Q545-Y582 WeakPolarHBondContact O-CD2 3.28Å; G546-Y582 WeakPolarHBondContact CA-O 3.27Å
583	G	45.4	Very low	70.2	Confident	37 Å²	37	66.4 Å²	66.4	38%	0.381	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	82	13.8	-178.6	0	0	0	0	0	115.2	K463 A581	K463-G583 WeakPolarHBondContact CD-O 3.41Å; K463-G583 WeakPolarHBondContact CE-O 3.04Å; K463-G583 WeakPolarHBondContact CG-O 3.43Å; K463-G583 PolarHBondContact NZ-O 2.92Å; A581-G583 PolarHBondContact O-N 3.21Å; A581-G583 VanDerWaalsContact O-N 3.08Å
584	G	58.9	Low	70.4	Confident	15 Å²	15	65.5 Å²	65.5	16%	0.155	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-52.3	142.4	164.8	0	0	0	0	0	112.3	H547 D548 A581	H547-G584 WeakPolarHBondContact O-CA 3.39Å; D548-G584 WeakPolarHBondContact OD1-CA 3.24Å; A581-G584 PolarHBondContact O-N 2.88Å
585	R	57.4	Low	71	Confident	162 Å²	162	63 Å²	63	61%	0.611	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-62.6	140.2	168.3	-71.6	-179.4	-73.2	-165.4	-2	109.3	D548 G549	D548-R585 HydrophobicContact CB-CB 4.27Å; D548-R585 PolarHBondContact OD1-N 2.9Å; D548-R585 IonicContact OD1-NE 3.91Å; D548-R585 IonicContact OD2-CZ 2.68Å; D548-R585 IonicContact OD2-NE 3.11Å; D548-R585 PolarHBondContact OD2-NE 2.69Å; D548-R585 IonicContact OD2-NH2 3.59Å; D548-R585 PolarHBondContact OD2-NH2 2.89Å; G549-R585 PolarHBondContact N-O 2.8Å
586	D	71	Confident	71.6	Confident	114 Å²	114	63.2 Å²	63.2	61%	0.61	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-65.4	157	169.6	-163.9	9	0	0	0	110.2	C575	C575-D586 WeakPolarHBondContact CB-OD1 3.26Å; C575-D586 PolarHBondContact SG-OD1 2.95Å
587	C	80.3	Confident	72.3	Confident	8 Å²	8	60 Å²	60	5%	0.054	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-64.3	133.4	-167.8	-71.8	0	0	0	0	112.2	G549 N550 W551 C575 G589	G549-C587 PolarHBondContact O-SG 2.95Å; N550-C587 WeakPolarHBondContact CA-SG 3.42Å; N550-C587 PolarHBondContact N-SG 2.94Å; N550-C587 VanDerWaalsContact N-SG 3.39Å; N550-C587 PolarHBondContact O-SG 3.18Å; W551-C587 HydrophobicContact CD2-CB 3.33Å; W551-C587 HydrophobicContact CE3-CB 3.65Å; W551-C587 HydrophobicContact CG-CB 3.93Å; W551-C587 HydrophobicContact CH2-CB 3.61Å; W551-C587 HydrophobicContact CZ2-CB 3.31Å; W551-C587 WeakPolarHBondContact CZ2-O 3.18Å; W551-C587 HydrophobicContact CZ3-CB 3.78Å; W551-C587 PolarHBondContact N-SG 2.03Å; W551-C587 VanDerWaalsContact N-SG 3.45Å; C575-C587 WeakPolarHBondContact CA-SG 3.4Å; C575-C587 HydrophobicContact CB-CB 3.84Å; C575-C587 WeakPolarHBondContact CB-SG 3.44Å; C575-C587 WeakPolarHBondContact SG-CB 3.26Å; C575-C587 PolarHBondContact SG-N 3.26Å; C575-C587 CovalentContact SG-SG 2.02Å; C575-C587 PolarHBondContact SG-SG 3.42Å; C587-G589 PolarHBondContact O-N 2.93Å
588	P	77.1	Confident	73.2	Confident	108 Å²	108	58.2 Å²	58.2	70%	0.701	34%	0.34	S	S	*	.	S	Bend	trans	-69.5	127.4	-177.5	26.5	-33.8	0	0	0	112.5	W551	W551-P588 PolarHBondContact NE1-O 2.93Å
589	G	74.8	Confident	73.8	Confident	64 Å²	64	58 Å²	58	66%	0.66	34%	0.337	S	S	*	.	S	Bend	trans	102.1	-164.8	-179.1	0	0	0	0	0	113.2	C587	C587-G589 PolarHBondContact O-N 2.93Å
590	S	77.7	Confident	75	Confident	68 Å²	68	60.3 Å²	60.3	48%	0.476	34%	0.343	S	S	.	.			trans	-85.4	140.2	-176.2	59.9	0	0	0	0	113.3	W551 R573 F592	W551-S590 WeakPolarHBondContact CZ2-O 3.26Å; R573-S590 VanDerWaalsContact CZ-O 3.26Å; R573-S590 PolarHBondContact NE-O 2.87Å; R573-S590 PolarHBondContact NH2-O 2.89Å; S590-F592 VanDerWaalsContact CB-O 3.23Å; S590-F592 WeakPolarHBondContact CB-O 3.5Å; S590-F592 PolarHBondContact O-N 3.33Å; S590-F592 PolarHBondContact OG-O 3.21Å
591	A	81.8	Confident	76.2	Confident	35 Å²	35	64.1 Å²	64.1	29%	0.289	36%	0.356	S	S	.	.	S	Bend	trans	-71.9	-13.9	168.6	0	0	0	0	0	113.3	W551 S572 R573	W551-A591 HydrophobicContact CH2-CB 3.69Å; W551-A591 HydrophobicContact CZ3-CB 3.95Å; S572-A591 WeakPolarHBondContact CA-O 2.9Å; R573-A591 PolarHBondContact N-O 3.4Å
592	F	83.2	Confident	78.1	Confident	70 Å²	70	65.8 Å²	65.8	31%	0.307	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	131.3	180	-61.7	-90.4	0	0	0	109.1	R571 S590 Y594 R677	R571-F592 WeakPolarHBondContact O-CA 3.36Å; S590-F592 VanDerWaalsContact CB-O 3.23Å; S590-F592 WeakPolarHBondContact CB-O 3.5Å; S590-F592 PolarHBondContact O-N 3.33Å; S590-F592 PolarHBondContact OG-O 3.21Å; F592-Y594 HydrophobicContact CB-CE1 4.37Å; F592-Y594 HydrophobicContact CB-CE2 4.08Å; F592-R677 VanDerWaalsContact CD2-NH1 3.35Å
593	D	89.3	Confident	79.7	Confident	43 Å²	43	65.5 Å²	65.5	23%	0.23	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	135.4	166.8	169	55.4	0	0	0	108.2	W554 Y557 S570 R571	W554-D593 HydrophobicContact CE3-CB 4.3Å; W554-D593 HydrophobicContact CH2-CB 3.17Å; W554-D593 HydrophobicContact CZ2-CB 3.53Å; W554-D593 HydrophobicContact CZ3-CB 3.59Å; Y557-D593 PolarHBondContact OH-OD2 3.1Å; S570-D593 CarbonylContact C-O 3.55Å; S570-D593 WeakPolarHBondContact CA-O 3.3Å; R571-D593 HydrophobicContact CG-CB 3.96Å; R571-D593 IonicContact CZ-OD2 2.79Å; R571-D593 PolarHBondContact N-O 3.11Å; R571-D593 IonicContact NE-OD2 3.97Å; R571-D593 PolarHBondContact NE-OD2 2.86Å; R571-D593 IonicContact NH2-OD2 2.87Å; R571-D593 PolarHBondContact NH2-OD2 2.91Å; R571-D593 PolarHBondContact O-N 2.92Å
594	Y	90	Very high	81.3	Confident	27 Å²	27	66.9 Å²	66.9	11%	0.106	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	129.4	-172.7	-61.2	-74.7	0	0	0	108.4	V568 F592 A676 R677 L681 V689	V568-Y594 HydrophobicContact CG1-CD1 3.73Å; V568-Y594 HydrophobicContact CG1-CG 4.24Å; F592-Y594 HydrophobicContact CB-CE1 4.37Å; F592-Y594 HydrophobicContact CB-CE2 4.08Å; Y594-A676 HydrophobicContact CD1-CB 4.15Å; Y594-A676 HydrophobicContact CE1-CB 3.87Å; Y594-R677 WeakPolarHBondContact OH-CD 3.47Å; Y594-L681 HydrophobicContact CD1-CD1 4.08Å; Y594-L681 HydrophobicContact CD2-CD1 3.46Å; Y594-L681 VanDerWaalsContact CD2-CD1 3.46Å; Y594-L681 HydrophobicContact CD2-CD2 3.99Å; Y594-L681 HydrophobicContact CD2-CG 4.4Å; Y594-L681 HydrophobicContact CE2-CD1 4.05Å; Y594-L681 HydrophobicContact CE2-CD2 4.06Å; Y594-L681 HydrophobicContact CG-CD1 3.46Å; Y594-L681 VanDerWaalsContact CG-CD1 3.46Å; Y594-V689 VanDerWaalsContact O-CG2 3.32Å; Y594-V689 WeakPolarHBondContact O-CG2 3.32Å
595	Q	91.4	Very high	82.2	Confident	76 Å²	76	70.6 Å²	70.6	36%	0.355	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	138.3	175.5	-163	-179.1	33	0	0	110.1	Y557 R569	Y557-Q595 HydrophobicContact CD1-CB 4.43Å; Y557-Q595 HydrophobicContact CE1-CB 3.62Å; R569-Q595 HydrophobicContact CG-CB 4.2Å; R569-Q595 WeakPolarHBondContact CG-O 3.41Å; R569-Q595 PolarHBondContact N-O 2.95Å; R569-Q595 PolarHBondContact O-N 3.49Å
596	M	90.2	Very high	83.5	Confident	28 Å²	28	66 Å²	66	14%	0.138	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	139.1	169	-64.2	-57.7	-76.3	0	0	110.3	V568 T599 V674 V683 K687 V689	V568-M596 HydrophobicContact CG2-SD 4.1Å; M596-T599 HydrophobicContact CB-CG2 3.81Å; M596-V674 HydrophobicContact CE-CG1 4.43Å; M596-V674 HydrophobicContact CE-CG2 4.41Å; M596-V674 HydrophobicContact SD-CG2 3.84Å; M596-V683 HydrophobicContact CG-CG1 4Å; M596-V683 HydrophobicContact SD-CG1 4.48Å; M596-V683 HydrophobicContact SD-CG2 4.35Å; M596-K687 WeakPolarHBondContact CB-O 3Å; M596-K687 VanDerWaalsContact CG-O 3.23Å; M596-K687 WeakPolarHBondContact CG-O 3.39Å; M596-V689 HydrophobicContact CG-CG2 4.23Å
597	C	91.5	Very high	84.1	Confident	7 Å²	7	66.3 Å²	66.3	5%	0.047	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	159.1	-179.8	52.1	0	0	0	0	110.5	C560 G567 R569 T599	C560-C597 VanDerWaalsContact CA-SG 3.51Å; C560-C597 HydrophobicContact CB-CB 3.89Å; C560-C597 WeakPolarHBondContact CB-SG 3.01Å; C560-C597 WeakPolarHBondContact SG-CB 3.42Å; C560-C597 PolarHBondContact SG-O 3.19Å; C560-C597 CovalentContact SG-SG 2.02Å; C560-C597 PolarHBondContact SG-SG 3.3Å; G567-C597 PolarHBondContact N-O 3.16Å; G567-C597 PolarHBondContact O-N 3.31Å; G567-C597 PolarHBondContact O-SG 3.11Å; G567-C597 VanDerWaalsContact O-SG 3.41Å; R569-C597 HydrophobicContact CB-CB 4.42Å; R569-C597 VanDerWaalsContact CB-SG 3.56Å; R569-C597 HydrophobicContact CG-CB 3.91Å; R569-C597 PolarHBondContact N-SG 3.14Å; C597-T599 PolarHBondContact O-N 3.18Å
598	N	89.9	Confident	84.4	Confident	57 Å²	57	66.9 Å²	66.9	31%	0.305	40%	0.399	S	S	.	.			trans	46.6	52.9	-176.9	-54.1	-8.7	0	0	0	110.9	C560 R562 C564 G565 G566 E600	C560-N598 VanDerWaalsContact CB-ND2 3.32Å; C560-N598 WeakPolarHBondContact CB-ND2 3.33Å; R562-N598 PolarHBondContact O-ND2 2.02Å; C564-N598 CarbonylContact C-O 3.58Å; C564-N598 WeakPolarHBondContact CA-O 3.44Å; G565-N598 PolarHBondContact N-O 3.46Å; G566-N598 PolarHBondContact N-O 3.24Å; N598-E600 VanDerWaalsContact C-N 3.31Å; N598-E600 VanDerWaalsContact CA-OE1 3.3Å; N598-E600 WeakPolarHBondContact CA-OE1 3.4Å; N598-E600 VanDerWaalsContact CA-OE2 3.3Å; N598-E600 WeakPolarHBondContact CA-OE2 3.5Å
599	T	86	Confident	85	Confident	52 Å²	52	63.5 Å²	63.5	32%	0.319	37%	0.373	S	S	.	.			trans	-87.2	-1.9	-170.2	57.5	0	0	0	0	113.4	M596 C597 K687	M596-T599 HydrophobicContact CB-CG2 3.81Å; C597-T599 PolarHBondContact O-N 3.18Å; T599-K687 HydrophobicContact CG2-CD 4.17Å; T599-K687 PolarHBondContact O-NZ 2.85Å
600	E	85.6	Confident	85.8	Confident	108 Å²	108	60.6 Å²	60.6	51%	0.505	34%	0.342	S	S	.	.	S	Bend	trans	-62.1	143.6	156.9	63.9	-77.6	-177.4	0	0	111.2	G565 N598	G565-E600 PolarHBondContact N-O 2.93Å; N598-E600 VanDerWaalsContact C-N 3.31Å; N598-E600 VanDerWaalsContact CA-OE1 3.3Å; N598-E600 WeakPolarHBondContact CA-OE1 3.4Å; N598-E600 VanDerWaalsContact CA-OE2 3.3Å; N598-E600 WeakPolarHBondContact CA-OE2 3.5Å
601	E	84.1	Confident	86.3	Confident	132 Å²	132	58.5 Å²	58.5	62%	0.617	33%	0.329	S	S	*	.	P	Polyproline II helix	trans	-68.8	156.1	178.3	-65.7	-175	122.4	0	0	111.9	H798	E601-H798 IonicContact OE1-CE1 2.69Å; E601-H798 IonicContact OE1-ND1 3.42Å; E601-H798 PolarHBondContact OE1-ND1 3.14Å; E601-H798 VanDerWaalsContact OE1-ND1 3.11Å
602	C	86	Confident	86.6	Confident	53 Å²	53	59.5 Å²	59.5	36%	0.358	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-69.5	140.9	178.9	-70.1	0	0	0	0	111.8	C564 G604	C564-C602 HydrophobicContact CB-CB 3.91Å; C564-C602 WeakPolarHBondContact CB-SG 3.1Å; C564-C602 WeakPolarHBondContact SG-CA 3.47Å; C564-C602 WeakPolarHBondContact SG-CB 3.33Å; C564-C602 CovalentContact SG-SG 2.04Å; C564-C602 PolarHBondContact SG-SG 3.11Å; C602-G604 PolarHBondContact O-N 2.87Å
603	A	81.3	Confident	86.9	Confident	111 Å²	111	57.2 Å²	57.2	92%	0.917	32%	0.318	S	S	*	.	S	Bend	trans	-77.5	109.2	177.8	0	0	0	0	0	110.6
604	G	80.1	Confident	86.8	Confident	66 Å²	66	55.2 Å²	55.2	68%	0.68	31%	0.307	S	S	*	.	S	Bend	trans	145.6	-155	-177.2	0	0	0	0	0	110.7	C602	C602-G604 PolarHBondContact O-N 2.87Å
605	H	77.9	Confident	86.5	Confident	94 Å²	94	57.8 Å²	57.8	44%	0.435	33%	0.326	S	S	.	.	S	Bend	trans	-75.8	158.7	166.1	-57.5	-59.7	0	0	0	110.1	E607 V755 T756 E799	H605-E607 PolarHBondContact O-N 2.95Å; H605-V755 WeakPolarHBondContact CE1-CG1 3.32Å; H605-T756 HydrophobicContact CB-CG2 4.11Å; H605-E799 IonicContact CE1-OE1 3.48Å; H605-E799 IonicContact CG-OE1 2.59Å; H605-E799 IonicContact ND1-OE1 2.68Å; H605-E799 PolarHBondContact ND1-OE1 3.18Å
606	Y	84.2	Confident	85.8	Confident	64 Å²	64	61.4 Å²	61.4	25%	0.251	34%	0.343	S	S	.	.			trans	-76.3	123.4	172.7	178.8	-86.7	0	0	0	110.2	D608 R665 N776 H798	Y606-D608 HydrophobicContact CE1-CB 4.45Å; Y606-R665 PolarHBondContact OH-NH1 2.68Å; Y606-N776 VanDerWaalsContact CE1-O 3.31Å; Y606-N776 WeakPolarHBondContact CE1-O 3.44Å; Y606-H798 HydrophobicContact CD1-CB 4.13Å; Y606-H798 HydrophobicContact CD2-CB 3.66Å; Y606-H798 AromaticContact CD2-CD2 3.55Å; Y606-H798 AromaticContact CD2-CE1 3.93Å; Y606-H798 AromaticContact CD2-CG 3.34Å; Y606-H798 AromaticContact CD2-ND1 3.6Å; Y606-H798 AromaticContact CD2-NE2 3.93Å; Y606-H798 AromaticContact CE1-CD2 3.93Å; Y606-H798 HydrophobicContact CE2-CB 4.42Å; Y606-H798 AromaticContact CE2-CD2 3.38Å; Y606-H798 WeakPolarHBondContact CE2-CD2 3.47Å; Y606-H798 AromaticContact CE2-CE1 3.65Å; Y606-H798 AromaticContact CE2-CG 3.66Å; Y606-H798 AromaticContact CE2-ND1 3.81Å; Y606-H798 AromaticContact CE2-NE2 3.39Å; Y606-H798 WeakPolarHBondContact CE2-NE2 3.49Å; Y606-H798 HydrophobicContact CG-CB 3.48Å; Y606-H798 VanDerWaalsContact CG-CB 3.48Å; Y606-H798 AromaticContact CG-CD2 3.88Å; Y606-H798 AromaticContact CG-CG 3.66Å; Y606-H798 AromaticContact CZ-CD2 3.59Å; Y606-H798 AromaticContact CZ-NE2 3.73Å
607	E	82.9	Confident	84.5	Confident	121 Å²	121	63.4 Å²	63.4	57%	0.565	35%	0.349	S	S	*	.			trans	-118.4	130.6	174.9	-65	-174.7	-173.1	0	0	110.1	H605 F609 Q612	H605-E607 PolarHBondContact O-N 2.95Å; E607-F609 PolarHBondContact O-N 2.88Å; E607-Q612 PolarHBondContact OE2-NE2 2.86Å
608	D	87.8	Confident	82.9	Confident	20 Å²	20	65 Å²	65	11%	0.107	36%	0.36	C	S	.	.			trans	-70.7	113.1	176.1	179.6	-0.9	0	0	0	110.7	Y606 R610 A611 Q612 Y668	Y606-D608 HydrophobicContact CE1-CB 4.45Å; D608-R610 PolarHBondContact O-N 2.97Å; D608-R610 WeakPolarHBondContact OD1-CB 3.49Å; D608-R610 PolarHBondContact OD1-N 2.78Å; D608-A611 HydrophobicContact CB-CB 3.86Å; D608-A611 WeakPolarHBondContact O-CB 3.38Å; D608-A611 PolarHBondContact O-N 3.23Å; D608-A611 VanDerWaalsContact O-N 3.08Å; D608-Q612 PolarHBondContact O-N 2.73Å; D608-Y668 VanDerWaalsContact OD2-CE1 3.31Å; D608-Y668 WeakPolarHBondContact OD2-CE1 3.4Å; D608-Y668 PolarHBondContact OD2-OH 3.15Å
609	F	89.4	Confident	81.1	Confident	37 Å²	37	69.9 Å²	69.9	16%	0.162	39%	0.386	C	S	.	.	H	α-helix	trans	-62	-26.1	-179.5	-165.4	-122.7	0	0	0	113.2	R562 E607 Q612 Q613 H661 T664	R562-F609 HydrophobicContact CG-CE1 4.05Å; R562-F609 HydrophobicContact CG-CZ 3.99Å; E607-F609 PolarHBondContact O-N 2.88Å; F609-Q612 VanDerWaalsContact CD2-OE1 3.31Å; F609-Q613 WeakPolarHBondContact O-CG 3.42Å; F609-Q613 PolarHBondContact O-N 3.39Å; F609-Q613 PolarHBondContact O-NE2 2.8Å; F609-H661 HydrophobicContact CE1-CB 3.82Å; F609-H661 AromaticContact CE1-CG 3.92Å; F609-H661 AromaticContact CE1-ND1 3.8Å; F609-H661 HydrophobicContact CZ-CB 4.12Å; F609-H661 AromaticContact CZ-CG 3.86Å; F609-H661 AromaticContact CZ-ND1 3.8Å; F609-T664 HydrophobicContact CD1-CG2 4.41Å; F609-T664 VanDerWaalsContact CD1-OG1 3.29Å; F609-T664 WeakPolarHBondContact CD1-OG1 3.02Å
610	R	90.8	Very high	79.6	Confident	3 Å²	3	74 Å²	74	1%	0.011	40%	0.4	C	S	.	.	H	α-helix	trans	-73.7	-43.5	171.9	-173.4	-178.9	-58.9	-150.6	-1.6	111.1	D608 Q612 Q613 C614 P631 Y632 M660 T664 R665 C666 Y668	D608-R610 PolarHBondContact O-N 2.97Å; D608-R610 WeakPolarHBondContact OD1-CB 3.49Å; D608-R610 PolarHBondContact OD1-N 2.78Å; R610-Q612 PolarHBondContact O-N 2.94Å; R610-Q613 PolarHBondContact O-N 3.44Å; R610-C614 PolarHBondContact O-N 3.06Å; R610-P631 HydrophobicContact CG-CB 4.19Å; R610-Y632 WeakPolarHBondContact CD-O 3.35Å; R610-Y632 PolarHBondContact NH1-O 3.45Å; R610-M660 HydrophobicContact CG-CE 3.63Å; R610-M660 HydrophobicContact CG-SD 3.97Å; R610-T664 HydrophobicContact CB-CG2 3.95Å; R610-R665 PolarHBondContact NH2-O 3.1Å; R610-C666 VanDerWaalsContact NH2-C 3.26Å; R610-C666 PolarHBondContact NH2-O 3.14Å; R610-Y668 WeakPolarHBondContact CB-OH 3.43Å; R610-Y668 VanDerWaalsContact CD-OH 3.32Å; R610-Y668 WeakPolarHBondContact CD-OH 3.32Å
611	A	88.9	Confident	78.4	Confident	25 Å²	25	77 Å²	77	21%	0.207	41%	0.407	C	S	.	.	H	α-helix	trans	-60.8	-44	176.2	0	0	0	0	0	111.4	D608 Q613 C614 V615 P631	D608-A611 HydrophobicContact CB-CB 3.86Å; D608-A611 WeakPolarHBondContact O-CB 3.38Å; D608-A611 PolarHBondContact O-N 3.23Å; D608-A611 VanDerWaalsContact O-N 3.08Å; A611-Q613 VanDerWaalsContact C-N 3.31Å; A611-Q613 PolarHBondContact O-N 3.01Å; A611-C614 PolarHBondContact O-N 2.88Å; A611-V615 WeakPolarHBondContact O-CG2 3.04Å; A611-V615 PolarHBondContact O-N 3.04Å; A611-P631 HydrophobicContact CB-CB 4.21Å; A611-P631 HydrophobicContact CB-CG 3.93Å
612	Q	89.1	Confident	77.2	Confident	56 Å²	56	73.9 Å²	73.9	26%	0.262	39%	0.393	S	S	.	.	H	α-helix	trans	-53.2	-45.4	173	-72.7	-178.4	-3.9	0	0	112.3	E607 D608 F609 R610 C614 V615 Q616	E607-Q612 PolarHBondContact OE2-NE2 2.86Å; D608-Q612 PolarHBondContact O-N 2.73Å; F609-Q612 VanDerWaalsContact CD2-OE1 3.31Å; R610-Q612 PolarHBondContact O-N 2.94Å; Q612-C614 PolarHBondContact O-N 3.13Å; Q612-V615 PolarHBondContact O-N 2.81Å; Q612-Q616 VanDerWaalsContact O-CG 3.32Å; Q612-Q616 WeakPolarHBondContact O-CG 3.41Å; Q612-Q616 PolarHBondContact O-N 2.92Å
613	Q	89.4	Confident	76	Confident	22 Å²	22	76.8 Å²	76.8	10%	0.103	41%	0.405	C	S	.	.	H	α-helix	trans	-64.9	-38.2	-179.6	-73.8	168.3	78.3	0	0	112.6	F609 R610 A611 L643 H661 T664	F609-Q613 WeakPolarHBondContact O-CG 3.42Å; F609-Q613 PolarHBondContact O-N 3.39Å; F609-Q613 PolarHBondContact O-NE2 2.8Å; R610-Q613 PolarHBondContact O-N 3.44Å; A611-Q613 VanDerWaalsContact C-N 3.31Å; A611-Q613 PolarHBondContact O-N 3.01Å; Q613-L643 HydrophobicContact CB-CD1 3.99Å; Q613-L643 HydrophobicContact CB-CD2 4.4Å; Q613-H661 VanDerWaalsContact OE1-CB 3.29Å; Q613-T664 PolarHBondContact NE2-OG1 3.33Å
614	C	87.3	Confident	75.2	Confident	1 Å²	1	78.9 Å²	78.9	1%	0.007	40%	0.4	C	S	.	.	H	α-helix	trans	-64.6	-46.7	171.6	-71.6	0	0	0	0	111.9	R610 A611 Q612 Q616 R617 W629 C645	R610-C614 PolarHBondContact O-N 3.06Å; A611-C614 PolarHBondContact O-N 2.88Å; Q612-C614 PolarHBondContact O-N 3.13Å; C614-Q616 PolarHBondContact O-N 2.8Å; C614-R617 PolarHBondContact O-N 3.17Å; C614-W629 HydrophobicContact CB-CB 3.91Å; C614-C645 WeakPolarHBondContact CA-SG 3.36Å; C614-C645 HydrophobicContact CB-CB 3.86Å; C614-C645 WeakPolarHBondContact CB-SG 3.39Å; C614-C645 WeakPolarHBondContact SG-CB 3.24Å; C614-C645 CovalentContact SG-SG 2.04Å; C614-C645 PolarHBondContact SG-SG 3.43Å
615	V	83.7	Confident	74.8	Confident	81 Å²	81	79.5 Å²	79.5	49%	0.491	39%	0.387	S	S	.	.	H	α-helix	trans	-65.8	-37.5	-178.4	172.4	0	0	0	0	112.5	A611 Q612 R617 S618	A611-V615 WeakPolarHBondContact O-CG2 3.04Å; A611-V615 PolarHBondContact O-N 3.04Å; Q612-V615 PolarHBondContact O-N 2.81Å; V615-R617 PolarHBondContact O-N 2.94Å; V615-R617 VanDerWaalsContact O-N 3.09Å; V615-S618 VanDerWaalsContact O-CB 3.23Å; V615-S618 WeakPolarHBondContact O-CB 3.42Å; V615-S618 PolarHBondContact O-N 2.63Å; V615-S618 PolarHBondContact O-OG 3.24Å
616	Q	74.8	Confident	74.8	Confident	151 Å²	151	82.2 Å²	82.2	71%	0.706	40%	0.398	S	S	*	.	H	α-helix	trans	-60.3	-20.3	178.2	-77.5	179	22.3	0	0	113.8	Q612 C614	Q612-Q616 VanDerWaalsContact O-CG 3.32Å; Q612-Q616 WeakPolarHBondContact O-CG 3.41Å; Q612-Q616 PolarHBondContact O-N 2.92Å; C614-Q616 PolarHBondContact O-N 2.8Å
617	R	63.8	Low	74.4	Confident	71 Å²	71	79.3 Å²	79.3	27%	0.268	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	0.5	175.9	-92.9	-174.8	164.1	-133.7	6.9	115.5	C614 V615 N619 K620 M656	C614-R617 PolarHBondContact O-N 3.17Å; V615-R617 PolarHBondContact O-N 2.94Å; V615-R617 VanDerWaalsContact O-N 3.09Å; R617-N619 PolarHBondContact O-N 3.12Å; R617-K620 PolarHBondContact O-N 2.03Å; R617-M656 VanDerWaalsContact CZ-O 3.24Å; R617-M656 PolarHBondContact NH1-O 2.86Å; R617-M656 PolarHBondContact NH2-O 3.5Å
618	S	57.4	Low	74.5	Confident	41 Å²	41	76.8 Å²	76.8	29%	0.287	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-14	-177.9	57.7	0	0	0	0	116.2	V615 K620	V615-S618 VanDerWaalsContact O-CB 3.23Å; V615-S618 WeakPolarHBondContact O-CB 3.42Å; V615-S618 PolarHBondContact O-N 2.63Å; V615-S618 PolarHBondContact O-OG 3.24Å; S618-K620 PolarHBondContact O-N 3.29Å; S618-K620 VanDerWaalsContact O-N 3.15Å
619	N	53.2	Low	74.5	Confident	159 Å²	159	76.4 Å²	76.4	85%	0.85	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	8.2	175.6	-82.2	-19.7	0	0	0	115.2	R617	R617-N619 PolarHBondContact O-N 3.12Å
620	K	53.4	Low	74.4	Confident	139 Å²	139	77.6 Å²	77.6	60%	0.604	39%	0.385	S	S	*	.	S	Bend	trans	-112.7	118	172.7	-69.4	-173.9	179	-177.8	0	111	R617 S618 H622	R617-K620 PolarHBondContact O-N 2.03Å; S618-K620 PolarHBondContact O-N 3.29Å; S618-K620 VanDerWaalsContact O-N 3.15Å; K620-H622 PolarHBondContact O-N 2.84Å
621	Y	60.3	Low	74.4	Confident	170 Å²	170	78.4 Å²	78.4	67%	0.667	39%	0.39	S	S	*	.			trans	-57.4	133	159.2	-70.4	-95.4	0	0	0	109	I625 K626	Y621-I625 VanDerWaalsContact CA-O 3.28Å; Y621-I625 WeakPolarHBondContact CA-O 3.43Å; Y621-K626 HydrophobicContact CD1-CB 4.32Å; Y621-K626 HydrophobicContact CE1-CB 4.08Å
622	H	59	Low	74.4	Confident	67 Å²	67	80.2 Å²	80.2	31%	0.31	39%	0.392	S	S	.	.	B	Isolated β-bridge	trans	-115.9	133	169.6	-167.9	71.5	0	0	0	106.9	K620 N624 I625 H627 W629	K620-H622 PolarHBondContact O-N 2.84Å; H622-N624 PolarHBondContact O-N 3.06Å; H622-I625 PolarHBondContact N-O 2.92Å; H622-I625 PolarHBondContact O-N 2.74Å; H622-H627 PolarHBondContact O-NE2 2.75Å; H622-H627 VanDerWaalsContact O-NE2 3.14Å; H622-W629 HydrophobicContact CB-CZ2 4.27Å
623	N	61.2	Low	74.5	Confident	114 Å²	114	79.1 Å²	79.1	61%	0.61	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.3	34.9	-174.5	-56.4	-29.2	0	0	0	114.3	I625	N623-I625 PolarHBondContact O-N 3.2Å
624	N	63.9	Low	74.5	Confident	154 Å²	154	79.7 Å²	79.7	82%	0.824	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	63	7.8	-172.9	-59.1	-34.5	0	0	0	116.8	H622	H622-N624 PolarHBondContact O-N 3.06Å
625	I	72.6	Confident	74.4	Confident	80 Å²	80	84.6 Å²	84.6	41%	0.41	42%	0.421	S	S	.	.	B	Isolated β-bridge	trans	-97.5	145	174.2	-63.5	171.5	0	0	0	109.5	Y621 H622 N623 H627 T650	Y621-I625 VanDerWaalsContact CA-O 3.28Å; Y621-I625 WeakPolarHBondContact CA-O 3.43Å; H622-I625 PolarHBondContact N-O 2.92Å; H622-I625 PolarHBondContact O-N 2.74Å; N623-I625 PolarHBondContact O-N 3.2Å; I625-H627 PolarHBondContact O-CD2 2.04Å; I625-H627 VanDerWaalsContact O-CD2 3.26Å; I625-T650 HydrophobicContact CD1-CG2 4.38Å
626	K	76.9	Confident	74.6	Confident	150 Å²	150	84.6 Å²	84.6	65%	0.652	42%	0.418	S	S	*	.			trans	-88.4	114	169.3	-177.1	-171.4	176.5	-171.6	0	108.1	Y621	Y621-K626 HydrophobicContact CD1-CB 4.32Å; Y621-K626 HydrophobicContact CE1-CB 4.08Å
627	H	77.5	Confident	74.9	Confident	3 Å²	3	83.5 Å²	83.5	1%	0.014	41%	0.414	C	S	.	.			trans	-101.8	141.1	-178.7	-59.8	-100.9	0	0	0	112	H622 I625 W629 S647 E649	H622-H627 PolarHBondContact O-NE2 2.75Å; H622-H627 VanDerWaalsContact O-NE2 3.14Å; I625-H627 PolarHBondContact O-CD2 2.04Å; I625-H627 VanDerWaalsContact O-CD2 3.26Å; H627-W629 HydrophobicContact CB-CD2 4.2Å; H627-W629 HydrophobicContact CB-CH2 4.12Å; H627-W629 HydrophobicContact CB-CZ2 3.61Å; H627-W629 AromaticContact CG-CZ2 3.86Å; H627-S647 VanDerWaalsContact ND1-CB 3.35Å; H627-S647 WeakPolarHBondContact ND1-CB 3.36Å; H627-S647 PolarHBondContact ND1-OG 2.84Å; H627-E649 VanDerWaalsContact CA-OE2 3.3Å; H627-E649 WeakPolarHBondContact CA-OE2 3.1Å
628	T	85	Confident	75.6	Confident	69 Å²	69	84 Å²	84	42%	0.423	43%	0.433	S	S	.	.			trans	-92.5	114.7	164	-50.3	0	0	0	0	107.7	K648 E649	T628-K648 PolarHBondContact O-N 3.2Å; T628-E649 WeakPolarHBondContact CB-OE1 3.46Å; T628-E649 PolarHBondContact N-OE1 3.5Å; T628-E649 PolarHBondContact N-OE2 3.34Å; T628-E649 PolarHBondContact OG1-OE1 3.37Å
629	W	85.9	Confident	77	Confident	11 Å²	11	85.9 Å²	85.9	4%	0.042	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	117	-174.5	-62.2	109	0	0	0	111.6	C614 H622 H627 C645 V654 M656	C614-W629 HydrophobicContact CB-CB 3.91Å; H622-W629 HydrophobicContact CB-CZ2 4.27Å; H627-W629 HydrophobicContact CB-CD2 4.2Å; H627-W629 HydrophobicContact CB-CH2 4.12Å; H627-W629 HydrophobicContact CB-CZ2 3.61Å; H627-W629 AromaticContact CG-CZ2 3.86Å; W629-C645 HydrophobicContact CB-CB 4.08Å; W629-C645 HydrophobicContact CD2-CB 4.42Å; W629-C645 HydrophobicContact CE3-CB 3.93Å; W629-V654 HydrophobicContact CH2-CB 3.95Å; W629-V654 HydrophobicContact CH2-CG2 3.76Å; W629-V654 HydrophobicContact CZ3-CB 3.91Å; W629-V654 HydrophobicContact CZ3-CG2 3.9Å; W629-M656 HydrophobicContact CD2-CE 3.52Å; W629-M656 HydrophobicContact CE3-CE 3.57Å; W629-M656 HydrophobicContact CG-CE 4.14Å; W629-M656 HydrophobicContact CH2-CE 3.97Å; W629-M656 HydrophobicContact CZ2-CE 3.91Å; W629-M656 HydrophobicContact CZ3-CE 3.79Å
630	L	87.6	Confident	78.7	Confident	63 Å²	63	79.1 Å²	79.1	33%	0.33	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	151.4	174.2	-57.7	177	0	0	0	110.5	C645 K646 K648	L630-C645 WeakPolarHBondContact O-CA 3.26Å; L630-K646 PolarHBondContact N-O 3.16Å; L630-K646 PolarHBondContact O-N 3.17Å; L630-K648 HydrophobicContact CD1-CB 4.03Å; L630-K648 HydrophobicContact CD1-CG 4.28Å; L630-K648 HydrophobicContact CG-CB 4.23Å
631	P	90.9	Very high	80.6	Confident	20 Å²	20	72.7 Å²	72.7	13%	0.13	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	149.3	171	28.2	-36.1	0	0	0	111.1	R610 A611 I774	R610-P631 HydrophobicContact CG-CB 4.19Å; A611-P631 HydrophobicContact CB-CB 4.21Å; A611-P631 HydrophobicContact CB-CG 3.93Å; P631-I774 HydrophobicContact CB-CG2 4.18Å; P631-I774 HydrophobicContact CG-CB 4.26Å; P631-I774 HydrophobicContact CG-CG2 3.72Å
632	Y	90.4	Very high	82	Confident	63 Å²	63	66.8 Å²	66.8	25%	0.247	35%	0.347	C	S	.	.			trans	-141.2	150.4	175.6	179.1	-105.5	0	0	0	110.1	R610 H634 V653	R610-Y632 WeakPolarHBondContact CD-O 3.35Å; R610-Y632 PolarHBondContact NH1-O 3.45Å; Y632-H634 HydrophobicContact CE1-CB 4.16Å; Y632-V653 HydrophobicContact CD1-CG1 3.58Å; Y632-V653 HydrophobicContact CD2-CG2 4.15Å; Y632-V653 HydrophobicContact CE1-CG1 3.56Å; Y632-V653 HydrophobicContact CE1-CG2 4.41Å; Y632-V653 HydrophobicContact CE2-CG2 4Å; Y632-V653 HydrophobicContact CG-CG1 4.11Å; Y632-V653 HydrophobicContact CG-CG2 4.43Å
633	E	90.2	Very high	83.5	Confident	32 Å²	32	63.9 Å²	63.9	15%	0.15	33%	0.334	C	S	.	.			trans	-117.2	126.4	169.1	-174.1	176.5	158.4	0	0	108.5	K640 S667 Y668 I774	E633-K640 HydrophobicContact CG-CD 4.2Å; E633-K640 HydrophobicContact CG-CG 4.12Å; E633-K640 WeakPolarHBondContact OE1-CD 3.38Å; E633-K640 WeakPolarHBondContact OE1-CE 3.43Å; E633-K640 IonicContact OE1-NZ 2.93Å; E633-K640 PolarHBondContact OE1-NZ 3.31Å; E633-S667 WeakPolarHBondContact OE1-CA 3.06Å; E633-S667 WeakPolarHBondContact OE1-CB 3.28Å; E633-S667 PolarHBondContact OE1-OG 3.02Å; E633-S667 WeakPolarHBondContact OE2-CA 3.26Å; E633-S667 PolarHBondContact OE2-OG 3.29Å; E633-S667 VanDerWaalsContact OE2-OG 3.05Å; E633-Y668 HydrophobicContact CB-CD2 4.28Å; E633-Y668 WeakPolarHBondContact OE2-CD2 3.27Å; E633-Y668 PolarHBondContact OE2-N 3.44Å; E633-I774 HydrophobicContact CB-CD1 4.47Å
634	H	88.6	Confident	84.8	Confident	35 Å²	35	58.7 Å²	58.7	16%	0.162	31%	0.307	C	S	.	.			trans	-80	136.3	179.5	-168.4	-82.7	0	0	0	109.8	Y632 D636 R639 K640	Y632-H634 HydrophobicContact CE1-CB 4.16Å; H634-D636 VanDerWaalsContact C-N 3.32Å; H634-D636 WeakPolarHBondContact ND1-CB 3.17Å; H634-D636 PolarHBondContact ND1-N 3.25Å; H634-D636 PolarHBondContact O-N 3.25Å; H634-R639 HydrophobicContact CB-CB 4.29Å; H634-R639 PolarHBondContact NE2-NH1 3.46Å; H634-K640 VanDerWaalsContact O-CG 3.28Å; H634-K640 WeakPolarHBondContact O-CG 3.47Å
635	P	86.8	Confident	86	Confident	103 Å²	103	51.3 Å²	51.3	67%	0.669	27%	0.268	S	S	*	.	S	Bend	trans	-71	-24.3	-174	27	-35.7	0	0	0	114.1
636	D	86.3	Confident	86.8	Confident	81 Å²	81	51.9 Å²	51.9	43%	0.433	27%	0.267	S	S	.	.	S	Bend	trans	-78.9	119.2	169	175.4	8.3	0	0	0	110.4	H634 A638 R639 K640	H634-D636 VanDerWaalsContact C-N 3.32Å; H634-D636 WeakPolarHBondContact ND1-CB 3.17Å; H634-D636 PolarHBondContact ND1-N 3.25Å; H634-D636 PolarHBondContact O-N 3.25Å; D636-A638 PolarHBondContact O-N 3.4Å; D636-A638 WeakPolarHBondContact OD1-CB 3.26Å; D636-A638 PolarHBondContact OD1-N 2.83Å; D636-R639 PolarHBondContact O-N 2.81Å; D636-K640 PolarHBondContact O-N 3.11Å
637	E	81.9	Confident	87.3	Confident	129 Å²	129	44.8 Å²	44.8	60%	0.603	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-49.7	-41.2	177.7	-60.3	-58.4	147.2	0	0	112.7	R639 K640	E637-R639 PolarHBondContact O-N 2.78Å; E637-K640 VanDerWaalsContact CD-CE 3.48Å; E637-K640 PolarHBondContact O-N 2.81Å; E637-K640 WeakPolarHBondContact OE1-CE 3.16Å; E637-K640 IonicContact OE1-NZ 2.66Å; E637-K640 PolarHBondContact OE1-NZ 3.26Å; E637-K640 VanDerWaalsContact OE2-CD 3.31Å; E637-K640 WeakPolarHBondContact OE2-CD 3.49Å; E637-K640 WeakPolarHBondContact OE2-CE 3.05Å; E637-K640 IonicContact OE2-NZ 3.46Å; E637-K640 PolarHBondContact OE2-NZ 2.63Å
638	A	79.1	Confident	87.7	Confident	81 Å²	81	51.9 Å²	51.9	67%	0.669	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-62.8	-17.6	-177.5	0	0	0	0	0	113.1	D636	D636-A638 PolarHBondContact O-N 3.4Å; D636-A638 WeakPolarHBondContact OD1-CB 3.26Å; D636-A638 PolarHBondContact OD1-N 2.83Å
639	R	86	Confident	87.6	Confident	80 Å²	80	53 Å²	53	30%	0.302	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-116.1	4.3	-175.5	-52.8	-170.3	66.9	-147.1	0.1	113.5	H634 D636 E637 C641 E642	H634-R639 HydrophobicContact CB-CB 4.29Å; H634-R639 PolarHBondContact NE2-NH1 3.46Å; D636-R639 PolarHBondContact O-N 2.81Å; E637-R639 PolarHBondContact O-N 2.78Å; R639-C641 PolarHBondContact O-N 3.22Å; R639-E642 HydrophobicContact CB-CG 4.38Å; R639-E642 WeakPolarHBondContact CG-OE1 3.49Å; R639-E642 IonicContact CZ-OE1 3.62Å; R639-E642 IonicContact CZ-OE2 3.85Å; R639-E642 VanDerWaalsContact CZ-OE2 3.31Å; R639-E642 VanDerWaalsContact NE-CD 3.32Å; R639-E642 IonicContact NE-OE1 3.66Å; R639-E642 PolarHBondContact NE-OE1 3.41Å; R639-E642 IonicContact NE-OE2 2.79Å; R639-E642 PolarHBondContact NE-OE2 2.84Å; R639-E642 IonicContact NH2-OE1 2.8Å; R639-E642 IonicContact NH2-OE2 2.63Å; R639-E642 PolarHBondContact NH2-OE2 3.48Å; R639-E642 WeakPolarHBondContact O-CB 3.29Å; R639-E642 PolarHBondContact O-N 2.65Å; R639-E642 VanDerWaalsContact O-N 3.09Å
640	K	89.1	Confident	87.5	Confident	17 Å²	17	55.5 Å²	55.5	7%	0.074	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-24.5	178.7	-77.8	-173.5	-176.2	175.5	0	114.5	E633 H634 D636 E637	E633-K640 HydrophobicContact CG-CD 4.2Å; E633-K640 HydrophobicContact CG-CG 4.12Å; E633-K640 WeakPolarHBondContact OE1-CD 3.38Å; E633-K640 WeakPolarHBondContact OE1-CE 3.43Å; E633-K640 IonicContact OE1-NZ 2.93Å; E633-K640 PolarHBondContact OE1-NZ 3.31Å; H634-K640 VanDerWaalsContact O-CG 3.28Å; H634-K640 WeakPolarHBondContact O-CG 3.47Å; D636-K640 PolarHBondContact O-N 3.11Å; E637-K640 VanDerWaalsContact CD-CE 3.48Å; E637-K640 PolarHBondContact O-N 2.81Å; E637-K640 WeakPolarHBondContact OE1-CE 3.16Å; E637-K640 IonicContact OE1-NZ 2.66Å; E637-K640 PolarHBondContact OE1-NZ 3.26Å; E637-K640 VanDerWaalsContact OE2-CD 3.31Å; E637-K640 WeakPolarHBondContact OE2-CD 3.49Å; E637-K640 WeakPolarHBondContact OE2-CE 3.05Å; E637-K640 IonicContact OE2-NZ 3.46Å; E637-K640 PolarHBondContact OE2-NZ 2.63Å
641	C	93	Very high	87.3	Confident	4 Å²	4	54.2 Å²	54.2	3%	0.027	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	8.7	176.3	-67.3	0	0	0	0	114	R639 V659 M660 C675 G678	R639-C641 PolarHBondContact O-N 3.22Å; C641-V659 WeakPolarHBondContact O-CA 3.24Å; C641-M660 WeakPolarHBondContact O-CG 3.45Å; C641-M660 PolarHBondContact O-N 2.91Å; C641-C675 WeakPolarHBondContact CA-SG 2.99Å; C641-C675 HydrophobicContact CB-CB 3.74Å; C641-C675 WeakPolarHBondContact CB-SG 3.02Å; C641-C675 WeakPolarHBondContact SG-CA 3.28Å; C641-C675 WeakPolarHBondContact SG-CB 3.12Å; C641-C675 CovalentContact SG-SG 2.04Å; C641-C675 PolarHBondContact SG-SG 3.13Å; C641-G678 VanDerWaalsContact CB-O 3.27Å; C641-G678 WeakPolarHBondContact CB-O 3.06Å
642	E	91.2	Very high	87	Confident	46 Å²	46	57.1 Å²	57.1	22%	0.215	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	134.3	161.4	-71.5	-176.7	-148.5	0	0	110.2	R639 S644 F655 M660	R639-E642 HydrophobicContact CB-CG 4.38Å; R639-E642 WeakPolarHBondContact CG-OE1 3.49Å; R639-E642 IonicContact CZ-OE1 3.62Å; R639-E642 IonicContact CZ-OE2 3.85Å; R639-E642 VanDerWaalsContact CZ-OE2 3.31Å; R639-E642 VanDerWaalsContact NE-CD 3.32Å; R639-E642 IonicContact NE-OE1 3.66Å; R639-E642 PolarHBondContact NE-OE1 3.41Å; R639-E642 IonicContact NE-OE2 2.79Å; R639-E642 PolarHBondContact NE-OE2 2.84Å; R639-E642 IonicContact NH2-OE1 2.8Å; R639-E642 IonicContact NH2-OE2 2.63Å; R639-E642 PolarHBondContact NH2-OE2 3.48Å; R639-E642 WeakPolarHBondContact O-CB 3.29Å; R639-E642 PolarHBondContact O-N 2.65Å; R639-E642 VanDerWaalsContact O-N 3.09Å; E642-S644 VanDerWaalsContact C-N 3.34Å; E642-S644 PolarHBondContact O-N 3.38Å; E642-F655 HydrophobicContact CB-CD2 3.98Å; E642-F655 HydrophobicContact CB-CE2 3.65Å; E642-F655 HydrophobicContact CG-CE2 3.96Å; E642-F655 HydrophobicContact CG-CZ 4.44Å; E642-F655 WeakPolarHBondContact OE2-CD2 3.35Å; E642-F655 WeakPolarHBondContact OE2-CE2 3.06Å; E642-M660 WeakPolarHBondContact O-CE 3.45Å
643	L	88.6	Confident	86.9	Confident	6 Å²	6	57.1 Å²	57.1	3%	0.031	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	89.7	175.9	-177.9	62.8	0	0	0	110.2	Q613 M656 Q658 M660	Q613-L643 HydrophobicContact CB-CD1 3.99Å; Q613-L643 HydrophobicContact CB-CD2 4.4Å; L643-M656 HydrophobicContact CB-CB 4.36Å; L643-M656 HydrophobicContact CD2-CB 4.02Å; L643-M656 HydrophobicContact CD2-CG 4.3Å; L643-M656 HydrophobicContact CG-CB 4.01Å; L643-M656 HydrophobicContact CG-CG 4.12Å; L643-M656 VanDerWaalsContact O-CB 3.29Å; L643-M656 WeakPolarHBondContact O-CB 3.43Å; L643-M656 PolarHBondContact O-N 2.89Å; L643-Q658 WeakPolarHBondContact CB-O 3.35Å; L643-Q658 PolarHBondContact N-O 2.84Å; L643-M660 HydrophobicContact CB-SD 4.25Å; L643-M660 HydrophobicContact CD1-CE 4.01Å; L643-M660 HydrophobicContact CD1-SD 3.62Å
644	S	89.8	Confident	86.7	Confident	5 Å²	5	56.6 Å²	56.6	4%	0.035	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	136.5	169.3	-62.4	0	0	0	0	109.7	E642	E642-S644 VanDerWaalsContact C-N 3.34Å; E642-S644 PolarHBondContact O-N 3.38Å
645	C	89	Confident	86.5	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	150	179.9	-54.3	0	0	0	0	110.2	C614 W629 L630 V654 M656	C614-C645 WeakPolarHBondContact CA-SG 3.36Å; C614-C645 HydrophobicContact CB-CB 3.86Å; C614-C645 WeakPolarHBondContact CB-SG 3.39Å; C614-C645 WeakPolarHBondContact SG-CB 3.24Å; C614-C645 CovalentContact SG-SG 2.04Å; C614-C645 PolarHBondContact SG-SG 3.43Å; W629-C645 HydrophobicContact CB-CB 4.08Å; W629-C645 HydrophobicContact CD2-CB 4.42Å; W629-C645 HydrophobicContact CE3-CB 3.93Å; L630-C645 WeakPolarHBondContact O-CA 3.26Å; C645-V654 PolarHBondContact N-O 2.8Å; C645-V654 PolarHBondContact O-N 2.7Å; C645-M656 HydrophobicContact CB-CE 3.81Å
646	K	90.3	Very high	86.2	Confident	91 Å²	91	54.4 Å²	54.4	40%	0.396	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	133.9	177.7	-172.1	178.5	178.2	-177	0	110.5	L630 G651 E652 V653	L630-K646 PolarHBondContact N-O 3.16Å; L630-K646 PolarHBondContact O-N 3.17Å; K646-G651 VanDerWaalsContact CE-O 3.24Å; K646-G651 WeakPolarHBondContact CE-O 3.31Å; K646-E652 CarbonylContact C-O 3.49Å; K646-E652 WeakPolarHBondContact CA-O 3.44Å; K646-V653 HydrophobicContact CB-CG2 4.23Å; K646-V653 HydrophobicContact CD-CG2 4.48Å; K646-V653 HydrophobicContact CG-CG2 4.09Å
647	S	87.3	Confident	85.8	Confident	1 Å²	1	56.8 Å²	56.8	1%	0.007	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	134.6	170.2	168.9	0	0	0	0	110.7	H627 E649 T650 G651 E652	H627-S647 VanDerWaalsContact ND1-CB 3.35Å; H627-S647 WeakPolarHBondContact ND1-CB 3.36Å; H627-S647 PolarHBondContact ND1-OG 2.84Å; S647-E649 VanDerWaalsContact C-N 3.33Å; S647-E649 PolarHBondContact OG-N 2.72Å; S647-E649 VanDerWaalsContact OG-N 3.14Å; S647-E649 PolarHBondContact OG-OE2 3.15Å; S647-T650 WeakPolarHBondContact CB-OG1 3.25Å; S647-T650 PolarHBondContact OG-N 3.02Å; S647-T650 VanDerWaalsContact OG-N 3.13Å; S647-T650 PolarHBondContact OG-OG1 3.27Å; S647-G651 VanDerWaalsContact O-CA 3.27Å; S647-G651 WeakPolarHBondContact O-CA 3.39Å; S647-G651 PolarHBondContact O-N 2.83Å; S647-G651 VanDerWaalsContact O-N 3.09Å; S647-E652 PolarHBondContact N-O 2.77Å
648	K	84	Confident	85.8	Confident	153 Å²	153	55.3 Å²	55.3	67%	0.665	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-32.2	171.6	-171.1	169.4	-179.1	169.4	0	112.5	T628 L630	T628-K648 PolarHBondContact O-N 3.2Å; L630-K648 HydrophobicContact CD1-CB 4.03Å; L630-K648 HydrophobicContact CD1-CG 4.28Å; L630-K648 HydrophobicContact CG-CB 4.23Å
649	E	84.3	Confident	86.3	Confident	92 Å²	92	55.1 Å²	55.1	43%	0.43	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-37	-172.5	-57.3	76.5	-170.7	0	0	113.7	H627 T628 S647	H627-E649 VanDerWaalsContact CA-OE2 3.3Å; H627-E649 WeakPolarHBondContact CA-OE2 3.1Å; T628-E649 WeakPolarHBondContact CB-OE1 3.46Å; T628-E649 PolarHBondContact N-OE1 3.5Å; T628-E649 PolarHBondContact N-OE2 3.34Å; T628-E649 PolarHBondContact OG1-OE1 3.37Å; S647-E649 VanDerWaalsContact C-N 3.33Å; S647-E649 PolarHBondContact OG-N 2.72Å; S647-E649 VanDerWaalsContact OG-N 3.14Å; S647-E649 PolarHBondContact OG-OE2 3.15Å
650	T	83.2	Confident	86.5	Confident	63 Å²	63	51.3 Å²	51.3	39%	0.387	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.8	-10.1	-178.1	63.3	0	0	0	0	113.7	I625 S647 E652	I625-T650 HydrophobicContact CD1-CG2 4.38Å; S647-T650 WeakPolarHBondContact CB-OG1 3.25Å; S647-T650 PolarHBondContact OG-N 3.02Å; S647-T650 VanDerWaalsContact OG-N 3.13Å; S647-T650 PolarHBondContact OG-OG1 3.27Å; T650-E652 PolarHBondContact O-N 2.89Å; T650-E652 VanDerWaalsContact O-N 3.09Å; T650-E652 VanDerWaalsContact OG1-CB 3.31Å; T650-E652 WeakPolarHBondContact OG1-CB 3.44Å; T650-E652 PolarHBondContact OG1-N 3.2Å
651	G	84.3	Confident	86.6	Confident	37 Å²	37	54.8 Å²	54.8	38%	0.381	28%	0.282	S	S	.	.			trans	69.8	-5.3	-173.6	0	0	0	0	0	114.9	K646 S647	K646-G651 VanDerWaalsContact CE-O 3.24Å; K646-G651 WeakPolarHBondContact CE-O 3.31Å; S647-G651 VanDerWaalsContact O-CA 3.27Å; S647-G651 WeakPolarHBondContact O-CA 3.39Å; S647-G651 PolarHBondContact O-N 2.83Å; S647-G651 VanDerWaalsContact O-N 3.09Å
652	E	84.7	Confident	86.5	Confident	80 Å²	80	56.4 Å²	56.4	37%	0.374	29%	0.29	S	S	.	.			trans	-65.1	135	-177.1	-170.2	177.8	-171.1	0	0	111.5	K646 S647 T650 V654	K646-E652 CarbonylContact C-O 3.49Å; K646-E652 WeakPolarHBondContact CA-O 3.44Å; S647-E652 PolarHBondContact N-O 2.77Å; T650-E652 PolarHBondContact O-N 2.89Å; T650-E652 VanDerWaalsContact O-N 3.09Å; T650-E652 VanDerWaalsContact OG1-CB 3.31Å; T650-E652 WeakPolarHBondContact OG1-CB 3.44Å; T650-E652 PolarHBondContact OG1-N 3.2Å; E652-V654 HydrophobicContact CG-CG2 3.9Å
653	V	88.4	Confident	86.4	Confident	63 Å²	63	54.2 Å²	54.2	38%	0.382	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	117.6	174.2	177.2	0	0	0	0	108.6	Y632 K646	Y632-V653 HydrophobicContact CD1-CG1 3.58Å; Y632-V653 HydrophobicContact CD2-CG2 4.15Å; Y632-V653 HydrophobicContact CE1-CG1 3.56Å; Y632-V653 HydrophobicContact CE1-CG2 4.41Å; Y632-V653 HydrophobicContact CE2-CG2 4Å; Y632-V653 HydrophobicContact CG-CG1 4.11Å; Y632-V653 HydrophobicContact CG-CG2 4.43Å; K646-V653 HydrophobicContact CB-CG2 4.23Å; K646-V653 HydrophobicContact CD-CG2 4.48Å; K646-V653 HydrophobicContact CG-CG2 4.09Å
654	V	84.8	Confident	86.6	Confident	22 Å²	22	54.1 Å²	54.1	13%	0.133	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	126	-176.3	-179.5	0	0	0	0	110	W629 C645 E652 M656	W629-V654 HydrophobicContact CH2-CB 3.95Å; W629-V654 HydrophobicContact CH2-CG2 3.76Å; W629-V654 HydrophobicContact CZ3-CB 3.91Å; W629-V654 HydrophobicContact CZ3-CG2 3.9Å; C645-V654 PolarHBondContact N-O 2.8Å; C645-V654 PolarHBondContact O-N 2.7Å; E652-V654 HydrophobicContact CG-CG2 3.9Å; V654-M656 HydrophobicContact CB-CE 4.3Å; V654-M656 HydrophobicContact CG1-CE 4.39Å
655	F	85.3	Confident	86.7	Confident	75 Å²	75	57 Å²	57	33%	0.329	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	126	167.7	171.8	-126.5	0	0	0	109.9	E642 N657 Q658	E642-F655 HydrophobicContact CB-CD2 3.98Å; E642-F655 HydrophobicContact CB-CE2 3.65Å; E642-F655 HydrophobicContact CG-CE2 3.96Å; E642-F655 HydrophobicContact CG-CZ 4.44Å; E642-F655 WeakPolarHBondContact OE2-CD2 3.35Å; E642-F655 WeakPolarHBondContact OE2-CE2 3.06Å; F655-N657 WeakPolarHBondContact CD1-OD1 3.5Å; F655-N657 HydrophobicContact CE1-CB 4.42Å; F655-N657 VanDerWaalsContact CE1-OD1 3.24Å; F655-N657 WeakPolarHBondContact CE1-OD1 3.46Å; F655-N657 PolarHBondContact O-N 3.03Å; F655-Q658 WeakPolarHBondContact CE2-O 3.32Å
656	M	78.9	Confident	86.8	Confident	16 Å²	16	57.1 Å²	57.1	8%	0.079	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	5.7	-171.3	-68.1	-67.2	162.8	0	0	114.3	R617 W629 L643 C645 V654 Q658	R617-M656 VanDerWaalsContact CZ-O 3.24Å; R617-M656 PolarHBondContact NH1-O 2.86Å; R617-M656 PolarHBondContact NH2-O 3.5Å; W629-M656 HydrophobicContact CD2-CE 3.52Å; W629-M656 HydrophobicContact CE3-CE 3.57Å; W629-M656 HydrophobicContact CG-CE 4.14Å; W629-M656 HydrophobicContact CH2-CE 3.97Å; W629-M656 HydrophobicContact CZ2-CE 3.91Å; W629-M656 HydrophobicContact CZ3-CE 3.79Å; L643-M656 HydrophobicContact CB-CB 4.36Å; L643-M656 HydrophobicContact CD2-CB 4.02Å; L643-M656 HydrophobicContact CD2-CG 4.3Å; L643-M656 HydrophobicContact CG-CB 4.01Å; L643-M656 HydrophobicContact CG-CG 4.12Å; L643-M656 VanDerWaalsContact O-CB 3.29Å; L643-M656 WeakPolarHBondContact O-CB 3.43Å; L643-M656 PolarHBondContact O-N 2.89Å; C645-M656 HydrophobicContact CB-CE 3.81Å; V654-M656 HydrophobicContact CB-CE 4.3Å; V654-M656 HydrophobicContact CG1-CE 4.39Å; M656-Q658 PolarHBondContact O-N 2.85Å
657	N	78.9	Confident	86.8	Confident	132 Å²	132	53 Å²	53	71%	0.706	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	55	39	-171.5	-64.3	-23.7	0	0	0	112.6	F655	F655-N657 WeakPolarHBondContact CD1-OD1 3.5Å; F655-N657 HydrophobicContact CE1-CB 4.42Å; F655-N657 VanDerWaalsContact CE1-OD1 3.24Å; F655-N657 WeakPolarHBondContact CE1-OD1 3.46Å; F655-N657 PolarHBondContact O-N 3.03Å
658	Q	82.2	Confident	86.8	Confident	98 Å²	98	53.7 Å²	53.7	46%	0.458	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	156.4	173.4	-67.8	-167.9	-85.8	0	0	110.2	L643 F655 M656	L643-Q658 WeakPolarHBondContact CB-O 3.35Å; L643-Q658 PolarHBondContact N-O 2.84Å; F655-Q658 WeakPolarHBondContact CE2-O 3.32Å; M656-Q658 PolarHBondContact O-N 2.85Å
659	V	89.7	Confident	86.8	Confident	76 Å²	76	50.1 Å²	50.1	46%	0.461	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	160	167.4	-64.2	0	0	0	0	110.7	C641	C641-V659 WeakPolarHBondContact O-CA 3.24Å
660	M	89.3	Confident	86.9	Confident	1 Å²	1	48 Å²	48	1%	0.005	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-60.3	145	168.8	-65.7	-66.1	-176	0	0	110.8	R610 C641 E642 L643 T664 C675	R610-M660 HydrophobicContact CG-CE 3.63Å; R610-M660 HydrophobicContact CG-SD 3.97Å; C641-M660 WeakPolarHBondContact O-CG 3.45Å; C641-M660 PolarHBondContact O-N 2.91Å; E642-M660 WeakPolarHBondContact O-CE 3.45Å; L643-M660 HydrophobicContact CB-SD 4.25Å; L643-M660 HydrophobicContact CD1-CE 4.01Å; L643-M660 HydrophobicContact CD1-SD 3.62Å; M660-T664 HydrophobicContact SD-CG2 4.34Å; M660-C675 HydrophobicContact CB-CB 3.99Å
661	H	90.6	Very high	86.9	Confident	89 Å²	89	47 Å²	47	41%	0.412	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-65.6	137.7	175	-170.9	-66.2	0	0	0	111.4	S561 F609 Q613 G663 T664	S561-H661 PolarHBondContact O-CE1 3.41Å; S561-H661 VanDerWaalsContact O-CE1 3.28Å; F609-H661 HydrophobicContact CE1-CB 3.82Å; F609-H661 AromaticContact CE1-CG 3.92Å; F609-H661 AromaticContact CE1-ND1 3.8Å; F609-H661 HydrophobicContact CZ-CB 4.12Å; F609-H661 AromaticContact CZ-CG 3.86Å; F609-H661 AromaticContact CZ-ND1 3.8Å; Q613-H661 VanDerWaalsContact OE1-CB 3.29Å; H661-G663 PolarHBondContact O-N 3.36Å; H661-T664 WeakPolarHBondContact O-CB 3.2Å; H661-T664 PolarHBondContact O-N 3.32Å; H661-T664 PolarHBondContact O-OG1 3.47Å
662	D	92.3	Very high	87.1	Confident	38 Å²	38	47.1 Å²	47.1	20%	0.203	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.6	128.3	179	-71.1	12.3	0	0	0	111.5	S561 C675 A676 R677	S561-D662 WeakPolarHBondContact CB-O 3.32Å; S561-D662 PolarHBondContact OG-O 3.03Å; D662-C675 CarbonylContact C-O 3.49Å; D662-C675 WeakPolarHBondContact CA-O 3.4Å; D662-A676 WeakPolarHBondContact OD1-CA 3.49Å; D662-R677 PolarHBondContact OD1-N 3.18Å
663	G	89.7	Confident	87.4	Confident	1 Å²	1	43.5 Å²	43.5	1%	0.01	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.9	10.2	-175.2	0	0	0	0	0	115.7	R562 H661 C675	R562-G663 PolarHBondContact NH1-O 2.96Å; H661-G663 PolarHBondContact O-N 3.36Å; G663-C675 PolarHBondContact N-O 3.49Å
664	T	92.1	Very high	87.6	Confident	3 Å²	3	40.8 Å²	40.8	2%	0.018	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	136.9	163.1	-49.3	0	0	0	0	109.2	F609 R610 Q613 M660 H661 V674 C675	F609-T664 HydrophobicContact CD1-CG2 4.41Å; F609-T664 VanDerWaalsContact CD1-OG1 3.29Å; F609-T664 WeakPolarHBondContact CD1-OG1 3.02Å; R610-T664 HydrophobicContact CB-CG2 3.95Å; Q613-T664 PolarHBondContact NE2-OG1 3.33Å; M660-T664 HydrophobicContact SD-CG2 4.34Å; H661-T664 WeakPolarHBondContact O-CB 3.2Å; H661-T664 PolarHBondContact O-N 3.32Å; H661-T664 PolarHBondContact O-OG1 3.47Å; T664-V674 CarbonylContact O-C 3.55Å; T664-V674 WeakPolarHBondContact O-CA 3.4Å; T664-C675 PolarHBondContact O-N 3.1Å
665	R	91.1	Very high	88	Confident	65 Å²	65	39.7 Å²	39.7	25%	0.245	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	142.2	172.6	-74.9	-178.2	174.8	136.9	-0.6	111.2	Y606 R610 P671 S673 H798	Y606-R665 PolarHBondContact OH-NH1 2.68Å; R610-R665 PolarHBondContact NH2-O 3.1Å; R665-P671 PolarHBondContact NE-O 3.27Å; R665-P671 PolarHBondContact NH2-O 3.37Å; R665-S673 CarbonylContact C-O 3.44Å; R665-S673 WeakPolarHBondContact CA-O 3.43Å; R665-H798 PolarHBondContact NH1-NE2 3.33Å
666	C	91.1	Very high	88.3	Confident	4 Å²	4	36.1 Å²	36.1	3%	0.027	19%	0.191	C	C	.	.	S	Bend	trans	-71.1	-40.2	176	-55.2	0	0	0	0	112.6	R610 S673 V674 C680	R610-C666 VanDerWaalsContact NH2-C 3.26Å; R610-C666 PolarHBondContact NH2-O 3.14Å; C666-S673 PolarHBondContact N-O 3.2Å; C666-S673 VanDerWaalsContact SG-C 3.51Å; C666-V674 PolarHBondContact SG-N 3.17Å; C666-C680 HydrophobicContact CB-CB 3.93Å; C666-C680 WeakPolarHBondContact CB-SG 3.39Å; C666-C680 WeakPolarHBondContact SG-CA 3.07Å; C666-C680 WeakPolarHBondContact SG-CB 3.31Å; C666-C680 CovalentContact SG-SG 2.03Å; C666-C680 PolarHBondContact SG-SG 2.56Å
667	S	90.5	Very high	88.5	Confident	4 Å²	4	41.9 Å²	41.9	3%	0.028	21%	0.212	C	C	.	.			trans	-133.6	164.4	-176.9	-173.7	0	0	0	0	110.9	E633 S669 D670	E633-S667 WeakPolarHBondContact OE1-CA 3.06Å; E633-S667 WeakPolarHBondContact OE1-CB 3.28Å; E633-S667 PolarHBondContact OE1-OG 3.02Å; E633-S667 WeakPolarHBondContact OE2-CA 3.26Å; E633-S667 PolarHBondContact OE2-OG 3.29Å; E633-S667 VanDerWaalsContact OE2-OG 3.05Å; S667-S669 PolarHBondContact OG-N 2.82Å; S667-S669 PolarHBondContact OG-OG 2.82Å; S667-D670 VanDerWaalsContact O-O 3.13Å
668	Y	87.6	Confident	88.9	Confident	15 Å²	15	36.7 Å²	36.7	6%	0.059	19%	0.189	C	C	.	.	S	Bend	trans	-91.6	-7.4	164.8	-64.3	-80.8	0	0	0	113.2	D608 R610 E633 I774 G777	D608-Y668 VanDerWaalsContact OD2-CE1 3.31Å; D608-Y668 WeakPolarHBondContact OD2-CE1 3.4Å; D608-Y668 PolarHBondContact OD2-OH 3.15Å; R610-Y668 WeakPolarHBondContact CB-OH 3.43Å; R610-Y668 VanDerWaalsContact CD-OH 3.32Å; R610-Y668 WeakPolarHBondContact CD-OH 3.32Å; E633-Y668 HydrophobicContact CB-CD2 4.28Å; E633-Y668 WeakPolarHBondContact OE2-CD2 3.27Å; E633-Y668 PolarHBondContact OE2-N 3.44Å; Y668-I774 HydrophobicContact CD1-CG2 3.99Å; Y668-I774 HydrophobicContact CD2-CD1 3.71Å; Y668-I774 HydrophobicContact CD2-CG1 3.91Å; Y668-I774 HydrophobicContact CD2-CG2 4.09Å; Y668-I774 HydrophobicContact CE1-CG2 3.53Å; Y668-I774 HydrophobicContact CE2-CD1 3.63Å; Y668-I774 HydrophobicContact CE2-CG1 4.06Å; Y668-I774 HydrophobicContact CE2-CG2 3.67Å; Y668-I774 HydrophobicContact CG-CG1 4.32Å; Y668-I774 HydrophobicContact CG-CG2 4.23Å; Y668-G777 WeakPolarHBondContact CD1-O 3.43Å
669	S	84.1	Confident	89.2	Confident	79 Å²	79	38.3 Å²	38.3	55%	0.552	20%	0.197	S	C	*	.	S	Bend	trans	-92.7	-31.4	172.4	62.2	0	0	0	0	113.3	S667	S667-S669 PolarHBondContact OG-N 2.82Å; S667-S669 PolarHBondContact OG-OG 2.82Å
670	D	86.4	Confident	89.3	Confident	46 Å²	46	37.7 Å²	37.7	25%	0.246	20%	0.195	C	C	.	.			trans	-97.8	112.2	170.8	-177.3	-29.4	0	0	0	109.9	S667 F672 S673	S667-D670 VanDerWaalsContact O-O 3.13Å; D670-F672 VanDerWaalsContact C-N 3.33Å; D670-F672 PolarHBondContact O-N 3.14Å; D670-F672 PolarHBondContact OD1-N 3.19Å; D670-S673 VanDerWaalsContact CG-OG 3.25Å; D670-S673 PolarHBondContact OD1-N 2.78Å; D670-S673 PolarHBondContact OD1-OG 2.91Å; D670-S673 WeakPolarHBondContact OD2-CB 3.43Å; D670-S673 PolarHBondContact OD2-OG 3.17Å
671	P	82.3	Confident	89.4	Confident	42 Å²	42	38.8 Å²	38.8	27%	0.273	20%	0.201	S	C	.	.	S	Bend	trans	-80.7	-7.9	-175.8	32	-34.4	0	0	0	114.5	R665	R665-P671 PolarHBondContact NE-O 3.27Å; R665-P671 PolarHBondContact NH2-O 3.37Å
672	F	88.4	Confident	89.5	Confident	41 Å²	41	37.8 Å²	37.8	18%	0.18	20%	0.196	C	C	.	.	S	Bend	trans	-114.5	-42.4	-171.2	-64	-61.7	0	0	0	114.2	D670 V674 V683 C685 E695	D670-F672 VanDerWaalsContact C-N 3.33Å; D670-F672 PolarHBondContact O-N 3.14Å; D670-F672 PolarHBondContact OD1-N 3.19Å; F672-V674 PolarHBondContact O-N 3.28Å; F672-V683 HydrophobicContact CB-CB 4.26Å; F672-V683 WeakPolarHBondContact CB-O 3.48Å; F672-C685 HydrophobicContact CE2-CB 3.9Å; F672-C685 HydrophobicContact CZ-CB 3.99Å; F672-E695 HydrophobicContact CE2-CG 3.81Å; F672-E695 VanDerWaalsContact CZ-CD 3.41Å; F672-E695 HydrophobicContact CZ-CG 3.71Å
673	S	91.8	Very high	89.4	Confident	3 Å²	3	36.1 Å²	36.1	2%	0.021	19%	0.188	C	C	.	.			trans	-64.7	133.1	-175.7	-59.3	0	0	0	0	111.5	R665 C666 D670 L681 H682	R665-S673 CarbonylContact C-O 3.44Å; R665-S673 WeakPolarHBondContact CA-O 3.43Å; C666-S673 PolarHBondContact N-O 3.2Å; C666-S673 VanDerWaalsContact SG-C 3.51Å; D670-S673 VanDerWaalsContact CG-OG 3.25Å; D670-S673 PolarHBondContact OD1-N 2.78Å; D670-S673 PolarHBondContact OD1-OG 2.91Å; D670-S673 WeakPolarHBondContact OD2-CB 3.43Å; D670-S673 PolarHBondContact OD2-OG 3.17Å; S673-L681 CarbonylContact C-O 3.58Å; S673-L681 VanDerWaalsContact CA-O 3.23Å; S673-L681 WeakPolarHBondContact CA-O 3.39Å; S673-L681 VanDerWaalsContact CB-O 3.29Å; S673-L681 WeakPolarHBondContact CB-O 3.23Å; S673-H682 WeakPolarHBondContact OG-CA 3.38Å; S673-H682 PolarHBondContact OG-ND1 2.99Å; S673-H682 VanDerWaalsContact OG-ND1 3.13Å
674	V	92.9	Very high	89.4	Confident	6 Å²	6	36.1 Å²	36.1	4%	0.036	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	142.2	-172	-75	0	0	0	0	112.7	V568 M596 T664 C666 F672 L681 V683	V568-V674 HydrophobicContact CG2-CB 4.47Å; V568-V674 HydrophobicContact CG2-CG2 3.65Å; M596-V674 HydrophobicContact CE-CG1 4.43Å; M596-V674 HydrophobicContact CE-CG2 4.41Å; M596-V674 HydrophobicContact SD-CG2 3.84Å; T664-V674 CarbonylContact O-C 3.55Å; T664-V674 WeakPolarHBondContact O-CA 3.4Å; C666-V674 PolarHBondContact SG-N 3.17Å; F672-V674 PolarHBondContact O-N 3.28Å; V674-L681 PolarHBondContact N-O 2.92Å; V674-L681 WeakPolarHBondContact O-CB 3.46Å; V674-L681 PolarHBondContact O-N 3.14Å; V674-V683 HydrophobicContact CG2-CG2 3.98Å
675	C	93.1	Very high	89.3	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	136	171.7	-61.3	0	0	0	0	111	C641 M660 D662 G663 T664 E679	C641-C675 WeakPolarHBondContact CA-SG 2.99Å; C641-C675 HydrophobicContact CB-CB 3.74Å; C641-C675 WeakPolarHBondContact CB-SG 3.02Å; C641-C675 WeakPolarHBondContact SG-CA 3.28Å; C641-C675 WeakPolarHBondContact SG-CB 3.12Å; C641-C675 CovalentContact SG-SG 2.04Å; C641-C675 PolarHBondContact SG-SG 3.13Å; M660-C675 HydrophobicContact CB-CB 3.99Å; D662-C675 CarbonylContact C-O 3.49Å; D662-C675 WeakPolarHBondContact CA-O 3.4Å; G663-C675 PolarHBondContact N-O 3.49Å; T664-C675 PolarHBondContact O-N 3.1Å; C675-E679 CarbonylContact C-O 3.51Å; C675-E679 VanDerWaalsContact CA-O 3.3Å; C675-E679 WeakPolarHBondContact CA-O 3.42Å
676	A	90.9	Very high	89.2	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	127.1	163.7	0	0	0	0	0	109.2	Y594 D662 G678 E679 L681	Y594-A676 HydrophobicContact CD1-CB 4.15Å; Y594-A676 HydrophobicContact CE1-CB 3.87Å; D662-A676 WeakPolarHBondContact OD1-CA 3.49Å; A676-G678 PolarHBondContact O-N 2.78Å; A676-E679 PolarHBondContact N-O 3.38Å; A676-E679 PolarHBondContact O-N 3.28Å; A676-L681 HydrophobicContact CB-CD1 3.55Å; A676-L681 HydrophobicContact CB-CG 4.02Å
677	R	84.6	Confident	89	Confident	137 Å²	137	40.4 Å²	40.4	52%	0.517	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	17.4	177.1	-58.8	-177.9	59.8	-163.7	-5.8	116.3	F592 Y594 D662	F592-R677 VanDerWaalsContact CD2-NH1 3.35Å; Y594-R677 WeakPolarHBondContact OH-CD 3.47Å; D662-R677 PolarHBondContact OD1-N 3.18Å
678	G	86.4	Confident	88.9	Confident	22 Å²	22	46.5 Å²	46.5	23%	0.227	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	102.1	-7.7	-177.8	0	0	0	0	0	115.1	C641 A676	C641-G678 VanDerWaalsContact CB-O 3.27Å; C641-G678 WeakPolarHBondContact CB-O 3.06Å; A676-G678 PolarHBondContact O-N 2.78Å
679	E	89	Confident	88.9	Confident	133 Å²	133	48.4 Å²	48.4	62%	0.621	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100	150.4	173.6	-65.6	174.3	167.6	0	0	110.2	C675 A676	C675-E679 CarbonylContact C-O 3.51Å; C675-E679 VanDerWaalsContact CA-O 3.3Å; C675-E679 WeakPolarHBondContact CA-O 3.42Å; A676-E679 PolarHBondContact N-O 3.38Å; A676-E679 PolarHBondContact O-N 3.28Å
680	C	91.6	Very high	89	Confident	62 Å²	62	46.7 Å²	46.7	42%	0.419	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	123.6	170.6	-178.4	0	0	0	0	110.5	C666	C666-C680 HydrophobicContact CB-CB 3.93Å; C666-C680 WeakPolarHBondContact CB-SG 3.39Å; C666-C680 WeakPolarHBondContact SG-CA 3.07Å; C666-C680 WeakPolarHBondContact SG-CB 3.31Å; C666-C680 CovalentContact SG-SG 2.03Å; C666-C680 PolarHBondContact SG-SG 2.56Å
681	L	91.3	Very high	89.1	Confident	24 Å²	24	45.4 Å²	45.4	13%	0.126	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	124.2	172.4	-55.4	179.8	0	0	0	109.7	Y594 S673 V674 A676 V689	Y594-L681 HydrophobicContact CD1-CD1 4.08Å; Y594-L681 HydrophobicContact CD2-CD1 3.46Å; Y594-L681 VanDerWaalsContact CD2-CD1 3.46Å; Y594-L681 HydrophobicContact CD2-CD2 3.99Å; Y594-L681 HydrophobicContact CD2-CG 4.4Å; Y594-L681 HydrophobicContact CE2-CD1 4.05Å; Y594-L681 HydrophobicContact CE2-CD2 4.06Å; Y594-L681 HydrophobicContact CG-CD1 3.46Å; Y594-L681 VanDerWaalsContact CG-CD1 3.46Å; S673-L681 CarbonylContact C-O 3.58Å; S673-L681 VanDerWaalsContact CA-O 3.23Å; S673-L681 WeakPolarHBondContact CA-O 3.39Å; S673-L681 VanDerWaalsContact CB-O 3.29Å; S673-L681 WeakPolarHBondContact CB-O 3.23Å; V674-L681 PolarHBondContact N-O 2.92Å; V674-L681 WeakPolarHBondContact O-CB 3.46Å; V674-L681 PolarHBondContact O-N 3.14Å; A676-L681 HydrophobicContact CB-CD1 3.55Å; A676-L681 HydrophobicContact CB-CG 4.02Å; L681-V689 HydrophobicContact CB-CG1 4.25Å; L681-V689 HydrophobicContact CD1-CG1 4.43Å
682	H	91.8	Very high	89.4	Confident	68 Å²	68	52.8 Å²	52.8	32%	0.315	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-69.7	136.3	170.4	-171.9	47.9	0	0	0	110.7	S673 G690 Y692	S673-H682 WeakPolarHBondContact OG-CA 3.38Å; S673-H682 PolarHBondContact OG-ND1 2.99Å; S673-H682 VanDerWaalsContact OG-ND1 3.13Å; H682-G690 PolarHBondContact O-N 3.42Å; H682-Y692 AromaticContact CD2-CD1 3.55Å; H682-Y692 AromaticContact CD2-CE1 3.62Å; H682-Y692 AromaticContact NE2-CD1 3.46Å; H682-Y692 WeakPolarHBondContact NE2-CD1 3.36Å; H682-Y692 AromaticContact NE2-CE1 3.99Å
683	V	91.9	Very high	89.4	Confident	3 Å²	3	54.2 Å²	54.2	2%	0.018	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-138.7	136.3	-179.3	-174.1	0	0	0	0	108.3	M596 F672 V674 V689	M596-V683 HydrophobicContact CG-CG1 4Å; M596-V683 HydrophobicContact SD-CG1 4.48Å; M596-V683 HydrophobicContact SD-CG2 4.35Å; F672-V683 HydrophobicContact CB-CB 4.26Å; F672-V683 WeakPolarHBondContact CB-O 3.48Å; V674-V683 HydrophobicContact CG2-CG2 3.98Å; V683-V689 HydrophobicContact CG2-CG2 4.14Å
684	G	89.7	Confident	89.2	Confident	1 Å²	1	59.9 Å²	59.9	1%	0.01	30%	0.302	C	S	.	.			trans	-81	171.4	178.3	0	0	0	0	0	113.4	D686 K687 E688 S691 K693	G684-D686 PolarHBondContact O-N 3.14Å; G684-D686 VanDerWaalsContact O-N 3.17Å; G684-K687 WeakPolarHBondContact O-CA 3.38Å; G684-K687 PolarHBondContact O-N 3.01Å; G684-E688 PolarHBondContact N-O 3.04Å; G684-S691 WeakPolarHBondContact CA-O 3.06Å; G684-S691 PolarHBondContact N-O 3.31Å; G684-S691 VanDerWaalsContact N-O 3.14Å; G684-K693 WeakPolarHBondContact CA-O 3.25Å
685	C	88.9	Confident	89	Confident	12 Å²	12	62.2 Å²	62.2	8%	0.081	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-19.9	172.8	55.9	0	0	0	0	114.2	F672 K687 K693 D694 E695 C701	F672-C685 HydrophobicContact CE2-CB 3.9Å; F672-C685 HydrophobicContact CZ-CB 3.99Å; C685-K687 PolarHBondContact O-N 2.74Å; C685-K693 PolarHBondContact N-O 2.87Å; C685-K693 VanDerWaalsContact SG-CB 3.55Å; C685-K693 PolarHBondContact SG-O 2.68Å; C685-D694 PolarHBondContact SG-O 2.97Å; C685-E695 HydrophobicContact CB-CB 4.48Å; C685-E695 HydrophobicContact CB-CG 3.58Å; C685-C701 HydrophobicContact CB-CB 3.54Å; C685-C701 WeakPolarHBondContact CB-SG 3.15Å; C685-C701 WeakPolarHBondContact SG-CA 3.31Å; C685-C701 WeakPolarHBondContact SG-CB 3.36Å; C685-C701 CovalentContact SG-SG 2.03Å; C685-C701 PolarHBondContact SG-SG 3.08Å
686	D	89	Confident	88.8	Confident	52 Å²	52	63 Å²	63	28%	0.278	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-8.8	172.7	55.7	10.2	0	0	0	112.8	G684 E688 S691 K693 C701	G684-D686 PolarHBondContact O-N 3.14Å; G684-D686 VanDerWaalsContact O-N 3.17Å; D686-E688 VanDerWaalsContact C-N 3.28Å; D686-E688 HydrophobicContact CB-CG 4.47Å; D686-E688 PolarHBondContact OD1-N 3.04Å; D686-S691 WeakPolarHBondContact OD1-CB 3.11Å; D686-S691 PolarHBondContact OD1-OG 3.04Å; D686-S691 VanDerWaalsContact OD2-CB 3.29Å; D686-S691 WeakPolarHBondContact OD2-CB 3.45Å; D686-S691 PolarHBondContact OD2-OG 3.39Å; D686-K693 WeakPolarHBondContact OD2-CD 3.22Å; D686-C701 PolarHBondContact N-SG 3.07Å
687	K	86.8	Confident	88.5	Confident	98 Å²	98	68.9 Å²	68.9	43%	0.426	34%	0.342	S	S	.	.	S	Bend	trans	68.3	22.3	-173.3	-46.9	-176.7	-178.3	-177.4	0	113.3	M596 T599 G684 C685	M596-K687 WeakPolarHBondContact CB-O 3Å; M596-K687 VanDerWaalsContact CG-O 3.23Å; M596-K687 WeakPolarHBondContact CG-O 3.39Å; T599-K687 HydrophobicContact CG2-CD 4.17Å; T599-K687 PolarHBondContact O-NZ 2.85Å; G684-K687 WeakPolarHBondContact O-CA 3.38Å; G684-K687 PolarHBondContact O-N 3.01Å; C685-K687 PolarHBondContact O-N 2.74Å
688	E	88.8	Confident	88.5	Confident	133 Å²	133	62.5 Å²	62.5	62%	0.621	32%	0.319	S	S	*	.			trans	-95.4	134	172	-58	-158.3	160.6	0	0	111.2	G684 D686 S691	G684-E688 PolarHBondContact N-O 3.04Å; D686-E688 VanDerWaalsContact C-N 3.28Å; D686-E688 HydrophobicContact CB-CG 4.47Å; D686-E688 PolarHBondContact OD1-N 3.04Å; E688-S691 WeakPolarHBondContact O-CB 3.4Å; E688-S691 PolarHBondContact O-N 3.44Å
689	V	88.6	Confident	88.4	Confident	55 Å²	55	62.5 Å²	62.5	33%	0.333	32%	0.319	S	S	.	.	B	Isolated β-bridge	trans	-75.6	128.4	-176.1	-175.9	0	0	0	0	109.3	Y594 M596 L681 V683 S691	Y594-V689 VanDerWaalsContact O-CG2 3.32Å; Y594-V689 WeakPolarHBondContact O-CG2 3.32Å; M596-V689 HydrophobicContact CG-CG2 4.23Å; L681-V689 HydrophobicContact CB-CG1 4.25Å; L681-V689 HydrophobicContact CD1-CG1 4.43Å; V683-V689 HydrophobicContact CG2-CG2 4.14Å; V689-S691 VanDerWaalsContact C-N 3.32Å
690	G	84.4	Confident	88.4	Confident	43 Å²	43	58 Å²	58	44%	0.443	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.2	7.9	-172.9	0	0	0	0	0	114.9	H682	H682-G690 PolarHBondContact O-N 3.42Å
691	S	90	Very high	88.4	Confident	19 Å²	19	57.2 Å²	57.2	13%	0.133	30%	0.295	C	S	.	.			trans	-80.4	124.1	171.5	-172	0	0	0	0	110.7	G684 D686 E688 V689 K693	G684-S691 WeakPolarHBondContact CA-O 3.06Å; G684-S691 PolarHBondContact N-O 3.31Å; G684-S691 VanDerWaalsContact N-O 3.14Å; D686-S691 WeakPolarHBondContact OD1-CB 3.11Å; D686-S691 PolarHBondContact OD1-OG 3.04Å; D686-S691 VanDerWaalsContact OD2-CB 3.29Å; D686-S691 WeakPolarHBondContact OD2-CB 3.45Å; D686-S691 PolarHBondContact OD2-OG 3.39Å; E688-S691 WeakPolarHBondContact O-CB 3.4Å; E688-S691 PolarHBondContact O-N 3.44Å; V689-S691 VanDerWaalsContact C-N 3.32Å; S691-K693 PolarHBondContact O-N 3.13Å; S691-K693 WeakPolarHBondContact OG-CG 3.04Å
692	Y	87.3	Confident	88.2	Confident	197 Å²	197	62.5 Å²	62.5	77%	0.773	32%	0.319	S	S	*	.			trans	-89.7	40	177.1	-61	-79.2	0	0	0	112	H682	H682-Y692 AromaticContact CD2-CD1 3.55Å; H682-Y692 AromaticContact CD2-CE1 3.62Å; H682-Y692 AromaticContact NE2-CD1 3.46Å; H682-Y692 WeakPolarHBondContact NE2-CD1 3.36Å; H682-Y692 AromaticContact NE2-CE1 3.99Å
693	K	89.2	Confident	87.9	Confident	70 Å²	70	60.3 Å²	60.3	30%	0.304	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-100.4	124.8	179.4	-67.9	-175.5	178.7	-160.4	0	110	G684 C685 D686 S691 E702	G684-K693 WeakPolarHBondContact CA-O 3.25Å; C685-K693 PolarHBondContact N-O 2.87Å; C685-K693 VanDerWaalsContact SG-CB 3.55Å; C685-K693 PolarHBondContact SG-O 2.68Å; D686-K693 WeakPolarHBondContact OD2-CD 3.22Å; S691-K693 PolarHBondContact O-N 3.13Å; S691-K693 WeakPolarHBondContact OG-CG 3.04Å; K693-E702 HydrophobicContact CB-CG 4.28Å; K693-E702 VanDerWaalsContact CD-CD 3.41Å; K693-E702 HydrophobicContact CD-CG 3.84Å; K693-E702 WeakPolarHBondContact CD-OE1 3.16Å; K693-E702 WeakPolarHBondContact CE-OE1 3.31Å; K693-E702 WeakPolarHBondContact CE-OE2 3.36Å; K693-E702 HydrophobicContact CG-CG 4.06Å; K693-E702 IonicContact NZ-OE1 3.65Å; K693-E702 PolarHBondContact NZ-OE1 2.99Å; K693-E702 IonicContact NZ-OE2 2.77Å; K693-E702 PolarHBondContact NZ-OE2 3.2Å
694	D	86.9	Confident	87.6	Confident	123 Å²	123	65.6 Å²	65.6	66%	0.658	34%	0.343	S	S	*	.	P	Polyproline II helix	trans	-97.1	153.8	177.5	-65.1	-51.9	0	0	0	112.3	C685 E702	C685-D694 PolarHBondContact SG-O 2.97Å; D694-E702 PolarHBondContact O-N 3.43Å; D694-E702 VanDerWaalsContact O-N 3.14Å
695	E	88.2	Confident	87.4	Confident	54 Å²	54	68.8 Å²	68.8	25%	0.252	36%	0.36	S	S	.	.	B	Isolated β-bridge	trans	-73.8	146.8	164.5	-74.1	-175.5	136.4	0	0	111.1	F672 C685 G699 R735	F672-E695 HydrophobicContact CE2-CG 3.81Å; F672-E695 VanDerWaalsContact CZ-CD 3.41Å; F672-E695 HydrophobicContact CZ-CG 3.71Å; C685-E695 HydrophobicContact CB-CB 4.48Å; C685-E695 HydrophobicContact CB-CG 3.58Å; E695-G699 WeakPolarHBondContact OE1-CA 3.3Å; E695-R735 IonicContact OE1-CZ 3.78Å; E695-R735 IonicContact OE1-NH1 2.66Å; E695-R735 IonicContact OE1-NH2 2.75Å; E695-R735 PolarHBondContact OE1-NH2 3.41Å; E695-R735 IonicContact OE2-CZ 3.06Å; E695-R735 IonicContact OE2-NH1 3.42Å; E695-R735 PolarHBondContact OE2-NH1 2.91Å; E695-R735 IonicContact OE2-NH2 2.83Å; E695-R735 PolarHBondContact OE2-NH2 2.89Å
696	D	88.9	Confident	87.1	Confident	17 Å²	17	71.3 Å²	71.3	9%	0.091	38%	0.377	C	S	.	.			trans	-72.2	178.9	161.5	78.7	-4.2	0	0	0	111.9	C698 G699 V700 G703 N705	D696-C698 PolarHBondContact O-N 2.99Å; D696-C698 VanDerWaalsContact OD1-CA 3.28Å; D696-C698 WeakPolarHBondContact OD1-CA 3.08Å; D696-C698 WeakPolarHBondContact OD1-CB 3.25Å; D696-C698 PolarHBondContact OD1-N 3.11Å; D696-G699 PolarHBondContact O-N 3.22Å; D696-G699 PolarHBondContact OD1-N 2.84Å; D696-V700 PolarHBondContact N-O 3.27Å; D696-V700 PolarHBondContact OD1-N 2.96Å; D696-G703 WeakPolarHBondContact CB-O 3.42Å; D696-G703 WeakPolarHBondContact OD2-CA 3.44Å; D696-N705 WeakPolarHBondContact OD2-CA 3.23Å; D696-N705 PolarHBondContact OD2-N 2.81Å
697	K	86.3	Confident	86.7	Confident	123 Å²	123	73.5 Å²	73.5	54%	0.535	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-13.2	179.4	-65	164.3	-169.9	153.9	0	113.6	N705 I821	K697-N705 WeakPolarHBondContact CB-OD1 3.01Å; K697-N705 WeakPolarHBondContact CD-OD1 3.25Å; K697-N705 WeakPolarHBondContact CG-OD1 3.46Å; K697-N705 PolarHBondContact N-OD1 3.28Å; K697-N705 VanDerWaalsContact N-OD1 3.11Å; K697-I821 HydrophobicContact CB-CD1 3.97Å; K697-I821 VanDerWaalsContact O-CG2 3.3Å; K697-I821 WeakPolarHBondContact O-CG2 3.31Å
698	C	84	Confident	86.6	Confident	4 Å²	4	70 Å²	70	3%	0.027	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-20.3	177.2	-52.5	0	0	0	0	112.6	D696 V700 C708	D696-C698 PolarHBondContact O-N 2.99Å; D696-C698 VanDerWaalsContact OD1-CA 3.28Å; D696-C698 WeakPolarHBondContact OD1-CA 3.08Å; D696-C698 WeakPolarHBondContact OD1-CB 3.25Å; D696-C698 PolarHBondContact OD1-N 3.11Å; C698-V700 HydrophobicContact CB-CG2 4.06Å; C698-C708 WeakPolarHBondContact CA-SG 3.29Å; C698-C708 HydrophobicContact CB-CB 3.32Å; C698-C708 WeakPolarHBondContact CB-SG 3.3Å; C698-C708 WeakPolarHBondContact SG-CB 3.5Å; C698-C708 PolarHBondContact SG-N 2.81Å; C698-C708 CovalentContact SG-SG 2.02Å; C698-C708 PolarHBondContact SG-SG 3.43Å
699	G	84.9	Confident	86.4	Confident	22 Å²	22	68.8 Å²	68.8	23%	0.227	36%	0.363	C	S	.	.	S	Bend	trans	85.2	30.8	-165.3	0	0	0	0	0	113.2	E695 D696 R735	E695-G699 WeakPolarHBondContact OE1-CA 3.3Å; D696-G699 PolarHBondContact O-N 3.22Å; D696-G699 PolarHBondContact OD1-N 2.84Å; G699-R735 VanDerWaalsContact CA-NH2 3.25Å
700	V	88.8	Confident	86.4	Confident	39 Å²	39	70 Å²	70	24%	0.236	37%	0.37	C	S	.	.			trans	-109.5	124.2	174.1	-177.8	0	0	0	0	108.6	D696 C698 E702 G703 H707	D696-V700 PolarHBondContact N-O 3.27Å; D696-V700 PolarHBondContact OD1-N 2.96Å; C698-V700 HydrophobicContact CB-CG2 4.06Å; V700-E702 PolarHBondContact O-N 3.5Å; V700-G703 PolarHBondContact O-N 3.25Å; V700-H707 HydrophobicContact CG2-CB 4.16Å
701	C	90.4	Very high	86.6	Confident	44 Å²	44	69.2 Å²	69.2	30%	0.297	36%	0.357	S	S	.	.	B	Isolated β-bridge	trans	-66.1	127.7	179.7	-170.3	0	0	0	0	111.3	C685 D686 G703	C685-C701 HydrophobicContact CB-CB 3.54Å; C685-C701 WeakPolarHBondContact CB-SG 3.15Å; C685-C701 WeakPolarHBondContact SG-CA 3.31Å; C685-C701 WeakPolarHBondContact SG-CB 3.36Å; C685-C701 CovalentContact SG-SG 2.03Å; C685-C701 PolarHBondContact SG-SG 3.08Å; D686-C701 PolarHBondContact N-SG 3.07Å; C701-G703 PolarHBondContact O-N 2.95Å
702	E	87.6	Confident	86.6	Confident	135 Å²	135	75 Å²	75	63%	0.631	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	26.2	-168.8	-63.8	178.4	131.5	0	0	113.8	K693 D694 V700	K693-E702 HydrophobicContact CB-CG 4.28Å; K693-E702 VanDerWaalsContact CD-CD 3.41Å; K693-E702 HydrophobicContact CD-CG 3.84Å; K693-E702 WeakPolarHBondContact CD-OE1 3.16Å; K693-E702 WeakPolarHBondContact CE-OE1 3.31Å; K693-E702 WeakPolarHBondContact CE-OE2 3.36Å; K693-E702 HydrophobicContact CG-CG 4.06Å; K693-E702 IonicContact NZ-OE1 3.65Å; K693-E702 PolarHBondContact NZ-OE1 2.99Å; K693-E702 IonicContact NZ-OE2 2.77Å; K693-E702 PolarHBondContact NZ-OE2 3.2Å; D694-E702 PolarHBondContact O-N 3.43Å; D694-E702 VanDerWaalsContact O-N 3.14Å; V700-E702 PolarHBondContact O-N 3.5Å
703	G	84.7	Confident	86.6	Confident	22 Å²	22	69.7 Å²	69.7	23%	0.227	36%	0.364	C	S	.	.			trans	-70	154.6	-177.5	0	0	0	0	0	114.1	D696 V700 C701	D696-G703 WeakPolarHBondContact CB-O 3.42Å; D696-G703 WeakPolarHBondContact OD2-CA 3.44Å; V700-G703 PolarHBondContact O-N 3.25Å; C701-G703 PolarHBondContact O-N 2.95Å
704	D	87.3	Confident	86.5	Confident	114 Å²	114	69.5 Å²	69.5	61%	0.61	37%	0.369	S	S	*	.			trans	-91	4	177.9	68.9	-14.8	0	0	0	113.4	S706	D704-S706 VanDerWaalsContact C-N 3.32Å; D704-S706 VanDerWaalsContact CG-OG 3.31Å; D704-S706 WeakPolarHBondContact OD1-CB 3.26Å; D704-S706 PolarHBondContact OD1-N 3.4Å; D704-S706 PolarHBondContact OD1-OG 3.44Å; D704-S706 PolarHBondContact OD2-OG 3.3Å
705	N	83.8	Confident	86.4	Confident	69 Å²	69	65.7 Å²	65.7	37%	0.369	35%	0.348	S	S	.	.	S	Bend	trans	69.8	15.1	-171	-46.3	-106.8	0	0	0	114.8	D696 K697	D696-N705 WeakPolarHBondContact OD2-CA 3.23Å; D696-N705 PolarHBondContact OD2-N 2.81Å; K697-N705 WeakPolarHBondContact CB-OD1 3.01Å; K697-N705 WeakPolarHBondContact CD-OD1 3.25Å; K697-N705 WeakPolarHBondContact CG-OD1 3.46Å; K697-N705 PolarHBondContact N-OD1 3.28Å; K697-N705 VanDerWaalsContact N-OD1 3.11Å
706	S	83.3	Confident	86.3	Confident	64 Å²	64	66.8 Å²	66.8	45%	0.448	36%	0.359	S	S	.	.			trans	-81.6	-23.4	178.9	67.5	0	0	0	0	114.7	D704 C708	D704-S706 VanDerWaalsContact C-N 3.32Å; D704-S706 VanDerWaalsContact CG-OG 3.31Å; D704-S706 WeakPolarHBondContact OD1-CB 3.26Å; D704-S706 PolarHBondContact OD1-N 3.4Å; D704-S706 PolarHBondContact OD1-OG 3.44Å; D704-S706 PolarHBondContact OD2-OG 3.3Å; S706-C708 PolarHBondContact O-N 3.14Å
707	H	80.1	Confident	86.1	Confident	99 Å²	99	69.6 Å²	69.6	46%	0.458	37%	0.37	S	S	.	.	S	Bend	trans	-91.3	17.7	-168.7	-78.6	-72	0	0	0	115.5	V700 H823 E824	V700-H707 HydrophobicContact CG2-CB 4.16Å; H707-H823 WeakPolarHBondContact O-CA 3.16Å; H707-H823 PolarHBondContact O-CD2 3.39Å; H707-H823 VanDerWaalsContact O-CD2 3.3Å; H707-E824 PolarHBondContact O-N 3.01Å
708	C	85.1	Confident	85.8	Confident	23 Å²	23	66 Å²	66	16%	0.155	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	153.9	177.9	57.3	0	0	0	0	113.5	C698 S706 I821 I822	C698-C708 WeakPolarHBondContact CA-SG 3.29Å; C698-C708 HydrophobicContact CB-CB 3.32Å; C698-C708 WeakPolarHBondContact CB-SG 3.3Å; C698-C708 WeakPolarHBondContact SG-CB 3.5Å; C698-C708 PolarHBondContact SG-N 2.81Å; C698-C708 CovalentContact SG-SG 2.02Å; C698-C708 PolarHBondContact SG-SG 3.43Å; S706-C708 PolarHBondContact O-N 3.14Å; C708-I821 HydrophobicContact CB-CG2 3.82Å; C708-I821 WeakPolarHBondContact SG-CG2 2.99Å; C708-I822 WeakPolarHBondContact CA-O 3.35Å; C708-I822 WeakPolarHBondContact CB-O 3.4Å
709	R	85.8	Confident	85.4	Confident	108 Å²	108	66 Å²	66	41%	0.408	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	138.5	170.7	68.2	-178.1	-166.7	-174.7	3.2	111.2	V711 I822 L827	R709-V711 HydrophobicContact CG-CG2 4.27Å; R709-I822 HydrophobicContact CG-CG2 4.05Å; R709-I822 PolarHBondContact N-O 3.49Å; R709-I822 PolarHBondContact O-N 2.98Å; R709-L827 HydrophobicContact CG-CD1 4.49Å; R709-L827 HydrophobicContact CG-CD2 4.43Å; R709-L827 VanDerWaalsContact CZ-CD1 3.48Å; R709-L827 VanDerWaalsContact NE-CD2 3.31Å
710	T	87.5	Confident	84.5	Confident	80 Å²	80	73.5 Å²	73.5	49%	0.491	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	118.7	162.9	-61.7	0	0	0	0	108.5	K819 Y820 I821	T710-K819 HydrophobicContact CG2-CG 4.07Å; T710-Y820 CarbonylContact C-O 3.45Å; T710-Y820 WeakPolarHBondContact CA-O 3.36Å; T710-I821 HydrophobicContact CG2-CG1 4.46Å
711	V	87.9	Confident	83.2	Confident	27 Å²	27	80 Å²	80	16%	0.164	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	123.5	169	-177.9	0	0	0	0	107.6	R709 Y818 K819 Y820 I822	R709-V711 HydrophobicContact CG-CG2 4.27Å; V711-Y818 HydrophobicContact CG1-CE2 3.99Å; V711-K819 CarbonylContact O-C 3.58Å; V711-K819 VanDerWaalsContact O-CA 3.28Å; V711-K819 WeakPolarHBondContact O-CA 3.43Å; V711-Y820 HydrophobicContact CB-CD2 4.13Å; V711-Y820 HydrophobicContact CB-CE1 4.18Å; V711-Y820 HydrophobicContact CB-CE2 3.76Å; V711-Y820 HydrophobicContact CB-CG 4.48Å; V711-Y820 HydrophobicContact CG1-CE1 4.14Å; V711-Y820 HydrophobicContact CG1-CE2 4.4Å; V711-Y820 HydrophobicContact CG2-CD2 4.3Å; V711-Y820 HydrophobicContact CG2-CE2 3.66Å; V711-Y820 PolarHBondContact N-O 3.25Å; V711-Y820 PolarHBondContact O-N 2.58Å; V711-I822 HydrophobicContact CG2-CG2 4.12Å
712	K	90.4	Very high	82	Confident	141 Å²	141	83.5 Å²	83.5	61%	0.613	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132	129.4	167.5	-174.2	-178.7	178.5	179.5	0	109.1	T817 Y818 K819	K712-T817 HydrophobicContact CG-CG2 4.46Å; K712-Y818 WeakPolarHBondContact CA-O 3.4Å; K712-K819 HydrophobicContact CB-CB 4.48Å; K712-K819 HydrophobicContact CB-CG 4.39Å; K712-K819 HydrophobicContact CG-CB 4.3Å
713	L	87.1	Confident	81.3	Confident	85 Å²	85	79.3 Å²	79.3	45%	0.445	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	146.4	176.5	-171.7	66.5	0	0	0	110.4	T817 Y818	L713-T817 WeakPolarHBondContact O-CA 3.48Å; L713-Y818 HydrophobicContact CB-CE1 3.85Å; L713-Y818 HydrophobicContact CB-CE2 4.22Å; L713-Y818 HydrophobicContact CD2-CE1 4.19Å; L713-Y818 WeakPolarHBondContact CD2-OH 3.36Å; L713-Y818 HydrophobicContact CG-CE1 4.39Å; L713-Y818 PolarHBondContact N-O 2.88Å; L713-Y818 PolarHBondContact O-N 3.05Å
714	T	86.9	Confident	81.3	Confident	67 Å²	67	81.6 Å²	81.6	41%	0.411	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	129.2	167.6	-54.6	0	0	0	0	108.4	L816 T817	T714-L816 WeakPolarHBondContact CA-O 3.43Å; T714-T817 WeakPolarHBondContact CG2-OG1 3.39Å; T714-T817 PolarHBondContact OG1-OG1 2.83Å
715	L	85.9	Confident	81.2	Confident	42 Å²	42	78.2 Å²	78.2	22%	0.22	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	115	-174.2	-169.8	143.3	0	0	0	110.3	K717 M727 F728 L816	L715-K717 HydrophobicContact CD2-CD 3.75Å; L715-K717 HydrophobicContact CD2-CG 3.91Å; L715-M727 HydrophobicContact CD2-CB 4.48Å; L715-M727 HydrophobicContact CD2-CE 3.92Å; L715-M727 HydrophobicContact CD2-SD 4.33Å; L715-M727 VanDerWaalsContact O-CE 3.26Å; L715-M727 WeakPolarHBondContact O-CE 3.45Å; L715-F728 HydrophobicContact CB-CD1 4.44Å; L715-L816 PolarHBondContact N-O 2.03Å; L715-L816 PolarHBondContact O-N 2.77Å
716	T	85.4	Confident	81.4	Confident	78 Å²	78	79.3 Å²	79.3	48%	0.479	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	133.9	179.7	-43.4	0	0	0	0	110.6	K813 I814 S815	T716-K813 HydrophobicContact CG2-CB 4.11Å; T716-I814 CarbonylContact C-O 3.42Å; T716-I814 VanDerWaalsContact CA-O 3.29Å; T716-I814 WeakPolarHBondContact CA-O 3.41Å; T716-I814 WeakPolarHBondContact CG2-O 3.23Å; T716-S815 PolarHBondContact OG1-OG 3.14Å
717	K	84.1	Confident	81.6	Confident	75 Å²	75	76.4 Å²	76.4	33%	0.326	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	157	174.8	-79.1	172.9	166.5	165.2	0	110.6	L715 L725 K726 M727 I814	L715-K717 HydrophobicContact CD2-CD 3.75Å; L715-K717 HydrophobicContact CD2-CG 3.91Å; K717-L725 HydrophobicContact CB-CD2 3.99Å; K717-K726 PolarHBondContact NZ-O 3.34Å; K717-M727 HydrophobicContact CB-CE 4.45Å; K717-M727 HydrophobicContact CB-SD 3.97Å; K717-M727 HydrophobicContact CD-SD 3.76Å; K717-M727 HydrophobicContact CG-SD 4.29Å; K717-M727 PolarHBondContact NZ-O 3.43Å; K717-I814 PolarHBondContact N-O 3.14Å; K717-I814 PolarHBondContact O-N 3.48Å
718	T	81.7	Confident	82	Confident	48 Å²	48	72.4 Å²	72.4	29%	0.294	37%	0.369	S	S	.	.			trans	-108.9	135.4	165.8	54	0	0	0	0	110.1	D811 K813	T718-D811 WeakPolarHBondContact CG2-O 3.16Å; T718-K813 HydrophobicContact CG2-CB 4.39Å; T718-K813 HydrophobicContact CG2-CG 3.52Å
719	P	74.1	Confident	82.2	Confident	5 Å²	5	74.1 Å²	74.1	3%	0.032	38%	0.376	C	S	.	.			trans	-73.2	133.9	172.7	32	-32.6	0	0	0	109.5	L725 P807 V812	P719-L725 HydrophobicContact CB-CD2 4.29Å; P719-P807 HydrophobicContact CB-CB 4.03Å; P719-P807 HydrophobicContact CB-CG 3.88Å; P719-P807 HydrophobicContact CG-CB 3.86Å; P719-P807 HydrophobicContact CG-CG 4.27Å; P719-V812 WeakPolarHBondContact CD-O 3.19Å
720	K	66.8	Low	82.3	Confident	178 Å²	178	69 Å²	69	77%	0.774	36%	0.357	S	S	*	.			trans	-113.3	5.1	-179.5	-62.8	-168.7	175.6	-170.4	0	114
721	K	61.5	Low	82.4	Confident	176 Å²	176	66.5 Å²	66.5	77%	0.765	34%	0.343	S	S	*	.	S	Bend	trans	-161.3	152	179.3	-66.6	-167.4	178.1	-173.8	0	108.2
722	N	64.1	Low	82.3	Confident	117 Å²	117	70.4 Å²	70.4	63%	0.626	36%	0.36	S	S	*	.	S	Bend	trans	-72.6	137.9	170.2	-65.3	-23.1	0	0	0	111.3	E810	N722-E810 PolarHBondContact ND2-OE1 3.19Å; N722-E810 VanDerWaalsContact OD1-CG 3.24Å; N722-E810 WeakPolarHBondContact OD1-CG 3.21Å; N722-E810 PolarHBondContact OD1-OE1 3.2Å
723	G	73.3	Confident	82.2	Confident	48 Å²	48	64.2 Å²	64.2	50%	0.495	34%	0.337	S	S	.	.	S	Bend	trans	127.7	169.2	-171.4	0	0	0	0	0	112.3	L725 P807	G723-L725 PolarHBondContact O-N 3.37Å; G723-P807 WeakPolarHBondContact O-CD 3.42Å
724	M	84.7	Confident	82.4	Confident	70 Å²	70	60.2 Å²	60.2	35%	0.345	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-64.9	126	-178.7	-73.1	165.9	171.5	0	0	112.3	A750 F759 E763 L804 V805 I806	M724-A750 HydrophobicContact CE-CB 4.22Å; M724-F759 HydrophobicContact CE-CD1 4.43Å; M724-F759 HydrophobicContact CE-CE1 3.52Å; M724-F759 HydrophobicContact CE-CZ 3.77Å; M724-F759 HydrophobicContact SD-CE1 3.63Å; M724-F759 HydrophobicContact SD-CZ 3.54Å; M724-F759 VanDerWaalsContact SD-CZ 3.54Å; M724-E763 VanDerWaalsContact CE-O 3.22Å; M724-E763 WeakPolarHBondContact CE-O 3.32Å; M724-L804 HydrophobicContact CB-CB 4.39Å; M724-L804 HydrophobicContact CB-CD1 4.46Å; M724-L804 HydrophobicContact CB-CD2 4.27Å; M724-L804 HydrophobicContact SD-CD1 4Å; M724-V805 WeakPolarHBondContact CA-O 3.35Å; M724-I806 HydrophobicContact CE-CD1 3.84Å; M724-I806 HydrophobicContact CE-CG1 3.97Å; M724-I806 HydrophobicContact CG-CG1 3.79Å
725	L	85.8	Confident	82.6	Confident	43 Å²	43	58.7 Å²	58.7	23%	0.225	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	120.6	178	177.3	66.3	0	0	0	110.7	K717 P719 G723 M727 L804 V805	K717-L725 HydrophobicContact CB-CD2 3.99Å; P719-L725 HydrophobicContact CB-CD2 4.29Å; G723-L725 PolarHBondContact O-N 3.37Å; L725-M727 HydrophobicContact CD2-SD 4.31Å; L725-M727 PolarHBondContact O-N 3.48Å; L725-L804 CarbonylContact O-C 3.26Å; L725-L804 WeakPolarHBondContact O-CA 3.41Å; L725-V805 HydrophobicContact CB-CG2 3.85Å; L725-V805 HydrophobicContact CD2-CG2 4.2Å; L725-V805 HydrophobicContact CG-CG2 4.32Å; L725-V805 PolarHBondContact N-O 2.83Å; L725-V805 PolarHBondContact O-N 3.35Å
726	K	88.2	Confident	82.8	Confident	92 Å²	92	60.7 Å²	60.7	40%	0.4	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	118.1	173.1	173.9	168.3	169	153.2	0	111.4	K717 D729 V802 L804	K717-K726 PolarHBondContact NZ-O 3.34Å; K726-D729 WeakPolarHBondContact CE-OD1 3.5Å; K726-D729 VanDerWaalsContact CE-OD2 3.23Å; K726-D729 WeakPolarHBondContact CE-OD2 3.48Å; K726-D729 IonicContact NZ-OD1 3.47Å; K726-D729 PolarHBondContact NZ-OD1 3.03Å; K726-D729 IonicContact NZ-OD2 3.37Å; K726-D729 PolarHBondContact NZ-OD2 2.91Å; K726-V802 HydrophobicContact CD-CG1 3.67Å; K726-V802 HydrophobicContact CG-CG1 3.82Å; K726-L804 HydrophobicContact CB-CD2 4.05Å
727	M	87	Confident	83.2	Confident	3 Å²	3	57 Å²	57	2%	0.015	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	-64.6	177.8	-67.4	-63.2	-81.4	0	0	111.2	L715 K717 L725 V803 V805 I814 L816	L715-M727 HydrophobicContact CD2-CB 4.48Å; L715-M727 HydrophobicContact CD2-CE 3.92Å; L715-M727 HydrophobicContact CD2-SD 4.33Å; L715-M727 VanDerWaalsContact O-CE 3.26Å; L715-M727 WeakPolarHBondContact O-CE 3.45Å; K717-M727 HydrophobicContact CB-CE 4.45Å; K717-M727 HydrophobicContact CB-SD 3.97Å; K717-M727 HydrophobicContact CD-SD 3.76Å; K717-M727 HydrophobicContact CG-SD 4.29Å; K717-M727 PolarHBondContact NZ-O 3.43Å; L725-M727 HydrophobicContact CD2-SD 4.31Å; L725-M727 PolarHBondContact O-N 3.48Å; M727-V803 PolarHBondContact N-O 3.16Å; M727-V805 HydrophobicContact CG-CB 4.35Å; M727-V805 HydrophobicContact CG-CG1 3.69Å; M727-V805 HydrophobicContact CG-CG2 3.81Å; M727-V805 HydrophobicContact SD-CG2 3.91Å; M727-I814 HydrophobicContact CE-CG2 4.07Å; M727-L816 HydrophobicContact CB-CD1 4.45Å; M727-L816 HydrophobicContact CE-CB 4.29Å; M727-L816 HydrophobicContact CE-CD1 4.37Å; M727-L816 HydrophobicContact CE-CG 4.16Å; M727-L816 HydrophobicContact CG-CD1 4.12Å
728	F	88.5	Confident	83.7	Confident	14 Å²	14	55.6 Å²	55.6	6%	0.061	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	169.5	-178.9	49.5	-93.7	0	0	0	110.8	L715 I730 I739 V803 L816 Y818	L715-F728 HydrophobicContact CB-CD1 4.44Å; F728-I730 HydrophobicContact CD2-CG1 4.09Å; F728-I730 HydrophobicContact CE2-CD1 4.09Å; F728-I730 HydrophobicContact CE2-CG1 4.06Å; F728-I739 HydrophobicContact CZ-CG1 4.4Å; F728-I739 HydrophobicContact CZ-CG2 4.26Å; F728-V803 HydrophobicContact CD2-CB 4.09Å; F728-V803 HydrophobicContact CD2-CG2 4.02Å; F728-V803 HydrophobicContact CE1-CB 4.48Å; F728-V803 HydrophobicContact CE1-CG1 4.33Å; F728-V803 HydrophobicContact CE2-CB 3.74Å; F728-V803 HydrophobicContact CE2-CG1 4.16Å; F728-V803 HydrophobicContact CE2-CG2 3.49Å; F728-V803 VanDerWaalsContact CE2-CG2 3.49Å; F728-V803 HydrophobicContact CZ-CB 3.94Å; F728-V803 HydrophobicContact CZ-CG1 3.85Å; F728-V803 HydrophobicContact CZ-CG2 4.03Å; F728-V803 PolarHBondContact O-N 2.96Å; F728-L816 HydrophobicContact CE1-CB 4Å; F728-L816 HydrophobicContact CE1-CD1 4.11Å; F728-L816 HydrophobicContact CZ-CD1 4.41Å; F728-Y818 HydrophobicContact CB-CE1 4.17Å; F728-Y818 AromaticContact CD1-CD1 3.65Å; F728-Y818 HydrophobicContact CD1-CD1 3.65Å; F728-Y818 AromaticContact CD1-CE1 3.75Å; F728-Y818 HydrophobicContact CD1-CE1 3.75Å; F728-Y818 AromaticContact CD2-CD1 3.7Å; F728-Y818 HydrophobicContact CD2-CD1 3.7Å; F728-Y818 AromaticContact CD2-CE1 3.83Å; F728-Y818 HydrophobicContact CD2-CE1 3.83Å; F728-Y818 HydrophobicContact CD2-CG 4.13Å; F728-Y818 AromaticContact CE1-CD1 3.51Å; F728-Y818 HydrophobicContact CE1-CD1 3.51Å; F728-Y818 HydrophobicContact CE1-CE1 4.11Å; F728-Y818 HydrophobicContact CE1-CG 4.37Å; F728-Y818 AromaticContact CE2-CD1 3.53Å; F728-Y818 HydrophobicContact CE2-CD1 3.53Å; F728-Y818 HydrophobicContact CE2-CD2 4.49Å; F728-Y818 HydrophobicContact CE2-CE1 4.16Å; F728-Y818 AromaticContact CE2-CG 3.7Å; F728-Y818 HydrophobicContact CE2-CG 3.7Å; F728-Y818 AromaticContact CG-CD1 3.77Å; F728-Y818 HydrophobicContact CG-CD1 3.77Å; F728-Y818 AromaticContact CG-CE1 3.63Å; F728-Y818 HydrophobicContact CG-CE1 3.63Å; F728-Y818 AromaticContact CZ-CD1 3.45Å; F728-Y818 HydrophobicContact CZ-CD1 3.45Å; F728-Y818 VanDerWaalsContact CZ-CD1 3.45Å; F728-Y818 HydrophobicContact CZ-CE1 4.31Å; F728-Y818 AromaticContact CZ-CG 3.86Å; F728-Y818 HydrophobicContact CZ-CG 3.86Å
729	D	88.6	Confident	84.3	Confident	59 Å²	59	53.3 Å²	53.3	32%	0.316	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	143.2	173.2	-58	-48.7	0	0	0	109.5	K726 I801 V802	K726-D729 WeakPolarHBondContact CE-OD1 3.5Å; K726-D729 VanDerWaalsContact CE-OD2 3.23Å; K726-D729 WeakPolarHBondContact CE-OD2 3.48Å; K726-D729 IonicContact NZ-OD1 3.47Å; K726-D729 PolarHBondContact NZ-OD1 3.03Å; K726-D729 IonicContact NZ-OD2 3.37Å; K726-D729 PolarHBondContact NZ-OD2 2.91Å; D729-I801 WeakPolarHBondContact CA-O 3.41Å; D729-V802 WeakPolarHBondContact OD1-CG2 3.45Å
730	I	89.6	Confident	85.1	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	124.8	167.9	-58.7	-175.8	0	0	0	107.8	F728 A734 I737 I739 L797 G800 I801 Y820	F728-I730 HydrophobicContact CD2-CG1 4.09Å; F728-I730 HydrophobicContact CE2-CD1 4.09Å; F728-I730 HydrophobicContact CE2-CG1 4.06Å; I730-A734 HydrophobicContact CG2-CB 3.51Å; I730-I737 HydrophobicContact CD1-CG2 3.77Å; I730-I737 HydrophobicContact CG2-CD1 4.04Å; I730-I737 HydrophobicContact CG2-CG1 4.4Å; I730-I739 HydrophobicContact CD1-CD1 4.08Å; I730-I739 HydrophobicContact CD1-CG1 4.32Å; I730-L797 HydrophobicContact CB-CD1 4.27Å; I730-L797 HydrophobicContact CG2-CD1 3.76Å; I730-G800 WeakPolarHBondContact O-CA 3.4Å; I730-I801 HydrophobicContact CB-CD1 4.3Å; I730-I801 HydrophobicContact CB-CG1 3.84Å; I730-I801 HydrophobicContact CD1-CD1 4.44Å; I730-I801 PolarHBondContact N-O 3.38Å; I730-I801 PolarHBondContact O-N 3.18Å; I730-Y820 HydrophobicContact CB-CE1 4.43Å; I730-Y820 HydrophobicContact CD1-CD1 4.12Å; I730-Y820 HydrophobicContact CG1-CD1 4.2Å; I730-Y820 HydrophobicContact CG1-CE1 4.1Å; I730-Y820 HydrophobicContact CG2-CD1 3.82Å; I730-Y820 HydrophobicContact CG2-CE1 3.91Å; I730-Y820 HydrophobicContact CG2-CG 4.23Å
731	P	89.4	Confident	86.1	Confident	29 Å²	29	48.6 Å²	48.6	19%	0.188	25%	0.25	C	C	.	.			trans	-74	162.3	-175.1	31.6	-37	0	0	0	112.9	A734 Y820 I822	P731-A734 VanDerWaalsContact O-CB 3.29Å; P731-A734 WeakPolarHBondContact O-CB 3.44Å; P731-A734 PolarHBondContact O-N 2.88Å; P731-Y820 HydrophobicContact CG-CE2 4.4Å; P731-I822 HydrophobicContact CB-CD1 4.46Å; P731-I822 HydrophobicContact CG-CD1 3.73Å
732	M	86.3	Confident	86.9	Confident	108 Å²	108	44.8 Å²	44.8	53%	0.532	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	153.2	167	74	-169.7	-56.8	0	0	111.4	A734 L797	M732-A734 PolarHBondContact O-N 3.42Å; M732-L797 CarbonylContact C-O 3.45Å; M732-L797 WeakPolarHBondContact CA-O 3.49Å
733	G	86.7	Confident	87.2	Confident	12 Å²	12	43 Å²	43	12%	0.124	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.7	-4.9	-176.2	0	0	0	0	0	115.1	L797	G733-L797 PolarHBondContact N-O 3.41Å
734	A	90.9	Very high	86.9	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.236	C	C	.	.			trans	-68.4	134	173.9	0	0	0	0	0	111.6	I730 P731 M732 I737 P796 L797 Y820 I821	I730-A734 HydrophobicContact CG2-CB 3.51Å; P731-A734 VanDerWaalsContact O-CB 3.29Å; P731-A734 WeakPolarHBondContact O-CB 3.44Å; P731-A734 PolarHBondContact O-N 2.88Å; M732-A734 PolarHBondContact O-N 3.42Å; A734-I737 HydrophobicContact CB-CD1 4.05Å; A734-I737 HydrophobicContact CB-CG1 4.28Å; A734-P796 WeakPolarHBondContact O-CA 3.4Å; A734-L797 HydrophobicContact CB-CD1 4.38Å; A734-L797 PolarHBondContact O-N 2.93Å; A734-Y820 HydrophobicContact CB-CD2 3.74Å; A734-Y820 HydrophobicContact CB-CE2 4.27Å; A734-Y820 HydrophobicContact CB-CG 4.04Å; A734-I821 WeakPolarHBondContact CA-O 3.35Å
735	R	91.3	Very high	86.2	Confident	35 Å²	35	43 Å²	43	13%	0.132	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	160.2	-176.3	-68	169.3	176.2	-100.4	8.7	111.2	E695 G699 I737 P796 Y820 I821	E695-R735 IonicContact OE1-CZ 3.78Å; E695-R735 IonicContact OE1-NH1 2.66Å; E695-R735 IonicContact OE1-NH2 2.75Å; E695-R735 PolarHBondContact OE1-NH2 3.41Å; E695-R735 IonicContact OE2-CZ 3.06Å; E695-R735 IonicContact OE2-NH1 3.42Å; E695-R735 PolarHBondContact OE2-NH1 2.91Å; E695-R735 IonicContact OE2-NH2 2.83Å; E695-R735 PolarHBondContact OE2-NH2 2.89Å; G699-R735 VanDerWaalsContact CA-NH2 3.25Å; R735-I737 VanDerWaalsContact C-N 3.32Å; R735-I737 PolarHBondContact O-N 2.82Å; R735-P796 HydrophobicContact CG-CB 3.8Å; R735-Y820 WeakPolarHBondContact O-CA 3.5Å; R735-I821 PolarHBondContact N-O 2.8Å; R735-I821 PolarHBondContact O-N 3.42Å
736	H	91.6	Very high	85.7	Confident	84 Å²	84	43.4 Å²	43.4	39%	0.389	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	46.9	53	-179.3	-57.3	-72.2	0	0	0	112.4	I738 T794	H736-I738 PolarHBondContact O-N 2.82Å; H736-T794 PolarHBondContact N-O 2.8Å
737	I	93.9	Very high	85.4	Confident	1 Å²	1	39.3 Å²	39.3	1%	0.005	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	125.1	-176.3	-65.6	162.2	0	0	0	108.8	I730 A734 R735 I739 K792 T793 L797 K819	I730-I737 HydrophobicContact CD1-CG2 3.77Å; I730-I737 HydrophobicContact CG2-CD1 4.04Å; I730-I737 HydrophobicContact CG2-CG1 4.4Å; A734-I737 HydrophobicContact CB-CD1 4.05Å; A734-I737 HydrophobicContact CB-CG1 4.28Å; R735-I737 VanDerWaalsContact C-N 3.32Å; R735-I737 PolarHBondContact O-N 2.82Å; I737-I739 HydrophobicContact CG2-CD1 4.28Å; I737-I739 HydrophobicContact CG2-CG1 4.27Å; I737-K792 WeakPolarHBondContact O-CA 3.49Å; I737-T793 HydrophobicContact CB-CG2 3.99Å; I737-T793 HydrophobicContact CD1-CG2 4.21Å; I737-T793 PolarHBondContact N-O 2.94Å; I737-T793 PolarHBondContact O-N 3.4Å; I737-L797 HydrophobicContact CD1-CD1 3.49Å; I737-L797 VanDerWaalsContact CD1-CD1 3.49Å; I737-L797 HydrophobicContact CD1-CD2 4.13Å; I737-L797 HydrophobicContact CD1-CG 3.48Å; I737-L797 VanDerWaalsContact CD1-CG 3.48Å; I737-K819 WeakPolarHBondContact CA-O 3.24Å
738	I	94.7	Very high	85.5	Confident	45 Å²	45	39.8 Å²	39.8	23%	0.231	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	121.5	175.4	-63.1	172	0	0	0	106.7	H736 E740 Y818 K819	H736-I738 PolarHBondContact O-N 2.82Å; I738-E740 VanDerWaalsContact CG2-CD 3.47Å; I738-E740 HydrophobicContact CG2-CG 3.64Å; I738-E740 WeakPolarHBondContact CG2-OE1 3.22Å; I738-Y818 CarbonylContact O-C 3.4Å; I738-Y818 WeakPolarHBondContact O-CA 3.11Å; I738-K819 HydrophobicContact CB-CB 4.5Å; I738-K819 PolarHBondContact N-O 3.48Å; I738-K819 PolarHBondContact O-N 3.45Å
739	I	93.6	Very high	85.5	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	124.7	171.7	-60.4	159.4	0	0	0	106.7	F728 I730 I737 I749 T790 L791 V803 L816 T817	F728-I739 HydrophobicContact CZ-CG1 4.4Å; F728-I739 HydrophobicContact CZ-CG2 4.26Å; I730-I739 HydrophobicContact CD1-CD1 4.08Å; I730-I739 HydrophobicContact CD1-CG1 4.32Å; I737-I739 HydrophobicContact CG2-CD1 4.28Å; I737-I739 HydrophobicContact CG2-CG1 4.27Å; I739-I749 HydrophobicContact CG2-CD1 4.16Å; I739-T790 CarbonylContact O-C 3.44Å; I739-T790 WeakPolarHBondContact O-CA 3.29Å; I739-L791 HydrophobicContact CB-CB 4.42Å; I739-L791 HydrophobicContact CD1-CD2 4.32Å; I739-L791 PolarHBondContact N-O 3.11Å; I739-L791 PolarHBondContact O-N 3.25Å; I739-V803 HydrophobicContact CD1-CG2 3.73Å; I739-L816 HydrophobicContact CG2-CD1 4.27Å; I739-T817 WeakPolarHBondContact CA-O 3.42Å
740	E	91.1	Very high	85.6	Confident	76 Å²	76	36.3 Å²	36.3	36%	0.355	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	129.4	-173.9	-70.4	169.5	159.3	0	0	109.6	I738 T790 T817	I738-E740 VanDerWaalsContact CG2-CD 3.47Å; I738-E740 HydrophobicContact CG2-CG 3.64Å; I738-E740 WeakPolarHBondContact CG2-OE1 3.22Å; E740-T790 HydrophobicContact CG-CG2 4Å; E740-T817 PolarHBondContact N-O 2.87Å; E740-T817 PolarHBondContact O-N 3.33Å
741	E	87.6	Confident	85.8	Confident	9 Å²	9	36.3 Å²	36.3	4%	0.042	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	134.5	168.7	172.2	174.1	-151.3	0	0	111	N743 S745 H747 R788 E789 L816	E741-N743 VanDerWaalsContact CD-O 3.31Å; E741-N743 WeakPolarHBondContact CG-O 3.36Å; E741-S745 PolarHBondContact OE1-N 2.68Å; E741-S745 VanDerWaalsContact OE1-O 3.04Å; E741-S745 PolarHBondContact OE1-OG 3.27Å; E741-H747 IonicContact OE1-CE1 2.7Å; E741-H747 PolarHBondContact OE1-CE1 2.91Å; E741-H747 IonicContact OE1-ND1 3.74Å; E741-H747 PolarHBondContact OE1-ND1 3.27Å; E741-H747 IonicContact OE2-CE1 3.17Å; E741-R788 HydrophobicContact CB-CG 3.9Å; E741-R788 HydrophobicContact CG-CG 4.34Å; E741-R788 VanDerWaalsContact O-CD 3.3Å; E741-R788 WeakPolarHBondContact O-CD 3.46Å; E741-R788 WeakPolarHBondContact O-CG 3.26Å; E741-R788 VanDerWaalsContact OE2-CA 3.3Å; E741-R788 WeakPolarHBondContact OE2-CA 3.33Å; E741-E789 PolarHBondContact N-O 3.22Å; E741-E789 PolarHBondContact OE2-N 2.87Å; E741-L816 HydrophobicContact CB-CD2 4.15Å
742	N	78.3	Confident	85.8	Confident	95 Å²	95	36.4 Å²	36.4	51%	0.508	19%	0.193	S	C	.	.	S	Bend	trans	-97.8	-29.3	-175.7	-163.9	100.6	0	0	0	113.3	S815 T817	N742-S815 WeakPolarHBondContact CB-O 3.44Å; N742-S815 PolarHBondContact N-O 3.34Å; N742-T817 PolarHBondContact OD1-OG1 2.96Å
743	N	71.1	Confident	85.9	Confident	79 Å²	79	31.4 Å²	31.4	42%	0.422	17%	0.168	S	C	.	.	S	Bend	trans	-133.8	133.2	-179	-54.7	-1.5	0	0	0	106.8	E741 S745	E741-N743 VanDerWaalsContact CD-O 3.31Å; E741-N743 WeakPolarHBondContact CG-O 3.36Å; N743-S745 PolarHBondContact O-N 2.88Å; N743-S745 PolarHBondContact O-OG 3.31Å
744	T	67	Low	85.9	Confident	109 Å²	109	35.1 Å²	35.1	67%	0.669	18%	0.182	S	C	*	.			trans	-69.6	75.3	-178.5	56.7	0	0	0	0	111.9
745	S	68.9	Low	85.5	Confident	9 Å²	9	38.8 Å²	38.8	6%	0.063	20%	0.204	C	C	.	.			trans	-102.5	128.1	-179.9	47.1	0	0	0	0	108	E741 N743 H747	E741-S745 PolarHBondContact OE1-N 2.68Å; E741-S745 VanDerWaalsContact OE1-O 3.04Å; E741-S745 PolarHBondContact OE1-OG 3.27Å; N743-S745 PolarHBondContact O-N 2.88Å; N743-S745 PolarHBondContact O-OG 3.31Å; S745-H747 PolarHBondContact O-N 2.98Å; S745-H747 PolarHBondContact O-ND1 3.11Å; S745-H747 PolarHBondContact OG-ND1 2.82Å
746	P	74.8	Confident	85.1	Confident	52 Å²	52	40 Å²	40	34%	0.338	22%	0.215	S	C	.	.	S	Bend	trans	-68.2	98.6	-171.9	28.4	-35.3	0	0	0	110.6	L808 E809	P746-L808 HydrophobicContact CB-CB 4.12Å; P746-L808 HydrophobicContact CB-CD1 4.09Å; P746-L808 WeakPolarHBondContact O-CB 3.38Å; P746-L808 PolarHBondContact O-N 3.02Å; P746-E809 HydrophobicContact CG-CB 4.23Å; P746-E809 VanDerWaalsContact CG-CD 3.43Å; P746-E809 HydrophobicContact CG-CG 3.76Å
747	H	83.5	Confident	84.7	Confident	7 Å²	7	41 Å²	41	3%	0.032	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	158.8	179.8	78.9	-76.5	0	0	0	109.7	E741 S745 V805 I806 I814	E741-H747 IonicContact OE1-CE1 2.7Å; E741-H747 PolarHBondContact OE1-CE1 2.91Å; E741-H747 IonicContact OE1-ND1 3.74Å; E741-H747 PolarHBondContact OE1-ND1 3.27Å; E741-H747 IonicContact OE2-CE1 3.17Å; S745-H747 PolarHBondContact O-N 2.98Å; S745-H747 PolarHBondContact O-ND1 3.11Å; S745-H747 PolarHBondContact OG-ND1 2.82Å; H747-V805 VanDerWaalsContact CD2-CG1 3.4Å; H747-V805 WeakPolarHBondContact CD2-CG1 3.33Å; H747-I806 CarbonylContact C-O 3.55Å; H747-I806 WeakPolarHBondContact CA-O 3.28Å; H747-I806 WeakPolarHBondContact CB-O 3.49Å; H747-I814 HydrophobicContact CB-CD1 3.61Å; H747-I814 HydrophobicContact CB-CG1 4.01Å; H747-I814 WeakPolarHBondContact NE2-CG2 3.14Å
748	I	87.3	Confident	84.3	Confident	13 Å²	13	46 Å²	46	7%	0.067	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	127.3	176.5	-60.9	163.4	0	0	0	108.6	A750 N762 A768 E789 V805 I806 L808	I748-A750 PolarHBondContact O-N 2.88Å; I748-N762 HydrophobicContact CG2-CB 3.88Å; I748-N762 VanDerWaalsContact CG2-ND2 3.33Å; I748-N762 WeakPolarHBondContact CG2-ND2 3.16Å; I748-A768 HydrophobicContact CD1-CB 3.91Å; I748-A768 HydrophobicContact CG1-CB 4.13Å; I748-A768 HydrophobicContact CG2-CB 3.91Å; I748-E789 WeakPolarHBondContact CA-OE1 3.38Å; I748-V805 CarbonylContact O-C 3.54Å; I748-V805 WeakPolarHBondContact O-CA 3.5Å; I748-I806 HydrophobicContact CB-CB 4.3Å; I748-I806 HydrophobicContact CB-CD1 4.49Å; I748-I806 PolarHBondContact N-O 3.05Å; I748-I806 PolarHBondContact O-N 3.35Å; I748-L808 HydrophobicContact CD1-CD2 4.2Å
749	I	90.4	Very high	84	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	123.4	171.4	-63.6	172.5	0	0	0	108.2	I739 V751 L761 N762 E789 V803 L816	I739-I749 HydrophobicContact CG2-CD1 4.16Å; I749-V751 HydrophobicContact CG2-CG2 4.12Å; I749-L761 HydrophobicContact CG2-CD2 4.34Å; I749-N762 PolarHBondContact O-ND2 3.09Å; I749-E789 VanDerWaalsContact CB-OE2 3.25Å; I749-E789 WeakPolarHBondContact CB-OE2 3.27Å; I749-E789 HydrophobicContact CD1-CB 3.77Å; I749-E789 HydrophobicContact CG1-CB 4.3Å; I749-E789 VanDerWaalsContact CG1-OE2 3.26Å; I749-E789 WeakPolarHBondContact CG1-OE2 3.35Å; I749-E789 PolarHBondContact N-OE2 2.94Å; I749-V803 HydrophobicContact CG2-CG1 4.37Å; I749-L816 HydrophobicContact CD1-CD2 3.84Å; I749-L816 HydrophobicContact CG1-CD1 4.34Å; I749-L816 HydrophobicContact CG1-CD2 4.13Å
750	A	90.7	Very high	83.8	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	142.2	171	0	0	0	0	0	108.9	M724 I748 F759 L761 N762 L804 I806	M724-A750 HydrophobicContact CE-CB 4.22Å; I748-A750 PolarHBondContact O-N 2.88Å; A750-F759 HydrophobicContact CB-CE1 4.44Å; A750-L761 WeakPolarHBondContact CA-O 3.31Å; A750-N762 HydrophobicContact CB-CB 4.45Å; A750-N762 VanDerWaalsContact CB-O 3.28Å; A750-N762 WeakPolarHBondContact CB-O 3.36Å; A750-L804 HydrophobicContact CB-CB 4.07Å; A750-L804 PolarHBondContact N-O 2.95Å; A750-L804 CarbonylContact O-C 3.51Å; A750-L804 WeakPolarHBondContact O-CA 3.38Å; A750-L804 WeakPolarHBondContact O-CB 3.33Å; A750-L804 PolarHBondContact O-N 3.31Å; A750-I806 HydrophobicContact CB-CD1 4.39Å; A750-I806 HydrophobicContact CB-CG1 4.34Å
751	V	92.4	Very high	83.7	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	131.1	179.9	-177.3	0	0	0	0	108.9	I749 I760 L761 L791 I801	I749-V751 HydrophobicContact CG2-CG2 4.12Å; V751-I760 HydrophobicContact CB-CB 4.4Å; V751-I760 HydrophobicContact CG1-CB 4.34Å; V751-I760 HydrophobicContact CG1-CD1 4.14Å; V751-I760 PolarHBondContact O-N 3.02Å; V751-L761 HydrophobicContact CB-CB 4.12Å; V751-L761 HydrophobicContact CG2-CB 4.37Å; V751-L761 HydrophobicContact CG2-CD2 4.42Å; V751-L761 PolarHBondContact N-O 2.89Å; V751-L761 PolarHBondContact O-N 2.7Å; V751-L761 VanDerWaalsContact O-N 3.11Å; V751-L791 HydrophobicContact CG2-CD2 3.56Å; V751-I801 HydrophobicContact CG1-CB 3.99Å; V751-I801 HydrophobicContact CG1-CD1 4.07Å; V751-I801 HydrophobicContact CG1-CG1 4.44Å; V751-I801 HydrophobicContact CG1-CG2 4.45Å
752	K	90.1	Very high	83.6	Confident	31 Å²	31	43.3 Å²	43.3	14%	0.135	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	152.6	170	63.5	167.4	175	158.9	0	111.4	E757 H758 F759 I801 V802 L804	K752-E757 IonicContact NZ-OE1 2.98Å; K752-E757 PolarHBondContact NZ-OE1 3.18Å; K752-E757 IonicContact NZ-OE2 2.69Å; K752-E757 PolarHBondContact NZ-OE2 2.62Å; K752-H758 CarbonylContact C-O 3.58Å; K752-H758 VanDerWaalsContact CA-O 3.25Å; K752-H758 WeakPolarHBondContact CA-O 3.37Å; K752-H758 WeakPolarHBondContact CB-O 3.28Å; K752-F759 HydrophobicContact CB-CD1 4.23Å; K752-F759 HydrophobicContact CB-CE1 4.36Å; K752-F759 HydrophobicContact CB-CG 4.43Å; K752-I801 WeakPolarHBondContact O-CA 3.42Å; K752-V802 HydrophobicContact CG-CB 3.89Å; K752-V802 HydrophobicContact CG-CG2 4.38Å; K752-V802 PolarHBondContact N-O 2.89Å; K752-V802 PolarHBondContact O-N 2.89Å; K752-L804 HydrophobicContact CD-CD1 4.05Å; K752-L804 HydrophobicContact CG-CD1 3.89Å
753	N	87.6	Confident	83.7	Confident	2 Å²	2	44.3 Å²	44.3	1%	0.011	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	135.2	167.2	179.8	-44.4	0	0	0	109.2	V755 T756 E757 H758 I760 E799	N753-V755 VanDerWaalsContact C-N 3.29Å; N753-V755 PolarHBondContact O-N 2.86Å; N753-V755 WeakPolarHBondContact OD1-CA 3.42Å; N753-V755 PolarHBondContact OD1-N 3.46Å; N753-T756 VanDerWaalsContact CB-OG1 3.29Å; N753-T756 WeakPolarHBondContact CB-OG1 3.43Å; N753-T756 PolarHBondContact ND2-OG1 2.79Å; N753-T756 PolarHBondContact OD1-N 3.49Å; N753-T756 PolarHBondContact OD1-OG1 2.85Å; N753-E757 VanDerWaalsContact O-CA 3.29Å; N753-E757 WeakPolarHBondContact O-CA 3.48Å; N753-E757 PolarHBondContact O-N 3.43Å; N753-H758 PolarHBondContact N-O 3.27Å; N753-I760 HydrophobicContact CB-CD1 4.48Å; N753-E799 PolarHBondContact ND2-OE2 2.84Å; N753-E799 PolarHBondContact OD1-OE2 3.3Å
754	Q	86.6	Confident	83.9	Confident	90 Å²	90	46.1 Å²	46.1	42%	0.421	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-20.5	-176.6	-174.7	179.8	0.1	0	0	113.6	G800 V802	Q754-G800 WeakPolarHBondContact CB-O 3.36Å; Q754-G800 PolarHBondContact N-O 2.93Å; Q754-V802 HydrophobicContact CB-CG2 3.91Å; Q754-V802 HydrophobicContact CG-CG2 3.99Å
755	V	83.4	Confident	83.8	Confident	78 Å²	78	44.1 Å²	44.1	47%	0.473	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	-44.2	-171.6	-158.2	0	0	0	0	111.4	H605 N753 E799	H605-V755 WeakPolarHBondContact CE1-CG1 3.32Å; N753-V755 VanDerWaalsContact C-N 3.29Å; N753-V755 PolarHBondContact O-N 2.86Å; N753-V755 WeakPolarHBondContact OD1-CA 3.42Å; N753-V755 PolarHBondContact OD1-N 3.46Å; V755-E799 HydrophobicContact CG2-CB 4.15Å; V755-E799 HydrophobicContact CG2-CG 4.28Å
756	T	82.1	Confident	83.5	Confident	59 Å²	59	51.8 Å²	51.8	36%	0.362	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-9.3	178.1	65.5	0	0	0	0	113.7	H605 N753 H758	H605-T756 HydrophobicContact CB-CG2 4.11Å; N753-T756 VanDerWaalsContact CB-OG1 3.29Å; N753-T756 WeakPolarHBondContact CB-OG1 3.43Å; N753-T756 PolarHBondContact ND2-OG1 2.79Å; N753-T756 PolarHBondContact OD1-N 3.49Å; N753-T756 PolarHBondContact OD1-OG1 2.85Å; T756-H758 PolarHBondContact O-N 3.08Å
757	E	83.3	Confident	82.9	Confident	107 Å²	107	52.9 Å²	52.9	50%	0.5	26%	0.264	S	S	.	.			trans	57.5	3.3	-173.9	-71.7	-80	126.8	0	0	115.2	K752 N753	K752-E757 IonicContact NZ-OE1 2.98Å; K752-E757 PolarHBondContact NZ-OE1 3.18Å; K752-E757 IonicContact NZ-OE2 2.69Å; K752-E757 PolarHBondContact NZ-OE2 2.62Å; N753-E757 VanDerWaalsContact O-CA 3.29Å; N753-E757 WeakPolarHBondContact O-CA 3.48Å; N753-E757 PolarHBondContact O-N 3.43Å
758	H	86.4	Confident	82.3	Confident	105 Å²	105	54 Å²	54	49%	0.486	27%	0.274	S	S	.	.			trans	-69.5	139.6	178.3	-173.9	-103.9	0	0	0	111.8	K752 N753 T756	K752-H758 CarbonylContact C-O 3.58Å; K752-H758 VanDerWaalsContact CA-O 3.25Å; K752-H758 WeakPolarHBondContact CA-O 3.37Å; K752-H758 WeakPolarHBondContact CB-O 3.28Å; N753-H758 PolarHBondContact N-O 3.27Å; T756-H758 PolarHBondContact O-N 3.08Å
759	F	87.5	Confident	82	Confident	52 Å²	52	60.7 Å²	60.7	23%	0.228	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	124.9	176.6	-77	-91.3	0	0	0	111.3	M724 A750 K752 E763 L804	M724-F759 HydrophobicContact CE-CD1 4.43Å; M724-F759 HydrophobicContact CE-CE1 3.52Å; M724-F759 HydrophobicContact CE-CZ 3.77Å; M724-F759 HydrophobicContact SD-CE1 3.63Å; M724-F759 HydrophobicContact SD-CZ 3.54Å; M724-F759 VanDerWaalsContact SD-CZ 3.54Å; A750-F759 HydrophobicContact CB-CE1 4.44Å; K752-F759 HydrophobicContact CB-CD1 4.23Å; K752-F759 HydrophobicContact CB-CE1 4.36Å; K752-F759 HydrophobicContact CB-CG 4.43Å; F759-E763 HydrophobicContact CB-CB 3.9Å; F759-E763 HydrophobicContact CB-CG 4.36Å; F759-E763 HydrophobicContact CD1-CB 4.35Å; F759-E763 HydrophobicContact CD2-CB 4.23Å; F759-E763 HydrophobicContact CD2-CG 3.82Å; F759-E763 HydrophobicContact CE2-CG 4.31Å; F759-E763 HydrophobicContact CG-CB 3.9Å; F759-E763 HydrophobicContact CG-CG 4.03Å; F759-L804 HydrophobicContact CE1-CD1 3.74Å; F759-L804 HydrophobicContact CZ-CD1 4.15Å
760	I	88.8	Confident	81.9	Confident	12 Å²	12	64.1 Å²	64.1	6%	0.062	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	-38.9	172.3	-57.1	176.9	0	0	0	109.3	V751 N753 F773 E775 N776 W780 I801	V751-I760 HydrophobicContact CB-CB 4.4Å; V751-I760 HydrophobicContact CG1-CB 4.34Å; V751-I760 HydrophobicContact CG1-CD1 4.14Å; V751-I760 PolarHBondContact O-N 3.02Å; N753-I760 HydrophobicContact CB-CD1 4.48Å; I760-F773 HydrophobicContact CG2-CE2 4.07Å; I760-F773 HydrophobicContact CG2-CZ 4.42Å; I760-F773 WeakPolarHBondContact O-CE2 3.3Å; I760-E775 HydrophobicContact CB-CG 4.38Å; I760-E775 HydrophobicContact CG1-CG 4.49Å; I760-E775 HydrophobicContact CG2-CB 4.09Å; I760-E775 HydrophobicContact CG2-CG 3.94Å; I760-N776 WeakPolarHBondContact CD1-ND2 3.45Å; I760-N776 WeakPolarHBondContact CG1-ND2 3.29Å; I760-W780 HydrophobicContact CD1-CZ2 4.4Å; I760-W780 HydrophobicContact CG2-CD2 4.32Å; I760-W780 HydrophobicContact CG2-CZ2 4.18Å; I760-I801 HydrophobicContact CD1-CG2 3.74Å
761	L	89.4	Confident	81.7	Confident	4 Å²	4	67.3 Å²	67.3	2%	0.021	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	134.1	-176.5	-179.5	67.4	0	0	0	110.6	I749 A750 V751 F773 Y782 L791	I749-L761 HydrophobicContact CG2-CD2 4.34Å; A750-L761 WeakPolarHBondContact CA-O 3.31Å; V751-L761 HydrophobicContact CB-CB 4.12Å; V751-L761 HydrophobicContact CG2-CB 4.37Å; V751-L761 HydrophobicContact CG2-CD2 4.42Å; V751-L761 PolarHBondContact N-O 2.89Å; V751-L761 PolarHBondContact O-N 2.7Å; V751-L761 VanDerWaalsContact O-N 3.11Å; L761-F773 HydrophobicContact CB-CZ 4.35Å; L761-F773 HydrophobicContact CD1-CE1 4.04Å; L761-F773 HydrophobicContact CD1-CZ 4.01Å; L761-Y782 HydrophobicContact CD1-CD1 4.24Å; L761-Y782 HydrophobicContact CD1-CD2 4.19Å; L761-Y782 HydrophobicContact CD1-CG 3.94Å; L761-Y782 HydrophobicContact CD2-CD2 3.58Å; L761-Y782 HydrophobicContact CD2-CE2 3.93Å; L761-Y782 HydrophobicContact CD2-CG 4.15Å; L761-Y782 HydrophobicContact CG-CD2 4.48Å; L761-L791 HydrophobicContact CD2-CD1 3.99Å; L761-L791 HydrophobicContact CD2-CD2 3.78Å; L761-L791 HydrophobicContact CD2-CG 4.39Å
762	N	85.1	Confident	81.5	Confident	6 Å²	6	72.1 Å²	72.1	3%	0.032	37%	0.372	C	S	.	.			trans	49.1	66.4	167.7	-56.2	-16.7	0	0	0	113.7	I748 I749 A750 K764 D767 K771 Y782	I748-N762 HydrophobicContact CG2-CB 3.88Å; I748-N762 VanDerWaalsContact CG2-ND2 3.33Å; I748-N762 WeakPolarHBondContact CG2-ND2 3.16Å; I749-N762 PolarHBondContact O-ND2 3.09Å; A750-N762 HydrophobicContact CB-CB 4.45Å; A750-N762 VanDerWaalsContact CB-O 3.28Å; A750-N762 WeakPolarHBondContact CB-O 3.36Å; N762-K764 PolarHBondContact O-N 3.2Å; N762-D767 PolarHBondContact OD1-O 3.07Å; N762-K771 PolarHBondContact OD1-NZ 3.39Å; N762-Y782 PolarHBondContact ND2-OH 3.28Å
763	E	80.9	Confident	81.5	Confident	116 Å²	116	72.7 Å²	72.7	54%	0.542	38%	0.375	S	S	.	.	S	Bend	trans	-59.9	-35.5	169.2	-174.8	-175.3	178.9	0	0	110.9	M724 F759	M724-E763 VanDerWaalsContact CE-O 3.22Å; M724-E763 WeakPolarHBondContact CE-O 3.32Å; F759-E763 HydrophobicContact CB-CB 3.9Å; F759-E763 HydrophobicContact CB-CG 4.36Å; F759-E763 HydrophobicContact CD1-CB 4.35Å; F759-E763 HydrophobicContact CD2-CB 4.23Å; F759-E763 HydrophobicContact CD2-CG 3.82Å; F759-E763 HydrophobicContact CE2-CG 4.31Å; F759-E763 HydrophobicContact CG-CB 3.9Å; F759-E763 HydrophobicContact CG-CG 4.03Å
764	K	75.1	Confident	81.6	Confident	117 Å²	117	74.1 Å²	74.1	51%	0.509	38%	0.382	S	S	.	.	S	Bend	trans	-122.7	156.6	177	-57.8	171.7	-171.8	169.7	0	110.8	N762 E766 D767	N762-K764 PolarHBondContact O-N 3.2Å; K764-E766 PolarHBondContact O-N 2.87Å; K764-D767 WeakPolarHBondContact CB-OD2 3.38Å; K764-D767 PolarHBondContact N-OD2 3.04Å; K764-D767 VanDerWaalsContact N-OD2 3.1Å; K764-D767 PolarHBondContact O-N 3Å
765	S	66.3	Low	81.7	Confident	66 Å²	66	72.8 Å²	72.8	46%	0.462	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-65.5	-17.7	175.2	50.6	0	0	0	0	113.9	D767	S765-D767 VanDerWaalsContact C-N 3.35Å
766	E	62.7	Low	81.7	Confident	171 Å²	171	70.8 Å²	70.8	80%	0.799	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-79.3	-15.9	178.9	-62.6	174.9	156.1	0	0	112.8	K764 A768	K764-E766 PolarHBondContact O-N 2.87Å; E766-A768 VanDerWaalsContact C-N 3.33Å; E766-A768 PolarHBondContact O-N 3.49Å
767	D	61.3	Low	81.9	Confident	74 Å²	74	68 Å²	68	40%	0.396	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-84	-0.6	-174.8	-61.6	-55.5	0	0	0	113.9	N762 K764 S765 E769 K771	N762-D767 PolarHBondContact OD1-O 3.07Å; K764-D767 WeakPolarHBondContact CB-OD2 3.38Å; K764-D767 PolarHBondContact N-OD2 3.04Å; K764-D767 VanDerWaalsContact N-OD2 3.1Å; K764-D767 PolarHBondContact O-N 3Å; S765-D767 VanDerWaalsContact C-N 3.35Å; D767-E769 VanDerWaalsContact C-N 3.26Å; D767-E769 PolarHBondContact O-N 2.71Å; D767-K771 PolarHBondContact O-NZ 2.89Å
768	A	70.6	Confident	82.2	Confident	30 Å²	30	63.3 Å²	63.3	25%	0.248	33%	0.325	C	S	.	.			trans	-78.8	39.6	-158.8	0	0	0	0	0	116.7	I748 E766	I748-A768 HydrophobicContact CD1-CB 3.91Å; I748-A768 HydrophobicContact CG1-CB 4.13Å; I748-A768 HydrophobicContact CG2-CB 3.91Å; E766-A768 VanDerWaalsContact C-N 3.33Å; E766-A768 PolarHBondContact O-N 3.49Å
769	E	81.1	Confident	82.5	Confident	154 Å²	154	62.2 Å²	62.2	72%	0.72	32%	0.319	S	S	*	.	S	Bend	trans	-88.5	147.1	174.2	-63	-170.4	152.8	0	0	113.2	D767 K771 Y782	D767-E769 VanDerWaalsContact C-N 3.26Å; D767-E769 PolarHBondContact O-N 2.71Å; E769-K771 VanDerWaalsContact O-CD 3.31Å; E769-K771 WeakPolarHBondContact O-CD 3.34Å; E769-K771 WeakPolarHBondContact O-CG 3.47Å; E769-K771 PolarHBondContact O-N 2.85Å; E769-Y782 VanDerWaalsContact O-CD1 3.25Å; E769-Y782 WeakPolarHBondContact O-CD1 3.44Å; E769-Y782 WeakPolarHBondContact O-CE1 3.33Å
770	S	87.9	Confident	82.7	Confident	72 Å²	72	59.8 Å²	59.8	50%	0.503	31%	0.309	S	S	.	.			trans	-58.9	119.2	171.7	-66.4	0	0	0	0	111.2	Y782 V784	S770-Y782 CarbonylContact C-O 3.59Å; S770-Y782 WeakPolarHBondContact CA-O 3.48Å; S770-V784 PolarHBondContact OG-N 3.06Å
771	K	87.8	Confident	82.9	Confident	67 Å²	67	63.2 Å²	63.2	29%	0.291	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	139.6	-169.2	62.3	-158.3	167.4	-168.4	0	112.5	N762 D767 E769 F773 Y782	N762-K771 PolarHBondContact OD1-NZ 3.39Å; D767-K771 PolarHBondContact O-NZ 2.89Å; E769-K771 VanDerWaalsContact O-CD 3.31Å; E769-K771 WeakPolarHBondContact O-CD 3.34Å; E769-K771 WeakPolarHBondContact O-CG 3.47Å; E769-K771 PolarHBondContact O-N 2.85Å; K771-F773 HydrophobicContact CG-CD1 3.94Å; K771-F773 HydrophobicContact CG-CE1 4.33Å; K771-Y782 HydrophobicContact CG-CD1 4.3Å; K771-Y782 PolarHBondContact N-O 3.35Å; K771-Y782 PolarHBondContact O-N 3.26Å
772	T	88.5	Confident	83.1	Confident	101 Å²	101	63.2 Å²	63.2	62%	0.62	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.3	130.7	163.9	49.7	0	0	0	0	109.3	W780 E781	T772-W780 WeakPolarHBondContact CA-O 3.41Å; T772-E781 HydrophobicContact CG2-CG 4.36Å
773	F	89.1	Confident	83.4	Confident	44 Å²	44	64.3 Å²	64.3	19%	0.193	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	167.5	-175.2	65.9	-77.7	0	0	0	111.9	I760 L761 K771 E775 Q779 W780	I760-F773 HydrophobicContact CG2-CE2 4.07Å; I760-F773 HydrophobicContact CG2-CZ 4.42Å; I760-F773 WeakPolarHBondContact O-CE2 3.3Å; L761-F773 HydrophobicContact CB-CZ 4.35Å; L761-F773 HydrophobicContact CD1-CE1 4.04Å; L761-F773 HydrophobicContact CD1-CZ 4.01Å; K771-F773 HydrophobicContact CG-CD1 3.94Å; K771-F773 HydrophobicContact CG-CE1 4.33Å; F773-E775 HydrophobicContact CD2-CB 3.92Å; F773-E775 HydrophobicContact CE2-CB 3.89Å; F773-Q779 WeakPolarHBondContact O-CA 3.36Å; F773-W780 HydrophobicContact CD1-CB 3.96Å; F773-W780 HydrophobicContact CD2-CB 4.3Å; F773-W780 HydrophobicContact CE1-CB 3.55Å; F773-W780 HydrophobicContact CE1-CG 4.44Å; F773-W780 HydrophobicContact CE2-CB 3.91Å; F773-W780 AromaticContact CE2-CD1 3.99Å; F773-W780 HydrophobicContact CE2-CG 4.03Å; F773-W780 HydrophobicContact CG-CB 4.32Å; F773-W780 HydrophobicContact CZ-CB 3.52Å; F773-W780 AromaticContact CZ-CG 3.93Å; F773-W780 HydrophobicContact CZ-CG 3.93Å; F773-W780 PolarHBondContact N-O 3.03Å; F773-W780 PolarHBondContact O-N 3.29Å
774	I	90.2	Very high	83.7	Confident	32 Å²	32	61.3 Å²	61.3	16%	0.164	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	119.8	-176.7	-67.9	157.7	0	0	0	106.9	P631 E633 Y668 L778	P631-I774 HydrophobicContact CB-CG2 4.18Å; P631-I774 HydrophobicContact CG-CB 4.26Å; P631-I774 HydrophobicContact CG-CG2 3.72Å; E633-I774 HydrophobicContact CB-CD1 4.47Å; Y668-I774 HydrophobicContact CD1-CG2 3.99Å; Y668-I774 HydrophobicContact CD2-CD1 3.71Å; Y668-I774 HydrophobicContact CD2-CG1 3.91Å; Y668-I774 HydrophobicContact CD2-CG2 4.09Å; Y668-I774 HydrophobicContact CE1-CG2 3.53Å; Y668-I774 HydrophobicContact CE2-CD1 3.63Å; Y668-I774 HydrophobicContact CE2-CG1 4.06Å; Y668-I774 HydrophobicContact CE2-CG2 3.67Å; Y668-I774 HydrophobicContact CG-CG1 4.32Å; Y668-I774 HydrophobicContact CG-CG2 4.23Å; I774-L778 WeakPolarHBondContact CA-O 3.06Å
775	E	87.3	Confident	83.9	Confident	61 Å²	61	60.6 Å²	60.6	29%	0.285	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	142.2	-177.6	-166.7	55.6	-100.3	0	0	110.6	I760 F773 G777 L778 W780	I760-E775 HydrophobicContact CB-CG 4.38Å; I760-E775 HydrophobicContact CG1-CG 4.49Å; I760-E775 HydrophobicContact CG2-CB 4.09Å; I760-E775 HydrophobicContact CG2-CG 3.94Å; F773-E775 HydrophobicContact CD2-CB 3.92Å; F773-E775 HydrophobicContact CE2-CB 3.89Å; E775-G777 PolarHBondContact O-N 3.03Å; E775-G777 VanDerWaalsContact O-N 3.14Å; E775-L778 PolarHBondContact N-O 2.94Å; E775-L778 PolarHBondContact O-N 3.35Å; E775-L778 VanDerWaalsContact O-N 3.16Å; E775-W780 PolarHBondContact O-NE1 3.47Å
776	N	85.3	Confident	84.2	Confident	36 Å²	36	61.1 Å²	61.1	19%	0.193	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.4	33.2	-170.4	-65.7	-21.1	0	0	0	114.5	Y606 I760 L778	Y606-N776 VanDerWaalsContact CE1-O 3.31Å; Y606-N776 WeakPolarHBondContact CE1-O 3.44Å; I760-N776 WeakPolarHBondContact CD1-ND2 3.45Å; I760-N776 WeakPolarHBondContact CG1-ND2 3.29Å; N776-L778 VanDerWaalsContact C-N 3.32Å; N776-L778 PolarHBondContact O-N 3.29Å
777	G	85.9	Confident	84.6	Confident	2 Å²	2	55.3 Å²	55.3	2%	0.021	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.4	16.3	178	0	0	0	0	0	115.8	Y668 E775	Y668-G777 WeakPolarHBondContact CD1-O 3.43Å; E775-G777 PolarHBondContact O-N 3.03Å; E775-G777 VanDerWaalsContact O-N 3.14Å
778	L	89.9	Confident	85.7	Confident	8 Å²	8	57.1 Å²	57.1	4%	0.042	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	150.4	173.8	-66.6	175.2	0	0	0	110.5	I774 E775 N776 W780 T793 L797	I774-L778 WeakPolarHBondContact CA-O 3.06Å; E775-L778 PolarHBondContact N-O 2.94Å; E775-L778 PolarHBondContact O-N 3.35Å; E775-L778 VanDerWaalsContact O-N 3.16Å; N776-L778 VanDerWaalsContact C-N 3.32Å; N776-L778 PolarHBondContact O-N 3.29Å; L778-W780 HydrophobicContact CD1-CZ2 4.31Å; L778-W780 VanDerWaalsContact O-CD1 3.32Å; L778-T793 HydrophobicContact CD1-CG2 4.4Å; L778-L797 HydrophobicContact CD1-CD2 3.91Å
779	Q	91.6	Very high	86.5	Confident	81 Å²	81	56.3 Å²	56.3	38%	0.379	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	133.2	164.6	-174.2	174.2	-8.1	0	0	109.6	F773 T793	F773-Q779 WeakPolarHBondContact O-CA 3.36Å; Q779-T793 WeakPolarHBondContact O-CB 3.49Å; Q779-T793 PolarHBondContact O-OG1 2.8Å
780	W	92.1	Very high	87	Confident	1 Å²	1	49.6 Å²	49.6	0%	0.004	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	133.7	177.4	-64.3	89.1	0	0	0	109.9	I760 T772 F773 E775 L778 L791 T793 L797 I801	I760-W780 HydrophobicContact CD1-CZ2 4.4Å; I760-W780 HydrophobicContact CG2-CD2 4.32Å; I760-W780 HydrophobicContact CG2-CZ2 4.18Å; T772-W780 WeakPolarHBondContact CA-O 3.41Å; F773-W780 HydrophobicContact CD1-CB 3.96Å; F773-W780 HydrophobicContact CD2-CB 4.3Å; F773-W780 HydrophobicContact CE1-CB 3.55Å; F773-W780 HydrophobicContact CE1-CG 4.44Å; F773-W780 HydrophobicContact CE2-CB 3.91Å; F773-W780 AromaticContact CE2-CD1 3.99Å; F773-W780 HydrophobicContact CE2-CG 4.03Å; F773-W780 HydrophobicContact CG-CB 4.32Å; F773-W780 HydrophobicContact CZ-CB 3.52Å; F773-W780 AromaticContact CZ-CG 3.93Å; F773-W780 HydrophobicContact CZ-CG 3.93Å; F773-W780 PolarHBondContact N-O 3.03Å; F773-W780 PolarHBondContact O-N 3.29Å; E775-W780 PolarHBondContact O-NE1 3.47Å; L778-W780 HydrophobicContact CD1-CZ2 4.31Å; L778-W780 VanDerWaalsContact O-CD1 3.32Å; W780-L791 HydrophobicContact CE3-CD1 3.85Å; W780-L791 HydrophobicContact CE3-CD2 4.26Å; W780-L791 HydrophobicContact CE3-CG 4.07Å; W780-L791 HydrophobicContact CZ3-CD2 4.18Å; W780-L791 HydrophobicContact CZ3-CG 4.3Å; W780-T793 HydrophobicContact CD2-CG2 4.33Å; W780-T793 HydrophobicContact CE3-CG2 3.81Å; W780-T793 HydrophobicContact CH2-CG2 3.68Å; W780-T793 HydrophobicContact CZ2-CG2 4.18Å; W780-T793 HydrophobicContact CZ3-CG2 3.47Å; W780-T793 VanDerWaalsContact CZ3-CG2 3.47Å; W780-L797 HydrophobicContact CH2-CD2 4.12Å; W780-L797 HydrophobicContact CZ2-CD2 4.19Å; W780-I801 HydrophobicContact CH2-CD1 3.97Å
781	E	93.9	Very high	87.3	Confident	85 Å²	85	46.2 Å²	46.2	40%	0.397	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	109.9	169.4	-178.2	-169	-134.2	0	0	108	T772 L791 K792	T772-E781 HydrophobicContact CG2-CG 4.36Å; E781-L791 WeakPolarHBondContact O-CA 3.31Å; E781-K792 HydrophobicContact CB-CB 4.45Å; E781-K792 PolarHBondContact N-O 3.41Å; E781-K792 PolarHBondContact O-N 3.01Å; E781-K792 WeakPolarHBondContact OE2-CD 3.49Å; E781-K792 IonicContact OE2-NZ 4Å; E781-K792 PolarHBondContact OE2-NZ 3.42Å
782	Y	92.6	Very high	87.6	Confident	3 Å²	3	46 Å²	46	1%	0.012	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	124.3	169.4	174.1	-105.5	0	0	0	109.1	L761 N762 E769 S770 K771 V784 E789 L791	L761-Y782 HydrophobicContact CD1-CD1 4.24Å; L761-Y782 HydrophobicContact CD1-CD2 4.19Å; L761-Y782 HydrophobicContact CD1-CG 3.94Å; L761-Y782 HydrophobicContact CD2-CD2 3.58Å; L761-Y782 HydrophobicContact CD2-CE2 3.93Å; L761-Y782 HydrophobicContact CD2-CG 4.15Å; L761-Y782 HydrophobicContact CG-CD2 4.48Å; N762-Y782 PolarHBondContact ND2-OH 3.28Å; E769-Y782 VanDerWaalsContact O-CD1 3.25Å; E769-Y782 WeakPolarHBondContact O-CD1 3.44Å; E769-Y782 WeakPolarHBondContact O-CE1 3.33Å; S770-Y782 CarbonylContact C-O 3.59Å; S770-Y782 WeakPolarHBondContact CA-O 3.48Å; K771-Y782 HydrophobicContact CG-CD1 4.3Å; K771-Y782 PolarHBondContact N-O 3.35Å; K771-Y782 PolarHBondContact O-N 3.26Å; Y782-V784 HydrophobicContact CE1-CG2 3.71Å; Y782-V784 HydrophobicContact CE2-CG2 4.5Å; Y782-E789 HydrophobicContact CE2-CB 4.41Å; Y782-E789 PolarHBondContact OH-OE1 2.83Å; Y782-E789 PolarHBondContact OH-OE2 2.79Å; Y782-L791 HydrophobicContact CD2-CD1 4.43Å
783	S	91.6	Very high	87.8	Confident	29 Å²	29	41.7 Å²	41.7	20%	0.203	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	133.3	179.4	50.9	0	0	0	0	111.4	T790	S783-T790 PolarHBondContact N-O 3.5Å; S783-T790 PolarHBondContact O-N 3.15Å; S783-T790 PolarHBondContact OG-OG1 3.28Å
784	V	87.1	Confident	87.8	Confident	53 Å²	53	42.7 Å²	42.7	32%	0.321	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	109.4	172.5	-169.8	0	0	0	0	107.1	S770 Y782 E789	S770-V784 PolarHBondContact OG-N 3.06Å; Y782-V784 HydrophobicContact CE1-CG2 3.71Å; Y782-V784 HydrophobicContact CE2-CG2 4.5Å; V784-E789 HydrophobicContact CG1-CG 4.34Å; V784-E789 HydrophobicContact CG2-CG 4.16Å
785	D	80.3	Confident	87.6	Confident	103 Å²	103	41.6 Å²	41.6	55%	0.551	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-124.9	124.5	-176.9	173.1	38.7	0	0	0	109.9	G787 R788	D785-G787 PolarHBondContact O-N 3.39Å; D785-G787 VanDerWaalsContact O-N 3.1Å; D785-R788 PolarHBondContact N-O 3.06Å; D785-R788 WeakPolarHBondContact O-CB 3.46Å; D785-R788 PolarHBondContact O-N 3.35Å; D785-R788 IonicContact OD2-NH2 3.18Å
786	G	70.9	Confident	87.8	Confident	77 Å²	77	40 Å²	40	79%	0.794	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.5	18.8	-177.9	0	0	0	0	0	115.5
787	G	72.3	Confident	87.9	Confident	49 Å²	49	38.7 Å²	38.7	51%	0.505	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.6	24.2	-171.3	0	0	0	0	0	113.9	D785	D785-G787 PolarHBondContact O-N 3.39Å; D785-G787 VanDerWaalsContact O-N 3.1Å
788	R	83	Confident	88	Confident	112 Å²	112	40 Å²	40	42%	0.423	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	125.2	169.7	175.2	-171.8	56	175.9	-6.3	109.5	E741 D785	E741-R788 HydrophobicContact CB-CG 3.9Å; E741-R788 HydrophobicContact CG-CG 4.34Å; E741-R788 VanDerWaalsContact O-CD 3.3Å; E741-R788 WeakPolarHBondContact O-CD 3.46Å; E741-R788 WeakPolarHBondContact O-CG 3.26Å; E741-R788 VanDerWaalsContact OE2-CA 3.3Å; E741-R788 WeakPolarHBondContact OE2-CA 3.33Å; D785-R788 PolarHBondContact N-O 3.06Å; D785-R788 WeakPolarHBondContact O-CB 3.46Å; D785-R788 PolarHBondContact O-N 3.35Å; D785-R788 IonicContact OD2-NH2 3.18Å
789	E	88.9	Confident	87.8	Confident	12 Å²	12	40.9 Å²	40.9	6%	0.056	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	137.9	177.1	-57.9	-163.4	169.7	0	0	112.9	E741 I748 I749 Y782 V784	E741-E789 PolarHBondContact N-O 3.22Å; E741-E789 PolarHBondContact OE2-N 2.87Å; I748-E789 WeakPolarHBondContact CA-OE1 3.38Å; I749-E789 VanDerWaalsContact CB-OE2 3.25Å; I749-E789 WeakPolarHBondContact CB-OE2 3.27Å; I749-E789 HydrophobicContact CD1-CB 3.77Å; I749-E789 HydrophobicContact CG1-CB 4.3Å; I749-E789 VanDerWaalsContact CG1-OE2 3.26Å; I749-E789 WeakPolarHBondContact CG1-OE2 3.35Å; I749-E789 PolarHBondContact N-OE2 2.94Å; Y782-E789 HydrophobicContact CE2-CB 4.41Å; Y782-E789 PolarHBondContact OH-OE1 2.83Å; Y782-E789 PolarHBondContact OH-OE2 2.79Å; V784-E789 HydrophobicContact CG1-CG 4.34Å; V784-E789 HydrophobicContact CG2-CG 4.16Å
790	T	91.8	Very high	87.6	Confident	13 Å²	13	37.3 Å²	37.3	8%	0.08	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	136.6	168.1	82.1	0	0	0	0	111.6	I739 E740 S783	I739-T790 CarbonylContact O-C 3.44Å; I739-T790 WeakPolarHBondContact O-CA 3.29Å; E740-T790 HydrophobicContact CG-CG2 4Å; S783-T790 PolarHBondContact N-O 3.5Å; S783-T790 PolarHBondContact O-N 3.15Å; S783-T790 PolarHBondContact OG-OG1 3.28Å
791	L	93.6	Very high	87.6	Confident	1 Å²	1	37.4 Å²	37.4	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	126.3	176.6	179.2	64.1	0	0	0	109.8	I739 V751 L761 W780 E781 Y782	I739-L791 HydrophobicContact CB-CB 4.42Å; I739-L791 HydrophobicContact CD1-CD2 4.32Å; I739-L791 PolarHBondContact N-O 3.11Å; I739-L791 PolarHBondContact O-N 3.25Å; V751-L791 HydrophobicContact CG2-CD2 3.56Å; L761-L791 HydrophobicContact CD2-CD1 3.99Å; L761-L791 HydrophobicContact CD2-CD2 3.78Å; L761-L791 HydrophobicContact CD2-CG 4.39Å; W780-L791 HydrophobicContact CE3-CD1 3.85Å; W780-L791 HydrophobicContact CE3-CD2 4.26Å; W780-L791 HydrophobicContact CE3-CG 4.07Å; W780-L791 HydrophobicContact CZ3-CD2 4.18Å; W780-L791 HydrophobicContact CZ3-CG 4.3Å; E781-L791 WeakPolarHBondContact O-CA 3.31Å; Y782-L791 HydrophobicContact CD2-CD1 4.43Å
792	K	94.3	Very high	87.5	Confident	62 Å²	62	33.5 Å²	33.5	27%	0.27	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	144.7	-175.7	-45	-170.1	-157.3	101.6	0	112.2	I737 E781	I737-K792 WeakPolarHBondContact O-CA 3.49Å; E781-K792 HydrophobicContact CB-CB 4.45Å; E781-K792 PolarHBondContact N-O 3.41Å; E781-K792 PolarHBondContact O-N 3.01Å; E781-K792 WeakPolarHBondContact OE2-CD 3.49Å; E781-K792 IonicContact OE2-NZ 4Å; E781-K792 PolarHBondContact OE2-NZ 3.42Å
793	T	93.2	Very high	87.5	Confident	11 Å²	11	33.4 Å²	33.4	7%	0.067	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	152.4	165.5	-172.3	0	0	0	0	111.6	I737 L778 Q779 W780	I737-T793 HydrophobicContact CB-CG2 3.99Å; I737-T793 HydrophobicContact CD1-CG2 4.21Å; I737-T793 PolarHBondContact N-O 2.94Å; I737-T793 PolarHBondContact O-N 3.4Å; L778-T793 HydrophobicContact CD1-CG2 4.4Å; Q779-T793 WeakPolarHBondContact O-CB 3.49Å; Q779-T793 PolarHBondContact O-OG1 2.8Å; W780-T793 HydrophobicContact CD2-CG2 4.33Å; W780-T793 HydrophobicContact CE3-CG2 3.81Å; W780-T793 HydrophobicContact CH2-CG2 3.68Å; W780-T793 HydrophobicContact CZ2-CG2 4.18Å; W780-T793 HydrophobicContact CZ3-CG2 3.47Å; W780-T793 VanDerWaalsContact CZ3-CG2 3.47Å
794	T	88.6	Confident	87.4	Confident	65 Å²	65	32.6 Å²	32.6	40%	0.399	20%	0.201	S	C	.	.			trans	-70	-36.5	176.7	43.1	0	0	0	0	112.6	H736	H736-T794 PolarHBondContact N-O 2.8Å
795	G	86.2	Confident	87.5	Confident	10 Å²	10	30 Å²	30	10%	0.103	19%	0.185	C	C	.	.			trans	67.3	-166.2	-170.2	0	0	0	0	0	113
796	P	90.1	Very high	87.8	Confident	26 Å²	26	26.4 Å²	26.4	17%	0.169	17%	0.165	C	C	.	.			cis	-70.2	150.4	2.1	29.1	-35.2	0	0	0	113.3	A734 R735 H798	A734-P796 WeakPolarHBondContact O-CA 3.4Å; R735-P796 HydrophobicContact CG-CB 3.8Å; P796-H798 PolarHBondContact O-N 3.02Å
797	L	89.3	Confident	88.4	Confident	9 Å²	9	23.5 Å²	23.5	5%	0.047	13%	0.133	C	C	.	.			trans	-66.9	120.5	167.5	-76.4	-179.8	0	0	0	111.3	I730 M732 G733 A734 I737 L778 W780 I801	I730-L797 HydrophobicContact CB-CD1 4.27Å; I730-L797 HydrophobicContact CG2-CD1 3.76Å; M732-L797 CarbonylContact C-O 3.45Å; M732-L797 WeakPolarHBondContact CA-O 3.49Å; G733-L797 PolarHBondContact N-O 3.41Å; A734-L797 HydrophobicContact CB-CD1 4.38Å; A734-L797 PolarHBondContact O-N 2.93Å; I737-L797 HydrophobicContact CD1-CD1 3.49Å; I737-L797 VanDerWaalsContact CD1-CD1 3.49Å; I737-L797 HydrophobicContact CD1-CD2 4.13Å; I737-L797 HydrophobicContact CD1-CG 3.48Å; I737-L797 VanDerWaalsContact CD1-CG 3.48Å; L778-L797 HydrophobicContact CD1-CD2 3.91Å; W780-L797 HydrophobicContact CH2-CD2 4.12Å; W780-L797 HydrophobicContact CZ2-CD2 4.19Å; L797-I801 HydrophobicContact CD1-CD1 3.91Å; L797-I801 HydrophobicContact CD1-CG1 3.83Å; L797-I801 HydrophobicContact CD1-CG2 4.26Å; L797-I801 HydrophobicContact CD2-CD1 4.37Å; L797-I801 HydrophobicContact CD2-CG2 4.06Å
798	H	86.3	Confident	88.6	Confident	30 Å²	30	26.1 Å²	26.1	14%	0.139	14%	0.135	C	C	.	.	S	Bend	trans	-73.6	-29.3	171.9	-70.8	-75.7	0	0	0	112.9	E601 Y606 R665 P796	E601-H798 IonicContact OE1-CE1 2.69Å; E601-H798 IonicContact OE1-ND1 3.42Å; E601-H798 PolarHBondContact OE1-ND1 3.14Å; E601-H798 VanDerWaalsContact OE1-ND1 3.11Å; Y606-H798 HydrophobicContact CD1-CB 4.13Å; Y606-H798 HydrophobicContact CD2-CB 3.66Å; Y606-H798 AromaticContact CD2-CD2 3.55Å; Y606-H798 AromaticContact CD2-CE1 3.93Å; Y606-H798 AromaticContact CD2-CG 3.34Å; Y606-H798 AromaticContact CD2-ND1 3.6Å; Y606-H798 AromaticContact CD2-NE2 3.93Å; Y606-H798 AromaticContact CE1-CD2 3.93Å; Y606-H798 HydrophobicContact CE2-CB 4.42Å; Y606-H798 AromaticContact CE2-CD2 3.38Å; Y606-H798 WeakPolarHBondContact CE2-CD2 3.47Å; Y606-H798 AromaticContact CE2-CE1 3.65Å; Y606-H798 AromaticContact CE2-CG 3.66Å; Y606-H798 AromaticContact CE2-ND1 3.81Å; Y606-H798 AromaticContact CE2-NE2 3.39Å; Y606-H798 WeakPolarHBondContact CE2-NE2 3.49Å; Y606-H798 HydrophobicContact CG-CB 3.48Å; Y606-H798 VanDerWaalsContact CG-CB 3.48Å; Y606-H798 AromaticContact CG-CD2 3.88Å; Y606-H798 AromaticContact CG-CG 3.66Å; Y606-H798 AromaticContact CZ-CD2 3.59Å; Y606-H798 AromaticContact CZ-NE2 3.73Å; R665-H798 PolarHBondContact NH1-NE2 3.33Å; P796-H798 PolarHBondContact O-N 3.02Å
799	E	87.1	Confident	88.3	Confident	27 Å²	27	26 Å²	26	13%	0.126	14%	0.139	C	C	.	.	S	Bend	trans	-132.6	154.8	171.8	-70.2	-171.4	129.8	0	0	110.5	H605 N753 V755	H605-E799 IonicContact CE1-OE1 3.48Å; H605-E799 IonicContact CG-OE1 2.59Å; H605-E799 IonicContact ND1-OE1 2.68Å; H605-E799 PolarHBondContact ND1-OE1 3.18Å; N753-E799 PolarHBondContact ND2-OE2 2.84Å; N753-E799 PolarHBondContact OD1-OE2 3.3Å; V755-E799 HydrophobicContact CG2-CB 4.15Å; V755-E799 HydrophobicContact CG2-CG 4.28Å
800	G	86.5	Confident	87.4	Confident	6 Å²	6	31.4 Å²	31.4	6%	0.062	16%	0.164	C	C	.	.			trans	-64.2	153.1	176.7	0	0	0	0	0	112.5	I730 Q754	I730-G800 WeakPolarHBondContact O-CA 3.4Å; Q754-G800 WeakPolarHBondContact CB-O 3.36Å; Q754-G800 PolarHBondContact N-O 2.93Å
801	I	92.6	Very high	86.5	Confident	2 Å²	2	36.6 Å²	36.6	1%	0.01	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	145.4	178.4	63.9	178.1	0	0	0	111.4	D729 I730 V751 K752 I760 W780 L797	D729-I801 WeakPolarHBondContact CA-O 3.41Å; I730-I801 HydrophobicContact CB-CD1 4.3Å; I730-I801 HydrophobicContact CB-CG1 3.84Å; I730-I801 HydrophobicContact CD1-CD1 4.44Å; I730-I801 PolarHBondContact N-O 3.38Å; I730-I801 PolarHBondContact O-N 3.18Å; V751-I801 HydrophobicContact CG1-CB 3.99Å; V751-I801 HydrophobicContact CG1-CD1 4.07Å; V751-I801 HydrophobicContact CG1-CG1 4.44Å; V751-I801 HydrophobicContact CG1-CG2 4.45Å; K752-I801 WeakPolarHBondContact O-CA 3.42Å; I760-I801 HydrophobicContact CD1-CG2 3.74Å; W780-I801 HydrophobicContact CH2-CD1 3.97Å; L797-I801 HydrophobicContact CD1-CD1 3.91Å; L797-I801 HydrophobicContact CD1-CG1 3.83Å; L797-I801 HydrophobicContact CD1-CG2 4.26Å; L797-I801 HydrophobicContact CD2-CD1 4.37Å; L797-I801 HydrophobicContact CD2-CG2 4.06Å
802	V	91.7	Very high	85.9	Confident	4 Å²	4	38.4 Å²	38.4	2%	0.024	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	119.4	174.3	-172.9	0	0	0	0	108	K726 D729 K752 Q754 L804	K726-V802 HydrophobicContact CD-CG1 3.67Å; K726-V802 HydrophobicContact CG-CG1 3.82Å; D729-V802 WeakPolarHBondContact OD1-CG2 3.45Å; K752-V802 HydrophobicContact CG-CB 3.89Å; K752-V802 HydrophobicContact CG-CG2 4.38Å; K752-V802 PolarHBondContact N-O 2.89Å; K752-V802 PolarHBondContact O-N 2.89Å; Q754-V802 HydrophobicContact CB-CG2 3.91Å; Q754-V802 HydrophobicContact CG-CG2 3.99Å; V802-L804 HydrophobicContact CG1-CD2 4.27Å; V802-L804 HydrophobicContact CG1-CG 4.39Å
803	V	92.2	Very high	85.2	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	118.8	174.5	-176.7	0	0	0	0	108.9	M727 F728 I739 I749 L816	M727-V803 PolarHBondContact N-O 3.16Å; F728-V803 HydrophobicContact CD2-CB 4.09Å; F728-V803 HydrophobicContact CD2-CG2 4.02Å; F728-V803 HydrophobicContact CE1-CB 4.48Å; F728-V803 HydrophobicContact CE1-CG1 4.33Å; F728-V803 HydrophobicContact CE2-CB 3.74Å; F728-V803 HydrophobicContact CE2-CG1 4.16Å; F728-V803 HydrophobicContact CE2-CG2 3.49Å; F728-V803 VanDerWaalsContact CE2-CG2 3.49Å; F728-V803 HydrophobicContact CZ-CB 3.94Å; F728-V803 HydrophobicContact CZ-CG1 3.85Å; F728-V803 HydrophobicContact CZ-CG2 4.03Å; F728-V803 PolarHBondContact O-N 2.96Å; I739-V803 HydrophobicContact CD1-CG2 3.73Å; I749-V803 HydrophobicContact CG2-CG1 4.37Å; V803-L816 HydrophobicContact CG1-CD1 4.03Å
804	L	90.1	Very high	84.9	Confident	12 Å²	12	41.9 Å²	41.9	6%	0.063	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	158.1	178.5	-61.6	163.3	0	0	0	109	M724 L725 K726 A750 K752 F759 V802	M724-L804 HydrophobicContact CB-CB 4.39Å; M724-L804 HydrophobicContact CB-CD1 4.46Å; M724-L804 HydrophobicContact CB-CD2 4.27Å; M724-L804 HydrophobicContact SD-CD1 4Å; L725-L804 CarbonylContact O-C 3.26Å; L725-L804 WeakPolarHBondContact O-CA 3.41Å; K726-L804 HydrophobicContact CB-CD2 4.05Å; A750-L804 HydrophobicContact CB-CB 4.07Å; A750-L804 PolarHBondContact N-O 2.95Å; A750-L804 CarbonylContact O-C 3.51Å; A750-L804 WeakPolarHBondContact O-CA 3.38Å; A750-L804 WeakPolarHBondContact O-CB 3.33Å; A750-L804 PolarHBondContact O-N 3.31Å; K752-L804 HydrophobicContact CD-CD1 4.05Å; K752-L804 HydrophobicContact CG-CD1 3.89Å; F759-L804 HydrophobicContact CE1-CD1 3.74Å; F759-L804 HydrophobicContact CZ-CD1 4.15Å; V802-L804 HydrophobicContact CG1-CD2 4.27Å; V802-L804 HydrophobicContact CG1-CG 4.39Å
805	V	88.3	Confident	84.8	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	135.7	166	-64.9	0	0	0	0	109.9	M724 L725 M727 H747 I748 P807 I814 L816	M724-V805 WeakPolarHBondContact CA-O 3.35Å; L725-V805 HydrophobicContact CB-CG2 3.85Å; L725-V805 HydrophobicContact CD2-CG2 4.2Å; L725-V805 HydrophobicContact CG-CG2 4.32Å; L725-V805 PolarHBondContact N-O 2.83Å; L725-V805 PolarHBondContact O-N 3.35Å; M727-V805 HydrophobicContact CG-CB 4.35Å; M727-V805 HydrophobicContact CG-CG1 3.69Å; M727-V805 HydrophobicContact CG-CG2 3.81Å; M727-V805 HydrophobicContact SD-CG2 3.91Å; H747-V805 VanDerWaalsContact CD2-CG1 3.4Å; H747-V805 WeakPolarHBondContact CD2-CG1 3.33Å; I748-V805 CarbonylContact O-C 3.54Å; I748-V805 WeakPolarHBondContact O-CA 3.5Å; V805-P807 WeakPolarHBondContact O-CD 3.28Å; V805-I814 HydrophobicContact CB-CD1 4.32Å; V805-I814 HydrophobicContact CB-CG2 4.45Å; V805-I814 HydrophobicContact CG1-CG2 4.18Å; V805-I814 HydrophobicContact CG2-CD1 3.75Å; V805-I814 HydrophobicContact CG2-CG2 4.18Å; V805-L816 HydrophobicContact CG1-CD1 3.78Å; V805-L816 HydrophobicContact CG1-CG 4.48Å
806	I	87	Confident	85	Confident	26 Å²	26	38.5 Å²	38.5	13%	0.133	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	104.8	168.7	-54.1	169.3	0	0	0	106.2	M724 H747 I748 A750	M724-I806 HydrophobicContact CE-CD1 3.84Å; M724-I806 HydrophobicContact CE-CG1 3.97Å; M724-I806 HydrophobicContact CG-CG1 3.79Å; H747-I806 CarbonylContact C-O 3.55Å; H747-I806 WeakPolarHBondContact CA-O 3.28Å; H747-I806 WeakPolarHBondContact CB-O 3.49Å; I748-I806 HydrophobicContact CB-CB 4.3Å; I748-I806 HydrophobicContact CB-CD1 4.49Å; I748-I806 PolarHBondContact N-O 3.05Å; I748-I806 PolarHBondContact O-N 3.35Å; A750-I806 HydrophobicContact CB-CD1 4.39Å; A750-I806 HydrophobicContact CB-CG1 4.34Å
807	P	82.7	Confident	85	Confident	16 Å²	16	37.6 Å²	37.6	10%	0.104	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	136.8	173.6	29.9	-34.4	0	0	0	110	P719 G723 V805 I814	P719-P807 HydrophobicContact CB-CB 4.03Å; P719-P807 HydrophobicContact CB-CG 3.88Å; P719-P807 HydrophobicContact CG-CB 3.86Å; P719-P807 HydrophobicContact CG-CG 4.27Å; G723-P807 WeakPolarHBondContact O-CD 3.42Å; V805-P807 WeakPolarHBondContact O-CD 3.28Å; P807-I814 HydrophobicContact CB-CD1 4.01Å
808	L	78.1	Confident	85.1	Confident	104 Å²	104	38.3 Å²	38.3	55%	0.545	19%	0.19	S	C	.	.	S	Bend	trans	-92.5	-18.7	170	-55.9	174.2	0	0	0	111.7	P746 I748	P746-L808 HydrophobicContact CB-CB 4.12Å; P746-L808 HydrophobicContact CB-CD1 4.09Å; P746-L808 WeakPolarHBondContact O-CB 3.38Å; P746-L808 PolarHBondContact O-N 3.02Å; I748-L808 HydrophobicContact CD1-CD2 4.2Å
809	E	76	Confident	85.4	Confident	110 Å²	110	40.9 Å²	40.9	51%	0.514	20%	0.201	S	C	.	.	S	Bend	trans	-130.3	143.9	177.6	-68	-179.4	178.5	0	0	111.4	P746 V812	P746-E809 HydrophobicContact CG-CB 4.23Å; P746-E809 VanDerWaalsContact CG-CD 3.43Å; P746-E809 HydrophobicContact CG-CG 3.76Å; E809-V812 HydrophobicContact CB-CG2 3.63Å
810	E	69.8	Low	85.7	Confident	125 Å²	125	40.6 Å²	40.6	58%	0.584	20%	0.199	S	C	*	.	S	Bend	trans	-77.6	152.8	178.2	-67.9	-174.9	-146.4	0	0	112.2	N722 V812	N722-E810 PolarHBondContact ND2-OE1 3.19Å; N722-E810 VanDerWaalsContact OD1-CG 3.24Å; N722-E810 WeakPolarHBondContact OD1-CG 3.21Å; N722-E810 PolarHBondContact OD1-OE1 3.2Å; E810-V812 PolarHBondContact O-N 3.35Å
811	D	73.6	Confident	85.9	Confident	122 Å²	122	41 Å²	41	65%	0.652	20%	0.2	S	C	*	.	S	Bend	trans	56.6	-4	-178.4	-87.1	-41.3	0	0	0	118.2	T718	T718-D811 WeakPolarHBondContact CG2-O 3.16Å
812	V	79.3	Confident	85.7	Confident	40 Å²	40	40.9 Å²	40.9	24%	0.242	20%	0.199	C	C	.	.			trans	-63.8	138.9	177.3	179.5	0	0	0	0	112.3	P719 E809 E810 I814	P719-V812 WeakPolarHBondContact CD-O 3.19Å; E809-V812 HydrophobicContact CB-CG2 3.63Å; E810-V812 PolarHBondContact O-N 3.35Å; V812-I814 PolarHBondContact O-N 3.48Å; V812-I814 VanDerWaalsContact O-N 3.16Å
813	K	81.6	Confident	85.3	Confident	143 Å²	143	42.2 Å²	42.2	62%	0.622	21%	0.205	S	C	*	.			trans	-79.9	93.6	177.8	-73.7	176.1	-179	173.8	0	111.7	T716 T718	T716-K813 HydrophobicContact CG2-CB 4.11Å; T718-K813 HydrophobicContact CG2-CB 4.39Å; T718-K813 HydrophobicContact CG2-CG 3.52Å
814	I	85.6	Confident	84.7	Confident	2 Å²	2	47.4 Å²	47.4	1%	0.01	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	130.6	171.8	-62.5	168.8	0	0	0	109.3	T716 K717 M727 H747 V805 P807 V812	T716-I814 CarbonylContact C-O 3.42Å; T716-I814 VanDerWaalsContact CA-O 3.29Å; T716-I814 WeakPolarHBondContact CA-O 3.41Å; T716-I814 WeakPolarHBondContact CG2-O 3.23Å; K717-I814 PolarHBondContact N-O 3.14Å; K717-I814 PolarHBondContact O-N 3.48Å; M727-I814 HydrophobicContact CE-CG2 4.07Å; H747-I814 HydrophobicContact CB-CD1 3.61Å; H747-I814 HydrophobicContact CB-CG1 4.01Å; H747-I814 WeakPolarHBondContact NE2-CG2 3.14Å; V805-I814 HydrophobicContact CB-CD1 4.32Å; V805-I814 HydrophobicContact CB-CG2 4.45Å; V805-I814 HydrophobicContact CG1-CG2 4.18Å; V805-I814 HydrophobicContact CG2-CD1 3.75Å; V805-I814 HydrophobicContact CG2-CG2 4.18Å; P807-I814 HydrophobicContact CB-CD1 4.01Å; V812-I814 PolarHBondContact O-N 3.48Å; V812-I814 VanDerWaalsContact O-N 3.16Å
815	S	87.4	Confident	83.6	Confident	4 Å²	4	53.1 Å²	53.1	3%	0.028	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	107.3	-177.3	-161.2	0	0	0	0	112.2	T716 N742	T716-S815 PolarHBondContact OG1-OG 3.14Å; N742-S815 WeakPolarHBondContact CB-O 3.44Å; N742-S815 PolarHBondContact N-O 3.34Å
816	L	89.8	Confident	82.5	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	136.3	176.8	-67.4	-176.2	0	0	0	110.8	T714 L715 M727 F728 I739 E741 I749 V803 V805	T714-L816 WeakPolarHBondContact CA-O 3.43Å; L715-L816 PolarHBondContact N-O 2.03Å; L715-L816 PolarHBondContact O-N 2.77Å; M727-L816 HydrophobicContact CB-CD1 4.45Å; M727-L816 HydrophobicContact CE-CB 4.29Å; M727-L816 HydrophobicContact CE-CD1 4.37Å; M727-L816 HydrophobicContact CE-CG 4.16Å; M727-L816 HydrophobicContact CG-CD1 4.12Å; F728-L816 HydrophobicContact CE1-CB 4Å; F728-L816 HydrophobicContact CE1-CD1 4.11Å; F728-L816 HydrophobicContact CZ-CD1 4.41Å; I739-L816 HydrophobicContact CG2-CD1 4.27Å; E741-L816 HydrophobicContact CB-CD2 4.15Å; I749-L816 HydrophobicContact CD1-CD2 3.84Å; I749-L816 HydrophobicContact CG1-CD1 4.34Å; I749-L816 HydrophobicContact CG1-CD2 4.13Å; V803-L816 HydrophobicContact CG1-CD1 4.03Å; V805-L816 HydrophobicContact CG1-CD1 3.78Å; V805-L816 HydrophobicContact CG1-CG 4.48Å
817	T	90.3	Very high	81.4	Confident	8 Å²	8	58.7 Å²	58.7	5%	0.049	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	132.1	164.6	-65.1	0	0	0	0	108.6	K712 L713 T714 I739 E740 N742	K712-T817 HydrophobicContact CG-CG2 4.46Å; L713-T817 WeakPolarHBondContact O-CA 3.48Å; T714-T817 WeakPolarHBondContact CG2-OG1 3.39Å; T714-T817 PolarHBondContact OG1-OG1 2.83Å; I739-T817 WeakPolarHBondContact CA-O 3.42Å; E740-T817 PolarHBondContact N-O 2.87Å; E740-T817 PolarHBondContact O-N 3.33Å; N742-T817 PolarHBondContact OD1-OG1 2.96Å
818	Y	91.7	Very high	79.9	Confident	23 Å²	23	61.9 Å²	61.9	9%	0.09	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	148.7	170.3	68.3	-94.3	0	0	0	111.6	V711 K712 L713 F728 I738 Y820	V711-Y818 HydrophobicContact CG1-CE2 3.99Å; K712-Y818 WeakPolarHBondContact CA-O 3.4Å; L713-Y818 HydrophobicContact CB-CE1 3.85Å; L713-Y818 HydrophobicContact CB-CE2 4.22Å; L713-Y818 HydrophobicContact CD2-CE1 4.19Å; L713-Y818 WeakPolarHBondContact CD2-OH 3.36Å; L713-Y818 HydrophobicContact CG-CE1 4.39Å; L713-Y818 PolarHBondContact N-O 2.88Å; L713-Y818 PolarHBondContact O-N 3.05Å; F728-Y818 HydrophobicContact CB-CE1 4.17Å; F728-Y818 AromaticContact CD1-CD1 3.65Å; F728-Y818 HydrophobicContact CD1-CD1 3.65Å; F728-Y818 AromaticContact CD1-CE1 3.75Å; F728-Y818 HydrophobicContact CD1-CE1 3.75Å; F728-Y818 AromaticContact CD2-CD1 3.7Å; F728-Y818 HydrophobicContact CD2-CD1 3.7Å; F728-Y818 AromaticContact CD2-CE1 3.83Å; F728-Y818 HydrophobicContact CD2-CE1 3.83Å; F728-Y818 HydrophobicContact CD2-CG 4.13Å; F728-Y818 AromaticContact CE1-CD1 3.51Å; F728-Y818 HydrophobicContact CE1-CD1 3.51Å; F728-Y818 HydrophobicContact CE1-CE1 4.11Å; F728-Y818 HydrophobicContact CE1-CG 4.37Å; F728-Y818 AromaticContact CE2-CD1 3.53Å; F728-Y818 HydrophobicContact CE2-CD1 3.53Å; F728-Y818 HydrophobicContact CE2-CD2 4.49Å; F728-Y818 HydrophobicContact CE2-CE1 4.16Å; F728-Y818 AromaticContact CE2-CG 3.7Å; F728-Y818 HydrophobicContact CE2-CG 3.7Å; F728-Y818 AromaticContact CG-CD1 3.77Å; F728-Y818 HydrophobicContact CG-CD1 3.77Å; F728-Y818 AromaticContact CG-CE1 3.63Å; F728-Y818 HydrophobicContact CG-CE1 3.63Å; F728-Y818 AromaticContact CZ-CD1 3.45Å; F728-Y818 HydrophobicContact CZ-CD1 3.45Å; F728-Y818 VanDerWaalsContact CZ-CD1 3.45Å; F728-Y818 HydrophobicContact CZ-CE1 4.31Å; F728-Y818 AromaticContact CZ-CG 3.86Å; F728-Y818 HydrophobicContact CZ-CG 3.86Å; I738-Y818 CarbonylContact O-C 3.4Å; I738-Y818 WeakPolarHBondContact O-CA 3.11Å; Y818-Y820 AromaticContact CD2-CD1 3.86Å; Y818-Y820 HydrophobicContact CD2-CD1 3.86Å; Y818-Y820 AromaticContact CD2-CE1 3.78Å; Y818-Y820 HydrophobicContact CD2-CE1 3.78Å; Y818-Y820 HydrophobicContact CE2-CD1 4.15Å; Y818-Y820 AromaticContact CE2-CE1 3.59Å; Y818-Y820 HydrophobicContact CE2-CE1 3.59Å
819	K	92.8	Very high	78.2	Confident	85 Å²	85	64.6 Å²	64.6	37%	0.37	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	135.7	173.7	-177	-169.9	173.3	-165.6	0	109.1	T710 V711 K712 I737 I738	T710-K819 HydrophobicContact CG2-CG 4.07Å; V711-K819 CarbonylContact O-C 3.58Å; V711-K819 VanDerWaalsContact O-CA 3.28Å; V711-K819 WeakPolarHBondContact O-CA 3.43Å; K712-K819 HydrophobicContact CB-CB 4.48Å; K712-K819 HydrophobicContact CB-CG 4.39Å; K712-K819 HydrophobicContact CG-CB 4.3Å; I737-K819 WeakPolarHBondContact CA-O 3.24Å; I738-K819 HydrophobicContact CB-CB 4.5Å; I738-K819 PolarHBondContact N-O 3.48Å; I738-K819 PolarHBondContact O-N 3.45Å
820	Y	92.5	Very high	76.4	Confident	21 Å²	21	65.6 Å²	65.6	8%	0.082	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	167.5	166.9	61.6	-100.8	0	0	0	110.8	T710 V711 I730 P731 A734 R735 Y818 I822	T710-Y820 CarbonylContact C-O 3.45Å; T710-Y820 WeakPolarHBondContact CA-O 3.36Å; V711-Y820 HydrophobicContact CB-CD2 4.13Å; V711-Y820 HydrophobicContact CB-CE1 4.18Å; V711-Y820 HydrophobicContact CB-CE2 3.76Å; V711-Y820 HydrophobicContact CB-CG 4.48Å; V711-Y820 HydrophobicContact CG1-CE1 4.14Å; V711-Y820 HydrophobicContact CG1-CE2 4.4Å; V711-Y820 HydrophobicContact CG2-CD2 4.3Å; V711-Y820 HydrophobicContact CG2-CE2 3.66Å; V711-Y820 PolarHBondContact N-O 3.25Å; V711-Y820 PolarHBondContact O-N 2.58Å; I730-Y820 HydrophobicContact CB-CE1 4.43Å; I730-Y820 HydrophobicContact CD1-CD1 4.12Å; I730-Y820 HydrophobicContact CG1-CD1 4.2Å; I730-Y820 HydrophobicContact CG1-CE1 4.1Å; I730-Y820 HydrophobicContact CG2-CD1 3.82Å; I730-Y820 HydrophobicContact CG2-CE1 3.91Å; I730-Y820 HydrophobicContact CG2-CG 4.23Å; P731-Y820 HydrophobicContact CG-CE2 4.4Å; A734-Y820 HydrophobicContact CB-CD2 3.74Å; A734-Y820 HydrophobicContact CB-CE2 4.27Å; A734-Y820 HydrophobicContact CB-CG 4.04Å; R735-Y820 WeakPolarHBondContact O-CA 3.5Å; Y818-Y820 AromaticContact CD2-CD1 3.86Å; Y818-Y820 HydrophobicContact CD2-CD1 3.86Å; Y818-Y820 AromaticContact CD2-CE1 3.78Å; Y818-Y820 HydrophobicContact CD2-CE1 3.78Å; Y818-Y820 HydrophobicContact CE2-CD1 4.15Å; Y818-Y820 AromaticContact CE2-CE1 3.59Å; Y818-Y820 HydrophobicContact CE2-CE1 3.59Å; Y820-I822 HydrophobicContact CD2-CB 4.24Å; Y820-I822 HydrophobicContact CD2-CG2 4.13Å; Y820-I822 HydrophobicContact CE2-CB 4.16Å; Y820-I822 HydrophobicContact CE2-CG2 3.75Å
821	I	90.9	Very high	74.8	Confident	13 Å²	13	65.2 Å²	65.2	7%	0.067	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	139.8	174.5	-53.7	-176.2	0	0	0	108.3	K697 C708 T710 A734 R735	K697-I821 HydrophobicContact CB-CD1 3.97Å; K697-I821 VanDerWaalsContact O-CG2 3.3Å; K697-I821 WeakPolarHBondContact O-CG2 3.31Å; C708-I821 HydrophobicContact CB-CG2 3.82Å; C708-I821 WeakPolarHBondContact SG-CG2 2.99Å; T710-I821 HydrophobicContact CG2-CG1 4.46Å; A734-I821 WeakPolarHBondContact CA-O 3.35Å; R735-I821 PolarHBondContact N-O 2.8Å; R735-I821 PolarHBondContact O-N 3.42Å
822	I	87.4	Confident	73.2	Confident	1 Å²	1	65.5 Å²	65.5	1%	0.005	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	136.8	179.2	-176.4	160.8	0	0	0	111.3	C708 R709 V711 P731 Y820 L826 L827	C708-I822 WeakPolarHBondContact CA-O 3.35Å; C708-I822 WeakPolarHBondContact CB-O 3.4Å; R709-I822 HydrophobicContact CG-CG2 4.05Å; R709-I822 PolarHBondContact N-O 3.49Å; R709-I822 PolarHBondContact O-N 2.98Å; V711-I822 HydrophobicContact CG2-CG2 4.12Å; P731-I822 HydrophobicContact CB-CD1 4.46Å; P731-I822 HydrophobicContact CG-CD1 3.73Å; Y820-I822 HydrophobicContact CD2-CB 4.24Å; Y820-I822 HydrophobicContact CD2-CG2 4.13Å; Y820-I822 HydrophobicContact CE2-CB 4.16Å; Y820-I822 HydrophobicContact CE2-CG2 3.75Å; I822-L826 HydrophobicContact CD1-CB 4.41Å; I822-L826 HydrophobicContact CG1-CB 4.19Å; I822-L827 HydrophobicContact CB-CD2 4.43Å; I822-L827 HydrophobicContact CD1-CD2 4.18Å; I822-L827 HydrophobicContact CG1-CD2 4.07Å; I822-L827 HydrophobicContact CG2-CD2 3.55Å
823	H	83.8	Confident	71.4	Confident	31 Å²	31	70.2 Å²	70.2	14%	0.144	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	142	177.2	-169.5	-90.1	0	0	0	111.7	H707 D825 L826	H707-H823 WeakPolarHBondContact O-CA 3.16Å; H707-H823 PolarHBondContact O-CD2 3.39Å; H707-H823 VanDerWaalsContact O-CD2 3.3Å; H823-D825 IonicContact CE1-OD2 2.78Å; H823-D825 PolarHBondContact CE1-OD2 2.81Å; H823-D825 PolarHBondContact ND1-N 2.97Å; H823-D825 IonicContact ND1-OD2 3.35Å; H823-D825 PolarHBondContact O-N 2.89Å; H823-L826 HydrophobicContact CB-CB 4.34Å; H823-L826 HydrophobicContact CB-CD1 4.11Å; H823-L826 HydrophobicContact CB-CG 4.21Å; H823-L826 PolarHBondContact O-N 3.17Å
824	E	79.1	Confident	69.3	Low	109 Å²	109	70.2 Å²	70.2	51%	0.509	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-63.9	-37.9	-173.1	-65.5	-162.4	136.8	0	0	113.6	H707 L826 L827	H707-E824 PolarHBondContact O-N 3.01Å; E824-L826 VanDerWaalsContact C-N 3.25Å; E824-L826 PolarHBondContact O-N 2.87Å; E824-L827 HydrophobicContact CB-CD1 4.48Å; E824-L827 WeakPolarHBondContact O-CB 3.36Å; E824-L827 WeakPolarHBondContact O-CD1 3.47Å; E824-L827 WeakPolarHBondContact O-CG 3.47Å; E824-L827 PolarHBondContact O-N 2.93Å
825	D	67.8	Low	67	Low	132 Å²	132	76 Å²	76	71%	0.706	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-68.6	-19.9	174.8	-70.5	-40.3	0	0	0	114	H823 L827	H823-D825 IonicContact CE1-OD2 2.78Å; H823-D825 PolarHBondContact CE1-OD2 2.81Å; H823-D825 PolarHBondContact ND1-N 2.97Å; H823-D825 IonicContact ND1-OD2 3.35Å; H823-D825 PolarHBondContact O-N 2.89Å; D825-L827 VanDerWaalsContact C-N 3.3Å
826	L	65.3	Low	64.5	Low	95 Å²	95	83 Å²	83	50%	0.497	44%	0.441	S	S	.	.	G	3₁₀ helix	trans	-88.5	1.3	179.5	-68.7	-179.8	0	0	0	112.8	I822 H823 E824 P828	I822-L826 HydrophobicContact CD1-CB 4.41Å; I822-L826 HydrophobicContact CG1-CB 4.19Å; H823-L826 HydrophobicContact CB-CB 4.34Å; H823-L826 HydrophobicContact CB-CD1 4.11Å; H823-L826 HydrophobicContact CB-CG 4.21Å; H823-L826 PolarHBondContact O-N 3.17Å; E824-L826 VanDerWaalsContact C-N 3.25Å; E824-L826 PolarHBondContact O-N 2.87Å; L826-P828 WeakPolarHBondContact O-CD 3.27Å
827	L	64.4	Low	62.2	Low	48 Å²	48	90.2 Å²	90.2	25%	0.251	48%	0.48	S	S	.	.			trans	-71.8	111.1	174.9	-59.8	178.7	0	0	0	110	R709 I822 E824 D825 L829	R709-L827 HydrophobicContact CG-CD1 4.49Å; R709-L827 HydrophobicContact CG-CD2 4.43Å; R709-L827 VanDerWaalsContact CZ-CD1 3.48Å; R709-L827 VanDerWaalsContact NE-CD2 3.31Å; I822-L827 HydrophobicContact CB-CD2 4.43Å; I822-L827 HydrophobicContact CD1-CD2 4.18Å; I822-L827 HydrophobicContact CG1-CD2 4.07Å; I822-L827 HydrophobicContact CG2-CD2 3.55Å; E824-L827 HydrophobicContact CB-CD1 4.48Å; E824-L827 WeakPolarHBondContact O-CB 3.36Å; E824-L827 WeakPolarHBondContact O-CD1 3.47Å; E824-L827 WeakPolarHBondContact O-CG 3.47Å; E824-L827 PolarHBondContact O-N 2.93Å; D825-L827 VanDerWaalsContact C-N 3.3Å; L827-L829 PolarHBondContact O-N 2.78Å
828	P	51.1	Low	59.6	Low	84 Å²	84	94.7 Å²	94.7	55%	0.545	52%	0.517	S	S	.	.			trans	-67.4	140.1	176.1	-15.4	31.9	0	0	0	109.3	L826 I830	L826-P828 WeakPolarHBondContact O-CD 3.27Å; P828-I830 WeakPolarHBondContact O-CG1 3.35Å; P828-I830 PolarHBondContact O-N 3.43Å
829	L	41.9	Very low	57.3	Low	161 Å²	161	102.2 Å²	102.2	84%	0.843	55%	0.553	S	S	*	*			trans	-42.1	113.9	159.3	-66.8	154.7	0	0	0	108.8	L827 T831	L827-L829 PolarHBondContact O-N 2.78Å; L829-T831 PolarHBondContact O-N 2.66Å
830	I	39.1	Very low	55.2	Low	130 Å²	130	105.4 Å²	105.4	67%	0.667	57%	0.574	S	S	*	*			trans	-77.7	73	-170.5	-50.4	-179.8	0	0	0	110.8	P828	P828-I830 WeakPolarHBondContact O-CG1 3.35Å; P828-I830 PolarHBondContact O-N 3.43Å
831	T	35.8	Very low	53.1	Low	117 Å²	117	107.1 Å²	107.1	72%	0.718	58%	0.584	S	S	*	*			trans	-89.3	97.6	160.2	54.9	0	0	0	0	107.4	L829	L829-T831 PolarHBondContact O-N 2.66Å
832	N	39.1	Very low	51.9	Low	128 Å²	128	109.7 Å²	109.7	68%	0.684	60%	0.601	S	S	*	*	S	Bend	cis	-150.4	171.6	23.3	-66.1	-51.7	0	0	0	112.7
833	N	42.7	Very low	51.4	Low	140 Å²	140	113.5 Å²	113.5	75%	0.749	62%	0.615	S	S	*	*	S	Bend	trans	70.4	76.8	162.9	-61	-7.9	0	0	0	117.2
834	N	37	Very low	51.3	Low	143 Å²	143	115 Å²	115	77%	0.765	62%	0.622	S	S	*	*				116.3	126.1	128.9	-60.2	-16.2	0	0	0	117.7
835	V	36.3	Very low	51.7	Low	122 Å²	122	111.2 Å²	111.2	74%	0.739	60%	0.603	S	S	*	*			trans	85.4	87.6	164.4	-162.1	0	0	0	0	117.8
836	L	36.7	Very low	52.5	Low	151 Å²	151	105.5 Å²	105.5	79%	0.791	57%	0.574	S	S	*	*			trans	57.8	132.8	136.7	-56.3	173.5	0	0	0	119.9
837	L	40	Very low	53.1	Low	153 Å²	153	104.9 Å²	104.9	80%	0.801	57%	0.571	S	S	*	*			cis	-127.2	150.8	-10.6	-76.9	100.6	0	0	0	109.2
838	A	37	Very low	53.9	Low	101 Å²	101	109 Å²	109	84%	0.835	59%	0.587	S	S	*	*			trans	-128.2	100.1	170.8	0	0	0	0	0	109.8
839	E	42.1	Very low	55.4	Low	181 Å²	181	107.5 Å²	107.5	85%	0.846	58%	0.579	S	S	*	*			trans	-85.1	149.3	163.6	-70.8	-161.8	120.8	0	0	110.5	D841	E839-D841 PolarHBondContact O-N 3.05Å
840	L	49.2	Very low	57.3	Low	153 Å²	153	103.9 Å²	103.9	80%	0.801	55%	0.554	S	S	*	*			trans	-85	72.1	-160.6	-78.5	146.2	0	0	0	113.4	T842	L840-T842 PolarHBondContact O-N 3.24Å
841	D	49.1	Very low	59.2	Low	56 Å²	56	98.8 Å²	98.8	30%	0.299	53%	0.53	S	S	.	.			trans	-65.6	81.2	164.9	-85.6	-19.9	0	0	0	111.1	E839 Y843 R870 S872	E839-D841 PolarHBondContact O-N 3.05Å; D841-Y843 HydrophobicContact CB-CE2 4.39Å; D841-Y843 VanDerWaalsContact O-CD2 3.28Å; D841-Y843 WeakPolarHBondContact O-CD2 3.36Å; D841-Y843 WeakPolarHBondContact O-CE2 3.12Å; D841-R870 HydrophobicContact CB-CG 4.12Å; D841-R870 VanDerWaalsContact CG-CD 3.5Å; D841-R870 IonicContact OD1-NE 3.47Å; D841-R870 IonicContact OD1-NH1 3.1Å; D841-R870 WeakPolarHBondContact OD2-CD 3.38Å; D841-R870 IonicContact OD2-CZ 3.9Å; D841-R870 IonicContact OD2-NE 3.83Å; D841-R870 IonicContact OD2-NH1 3.84Å; D841-R870 PolarHBondContact OD2-NH1 3.4Å; D841-S872 WeakPolarHBondContact OD1-CB 3.43Å; D841-S872 PolarHBondContact OD1-OG 3.27Å
842	T	65.5	Low	61.3	Low	68 Å²	68	101.9 Å²	101.9	42%	0.417	54%	0.536	S	S	.	.			trans	-84.6	142.1	173.7	46.3	0	0	0	0	110.5	L840 K871	L840-T842 PolarHBondContact O-N 3.24Å; T842-K871 VanDerWaalsContact O-CB 3.24Å; T842-K871 WeakPolarHBondContact O-CB 3.16Å; T842-K871 WeakPolarHBondContact O-CG 3.37Å; T842-K871 PolarHBondContact O-N 2.8Å; T842-K871 WeakPolarHBondContact OG1-CD 3.34Å
843	Y	76.8	Confident	63.3	Low	81 Å²	81	97 Å²	97	32%	0.318	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	142.8	-170.9	-62.6	-79.1	0	0	0	112.3	D841 R869 R870 V877 F881	D841-Y843 HydrophobicContact CB-CE2 4.39Å; D841-Y843 VanDerWaalsContact O-CD2 3.28Å; D841-Y843 WeakPolarHBondContact O-CD2 3.36Å; D841-Y843 WeakPolarHBondContact O-CE2 3.12Å; Y843-R869 CarbonylContact C-O 3.56Å; Y843-R869 WeakPolarHBondContact CA-O 3.26Å; Y843-R870 HydrophobicContact CD1-CB 3.92Å; Y843-R870 HydrophobicContact CD1-CG 4.13Å; Y843-R870 HydrophobicContact CE1-CB 3.67Å; Y843-R870 HydrophobicContact CE1-CG 3.56Å; Y843-V877 HydrophobicContact CD1-CG2 3.67Å; Y843-V877 HydrophobicContact CE1-CG1 4.32Å; Y843-V877 HydrophobicContact CE1-CG2 3.75Å; Y843-F881 VanDerWaalsContact CB-O 3.27Å; Y843-F881 WeakPolarHBondContact CB-O 3.39Å; Y843-F881 HydrophobicContact CD1-CB 3.83Å; Y843-F881 HydrophobicContact CD2-CB 3.94Å; Y843-F881 HydrophobicContact CE1-CB 4.07Å; Y843-F881 HydrophobicContact CE1-CG 4.3Å; Y843-F881 HydrophobicContact CE2-CB 4.19Å; Y843-F881 HydrophobicContact CE2-CD1 4.29Å; Y843-F881 HydrophobicContact CE2-CG 4.46Å; Y843-F881 HydrophobicContact CG-CB 3.77Å
844	E	82.4	Confident	65	Low	61 Å²	61	94.5 Å²	94.5	29%	0.285	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	156.6	179.5	62.6	171.3	-158.5	0	0	114	A846 R869 K871 C882	E844-A846 PolarHBondContact O-N 2.03Å; E844-A846 VanDerWaalsContact O-N 3.16Å; E844-R869 PolarHBondContact N-O 2.87Å; E844-R869 PolarHBondContact O-N 3.32Å; E844-R869 IonicContact OE1-CZ 3.49Å; E844-R869 IonicContact OE1-NE 2.68Å; E844-R869 PolarHBondContact OE1-NE 2.86Å; E844-R869 IonicContact OE1-NH2 3.43Å; E844-R869 PolarHBondContact OE1-NH2 2.87Å; E844-K871 VanDerWaalsContact CD-CE 3.4Å; E844-K871 HydrophobicContact CG-CG 4.07Å; E844-K871 WeakPolarHBondContact OE2-CE 3.43Å; E844-K871 IonicContact OE2-NZ 3.29Å; E844-K871 PolarHBondContact OE2-NZ 2.85Å; E844-C882 PolarHBondContact N-SG 2.99Å; E844-C882 PolarHBondContact O-SG 3.09Å
845	W	85.5	Confident	66.5	Low	30 Å²	30	92.8 Å²	92.8	11%	0.114	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	95.1	177	-74.9	103.2	0	0	0	112.1	R879 C882 E883 K887 P888	W845-R879 HydrophobicContact CH2-CG 3.45Å; W845-R879 VanDerWaalsContact CH2-CG 3.45Å; W845-R879 HydrophobicContact CZ2-CG 4.43Å; W845-R879 HydrophobicContact CZ3-CG 3.92Å; W845-C882 HydrophobicContact CD2-CB 4.06Å; W845-C882 HydrophobicContact CG-CB 4.27Å; W845-C882 HydrophobicContact CZ2-CB 4.08Å; W845-E883 PolarHBondContact NE1-O 3.46Å; W845-K887 HydrophobicContact CD2-CB 4.09Å; W845-K887 HydrophobicContact CD2-CG 3.89Å; W845-K887 HydrophobicContact CE3-CD 4.5Å; W845-K887 HydrophobicContact CE3-CG 4.01Å; W845-K887 HydrophobicContact CG-CB 4.45Å; W845-K887 HydrophobicContact CG-CG 4.5Å; W845-K887 HydrophobicContact CH2-CB 4.45Å; W845-K887 HydrophobicContact CH2-CD 3.75Å; W845-K887 HydrophobicContact CH2-CG 4Å; W845-K887 HydrophobicContact CZ2-CB 3.89Å; W845-K887 HydrophobicContact CZ2-CD 4Å; W845-K887 HydrophobicContact CZ2-CG 3.94Å; W845-K887 HydrophobicContact CZ3-CD 4.04Å; W845-K887 HydrophobicContact CZ3-CG 4.05Å; W845-P888 VanDerWaalsContact CB-CD 3.49Å; W845-P888 HydrophobicContact CB-CG 4.19Å
846	A	84.8	Confident	67.8	Low	12 Å²	12	91.2 Å²	91.2	10%	0.099	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	158.3	175	0	0	0	0	0	112.6	E844 K848 Y866 G867 R869	E844-A846 PolarHBondContact O-N 2.03Å; E844-A846 VanDerWaalsContact O-N 3.16Å; A846-K848 PolarHBondContact O-N 2.84Å; A846-Y866 CarbonylContact O-C 3.56Å; A846-Y866 VanDerWaalsContact O-CA 3.25Å; A846-Y866 WeakPolarHBondContact O-CA 3.23Å; A846-G867 PolarHBondContact N-O 2.65Å; A846-G867 PolarHBondContact O-N 3.02Å; A846-R869 HydrophobicContact CB-CB 3.55Å; A846-R869 HydrophobicContact CB-CG 4.23Å
847	L	79.5	Confident	69.2	Low	83 Å²	83	85.1 Å²	85.1	44%	0.435	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	111.7	170.6	179.8	63.4	0	0	0	109.5	S849 T864	L847-S849 WeakPolarHBondContact CD1-O 3.45Å; L847-T864 HydrophobicContact CD1-CG2 3.55Å
848	K	80.9	Confident	70.3	Confident	134 Å²	134	79.8 Å²	79.8	58%	0.583	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.3	-43.3	176.8	175.2	160.3	-175.7	167.9	0	111.7	A846 K865 L876	A846-K848 PolarHBondContact O-N 2.84Å; K848-K865 WeakPolarHBondContact CB-O 3.39Å; K848-K865 PolarHBondContact N-O 2.87Å; K848-L876 HydrophobicContact CB-CD1 4.23Å; K848-L876 HydrophobicContact CB-CD2 4.12Å; K848-L876 HydrophobicContact CD-CD1 4.28Å; K848-L876 HydrophobicContact CG-CD1 3.94Å; K848-L876 HydrophobicContact CG-CD2 4.49Å
849	S	81.4	Confident	72.1	Confident	53 Å²	53	76.1 Å²	76.1	37%	0.371	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.6	176.4	176	57.5	0	0	0	0	111.8	L847 K865	L847-S849 WeakPolarHBondContact CD1-O 3.45Å; S849-K865 PolarHBondContact N-O 2.88Å; S849-K865 VanDerWaalsContact N-O 3.16Å; S849-K865 WeakPolarHBondContact O-CA 3.33Å; S849-K865 WeakPolarHBondContact O-CB 3.4Å; S849-K865 PolarHBondContact O-N 3.04Å
850	W	82.1	Confident	73.7	Confident	84 Å²	84	67.6 Å²	67.6	32%	0.318	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	158.9	161.7	-68.7	87.3	0	0	0	110.1	Q862 Y863 T864 I891 K893	W850-Q862 HydrophobicContact CB-CB 4.33Å; W850-Q862 HydrophobicContact CE3-CB 3.85Å; W850-Y863 CarbonylContact C-O 3.55Å; W850-Y863 WeakPolarHBondContact CA-O 3.36Å; W850-Y863 VanDerWaalsContact CE3-C 3.5Å; W850-T864 HydrophobicContact CD2-CG2 4.14Å; W850-T864 HydrophobicContact CE3-CG2 3.88Å; W850-T864 HydrophobicContact CH2-CG2 3.36Å; W850-T864 HydrophobicContact CZ2-CG2 3.64Å; W850-T864 HydrophobicContact CZ3-CG2 3.5Å; W850-T864 VanDerWaalsContact CZ3-CG2 3.5Å; W850-I891 WeakPolarHBondContact CZ3-O 3.44Å; W850-K893 HydrophobicContact CE3-CB 4.15Å; W850-K893 HydrophobicContact CH2-CB 3.49Å; W850-K893 VanDerWaalsContact CH2-CB 3.49Å; W850-K893 HydrophobicContact CH2-CD 4.06Å; W850-K893 HydrophobicContact CH2-CG 4.35Å; W850-K893 HydrophobicContact CZ2-CB 4.28Å; W850-K893 HydrophobicContact CZ2-CD 3.98Å; W850-K893 HydrophobicContact CZ3-CB 3.4Å; W850-K893 VanDerWaalsContact CZ3-CB 3.4Å
851	S	79.8	Confident	75.1	Confident	23 Å²	23	63.1 Å²	63.1	16%	0.161	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-61.6	170.6	166	70.3	0	0	0	0	111.3	Q862 Y863	S851-Q862 WeakPolarHBondContact O-CG 3.31Å; S851-Q862 PolarHBondContact O-NE2 3.25Å; S851-Q862 WeakPolarHBondContact OG-CA 3.47Å; S851-Y863 PolarHBondContact N-O 3.49Å; S851-Y863 PolarHBondContact OG-N 3.27Å
852	Q	80.3	Confident	76.6	Confident	183 Å²	183	62.7 Å²	62.7	86%	0.855	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-63.6	155.1	158.6	-68.5	-179.9	-3.2	0	0	109.7
853	C	81.1	Confident	77.4	Confident	26 Å²	26	64.6 Å²	64.6	18%	0.176	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-80.5	131.4	-178	-174.5	0	0	0	0	111.1	K855 Q862 C895 N896	C853-K855 PolarHBondContact O-N 2.66Å; C853-K855 PolarHBondContact SG-O 3.06Å; C853-Q862 HydrophobicContact CB-CG 3.91Å; C853-C895 HydrophobicContact CB-CB 3.87Å; C853-C895 WeakPolarHBondContact CB-SG 3.33Å; C853-C895 WeakPolarHBondContact SG-CB 3.44Å; C853-C895 CovalentContact SG-SG 2.02Å; C853-C895 PolarHBondContact SG-SG 3.3Å; C853-N896 WeakPolarHBondContact CB-ND2 3.26Å; C853-N896 VanDerWaalsContact SG-CG 3.59Å; C853-N896 PolarHBondContact SG-ND2 2.86Å
854	S	77.8	Confident	77.7	Confident	86 Å²	86	61.2 Å²	61.2	60%	0.601	33%	0.329	S	S	*	.	S	Bend	trans	-68	-4.7	-175.3	63.4	0	0	0	0	115.6	I861	S854-I861 PolarHBondContact N-O 2.71Å; S854-I861 PolarHBondContact OG-N 2.99Å; S854-I861 PolarHBondContact OG-O 3.32Å
855	K	67.9	Low	77.6	Confident	107 Å²	107	64.1 Å²	64.1	47%	0.465	34%	0.34	S	S	.	.	S	Bend	trans	-139.7	145.3	165.8	-58.5	-169.8	-164.3	162.7	0	110.4	C853 C857 G859 N896	C853-K855 PolarHBondContact O-N 2.66Å; C853-K855 PolarHBondContact SG-O 3.06Å; K855-C857 WeakPolarHBondContact CB-O 3.45Å; K855-G859 WeakPolarHBondContact CD-O 3.43Å; K855-G859 WeakPolarHBondContact CE-O 3.32Å; K855-G859 PolarHBondContact NZ-O 2.98Å; K855-N896 PolarHBondContact O-ND2 2.87Å
856	P	63.1	Low	77.6	Confident	89 Å²	89	64.7 Å²	64.7	58%	0.578	34%	0.343	S	S	*	.	S	Bend	trans	-75	-23.8	179.1	29.8	-35	0	0	0	114	N896	P856-N896 PolarHBondContact O-ND2 2.96Å
857	C	66.1	Low	77.5	Confident	23 Å²	23	64.5 Å²	64.5	16%	0.155	34%	0.342	C	S	.	.	S	Bend	trans	-158.3	175	175.8	52.2	0	0	0	0	108.5	K855 G859 N896 C900	K855-C857 WeakPolarHBondContact CB-O 3.45Å; C857-G859 PolarHBondContact O-N 2.82Å; C857-N896 CarbonylContact C-O 3.38Å; C857-N896 WeakPolarHBondContact CA-O 3.35Å; C857-C900 HydrophobicContact CB-CB 4.08Å; C857-C900 WeakPolarHBondContact CB-SG 3.17Å; C857-C900 WeakPolarHBondContact SG-CB 3.34Å; C857-C900 CovalentContact SG-SG 2.04Å; C857-C900 PolarHBondContact SG-SG 3.26Å
858	G	63.4	Low	77.8	Confident	41 Å²	41	60.6 Å²	60.6	42%	0.423	32%	0.322	S	S	.	.	S	Bend	trans	68.3	29.6	176.8	0	0	0	0	0	114.8	N896 Q898	G858-N896 PolarHBondContact N-O 3.08Å; G858-Q898 PolarHBondContact N-O 2.85Å
859	G	75.5	Confident	77.8	Confident	25 Å²	25	58.7 Å²	58.7	26%	0.258	31%	0.311	S	S	.	.	S	Bend	trans	76	91.6	173.6	0	0	0	0	0	114.3	K855 C857 N896	K855-G859 WeakPolarHBondContact CD-O 3.43Å; K855-G859 WeakPolarHBondContact CE-O 3.32Å; K855-G859 PolarHBondContact NZ-O 2.98Å; C857-G859 PolarHBondContact O-N 2.82Å; G859-N896 PolarHBondContact N-O 2.76Å
860	G	76.4	Confident	77.6	Confident	2 Å²	2	59.5 Å²	59.5	2%	0.021	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	-174.2	167.9	0	0	0	0	0	113.2	R894 C895	G860-R894 WeakPolarHBondContact O-CA 3.26Å; G860-C895 PolarHBondContact N-O 2.72Å; G860-C895 PolarHBondContact O-N 2.75Å; G860-C895 PolarHBondContact O-SG 3.46Å
861	I	78.5	Confident	77.2	Confident	59 Å²	59	61.1 Å²	61.1	30%	0.303	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	140.8	176.6	-59.6	177.2	0	0	0	110.3	S854 Y863 R892 K893 C895	S854-I861 PolarHBondContact N-O 2.71Å; S854-I861 PolarHBondContact OG-N 2.99Å; S854-I861 PolarHBondContact OG-O 3.32Å; I861-Y863 HydrophobicContact CG2-CE2 4.32Å; I861-R892 HydrophobicContact CG2-CB 3.93Å; I861-K893 CarbonylContact C-O 3.59Å; I861-K893 WeakPolarHBondContact CA-O 3.02Å; I861-C895 VanDerWaalsContact CA-SG 3.59Å; I861-C895 PolarHBondContact N-SG 2.02Å; I861-C895 VanDerWaalsContact N-SG 3.35Å
862	Q	79.1	Confident	76.8	Confident	47 Å²	47	63.6 Å²	63.6	22%	0.22	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	153.2	168.8	-81.3	169.8	-50	0	0	111	W850 S851 C853 R892 K893 C895	W850-Q862 HydrophobicContact CB-CB 4.33Å; W850-Q862 HydrophobicContact CE3-CB 3.85Å; S851-Q862 WeakPolarHBondContact O-CG 3.31Å; S851-Q862 PolarHBondContact O-NE2 3.25Å; S851-Q862 WeakPolarHBondContact OG-CA 3.47Å; C853-Q862 HydrophobicContact CB-CG 3.91Å; Q862-R892 CarbonylContact O-C 3.52Å; Q862-R892 WeakPolarHBondContact O-CA 3.01Å; Q862-K893 PolarHBondContact N-O 3.29Å; Q862-K893 PolarHBondContact O-N 2.89Å; Q862-C895 HydrophobicContact CG-CB 4.06Å; Q862-C895 VanDerWaalsContact CG-SG 3.57Å
863	Y	83.3	Confident	76.4	Confident	108 Å²	108	57.9 Å²	57.9	42%	0.424	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	145.8	176.2	-59.4	-92.2	0	0	0	111	W850 S851 I861 I891 R892	W850-Y863 CarbonylContact C-O 3.55Å; W850-Y863 WeakPolarHBondContact CA-O 3.36Å; W850-Y863 VanDerWaalsContact CE3-C 3.5Å; S851-Y863 PolarHBondContact N-O 3.49Å; S851-Y863 PolarHBondContact OG-N 3.27Å; I861-Y863 HydrophobicContact CG2-CE2 4.32Å; Y863-I891 CarbonylContact C-O 3.59Å; Y863-I891 WeakPolarHBondContact CA-O 3Å; Y863-R892 HydrophobicContact CD1-CB 4.37Å; Y863-R892 HydrophobicContact CE1-CB 4.33Å
864	T	82.8	Confident	75.8	Confident	10 Å²	10	58.4 Å²	58.4	6%	0.061	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	134.2	173.2	50.3	0	0	0	0	112.1	L847 W850 Y866 I891	L847-T864 HydrophobicContact CD1-CG2 3.55Å; W850-T864 HydrophobicContact CD2-CG2 4.14Å; W850-T864 HydrophobicContact CE3-CG2 3.88Å; W850-T864 HydrophobicContact CH2-CG2 3.36Å; W850-T864 HydrophobicContact CZ2-CG2 3.64Å; W850-T864 HydrophobicContact CZ3-CG2 3.5Å; W850-T864 VanDerWaalsContact CZ3-CG2 3.5Å; T864-Y866 WeakPolarHBondContact OG1-CE2 3.48Å; T864-Y866 VanDerWaalsContact OG1-CZ 3.27Å; T864-Y866 PolarHBondContact OG1-OH 3.09Å; T864-I891 HydrophobicContact CG2-CB 4Å; T864-I891 PolarHBondContact N-O 3.25Å; T864-I891 PolarHBondContact OG1-N 3.19Å
865	K	81.1	Confident	75.7	Confident	121 Å²	121	62.9 Å²	62.9	53%	0.526	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	112.7	168.2	-67.5	-175	173.1	-174.1	0	108.7	K848 S849	K848-K865 WeakPolarHBondContact CB-O 3.39Å; K848-K865 PolarHBondContact N-O 2.87Å; S849-K865 PolarHBondContact N-O 2.88Å; S849-K865 VanDerWaalsContact N-O 3.16Å; S849-K865 WeakPolarHBondContact O-CA 3.33Å; S849-K865 WeakPolarHBondContact O-CB 3.4Å; S849-K865 PolarHBondContact O-N 3.04Å
866	Y	84.8	Confident	76	Confident	42 Å²	42	61.6 Å²	61.6	17%	0.165	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	142.4	176	-59.8	-83.4	0	0	0	111.5	A846 T864 P888 I891	A846-Y866 CarbonylContact O-C 3.56Å; A846-Y866 VanDerWaalsContact O-CA 3.25Å; A846-Y866 WeakPolarHBondContact O-CA 3.23Å; T864-Y866 WeakPolarHBondContact OG1-CE2 3.48Å; T864-Y866 VanDerWaalsContact OG1-CZ 3.27Å; T864-Y866 PolarHBondContact OG1-OH 3.09Å; Y866-P888 HydrophobicContact CD1-CB 4.42Å; Y866-P888 HydrophobicContact CD1-CG 4.24Å; Y866-P888 HydrophobicContact CD2-CB 4.25Å; Y866-P888 HydrophobicContact CE1-CB 4.06Å; Y866-P888 HydrophobicContact CE1-CG 4.18Å; Y866-P888 HydrophobicContact CE2-CB 3.86Å; Y866-I891 WeakPolarHBondContact OH-CD1 3.42Å
867	G	83.6	Confident	76.7	Confident	9 Å²	9	59.4 Å²	59.4	9%	0.093	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	166.3	168.1	0	0	0	0	0	110.2	A846	A846-G867 PolarHBondContact N-O 2.65Å; A846-G867 PolarHBondContact O-N 3.02Å
868	C	84.1	Confident	76.8	Confident	0 Å²	0	64 Å²	64	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	137.5	171.5	-171.1	0	0	0	0	109.6	L876 V877 H878 F881 C882	C868-L876 CarbonylContact O-C 3.51Å; C868-L876 VanDerWaalsContact O-CA 3.3Å; C868-L876 WeakPolarHBondContact O-CA 3.26Å; C868-V877 HydrophobicContact CB-CG2 4.01Å; C868-V877 PolarHBondContact O-N 2.53Å; C868-H878 WeakPolarHBondContact CB-O 3.11Å; C868-F881 VanDerWaalsContact SG-C 3.56Å; C868-C882 WeakPolarHBondContact CA-SG 3.38Å; C868-C882 HydrophobicContact CB-CB 3.69Å; C868-C882 WeakPolarHBondContact CB-SG 3.39Å; C868-C882 WeakPolarHBondContact SG-CB 3.44Å; C868-C882 PolarHBondContact SG-N 3.06Å; C868-C882 CovalentContact SG-SG 2.03Å; C868-C882 PolarHBondContact SG-SG 2.95Å
869	R	81.6	Confident	77.1	Confident	94 Å²	94	68.1 Å²	68.1	36%	0.355	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	134	-179.6	179.4	172.4	74.6	163.7	2	110.4	Y843 E844 A846 G874 R875 L876	Y843-R869 CarbonylContact C-O 3.56Å; Y843-R869 WeakPolarHBondContact CA-O 3.26Å; E844-R869 PolarHBondContact N-O 2.87Å; E844-R869 PolarHBondContact O-N 3.32Å; E844-R869 IonicContact OE1-CZ 3.49Å; E844-R869 IonicContact OE1-NE 2.68Å; E844-R869 PolarHBondContact OE1-NE 2.86Å; E844-R869 IonicContact OE1-NH2 3.43Å; E844-R869 PolarHBondContact OE1-NH2 2.87Å; A846-R869 HydrophobicContact CB-CB 3.55Å; A846-R869 HydrophobicContact CB-CG 4.23Å; R869-G874 VanDerWaalsContact CD-O 3.25Å; R869-G874 WeakPolarHBondContact CD-O 3.43Å; R869-G874 WeakPolarHBondContact CG-O 3.36Å; R869-R875 VanDerWaalsContact CA-O 3.31Å; R869-R875 WeakPolarHBondContact CA-O 3.44Å; R869-L876 HydrophobicContact CB-CD2 4.35Å
870	R	78	Confident	76.7	Confident	71 Å²	71	72.6 Å²	72.6	27%	0.268	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	134.2	172.5	-166.7	167.4	78.4	148.3	-10.6	109.6	D841 Y843 D873 G874 R875 V877	D841-R870 HydrophobicContact CB-CG 4.12Å; D841-R870 VanDerWaalsContact CG-CD 3.5Å; D841-R870 IonicContact OD1-NE 3.47Å; D841-R870 IonicContact OD1-NH1 3.1Å; D841-R870 WeakPolarHBondContact OD2-CD 3.38Å; D841-R870 IonicContact OD2-CZ 3.9Å; D841-R870 IonicContact OD2-NE 3.83Å; D841-R870 IonicContact OD2-NH1 3.84Å; D841-R870 PolarHBondContact OD2-NH1 3.4Å; Y843-R870 HydrophobicContact CD1-CB 3.92Å; Y843-R870 HydrophobicContact CD1-CG 4.13Å; Y843-R870 HydrophobicContact CE1-CB 3.67Å; Y843-R870 HydrophobicContact CE1-CG 3.56Å; R870-D873 WeakPolarHBondContact CB-OD1 3.49Å; R870-D873 IonicContact CZ-OD1 2.66Å; R870-D873 IonicContact CZ-OD2 2.69Å; R870-D873 IonicContact NE-OD1 3.98Å; R870-D873 PolarHBondContact NE-OD1 2.79Å; R870-D873 VanDerWaalsContact NE-OD1 3.1Å; R870-D873 IonicContact NE-OD2 3.07Å; R870-D873 PolarHBondContact NE-OD2 3.49Å; R870-D873 VanDerWaalsContact NH2-CG 3.32Å; R870-D873 IonicContact NH2-OD1 3.72Å; R870-D873 IonicContact NH2-OD2 3.8Å; R870-D873 PolarHBondContact NH2-OD2 3.03Å; R870-G874 WeakPolarHBondContact O-CA 3.37Å; R870-G874 PolarHBondContact O-N 3.17Å; R870-R875 PolarHBondContact N-O 3.28Å; R870-V877 HydrophobicContact CB-CG1 4.02Å
871	K	73.8	Confident	76.4	Confident	117 Å²	117	77.6 Å²	77.6	51%	0.509	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-25.6	-172.4	-80.8	-176	164.2	-175.6	0	114.9	T842 E844	T842-K871 VanDerWaalsContact O-CB 3.24Å; T842-K871 WeakPolarHBondContact O-CB 3.16Å; T842-K871 WeakPolarHBondContact O-CG 3.37Å; T842-K871 PolarHBondContact O-N 2.8Å; T842-K871 WeakPolarHBondContact OG1-CD 3.34Å; E844-K871 VanDerWaalsContact CD-CE 3.4Å; E844-K871 HydrophobicContact CG-CG 4.07Å; E844-K871 WeakPolarHBondContact OE2-CE 3.43Å; E844-K871 IonicContact OE2-NZ 3.29Å; E844-K871 PolarHBondContact OE2-NZ 2.85Å
872	S	69.7	Low	76.4	Confident	76 Å²	76	75 Å²	75	53%	0.531	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-50.3	-178.3	52	0	0	0	0	112.7	D841	D841-S872 WeakPolarHBondContact OD1-CB 3.43Å; D841-S872 PolarHBondContact OD1-OG 3.27Å
873	D	73.3	Confident	76.3	Confident	63 Å²	63	77.8 Å²	77.8	34%	0.337	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.9	-4	-175.8	71.6	-14.2	0	0	0	114.1	R870 R875	R870-D873 WeakPolarHBondContact CB-OD1 3.49Å; R870-D873 IonicContact CZ-OD1 2.66Å; R870-D873 IonicContact CZ-OD2 2.69Å; R870-D873 IonicContact NE-OD1 3.98Å; R870-D873 PolarHBondContact NE-OD1 2.79Å; R870-D873 VanDerWaalsContact NE-OD1 3.1Å; R870-D873 IonicContact NE-OD2 3.07Å; R870-D873 PolarHBondContact NE-OD2 3.49Å; R870-D873 VanDerWaalsContact NH2-CG 3.32Å; R870-D873 IonicContact NH2-OD1 3.72Å; R870-D873 IonicContact NH2-OD2 3.8Å; R870-D873 PolarHBondContact NH2-OD2 3.03Å; D873-R875 HydrophobicContact CB-CG 4.43Å; D873-R875 PolarHBondContact O-N 3.43Å; D873-R875 WeakPolarHBondContact OD1-CB 3.15Å; D873-R875 PolarHBondContact OD1-N 2.89Å; D873-R875 WeakPolarHBondContact OD2-CB 3.4Å; D873-R875 WeakPolarHBondContact OD2-CD 3.19Å; D873-R875 WeakPolarHBondContact OD2-CG 3.44Å; D873-R875 IonicContact OD2-NE 3.35Å
874	G	68.9	Low	75.6	Confident	36 Å²	36	76.6 Å²	76.6	37%	0.371	37%	0.369	S	S	.	.			trans	68.3	9.4	-177.8	0	0	0	0	0	114.7	R869 R870	R869-G874 VanDerWaalsContact CD-O 3.25Å; R869-G874 WeakPolarHBondContact CD-O 3.43Å; R869-G874 WeakPolarHBondContact CG-O 3.36Å; R870-G874 WeakPolarHBondContact O-CA 3.37Å; R870-G874 PolarHBondContact O-N 3.17Å
875	R	74.3	Confident	75.1	Confident	180 Å²	180	81 Å²	81	68%	0.679	40%	0.4	S	S	*	.			trans	-75.7	145.4	-177.7	-71.3	-171.3	179.4	177.3	-2.4	112.1	R869 R870 D873 V877	R869-R875 VanDerWaalsContact CA-O 3.31Å; R869-R875 WeakPolarHBondContact CA-O 3.44Å; R870-R875 PolarHBondContact N-O 3.28Å; D873-R875 HydrophobicContact CB-CG 4.43Å; D873-R875 PolarHBondContact O-N 3.43Å; D873-R875 WeakPolarHBondContact OD1-CB 3.15Å; D873-R875 PolarHBondContact OD1-N 2.89Å; D873-R875 WeakPolarHBondContact OD2-CB 3.4Å; D873-R875 WeakPolarHBondContact OD2-CD 3.19Å; D873-R875 WeakPolarHBondContact OD2-CG 3.44Å; D873-R875 IonicContact OD2-NE 3.35Å; R875-V877 PolarHBondContact O-N 3.38Å
876	L	74.2	Confident	74.8	Confident	81 Å²	81	81.8 Å²	81.8	42%	0.424	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	109.2	175.8	-77.8	160	0	0	0	109.8	K848 C868 R869	K848-L876 HydrophobicContact CB-CD1 4.23Å; K848-L876 HydrophobicContact CB-CD2 4.12Å; K848-L876 HydrophobicContact CD-CD1 4.28Å; K848-L876 HydrophobicContact CG-CD1 3.94Å; K848-L876 HydrophobicContact CG-CD2 4.49Å; C868-L876 CarbonylContact O-C 3.51Å; C868-L876 VanDerWaalsContact O-CA 3.3Å; C868-L876 WeakPolarHBondContact O-CA 3.26Å; R869-L876 HydrophobicContact CB-CD2 4.35Å
877	V	78.4	Confident	74.6	Confident	43 Å²	43	84.2 Å²	84.2	26%	0.261	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	-179.6	-176.8	-62.8	0	0	0	0	111.9	Y843 C868 R870 R875 F881	Y843-V877 HydrophobicContact CD1-CG2 3.67Å; Y843-V877 HydrophobicContact CE1-CG1 4.32Å; Y843-V877 HydrophobicContact CE1-CG2 3.75Å; C868-V877 HydrophobicContact CB-CG2 4.01Å; C868-V877 PolarHBondContact O-N 2.53Å; R870-V877 HydrophobicContact CB-CG1 4.02Å; R875-V877 PolarHBondContact O-N 3.38Å; V877-F881 HydrophobicContact CB-CD2 4.03Å; V877-F881 HydrophobicContact CB-CE2 4.5Å; V877-F881 HydrophobicContact CG2-CB 4.19Å; V877-F881 HydrophobicContact CG2-CD2 3.85Å; V877-F881 HydrophobicContact CG2-CG 4.4Å
878	H	67.9	Low	74.6	Confident	118 Å²	118	86.2 Å²	86.2	55%	0.546	43%	0.426	S	S	.	.			trans	-61.5	151.5	178.2	-168.9	-115.8	0	0	0	112.4	C868 N880 F881	C868-H878 WeakPolarHBondContact CB-O 3.11Å; H878-N880 PolarHBondContact O-N 2.53Å; H878-N880 VanDerWaalsContact O-N 3.13Å; H878-F881 HydrophobicContact CB-CD2 4.07Å; H878-F881 HydrophobicContact CB-CE2 3.89Å; H878-F881 WeakPolarHBondContact O-CD2 3.38Å; H878-F881 PolarHBondContact O-N 3.26Å
879	R	70.4	Confident	74.2	Confident	129 Å²	129	95.1 Å²	95.1	49%	0.487	47%	0.465	S	S	.	.	G	3₁₀ helix	trans	-63.7	-26.6	-167.4	-158.4	-176.9	83.3	-178.2	3.2	113.6	W845 F881 C882	W845-R879 HydrophobicContact CH2-CG 3.45Å; W845-R879 VanDerWaalsContact CH2-CG 3.45Å; W845-R879 HydrophobicContact CZ2-CG 4.43Å; W845-R879 HydrophobicContact CZ3-CG 3.92Å; R879-F881 PolarHBondContact O-N 3.38Å; R879-C882 PolarHBondContact O-N 3.1Å
880	N	66.3	Low	74	Confident	118 Å²	118	94.8 Å²	94.8	63%	0.631	48%	0.475	S	S	*	.	G	3₁₀ helix	trans	-76.8	-20.8	-169.7	-61.5	1	0	0	0	113.4	H878 C882	H878-N880 PolarHBondContact O-N 2.53Å; H878-N880 VanDerWaalsContact O-N 3.13Å; N880-C882 PolarHBondContact O-N 3.19Å
881	F	71.1	Confident	74.2	Confident	108 Å²	108	96 Å²	96	47%	0.474	49%	0.486	S	S	.	.	G	3₁₀ helix	trans	-68	-11.7	175.7	-61.2	-67.9	0	0	0	113.4	Y843 C868 V877 H878 R879	Y843-F881 VanDerWaalsContact CB-O 3.27Å; Y843-F881 WeakPolarHBondContact CB-O 3.39Å; Y843-F881 HydrophobicContact CD1-CB 3.83Å; Y843-F881 HydrophobicContact CD2-CB 3.94Å; Y843-F881 HydrophobicContact CE1-CB 4.07Å; Y843-F881 HydrophobicContact CE1-CG 4.3Å; Y843-F881 HydrophobicContact CE2-CB 4.19Å; Y843-F881 HydrophobicContact CE2-CD1 4.29Å; Y843-F881 HydrophobicContact CE2-CG 4.46Å; Y843-F881 HydrophobicContact CG-CB 3.77Å; C868-F881 VanDerWaalsContact SG-C 3.56Å; V877-F881 HydrophobicContact CB-CD2 4.03Å; V877-F881 HydrophobicContact CB-CE2 4.5Å; V877-F881 HydrophobicContact CG2-CB 4.19Å; V877-F881 HydrophobicContact CG2-CD2 3.85Å; V877-F881 HydrophobicContact CG2-CG 4.4Å; H878-F881 HydrophobicContact CB-CD2 4.07Å; H878-F881 HydrophobicContact CB-CE2 3.89Å; H878-F881 WeakPolarHBondContact O-CD2 3.38Å; H878-F881 PolarHBondContact O-N 3.26Å; R879-F881 PolarHBondContact O-N 3.38Å
882	C	76.8	Confident	74.6	Confident	4 Å²	4	99 Å²	99	3%	0.027	49%	0.494	C	S	.	.	S	Bend	trans	-113.1	125.7	176.8	-69.6	0	0	0	0	111.1	E844 W845 C868 R879 N880 T884	E844-C882 PolarHBondContact N-SG 2.99Å; E844-C882 PolarHBondContact O-SG 3.09Å; W845-C882 HydrophobicContact CD2-CB 4.06Å; W845-C882 HydrophobicContact CG-CB 4.27Å; W845-C882 HydrophobicContact CZ2-CB 4.08Å; C868-C882 WeakPolarHBondContact CA-SG 3.38Å; C868-C882 HydrophobicContact CB-CB 3.69Å; C868-C882 WeakPolarHBondContact CB-SG 3.39Å; C868-C882 WeakPolarHBondContact SG-CB 3.44Å; C868-C882 PolarHBondContact SG-N 3.06Å; C868-C882 CovalentContact SG-SG 2.03Å; C868-C882 PolarHBondContact SG-SG 2.95Å; R879-C882 PolarHBondContact O-N 3.1Å; N880-C882 PolarHBondContact O-N 3.19Å; C882-T884 PolarHBondContact O-N 3.17Å; C882-T884 VanDerWaalsContact O-N 3.1Å
883	E	77.2	Confident	75.1	Confident	106 Å²	106	101.2 Å²	101.2	50%	0.495	49%	0.494	S	S	.	.			trans	-49.5	116	176.2	-75.5	174.3	-117.6	0	0	112.2	W845 S885 K886	W845-E883 PolarHBondContact NE1-O 3.46Å; E883-S885 PolarHBondContact O-N 2.98Å; E883-K886 HydrophobicContact CB-CB 4.28Å; E883-K886 HydrophobicContact CB-CD 4.2Å; E883-K886 HydrophobicContact CB-CG 4.29Å; E883-K886 PolarHBondContact O-N 2.99Å; E883-K886 IonicContact OE1-NZ 3.35Å; E883-K886 PolarHBondContact OE1-NZ 3Å; E883-K886 VanDerWaalsContact OE2-CD 3.28Å; E883-K886 WeakPolarHBondContact OE2-CD 3.38Å; E883-K886 WeakPolarHBondContact OE2-CE 3.48Å; E883-K886 IonicContact OE2-NZ 3.93Å; E883-K886 PolarHBondContact OE2-NZ 3.07Å
884	T	69.4	Low	75.2	Confident	82 Å²	82	108 Å²	108	50%	0.503	52%	0.515	S	S	.	.	G	3₁₀ helix	trans	-66.6	-23.6	-176.6	-69.2	0	0	0	0	112.9	C882 K886 K887	C882-T884 PolarHBondContact O-N 3.17Å; C882-T884 VanDerWaalsContact O-N 3.1Å; T884-K886 VanDerWaalsContact C-N 3.33Å; T884-K886 PolarHBondContact O-N 3.2Å; T884-K887 VanDerWaalsContact O-CB 3.27Å; T884-K887 WeakPolarHBondContact O-CB 3.37Å; T884-K887 PolarHBondContact O-N 3.23Å
885	S	71.3	Confident	75.4	Confident	103 Å²	103	106.8 Å²	106.8	72%	0.72	50%	0.5	S	S	*	.	G	3₁₀ helix	trans	-60.9	-35.7	169.7	50.2	0	0	0	0	113.5	E883 K887	E883-S885 PolarHBondContact O-N 2.98Å; S885-K887 VanDerWaalsContact C-N 3.3Å; S885-K887 PolarHBondContact O-N 3.48Å
886	K	76.4	Confident	75.1	Confident	138 Å²	138	101.7 Å²	101.7	60%	0.6	49%	0.487	S	S	*	.	G	3₁₀ helix	trans	-88.5	10.3	-178.2	-68	176.1	179.7	153.6	0	113.5	E883 T884 P888	E883-K886 HydrophobicContact CB-CB 4.28Å; E883-K886 HydrophobicContact CB-CD 4.2Å; E883-K886 HydrophobicContact CB-CG 4.29Å; E883-K886 PolarHBondContact O-N 2.99Å; E883-K886 IonicContact OE1-NZ 3.35Å; E883-K886 PolarHBondContact OE1-NZ 3Å; E883-K886 VanDerWaalsContact OE2-CD 3.28Å; E883-K886 WeakPolarHBondContact OE2-CD 3.38Å; E883-K886 WeakPolarHBondContact OE2-CE 3.48Å; E883-K886 IonicContact OE2-NZ 3.93Å; E883-K886 PolarHBondContact OE2-NZ 3.07Å; T884-K886 VanDerWaalsContact C-N 3.33Å; T884-K886 PolarHBondContact O-N 3.2Å; K886-P888 WeakPolarHBondContact O-CD 3.49Å
887	K	79.9	Confident	74.8	Confident	93 Å²	93	102.9 Å²	102.9	40%	0.404	50%	0.497	S	S	.	.	P	Polyproline II helix	trans	-72.4	123.8	-177.1	-173.6	-177.6	178.4	-172.1	0	112.1	W845 T884 S885	W845-K887 HydrophobicContact CD2-CB 4.09Å; W845-K887 HydrophobicContact CD2-CG 3.89Å; W845-K887 HydrophobicContact CE3-CD 4.5Å; W845-K887 HydrophobicContact CE3-CG 4.01Å; W845-K887 HydrophobicContact CG-CB 4.45Å; W845-K887 HydrophobicContact CG-CG 4.5Å; W845-K887 HydrophobicContact CH2-CB 4.45Å; W845-K887 HydrophobicContact CH2-CD 3.75Å; W845-K887 HydrophobicContact CH2-CG 4Å; W845-K887 HydrophobicContact CZ2-CB 3.89Å; W845-K887 HydrophobicContact CZ2-CD 4Å; W845-K887 HydrophobicContact CZ2-CG 3.94Å; W845-K887 HydrophobicContact CZ3-CD 4.04Å; W845-K887 HydrophobicContact CZ3-CG 4.05Å; T884-K887 VanDerWaalsContact O-CB 3.27Å; T884-K887 WeakPolarHBondContact O-CB 3.37Å; T884-K887 PolarHBondContact O-N 3.23Å; S885-K887 VanDerWaalsContact C-N 3.3Å; S885-K887 PolarHBondContact O-N 3.48Å
888	P	82.5	Confident	73.7	Confident	50 Å²	50	107.6 Å²	107.6	33%	0.325	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-61.9	145.1	177.6	-23.9	34.2	0	0	0	113.6	W845 Y866 K886	W845-P888 VanDerWaalsContact CB-CD 3.49Å; W845-P888 HydrophobicContact CB-CG 4.19Å; Y866-P888 HydrophobicContact CD1-CB 4.42Å; Y866-P888 HydrophobicContact CD1-CG 4.24Å; Y866-P888 HydrophobicContact CD2-CB 4.25Å; Y866-P888 HydrophobicContact CE1-CB 4.06Å; Y866-P888 HydrophobicContact CE1-CG 4.18Å; Y866-P888 HydrophobicContact CE2-CB 3.86Å; K886-P888 WeakPolarHBondContact O-CD 3.49Å
889	K	77.5	Confident	73.1	Confident	187 Å²	187	110.8 Å²	110.8	81%	0.813	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-67.9	139.9	173.8	-68.8	-177.8	179	177.4	0	110.3	I891	K889-I891 PolarHBondContact O-N 2.96Å
890	P	76.5	Confident	72.4	Confident	87 Å²	87	107.7 Å²	107.7	57%	0.565	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-59.5	120.4	179.7	-26.1	35.4	0	0	0	113.3
891	I	82.3	Confident	72.2	Confident	98 Å²	98	104.9 Å²	104.9	50%	0.503	52%	0.518	S	S	.	.	P	Polyproline II helix	trans	-82.4	139	175.9	-57.9	173.8	0	0	0	108.2	W850 Y863 T864 Y866 K889	W850-I891 WeakPolarHBondContact CZ3-O 3.44Å; Y863-I891 CarbonylContact C-O 3.59Å; Y863-I891 WeakPolarHBondContact CA-O 3Å; T864-I891 HydrophobicContact CG2-CB 4Å; T864-I891 PolarHBondContact N-O 3.25Å; T864-I891 PolarHBondContact OG1-N 3.19Å; Y866-I891 WeakPolarHBondContact OH-CD1 3.42Å; K889-I891 PolarHBondContact O-N 2.96Å
892	R	82.8	Confident	71.7	Confident	180 Å²	180	107 Å²	107	68%	0.679	53%	0.53	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.6	136.2	176.4	68	178.9	74.5	179.4	3.7	111.4	I861 Q862 Y863	I861-R892 HydrophobicContact CG2-CB 3.93Å; Q862-R892 CarbonylContact O-C 3.52Å; Q862-R892 WeakPolarHBondContact O-CA 3.01Å; Y863-R892 HydrophobicContact CD1-CB 4.37Å; Y863-R892 HydrophobicContact CE1-CB 4.33Å
893	K	79.1	Confident	71.1	Confident	121 Å²	121	107.5 Å²	107.5	53%	0.526	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	143.7	175.5	-176.1	179.8	176.1	-178.5	0	110.1	W850 I861 Q862	W850-K893 HydrophobicContact CE3-CB 4.15Å; W850-K893 HydrophobicContact CH2-CB 3.49Å; W850-K893 VanDerWaalsContact CH2-CB 3.49Å; W850-K893 HydrophobicContact CH2-CD 4.06Å; W850-K893 HydrophobicContact CH2-CG 4.35Å; W850-K893 HydrophobicContact CZ2-CB 4.28Å; W850-K893 HydrophobicContact CZ2-CD 3.98Å; W850-K893 HydrophobicContact CZ3-CB 3.4Å; W850-K893 VanDerWaalsContact CZ3-CB 3.4Å; I861-K893 CarbonylContact C-O 3.59Å; I861-K893 WeakPolarHBondContact CA-O 3.02Å; Q862-K893 PolarHBondContact N-O 3.29Å; Q862-K893 PolarHBondContact O-N 2.89Å
894	R	76.5	Confident	70.8	Confident	206 Å²	206	105.3 Å²	105.3	78%	0.777	53%	0.533	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.5	143	171.7	-64	-169.8	-171.3	-145.5	5.5	110.6	G860	G860-R894 WeakPolarHBondContact O-CA 3.26Å
895	C	73.3	Confident	71.3	Confident	10 Å²	10	103.7 Å²	103.7	7%	0.068	52%	0.518	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	163.9	-174.4	52	0	0	0	0	110.6	C853 G860 I861 Q862 V897	C853-C895 HydrophobicContact CB-CB 3.87Å; C853-C895 WeakPolarHBondContact CB-SG 3.33Å; C853-C895 WeakPolarHBondContact SG-CB 3.44Å; C853-C895 CovalentContact SG-SG 2.02Å; C853-C895 PolarHBondContact SG-SG 3.3Å; G860-C895 PolarHBondContact N-O 2.72Å; G860-C895 PolarHBondContact O-N 2.75Å; G860-C895 PolarHBondContact O-SG 3.46Å; I861-C895 VanDerWaalsContact CA-SG 3.59Å; I861-C895 PolarHBondContact N-SG 2.02Å; I861-C895 VanDerWaalsContact N-SG 3.35Å; Q862-C895 HydrophobicContact CG-CB 4.06Å; Q862-C895 VanDerWaalsContact CG-SG 3.57Å; C895-V897 VanDerWaalsContact C-N 3.29Å; C895-V897 PolarHBondContact O-N 3.48Å
896	N	68	Low	71.6	Confident	73 Å²	73	102.6 Å²	102.6	39%	0.39	51%	0.506	S	S	.	.			trans	48.3	50.2	178.2	-60	-5.2	0	0	0	112.5	C853 K855 P856 C857 G858 G859 Q898	C853-N896 WeakPolarHBondContact CB-ND2 3.26Å; C853-N896 VanDerWaalsContact SG-CG 3.59Å; C853-N896 PolarHBondContact SG-ND2 2.86Å; K855-N896 PolarHBondContact O-ND2 2.87Å; P856-N896 PolarHBondContact O-ND2 2.96Å; C857-N896 CarbonylContact C-O 3.38Å; C857-N896 WeakPolarHBondContact CA-O 3.35Å; G858-N896 PolarHBondContact N-O 3.08Å; G859-N896 PolarHBondContact N-O 2.76Å; N896-Q898 PolarHBondContact O-N 3.41Å
897	V	66.8	Low	71.9	Confident	106 Å²	106	98.9 Å²	98.9	64%	0.642	50%	0.495	S	S	*	.			trans	-79.5	-6	-172	-152.7	0	0	0	0	112.7	C895	C895-V897 VanDerWaalsContact C-N 3.29Å; C895-V897 PolarHBondContact O-N 3.48Å
898	Q	54.9	Low	71.9	Confident	143 Å²	143	99.6 Å²	99.6	67%	0.668	50%	0.5	S	S	*	.	S	Bend	trans	-67.5	145.2	173.3	-69.2	175.2	-23.5	0	0	111	G858 N896	G858-Q898 PolarHBondContact N-O 2.85Å; N896-Q898 PolarHBondContact O-N 3.41Å
899	E	55.5	Low	71.9	Confident	185 Å²	185	104.4 Å²	104.4	86%	0.864	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-67	145.7	179	-61	-174.8	144.4	0	0	111.3
900	C	57.3	Low	72.1	Confident	63 Å²	63	98 Å²	98	43%	0.426	49%	0.494	S	S	.	.	P	Polyproline II helix	trans	-81.2	126.9	178.5	-62.1	0	0	0	0	110.2	C857	C857-C900 HydrophobicContact CB-CB 4.08Å; C857-C900 WeakPolarHBondContact CB-SG 3.17Å; C857-C900 WeakPolarHBondContact SG-CB 3.34Å; C857-C900 CovalentContact SG-SG 2.04Å; C857-C900 PolarHBondContact SG-SG 3.26Å
901	S	61.1	Low	72.2	Confident	59 Å²	59	95.7 Å²	95.7	41%	0.413	48%	0.48	S	S	.	.	P	Polyproline II helix	trans	-57.8	135.7	161.7	47.2	0	0	0	0	109.9	Q931 S932	S901-Q931 PolarHBondContact O-NE2 2.99Å; S901-S932 PolarHBondContact OG-O 3.42Å
902	Q	60	Low	72	Confident	153 Å²	153	96.6 Å²	96.6	72%	0.715	49%	0.492	S	S	*	.	P	Polyproline II helix	trans	-71.9	135	174.7	-64.5	-163.5	15.2	0	0	109.9	T947	Q902-T947 PolarHBondContact OE1-OG1 3.46Å
903	P	65.3	Low	71.8	Confident	14 Å²	14	89.8 Å²	89.8	9%	0.091	47%	0.472	C	S	.	.	P	Polyproline II helix	trans	-81	150.8	176.3	34.5	-34.5	0	0	0	111.4	M930 Q931 V941 H945 C946	P903-M930 CarbonylContact C-O 3.59Å; P903-M930 WeakPolarHBondContact CA-O 3.04Å; P903-M930 VanDerWaalsContact CB-O 3.26Å; P903-M930 WeakPolarHBondContact CB-O 3.41Å; P903-Q931 HydrophobicContact CB-CB 3.86Å; P903-Q931 HydrophobicContact CB-CG 4.12Å; P903-V941 HydrophobicContact CB-CG2 3.64Å; P903-V941 HydrophobicContact CG-CG2 4.12Å; P903-H945 HydrophobicContact CG-CB 3.85Å; P903-H945 WeakPolarHBondContact CG-O 3.38Å; P903-C946 VanDerWaalsContact C-SG 3.55Å; P903-C946 PolarHBondContact O-SG 2.9Å
904	A	69.8	Low	71.8	Confident	60 Å²	60	86.2 Å²	86.2	50%	0.496	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	155.4	-177.5	0	0	0	0	0	111.8	V906 M930 C946	A904-V906 PolarHBondContact O-N 2.77Å; A904-M930 PolarHBondContact N-O 3.37Å; A904-M930 PolarHBondContact O-N 3.25Å; A904-C946 PolarHBondContact O-SG 3.28Å; A904-C946 VanDerWaalsContact O-SG 3.4Å
905	W	80.3	Confident	71.1	Confident	49 Å²	49	82.4 Å²	82.4	19%	0.186	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	120.5	171.9	-70.2	115.4	0	0	0	110.5	V927 C929 C946 G948 R950 P951	W905-V927 HydrophobicContact CE3-CG1 3.84Å; W905-V927 HydrophobicContact CZ3-CG1 4.22Å; W905-C929 HydrophobicContact CE3-CB 4.02Å; W905-C929 HydrophobicContact CH2-CB 4.31Å; W905-C929 HydrophobicContact CZ3-CB 3.84Å; W905-C946 HydrophobicContact CD2-CB 3.99Å; W905-C946 HydrophobicContact CG-CB 4.22Å; W905-C946 HydrophobicContact CZ2-CB 4.09Å; W905-G948 PolarHBondContact NE1-O 3.21Å; W905-R950 HydrophobicContact CD2-CG 4.32Å; W905-R950 HydrophobicContact CE3-CG 4.22Å; W905-R950 HydrophobicContact CH2-CB 4.11Å; W905-R950 HydrophobicContact CH2-CG 3.62Å; W905-R950 HydrophobicContact CZ2-CB 3.71Å; W905-R950 HydrophobicContact CZ2-CG 3.73Å; W905-R950 HydrophobicContact CZ3-CG 3.88Å; W905-P951 HydrophobicContact CB-CG 3.87Å; W905-P951 HydrophobicContact CG-CG 4.25Å
906	V	78.6	Confident	70.7	Confident	79 Å²	79	88 Å²	88	48%	0.479	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	138.5	170.5	179.2	0	0	0	0	108.4	A904 Q928 M930	A904-V906 PolarHBondContact O-N 2.77Å; V906-Q928 PolarHBondContact N-O 3.21Å; V906-Q928 PolarHBondContact O-N 3.34Å; V906-M930 HydrophobicContact CB-CB 4.44Å; V906-M930 HydrophobicContact CB-CG 3.89Å; V906-M930 HydrophobicContact CG2-CB 3.76Å; V906-M930 HydrophobicContact CG2-CG 3.74Å
907	V	81.8	Confident	70.5	Confident	60 Å²	60	86.5 Å²	86.5	36%	0.364	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	141	-177.7	-58.4	0	0	0	0	110	V926 V927 P951	V907-V926 WeakPolarHBondContact CA-O 3.49Å; V907-V927 HydrophobicContact CG1-CG1 4.16Å; V907-V927 HydrophobicContact CG1-CG2 4.04Å; V907-P951 HydrophobicContact CG1-CB 3.64Å; V907-P951 HydrophobicContact CG1-CG 3.83Å
908	E	80.1	Confident	70.2	Confident	108 Å²	108	82.3 Å²	82.3	51%	0.505	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-90	173.5	169.8	-68.4	174	-160.6	0	0	110.8	R925 V926	E908-R925 WeakPolarHBondContact O-CB 3.41Å; E908-R925 WeakPolarHBondContact O-CD 3.23Å; E908-V926 HydrophobicContact CB-CB 4.11Å; E908-V926 VanDerWaalsContact CD-CB 3.48Å; E908-V926 HydrophobicContact CG-CB 4.04Å; E908-V926 HydrophobicContact CG-CG1 4.5Å; E908-V926 PolarHBondContact N-O 2.82Å; E908-V926 WeakPolarHBondContact OE2-CB 3.41Å; E908-V926 WeakPolarHBondContact OE2-CG2 3.29Å
909	D	81.9	Confident	70.6	Confident	152 Å²	152	83.1 Å²	83.1	81%	0.813	46%	0.459	S	S	*	.	P	Polyproline II helix	trans	-65.6	161.2	174.8	-77.1	-52.4	0	0	0	113.2	R925	D909-R925 VanDerWaalsContact O-CB 3.27Å; D909-R925 WeakPolarHBondContact O-CB 3.29Å
910	W	83.1	Confident	71.3	Confident	52 Å²	52	81.6 Å²	81.6	20%	0.197	46%	0.456	C	S	.	.	P	Polyproline II helix	trans	-81.4	127.8	-179.5	-70.9	101	0	0	0	112.1	Q923 R925 E952 R955	W910-Q923 HydrophobicContact CB-CB 4.21Å; W910-Q923 HydrophobicContact CD2-CB 4.4Å; W910-Q923 HydrophobicContact CE3-CB 3.79Å; W910-Q923 WeakPolarHBondContact CZ3-O 3.44Å; W910-R925 HydrophobicContact CD2-CB 4.07Å; W910-R925 HydrophobicContact CD2-CG 4.02Å; W910-R925 HydrophobicContact CE3-CB 3.85Å; W910-R925 HydrophobicContact CE3-CG 3.83Å; W910-R925 HydrophobicContact CH2-CG 3.92Å; W910-R925 HydrophobicContact CZ2-CG 4.09Å; W910-R925 VanDerWaalsContact CZ2-CZ 3.47Å; W910-R925 HydrophobicContact CZ3-CB 4.23Å; W910-R925 HydrophobicContact CZ3-CG 3.76Å; W910-E952 HydrophobicContact CH2-CB 4.41Å; W910-E952 WeakPolarHBondContact CH2-O 3.37Å; W910-R955 VanDerWaalsContact CD1-CZ 3.47Å; W910-R955 HydrophobicContact CD2-CG 4.09Å; W910-R955 HydrophobicContact CE3-CG 3.9Å; W910-R955 HydrophobicContact CH2-CB 3.71Å; W910-R955 HydrophobicContact CH2-CG 3.74Å; W910-R955 HydrophobicContact CZ2-CB 4.11Å; W910-R955 HydrophobicContact CZ2-CG 3.92Å; W910-R955 HydrophobicContact CZ3-CB 4.06Å; W910-R955 HydrophobicContact CZ3-CG 3.74Å
911	S	78.8	Confident	72	Confident	39 Å²	39	78.6 Å²	78.6	27%	0.273	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-55.8	159.3	172.3	74.4	0	0	0	0	112.4	Q923 T924	S911-Q923 WeakPolarHBondContact O-CB 3.26Å; S911-Q923 WeakPolarHBondContact O-CG 3.42Å; S911-Q923 PolarHBondContact O-NE2 2.78Å; S911-T924 VanDerWaalsContact CB-O 3.28Å; S911-T924 WeakPolarHBondContact CB-O 3.48Å; S911-T924 PolarHBondContact N-O 2.92Å; S911-T924 PolarHBondContact OG-N 2.99Å; S911-T924 PolarHBondContact OG-O 2.83Å; S911-T924 PolarHBondContact OG-OG1 3.49Å
912	P	76.3	Confident	72.8	Confident	116 Å²	116	80.2 Å²	80.2	75%	0.753	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-51.3	153.7	167.8	-27.1	36.1	0	0	0	113.1
913	C	79.8	Confident	73.7	Confident	38 Å²	38	74.5 Å²	74.5	26%	0.257	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-71.4	128.3	-176.8	-172.1	0	0	0	0	111.5	K915 Q923 C957	C913-K915 PolarHBondContact O-N 3.34Å; C913-K915 VanDerWaalsContact O-N 3.1Å; C913-K915 PolarHBondContact SG-O 2.8Å; C913-Q923 HydrophobicContact CB-CG 4.27Å; C913-C957 WeakPolarHBondContact CA-SG 3.33Å; C913-C957 HydrophobicContact CB-CB 3.96Å; C913-C957 WeakPolarHBondContact CB-SG 3.49Å; C913-C957 VanDerWaalsContact SG-C 3.58Å; C913-C957 WeakPolarHBondContact SG-CB 3.25Å; C913-C957 CovalentContact SG-SG 2.02Å; C913-C957 PolarHBondContact SG-SG 2.77Å
914	S	79.3	Confident	74.4	Confident	45 Å²	45	76.6 Å²	76.6	32%	0.315	42%	0.42	S	S	.	.	S	Bend	trans	-68.1	-8.5	-173.4	67.5	0	0	0	0	115.9	Y922	S914-Y922 VanDerWaalsContact CB-O 3.3Å; S914-Y922 WeakPolarHBondContact CB-O 3.48Å; S914-Y922 PolarHBondContact N-O 3.02Å; S914-Y922 WeakPolarHBondContact OG-CD1 3.5Å; S914-Y922 VanDerWaalsContact OG-CE1 3.22Å; S914-Y922 WeakPolarHBondContact OG-CE1 3.37Å; S914-Y922 PolarHBondContact OG-N 2.94Å; S914-Y922 PolarHBondContact OG-O 2.82Å; S914-Y922 VanDerWaalsContact OG-O 3.12Å
915	K	62.3	Low	74.9	Confident	126 Å²	126	76.2 Å²	76.2	55%	0.548	41%	0.405	S	S	.	.			trans	-143.5	144.2	173.3	-61.8	-65.1	167	-169.2	0	110.4	C913 N958	C913-K915 PolarHBondContact O-N 3.34Å; C913-K915 VanDerWaalsContact O-N 3.1Å; C913-K915 PolarHBondContact SG-O 2.8Å; K915-N958 PolarHBondContact O-ND2 3.13Å
916	T	63.5	Low	74.8	Confident	127 Å²	127	76.6 Å²	76.6	78%	0.779	41%	0.413	S	S	*	.	S	Bend	trans	-87.3	-19.4	-176.8	44.7	0	0	0	0	114.3	N958	T916-N958 PolarHBondContact O-ND2 2.96Å
917	C	64	Low	75	Confident	42 Å²	42	73 Å²	73	28%	0.284	39%	0.392	S	S	.	.	S	Bend	trans	-144.1	164.6	168.7	70.8	0	0	0	0	110.9	C962	C917-C962 HydrophobicContact CB-CB 4.16Å; C917-C962 WeakPolarHBondContact CB-SG 3.29Å; C917-C962 WeakPolarHBondContact SG-CB 2.99Å; C917-C962 CovalentContact SG-SG 2.05Å; C917-C962 PolarHBondContact SG-SG 2.93Å
918	G	61	Low	74.8	Confident	18 Å²	18	74.1 Å²	74.1	19%	0.186	39%	0.393	C	S	.	.	S	Bend	trans	85	145.2	173.2	0	0	0	0	0	114.2	L920 G921 N958 T960 C962	G918-L920 PolarHBondContact O-N 3.44Å; G918-G921 PolarHBondContact O-N 3.11Å; G918-N958 CarbonylContact C-O 3.48Å; G918-T960 WeakPolarHBondContact CA-O 3.46Å; G918-T960 PolarHBondContact N-O 3.17Å; G918-C962 PolarHBondContact N-SG 3.39Å; G918-C962 VanDerWaalsContact N-SG 3.43Å
919	K	63.5	Low	74.9	Confident	161 Å²	161	69.2 Å²	69.2	70%	0.7	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	17.7	-171.3	-52.3	179.3	-177.4	176.7	0	115.9	Y959	K919-Y959 HydrophobicContact CG-CD1 4.4Å
920	L	68.8	Low	74.3	Confident	152 Å²	152	63.9 Å²	63.9	80%	0.796	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.4	3.3	-175.9	-64.6	175.9	0	0	0	113.3	G918	G918-L920 PolarHBondContact O-N 3.44Å
921	G	72.4	Confident	73.8	Confident	1 Å²	1	62.1 Å²	62.1	1%	0.01	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	147.7	168.4	0	0	0	0	0	111.5	G918 V956 C957	G918-G921 PolarHBondContact O-N 3.11Å; G921-V956 CarbonylContact O-C 3.48Å; G921-V956 WeakPolarHBondContact O-CA 3.47Å; G921-C957 CarbonylContact C-O 3.59Å; G921-C957 VanDerWaalsContact CA-O 3.3Å; G921-C957 WeakPolarHBondContact CA-O 3.18Å; G921-C957 PolarHBondContact O-N 3.07Å
922	Y	79	Confident	72.8	Confident	92 Å²	92	63.7 Å²	63.7	36%	0.361	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	146.3	173.3	57.1	-90.1	0	0	0	112.3	S914 T924 R954 R955 C957	S914-Y922 VanDerWaalsContact CB-O 3.3Å; S914-Y922 WeakPolarHBondContact CB-O 3.48Å; S914-Y922 PolarHBondContact N-O 3.02Å; S914-Y922 WeakPolarHBondContact OG-CD1 3.5Å; S914-Y922 VanDerWaalsContact OG-CE1 3.22Å; S914-Y922 WeakPolarHBondContact OG-CE1 3.37Å; S914-Y922 PolarHBondContact OG-N 2.94Å; S914-Y922 PolarHBondContact OG-O 2.82Å; S914-Y922 VanDerWaalsContact OG-O 3.12Å; Y922-T924 HydrophobicContact CD2-CG2 4.38Å; Y922-R954 HydrophobicContact CD2-CG 4.15Å; Y922-R954 HydrophobicContact CG-CG 4.41Å; Y922-R954 VanDerWaalsContact CZ-NH2 3.32Å; Y922-R955 CarbonylContact C-O 3.55Å; Y922-R955 WeakPolarHBondContact CA-O 3.15Å; Y922-R955 WeakPolarHBondContact CB-O 3.29Å; Y922-C957 WeakPolarHBondContact CA-SG 3.19Å; Y922-C957 PolarHBondContact N-SG 3.25Å
923	Q	79.1	Confident	72.1	Confident	34 Å²	34	61 Å²	61	16%	0.159	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	154.3	166.2	-60.9	-177	-76.4	0	0	109.1	W910 S911 C913 R954 R955 C957	W910-Q923 HydrophobicContact CB-CB 4.21Å; W910-Q923 HydrophobicContact CD2-CB 4.4Å; W910-Q923 HydrophobicContact CE3-CB 3.79Å; W910-Q923 WeakPolarHBondContact CZ3-O 3.44Å; S911-Q923 WeakPolarHBondContact O-CB 3.26Å; S911-Q923 WeakPolarHBondContact O-CG 3.42Å; S911-Q923 PolarHBondContact O-NE2 2.78Å; C913-Q923 HydrophobicContact CB-CG 4.27Å; Q923-R954 VanDerWaalsContact O-CA 3.3Å; Q923-R954 WeakPolarHBondContact O-CA 3.39Å; Q923-R955 HydrophobicContact CB-CG 4.18Å; Q923-R955 PolarHBondContact N-O 3.19Å; Q923-R955 PolarHBondContact O-N 2.87Å; Q923-R955 VanDerWaalsContact OE1-CZ 3.26Å; Q923-C957 HydrophobicContact CG-CB 3.93Å
924	T	78.8	Confident	70.8	Confident	58 Å²	58	68.4 Å²	68.4	36%	0.356	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	148.5	175.1	38.6	0	0	0	0	110.8	S911 Y922 M953 R954	S911-T924 VanDerWaalsContact CB-O 3.28Å; S911-T924 WeakPolarHBondContact CB-O 3.48Å; S911-T924 PolarHBondContact N-O 2.92Å; S911-T924 PolarHBondContact OG-N 2.99Å; S911-T924 PolarHBondContact OG-O 2.83Å; S911-T924 PolarHBondContact OG-OG1 3.49Å; Y922-T924 HydrophobicContact CD2-CG2 4.38Å; T924-M953 CarbonylContact C-O 3.19Å; T924-M953 VanDerWaalsContact CA-O 3.24Å; T924-M953 WeakPolarHBondContact CA-O 3.5Å; T924-R954 HydrophobicContact CG2-CB 4.08Å; T924-R954 HydrophobicContact CG2-CG 3.9Å
925	R	79.9	Confident	69.6	Low	51 Å²	51	71.8 Å²	71.8	19%	0.192	36%	0.363	C	S	.	.			trans	-138.2	156.4	171.7	67.2	176	171.3	-178.9	-6	111.2	E908 D909 W910 V927 E952 M953	E908-R925 WeakPolarHBondContact O-CB 3.41Å; E908-R925 WeakPolarHBondContact O-CD 3.23Å; D909-R925 VanDerWaalsContact O-CB 3.27Å; D909-R925 WeakPolarHBondContact O-CB 3.29Å; W910-R925 HydrophobicContact CD2-CB 4.07Å; W910-R925 HydrophobicContact CD2-CG 4.02Å; W910-R925 HydrophobicContact CE3-CB 3.85Å; W910-R925 HydrophobicContact CE3-CG 3.83Å; W910-R925 HydrophobicContact CH2-CG 3.92Å; W910-R925 HydrophobicContact CZ2-CG 4.09Å; W910-R925 VanDerWaalsContact CZ2-CZ 3.47Å; W910-R925 HydrophobicContact CZ3-CB 4.23Å; W910-R925 HydrophobicContact CZ3-CG 3.76Å; R925-V927 HydrophobicContact CG-CG2 4.11Å; R925-E952 PolarHBondContact NE-O 2.94Å; R925-E952 PolarHBondContact NH2-O 3.09Å; R925-E952 VanDerWaalsContact NH2-O 3.08Å; R925-M953 PolarHBondContact N-O 2.96Å
926	V	78.7	Confident	69.3	Low	57 Å²	57	69.3 Å²	69.3	35%	0.345	37%	0.373	S	S	.	.			trans	-79	138.9	174.4	176.7	0	0	0	0	109.6	V907 E908 Q928	V907-V926 WeakPolarHBondContact CA-O 3.49Å; E908-V926 HydrophobicContact CB-CB 4.11Å; E908-V926 VanDerWaalsContact CD-CB 3.48Å; E908-V926 HydrophobicContact CG-CB 4.04Å; E908-V926 HydrophobicContact CG-CG1 4.5Å; E908-V926 PolarHBondContact N-O 2.82Å; E908-V926 WeakPolarHBondContact OE2-CB 3.41Å; E908-V926 WeakPolarHBondContact OE2-CG2 3.29Å; V926-Q928 HydrophobicContact CG1-CG 3.78Å
927	V	83.7	Confident	69	Low	5 Å²	5	67 Å²	67	3%	0.03	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	103.9	-178.1	-179.7	0	0	0	0	108.6	W905 V907 R925 R950 P951 M953	W905-V927 HydrophobicContact CE3-CG1 3.84Å; W905-V927 HydrophobicContact CZ3-CG1 4.22Å; V907-V927 HydrophobicContact CG1-CG1 4.16Å; V907-V927 HydrophobicContact CG1-CG2 4.04Å; R925-V927 HydrophobicContact CG-CG2 4.11Å; V927-R950 HydrophobicContact CG1-CG 3.97Å; V927-R950 PolarHBondContact O-NH2 3.31Å; V927-P951 HydrophobicContact CG1-CB 4.09Å; V927-P951 HydrophobicContact CG1-CG 4.22Å; V927-M953 HydrophobicContact CG2-CB 4.5Å
928	Q	77.9	Confident	69	Low	83 Å²	83	68.2 Å²	68.2	39%	0.388	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	147.5	-174.1	-65.2	-176.8	32.6	0	0	111.4	V906 V926 M930	V906-Q928 PolarHBondContact N-O 3.21Å; V906-Q928 PolarHBondContact O-N 3.34Å; V926-Q928 HydrophobicContact CG1-CG 3.78Å; Q928-M930 HydrophobicContact CB-CG 4.43Å; Q928-M930 HydrophobicContact CB-SD 4.4Å
929	C	80.3	Confident	69.3	Low	4 Å²	4	71.7 Å²	71.7	3%	0.027	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	116	173.9	176.5	0	0	0	0	108.5	W905 V941 C946	W905-C929 HydrophobicContact CE3-CB 4.02Å; W905-C929 HydrophobicContact CH2-CB 4.31Å; W905-C929 HydrophobicContact CZ3-CB 3.84Å; C929-V941 WeakPolarHBondContact CB-O 3.25Å; C929-V941 WeakPolarHBondContact O-CG2 3.47Å; C929-V941 PolarHBondContact O-N 3.44Å; C929-C946 WeakPolarHBondContact CA-SG 3.43Å; C929-C946 HydrophobicContact CB-CB 3.98Å; C929-C946 WeakPolarHBondContact CB-SG 3.23Å; C929-C946 WeakPolarHBondContact SG-CB 3.49Å; C929-C946 PolarHBondContact SG-N 2.72Å; C929-C946 VanDerWaalsContact SG-N 3.39Å; C929-C946 CovalentContact SG-SG 2.02Å; C929-C946 PolarHBondContact SG-SG 3.09Å
930	M	70.4	Confident	69.5	Low	40 Å²	40	67.2 Å²	67.2	20%	0.197	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	135.3	-171.6	-63.6	-64.9	-78.3	0	0	111.3	P903 A904 V906 Q928 R939 A940	P903-M930 CarbonylContact C-O 3.59Å; P903-M930 WeakPolarHBondContact CA-O 3.04Å; P903-M930 VanDerWaalsContact CB-O 3.26Å; P903-M930 WeakPolarHBondContact CB-O 3.41Å; A904-M930 PolarHBondContact N-O 3.37Å; A904-M930 PolarHBondContact O-N 3.25Å; V906-M930 HydrophobicContact CB-CB 4.44Å; V906-M930 HydrophobicContact CB-CG 3.89Å; V906-M930 HydrophobicContact CG2-CB 3.76Å; V906-M930 HydrophobicContact CG2-CG 3.74Å; Q928-M930 HydrophobicContact CB-CG 4.43Å; Q928-M930 HydrophobicContact CB-SD 4.4Å; M930-R939 CarbonylContact C-O 3.27Å; M930-R939 WeakPolarHBondContact CA-O 3.46Å; M930-A940 WeakPolarHBondContact SD-CA 3.42Å; M930-A940 HydrophobicContact SD-CB 3.85Å
931	Q	71.6	Confident	69.6	Low	15 Å²	15	61.6 Å²	61.6	7%	0.07	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	117.4	173.8	-160.6	176.5	27.5	0	0	110	S901 P903 L933 S938 R939 V941	S901-Q931 PolarHBondContact O-NE2 2.99Å; P903-Q931 HydrophobicContact CB-CB 3.86Å; P903-Q931 HydrophobicContact CB-CG 4.12Å; Q931-L933 PolarHBondContact O-N 3.43Å; Q931-S938 WeakPolarHBondContact O-CA 3Å; Q931-R939 HydrophobicContact CB-CG 4.06Å; Q931-R939 PolarHBondContact N-O 3.49Å; Q931-R939 PolarHBondContact O-N 2.78Å; Q931-R939 VanDerWaalsContact OE1-CZ 3.3Å; Q931-V941 HydrophobicContact CB-CG1 4.16Å; Q931-V941 HydrophobicContact CB-CG2 3.93Å
932	S	59.5	Low	69.3	Low	72 Å²	72	67.2 Å²	67.2	50%	0.503	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	124.7	169.7	-55.2	0	0	0	0	110.4	S901	S901-S932 PolarHBondContact OG-O 3.42Å
933	L	60.1	Low	68.7	Low	60 Å²	60	65.3 Å²	65.3	31%	0.314	37%	0.367	S	S	.	.			trans	-88.4	155.6	171.6	-56.4	168.4	0	0	0	109.1	Q931 N935 G936 T937 R939	Q931-L933 PolarHBondContact O-N 3.43Å; L933-N935 PolarHBondContact O-N 3.33Å; L933-G936 PolarHBondContact O-N 3.24Å; L933-G936 VanDerWaalsContact O-N 3.16Å; L933-T937 VanDerWaalsContact CB-O 3.23Å; L933-T937 WeakPolarHBondContact CB-O 3.21Å; L933-T937 WeakPolarHBondContact CG-O 3.02Å; L933-T937 PolarHBondContact N-O 3.15Å; L933-R939 HydrophobicContact CD1-CG 4.4Å; L933-R939 HydrophobicContact CD2-CG 4.35Å; L933-R939 HydrophobicContact CG-CG 4.36Å
934	Y	53.6	Low	67.9	Low	194 Å²	194	72.4 Å²	72.4	76%	0.761	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-19.5	-176.9	60.7	-95.1	0	0	0	114.4	G936	Y934-G936 PolarHBondContact O-N 2.53Å
935	N	53.1	Low	67.2	Low	116 Å²	116	75.3 Å²	75.3	62%	0.62	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	30.3	174.2	-74.7	-10.2	0	0	0	113.3	L933 T937	L933-N935 PolarHBondContact O-N 3.33Å; N935-T937 PolarHBondContact O-N 2.77Å; N935-T937 PolarHBondContact O-OG1 3.03Å
936	G	56.3	Low	66.9	Low	74 Å²	74	73.5 Å²	73.5	76%	0.763	40%	0.401	S	S	*	.	S	Bend	trans	62.8	10.3	178.2	0	0	0	0	0	115.7	L933 Y934	L933-G936 PolarHBondContact O-N 3.24Å; L933-G936 VanDerWaalsContact O-N 3.16Å; Y934-G936 PolarHBondContact O-N 2.53Å
937	T	57	Low	66.2	Low	77 Å²	77	75.6 Å²	75.6	47%	0.472	41%	0.414	S	S	.	.			trans	-109.1	134.1	-173.7	28.7	0	0	0	0	110	L933 N935	L933-T937 VanDerWaalsContact CB-O 3.23Å; L933-T937 WeakPolarHBondContact CB-O 3.21Å; L933-T937 WeakPolarHBondContact CG-O 3.02Å; L933-T937 PolarHBondContact N-O 3.15Å; N935-T937 PolarHBondContact O-N 2.77Å; N935-T937 PolarHBondContact O-OG1 3.03Å
938	S	64.5	Low	65.5	Low	69 Å²	69	78.1 Å²	78.1	48%	0.483	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	131.3	-175.7	-60.9	0	0	0	0	111.2	Q931	Q931-S938 WeakPolarHBondContact O-CA 3Å
939	R	66.3	Low	65.1	Low	90 Å²	90	81.8 Å²	81.8	34%	0.34	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	141.8	176.8	64.9	171.1	-176.2	-168.7	-1.1	112	M930 Q931 L933 V941	M930-R939 CarbonylContact C-O 3.27Å; M930-R939 WeakPolarHBondContact CA-O 3.46Å; Q931-R939 HydrophobicContact CB-CG 4.06Å; Q931-R939 PolarHBondContact N-O 3.49Å; Q931-R939 PolarHBondContact O-N 2.78Å; Q931-R939 VanDerWaalsContact OE1-CZ 3.3Å; L933-R939 HydrophobicContact CD1-CG 4.4Å; L933-R939 HydrophobicContact CD2-CG 4.35Å; L933-R939 HydrophobicContact CG-CG 4.36Å; R939-V941 HydrophobicContact CG-CG1 4.28Å
940	A	69.4	Low	65	Low	67 Å²	67	87.7 Å²	87.7	55%	0.554	49%	0.486	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.9	137.6	167.5	0	0	0	0	0	110.4	M930	M930-A940 WeakPolarHBondContact SD-CA 3.42Å; M930-A940 HydrophobicContact SD-CB 3.85Å
941	V	71.1	Confident	65.5	Low	35 Å²	35	87.7 Å²	87.7	21%	0.212	49%	0.489	C	S	.	.			trans	-135.9	160	176.9	-79.1	0	0	0	0	110.3	P903 C929 Q931 R939 S943	P903-V941 HydrophobicContact CB-CG2 3.64Å; P903-V941 HydrophobicContact CG-CG2 4.12Å; C929-V941 WeakPolarHBondContact CB-O 3.25Å; C929-V941 WeakPolarHBondContact O-CG2 3.47Å; C929-V941 PolarHBondContact O-N 3.44Å; Q931-V941 HydrophobicContact CB-CG1 4.16Å; Q931-V941 HydrophobicContact CB-CG2 3.93Å; R939-V941 HydrophobicContact CG-CG1 4.28Å; V941-S943 PolarHBondContact O-N 3.16Å
942	H	65.1	Low	65.5	Low	118 Å²	118	93.2 Å²	93.2	55%	0.546	51%	0.514	S	S	.	.			trans	-66.1	134.1	-174.1	-175.1	-97.4	0	0	0	112.1	K944 H945	H942-K944 PolarHBondContact O-N 3.38Å; H942-H945 PolarHBondContact O-CD2 2.88Å; H942-H945 VanDerWaalsContact O-CD2 3.3Å; H942-H945 PolarHBondContact O-N 3.15Å
943	S	66.3	Low	66.2	Low	52 Å²	52	94.4 Å²	94.4	36%	0.364	51%	0.513	S	S	.	.	G	3₁₀ helix	trans	-44.3	-30.3	-173.4	-58.4	0	0	0	0	116.6	V941 H945 C946	V941-S943 PolarHBondContact O-N 3.16Å; S943-H945 PolarHBondContact O-N 2.04Å; S943-C946 PolarHBondContact O-N 3.4Å
944	K	62.3	Low	67.1	Low	183 Å²	183	98.4 Å²	98.4	80%	0.796	52%	0.524	S	S	*	.	G	3₁₀ helix	trans	-68.1	-7.2	178.4	-68.3	-178.5	178.8	-178.3	0	114.6	H942	H942-K944 PolarHBondContact O-N 3.38Å
945	H	63.7	Low	68.4	Low	119 Å²	119	94.1 Å²	94.1	55%	0.551	51%	0.506	S	S	*	.	G	3₁₀ helix	trans	-99.5	-19	-179.7	-61.3	-60.4	0	0	0	113.9	P903 H942 S943	P903-H945 HydrophobicContact CG-CB 3.85Å; P903-H945 WeakPolarHBondContact CG-O 3.38Å; H942-H945 PolarHBondContact O-CD2 2.88Å; H942-H945 VanDerWaalsContact O-CD2 3.3Å; H942-H945 PolarHBondContact O-N 3.15Å; S943-H945 PolarHBondContact O-N 2.04Å
946	C	74.6	Confident	69.4	Low	13 Å²	13	92.4 Å²	92.4	9%	0.088	50%	0.5	C	S	.	.	S	Bend	trans	-77.4	131.3	173.1	-77.1	0	0	0	0	110.1	P903 A904 W905 C929 S943	P903-C946 VanDerWaalsContact C-SG 3.55Å; P903-C946 PolarHBondContact O-SG 2.9Å; A904-C946 PolarHBondContact O-SG 3.28Å; A904-C946 VanDerWaalsContact O-SG 3.4Å; W905-C946 HydrophobicContact CD2-CB 3.99Å; W905-C946 HydrophobicContact CG-CB 4.22Å; W905-C946 HydrophobicContact CZ2-CB 4.09Å; C929-C946 WeakPolarHBondContact CA-SG 3.43Å; C929-C946 HydrophobicContact CB-CB 3.98Å; C929-C946 WeakPolarHBondContact CB-SG 3.23Å; C929-C946 WeakPolarHBondContact SG-CB 3.49Å; C929-C946 PolarHBondContact SG-N 2.72Å; C929-C946 VanDerWaalsContact SG-N 3.39Å; C929-C946 CovalentContact SG-SG 2.02Å; C929-C946 PolarHBondContact SG-SG 3.09Å; S943-C946 PolarHBondContact O-N 3.4Å
947	T	64.2	Low	70.2	Confident	102 Å²	102	89.5 Å²	89.5	63%	0.626	47%	0.468	S	S	*	.			trans	-96.6	130.8	-177.9	-14.4	0	0	0	0	109.7	Q902	Q902-T947 PolarHBondContact OE1-OG1 3.46Å
948	G	67.8	Low	70.6	Confident	58 Å²	58	88.7 Å²	88.7	60%	0.598	46%	0.46	S	S	*	.	S	Bend	trans	103.5	158.6	-173.4	0	0	0	0	0	113.5	W905	W905-G948 PolarHBondContact NE1-O 3.21Å
949	D	69.1	Low	70.1	Confident	160 Å²	160	93.4 Å²	93.4	86%	0.856	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-60.3	139	-173.2	-66.1	-56.2	0	0	0	112.7	P951	D949-P951 VanDerWaalsContact O-CD 3.32Å; D949-P951 WeakPolarHBondContact O-CD 3.26Å
950	R	78.9	Confident	69.8	Low	128 Å²	128	92.7 Å²	92.7	48%	0.483	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-69.7	121.8	-178.5	-175.3	176.9	-170.7	-162.6	1.8	109.8	W905 V927	W905-R950 HydrophobicContact CD2-CG 4.32Å; W905-R950 HydrophobicContact CE3-CG 4.22Å; W905-R950 HydrophobicContact CH2-CB 4.11Å; W905-R950 HydrophobicContact CH2-CG 3.62Å; W905-R950 HydrophobicContact CZ2-CB 3.71Å; W905-R950 HydrophobicContact CZ2-CG 3.73Å; W905-R950 HydrophobicContact CZ3-CG 3.88Å; V927-R950 HydrophobicContact CG1-CG 3.97Å; V927-R950 PolarHBondContact O-NH2 3.31Å
951	P	80.7	Confident	69.1	Low	40 Å²	40	93.8 Å²	93.8	26%	0.26	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-55.7	145.2	177.2	-27.5	35.5	0	0	0	113	W905 V907 V927 D949 M953	W905-P951 HydrophobicContact CB-CG 3.87Å; W905-P951 HydrophobicContact CG-CG 4.25Å; V907-P951 HydrophobicContact CG1-CB 3.64Å; V907-P951 HydrophobicContact CG1-CG 3.83Å; V927-P951 HydrophobicContact CG1-CB 4.09Å; V927-P951 HydrophobicContact CG1-CG 4.22Å; D949-P951 VanDerWaalsContact O-CD 3.32Å; D949-P951 WeakPolarHBondContact O-CD 3.26Å; P951-M953 PolarHBondContact O-N 2.98Å
952	E	71.4	Confident	68.3	Low	131 Å²	131	95.1 Å²	95.1	61%	0.612	49%	0.494	S	S	*	.	P	Polyproline II helix	trans	-58.2	127.5	-178.6	-65.7	-172.9	150.4	0	0	112.2	W910 R925	W910-E952 HydrophobicContact CH2-CB 4.41Å; W910-E952 WeakPolarHBondContact CH2-O 3.37Å; R925-E952 PolarHBondContact NE-O 2.94Å; R925-E952 PolarHBondContact NH2-O 3.09Å; R925-E952 VanDerWaalsContact NH2-O 3.08Å
953	M	74.9	Confident	68	Low	97 Å²	97	94.1 Å²	94.1	48%	0.478	50%	0.498	S	S	.	.	S	Bend	trans	-81.3	-21	174.9	164.3	175.5	-89.3	0	0	112.8	T924 R925 V927 P951	T924-M953 CarbonylContact C-O 3.19Å; T924-M953 VanDerWaalsContact CA-O 3.24Å; T924-M953 WeakPolarHBondContact CA-O 3.5Å; R925-M953 PolarHBondContact N-O 2.96Å; V927-M953 HydrophobicContact CG2-CB 4.5Å; P951-M953 PolarHBondContact O-N 2.98Å
954	R	79.2	Confident	67.7	Low	144 Å²	144	93.5 Å²	93.5	54%	0.543	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	125.3	-171.1	-172.7	175.9	-180	-165.3	-0.7	110.3	Y922 Q923 T924	Y922-R954 HydrophobicContact CD2-CG 4.15Å; Y922-R954 HydrophobicContact CG-CG 4.41Å; Y922-R954 VanDerWaalsContact CZ-NH2 3.32Å; Q923-R954 VanDerWaalsContact O-CA 3.3Å; Q923-R954 WeakPolarHBondContact O-CA 3.39Å; T924-R954 HydrophobicContact CG2-CB 4.08Å; T924-R954 HydrophobicContact CG2-CG 3.9Å
955	R	79.9	Confident	67.5	Low	104 Å²	104	91.4 Å²	91.4	39%	0.392	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	154	176.3	72.6	176.5	-177.5	-172	-0.3	111.6	W910 Y922 Q923	W910-R955 VanDerWaalsContact CD1-CZ 3.47Å; W910-R955 HydrophobicContact CD2-CG 4.09Å; W910-R955 HydrophobicContact CE3-CG 3.9Å; W910-R955 HydrophobicContact CH2-CB 3.71Å; W910-R955 HydrophobicContact CH2-CG 3.74Å; W910-R955 HydrophobicContact CZ2-CB 4.11Å; W910-R955 HydrophobicContact CZ2-CG 3.92Å; W910-R955 HydrophobicContact CZ3-CB 4.06Å; W910-R955 HydrophobicContact CZ3-CG 3.74Å; Y922-R955 CarbonylContact C-O 3.55Å; Y922-R955 WeakPolarHBondContact CA-O 3.15Å; Y922-R955 WeakPolarHBondContact CB-O 3.29Å; Q923-R955 HydrophobicContact CB-CG 4.18Å; Q923-R955 PolarHBondContact N-O 3.19Å; Q923-R955 PolarHBondContact O-N 2.87Å; Q923-R955 VanDerWaalsContact OE1-CZ 3.26Å
956	V	74.6	Confident	67.7	Low	80 Å²	80	89.4 Å²	89.4	49%	0.485	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	146.1	174.2	-177	0	0	0	0	110.3	G921	G921-V956 CarbonylContact O-C 3.48Å; G921-V956 WeakPolarHBondContact O-CA 3.47Å
957	C	73.9	Confident	67	Low	12 Å²	12	97.8 Å²	97.8	8%	0.081	51%	0.506	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	160.8	177.7	60.2	0	0	0	0	111.8	C913 G921 Y922 Q923	C913-C957 WeakPolarHBondContact CA-SG 3.33Å; C913-C957 HydrophobicContact CB-CB 3.96Å; C913-C957 WeakPolarHBondContact CB-SG 3.49Å; C913-C957 VanDerWaalsContact SG-C 3.58Å; C913-C957 WeakPolarHBondContact SG-CB 3.25Å; C913-C957 CovalentContact SG-SG 2.02Å; C913-C957 PolarHBondContact SG-SG 2.77Å; G921-C957 CarbonylContact C-O 3.59Å; G921-C957 VanDerWaalsContact CA-O 3.3Å; G921-C957 WeakPolarHBondContact CA-O 3.18Å; G921-C957 PolarHBondContact O-N 3.07Å; Y922-C957 WeakPolarHBondContact CA-SG 3.19Å; Y922-C957 PolarHBondContact N-SG 3.25Å; Q923-C957 HydrophobicContact CG-CB 3.93Å
958	N	64.3	Low	67.2	Low	60 Å²	60	96.1 Å²	96.1	32%	0.321	50%	0.496	S	S	.	.			trans	59	112.8	-170.6	-84.4	-33.2	0	0	0	115.1	K915 T916 G918	K915-N958 PolarHBondContact O-ND2 3.13Å; T916-N958 PolarHBondContact O-ND2 2.96Å; G918-N958 CarbonylContact C-O 3.48Å
959	Y	55.2	Low	67	Low	169 Å²	169	95.1 Å²	95.1	66%	0.663	49%	0.485	S	S	*	.			trans	-111	8.4	176.1	-72.2	-80.4	0	0	0	113	K919	K919-Y959 HydrophobicContact CG-CD1 4.4Å
960	T	58.8	Low	67	Low	75 Å²	75	91.8 Å²	91.8	46%	0.46	48%	0.48	S	S	.	.	P	Polyproline II helix	trans	-64.9	134.5	172.8	42.7	0	0	0	0	110.8	G918	G918-T960 WeakPolarHBondContact CA-O 3.46Å; G918-T960 PolarHBondContact N-O 3.17Å
961	A	55.1	Low	66.8	Low	90 Å²	90	89 Å²	89	74%	0.744	47%	0.47	S	S	*	.	P	Polyproline II helix	trans	-68.4	138.3	170.5	0	0	0	0	0	109.8
962	C	54.2	Low	66.4	Low	62 Å²	62	89.7 Å²	89.7	42%	0.419	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-81.6	146.5	171.6	-60.9	0	0	0	0	109.9	C917 G918	C917-C962 HydrophobicContact CB-CB 4.16Å; C917-C962 WeakPolarHBondContact CB-SG 3.29Å; C917-C962 WeakPolarHBondContact SG-CB 2.99Å; C917-C962 CovalentContact SG-SG 2.05Å; C917-C962 PolarHBondContact SG-SG 2.93Å; G918-C962 PolarHBondContact N-SG 3.39Å; G918-C962 VanDerWaalsContact N-SG 3.43Å
963	P	59.7	Low	66.4	Low	98 Å²	98	91.9 Å²	91.9	64%	0.636	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-64.3	158.7	178	27.1	-35	0	0	0	112.7
964	A	58.4	Low	66.5	Low	38 Å²	38	88.3 Å²	88.3	31%	0.314	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-68.6	140.3	177.8	0	0	0	0	0	111.3	A991	A964-A991 HydrophobicContact CB-CB 4.08Å
965	Q	58.7	Low	66.2	Low	140 Å²	140	85.2 Å²	85.2	65%	0.654	47%	0.471	S	S	*	.			trans	-137.2	148	-176.6	-68.8	-179.3	-23.3	0	0	111	R967 C999	Q965-R967 PolarHBondContact O-N 3.12Å; Q965-C999 VanDerWaalsContact C-SG 3.51Å
966	W	68.6	Low	65.6	Low	76 Å²	76	82.6 Å²	82.6	29%	0.288	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	125.2	172.8	-69.6	109.3	0	0	0	111.1	V987 C989 C999 G1001 K1003 P1004	W966-V987 HydrophobicContact CE3-CG1 4.14Å; W966-C989 HydrophobicContact CE3-CB 4Å; W966-C989 HydrophobicContact CH2-CB 4.35Å; W966-C989 HydrophobicContact CZ3-CB 3.87Å; W966-C999 HydrophobicContact CD2-CB 3.91Å; W966-C999 HydrophobicContact CG-CB 4.09Å; W966-C999 HydrophobicContact CZ2-CB 4.12Å; W966-C999 PolarHBondContact NE1-O 3.34Å; W966-G1001 PolarHBondContact NE1-O 3.33Å; W966-K1003 HydrophobicContact CE3-CG 4.15Å; W966-K1003 HydrophobicContact CH2-CB 3.97Å; W966-K1003 HydrophobicContact CH2-CD 4.14Å; W966-K1003 HydrophobicContact CH2-CG 3.95Å; W966-K1003 HydrophobicContact CZ2-CB 3.93Å; W966-K1003 HydrophobicContact CZ2-CG 4.37Å; W966-K1003 HydrophobicContact CZ3-CB 4.3Å; W966-K1003 HydrophobicContact CZ3-CD 4.1Å; W966-K1003 HydrophobicContact CZ3-CG 3.82Å; W966-P1004 HydrophobicContact CB-CG 4.07Å
967	R	60.4	Low	65.3	Low	190 Å²	190	84.9 Å²	84.9	72%	0.717	48%	0.48	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.3	121.9	169.7	-72.7	-169.3	174.5	-130.4	-1.3	110.8	Q965 A988	Q965-R967 PolarHBondContact O-N 3.12Å; R967-A988 PolarHBondContact N-O 3.26Å; R967-A988 PolarHBondContact O-N 3.02Å
968	T	67.1	Low	64.9	Low	66 Å²	66	86 Å²	86	41%	0.405	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	128.4	167.9	57.5	0	0	0	0	109.5	V987 P1004	T968-V987 HydrophobicContact CG2-CG1 4.33Å; T968-V987 HydrophobicContact CG2-CG2 4.01Å; T968-P1004 HydrophobicContact CG2-CB 3.5Å; T968-P1004 HydrophobicContact CG2-CG 3.89Å
969	G	64.3	Low	65.1	Low	37 Å²	37	84.4 Å²	84.4	38%	0.381	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	178.6	162.1	0	0	0	0	0	111.7	Q986	G969-Q986 PolarHBondContact N-O 3.46Å
970	A	69.9	Low	66	Low	91 Å²	91	82.2 Å²	82.2	75%	0.752	48%	0.481	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.9	150.2	171.7	0	0	0	0	0	111.3	R985	A970-R985 WeakPolarHBondContact O-CB 3.41Å
971	W	73.1	Confident	66.6	Low	69 Å²	69	79 Å²	79	26%	0.261	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	138.8	163.2	-68.7	117.7	0	0	0	110	Q983 R985 E1005 T1006 L1008	W971-Q983 HydrophobicContact CB-CB 4.12Å; W971-Q983 HydrophobicContact CE3-CB 4.13Å; W971-R985 HydrophobicContact CD2-CB 3.96Å; W971-R985 HydrophobicContact CD2-CG 3.98Å; W971-R985 HydrophobicContact CE3-CB 3.63Å; W971-R985 HydrophobicContact CE3-CG 3.68Å; W971-R985 HydrophobicContact CG-CB 4.46Å; W971-R985 HydrophobicContact CH2-CG 3.83Å; W971-R985 HydrophobicContact CZ2-CG 4.15Å; W971-R985 VanDerWaalsContact CZ2-NE 3.31Å; W971-R985 HydrophobicContact CZ3-CB 4.02Å; W971-R985 HydrophobicContact CZ3-CG 3.59Å; W971-E1005 WeakPolarHBondContact CH2-O 3.45Å; W971-T1006 VanDerWaalsContact CZ3-C 3.49Å; W971-L1008 HydrophobicContact CD2-CB 4.2Å; W971-L1008 HydrophobicContact CD2-CD2 4.5Å; W971-L1008 HydrophobicContact CE3-CB 4.03Å; W971-L1008 HydrophobicContact CH2-CB 3.58Å; W971-L1008 HydrophobicContact CZ2-CB 3.72Å; W971-L1008 HydrophobicContact CZ2-CD2 4.31Å; W971-L1008 HydrophobicContact CZ2-CG 4.42Å; W971-L1008 HydrophobicContact CZ3-CB 3.73Å
972	S	73	Confident	67.4	Low	54 Å²	54	78 Å²	78	38%	0.378	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-60.9	167.4	168.6	71.5	0	0	0	0	110.6	Q983 Q984	S972-Q983 WeakPolarHBondContact O-CB 3.07Å; S972-Q983 WeakPolarHBondContact O-CG 3.06Å; S972-Q983 PolarHBondContact O-NE2 2.65Å; S972-Q983 WeakPolarHBondContact OG-CA 3.42Å; S972-Q984 WeakPolarHBondContact CB-O 3.43Å; S972-Q984 PolarHBondContact N-O 2.75Å; S972-Q984 PolarHBondContact OG-N 2.91Å; S972-Q984 PolarHBondContact OG-O 3.31Å
973	Q	70.3	Confident	67.9	Low	178 Å²	178	77.4 Å²	77.4	83%	0.832	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-59.2	159	162	-69.1	-177.1	-10.3	0	0	110.7
974	C	77	Confident	68.6	Low	22 Å²	22	78 Å²	78	15%	0.149	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-63.7	138	178.6	-166.1	0	0	0	0	109.6	V976 Q983 C1010 L1012	C974-V976 WeakPolarHBondContact CB-O 3.48Å; C974-V976 PolarHBondContact O-N 3.4Å; C974-V976 PolarHBondContact SG-O 2.99Å; C974-Q983 HydrophobicContact CB-CG 4.31Å; C974-C1010 WeakPolarHBondContact CA-SG 3.46Å; C974-C1010 HydrophobicContact CB-CB 3.9Å; C974-C1010 WeakPolarHBondContact CB-SG 3.28Å; C974-C1010 WeakPolarHBondContact SG-CB 3.01Å; C974-C1010 CovalentContact SG-SG 2.03Å; C974-C1010 PolarHBondContact SG-SG 2.67Å; C974-L1012 HydrophobicContact CB-CD1 3.9Å
975	S	73.5	Confident	69.2	Low	79 Å²	79	78.7 Å²	78.7	55%	0.552	43%	0.425	S	S	*	.	S	Bend	trans	-64.7	-8.3	-179.3	68	0	0	0	0	114.3	G981 I982	S975-G981 WeakPolarHBondContact OG-CA 3.24Å; S975-I982 WeakPolarHBondContact CB-O 3.43Å; S975-I982 PolarHBondContact N-O 2.85Å; S975-I982 PolarHBondContact OG-N 2.98Å
976	V	67.3	Low	69.5	Low	49 Å²	49	79.9 Å²	79.9	30%	0.297	43%	0.43	S	S	.	.	S	Bend	trans	-129.8	150.8	170.2	-55.2	0	0	0	0	108.3	C974 C978 L1012	C974-V976 WeakPolarHBondContact CB-O 3.48Å; C974-V976 PolarHBondContact O-N 3.4Å; C974-V976 PolarHBondContact SG-O 2.99Å; V976-C978 WeakPolarHBondContact CB-O 3.21Å; V976-C978 WeakPolarHBondContact CG2-O 3.17Å; V976-L1012 WeakPolarHBondContact O-CD1 3.43Å
977	T	68.8	Low	69.7	Low	128 Å²	128	77 Å²	77	79%	0.785	42%	0.421	S	S	*	.	S	Bend	trans	-84.3	-15.6	172.7	45.3	0	0	0	0	112.9	L1012	T977-L1012 WeakPolarHBondContact O-CD1 3.29Å
978	C	65.7	Low	69.7	Low	35 Å²	35	70.7 Å²	70.7	24%	0.236	41%	0.41	C	S	.	.	S	Bend	trans	-153.5	147.5	-175.5	55	0	0	0	0	110.1	V976 S1013 C1015	V976-C978 WeakPolarHBondContact CB-O 3.21Å; V976-C978 WeakPolarHBondContact CG2-O 3.17Å; C978-S1013 CarbonylContact C-O 3.54Å; C978-S1013 WeakPolarHBondContact CA-O 3.22Å; C978-S1013 WeakPolarHBondContact CB-O 3.29Å; C978-C1015 HydrophobicContact CB-CB 3.78Å; C978-C1015 WeakPolarHBondContact CB-SG 3.22Å; C978-C1015 WeakPolarHBondContact SG-CB 3.28Å; C978-C1015 CovalentContact SG-SG 2.03Å; C978-C1015 PolarHBondContact SG-SG 2.77Å
979	G	67.2	Low	69.6	Low	26 Å²	26	69.8 Å²	69.8	27%	0.268	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	73.8	-156.2	-171.4	0	0	0	0	0	113.6	L1012 S1013	G979-L1012 WeakPolarHBondContact CA-O 3.38Å; G979-L1012 PolarHBondContact N-O 3.25Å; G979-L1012 PolarHBondContact O-N 3.07Å; G979-S1013 PolarHBondContact N-O 3.36Å
980	E	75.4	Confident	69.4	Low	123 Å²	123	75.7 Å²	75.7	58%	0.575	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.9	133.5	-176.8	-52.4	-161.3	-165.6	0	0	112.8	K1011	E980-K1011 HydrophobicContact CB-CG 4.42Å; E980-K1011 HydrophobicContact CG-CB 4.39Å; E980-K1011 HydrophobicContact CG-CD 3.87Å; E980-K1011 HydrophobicContact CG-CG 3.85Å; E980-K1011 WeakPolarHBondContact OE1-CE 3.41Å; E980-K1011 IonicContact OE1-NZ 2.6Å; E980-K1011 PolarHBondContact OE1-NZ 3.41Å; E980-K1011 WeakPolarHBondContact OE2-CE 3.12Å; E980-K1011 IonicContact OE2-NZ 2.68Å; E980-K1011 PolarHBondContact OE2-NZ 2.78Å
981	G	70.8	Confident	68.7	Low	9 Å²	9	73.6 Å²	73.6	9%	0.093	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	-163	174.9	0	0	0	0	0	112.3	S975 I1009 C1010	S975-G981 WeakPolarHBondContact OG-CA 3.24Å; G981-I1009 WeakPolarHBondContact O-CA 3.46Å; G981-I1009 WeakPolarHBondContact O-CG2 3.41Å; G981-C1010 PolarHBondContact N-O 2.74Å; G981-C1010 PolarHBondContact O-N 2.68Å; G981-C1010 VanDerWaalsContact O-O 3.13Å; G981-C1010 PolarHBondContact O-SG 3.38Å; G981-C1010 VanDerWaalsContact O-SG 3.38Å
982	I	71.4	Confident	67.8	Low	69 Å²	69	75 Å²	75	35%	0.354	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	142.8	-179.4	41	173.9	0	0	0	112	S975 V1007 L1008 I1009 C1010	S975-I982 WeakPolarHBondContact CB-O 3.43Å; S975-I982 PolarHBondContact N-O 2.85Å; S975-I982 PolarHBondContact OG-N 2.98Å; I982-V1007 HydrophobicContact CB-CG1 4.03Å; I982-V1007 HydrophobicContact CD1-CG1 4.41Å; I982-V1007 HydrophobicContact CG2-CG1 3.96Å; I982-L1008 CarbonylContact C-O 3.31Å; I982-L1008 WeakPolarHBondContact CA-O 3.13Å; I982-I1009 HydrophobicContact CG2-CG1 3.88Å; I982-C1010 VanDerWaalsContact C-SG 3.59Å; I982-C1010 PolarHBondContact N-SG 2.94Å; I982-C1010 VanDerWaalsContact N-SG 3.4Å
983	Q	66.3	Low	66.7	Low	49 Å²	49	79.1 Å²	79.1	23%	0.229	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	146.4	166.8	-62.8	-175.5	-20.1	0	0	109.2	W971 S972 C974 V1007 L1008 C1010	W971-Q983 HydrophobicContact CB-CB 4.12Å; W971-Q983 HydrophobicContact CE3-CB 4.13Å; S972-Q983 WeakPolarHBondContact O-CB 3.07Å; S972-Q983 WeakPolarHBondContact O-CG 3.06Å; S972-Q983 PolarHBondContact O-NE2 2.65Å; S972-Q983 WeakPolarHBondContact OG-CA 3.42Å; C974-Q983 HydrophobicContact CB-CG 4.31Å; Q983-V1007 CarbonylContact O-C 3.52Å; Q983-V1007 WeakPolarHBondContact O-CA 3.41Å; Q983-L1008 PolarHBondContact N-O 2.57Å; Q983-L1008 PolarHBondContact O-N 3.03Å; Q983-C1010 HydrophobicContact CG-CB 4.07Å
984	Q	73.9	Confident	65.6	Low	111 Å²	111	76.3 Å²	76.3	52%	0.519	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	141.6	176.5	-57.6	-164.9	-9.7	0	0	110.7	S972 T1006 V1007	S972-Q984 WeakPolarHBondContact CB-O 3.43Å; S972-Q984 PolarHBondContact N-O 2.75Å; S972-Q984 PolarHBondContact OG-N 2.91Å; S972-Q984 PolarHBondContact OG-O 3.31Å; Q984-T1006 CarbonylContact C-O 3.3Å; Q984-T1006 VanDerWaalsContact CA-O 3.23Å; Q984-T1006 WeakPolarHBondContact CA-O 3.26Å; Q984-V1007 HydrophobicContact CG-CG1 4.26Å; Q984-V1007 HydrophobicContact CG-CG2 4.07Å
985	R	71.3	Confident	64.3	Low	51 Å²	51	80 Å²	80	19%	0.192	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	141.8	174.5	70.6	-177.1	174.3	-167.6	-12.6	111.7	A970 W971 V987 E1005 T1006	A970-R985 WeakPolarHBondContact O-CB 3.41Å; W971-R985 HydrophobicContact CD2-CB 3.96Å; W971-R985 HydrophobicContact CD2-CG 3.98Å; W971-R985 HydrophobicContact CE3-CB 3.63Å; W971-R985 HydrophobicContact CE3-CG 3.68Å; W971-R985 HydrophobicContact CG-CB 4.46Å; W971-R985 HydrophobicContact CH2-CG 3.83Å; W971-R985 HydrophobicContact CZ2-CG 4.15Å; W971-R985 VanDerWaalsContact CZ2-NE 3.31Å; W971-R985 HydrophobicContact CZ3-CB 4.02Å; W971-R985 HydrophobicContact CZ3-CG 3.59Å; R985-V987 HydrophobicContact CG-CG2 3.89Å; R985-E1005 VanDerWaalsContact CZ-O 3.3Å; R985-E1005 PolarHBondContact NE-O 3.11Å; R985-E1005 PolarHBondContact NH2-O 2.66Å; R985-T1006 PolarHBondContact N-O 3.19Å
986	Q	64.9	Low	62.9	Low	166 Å²	166	82.3 Å²	82.3	78%	0.776	48%	0.484	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68	136	168.6	-66	-61.3	-25.8	0	0	109.6	G969	G969-Q986 PolarHBondContact N-O 3.46Å
987	V	72.7	Confident	62.2	Low	15 Å²	15	86.7 Å²	86.7	9%	0.091	51%	0.511	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	112	178.2	-179.4	0	0	0	0	108.7	W966 T968 R985 K1003 P1004 T1006	W966-V987 HydrophobicContact CE3-CG1 4.14Å; T968-V987 HydrophobicContact CG2-CG1 4.33Å; T968-V987 HydrophobicContact CG2-CG2 4.01Å; R985-V987 HydrophobicContact CG-CG2 3.89Å; V987-K1003 HydrophobicContact CG1-CG 4.07Å; V987-P1004 HydrophobicContact CG1-CB 4.18Å; V987-P1004 HydrophobicContact CG1-CG 4.26Å; V987-T1006 HydrophobicContact CB-CG2 3.92Å; V987-T1006 HydrophobicContact CG2-CG2 3.67Å
988	A	60.4	Low	61.5	Low	58 Å²	58	89 Å²	89	48%	0.479	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	130.3	-171.7	0	0	0	0	0	111.1	R967	R967-A988 PolarHBondContact N-O 3.26Å; R967-A988 PolarHBondContact O-N 3.02Å
989	C	64.9	Low	61.2	Low	47 Å²	47	87.8 Å²	87.8	32%	0.318	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	131.9	160.7	178	0	0	0	0	108.1	W966 C999	W966-C989 HydrophobicContact CE3-CB 4Å; W966-C989 HydrophobicContact CH2-CB 4.35Å; W966-C989 HydrophobicContact CZ3-CB 3.87Å; C989-C999 VanDerWaalsContact CA-SG 3.51Å; C989-C999 HydrophobicContact CB-CB 3.78Å; C989-C999 WeakPolarHBondContact CB-SG 3.2Å; C989-C999 WeakPolarHBondContact SG-CB 2.99Å; C989-C999 PolarHBondContact SG-N 3.03Å; C989-C999 CovalentContact SG-SG 2.03Å; C989-C999 PolarHBondContact SG-SG 3.28Å
990	K	59.5	Low	60.7	Low	160 Å²	160	95.3 Å²	95.3	70%	0.696	53%	0.533	S	S	*	.			trans	-134	93.2	176.3	-170.5	170.5	-176.7	174.7	0	111.5
991	A	55.7	Low	60	Low	47 Å²	47	92.3 Å²	92.3	39%	0.388	54%	0.535	S	S	.	.			trans	-64.1	154.1	157.6	0	0	0	0	0	110.2	A964	A964-A991 HydrophobicContact CB-CB 4.08Å
992	S	54.7	Low	59.5	Low	100 Å²	100	100.2 Å²	100.2	70%	0.699	57%	0.57	S	S	*	*	S	Bend	trans	-88	-23.4	-175.5	60	0	0	0	0	114.6
993	D	49.3	Very low	59.3	Low	140 Å²	140	102.9 Å²	102.9	75%	0.749	58%	0.578	S	S	*	*	S	Bend	trans	-144.4	172.2	179.1	-82.1	-64.8	0	0	0	110.7
994	S	47.8	Very low	59.5	Low	119 Å²	119	102.4 Å²	102.4	83%	0.832	58%	0.58	S	S	*	*	S	Bend	trans	-64.8	139.4	-158.6	-53.2	0	0	0	0	116.9
995	A	47.9	Very low	59.1	Low	98 Å²	98	103.7 Å²	103.7	81%	0.81	59%	0.586	S	S	*	*			trans	64.7	82.2	158.6	0	0	0	0	0	118.7
996	V	44.8	Very low	58.9	Low	128 Å²	128	104 Å²	104	78%	0.776	59%	0.594	S	S	*	*				-158.4	151.8	115.2	145	0	0	0	0	107.5
997	T	52.8	Low	59.1	Low	141 Å²	141	99.1 Å²	99.1	87%	0.865	58%	0.575	S	S	*	*			trans	-105.2	12.5	-149.1	-13.4	0	0	0	0	117.4
998	E	54	Low	58.9	Low	176 Å²	176	101.9 Å²	101.9	82%	0.822	59%	0.589	S	S	*	*			trans	-129.1	144.8	-178.4	-79.1	175.9	136.5	0	0	113.5
999	C	58.8	Low	59.3	Low	10 Å²	10	103.9 Å²	103.9	7%	0.068	59%	0.59	C	S	.	*			trans	-105.6	132.9	168.1	-83	0	0	0	0	108.3	Q965 W966 C989	Q965-C999 VanDerWaalsContact C-SG 3.51Å; W966-C999 HydrophobicContact CD2-CB 3.91Å; W966-C999 HydrophobicContact CG-CB 4.09Å; W966-C999 HydrophobicContact CZ2-CB 4.12Å; W966-C999 PolarHBondContact NE1-O 3.34Å; C989-C999 VanDerWaalsContact CA-SG 3.51Å; C989-C999 HydrophobicContact CB-CB 3.78Å; C989-C999 WeakPolarHBondContact CB-SG 3.2Å; C989-C999 WeakPolarHBondContact SG-CB 2.99Å; C989-C999 PolarHBondContact SG-N 3.03Å; C989-C999 CovalentContact SG-SG 2.03Å; C989-C999 PolarHBondContact SG-SG 3.28Å
1000	E	57.8	Low	59.6	Low	185 Å²	185	102.4 Å²	102.4	86%	0.864	58%	0.58	S	S	*	*	S	Bend	trans	-67.4	147	177.7	-64.2	-174	134.1	0	0	112.4
1001	G	61.2	Low	59.9	Low	60 Å²	60	101.4 Å²	101.4	62%	0.619	58%	0.576	S	S	*	*	S	Bend	trans	95.5	159.1	-176.7	0	0	0	0	0	114	W966	W966-G1001 PolarHBondContact NE1-O 3.33Å
1002	E	58.8	Low	60.3	Low	175 Å²	175	103.1 Å²	103.1	82%	0.818	58%	0.578	S	S	*	*	P	Polyproline II helix	trans	-62.2	136.6	177.7	-70.6	-162.7	131.3	0	0	111.4	P1004	E1002-P1004 VanDerWaalsContact O-CD 3.26Å; E1002-P1004 WeakPolarHBondContact O-CD 3.28Å
1003	K	67.4	Low	60.7	Low	124 Å²	124	102.8 Å²	102.8	54%	0.539	58%	0.576	S	S	.	*	P	Polyproline II helix	trans	-63.4	119.9	177.9	-180	179.6	177.3	-178.2	0	110	W966 V987	W966-K1003 HydrophobicContact CE3-CG 4.15Å; W966-K1003 HydrophobicContact CH2-CB 3.97Å; W966-K1003 HydrophobicContact CH2-CD 4.14Å; W966-K1003 HydrophobicContact CH2-CG 3.95Å; W966-K1003 HydrophobicContact CZ2-CB 3.93Å; W966-K1003 HydrophobicContact CZ2-CG 4.37Å; W966-K1003 HydrophobicContact CZ3-CB 4.3Å; W966-K1003 HydrophobicContact CZ3-CD 4.1Å; W966-K1003 HydrophobicContact CZ3-CG 3.82Å; V987-K1003 HydrophobicContact CG1-CG 4.07Å
1004	P	70.5	Confident	61	Low	40 Å²	40	101.9 Å²	101.9	26%	0.26	58%	0.578	S	S	.	*	P	Polyproline II helix	trans	-57.7	146.5	179.5	-27.4	35	0	0	0	113.7	W966 T968 V987 E1002	W966-P1004 HydrophobicContact CB-CG 4.07Å; T968-P1004 HydrophobicContact CG2-CB 3.5Å; T968-P1004 HydrophobicContact CG2-CG 3.89Å; V987-P1004 HydrophobicContact CG1-CB 4.18Å; V987-P1004 HydrophobicContact CG1-CG 4.26Å; E1002-P1004 VanDerWaalsContact O-CD 3.26Å; E1002-P1004 WeakPolarHBondContact O-CD 3.28Å
1005	E	65.9	Low	61	Low	137 Å²	137	100.5 Å²	100.5	64%	0.64	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-56.8	140.6	-176.7	-62.5	-172.8	137	0	0	113	W971 R985	W971-E1005 WeakPolarHBondContact CH2-O 3.45Å; R985-E1005 VanDerWaalsContact CZ-O 3.3Å; R985-E1005 PolarHBondContact NE-O 3.11Å; R985-E1005 PolarHBondContact NH2-O 2.66Å
1006	T	67.9	Low	60.9	Low	59 Å²	59	101.5 Å²	101.5	36%	0.362	57%	0.568	S	S	.	*	S	Bend	trans	-105.4	-6.6	-176.6	50.7	0	0	0	0	114.1	W971 Q984 R985 V987	W971-T1006 VanDerWaalsContact CZ3-C 3.49Å; Q984-T1006 CarbonylContact C-O 3.3Å; Q984-T1006 VanDerWaalsContact CA-O 3.23Å; Q984-T1006 WeakPolarHBondContact CA-O 3.26Å; R985-T1006 PolarHBondContact N-O 3.19Å; V987-T1006 HydrophobicContact CB-CG2 3.92Å; V987-T1006 HydrophobicContact CG2-CG2 3.67Å
1007	V	68.1	Low	60.7	Low	62 Å²	62	101.9 Å²	101.9	38%	0.376	57%	0.566	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-136.9	135.9	178.6	-171.3	0	0	0	0	109.8	I982 Q983 Q984	I982-V1007 HydrophobicContact CB-CG1 4.03Å; I982-V1007 HydrophobicContact CD1-CG1 4.41Å; I982-V1007 HydrophobicContact CG2-CG1 3.96Å; Q983-V1007 CarbonylContact O-C 3.52Å; Q983-V1007 WeakPolarHBondContact O-CA 3.41Å; Q984-V1007 HydrophobicContact CG-CG1 4.26Å; Q984-V1007 HydrophobicContact CG-CG2 4.07Å
1008	L	67.9	Low	60.2	Low	74 Å²	74	101.9 Å²	101.9	39%	0.387	56%	0.561	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-133.2	140.5	177.6	-173.7	76.7	0	0	0	109.5	W971 I982 Q983	W971-L1008 HydrophobicContact CD2-CB 4.2Å; W971-L1008 HydrophobicContact CD2-CD2 4.5Å; W971-L1008 HydrophobicContact CE3-CB 4.03Å; W971-L1008 HydrophobicContact CH2-CB 3.58Å; W971-L1008 HydrophobicContact CZ2-CB 3.72Å; W971-L1008 HydrophobicContact CZ2-CD2 4.31Å; W971-L1008 HydrophobicContact CZ2-CG 4.42Å; W971-L1008 HydrophobicContact CZ3-CB 3.73Å; I982-L1008 CarbonylContact C-O 3.31Å; I982-L1008 WeakPolarHBondContact CA-O 3.13Å; Q983-L1008 PolarHBondContact N-O 2.57Å; Q983-L1008 PolarHBondContact O-N 3.03Å
1009	I	69.9	Low	59.3	Low	99 Å²	99	98.1 Å²	98.1	51%	0.508	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-82.6	132.3	176	-61.2	174.1	0	0	0	109.6	G981 I982	G981-I1009 WeakPolarHBondContact O-CA 3.46Å; G981-I1009 WeakPolarHBondContact O-CG2 3.41Å; I982-I1009 HydrophobicContact CG2-CG1 3.88Å
1010	C	70.1	Confident	58.2	Low	16 Å²	16	103 Å²	103	11%	0.108	58%	0.583	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-117	139.9	176.6	47.1	0	0	0	0	109.4	C974 G981 I982 Q983	C974-C1010 WeakPolarHBondContact CA-SG 3.46Å; C974-C1010 HydrophobicContact CB-CB 3.9Å; C974-C1010 WeakPolarHBondContact CB-SG 3.28Å; C974-C1010 WeakPolarHBondContact SG-CB 3.01Å; C974-C1010 CovalentContact SG-SG 2.03Å; C974-C1010 PolarHBondContact SG-SG 2.67Å; G981-C1010 PolarHBondContact N-O 2.74Å; G981-C1010 PolarHBondContact O-N 2.68Å; G981-C1010 VanDerWaalsContact O-O 3.13Å; G981-C1010 PolarHBondContact O-SG 3.38Å; G981-C1010 VanDerWaalsContact O-SG 3.38Å; I982-C1010 VanDerWaalsContact C-SG 3.59Å; I982-C1010 PolarHBondContact N-SG 2.94Å; I982-C1010 VanDerWaalsContact N-SG 3.4Å; Q983-C1010 HydrophobicContact CG-CB 4.07Å
1011	K	65.6	Low	57.2	Low	139 Å²	139	101.1 Å²	101.1	60%	0.604	58%	0.576	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-123.8	124.2	175.3	-52	-165.6	-177.7	-154	0	108.8	E980	E980-K1011 HydrophobicContact CB-CG 4.42Å; E980-K1011 HydrophobicContact CG-CB 4.39Å; E980-K1011 HydrophobicContact CG-CD 3.87Å; E980-K1011 HydrophobicContact CG-CG 3.85Å; E980-K1011 WeakPolarHBondContact OE1-CE 3.41Å; E980-K1011 IonicContact OE1-NZ 2.6Å; E980-K1011 PolarHBondContact OE1-NZ 3.41Å; E980-K1011 WeakPolarHBondContact OE2-CE 3.12Å; E980-K1011 IonicContact OE2-NZ 2.68Å; E980-K1011 PolarHBondContact OE2-NZ 2.78Å
1012	L	64.4	Low	55.8	Low	83 Å²	83	105.4 Å²	105.4	44%	0.435	58%	0.582	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-119.1	167.1	178.8	-63.9	178.1	0	0	0	109.7	C974 V976 T977 G979	C974-L1012 HydrophobicContact CB-CD1 3.9Å; V976-L1012 WeakPolarHBondContact O-CD1 3.43Å; T977-L1012 WeakPolarHBondContact O-CD1 3.29Å; G979-L1012 WeakPolarHBondContact CA-O 3.38Å; G979-L1012 PolarHBondContact N-O 3.25Å; G979-L1012 PolarHBondContact O-N 3.07Å
1013	S	64.1	Low	54.5	Low	93 Å²	93	103.7 Å²	103.7	65%	0.65	58%	0.578	S	S	*	*	P	Polyproline II helix	trans	-49.9	149.9	-179.2	-45.2	0	0	0	0	112.9	C978 G979	C978-S1013 CarbonylContact C-O 3.54Å; C978-S1013 WeakPolarHBondContact CA-O 3.22Å; C978-S1013 WeakPolarHBondContact CB-O 3.29Å; G979-S1013 PolarHBondContact N-O 3.36Å
1014	P	54.8	Low	52.7	Low	122 Å²	122	105.1 Å²	105.1	79%	0.792	59%	0.592	S	S	*	*	P	Polyproline II helix	trans	-62	144.5	168.8	-20.8	33.5	0	0	0	112
1015	C	48.8	Very low	50.7	Low	89 Å²	89	107 Å²	107	60%	0.601	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-79.5	147.6	177.9	-98.4	0	0	0	0	113.1	C978	C978-C1015 HydrophobicContact CB-CB 3.78Å; C978-C1015 WeakPolarHBondContact CB-SG 3.22Å; C978-C1015 WeakPolarHBondContact SG-CB 3.28Å; C978-C1015 CovalentContact SG-SG 2.03Å; C978-C1015 PolarHBondContact SG-SG 2.77Å
1016	S	44.8	Very low	48.9	Very low	120 Å²	120	106.3 Å²	106.3	84%	0.839	62%	0.616	S	S	*	*			trans	-156.6	162.1	156.7	-158.7	0	0	0	0	109.1
1017	D	40.8	Very low	46.9	Very low	135 Å²	135	111.3 Å²	111.3	72%	0.722	63%	0.633	S	S	*	*			trans	-103.2	139.1	-140	-79.8	-52.1	0	0	0	120.1
1018	N	41.5	Very low	45.2	Very low	142 Å²	142	117 Å²	117	76%	0.759	66%	0.655	S	S	*	*			trans	62.9	151.1	143.1	-66.2	-43.3	0	0	0	121.9
1019	S	36.6	Very low	43.3	Very low	96 Å²	96	117.3 Å²	117.3	67%	0.671	68%	0.676	S	S	*	*			cis	176.9	159.8	-11.2	53	0	0	0	0	110.5
1020	T	35.8	Very low	41.4	Very low	112 Å²	112	117.6 Å²	117.6	69%	0.687	69%	0.693	S	S	*	*			cis	-175.3	164.3	-19.8	36	0	0	0	0	110.9
1021	M	35.8	Very low	39.6	Very low	147 Å²	147	122.2 Å²	122.2	72%	0.724	73%	0.726	S	S	*	*			trans	78	167.8	165.7	-41.1	-47.9	-177	0	0	118
1022	M	32.3	Very low	37.8	Very low	150 Å²	150	124.9 Å²	124.9	74%	0.739	74%	0.74	S	S	*	*			cis	-153.8	-145.9	12.7	-150.6	150.2	-173.6	0	0	115.6
1023	D	31.5	Very low	36.4	Very low	138 Å²	138	126.3 Å²	126.3	74%	0.738	76%	0.757	S	S	*	*			trans	-129.3	174.7	-152.6	-46.6	-54.1	0	0	0	113.3
1024	D	29.4	Very low	34.8	Very low	155 Å²	155	127.8 Å²	127.8	83%	0.829	77%	0.765	S	S	*	*			cis	-172.8	-177.8	-18.4	171.2	46.5	0	0	0	109.8
1025	A	27.9	Very low	33.5	Very low	79 Å²	79	132.2 Å²	132.2	65%	0.653	77%	0.772	S	S	*	*			trans	94.7	151.8	151.8	0	0	0	0	0	121.8
1026	V	28.3	Very low	32.5	Very low	123 Å²	123	136.1 Å²	136.1	75%	0.745	78%	0.781	S	S	*	*			cis	-170.1	156	-29.3	75.1	0	0	0	0	114.3
1027	F	26.6	Very low	31.5	Very low	164 Å²	164	139.4 Å²	139.4	72%	0.719	78%	0.78	S	S	*	*			trans	65	127.2	157.6	-89.3	-61.5	0	0	0	126.9
1028	H	31.7	Very low	31	Very low	181 Å²	181	138.8 Å²	138.8	84%	0.838	78%	0.776	S	S	*	*			trans	67.6	130.3	146.9	-72.1	-44.1	0	0	0	124.9
1029	G	28.2	Very low	30.4	Very low	81 Å²	81	136 Å²	136	84%	0.835	77%	0.768	S	S	*	*			trans	160.7	168.9	161.8	0	0	0	0	0	118.3
1030	A	29.5	Very low	30.3	Very low	104 Å²	104	134.5 Å²	134.5	86%	0.86	76%	0.758	S	S	*	*			trans	-165.6	-177.5	175.9	0	0	0	0	0	110.7
1031	S	34	Very low	30.2	Very low	114 Å²	114	136 Å²	136	80%	0.797	76%	0.761	S	S	*	*			cis	-163.5	179.2	5.8	-155.9	0	0	0	0	112.8
1032	E	26.4	Very low	30.5	Very low	195 Å²	195	134.8 Å²	134.8	91%	0.911	75%	0.754	S	S	*	*			trans	58.4	164.2	176.7	-75.9	-161.7	167.5	0	0	119
1033	S	34.8	Very low	31.3	Very low	112 Å²	112	132.4 Å²	132.4	78%	0.783	75%	0.749	S	S	*	*			trans	-115.2	145.5	-154	66.2	0	0	0	0	116.8
1034	P	30.3	Very low	32.3	Very low	125 Å²	125	128.8 Å²	128.8	81%	0.812	73%	0.734	S	S	*	*				-142.3	-172.7	114.9	39.4	-26.1	0	0	0	114.7	Q1036	P1034-Q1036 PolarHBondContact O-N 2.99Å; P1034-Q1036 VanDerWaalsContact O-N 3.12Å
1035	F	28	Very low	33.3	Very low	215 Å²	215	128.4 Å²	128.4	94%	0.943	73%	0.731	S	S	*	*	S	Bend	trans	-59.9	104.6	-175.6	-86.6	-97.4	0	0	0	115
1036	Q	27.5	Very low	34.8	Very low	170 Å²	170	125.4 Å²	125.4	79%	0.794	71%	0.708	S	S	*	*				177.9	155.3	111	-95.4	-172.1	15.5	0	0	111.8	P1034	P1034-Q1036 PolarHBondContact O-N 2.99Å; P1034-Q1036 VanDerWaalsContact O-N 3.12Å
1037	K	24.9	Very low	36.3	Very low	189 Å²	189	121.5 Å²	121.5	82%	0.822	68%	0.683	S	S	*	*			trans	72.5	108.6	172.8	-61	178.5	-179.2	178.6	0	118.2
1038	L	29.1	Very low	37.7	Very low	123 Å²	123	119.6 Å²	119.6	64%	0.644	67%	0.674	S	S	*	*			trans	24	134.3	148.3	-82.1	64.9	0	0	0	122.6	P1064	L1038-P1064 HydrophobicContact CD2-CG 3.81Å; L1038-P1064 HydrophobicContact CG-CG 3.85Å
1039	S	29.4	Very low	38.9	Very low	82 Å²	82	112.8 Å²	112.8	57%	0.573	65%	0.647	S	S	*	*			trans	65.4	162.1	144.2	-81.3	0	0	0	0	118.9
1040	S	34.6	Very low	40.3	Very low	66 Å²	66	115.5 Å²	115.5	46%	0.462	64%	0.641	S	S	.	*			cis	-168.8	156.7	-29.4	49.8	0	0	0	0	108.8
1041	N	34.1	Very low	41.2	Very low	143 Å²	143	116.3 Å²	116.3	77%	0.765	63%	0.626	S	S	*	*			trans	179.2	92.6	137.9	-91.8	-15.9	0	0	0	112.6
1042	E	43	Very low	42.1	Very low	122 Å²	122	111 Å²	111	57%	0.57	59%	0.589	S	S	*	*	S	Bend	trans	-79.3	146.8	131.6	-79.3	175.4	93.4	0	0	106.8	K1068	E1042-K1068 WeakPolarHBondContact OE2-CE 2.86Å; E1042-K1068 IonicContact OE2-NZ 2.63Å; E1042-K1068 PolarHBondContact OE2-NZ 2.89Å
1043	P	49.1	Very low	43.5	Very low	99 Å²	99	109.5 Å²	109.5	64%	0.643	58%	0.581	S	S	*	*			trans	-65.2	146.2	179.6	27.1	-34.5	0	0	0	112.5	L1045	P1043-L1045 PolarHBondContact O-N 3.28Å; P1043-L1045 VanDerWaalsContact O-N 3.12Å
1044	C	52.3	Low	44.5	Very low	62 Å²	62	108.8 Å²	108.8	42%	0.419	57%	0.567	S	S	.	*			trans	-72.8	98.6	179.8	-155.8	0	0	0	0	110.9	G1046 C1071	C1044-G1046 PolarHBondContact O-N 2.81Å; C1044-C1071 WeakPolarHBondContact CA-SG 3.34Å; C1044-C1071 HydrophobicContact CB-CB 4.33Å; C1044-C1071 WeakPolarHBondContact CB-SG 3.09Å; C1044-C1071 WeakPolarHBondContact SG-CB 3.34Å; C1044-C1071 CovalentContact SG-SG 2.03Å; C1044-C1071 PolarHBondContact SG-SG 3.44Å
1045	L	50.7	Low	45.4	Very low	147 Å²	147	109.7 Å²	109.7	77%	0.77	56%	0.56	S	S	*	*			trans	-90.3	31.8	179.7	-66	173.1	0	0	0	113	P1043	P1043-L1045 PolarHBondContact O-N 3.28Å; P1043-L1045 VanDerWaalsContact O-N 3.12Å
1046	G	59.2	Low	46.4	Very low	16 Å²	16	103.9 Å²	103.9	17%	0.165	54%	0.542	C	S	.	.	S	Bend	trans	81.8	175.1	-173.5	0	0	0	0	0	114.2	C1044 K1048	C1044-G1046 PolarHBondContact O-N 2.81Å; G1046-K1048 PolarHBondContact O-N 2.74Å
1047	D	59.6	Low	47.1	Very low	41 Å²	41	97.9 Å²	97.9	22%	0.219	52%	0.515	C	S	.	.			trans	-70.9	120.7	176.4	-72.6	-21.4	0	0	0	111.5	S1049 C1052 L1069 C1070 C1071 E1072 S1073	D1047-S1049 VanDerWaalsContact C-N 3.3Å; D1047-S1049 PolarHBondContact O-N 2.8Å; D1047-C1052 HydrophobicContact CB-CB 3.81Å; D1047-C1052 VanDerWaalsContact CG-CB 3.46Å; D1047-C1052 WeakPolarHBondContact OD2-CB 3.19Å; D1047-L1069 CarbonylContact C-O 3.5Å; D1047-C1070 WeakPolarHBondContact OD1-CA 3.45Å; D1047-C1071 PolarHBondContact OD1-N 3.47Å; D1047-C1071 VanDerWaalsContact OD1-N 3.15Å; D1047-E1072 WeakPolarHBondContact OD1-CA 3.25Å; D1047-E1072 WeakPolarHBondContact OD1-CB 3.35Å; D1047-E1072 PolarHBondContact OD1-N 2.85Å; D1047-S1073 PolarHBondContact OD1-N 2.81Å; D1047-S1073 VanDerWaalsContact OD1-N 3.09Å; D1047-S1073 VanDerWaalsContact OD2-CB 3.26Å; D1047-S1073 WeakPolarHBondContact OD2-CB 3.44Å; D1047-S1073 PolarHBondContact OD2-N 3.34Å; D1047-S1073 PolarHBondContact OD2-OG 2.7Å
1048	K	56.5	Low	48.4	Very low	124 Å²	124	89.5 Å²	89.5	54%	0.539	48%	0.481	S	S	.	.	S	Bend	trans	-88.3	7	-179	-61.8	173.2	-175.3	164.1	0	113.1	G1046 L1069	G1046-K1048 PolarHBondContact O-N 2.74Å; K1048-L1069 HydrophobicContact CB-CD2 4.22Å; K1048-L1069 PolarHBondContact N-O 3.33Å
1049	S	55.4	Low	49.9	Very low	38 Å²	38	92 Å²	92	27%	0.266	48%	0.482	S	S	.	.	S	Bend	trans	-147.4	144.3	-177.1	173.9	0	0	0	0	111	D1047 F1051 C1052	D1047-S1049 VanDerWaalsContact C-N 3.3Å; D1047-S1049 PolarHBondContact O-N 2.8Å; S1049-F1051 VanDerWaalsContact C-N 3.28Å; S1049-F1051 PolarHBondContact O-N 3.23Å; S1049-F1051 WeakPolarHBondContact OG-CD2 3.09Å; S1049-F1051 PolarHBondContact OG-N 3.48Å; S1049-C1052 WeakPolarHBondContact O-CB 3.34Å; S1049-C1052 PolarHBondContact O-N 3.05Å; S1049-C1052 PolarHBondContact O-SG 2.72Å
1050	I	58.8	Low	51	Low	138 Å²	138	93.1 Å²	93.1	71%	0.708	48%	0.475	S	S	*	.	G	3₁₀ helix	trans	-65.5	-31.1	176.2	-176.4	170.4	0	0	0	112.4	C1052	I1050-C1052 PolarHBondContact O-N 3.49Å; I1050-C1052 VanDerWaalsContact O-N 3.12Å
1051	F	47.6	Very low	52.1	Low	122 Å²	122	91 Å²	91	54%	0.535	46%	0.459	S	S	.	.	G	3₁₀ helix	trans	-66.1	-15.6	-177.6	-61.4	-65.4	0	0	0	113.8	S1049 Q1053 M1054 L1057	S1049-F1051 VanDerWaalsContact C-N 3.28Å; S1049-F1051 PolarHBondContact O-N 3.23Å; S1049-F1051 WeakPolarHBondContact OG-CD2 3.09Å; S1049-F1051 PolarHBondContact OG-N 3.48Å; F1051-Q1053 VanDerWaalsContact C-N 3.27Å; F1051-Q1053 PolarHBondContact O-N 2.74Å; F1051-M1054 HydrophobicContact CD1-SD 3.88Å; F1051-M1054 WeakPolarHBondContact O-CB 3.27Å; F1051-M1054 PolarHBondContact O-N 2.73Å; F1051-M1054 VanDerWaalsContact O-N 3.14Å; F1051-L1057 HydrophobicContact CB-CD1 3.98Å
1052	C	53.6	Low	53.1	Low	3 Å²	3	88.5 Å²	88.5	2%	0.02	45%	0.453	C	S	.	.	G	3₁₀ helix	trans	-63.3	-32.9	-177.1	-54.9	0	0	0	0	113.4	D1047 S1049 I1050 M1054 C1070 S1073	D1047-C1052 HydrophobicContact CB-CB 3.81Å; D1047-C1052 VanDerWaalsContact CG-CB 3.46Å; D1047-C1052 WeakPolarHBondContact OD2-CB 3.19Å; S1049-C1052 WeakPolarHBondContact O-CB 3.34Å; S1049-C1052 PolarHBondContact O-N 3.05Å; S1049-C1052 PolarHBondContact O-SG 2.72Å; I1050-C1052 PolarHBondContact O-N 3.49Å; I1050-C1052 VanDerWaalsContact O-N 3.12Å; C1052-M1054 PolarHBondContact O-N 2.78Å; C1052-C1070 WeakPolarHBondContact CA-SG 3.31Å; C1052-C1070 HydrophobicContact CB-CB 3.4Å; C1052-C1070 VanDerWaalsContact CB-CB 3.4Å; C1052-C1070 WeakPolarHBondContact CB-SG 3.33Å; C1052-C1070 WeakPolarHBondContact SG-CA 3.43Å; C1052-C1070 WeakPolarHBondContact SG-CB 3.37Å; C1052-C1070 CovalentContact SG-SG 2.03Å; C1052-C1070 PolarHBondContact SG-SG 3.49Å; C1052-S1073 WeakPolarHBondContact O-CB 3.41Å; C1052-S1073 PolarHBondContact O-OG 3.47Å
1053	Q	54.7	Low	53.8	Low	162 Å²	162	86.9 Å²	86.9	76%	0.757	45%	0.447	S	S	*	.	G	3₁₀ helix	trans	-78.3	-3.5	179.5	-63.2	-178.6	-6.6	0	0	113.3	F1051 E1055	F1051-Q1053 VanDerWaalsContact C-N 3.27Å; F1051-Q1053 PolarHBondContact O-N 2.74Å; Q1053-E1055 PolarHBondContact O-N 3.47Å
1054	M	57.3	Low	54	Low	98 Å²	98	84.7 Å²	84.7	48%	0.483	43%	0.434	S	S	.	.			trans	-81.4	107.9	173.9	-66.7	176.5	64.6	0	0	110.6	F1051 C1052 V1056 L1057	F1051-M1054 HydrophobicContact CD1-SD 3.88Å; F1051-M1054 WeakPolarHBondContact O-CB 3.27Å; F1051-M1054 PolarHBondContact O-N 2.73Å; F1051-M1054 VanDerWaalsContact O-N 3.14Å; C1052-M1054 PolarHBondContact O-N 2.78Å; M1054-V1056 PolarHBondContact O-N 3.11Å; M1054-L1057 HydrophobicContact CB-CD1 4.25Å; M1054-L1057 HydrophobicContact CB-CG 4.28Å; M1054-L1057 PolarHBondContact O-N 3.22Å; M1054-L1057 HydrophobicContact SD-CD1 4.32Å
1055	E	48	Very low	54.1	Low	144 Å²	144	84 Å²	84	67%	0.673	44%	0.436	S	S	*	.	G	3₁₀ helix	trans	-51.1	-33.4	-177.8	-68.3	-160.8	84.3	0	0	114.8	Q1053 L1057 A1058 K1077	Q1053-E1055 PolarHBondContact O-N 3.47Å; E1055-L1057 PolarHBondContact O-N 2.87Å; E1055-A1058 WeakPolarHBondContact O-CB 3.34Å; E1055-A1058 PolarHBondContact O-N 2.73Å; E1055-K1077 IonicContact OE1-NZ 3.17Å; E1055-K1077 PolarHBondContact OE1-NZ 3.49Å
1056	V	48.4	Very low	54.8	Low	92 Å²	92	78.8 Å²	78.8	56%	0.558	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-62.5	-22.5	179.4	-177.8	0	0	0	0	112.5	M1054 R1059	M1054-V1056 PolarHBondContact O-N 3.11Å; V1056-R1059 VanDerWaalsContact CG1-NH2 3.35Å; V1056-R1059 WeakPolarHBondContact O-CG 3.39Å; V1056-R1059 PolarHBondContact O-NE 2.87Å
1057	L	43.5	Very low	54.6	Low	45 Å²	45	80.6 Å²	80.6	24%	0.236	41%	0.409	C	S	.	.	G	3₁₀ helix	trans	-98.4	-12.7	179.8	-58.2	-178.8	0	0	0	113.3	F1051 M1054 E1055 R1059 Y1060 Y1066	F1051-L1057 HydrophobicContact CB-CD1 3.98Å; M1054-L1057 HydrophobicContact CB-CD1 4.25Å; M1054-L1057 HydrophobicContact CB-CG 4.28Å; M1054-L1057 PolarHBondContact O-N 3.22Å; M1054-L1057 HydrophobicContact SD-CD1 4.32Å; E1055-L1057 PolarHBondContact O-N 2.87Å; L1057-R1059 PolarHBondContact O-N 3.38Å; L1057-R1059 VanDerWaalsContact O-N 3.11Å; L1057-Y1060 HydrophobicContact CB-CD2 4.23Å; L1057-Y1060 HydrophobicContact CD2-CD2 3.98Å; L1057-Y1060 HydrophobicContact CD2-CE2 3.77Å; L1057-Y1060 WeakPolarHBondContact O-CB 3.28Å; L1057-Y1060 WeakPolarHBondContact O-CD2 3.18Å; L1057-Y1060 PolarHBondContact O-N 2.91Å; L1057-Y1066 HydrophobicContact CB-CE2 4.19Å; L1057-Y1066 WeakPolarHBondContact CB-OH 3.39Å; L1057-Y1066 WeakPolarHBondContact O-CE1 3.41Å
1058	A	51.6	Low	55	Low	13 Å²	13	84.3 Å²	84.3	11%	0.107	42%	0.423	C	S	.	.	G	3₁₀ helix	trans	-61.4	-22.1	178.9	0	0	0	0	0	113.5	E1055 Y1060 C1061 K1077	E1055-A1058 WeakPolarHBondContact O-CB 3.34Å; E1055-A1058 PolarHBondContact O-N 2.73Å; A1058-Y1060 PolarHBondContact O-N 2.74Å; A1058-C1061 WeakPolarHBondContact O-CB 3.38Å; A1058-C1061 PolarHBondContact O-N 2.83Å; A1058-C1061 VanDerWaalsContact O-N 3.15Å; A1058-C1061 PolarHBondContact O-SG 3.48Å; A1058-K1077 HydrophobicContact CB-CB 4.45Å; A1058-K1077 HydrophobicContact CB-CD 3.62Å
1059	R	60	Low	55.1	Low	176 Å²	176	82.6 Å²	82.6	66%	0.664	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	-66.9	-11.1	170.8	55.4	-174.7	166.9	172.8	1.8	114.8	V1056 L1057	V1056-R1059 VanDerWaalsContact CG1-NH2 3.35Å; V1056-R1059 WeakPolarHBondContact O-CG 3.39Å; V1056-R1059 PolarHBondContact O-NE 2.87Å; L1057-R1059 PolarHBondContact O-N 3.38Å; L1057-R1059 VanDerWaalsContact O-N 3.11Å
1060	Y	53.8	Low	55.7	Low	105 Å²	105	80.9 Å²	80.9	41%	0.412	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-90.6	3.6	172.4	-58.9	-64.9	0	0	0	113.5	L1057 A1058 S1062 I1063	L1057-Y1060 HydrophobicContact CB-CD2 4.23Å; L1057-Y1060 HydrophobicContact CD2-CD2 3.98Å; L1057-Y1060 HydrophobicContact CD2-CE2 3.77Å; L1057-Y1060 WeakPolarHBondContact O-CB 3.28Å; L1057-Y1060 WeakPolarHBondContact O-CD2 3.18Å; L1057-Y1060 PolarHBondContact O-N 2.91Å; A1058-Y1060 PolarHBondContact O-N 2.74Å; Y1060-S1062 PolarHBondContact O-N 2.8Å; Y1060-I1063 HydrophobicContact CD1-CD1 3.94Å; Y1060-I1063 VanDerWaalsContact O-CB 3.26Å; Y1060-I1063 WeakPolarHBondContact O-CB 3.25Å; Y1060-I1063 WeakPolarHBondContact O-CG1 3.4Å; Y1060-I1063 PolarHBondContact O-N 3.42Å
1061	C	57.3	Low	56.2	Low	20 Å²	20	74.9 Å²	74.9	14%	0.135	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-18.4	-179.3	-71.7	0	0	0	0	115.3	A1058 I1063 C1074	A1058-C1061 WeakPolarHBondContact O-CB 3.38Å; A1058-C1061 PolarHBondContact O-N 2.83Å; A1058-C1061 VanDerWaalsContact O-N 3.15Å; A1058-C1061 PolarHBondContact O-SG 3.48Å; C1061-I1063 PolarHBondContact O-N 2.83Å; C1061-C1074 WeakPolarHBondContact CA-SG 3.41Å; C1061-C1074 HydrophobicContact CB-CB 3.43Å; C1061-C1074 VanDerWaalsContact CB-CB 3.43Å; C1061-C1074 WeakPolarHBondContact CB-SG 3.25Å; C1061-C1074 WeakPolarHBondContact SG-CA 3.29Å; C1061-C1074 WeakPolarHBondContact SG-CB 3.34Å; C1061-C1074 CovalentContact SG-SG 2.02Å; C1061-C1074 PolarHBondContact SG-SG 2.79Å
1062	S	54.7	Low	57.5	Low	92 Å²	92	73.1 Å²	73.1	64%	0.643	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-9.7	167.3	53.5	0	0	0	0	114	Y1060 P1064	Y1060-S1062 PolarHBondContact O-N 2.8Å; S1062-P1064 WeakPolarHBondContact O-CD 3.29Å
1063	I	57.3	Low	58.3	Low	87 Å²	87	74.1 Å²	74.1	45%	0.446	38%	0.378	S	S	.	.	S	Bend	trans	-92.3	116	176.2	-54.8	179.8	0	0	0	109.1	Y1060 C1061 G1065 Y1066 Y1067	Y1060-I1063 HydrophobicContact CD1-CD1 3.94Å; Y1060-I1063 VanDerWaalsContact O-CB 3.26Å; Y1060-I1063 WeakPolarHBondContact O-CB 3.25Å; Y1060-I1063 WeakPolarHBondContact O-CG1 3.4Å; Y1060-I1063 PolarHBondContact O-N 3.42Å; C1061-I1063 PolarHBondContact O-N 2.83Å; I1063-G1065 PolarHBondContact O-N 3.26Å; I1063-Y1066 PolarHBondContact O-N 2.75Å; I1063-Y1067 PolarHBondContact O-N 2.76Å
1064	P	53.5	Low	59	Low	54 Å²	54	66.5 Å²	66.5	35%	0.351	34%	0.343	S	S	.	.	H	α-helix	trans	-57.9	-26.7	-174	-28.4	35.7	0	0	0	115.5	L1038 S1062 K1068	L1038-P1064 HydrophobicContact CD2-CG 3.81Å; L1038-P1064 HydrophobicContact CG-CG 3.85Å; S1062-P1064 WeakPolarHBondContact O-CD 3.29Å; P1064-K1068 WeakPolarHBondContact O-CB 3.16Å; P1064-K1068 PolarHBondContact O-N 3.39Å
1065	G	55.4	Low	59.2	Low	46 Å²	46	65.3 Å²	65.3	47%	0.474	34%	0.338	S	S	.	.	H	α-helix	trans	-71.8	-41.1	174.4	0	0	0	0	0	113.4	I1063 K1068	I1063-G1065 PolarHBondContact O-N 3.26Å; G1065-K1068 PolarHBondContact O-N 2.77Å
1066	Y	64.5	Low	59.8	Low	39 Å²	39	64.5 Å²	64.5	15%	0.153	33%	0.333	C	S	.	.	H	α-helix	trans	-69.6	-43.3	173.5	-170.8	-96.3	0	0	0	109.9	L1057 I1063 K1068 L1069 C1070 C1074	L1057-Y1066 HydrophobicContact CB-CE2 4.19Å; L1057-Y1066 WeakPolarHBondContact CB-OH 3.39Å; L1057-Y1066 WeakPolarHBondContact O-CE1 3.41Å; I1063-Y1066 PolarHBondContact O-N 2.75Å; Y1066-K1068 VanDerWaalsContact C-N 3.31Å; Y1066-K1068 PolarHBondContact O-N 3.18Å; Y1066-L1069 PolarHBondContact O-N 3.38Å; Y1066-C1070 HydrophobicContact CD1-CB 3.97Å; Y1066-C1070 HydrophobicContact CE1-CB 3.55Å; Y1066-C1070 HydrophobicContact CE2-CB 4.38Å; Y1066-C1070 WeakPolarHBondContact O-CB 3.3Å; Y1066-C1070 PolarHBondContact O-N 2.85Å; Y1066-C1074 VanDerWaalsContact CD1-SG 3.59Å
1067	Y	56	Low	60.1	Low	54 Å²	54	64.9 Å²	64.9	21%	0.212	33%	0.327	C	S	.	.	H	α-helix	trans	-57.7	-36.7	173.2	-170.1	-85.9	0	0	0	113.1	I1063 L1069 C1071 C1074 N1075	I1063-Y1067 PolarHBondContact O-N 2.76Å; Y1067-L1069 VanDerWaalsContact C-N 3.26Å; Y1067-L1069 PolarHBondContact O-N 3.08Å; Y1067-C1071 WeakPolarHBondContact O-CA 3.16Å; Y1067-C1071 WeakPolarHBondContact O-CB 3.4Å; Y1067-C1071 PolarHBondContact O-N 2.78Å; Y1067-C1071 VanDerWaalsContact O-N 3.08Å; Y1067-C1074 HydrophobicContact CD2-CB 3.74Å; Y1067-C1074 HydrophobicContact CE2-CB 4.16Å; Y1067-N1075 VanDerWaalsContact OH-CG 3.25Å; Y1067-N1075 PolarHBondContact OH-ND2 2.83Å; Y1067-N1075 PolarHBondContact OH-OD1 2.91Å
1068	K	66.8	Low	60	Low	118 Å²	118	71.1 Å²	71.1	51%	0.513	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-17.4	175	-92.6	-156.8	178.6	-165.7	0	115.2	E1042 P1064 G1065 Y1066	E1042-K1068 WeakPolarHBondContact OE2-CE 2.86Å; E1042-K1068 IonicContact OE2-NZ 2.63Å; E1042-K1068 PolarHBondContact OE2-NZ 2.89Å; P1064-K1068 WeakPolarHBondContact O-CB 3.16Å; P1064-K1068 PolarHBondContact O-N 3.39Å; G1065-K1068 PolarHBondContact O-N 2.77Å; Y1066-K1068 VanDerWaalsContact C-N 3.31Å; Y1066-K1068 PolarHBondContact O-N 3.18Å
1069	L	58.6	Low	59.3	Low	88 Å²	88	74 Å²	74	46%	0.461	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-39.8	177.9	-73.2	168.3	0	0	0	112.1	D1047 K1048 Y1066 Y1067	D1047-L1069 CarbonylContact C-O 3.5Å; K1048-L1069 HydrophobicContact CB-CD2 4.22Å; K1048-L1069 PolarHBondContact N-O 3.33Å; Y1066-L1069 PolarHBondContact O-N 3.38Å; Y1067-L1069 VanDerWaalsContact C-N 3.26Å; Y1067-L1069 PolarHBondContact O-N 3.08Å
1070	C	68.8	Low	58.3	Low	2 Å²	2	72.5 Å²	72.5	1%	0.014	37%	0.374	C	S	.	.	S	Bend	trans	-112.3	37.4	-175.1	-61.6	0	0	0	0	112.1	D1047 C1052 Y1066 E1072 S1073 C1074	D1047-C1070 WeakPolarHBondContact OD1-CA 3.45Å; C1052-C1070 WeakPolarHBondContact CA-SG 3.31Å; C1052-C1070 HydrophobicContact CB-CB 3.4Å; C1052-C1070 VanDerWaalsContact CB-CB 3.4Å; C1052-C1070 WeakPolarHBondContact CB-SG 3.33Å; C1052-C1070 WeakPolarHBondContact SG-CA 3.43Å; C1052-C1070 WeakPolarHBondContact SG-CB 3.37Å; C1052-C1070 CovalentContact SG-SG 2.03Å; C1052-C1070 PolarHBondContact SG-SG 3.49Å; Y1066-C1070 HydrophobicContact CD1-CB 3.97Å; Y1066-C1070 HydrophobicContact CE1-CB 3.55Å; Y1066-C1070 HydrophobicContact CE2-CB 4.38Å; Y1066-C1070 WeakPolarHBondContact O-CB 3.3Å; Y1066-C1070 PolarHBondContact O-N 2.85Å; C1070-E1072 PolarHBondContact O-N 3.41Å; C1070-S1073 PolarHBondContact O-N 2.88Å; C1070-C1074 WeakPolarHBondContact O-CB 3.28Å; C1070-C1074 PolarHBondContact O-N 3.43Å; C1070-C1074 PolarHBondContact O-SG 3.44Å
1071	C	69.5	Low	57.3	Low	13 Å²	13	74.6 Å²	74.6	9%	0.088	40%	0.398	C	S	.	.	H	α-helix	trans	-56.4	-35.5	-171	-176.6	0	0	0	0	113.5	C1044 D1047 Y1067 N1075	C1044-C1071 WeakPolarHBondContact CA-SG 3.34Å; C1044-C1071 HydrophobicContact CB-CB 4.33Å; C1044-C1071 WeakPolarHBondContact CB-SG 3.09Å; C1044-C1071 WeakPolarHBondContact SG-CB 3.34Å; C1044-C1071 CovalentContact SG-SG 2.03Å; C1044-C1071 PolarHBondContact SG-SG 3.44Å; D1047-C1071 PolarHBondContact OD1-N 3.47Å; D1047-C1071 VanDerWaalsContact OD1-N 3.15Å; Y1067-C1071 WeakPolarHBondContact O-CA 3.16Å; Y1067-C1071 WeakPolarHBondContact O-CB 3.4Å; Y1067-C1071 PolarHBondContact O-N 2.78Å; Y1067-C1071 VanDerWaalsContact O-N 3.08Å; C1071-N1075 PolarHBondContact O-N 2.79Å; C1071-N1075 PolarHBondContact O-ND2 3.19Å
1072	E	73.2	Confident	55.9	Low	85 Å²	85	77.5 Å²	77.5	40%	0.397	42%	0.423	S	S	.	.	H	α-helix	trans	-84.3	-45	-176.9	-156.8	-168.5	137.2	0	0	111.5	D1047 C1070 C1074 K1076	D1047-E1072 WeakPolarHBondContact OD1-CA 3.25Å; D1047-E1072 WeakPolarHBondContact OD1-CB 3.35Å; D1047-E1072 PolarHBondContact OD1-N 2.85Å; C1070-E1072 PolarHBondContact O-N 3.41Å; E1072-C1074 PolarHBondContact O-N 3.41Å; E1072-K1076 WeakPolarHBondContact O-CD 3.42Å; E1072-K1076 VanDerWaalsContact O-CG 3.29Å; E1072-K1076 WeakPolarHBondContact O-CG 3.37Å; E1072-K1076 PolarHBondContact O-N 3.45Å; E1072-K1076 IonicContact OE1-NZ 3.82Å; E1072-K1076 PolarHBondContact OE1-NZ 2.99Å
1073	S	71.8	Confident	54.7	Low	23 Å²	23	82.3 Å²	82.3	16%	0.161	44%	0.435	C	S	.	.	H	α-helix	trans	-66.4	-26.2	174.6	-68.5	0	0	0	0	112.8	D1047 C1052 C1070	D1047-S1073 PolarHBondContact OD1-N 2.81Å; D1047-S1073 VanDerWaalsContact OD1-N 3.09Å; D1047-S1073 VanDerWaalsContact OD2-CB 3.26Å; D1047-S1073 WeakPolarHBondContact OD2-CB 3.44Å; D1047-S1073 PolarHBondContact OD2-N 3.34Å; D1047-S1073 PolarHBondContact OD2-OG 2.7Å; C1052-S1073 WeakPolarHBondContact O-CB 3.41Å; C1052-S1073 PolarHBondContact O-OG 3.47Å; C1070-S1073 PolarHBondContact O-N 2.88Å
1074	C	69.8	Low	53.8	Low	2 Å²	2	84.3 Å²	84.3	1%	0.014	45%	0.451	C	S	.	.	H	α-helix	trans	-74.7	-47.3	176.3	-75.2	0	0	0	0	114	C1061 Y1066 Y1067 C1070 E1072 K1076 K1077	C1061-C1074 WeakPolarHBondContact CA-SG 3.41Å; C1061-C1074 HydrophobicContact CB-CB 3.43Å; C1061-C1074 VanDerWaalsContact CB-CB 3.43Å; C1061-C1074 WeakPolarHBondContact CB-SG 3.25Å; C1061-C1074 WeakPolarHBondContact SG-CA 3.29Å; C1061-C1074 WeakPolarHBondContact SG-CB 3.34Å; C1061-C1074 CovalentContact SG-SG 2.02Å; C1061-C1074 PolarHBondContact SG-SG 2.79Å; Y1066-C1074 VanDerWaalsContact CD1-SG 3.59Å; Y1067-C1074 HydrophobicContact CD2-CB 3.74Å; Y1067-C1074 HydrophobicContact CE2-CB 4.16Å; C1070-C1074 WeakPolarHBondContact O-CB 3.28Å; C1070-C1074 PolarHBondContact O-N 3.43Å; C1070-C1074 PolarHBondContact O-SG 3.44Å; E1072-C1074 PolarHBondContact O-N 3.41Å; C1074-K1076 PolarHBondContact O-N 3.48Å; C1074-K1076 VanDerWaalsContact O-N 3.16Å; C1074-K1077 PolarHBondContact O-N 2.9Å; C1074-K1077 VanDerWaalsContact O-N 3.15Å
1075	N	61.6	Low	53	Low	74 Å²	74	87.2 Å²	87.2	40%	0.396	47%	0.47	S	S	.	.	H	α-helix	trans	-63.8	-19	176.1	-75.4	-54.1	0	0	0	112.7	Y1067 C1071 K1077	Y1067-N1075 VanDerWaalsContact OH-CG 3.25Å; Y1067-N1075 PolarHBondContact OH-ND2 2.83Å; Y1067-N1075 PolarHBondContact OH-OD1 2.91Å; C1071-N1075 PolarHBondContact O-N 2.79Å; C1071-N1075 PolarHBondContact O-ND2 3.19Å; N1075-K1077 VanDerWaalsContact C-N 3.33Å; N1075-K1077 PolarHBondContact O-N 3.35Å
1076	K	60.5	Low	51.7	Low	127 Å²	127	92.2 Å²	92.2	55%	0.552	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	1.3	176.1	-72.4	171.2	-173.2	169.3	0	115	E1072 C1074	E1072-K1076 WeakPolarHBondContact O-CD 3.42Å; E1072-K1076 VanDerWaalsContact O-CG 3.29Å; E1072-K1076 WeakPolarHBondContact O-CG 3.37Å; E1072-K1076 PolarHBondContact O-N 3.45Å; E1072-K1076 IonicContact OE1-NZ 3.82Å; E1072-K1076 PolarHBondContact OE1-NZ 2.99Å; C1074-K1076 PolarHBondContact O-N 3.48Å; C1074-K1076 VanDerWaalsContact O-N 3.16Å
1077	K	53.9	Low	50.1	Low	99 Å²	99	94.9 Å²	94.9	43%	0.43	51%	0.511	S	S	.	.	S	Bend	trans	-138	15.9	-173.2	-131.2	175	-171.2	172.8	0	117.6	E1055 A1058 C1074 N1075	E1055-K1077 IonicContact OE1-NZ 3.17Å; E1055-K1077 PolarHBondContact OE1-NZ 3.49Å; A1058-K1077 HydrophobicContact CB-CB 4.45Å; A1058-K1077 HydrophobicContact CB-CD 3.62Å; C1074-K1077 PolarHBondContact O-N 2.9Å; C1074-K1077 VanDerWaalsContact O-N 3.15Å; N1075-K1077 VanDerWaalsContact C-N 3.33Å; N1075-K1077 PolarHBondContact O-N 3.35Å
1078	E	41.2	Very low	48.8	Very low	177 Å²	177	96.9 Å²	96.9	83%	0.827	53%	0.532	S	S	*	.	S	Bend	trans	-77.6	-11.2	161.2	-72.9	-166.2	130.3	0	0	112.5
1079	S	37.7	Very low	46.9	Very low	73 Å²	73	96 Å²	96	51%	0.51	54%	0.541	S	S	.	.	S	Bend	trans	-83.7	121.2	170.9	41.3	0	0	0	0	112.1
1080	H	38.3	Very low	45.4	Very low	145 Å²	145	101.1 Å²	101.1	67%	0.671	56%	0.559	S	S	*	*			trans	77.6	86.5	169.3	-49.8	-74.5	0	0	0	119.6
1081	T	32.7	Very low	43.3	Very low	148 Å²	148	106.5 Å²	106.5	91%	0.908	59%	0.593	S	S	*	*			trans	-116.2	101.4	131.1	51.6	0	0	0	0	109.8
1082	A	29.1	Very low	41.3	Very low	81 Å²	81	114.3 Å²	114.3	67%	0.669	63%	0.628	S	S	*	*			trans	-161.2	110.2	171.1	0	0	0	0	0	115
1083	H	28.9	Very low	39.8	Very low	194 Å²	194	115.1 Å²	115.1	90%	0.898	64%	0.64	S	S	*	*			trans	64.8	159.7	139	-74	-80.4	0	0	0	124.5
1084	V	38.1	Very low	37.6	Very low	128 Å²	128	122.1 Å²	122.1	78%	0.776	67%	0.67	S	S	*	*			trans	-108.2	151.1	-177.7	175.3	0	0	0	0	109.3
1085	P	36	Very low	35.4	Very low	115 Å²	115	128 Å²	128	75%	0.747	71%	0.707	S	S	*	*			trans	-130.1	146.6	133.3	34.7	-23.2	0	0	0	111.5
1086	D	29.3	Very low	33.7	Very low	151 Å²	151	129.7 Å²	129.7	81%	0.807	72%	0.724	S	S	*	*			cis	75.7	141.9	34.5	-155.5	45.5	0	0	0	112.3
1087	S	30.5	Very low	32	Very low	96 Å²	96	130 Å²	130	67%	0.671	74%	0.737	S	S	*	*			cis	-132.3	-161	5.6	58	0	0	0	0	109.8
1088	S	29.1	Very low	31.5	Very low	96 Å²	96	130.8 Å²	130.8	67%	0.671	75%	0.752	S	S	*	*			cis	-166.6	171.2	11.9	110.8	0	0	0	0	108.4
1089	S	27	Very low	30.9	Very low	99 Å²	99	127 Å²	127	69%	0.692	75%	0.745	S	S	*	*			cis	174.6	160.7	-23.2	59.7	0	0	0	0	107.6
1090	K	25.6	Very low	30.5	Very low	195 Å²	195	131.3 Å²	131.3	85%	0.848	76%	0.757	S	S	*	*			trans	-170.7	124	156.2	-113.9	169.9	-174.3	-179.3	0	114
1091	T	25.3	Very low	30	Very low	116 Å²	116	129.7 Å²	129.7	71%	0.712	76%	0.762	S	S	*	*			trans	43.8	107.6	149.6	48.8	0	0	0	0	119.5
1092	E	28.8	Very low	29.9	Very low	177 Å²	177	126.4 Å²	126.4	83%	0.827	75%	0.75	S	S	*	*				76	152	82.9	-80.9	-157.3	161	0	0	116.1
1093	P	40.1	Very low	29.8	Very low	101 Å²	101	128.4 Å²	128.4	66%	0.656	76%	0.758	S	S	*	*			cis	-142.1	-156.5	-43.2	38.4	-17.3	0	0	0	113.6
1094	E	25.2	Very low	29.7	Very low	170 Å²	170	123 Å²	123	79%	0.794	75%	0.747	S	S	*	*			trans	85.8	116.9	164.8	-51.8	-140.9	163.6	0	0	119.6
1095	T	23.8	Very low	29.2	Very low	127 Å²	127	126.4 Å²	126.4	78%	0.779	75%	0.752	S	S	*	*				65.6	140.3	82.6	16.7	0	0	0	0	116.1
1096	S	26	Very low	28.9	Very low	108 Å²	108	125.3 Å²	125.3	76%	0.755	75%	0.752	S	S	*	*			cis	-155	-168.3	14.2	64	0	0	0	0	115.2
1097	T	25.2	Very low	28.8	Very low	135 Å²	135	122.8 Å²	122.8	83%	0.828	75%	0.746	S	S	*	*			trans	-75.2	175	-169.2	30.1	0	0	0	0	117.4
1098	P	44.6	Very low	28.6	Very low	115 Å²	115	129 Å²	129	75%	0.747	76%	0.755	S	S	*	*			trans	-112.9	-158.9	-148	45.4	-40.1	0	0	0	116.8
1099	S	27.3	Very low	28.6	Very low	96 Å²	96	131.6 Å²	131.6	67%	0.671	76%	0.761	S	S	*	*			trans	94.4	161.7	170.5	85.2	0	0	0	0	115.9
1100	H	29.5	Very low	28.8	Very low	165 Å²	165	130.6 Å²	130.6	76%	0.764	76%	0.759	S	S	*	*			cis	-158.3	139.5	15.1	-125	-48.9	0	0	0	113.7
1101	S	28.2	Very low	28.9	Very low	111 Å²	111	127.6 Å²	127.6	78%	0.776	76%	0.757	S	S	*	*			trans	66.7	173	143.4	81.2	0	0	0	0	119.6
1102	A	29.4	Very low	28.9	Very low	79 Å²	79	128.2 Å²	128.2	65%	0.653	76%	0.761	S	S	*	*			cis	-155.2	157.6	1.7	0	0	0	0	0	114.1
1103	S	27.5	Very low	28.9	Very low	122 Å²	122	125.7 Å²	125.7	85%	0.853	76%	0.757	S	S	*	*			trans	60.5	152.5	141.9	-68	0	0	0	0	123
1104	A	27.7	Very low	28.9	Very low	80 Å²	80	126 Å²	126	66%	0.661	76%	0.76	S	S	*	*			cis	-169.5	152.6	-20.8	0	0	0	0	0	112.6
1105	K	27.1	Very low	29	Very low	200 Å²	200	122.8 Å²	122.8	87%	0.87	76%	0.756	S	S	*	*			trans	45.8	114	144.3	-67.5	176.9	-178.9	179.5	0	119.5
1106	A	28.8	Very low	29.2	Very low	92 Å²	92	123.5 Å²	123.5	76%	0.76	75%	0.754	S	S	*	*				77.6	139.8	83.1	0	0	0	0	0	114.6
1107	S	28	Very low	29.4	Very low	98 Å²	98	125.5 Å²	125.5	69%	0.685	75%	0.752	S	S	*	*			cis	-168.5	179.7	-5.3	-89.9	0	0	0	0	110.5
1108	W	26.9	Very low	29.7	Very low	227 Å²	227	126 Å²	126	86%	0.86	75%	0.745	S	S	*	*			trans	86.6	102.6	162.4	-60.5	89.4	0	0	0	121.3
1109	L	28.9	Very low	28.9	Very low	150 Å²	150	125.8 Å²	125.8	79%	0.785	74%	0.741	S	S	*	*				49.8	133.3	121.9	-85.3	159.9	0	0	0	124.9
1110	A	29.9	Very low	29	Very low	78 Å²	78	126.6 Å²	126.6	65%	0.645	74%	0.742	S	S	*	*			trans	95	87.5	134.6	0	0	0	0	0	123.5
1111	T	28	Very low	29	Very low	132 Å²	132	128.6 Å²	128.6	81%	0.81	75%	0.749	S	S	*	*				75.7	146	122.4	-32.8	0	0	0	0	123.1
1112	T	26.2	Very low	29.1	Very low	129 Å²	129	127.7 Å²	127.7	79%	0.791	75%	0.748	S	S	*	*			trans	102.2	136.1	150.9	3.9	0	0	0	0	121.9
1113	T	28.6	Very low	29.2	Very low	124 Å²	124	131.1 Å²	131.1	76%	0.761	75%	0.752	S	S	*	*			trans	-69.1	176.4	178.7	45	0	0	0	0	114.7
1114	P	40.6	Very low	29.3	Very low	108 Å²	108	135.5 Å²	135.5	70%	0.701	75%	0.75	S	S	*	*			cis	-156.6	-174.5	33.6	43.8	-20.7	0	0	0	121.3
1115	S	27	Very low	29.3	Very low	103 Å²	103	143.6 Å²	143.6	72%	0.72	76%	0.764	S	S	*	*			trans	73	153.2	142.6	-86.9	0	0	0	0	121.4
1116	L	28.1	Very low	29.3	Very low	141 Å²	141	145.4 Å²	145.4	74%	0.738	77%	0.765	S	S	*	*			cis	-172.3	170.7	-10.8	-162.3	67.1	0	0	0	111.8
1117	Q	30	Very low	29.2	Very low	151 Å²	151	147.2 Å²	147.2	71%	0.706	76%	0.761	S	S	*	*			trans	78.7	155.8	156.4	-58.5	-152.6	9.4	0	0	120.3
1118	Q	31	Very low	29.3	Very low	145 Å²	145	151.7 Å²	151.7	68%	0.678	77%	0.769	S	S	*	*			cis	-172.3	163.5	-18.3	-105.4	-153.5	94.8	0	0	109.7
1119	T	29.1	Very low	29.3	Very low	110 Å²	110	145.7 Å²	145.7	68%	0.675	76%	0.761	S	S	*	*			cis	-131.6	-99.1	-23.2	-3.8	0	0	0	0	111.9
1120	T	28.4	Very low	29	Very low	113 Å²	113	144.6 Å²	144.6	69%	0.693	76%	0.761	S	S	*	*			cis	-160.6	127.9	-12.7	43.9	0	0	0	0	113.3
1121	K	29.6	Very low	28.9	Very low	208 Å²	208	148.2 Å²	148.2	90%	0.904	77%	0.768	S	S	*	*			trans	33.5	150.6	132.9	-64.1	177.5	-177.4	175.5	0	121.7
1122	A	30.8	Very low	29.7	Very low	92 Å²	92	147.6 Å²	147.6	76%	0.76	77%	0.766	S	S	*	*			cis	-176	176.7	9.6	0	0	0	0	0	110.6
1123	M	30.2	Very low	29.8	Very low	151 Å²	151	145.5 Å²	145.5	74%	0.744	76%	0.762	S	S	*	*			cis	179.7	136.8	-25.8	177.1	165	121.6	0	0	113.5
1124	R	31	Very low	30.7	Very low	214 Å²	214	145 Å²	145	81%	0.808	76%	0.761	S	S	*	*			trans	76.2	134.9	154.6	-86.3	-178	178.7	-179	-1.6	125.7
1125	R	27.2	Very low	30.1	Very low	250 Å²	250	145.5 Å²	145.5	94%	0.943	76%	0.762	S	S	*	*			trans	-178.7	158.7	136.1	-89.4	143.8	-168.5	-158.8	2.5	107.9
1126	R	26.3	Very low	30.4	Very low	237 Å²	237	146.7 Å²	146.7	89%	0.894	77%	0.765	S	S	*	*			cis	-135.5	-142.8	-12.5	-160.9	-170.1	174.3	176.8	-1.4	108.6
1127	L	27.8	Very low	30.7	Very low	131 Å²	131	144.4 Å²	144.4	69%	0.686	77%	0.767	S	S	*	*			trans	-155	162.8	-177.6	-72.1	99.1	0	0	0	114.8
1128	F	29.7	Very low	31	Very low	191 Å²	191	142 Å²	142	84%	0.838	77%	0.772	S	S	*	*			trans	106.6	128.7	139.7	-82.6	-62.1	0	0	0	124.1
1129	S	25.8	Very low	31.2	Very low	101 Å²	101	139.7 Å²	139.7	71%	0.706	78%	0.778	S	S	*	*			trans	72.4	155.9	148.2	-139.3	0	0	0	0	118.6
1130	T	24.4	Very low	31.5	Very low	128 Å²	128	138.1 Å²	138.1	79%	0.785	78%	0.776	S	S	*	*			cis	-153.9	169.7	10.9	-33.7	0	0	0	0	113.2
1131	I	27.1	Very low	31.4	Very low	153 Å²	153	141.7 Å²	141.7	79%	0.785	78%	0.782	S	S	*	*			trans	-70	165	162.2	-81.7	166.1	0	0	0	111.1
1132	P	44.5	Very low	31.3	Very low	120 Å²	120	138.7 Å²	138.7	78%	0.779	78%	0.775	S	S	*	*			cis	-135.5	-173.2	20.4	30.6	-5.4	0	0	0	118.3
1133	A	27.8	Very low	33	Very low	84 Å²	84	139.7 Å²	139.7	69%	0.694	77%	0.773	S	S	*	*			trans	-88.8	-163.7	161.7	0	0	0	0	0	111.9
1134	P	47.5	Very low	34.7	Very low	114 Å²	114	137.9 Å²	137.9	74%	0.74	77%	0.773	S	S	*	*				-126.1	-147.8	63.4	29.2	-7.4	0	0	0	111.2
1135	T	29.2	Very low	36.1	Very low	118 Å²	118	132.4 Å²	132.4	72%	0.724	77%	0.765	S	S	*	*			cis	-170.3	159.4	15.1	-2.8	0	0	0	0	104.6
1136	T	33	Very low	36.2	Very low	129 Å²	129	126.9 Å²	126.9	79%	0.791	76%	0.759	S	S	*	*			cis	176.8	163.2	-19.8	26.1	0	0	0	0	105.3
1137	A	34.3	Very low	36.3	Very low	93 Å²	93	122.7 Å²	122.7	77%	0.769	76%	0.755	S	S	*	*			cis	179.7	154.4	-17.6	0	0	0	0	0	105.5
1138	A	36.1	Very low	36.3	Very low	99 Å²	99	121.1 Å²	121.1	82%	0.818	76%	0.76	S	S	*	*			cis	-160.6	-150.5	-10.3	0	0	0	0	0	106.1
1139	A	34.6	Very low	36.2	Very low	97 Å²	97	116.4 Å²	116.4	80%	0.802	76%	0.757	S	S	*	*			cis	-163.9	-24.1	10.8	0	0	0	0	0	118.2
1140	A	35.7	Very low	36.3	Very low	77 Å²	77	119.3 Å²	119.3	64%	0.636	76%	0.763	S	S	*	*			trans	-153.5	158.7	-150.4	0	0	0	0	0	115.5
1141	K	27.1	Very low	36.6	Very low	188 Å²	188	118.3 Å²	118.3	82%	0.817	76%	0.762	S	S	*	*			cis	-165.4	138.7	-16.9	-102.3	174.1	-171.9	178.9	0	107
1142	I	27.3	Very low	37.4	Very low	146 Å²	146	117 Å²	117	75%	0.749	76%	0.763	S	S	*	*			cis	74.6	129.3	6.4	-42.6	163.9	0	0	0	114.7
1143	P	66	Low	36.6	Very low	113 Å²	113	119.7 Å²	119.7	73%	0.734	77%	0.765	S	S	*	*			cis	-114.7	-144.6	-23.6	43.1	-27.9	0	0	0	109.2
1144	P	66.4	Low	37.5	Very low	113 Å²	113	120.8 Å²	120.8	73%	0.734	77%	0.765	S	S	*	*			cis	-120.3	-126.3	-24.6	36.4	-13.7	0	0	0	109.5
1145	P	59.5	Low	36.5	Very low	98 Å²	98	120.4 Å²	120.4	64%	0.636	76%	0.761	S	S	*	*			cis	-134.3	168.8	-37.5	36.6	-18.3	0	0	0	117.5
1146	T	30.7	Very low	36.4	Very low	134 Å²	134	122 Å²	122	82%	0.822	76%	0.764	S	S	*	*			trans	69	168.5	150.1	39.1	0	0	0	0	122.3
1147	D	27.8	Very low	36	Very low	150 Å²	150	122.7 Å²	122.7	80%	0.802	76%	0.762	S	S	*	*			trans	-107.5	155.2	-143.4	-59.5	-87.5	0	0	0	119
1148	A	28.3	Very low	35.6	Very low	97 Å²	97	123.7 Å²	123.7	80%	0.802	76%	0.764	S	S	*	*			trans	35.4	142.1	140.6	0	0	0	0	0	125.7
1149	A	27.3	Very low	35	Very low	93 Å²	93	126.6 Å²	126.6	77%	0.769	77%	0.765	S	S	*	*			trans	97.5	121.7	141	0	0	0	0	0	122.5
1150	L	27.9	Very low	35.4	Very low	161 Å²	161	127.1 Å²	127.1	84%	0.843	76%	0.759	S	S	*	*			trans	49.8	110	144.1	-78.3	158.4	0	0	0	122.8
1151	S	30.4	Very low	35	Very low	108 Å²	108	129.4 Å²	129.4	76%	0.755	76%	0.761	S	S	*	*			trans	66.8	171.4	148.4	-55	0	0	0	0	117.8
1152	P	43.7	Very low	34.9	Very low	125 Å²	125	127.4 Å²	127.4	81%	0.812	76%	0.755	S	S	*	*			cis	-128.2	-165	-13.8	33.4	-11.3	0	0	0	114.2
1153	H	28.9	Very low	34.8	Very low	177 Å²	177	125 Å²	125	82%	0.819	74%	0.741	S	S	*	*			trans	-62.4	-179	155.2	-92.3	-49.5	0	0	0	112.9
1154	P	46.6	Very low	33	Very low	107 Å²	107	128.3 Å²	128.3	70%	0.695	74%	0.738	S	S	*	*			cis	-124.8	-136.4	11.1	25.6	1.9	0	0	0	112.9
1155	T	26.6	Very low	31.1	Very low	106 Å²	106	131.9 Å²	131.9	65%	0.65	74%	0.737	S	S	*	*			cis	-167.2	155.1	8.9	-13.4	0	0	0	0	112
1156	I	25.9	Very low	29.6	Very low	152 Å²	152	133.3 Å²	133.3	78%	0.779	74%	0.739	S	S	*	*			trans	46	134.8	140.3	-75.2	167.5	0	0	0	119.8
1157	D	24.3	Very low	29.4	Very low	143 Å²	143	131.9 Å²	131.9	77%	0.765	74%	0.735	S	S	*	*			cis	-154.4	178.5	23.5	-144.8	-24	0	0	0	114.7
1158	S	25.9	Very low	29.5	Very low	114 Å²	114	132.5 Å²	132.5	80%	0.797	73%	0.733	S	S	*	*			trans	88.2	129.4	154.9	70.5	0	0	0	0	122.6
1159	L	24.6	Very low	29.5	Very low	160 Å²	160	133.7 Å²	133.7	84%	0.838	73%	0.729	S	S	*	*			trans	-94.2	-179.7	171.4	-88.6	162.5	0	0	0	110.5
1160	P	42.9	Very low	29.4	Very low	107 Å²	107	135.8 Å²	135.8	70%	0.695	73%	0.728	S	S	*	*			cis	-148.8	175.2	24.8	44	-23	0	0	0	120.5
1161	N	26.5	Very low	29.5	Very low	125 Å²	125	133 Å²	133	67%	0.668	72%	0.717	S	S	*	*			trans	42.8	156.6	141.8	-64.7	31.9	0	0	0	123.3
1162	E	26.2	Very low	29.4	Very low	146 Å²	146	138.2 Å²	138.2	68%	0.682	72%	0.72	S	S	*	*			cis	-166.7	177.6	-11.2	-111.2	-179.2	110.9	0	0	107.7
1163	E	25.1	Very low	28.7	Very low	97 Å²	97	140 Å²	140	45%	0.453	72%	0.722	S	S	.	*			cis	-97.7	-135.4	2.2	-122.5	-151.1	156.3	0	0	110.8	R1165	E1163-R1165 VanDerWaalsContact CD-NH2 3.34Å; E1163-R1165 IonicContact OE1-CZ 3.39Å; E1163-R1165 IonicContact OE1-NE 2.69Å; E1163-R1165 IonicContact OE1-NH2 3.8Å; E1163-R1165 PolarHBondContact OE1-NH2 3.26Å; E1163-R1165 IonicContact OE2-CZ 2.72Å; E1163-R1165 IonicContact OE2-NE 3.56Å; E1163-R1165 PolarHBondContact OE2-NE 3.4Å; E1163-R1165 IonicContact OE2-NH2 3.85Å; E1163-R1165 PolarHBondContact OE2-NH2 2.84Å
1164	R	28.3	Very low	30.2	Very low	182 Å²	182	136.8 Å²	136.8	69%	0.687	72%	0.717	S	S	*	*			cis	70.8	153.8	10.8	-98.7	176.4	-151.2	140.5	7.5	115.1
1165	R	26.6	Very low	30.1	Very low	188 Å²	188	137.9 Å²	137.9	71%	0.709	73%	0.725	S	S	*	*			cis	-138.3	161.9	13.1	-66.3	-174	-172.2	-129.4	-12.5	110.9	E1163	E1163-R1165 VanDerWaalsContact CD-NH2 3.34Å; E1163-R1165 IonicContact OE1-CZ 3.39Å; E1163-R1165 IonicContact OE1-NE 2.69Å; E1163-R1165 IonicContact OE1-NH2 3.8Å; E1163-R1165 PolarHBondContact OE1-NH2 3.26Å; E1163-R1165 IonicContact OE2-CZ 2.72Å; E1163-R1165 IonicContact OE2-NE 3.56Å; E1163-R1165 PolarHBondContact OE2-NE 3.4Å; E1163-R1165 IonicContact OE2-NH2 3.85Å; E1163-R1165 PolarHBondContact OE2-NH2 2.84Å
1166	D	26.9	Very low	30.1	Very low	127 Å²	127	136 Å²	136	68%	0.679	73%	0.727	S	S	*	*			cis	113.2	139.9	7.3	-170	27.7	0	0	0	115.5
1167	S	27	Very low	31.7	Very low	104 Å²	104	135.1 Å²	135.1	73%	0.727	73%	0.73	S	S	*	*			trans	67.7	153.3	175.7	74.3	0	0	0	0	120.2
1168	H	29.5	Very low	32.6	Very low	164 Å²	164	133.8 Å²	133.8	76%	0.759	73%	0.729	S	S	*	*			cis	-176.5	142.4	-39.1	-125.7	-76.6	0	0	0	110.4
1169	V	28.2	Very low	32.9	Very low	121 Å²	121	139.9 Å²	139.9	73%	0.733	74%	0.735	S	S	*	*			trans	57.3	151.8	139.5	152.3	0	0	0	0	120.1
1170	D	26	Very low	34	Very low	138 Å²	138	137.8 Å²	137.8	74%	0.738	73%	0.731	S	S	*	*			cis	-144.2	-151.2	10	-147.2	-46.4	0	0	0	113.2
1171	T	28.8	Very low	33.3	Very low	101 Å²	101	140.8 Å²	140.8	62%	0.62	73%	0.733	S	S	*	*			trans	-125.6	174	-155.8	56.4	0	0	0	0	117
1172	R	28.6	Very low	33.5	Very low	218 Å²	218	141.6 Å²	141.6	82%	0.823	73%	0.733	S	S	*	*			trans	96.8	103.5	150.3	-67.6	161.3	-173.9	-116.9	-1.9	123.4
1173	L	29.1	Very low	33.6	Very low	162 Å²	162	140.8 Å²	140.8	85%	0.848	73%	0.733	S	S	*	*				77.2	163	119.4	-69.7	173.3	0	0	0	122.1
1174	P	61.3	Low	33.8	Very low	110 Å²	110	140.8 Å²	140.8	71%	0.714	74%	0.744	S	S	*	*			trans	-115.4	-177.8	-146.1	45.9	-38.9	0	0	0	116.3
1175	P	43.4	Very low	33.8	Very low	131 Å²	131	138 Å²	138	85%	0.851	75%	0.753	S	S	*	*				-152.8	-166.2	97.6	41.3	-22.2	0	0	0	115.9
1176	G	26.1	Very low	33.8	Very low	67 Å²	67	133 Å²	133	69%	0.691	76%	0.759	S	S	*	*			trans	-132.4	-166.4	168.6	0	0	0	0	0	112.5
1177	P	60.4	Low	33.7	Very low	132 Å²	132	130.3 Å²	130.3	86%	0.857	76%	0.762	S	S	*	*			cis	-107.3	-101.9	3.9	25.1	-1.9	0	0	0	114.2
1178	P	43.1	Very low	33.8	Very low	115 Å²	115	132 Å²	132	75%	0.747	77%	0.767	S	S	*	*			cis	-129.9	-161.3	4.6	44.8	-25.3	0	0	0	116.1
1179	R	33.3	Very low	33.7	Very low	243 Å²	243	128.7 Å²	128.7	92%	0.917	76%	0.762	S	S	*	*			trans	-155.2	-176.2	172.5	-70.6	-167.8	172.5	-174	-2.8	109.4
1180	P	46.5	Very low	33.8	Very low	116 Å²	116	130.5 Å²	130.5	75%	0.753	76%	0.76	S	S	*	*			cis	-138.1	-147.4	0.8	44.2	-22.4	0	0	0	114.8
1181	K	27.6	Very low	33.9	Very low	170 Å²	170	130 Å²	130	74%	0.739	75%	0.754	S	S	*	*			trans	109.1	118	164.9	-65.8	-159.3	171.6	-168.6	0	117.6
1182	Q	30.8	Very low	33.9	Very low	141 Å²	141	133.6 Å²	133.6	66%	0.659	76%	0.763	S	S	*	*				78.2	143.7	76.4	-70.9	-173.4	-85.1	0	0	113.4
1183	D	28.4	Very low	33.9	Very low	130 Å²	130	130.3 Å²	130.3	70%	0.695	76%	0.762	S	S	*	*			cis	-172.9	169	-8.1	-97.1	-13.4	0	0	0	107.9
1184	S	29.6	Very low	34.9	Very low	96 Å²	96	127.9 Å²	127.9	67%	0.671	76%	0.756	S	S	*	*			cis	-169.4	-166.2	-18.7	62.4	0	0	0	0	109.5
1185	S	27.7	Very low	33.4	Very low	125 Å²	125	130.8 Å²	130.8	87%	0.874	76%	0.762	S	S	*	*			trans	67.7	154.6	-176.2	76	0	0	0	0	116
1186	G	26.8	Very low	32.6	Very low	81 Å²	81	130.4 Å²	130.4	84%	0.835	76%	0.762	S	S	*	*			cis	137	131.8	-3.3	0	0	0	0	0	111.2
1187	G	26.5	Very low	32.7	Very low	72 Å²	72	133.4 Å²	133.4	74%	0.742	77%	0.767	S	S	*	*			cis	177	-167.2	-5.5	0	0	0	0	0	111.8
1188	V	28.4	Very low	31.2	Very low	139 Å²	139	135.7 Å²	135.7	84%	0.842	77%	0.771	S	S	*	*			trans	79.9	98.6	156	-172.8	0	0	0	0	121.1
1189	S	28.2	Very low	30.3	Very low	94 Å²	94	133.3 Å²	133.3	66%	0.657	77%	0.768	S	S	*	*			trans	82.5	140.8	132.9	81.9	0	0	0	0	124.9
1190	K	29.3	Very low	30.9	Very low	159 Å²	159	127.6 Å²	127.6	69%	0.691	76%	0.762	S	S	*	*			trans	64.5	149.7	140.6	-75.8	179	168.1	-78.1	0	119.4
1191	E	28.1	Very low	30.1	Very low	129 Å²	129	128.8 Å²	128.8	60%	0.603	77%	0.767	S	S	*	*			cis	-166.8	163	-15.6	-124.1	165.6	-179.2	0	0	111.6
1192	H	29.3	Very low	30.3	Very low	176 Å²	176	124.5 Å²	124.5	82%	0.815	76%	0.763	S	S	*	*			trans	70.8	146.1	155.4	-79.2	76.4	0	0	0	123.2
1193	N	28.9	Very low	30.3	Very low	148 Å²	148	122.2 Å²	122.2	79%	0.791	77%	0.769	S	S	*	*			trans	-90.1	-172.8	170.3	-126.4	-16.3	0	0	0	109
1194	P	48.3	Very low	30.4	Very low	111 Å²	111	127.2 Å²	127.2	72%	0.721	78%	0.778	S	S	*	*			cis	-143.3	162.6	13.6	43.6	-24.2	0	0	0	119.1
1195	M	30	Very low	30.4	Very low	172 Å²	172	127.7 Å²	127.7	85%	0.847	78%	0.781	S	S	*	*			trans	40.6	116.8	130.5	-166.8	176.1	-179.2	0	0	122.4
1196	S	26.5	Very low	30.5	Very low	123 Å²	123	130.8 Å²	130.8	86%	0.86	77%	0.773	S	S	*	*				-169.6	156.1	130	27.2	0	0	0	0	114
1197	T	29.7	Very low	30.7	Very low	130 Å²	130	135.6 Å²	135.6	80%	0.798	77%	0.767	S	S	*	*			trans	-90.7	153.4	-169.8	46.6	0	0	0	0	115.7
1198	L	27.8	Very low	30.8	Very low	180 Å²	180	137.4 Å²	137.4	94%	0.942	76%	0.759	S	S	*	*			trans	-173.4	150.9	131.5	-99.6	158.5	0	0	0	111.7
1199	G	24.1	Very low	30.8	Very low	65 Å²	65	136.8 Å²	136.8	67%	0.67	75%	0.751	S	S	*	*			trans	-115	-145.4	175.1	0	0	0	0	0	111.9
1200	P	47.1	Very low	30.9	Very low	122 Å²	122	140.3 Å²	140.3	79%	0.792	76%	0.762	S	S	*	*			cis	-142.3	-147.8	-1.2	38.9	-15.3	0	0	0	113.8
1201	V	29.7	Very low	30.8	Very low	141 Å²	141	136.5 Å²	136.5	86%	0.855	77%	0.768	S	S	*	*			trans	82.2	135	170.8	-170.6	0	0	0	0	115.2
1202	A	32.3	Very low	30.8	Very low	81 Å²	81	135 Å²	135	67%	0.669	77%	0.771	S	S	*	*			cis	-137.3	149	5.7	0	0	0	0	0	110.9
1203	A	30.8	Very low	30.7	Very low	93 Å²	93	134.8 Å²	134.8	77%	0.769	77%	0.77	S	S	*	*				66.9	128.4	74.5	0	0	0	0	0	113.9
1204	R	30.6	Very low	30.8	Very low	235 Å²	235	138 Å²	138	89%	0.887	77%	0.771	S	S	*	*			cis	-144.9	151.6	2.9	-84	159.2	173.5	172.7	-2.9	107.8
1205	S	27.8	Very low	29.9	Very low	106 Å²	106	138.9 Å²	138.9	74%	0.741	77%	0.77	S	S	*	*				59.2	140.6	65.7	-118.8	0	0	0	0	114
1206	R	31.6	Very low	29.9	Very low	189 Å²	189	135 Å²	135	71%	0.713	76%	0.76	S	S	*	*			cis	-174.4	150.7	35.2	-145.7	178.5	-165.5	-175	5.9	112.6
1207	R	29.6	Very low	30	Very low	183 Å²	183	134 Å²	134	69%	0.691	75%	0.753	S	S	*	*			trans	66.8	166.9	145	-86.9	172.1	-176.3	-164.3	-1.3	120.3
1208	D	29.1	Very low	30.1	Very low	110 Å²	110	135.1 Å²	135.1	59%	0.588	75%	0.749	S	S	*	*			cis	-150.2	154.9	6.5	-118.2	-31.6	0	0	0	114
1209	N	28.7	Very low	30.2	Very low	125 Å²	125	136.7 Å²	136.7	67%	0.668	74%	0.742	S	S	*	*			trans	30.1	129.8	147.2	-64.9	-24.6	0	0	0	127.2
1210	L	29.8	Very low	30.5	Very low	169 Å²	169	138.7 Å²	138.7	89%	0.885	74%	0.742	S	S	*	*				52.2	135.6	123.5	-67.9	161	0	0	0	124.5
1211	G	26.7	Very low	29.7	Very low	79 Å²	79	139.6 Å²	139.6	81%	0.814	74%	0.739	S	S	*	*			trans	97.6	155.5	161.1	0	0	0	0	0	114.8
1212	S	28.2	Very low	29.7	Very low	96 Å²	96	140.4 Å²	140.4	67%	0.671	74%	0.738	S	S	*	*			cis	-162.5	153.2	-20.1	-170.9	0	0	0	0	108
1213	E	28.6	Very low	29.6	Very low	172 Å²	172	140.4 Å²	140.4	80%	0.804	74%	0.738	S	S	*	*			trans	63.2	169.1	155.6	-81.9	165.4	112.8	0	0	123
1214	R	30	Very low	29.6	Very low	215 Å²	215	144.7 Å²	144.7	81%	0.811	74%	0.742	S	S	*	*			trans	-55.3	167.1	-178.5	-50.7	165.7	173.8	158	-4.2	112.7
1215	D	29.7	Very low	29.8	Very low	130 Å²	130	145.6 Å²	145.6	70%	0.695	76%	0.756	S	S	*	*			cis	-165.7	172	32.9	-144.4	-55.9	0	0	0	113.2
1216	S	29.1	Very low	29.9	Very low	90 Å²	90	147.6 Å²	147.6	63%	0.629	76%	0.757	S	S	*	*			trans	13.2	120.1	157.6	36.5	0	0	0	0	123.7
1217	S	29.6	Very low	29.8	Very low	103 Å²	103	145.4 Å²	145.4	72%	0.72	76%	0.759	S	S	*	*				109.9	155.1	112.4	77	0	0	0	0	122.6
1218	H	30.8	Very low	29.8	Very low	154 Å²	154	143.3 Å²	143.3	71%	0.713	76%	0.763	S	S	*	*			trans	77.1	122.5	163.6	-83	-73.3	0	0	0	121.9
1219	R	31.2	Very low	29.8	Very low	213 Å²	213	145.3 Å²	145.3	80%	0.804	77%	0.773	S	S	*	*				38.1	137.9	127	-77.5	-171.2	175.2	173.9	-3.2	118.6
1220	T	29.6	Very low	29.9	Very low	107 Å²	107	146.6 Å²	146.6	66%	0.656	78%	0.78	S	S	*	*			cis	-170.5	165.8	27.8	-8.2	0	0	0	0	112.8
1221	L	30.5	Very low	29.9	Very low	141 Å²	141	145.1 Å²	145.1	74%	0.738	77%	0.773	S	S	*	*			trans	66.1	139.5	143.8	-77.2	162.9	0	0	0	121.6
1222	L	29.4	Very low	30.1	Very low	157 Å²	157	149.8 Å²	149.8	82%	0.822	77%	0.77	S	S	*	*			trans	69.4	144.3	148.9	-68.1	164.2	0	0	0	117.4
1223	A	29.8	Very low	30.3	Very low	82 Å²	82	153.9 Å²	153.9	68%	0.678	78%	0.777	S	S	*	*			cis	-148	-167.6	-2.8	0	0	0	0	0	111.3
1224	H	30.9	Very low	30.4	Very low	182 Å²	182	152.4 Å²	152.4	84%	0.843	78%	0.775	S	S	*	*			trans	-44.5	159.6	168	-62	-77.3	0	0	0	114.3
1225	Q	34.3	Very low	30.4	Very low	255 Å²	255	146.7 Å²	146.7	100%	1.192	77%	0.772	S	S	*	*			cis	-146.4	0	23.3	-160.3	166.4	5.4	0	0	113.5

Retrieved 1,225 of 1,225 residues in 474 ms (Link to these results)

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