A0A087YE57_POEFO Loading...

Zinc finger protein 526

AlphaFold DB , UniProt , Accession A0A087YE57, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,036 aa.

						>A0A087YE57_POEFO|A0A087YE57
MMAEGGQEEAEDMYVEHQYMCSECQQLFGTLEEVLIHQQIHTAQENDAEAAGFGQGQHYQCLECGSLLVNAEELLQHQEMHMREAGMEVEQQEVCEVQELEQASSEAQGPVQYQCLDCLALFDSPDTWLEHRRTHSRSSTHSNTQASNEYVLQADGSITPLNNMQNFVLSEQQAGEILAQVLSHQQQQKKTRRSSSKPAGSTRSYLLPPVTPAPGSATMHLQILTAQALADGSTVPSQHRSKQPTLLSALGQSSSAKLEVLENGIQRLEFRLAPGAGQQQQQSAELVVIHPYECSECALLFHTPEDFLQHQGEHFLGQDKETGGPGVMSGLEEMRGSEEALLKSQDLRSRAAEMKALGLAKHLRCELCDRAFTSINRLAAHKRVHEEGTHECPECGKIFKKALSLQTHIGTHSGVARHLCVDCGNGFTTEMTLIMHRKVHVADPFHRCQICNKTFTNMTKYLYHRRTHLDQEPSGTATHIFVASPPQRASASALAILQRAREKKKPQIDEAAINEQAPLTEEEMEQLRNPQSESPRTLDAEEATEKKDDVEMEAAHEHQQVMTKDVAISGSVDEAASGNAASSSSKGPFSCRSCSKTFPSQLLLAHHRSKSHTPQRRFVCGVCGKFFKKQIHAQNHMRIHTGEKPFQCSDCGKTFSLLANLMRHTLIHSGVRPYRCDVCYRSFSQSSNLRQHSLLHSSAPKLACPECPATFRWPNKLAAHRFTQHPGAPAPFPCPQCEAGFLTKSQRESHCAEQHPTPVQNPSEPSTSTTVIESSGDLTSCGKGALDCNICGRKLNSPSNLRLHRLSHFSLGRGRPQRSAGKRPKAHQCPICCKLFVSSSAVALHQRVHTGERPFPCQVCGKRFRQSTHLREHMRVHTGERPFRCETCGKGFIQSMHLTEHRRTHTGERPHVCPLCGKAFKTFSNLRNHKKTHARQQRLDEEAAAAAEAGSAVAVVDASVVDLANGQTQLIQIQTSDLQQTQGTPTIMCNEFGETIAIIETSEGGTLPLEQALEIYQRALENGLAADPAADGLQLL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.9	Very low	31.9	Very low	233 Å²	233	156.8 Å²	156.8	100%	1.148	88%	0.883	S	S	*	*				0	105.4	0	-67.8	167.5	-175.3	0	0	104.8
2	M	29	Very low	31.6	Very low	175 Å²	175	156.8 Å²	156.8	86%	0.862	88%	0.879	S	S	*	*			cis	49.5	97.3	41.5	-51.4	-56.1	-165.8	0	0	108.7
3	A	31.7	Very low	31.5	Very low	91 Å²	91	157 Å²	157	75%	0.752	87%	0.872	S	S	*	*				73.6	131.7	82	0	0	0	0	0	110.2
4	E	32.3	Very low	31.6	Very low	189 Å²	189	161.6 Å²	161.6	88%	0.883	87%	0.872	S	S	*	*			cis	-137.8	176	15.9	-64.5	175.9	124	0	0	112.6
5	G	30.3	Very low	31.6	Very low	83 Å²	83	157.2 Å²	157.2	86%	0.856	85%	0.853	S	S	*	*			trans	53.5	133.2	137.2	0	0	0	0	0	121.7
6	G	31.8	Very low	32.2	Very low	78 Å²	78	156.4 Å²	156.4	80%	0.804	84%	0.841	S	S	*	*			cis	133.7	70.1	0.6	0	0	0	0	0	112.9
7	Q	30.1	Very low	32.7	Very low	196 Å²	196	155.5 Å²	155.5	92%	0.916	83%	0.831	S	S	*	*			trans	-153.6	104.1	172.1	-105.3	174.3	-6.9	0	0	109.7
8	E	33.4	Very low	34.1	Very low	197 Å²	197	152.6 Å²	152.6	92%	0.921	81%	0.811	S	S	*	*			trans	-124.6	148.4	154.1	-75.6	-167.6	138.8	0	0	107.4	A10	E8-A10 PolarHBondContact O-N 3.12Å
9	E	35.9	Very low	35.6	Very low	202 Å²	202	150.1 Å²	150.1	94%	0.944	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-78.9	119.3	-172.7	-65.7	161.9	147.3	0	0	109.6
10	A	32.7	Very low	36.4	Very low	89 Å²	89	148.3 Å²	148.3	74%	0.736	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-101.6	122.7	169.8	0	0	0	0	0	109	E8 D12	E8-A10 PolarHBondContact O-N 3.12Å; A10-D12 PolarHBondContact O-N 3.48Å
11	E	32.6	Very low	37.9	Very low	192 Å²	192	141.2 Å²	141.2	90%	0.897	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-71.5	118.1	169.5	-63.4	175.2	126.7	0	0	108.3	M13	E11-M13 VanDerWaalsContact C-N 3.27Å; E11-M13 PolarHBondContact O-N 3.43Å
12	D	29.1	Very low	39.3	Very low	156 Å²	156	134.1 Å²	134.1	83%	0.834	72%	0.715	S	S	*	*			trans	-68.5	85.3	176	-89.9	-38.2	0	0	0	110.1	A10 Y14	A10-D12 PolarHBondContact O-N 3.48Å; D12-Y14 VanDerWaalsContact C-N 3.32Å; D12-Y14 PolarHBondContact O-N 3.32Å
13	M	29.1	Very low	41.1	Very low	160 Å²	160	131 Å²	131	79%	0.788	70%	0.698	S	S	*	*			trans	-69	88.4	175.6	-171.2	-174.6	74.2	0	0	109.6	E11 V15	E11-M13 VanDerWaalsContact C-N 3.27Å; E11-M13 PolarHBondContact O-N 3.43Å; M13-V15 HydrophobicContact CE-CG2 4.35Å; M13-V15 PolarHBondContact O-N 3.48Å
14	Y	33.4	Very low	43	Very low	221 Å²	221	128.7 Å²	128.7	87%	0.867	68%	0.676	S	S	*	*			trans	-57.8	107.4	-179.6	-137.9	-96.1	0	0	0	110.6	D12 E16	D12-Y14 VanDerWaalsContact C-N 3.32Å; D12-Y14 PolarHBondContact O-N 3.32Å; Y14-E16 PolarHBondContact O-N 3.5Å; Y14-E16 VanDerWaalsContact O-N 3.09Å
15	V	31.6	Very low	44.4	Very low	96 Å²	96	126.5 Å²	126.5	58%	0.582	67%	0.666	S	S	*	*			trans	-80.1	93.6	174.5	-178.8	0	0	0	0	108.4	M13 H17	M13-V15 HydrophobicContact CE-CG2 4.35Å; M13-V15 PolarHBondContact O-N 3.48Å; V15-H17 PolarHBondContact O-N 2.72Å; V15-H17 PolarHBondContact O-ND1 3.43Å
16	E	41.9	Very low	46	Very low	144 Å²	144	127.9 Å²	127.9	67%	0.673	65%	0.65	S	S	*	*			trans	-59	113.2	170.1	-165.9	172.4	-112.3	0	0	109.2	Y14 Q18	Y14-E16 PolarHBondContact O-N 3.5Å; Y14-E16 VanDerWaalsContact O-N 3.09Å; E16-Q18 PolarHBondContact O-N 3.29Å
17	H	40.5	Very low	47.2	Very low	142 Å²	142	128.8 Å²	128.8	66%	0.657	64%	0.636	S	S	*	*			trans	-78.6	90.4	-173.3	-80.4	56.3	0	0	0	110.3	V15 Y19	V15-H17 PolarHBondContact O-N 2.72Å; V15-H17 PolarHBondContact O-ND1 3.43Å; H17-Y19 VanDerWaalsContact O-CD2 3.31Å; H17-Y19 WeakPolarHBondContact O-CD2 3.45Å; H17-Y19 WeakPolarHBondContact O-CE2 3.32Å
18	Q	57.6	Low	49.1	Very low	103 Å²	103	121.4 Å²	121.4	48%	0.481	60%	0.601	S	S	.	*	P	Polyproline II helix	trans	-76.8	126.5	176.2	-64.2	-179.4	-1	0	0	111	E16 L27 F28	E16-Q18 PolarHBondContact O-N 3.29Å; Q18-L27 HydrophobicContact CB-CB 4.18Å; Q18-L27 HydrophobicContact CB-CD2 4.08Å; Q18-F28 CarbonylContact C-O 3.5Å; Q18-F28 VanDerWaalsContact CA-O 3.28Å; Q18-F28 WeakPolarHBondContact CA-O 3.26Å
19	Y	62.1	Low	50.2	Low	105 Å²	105	114.2 Å²	114.2	41%	0.412	58%	0.58	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-88.4	134.2	180	-62.3	-94.9	0	0	0	109.7	H17 L27 F28 L31 V34	H17-Y19 VanDerWaalsContact O-CD2 3.31Å; H17-Y19 WeakPolarHBondContact O-CD2 3.45Å; H17-Y19 WeakPolarHBondContact O-CE2 3.32Å; Y19-L27 WeakPolarHBondContact O-CA 3.49Å; Y19-F28 PolarHBondContact N-O 3.43Å; Y19-F28 PolarHBondContact O-N 3.37Å; Y19-L31 HydrophobicContact CD1-CB 4.17Å; Y19-L31 HydrophobicContact CD1-CD1 4.02Å; Y19-L31 HydrophobicContact CE1-CB 4.12Å; Y19-L31 HydrophobicContact CE1-CD1 4.42Å; Y19-L31 HydrophobicContact CG-CB 4.43Å; Y19-V34 WeakPolarHBondContact O-CG2 3.4Å
20	M	51.2	Low	51.8	Low	114 Å²	114	107.8 Å²	107.8	56%	0.562	55%	0.554	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-103.6	128.3	-175.3	-166.9	171.4	62.7	0	0	111.6	S22 Q25 Q26 L27	M20-S22 PolarHBondContact O-N 3.42Å; M20-Q25 HydrophobicContact CG-CB 4.49Å; M20-Q25 HydrophobicContact SD-CB 4.13Å; M20-Q25 HydrophobicContact SD-CG 4.48Å; M20-Q26 WeakPolarHBondContact CA-O 3.35Å; M20-L27 HydrophobicContact CB-CD2 3.69Å; M20-L27 HydrophobicContact CG-CD2 4.01Å; M20-L27 HydrophobicContact SD-CD2 4.48Å
21	C	69.4	Low	53	Low	0 Å²	0	108.1 Å²	108.1	0%	0	54%	0.543	C	S	.	.	P	Polyproline II helix	trans	-66.4	127.6	168.3	175.9	0	0	0	0	110.1	E23 C24 Q25 Q26 F28 V34	C21-E23 VanDerWaalsContact C-N 3.29Å; C21-E23 PolarHBondContact O-N 3.2Å; C21-C24 VanDerWaalsContact CB-SG 3.52Å; C21-Q25 WeakPolarHBondContact O-CA 3.35Å; C21-Q25 PolarHBondContact O-N 3.42Å; C21-Q26 PolarHBondContact N-O 3.48Å; C21-F28 HydrophobicContact CB-CE2 4.18Å; C21-V34 HydrophobicContact CB-CG1 4.25Å
22	S	60.5	Low	54.6	Low	84 Å²	84	105.9 Å²	105.9	59%	0.587	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-25.3	-175.9	50.3	0	0	0	0	114.2	M20 Q38	M20-S22 PolarHBondContact O-N 3.42Å; S22-Q38 PolarHBondContact OG-NE2 3.25Å
23	E	65.4	Low	56.3	Low	109 Å²	109	102.8 Å²	102.8	51%	0.509	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-42.4	-173.5	-68.3	162.5	148.7	0	0	112.6	C21 Q38 H41	C21-E23 VanDerWaalsContact C-N 3.29Å; C21-E23 PolarHBondContact O-N 3.2Å; E23-Q38 PolarHBondContact OE2-NE2 3.46Å; E23-H41 WeakPolarHBondContact OE2-CB 3.42Å; E23-H41 IonicContact OE2-CD2 3.28Å; E23-H41 PolarHBondContact OE2-CD2 2.98Å; E23-H41 VanDerWaalsContact OE2-CD2 3.28Å; E23-H41 IonicContact OE2-CG 3.59Å
24	C	71.7	Confident	58.4	Low	43 Å²	43	95.5 Å²	95.5	29%	0.291	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	-8.4	-177.1	72.8	0	0	0	0	114.7	C21 Q26 H37	C21-C24 VanDerWaalsContact CB-SG 3.52Å; C24-Q26 PolarHBondContact O-N 3.03Å; C24-Q26 VanDerWaalsContact O-N 3.16Å; C24-H37 PolarHBondContact SG-NE2 3.42Å
25	Q	61.3	Low	60.1	Low	143 Å²	143	89.5 Å²	89.5	67%	0.668	46%	0.46	S	S	*	.			trans	58.9	18.8	-178.3	-56.8	-179	10.6	0	0	115.3	M20 C21	M20-Q25 HydrophobicContact CG-CB 4.49Å; M20-Q25 HydrophobicContact SD-CB 4.13Å; M20-Q25 HydrophobicContact SD-CG 4.48Å; C21-Q25 WeakPolarHBondContact O-CA 3.35Å; C21-Q25 PolarHBondContact O-N 3.42Å
26	Q	64.5	Low	61.9	Low	111 Å²	111	89.5 Å²	89.5	52%	0.519	46%	0.456	S	S	.	.			trans	-75.5	148.5	169	-65.6	-171.3	2.5	0	0	111.4	M20 C21 C24 F28	M20-Q26 WeakPolarHBondContact CA-O 3.35Å; C21-Q26 PolarHBondContact N-O 3.48Å; C24-Q26 PolarHBondContact O-N 3.03Å; C24-Q26 VanDerWaalsContact O-N 3.16Å; Q26-F28 HydrophobicContact CB-CE2 3.63Å; Q26-F28 HydrophobicContact CB-CZ 3.93Å
27	L	57.3	Low	63	Low	97 Å²	97	84.5 Å²	84.5	51%	0.508	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	134.7	-176.1	-72.3	167	0	0	0	110.5	Q18 Y19 M20	Q18-L27 HydrophobicContact CB-CB 4.18Å; Q18-L27 HydrophobicContact CB-CD2 4.08Å; Y19-L27 WeakPolarHBondContact O-CA 3.49Å; M20-L27 HydrophobicContact CB-CD2 3.69Å; M20-L27 HydrophobicContact CG-CD2 4.01Å; M20-L27 HydrophobicContact SD-CD2 4.48Å
28	F	69.9	Low	64	Low	42 Å²	42	80 Å²	80	18%	0.184	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	156.3	-175.6	-60.7	-93.2	0	0	0	110.9	Q18 Y19 C21 Q26 E33 V34 H37	Q18-F28 CarbonylContact C-O 3.5Å; Q18-F28 VanDerWaalsContact CA-O 3.28Å; Q18-F28 WeakPolarHBondContact CA-O 3.26Å; Y19-F28 PolarHBondContact N-O 3.43Å; Y19-F28 PolarHBondContact O-N 3.37Å; C21-F28 HydrophobicContact CB-CE2 4.18Å; Q26-F28 HydrophobicContact CB-CE2 3.63Å; Q26-F28 HydrophobicContact CB-CZ 3.93Å; F28-E33 HydrophobicContact CB-CB 3.92Å; F28-E33 HydrophobicContact CD1-CB 4.06Å; F28-E33 HydrophobicContact CG-CB 4.26Å; F28-V34 HydrophobicContact CB-CG2 3.82Å; F28-V34 HydrophobicContact CD2-CG2 3.8Å; F28-V34 HydrophobicContact CG-CG2 4.11Å; F28-H37 HydrophobicContact CE1-CB 4.36Å; F28-H37 HydrophobicContact CE2-CB 4.34Å; F28-H37 AromaticContact CE2-CD2 3.94Å; F28-H37 HydrophobicContact CZ-CB 3.96Å; F28-H37 AromaticContact CZ-CD2 3.72Å; F28-H37 AromaticContact CZ-CE1 3.86Å; F28-H37 AromaticContact CZ-CG 3.5Å; F28-H37 AromaticContact CZ-ND1 3.6Å; F28-H37 AromaticContact CZ-NE2 3.94Å
29	G	55.9	Low	64.2	Low	46 Å²	46	81.1 Å²	81.1	47%	0.474	42%	0.417	S	S	.	.	S	Bend	trans	-75.2	-25.4	-174.8	0	0	0	0	0	113.7	E33	G29-E33 PolarHBondContact N-OE2 3.48Å; G29-E33 VanDerWaalsContact N-OE2 3.1Å
30	T	69.3	Low	64.2	Low	66 Å²	66	80.9 Å²	80.9	41%	0.405	42%	0.422	S	S	.	.	S	Bend	trans	-134.9	156.4	-176.3	65	0	0	0	0	112.6	E32 E33 V34	T30-E32 VanDerWaalsContact C-N 3.27Å; T30-E32 PolarHBondContact O-N 3.27Å; T30-E33 PolarHBondContact N-OE2 2.8Å; T30-E33 PolarHBondContact O-N 3.33Å; T30-E33 VanDerWaalsContact OG1-CD 3.24Å; T30-E33 WeakPolarHBondContact OG1-CG 3.41Å; T30-E33 PolarHBondContact OG1-N 3.08Å; T30-E33 PolarHBondContact OG1-OE2 2.87Å; T30-V34 PolarHBondContact O-N 3.14Å
31	L	59.8	Low	64.2	Low	96 Å²	96	78.4 Å²	78.4	50%	0.503	41%	0.408	S	S	.	.	H	α-helix	trans	-65.8	-30.7	175.6	-176.1	62.1	0	0	0	112.5	Y19 V34 L35	Y19-L31 HydrophobicContact CD1-CB 4.17Å; Y19-L31 HydrophobicContact CD1-CD1 4.02Å; Y19-L31 HydrophobicContact CE1-CB 4.12Å; Y19-L31 HydrophobicContact CE1-CD1 4.42Å; Y19-L31 HydrophobicContact CG-CB 4.43Å; L31-V34 PolarHBondContact O-N 3.39Å; L31-L35 HydrophobicContact CG-CD1 4.09Å; L31-L35 WeakPolarHBondContact O-CG 3.44Å; L31-L35 PolarHBondContact O-N 3.47Å
32	E	65.7	Low	63.5	Low	145 Å²	145	82.5 Å²	82.5	68%	0.678	43%	0.434	S	S	*	.	H	α-helix	trans	-67.4	-41.4	179	-169.8	166.9	-156.2	0	0	111.6	T30 V34 L35 I36	T30-E32 VanDerWaalsContact C-N 3.27Å; T30-E32 PolarHBondContact O-N 3.27Å; E32-V34 PolarHBondContact O-N 3.29Å; E32-L35 PolarHBondContact O-N 3.47Å; E32-I36 HydrophobicContact CG-CD1 4.06Å; E32-I36 VanDerWaalsContact O-CG1 3.31Å; E32-I36 WeakPolarHBondContact O-CG1 3.48Å; E32-I36 PolarHBondContact O-N 3.08Å
33	E	63.8	Low	62.8	Low	91 Å²	91	81.3 Å²	81.3	43%	0.425	43%	0.429	S	S	.	.	H	α-helix	trans	-60	-41.5	172.1	-71.8	164.6	137.8	0	0	112.4	F28 G29 T30 I36 H37	F28-E33 HydrophobicContact CB-CB 3.92Å; F28-E33 HydrophobicContact CD1-CB 4.06Å; F28-E33 HydrophobicContact CG-CB 4.26Å; G29-E33 PolarHBondContact N-OE2 3.48Å; G29-E33 VanDerWaalsContact N-OE2 3.1Å; T30-E33 PolarHBondContact N-OE2 2.8Å; T30-E33 PolarHBondContact O-N 3.33Å; T30-E33 VanDerWaalsContact OG1-CD 3.24Å; T30-E33 WeakPolarHBondContact OG1-CG 3.41Å; T30-E33 PolarHBondContact OG1-N 3.08Å; T30-E33 PolarHBondContact OG1-OE2 2.87Å; E33-I36 PolarHBondContact O-N 3.19Å; E33-H37 VanDerWaalsContact O-CB 3.3Å; E33-H37 WeakPolarHBondContact O-CB 3.26Å; E33-H37 PolarHBondContact O-N 3.09Å
34	V	73.6	Confident	61.7	Low	8 Å²	8	83.3 Å²	83.3	5%	0.048	44%	0.438	C	S	.	.	H	α-helix	trans	-63.2	-44.3	176.2	178.7	0	0	0	0	111.3	Y19 C21 F28 T30 L31 E32 H37 Q38	Y19-V34 WeakPolarHBondContact O-CG2 3.4Å; C21-V34 HydrophobicContact CB-CG1 4.25Å; F28-V34 HydrophobicContact CB-CG2 3.82Å; F28-V34 HydrophobicContact CD2-CG2 3.8Å; F28-V34 HydrophobicContact CG-CG2 4.11Å; T30-V34 PolarHBondContact O-N 3.14Å; L31-V34 PolarHBondContact O-N 3.39Å; E32-V34 PolarHBondContact O-N 3.29Å; V34-H37 PolarHBondContact O-N 3.34Å; V34-Q38 VanDerWaalsContact O-CB 3.3Å; V34-Q38 WeakPolarHBondContact O-CB 3.48Å; V34-Q38 PolarHBondContact O-N 3.31Å
35	L	68.3	Low	60.2	Low	94 Å²	94	89.6 Å²	89.6	49%	0.492	46%	0.464	S	S	.	.	H	α-helix	trans	-67.7	-37.6	-179.1	-69.4	166.1	0	0	0	111.9	L31 E32 Q39	L31-L35 HydrophobicContact CG-CD1 4.09Å; L31-L35 WeakPolarHBondContact O-CG 3.44Å; L31-L35 PolarHBondContact O-N 3.47Å; E32-L35 PolarHBondContact O-N 3.47Å; L35-Q39 WeakPolarHBondContact O-CG 3.35Å; L35-Q39 PolarHBondContact O-N 2.76Å
36	I	69.6	Low	59.3	Low	96 Å²	96	89.1 Å²	89.1	49%	0.492	47%	0.465	S	S	.	.	H	α-helix	trans	-66.2	-41.1	172.5	-67.7	165.8	0	0	0	110.7	E32 E33 Q39	E32-I36 HydrophobicContact CG-CD1 4.06Å; E32-I36 VanDerWaalsContact O-CG1 3.31Å; E32-I36 WeakPolarHBondContact O-CG1 3.48Å; E32-I36 PolarHBondContact O-N 3.08Å; E33-I36 PolarHBondContact O-N 3.19Å; I36-Q39 PolarHBondContact O-N 3.37Å
37	H	66.5	Low	58.1	Low	39 Å²	39	91.5 Å²	91.5	18%	0.181	48%	0.482	C	S	.	.	H	α-helix	trans	-66.2	-41.2	177.3	-170.8	79.7	0	0	0	112.3	C24 F28 E33 V34 Q39 I40 H41	C24-H37 PolarHBondContact SG-NE2 3.42Å; F28-H37 HydrophobicContact CE1-CB 4.36Å; F28-H37 HydrophobicContact CE2-CB 4.34Å; F28-H37 AromaticContact CE2-CD2 3.94Å; F28-H37 HydrophobicContact CZ-CB 3.96Å; F28-H37 AromaticContact CZ-CD2 3.72Å; F28-H37 AromaticContact CZ-CE1 3.86Å; F28-H37 AromaticContact CZ-CG 3.5Å; F28-H37 AromaticContact CZ-ND1 3.6Å; F28-H37 AromaticContact CZ-NE2 3.94Å; E33-H37 VanDerWaalsContact O-CB 3.3Å; E33-H37 WeakPolarHBondContact O-CB 3.26Å; E33-H37 PolarHBondContact O-N 3.09Å; V34-H37 PolarHBondContact O-N 3.34Å; H37-Q39 VanDerWaalsContact C-N 3.29Å; H37-Q39 PolarHBondContact O-N 3.38Å; H37-I40 WeakPolarHBondContact O-CB 3.32Å; H37-I40 PolarHBondContact O-N 2.88Å; H37-H41 AromaticContact NE2-NE2 3.97Å
38	Q	61.1	Low	57.2	Low	48 Å²	48	90.9 Å²	90.9	22%	0.224	49%	0.491	C	S	.	.	H	α-helix	trans	-64	-32.1	177.4	-167.1	121.9	78.8	0	0	112.2	S22 E23 V34 I40 H41 T42	S22-Q38 PolarHBondContact OG-NE2 3.25Å; E23-Q38 PolarHBondContact OE2-NE2 3.46Å; V34-Q38 VanDerWaalsContact O-CB 3.3Å; V34-Q38 WeakPolarHBondContact O-CB 3.48Å; V34-Q38 PolarHBondContact O-N 3.31Å; Q38-I40 PolarHBondContact O-N 3.09Å; Q38-H41 PolarHBondContact O-N 3.02Å; Q38-T42 PolarHBondContact O-N 3.3Å
39	Q	61.6	Low	55.5	Low	127 Å²	127	98.7 Å²	98.7	59%	0.593	53%	0.528	S	S	*	.	H	α-helix	trans	-62.3	-29	172.6	-73.5	169.7	24.2	0	0	113	L35 I36 H37 T42 A43	L35-Q39 WeakPolarHBondContact O-CG 3.35Å; L35-Q39 PolarHBondContact O-N 2.76Å; I36-Q39 PolarHBondContact O-N 3.37Å; H37-Q39 VanDerWaalsContact C-N 3.29Å; H37-Q39 PolarHBondContact O-N 3.38Å; Q39-T42 WeakPolarHBondContact CA-OG1 3.22Å; Q39-T42 PolarHBondContact O-N 3.5Å; Q39-T42 PolarHBondContact O-OG1 3.2Å; Q39-A43 PolarHBondContact O-N 3.39Å; Q39-A43 VanDerWaalsContact O-N 3.15Å
40	I	61.3	Low	54.6	Low	100 Å²	100	101.6 Å²	101.6	51%	0.513	55%	0.547	S	S	.	.	H	α-helix	trans	-67.5	-38.3	177.9	-56.2	173.6	0	0	0	110.9	H37 Q38 A43	H37-I40 WeakPolarHBondContact O-CB 3.32Å; H37-I40 PolarHBondContact O-N 2.88Å; Q38-I40 PolarHBondContact O-N 3.09Å; I40-A43 PolarHBondContact O-N 3.03Å
41	H	52.1	Low	52.9	Low	61 Å²	61	103.6 Å²	103.6	28%	0.282	57%	0.57	S	S	.	*	H	α-helix	trans	-63.6	-44	174.5	-73.1	-55.1	0	0	0	111.6	E23 H37 Q38 A43 Q44	E23-H41 WeakPolarHBondContact OE2-CB 3.42Å; E23-H41 IonicContact OE2-CD2 3.28Å; E23-H41 PolarHBondContact OE2-CD2 2.98Å; E23-H41 VanDerWaalsContact OE2-CD2 3.28Å; E23-H41 IonicContact OE2-CG 3.59Å; H37-H41 AromaticContact NE2-NE2 3.97Å; Q38-H41 PolarHBondContact O-N 3.02Å; H41-A43 PolarHBondContact O-N 3.17Å; H41-Q44 PolarHBondContact O-N 3.35Å
42	T	53.8	Low	51.6	Low	87 Å²	87	102.3 Å²	102.3	53%	0.534	58%	0.58	S	S	.	*	H	α-helix	trans	-66.8	-18.5	177.4	60	0	0	0	0	114.4	Q38 Q39	Q38-T42 PolarHBondContact O-N 3.3Å; Q39-T42 WeakPolarHBondContact CA-OG1 3.22Å; Q39-T42 PolarHBondContact O-N 3.5Å; Q39-T42 PolarHBondContact O-OG1 3.2Å
43	A	46.3	Very low	49.9	Very low	59 Å²	59	105.1 Å²	105.1	49%	0.488	59%	0.591	S	S	.	*	H	α-helix	trans	-77.5	-30.3	176.5	0	0	0	0	0	113.1	Q39 I40 H41 E45	Q39-A43 PolarHBondContact O-N 3.39Å; Q39-A43 VanDerWaalsContact O-N 3.15Å; I40-A43 PolarHBondContact O-N 3.03Å; H41-A43 PolarHBondContact O-N 3.17Å; A43-E45 VanDerWaalsContact C-N 3.29Å; A43-E45 PolarHBondContact O-N 2.97Å
44	Q	42.1	Very low	48.9	Very low	150 Å²	150	104.8 Å²	104.8	70%	0.701	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.1	-11.7	-172.6	-64.5	-156.4	-77.4	0	0	115	H41	H41-Q44 PolarHBondContact O-N 3.35Å
45	E	41	Very low	47.2	Very low	176 Å²	176	113.5 Å²	113.5	82%	0.822	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	-0.8	179.3	-62.9	-157.8	136.4	0	0	114.5	A43	A43-E45 VanDerWaalsContact C-N 3.29Å; A43-E45 PolarHBondContact O-N 2.97Å
46	N	41.1	Very low	46	Very low	132 Å²	132	111.8 Å²	111.8	71%	0.706	66%	0.657	S	S	*	*			trans	-123	15.1	-173	-75.2	-75.8	0	0	0	116.1	A48	N46-A48 PolarHBondContact O-N 3.5Å
47	D	40.1	Very low	44.9	Very low	162 Å²	162	114.1 Å²	114.1	87%	0.866	67%	0.666	S	S	*	*			trans	-79.4	60.7	172.2	-91.1	-35.3	0	0	0	112.5
48	A	38.9	Very low	44.3	Very low	84 Å²	84	117.9 Å²	117.9	69%	0.694	68%	0.684	S	S	*	*	S	Bend	trans	-145.2	118.7	171.1	0	0	0	0	0	112.6	N46	N46-A48 PolarHBondContact O-N 3.5Å
49	E	33.4	Very low	44	Very low	205 Å²	205	119.2 Å²	119.2	96%	0.958	69%	0.687	S	S	*	*			trans	60.9	97.2	170.9	-55.2	-159.1	150.9	0	0	118
50	A	36.7	Very low	43.7	Very low	107 Å²	107	118.5 Å²	118.5	88%	0.884	68%	0.684	S	S	*	*			trans	-94.7	127.4	171.4	0	0	0	0	0	112.8
51	A	33.4	Very low	43.6	Very low	108 Å²	108	113.8 Å²	113.8	89%	0.893	66%	0.659	S	S	*	*			trans	-173.5	126.6	143.7	0	0	0	0	0	114.2
52	G	32.2	Very low	43.8	Very low	69 Å²	69	119 Å²	119	71%	0.711	69%	0.688	S	S	*	*			trans	102.4	108.7	143.7	0	0	0	0	0	119.4
53	F	31.6	Very low	43.8	Very low	205 Å²	205	121.9 Å²	121.9	90%	0.899	70%	0.696	S	S	*	*			trans	56.7	84.4	150.6	-72.1	-86.3	0	0	0	119.8
54	G	42.7	Very low	44.5	Very low	84 Å²	84	121.7 Å²	121.7	87%	0.866	69%	0.69	S	S	*	*				58.3	87.5	124.4	0	0	0	0	0	118.1
55	Q	37.9	Very low	45.2	Very low	190 Å²	190	116.4 Å²	116.4	89%	0.888	68%	0.676	S	S	*	*			trans	-123.3	150.4	164.4	-62.4	-173.8	5	0	0	109.9
56	G	41.6	Very low	46.4	Very low	59 Å²	59	110.2 Å²	110.2	61%	0.608	65%	0.653	S	S	*	*			trans	-70.8	138.8	-178.4	0	0	0	0	0	112.1	H58	G56-H58 PolarHBondContact O-CD2 3.03Å; G56-H58 PolarHBondContact O-N 3.27Å
57	Q	48.1	Very low	47.2	Very low	144 Å²	144	109.5 Å²	109.5	67%	0.673	65%	0.648	S	S	*	*			trans	-70.6	110.9	172.2	-69.6	174.2	-22.1	0	0	109.2	Y59 V69	Q57-Y59 HydrophobicContact CB-CE2 3.79Å; Q57-Y59 WeakPolarHBondContact O-CD2 3.42Å; Q57-Y59 WeakPolarHBondContact O-CE2 3.4Å; Q57-Y59 PolarHBondContact OE1-OH 2.89Å; Q57-V69 VanDerWaalsContact O-O 3.13Å
58	H	52.7	Low	48.8	Very low	119 Å²	119	103.2 Å²	103.2	55%	0.551	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-95	127.9	173.1	-75.6	-76.9	0	0	0	110.5	G56 L68	G56-H58 PolarHBondContact O-CD2 3.03Å; G56-H58 PolarHBondContact O-N 3.27Å; H58-L68 CarbonylContact C-O 3.58Å; H58-L68 WeakPolarHBondContact CA-O 3.42Å; H58-L68 PolarHBondContact ND1-O 3.3Å
59	Y	56.3	Low	49.8	Very low	76 Å²	76	103 Å²	103	30%	0.298	60%	0.604	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-99.9	119.5	-173.3	-69.7	-97.5	0	0	0	109.5	Q57 L68 A71 L74	Q57-Y59 HydrophobicContact CB-CE2 3.79Å; Q57-Y59 WeakPolarHBondContact O-CD2 3.42Å; Q57-Y59 WeakPolarHBondContact O-CE2 3.4Å; Q57-Y59 PolarHBondContact OE1-OH 2.89Å; Y59-L68 PolarHBondContact N-O 3.16Å; Y59-L68 PolarHBondContact O-N 3.38Å; Y59-A71 HydrophobicContact CD1-CB 4.39Å; Y59-A71 HydrophobicContact CE1-CB 3.99Å; Y59-L74 HydrophobicContact CD1-CD2 4.39Å
60	Q	53.7	Low	51.3	Low	112 Å²	112	97.4 Å²	97.4	52%	0.523	58%	0.581	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-96.3	127.5	-179.9	-158.8	170.1	18.5	0	0	112.1	L62 G65 S66 L67	Q60-L62 PolarHBondContact O-N 3.46Å; Q60-G65 PolarHBondContact NE2-O 2.95Å; Q60-S66 WeakPolarHBondContact CA-O 3.32Å; Q60-L67 HydrophobicContact CB-CD2 3.8Å; Q60-L67 HydrophobicContact CG-CD2 3.82Å; Q60-L67 HydrophobicContact CG-CG 4.4Å
61	C	60.9	Low	52	Low	0 Å²	0	94.4 Å²	94.4	0%	0	56%	0.556	C	S	.	*	P	Polyproline II helix	trans	-76.6	119.8	170.3	-177.8	0	0	0	0	110.5	E63 C64 G65 S66 L74	C61-E63 VanDerWaalsContact C-N 3.34Å; C61-E63 PolarHBondContact O-N 3.15Å; C61-C64 VanDerWaalsContact CB-SG 3.58Å; C61-C64 VanDerWaalsContact SG-SG 3.65Å; C61-G65 VanDerWaalsContact O-CA 3.24Å; C61-G65 WeakPolarHBondContact O-CA 3.29Å; C61-G65 PolarHBondContact O-N 3.43Å; C61-S66 PolarHBondContact N-O 3.19Å; C61-L74 HydrophobicContact CB-CD1 3.67Å
62	L	56.2	Low	53.4	Low	170 Å²	170	96.4 Å²	96.4	89%	0.89	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-27.5	-176.2	-68.9	169.3	0	0	0	113.9	Q60	Q60-L62 PolarHBondContact O-N 3.46Å
63	E	54	Low	54.9	Low	149 Å²	149	97 Å²	97	70%	0.696	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-29.4	-178.7	-62.5	-172	122.1	0	0	113.5	C61 H81	C61-E63 VanDerWaalsContact C-N 3.34Å; C61-E63 PolarHBondContact O-N 3.15Å; E63-H81 IonicContact OE2-CD2 2.8Å; E63-H81 IonicContact OE2-CG 3.84Å
64	C	61	Low	56.6	Low	54 Å²	54	88.6 Å²	88.6	37%	0.365	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.3	-4.2	-173.1	73.9	0	0	0	0	114.6	C61 S66 H77	C61-C64 VanDerWaalsContact CB-SG 3.58Å; C61-C64 VanDerWaalsContact SG-SG 3.65Å; C64-S66 PolarHBondContact O-N 2.95Å; C64-S66 VanDerWaalsContact SG-CB 3.54Å; C64-S66 PolarHBondContact SG-OG 2.87Å; C64-H77 PolarHBondContact SG-NE2 3.39Å
65	G	55.6	Low	57.7	Low	40 Å²	40	90.3 Å²	90.3	41%	0.412	48%	0.484	S	S	.	.			trans	71.2	3.4	-179	0	0	0	0	0	115.7	Q60 C61	Q60-G65 PolarHBondContact NE2-O 2.95Å; C61-G65 VanDerWaalsContact O-CA 3.24Å; C61-G65 WeakPolarHBondContact O-CA 3.29Å; C61-G65 PolarHBondContact O-N 3.43Å
66	S	65.3	Low	59.3	Low	46 Å²	46	87.8 Å²	87.8	32%	0.322	47%	0.472	S	S	.	.			trans	-69.9	130.2	-175.6	-65.2	0	0	0	0	112.1	Q60 C61 C64	Q60-S66 WeakPolarHBondContact CA-O 3.32Å; C61-S66 PolarHBondContact N-O 3.19Å; C64-S66 PolarHBondContact O-N 2.95Å; C64-S66 VanDerWaalsContact SG-CB 3.54Å; C64-S66 PolarHBondContact SG-OG 2.87Å
67	L	58.5	Low	60.6	Low	117 Å²	117	86.8 Å²	86.8	61%	0.613	45%	0.452	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.1	121.5	171.6	-68.6	168.3	0	0	0	109.8	Q60	Q60-L67 HydrophobicContact CB-CD2 3.8Å; Q60-L67 HydrophobicContact CG-CD2 3.82Å; Q60-L67 HydrophobicContact CG-CG 4.4Å
68	L	74.2	Confident	61	Low	29 Å²	29	83.8 Å²	83.8	15%	0.152	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	163.4	-179.1	-57.9	170.5	0	0	0	109.1	H58 Y59 E73 L74 H77	H58-L68 CarbonylContact C-O 3.58Å; H58-L68 WeakPolarHBondContact CA-O 3.42Å; H58-L68 PolarHBondContact ND1-O 3.3Å; Y59-L68 PolarHBondContact N-O 3.16Å; Y59-L68 PolarHBondContact O-N 3.38Å; L68-E73 HydrophobicContact CB-CB 4.18Å; L68-E73 HydrophobicContact CD1-CB 4.49Å; L68-L74 HydrophobicContact CD1-CB 4.17Å; L68-L74 HydrophobicContact CD1-CD1 4.07Å; L68-H77 HydrophobicContact CD1-CB 3.71Å
69	V	60.1	Low	61.7	Low	79 Å²	79	81 Å²	81	48%	0.479	43%	0.425	S	S	.	.	S	Bend	trans	-98.2	-27.1	-170.8	-168.4	0	0	0	0	111.9	Q57 E73	Q57-V69 VanDerWaalsContact O-O 3.13Å; V69-E73 WeakPolarHBondContact CA-OE2 3.47Å; V69-E73 WeakPolarHBondContact CB-OE2 3.39Å; V69-E73 PolarHBondContact N-OE2 3.01Å
70	N	64.1	Low	62.4	Low	88 Å²	88	81 Å²	81	47%	0.471	43%	0.428	S	S	.	.	S	Bend	trans	-135	155.7	-178.3	-57.1	-73.1	0	0	0	112.8	E72 E73 L74	N70-E72 VanDerWaalsContact C-N 3.32Å; N70-E72 PolarHBondContact O-N 2.97Å; N70-E73 HydrophobicContact CB-CG 4.31Å; N70-E73 PolarHBondContact N-OE2 3.36Å; N70-E73 VanDerWaalsContact N-OE2 3.12Å; N70-E73 WeakPolarHBondContact O-CB 3.41Å; N70-E73 PolarHBondContact O-N 3.49Å; N70-E73 VanDerWaalsContact O-N 3.13Å; N70-L74 PolarHBondContact O-N 2.84Å
71	A	52.5	Low	62.9	Low	45 Å²	45	77.8 Å²	77.8	37%	0.372	41%	0.414	S	S	.	.	H	α-helix	trans	-62.1	-34.4	178.1	0	0	0	0	0	113.5	Y59 E73 L74 L75	Y59-A71 HydrophobicContact CD1-CB 4.39Å; Y59-A71 HydrophobicContact CE1-CB 3.99Å; A71-E73 VanDerWaalsContact C-N 3.33Å; A71-E73 PolarHBondContact O-N 3.13Å; A71-L74 PolarHBondContact O-N 3.41Å; A71-L75 PolarHBondContact O-N 3.31Å
72	E	61.3	Low	62.8	Low	149 Å²	149	82 Å²	82	70%	0.696	43%	0.434	S	S	*	.	H	α-helix	trans	-65	-34.8	174.3	-68.4	-174.2	122.5	0	0	112.5	N70 L74 L75 Q76	N70-E72 VanDerWaalsContact C-N 3.32Å; N70-E72 PolarHBondContact O-N 2.97Å; E72-L74 VanDerWaalsContact C-N 3.35Å; E72-L75 PolarHBondContact O-N 3.11Å; E72-Q76 WeakPolarHBondContact O-CG 3.32Å; E72-Q76 PolarHBondContact O-N 2.89Å
73	E	63.8	Low	63.1	Low	81 Å²	81	78.8 Å²	78.8	38%	0.379	41%	0.41	S	S	.	.	H	α-helix	trans	-66.7	-39.8	174.2	-63.2	179.3	146.3	0	0	110.5	L68 V69 N70 A71 H77	L68-E73 HydrophobicContact CB-CB 4.18Å; L68-E73 HydrophobicContact CD1-CB 4.49Å; V69-E73 WeakPolarHBondContact CA-OE2 3.47Å; V69-E73 WeakPolarHBondContact CB-OE2 3.39Å; V69-E73 PolarHBondContact N-OE2 3.01Å; N70-E73 HydrophobicContact CB-CG 4.31Å; N70-E73 PolarHBondContact N-OE2 3.36Å; N70-E73 VanDerWaalsContact N-OE2 3.12Å; N70-E73 WeakPolarHBondContact O-CB 3.41Å; N70-E73 PolarHBondContact O-N 3.49Å; N70-E73 VanDerWaalsContact O-N 3.13Å; A71-E73 VanDerWaalsContact C-N 3.33Å; A71-E73 PolarHBondContact O-N 3.13Å; E73-H77 WeakPolarHBondContact O-CB 3.39Å; E73-H77 PolarHBondContact O-N 2.88Å
74	L	68.3	Low	63.3	Low	30 Å²	30	79.1 Å²	79.1	16%	0.157	41%	0.412	C	S	.	.	H	α-helix	trans	-63.5	-43.9	175.1	-179.6	63.7	0	0	0	111.7	Y59 C61 L68 N70 A71 E72 H77 Q78	Y59-L74 HydrophobicContact CD1-CD2 4.39Å; C61-L74 HydrophobicContact CB-CD1 3.67Å; L68-L74 HydrophobicContact CD1-CB 4.17Å; L68-L74 HydrophobicContact CD1-CD1 4.07Å; N70-L74 PolarHBondContact O-N 2.84Å; A71-L74 PolarHBondContact O-N 3.41Å; E72-L74 VanDerWaalsContact C-N 3.35Å; L74-H77 PolarHBondContact O-N 3.03Å; L74-Q78 HydrophobicContact CD1-CG 4.3Å; L74-Q78 WeakPolarHBondContact O-CG 3.44Å; L74-Q78 PolarHBondContact O-N 3.17Å
75	L	66	Low	63	Low	119 Å²	119	80.2 Å²	80.2	62%	0.623	43%	0.425	S	S	*	.	H	α-helix	trans	-61.2	-48.6	176	-84.9	162.2	0	0	0	111.9	A71 E72 H77 Q78 E79	A71-L75 PolarHBondContact O-N 3.31Å; E72-L75 PolarHBondContact O-N 3.11Å; L75-H77 VanDerWaalsContact C-N 3.28Å; L75-H77 PolarHBondContact O-N 3.46Å; L75-Q78 PolarHBondContact O-N 2.83Å; L75-E79 WeakPolarHBondContact O-CB 3.31Å; L75-E79 PolarHBondContact O-N 3.1Å
76	Q	70.8	Confident	62.4	Low	137 Å²	137	81.2 Å²	81.2	64%	0.64	44%	0.435	S	S	*	.	H	α-helix	trans	-63.7	-33.6	175.8	-70.6	-177.7	15.2	0	0	112.4	E72 M80	E72-Q76 WeakPolarHBondContact O-CG 3.32Å; E72-Q76 PolarHBondContact O-N 2.89Å; Q76-M80 WeakPolarHBondContact O-CB 3.49Å; Q76-M80 PolarHBondContact O-N 2.85Å
77	H	68.3	Low	61.1	Low	39 Å²	39	84.1 Å²	84.1	18%	0.181	45%	0.445	C	S	.	.	H	α-helix	trans	-72.4	-35.2	177.2	-164.5	100.2	0	0	0	112.7	C64 L68 E73 L74 L75 M80 H81	C64-H77 PolarHBondContact SG-NE2 3.39Å; L68-H77 HydrophobicContact CD1-CB 3.71Å; E73-H77 WeakPolarHBondContact O-CB 3.39Å; E73-H77 PolarHBondContact O-N 2.88Å; L74-H77 PolarHBondContact O-N 3.03Å; L75-H77 VanDerWaalsContact C-N 3.28Å; L75-H77 PolarHBondContact O-N 3.46Å; H77-M80 WeakPolarHBondContact O-CB 3.28Å; H77-H81 AromaticContact CD2-CD2 3.6Å; H77-H81 AromaticContact CD2-NE2 3.21Å; H77-H81 PolarHBondContact CD2-NE2 3.27Å; H77-H81 AromaticContact NE2-CD2 3.89Å; H77-H81 AromaticContact NE2-CE1 3.95Å; H77-H81 AromaticContact NE2-NE2 3.01Å; H77-H81 PolarHBondContact NE2-NE2 2.96Å; H77-H81 PolarHBondContact O-CD2 3.31Å; H77-H81 PolarHBondContact O-N 3.1Å
78	Q	58	Low	60.1	Low	81 Å²	81	87.9 Å²	87.9	38%	0.379	46%	0.46	S	S	.	.	H	α-helix	trans	-72.6	-39.7	171.6	-71.1	178.8	7.7	0	0	111.5	L74 L75 M80 H81 M82	L74-Q78 HydrophobicContact CD1-CG 4.3Å; L74-Q78 WeakPolarHBondContact O-CG 3.44Å; L74-Q78 PolarHBondContact O-N 3.17Å; L75-Q78 PolarHBondContact O-N 2.83Å; Q78-M80 PolarHBondContact O-N 3.18Å; Q78-H81 PolarHBondContact O-N 2.81Å; Q78-H81 VanDerWaalsContact O-N 3.11Å; Q78-M82 VanDerWaalsContact O-CG 3.29Å; Q78-M82 WeakPolarHBondContact O-CG 3.33Å; Q78-M82 PolarHBondContact O-N 2.84Å
79	E	66.4	Low	58.5	Low	61 Å²	61	89.7 Å²	89.7	29%	0.285	47%	0.472	S	S	.	.	H	α-helix	trans	-62.6	-30.1	174.3	-157	-163.1	-164.7	0	0	111.8	L75 R83	L75-E79 WeakPolarHBondContact O-CB 3.31Å; L75-E79 PolarHBondContact O-N 3.1Å; E79-R83 WeakPolarHBondContact O-CG 3.31Å; E79-R83 PolarHBondContact O-N 2.86Å; E79-R83 IonicContact OE1-CZ 3.77Å; E79-R83 IonicContact OE1-NH1 3.87Å; E79-R83 IonicContact OE1-NH2 3.33Å; E79-R83 PolarHBondContact OE1-NH2 3.28Å; E79-R83 IonicContact OE2-CZ 3.39Å; E79-R83 IonicContact OE2-NH1 3.18Å; E79-R83 PolarHBondContact OE2-NH1 3.43Å; E79-R83 IonicContact OE2-NH2 2.68Å; E79-R83 PolarHBondContact OE2-NH2 3.34Å
80	M	72.1	Confident	57.3	Low	74 Å²	74	95 Å²	95	37%	0.365	49%	0.491	S	S	.	.	H	α-helix	trans	-63.7	-49.8	169.5	-178.4	-170.9	72	0	0	111.8	Q76 H77 Q78 M82 R83 E84	Q76-M80 WeakPolarHBondContact O-CB 3.49Å; Q76-M80 PolarHBondContact O-N 2.85Å; H77-M80 WeakPolarHBondContact O-CB 3.28Å; Q78-M80 PolarHBondContact O-N 3.18Å; M80-M82 VanDerWaalsContact C-N 3.34Å; M80-M82 PolarHBondContact O-N 2.98Å; M80-R83 PolarHBondContact O-N 3.2Å; M80-E84 PolarHBondContact O-N 2.87Å
81	H	64.4	Low	56	Low	46 Å²	46	97.5 Å²	97.5	21%	0.213	50%	0.5	C	S	.	.	H	α-helix	trans	-61.9	-40	176.6	-69.3	-57.5	0	0	0	112.1	E63 H77 Q78 R83 E84 A85	E63-H81 IonicContact OE2-CD2 2.8Å; E63-H81 IonicContact OE2-CG 3.84Å; H77-H81 AromaticContact CD2-CD2 3.6Å; H77-H81 AromaticContact CD2-NE2 3.21Å; H77-H81 PolarHBondContact CD2-NE2 3.27Å; H77-H81 AromaticContact NE2-CD2 3.89Å; H77-H81 AromaticContact NE2-CE1 3.95Å; H77-H81 AromaticContact NE2-NE2 3.01Å; H77-H81 PolarHBondContact NE2-NE2 2.96Å; H77-H81 PolarHBondContact O-CD2 3.31Å; H77-H81 PolarHBondContact O-N 3.1Å; Q78-H81 PolarHBondContact O-N 2.81Å; Q78-H81 VanDerWaalsContact O-N 3.11Å; H81-R83 VanDerWaalsContact C-N 3.33Å; H81-R83 PolarHBondContact O-N 2.92Å; H81-E84 PolarHBondContact O-N 3.21Å; H81-A85 WeakPolarHBondContact O-CB 3.39Å; H81-A85 PolarHBondContact O-N 3.49Å
82	M	57.4	Low	55.2	Low	88 Å²	88	104.6 Å²	104.6	43%	0.433	53%	0.525	S	S	.	.	H	α-helix	trans	-60.5	-39.2	174.8	-68.4	-79.9	-82.5	0	0	112.5	Q78 M80 G86 M87	Q78-M82 VanDerWaalsContact O-CG 3.29Å; Q78-M82 WeakPolarHBondContact O-CG 3.33Å; Q78-M82 PolarHBondContact O-N 2.84Å; M80-M82 VanDerWaalsContact C-N 3.34Å; M80-M82 PolarHBondContact O-N 2.98Å; M82-G86 PolarHBondContact O-N 3.46Å; M82-M87 HydrophobicContact CE-CE 3.58Å; M82-M87 PolarHBondContact O-N 3.39Å; M82-M87 HydrophobicContact SD-CE 3.43Å; M82-M87 WeakPolarHBondContact SD-CE 3.21Å
83	R	62.9	Low	53.8	Low	103 Å²	103	105.3 Å²	105.3	39%	0.389	53%	0.529	S	S	.	.	H	α-helix	trans	-71.2	-38.7	173.5	-74.8	-177.4	-177.6	108.4	6.8	112.9	E79 M80 H81 A85 G86	E79-R83 WeakPolarHBondContact O-CG 3.31Å; E79-R83 PolarHBondContact O-N 2.86Å; E79-R83 IonicContact OE1-CZ 3.77Å; E79-R83 IonicContact OE1-NH1 3.87Å; E79-R83 IonicContact OE1-NH2 3.33Å; E79-R83 PolarHBondContact OE1-NH2 3.28Å; E79-R83 IonicContact OE2-CZ 3.39Å; E79-R83 IonicContact OE2-NH1 3.18Å; E79-R83 PolarHBondContact OE2-NH1 3.43Å; E79-R83 IonicContact OE2-NH2 2.68Å; E79-R83 PolarHBondContact OE2-NH2 3.34Å; M80-R83 PolarHBondContact O-N 3.2Å; H81-R83 VanDerWaalsContact C-N 3.33Å; H81-R83 PolarHBondContact O-N 2.92Å; R83-A85 VanDerWaalsContact C-N 3.33Å; R83-G86 PolarHBondContact O-N 3.31Å; R83-G86 VanDerWaalsContact O-N 3.08Å
84	E	57.3	Low	52.3	Low	155 Å²	155	108.1 Å²	108.1	72%	0.724	55%	0.551	S	S	*	*	H	α-helix	trans	-69.8	-29.7	175.8	-69.4	-161.3	164.5	0	0	112.5	M80 H81 G86	M80-E84 PolarHBondContact O-N 2.87Å; H81-E84 PolarHBondContact O-N 3.21Å; E84-G86 PolarHBondContact O-N 3.24Å
85	A	56.1	Low	50.4	Low	78 Å²	78	110.9 Å²	110.9	65%	0.645	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	-12.2	168.5	0	0	0	0	0	113.5	H81 R83	H81-A85 WeakPolarHBondContact O-CB 3.39Å; H81-A85 PolarHBondContact O-N 3.49Å; R83-A85 VanDerWaalsContact C-N 3.33Å
86	G	42.6	Very low	48.9	Very low	61 Å²	61	114.7 Å²	114.7	63%	0.629	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	84.9	22.6	172.8	0	0	0	0	0	115.3	M82 R83 E84	M82-G86 PolarHBondContact O-N 3.46Å; R83-G86 PolarHBondContact O-N 3.31Å; R83-G86 VanDerWaalsContact O-N 3.08Å; E84-G86 PolarHBondContact O-N 3.24Å
87	M	38.4	Very low	47.3	Very low	106 Å²	106	112 Å²	112	52%	0.522	58%	0.58	S	S	.	*			trans	-90.7	125.4	169.8	-62.8	-166.2	-66.7	0	0	110	M82 V89	M82-M87 HydrophobicContact CE-CE 3.58Å; M82-M87 PolarHBondContact O-N 3.39Å; M82-M87 HydrophobicContact SD-CE 3.43Å; M82-M87 WeakPolarHBondContact SD-CE 3.21Å; M87-V89 PolarHBondContact O-N 3.32Å
88	E	37.2	Very low	45.7	Very low	197 Å²	197	118.6 Å²	118.6	92%	0.921	61%	0.611	S	S	*	*			trans	-79.2	114.9	179	-67.7	-172.9	147.1	0	0	110.1
89	V	39.6	Very low	44.6	Very low	67 Å²	67	123 Å²	123	41%	0.406	63%	0.631	S	S	.	*			trans	-89.5	111.4	171.8	179.6	0	0	0	0	108.4	M87 Q91	M87-V89 PolarHBondContact O-N 3.32Å; V89-Q91 PolarHBondContact O-N 3.47Å
90	E	35.3	Very low	43.1	Very low	189 Å²	189	127.1 Å²	127.1	88%	0.883	65%	0.654	S	S	*	*			trans	-67.3	118.1	172.1	-69.4	-165.3	132.1	0	0	110	Q92	E90-Q92 PolarHBondContact O-N 3.34Å
91	Q	36.5	Very low	41.3	Very low	142 Å²	142	133 Å²	133	66%	0.664	68%	0.681	S	S	*	*			trans	-78.8	120.6	174.7	-71.9	-176.2	-31	0	0	110.1	V89 E93	V89-Q91 PolarHBondContact O-N 3.47Å; Q91-E93 PolarHBondContact O-N 2.9Å
92	Q	36.9	Very low	39.8	Very low	193 Å²	193	139.4 Å²	139.4	90%	0.902	71%	0.711	S	S	*	*			trans	-69.8	91.6	167.3	-80.5	-178	-33.4	0	0	109.8	E90 V94	E90-Q92 PolarHBondContact O-N 3.34Å; Q92-V94 PolarHBondContact O-N 3.48Å
93	E	31.1	Very low	38.7	Very low	165 Å²	165	139.8 Å²	139.8	77%	0.771	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-65.5	116.1	168.9	-69.2	-172.9	147.2	0	0	109.9	Q91	Q91-E93 PolarHBondContact O-N 2.9Å
94	V	33.2	Very low	37.3	Very low	139 Å²	139	140.2 Å²	140.2	84%	0.842	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-70.9	147.8	-176	179.1	0	0	0	0	110.9	Q92	Q92-V94 PolarHBondContact O-N 3.48Å
95	C	29	Very low	36.4	Very low	89 Å²	89	138.6 Å²	138.6	60%	0.601	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-71.2	134.9	-178.2	-63.1	0	0	0	0	112.3
96	E	33.4	Very low	35.8	Very low	199 Å²	199	144.6 Å²	144.6	93%	0.93	77%	0.767	S	S	*	*			trans	-101.7	113.1	168.6	-162.8	170.7	-130.5	0	0	108.5
97	V	36.8	Very low	35.5	Very low	81 Å²	81	146.2 Å²	146.2	49%	0.491	78%	0.775	S	S	.	*			trans	-92.1	121	-178.8	177.9	0	0	0	0	109.1	E99 V111	V97-E99 PolarHBondContact O-N 3.47Å; V97-V111 HydrophobicContact CG1-CG1 4.1Å
98	Q	35.7	Very low	35.7	Very low	177 Å²	177	151 Å²	151	83%	0.827	80%	0.796	S	S	*	*			trans	-91	85.1	-177.7	-169.2	166.1	42.6	0	0	111.4	L100	Q98-L100 PolarHBondContact O-N 2.95Å
99	E	34.2	Very low	35.7	Very low	174 Å²	174	144.6 Å²	144.6	81%	0.813	78%	0.782	S	S	*	*			trans	-64.8	124.9	169.9	-65.2	-170.4	154.6	0	0	110.5	V97	V97-E99 PolarHBondContact O-N 3.47Å
100	L	35.4	Very low	36	Very low	146 Å²	146	146.1 Å²	146.1	76%	0.764	79%	0.794	S	S	*	*			trans	-104	100.6	-176.9	-133	168.3	0	0	0	108.7	Q98 Q102	Q98-L100 PolarHBondContact O-N 2.95Å; L100-Q102 PolarHBondContact O-N 3.28Å
101	E	35.1	Very low	36.9	Very low	197 Å²	197	140.7 Å²	140.7	92%	0.921	77%	0.773	S	S	*	*			trans	-55.8	102.9	-176.6	-69.2	-171.7	132.7	0	0	112.1
102	Q	31.6	Very low	38.1	Very low	181 Å²	181	139 Å²	139	85%	0.846	77%	0.765	S	S	*	*			trans	-104.7	125.2	162.8	-67.4	-164.6	7.1	0	0	109.3	L100	L100-Q102 PolarHBondContact O-N 3.28Å
103	A	35.2	Very low	39.4	Very low	96 Å²	96	133.2 Å²	133.2	79%	0.793	74%	0.736	S	S	*	*			trans	-79.8	132.8	-176.2	0	0	0	0	0	112.1
104	S	32.6	Very low	41	Very low	112 Å²	112	129.4 Å²	129.4	78%	0.783	72%	0.718	S	S	*	*	S	Bend	trans	82	143.7	161	77.3	0	0	0	0	120.2
105	S	37.9	Very low	42.8	Very low	121 Å²	121	123.2 Å²	123.2	85%	0.846	68%	0.681	S	S	*	*			trans	76.7	148.2	173.4	72.4	0	0	0	0	118.2
106	E	43.8	Very low	44.3	Very low	204 Å²	204	126 Å²	126	95%	0.953	69%	0.689	S	S	*	*			trans	-91.7	103.5	-159	-62.7	161.2	120.5	0	0	112.9
107	A	37	Very low	45.7	Very low	96 Å²	96	123 Å²	123	79%	0.793	68%	0.679	S	S	*	*			trans	-157	134.1	158.4	0	0	0	0	0	110.6	G109	A107-G109 PolarHBondContact O-N 3.45Å
108	Q	42.8	Very low	47.2	Very low	207 Å²	207	121.8 Å²	121.8	97%	0.967	67%	0.674	S	S	*	*			trans	-80	98.6	171.6	-71.7	177.9	-56.6	0	0	109.6
109	G	36.6	Very low	48.7	Very low	61 Å²	61	118.8 Å²	118.8	63%	0.629	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-79.1	154.1	169.3	0	0	0	0	0	112.2	A107	A107-G109 PolarHBondContact O-N 3.45Å
110	P	46.9	Very low	50.3	Low	100 Å²	100	112.3 Å²	112.3	65%	0.649	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-70.1	142.1	178.3	29.4	-34.5	0	0	0	112
111	V	53.6	Low	51.9	Low	75 Å²	75	109.9 Å²	109.9	46%	0.455	63%	0.626	S	S	.	*	P	Polyproline II helix	trans	-75.9	125.2	173.9	178.5	0	0	0	0	109.2	V97 Y113	V97-V111 HydrophobicContact CG1-CG1 4.1Å; V111-Y113 HydrophobicContact CG1-CE2 4.38Å; V111-Y113 WeakPolarHBondContact O-CE2 3.3Å
112	Q	62.1	Low	53.9	Low	106 Å²	106	102.3 Å²	102.3	50%	0.495	59%	0.59	S	S	.	*	P	Polyproline II helix	trans	-96.8	131.5	177.1	-69.7	-166.1	-33.8	0	0	112.2	L121 F122 D123	Q112-L121 HydrophobicContact CB-CD2 4.47Å; Q112-F122 WeakPolarHBondContact CA-O 3.34Å; Q112-D123 WeakPolarHBondContact CG-OD1 3.44Å; Q112-D123 PolarHBondContact NE2-OD1 3.47Å
113	Y	63.8	Low	55.5	Low	72 Å²	72	98.6 Å²	98.6	28%	0.282	58%	0.576	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-99.6	121.4	179.2	-59.1	-94.3	0	0	0	109.4	V111 F122 P125	V111-Y113 HydrophobicContact CG1-CE2 4.38Å; V111-Y113 WeakPolarHBondContact O-CE2 3.3Å; Y113-F122 PolarHBondContact N-O 3.35Å; Y113-F122 PolarHBondContact O-N 3.17Å; Y113-P125 HydrophobicContact CD1-CB 4.47Å; Y113-P125 HydrophobicContact CE1-CB 4.01Å; Y113-P125 HydrophobicContact CE2-CB 4.13Å; Y113-P125 HydrophobicContact CE2-CG 4.35Å
114	Q	64.6	Low	57	Low	85 Å²	85	95.6 Å²	95.6	40%	0.397	55%	0.55	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	137.9	177.1	-160.4	168.8	34.4	0	0	111.9	L119 A120 L121 W128	Q114-L119 PolarHBondContact NE2-O 2.84Å; Q114-A120 WeakPolarHBondContact CA-O 3.34Å; Q114-L121 HydrophobicContact CB-CD2 3.71Å; Q114-L121 HydrophobicContact CG-CD2 3.75Å; Q114-L121 HydrophobicContact CG-CG 4.45Å; Q114-W128 PolarHBondContact O-NE1 3.42Å
115	C	70.8	Confident	58.4	Low	8 Å²	8	92.6 Å²	92.6	5%	0.054	53%	0.527	C	S	.	.	P	Polyproline II helix	trans	-87.8	118.3	165.5	-178.9	0	0	0	0	109.8	D117 C118 L119 A120 F122	C115-D117 VanDerWaalsContact C-N 3.3Å; C115-D117 PolarHBondContact O-N 3.43Å; C115-C118 VanDerWaalsContact CB-SG 3.58Å; C115-C118 PolarHBondContact O-N 3.06Å; C115-C118 VanDerWaalsContact SG-SG 3.69Å; C115-L119 WeakPolarHBondContact O-CA 3.31Å; C115-L119 PolarHBondContact O-N 2.91Å; C115-A120 PolarHBondContact N-O 3.4Å; C115-F122 HydrophobicContact CB-CE2 4.27Å
116	L	61.6	Low	59.7	Low	149 Å²	149	92.1 Å²	92.1	78%	0.78	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-23.2	-175.4	-70.8	168.7	0	0	0	114.1
117	D	61.4	Low	61	Low	136 Å²	136	85.7 Å²	85.7	73%	0.727	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-27.1	-178.8	-67.2	-52.8	0	0	0	113.6	C115	C115-D117 VanDerWaalsContact C-N 3.3Å; C115-D117 PolarHBondContact O-N 3.43Å
118	C	68.2	Low	63	Low	55 Å²	55	83 Å²	83	37%	0.372	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.6	-6.7	-175.8	72.2	0	0	0	0	114.3	C115 A120 H131	C115-C118 VanDerWaalsContact CB-SG 3.58Å; C115-C118 PolarHBondContact O-N 3.06Å; C115-C118 VanDerWaalsContact SG-SG 3.69Å; C118-A120 PolarHBondContact O-N 3.27Å; C118-A120 VanDerWaalsContact SG-CB 3.57Å; C118-H131 PolarHBondContact SG-NE2 3.44Å
119	L	67.6	Low	64.1	Low	113 Å²	113	76.6 Å²	76.6	59%	0.592	43%	0.432	S	S	*	.			trans	61.7	9	-176.1	-54.6	-179.9	0	0	0	116.2	Q114 C115	Q114-L119 PolarHBondContact NE2-O 2.84Å; C115-L119 WeakPolarHBondContact O-CA 3.31Å; C115-L119 PolarHBondContact O-N 2.91Å
120	A	66.8	Low	65.8	Low	38 Å²	38	78.6 Å²	78.6	31%	0.314	43%	0.425	S	S	.	.			trans	-65.9	142.8	174.7	0	0	0	0	0	112.2	Q114 C115 C118 F122	Q114-A120 WeakPolarHBondContact CA-O 3.34Å; C115-A120 PolarHBondContact N-O 3.4Å; C118-A120 PolarHBondContact O-N 3.27Å; C118-A120 VanDerWaalsContact SG-CB 3.57Å; A120-F122 HydrophobicContact CB-CE2 3.72Å; A120-F122 HydrophobicContact CB-CZ 4Å
121	L	70.6	Confident	67.2	Low	95 Å²	95	76 Å²	76	50%	0.497	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	142.2	179.4	-66.5	166.6	0	0	0	110.2	Q112 Q114	Q112-L121 HydrophobicContact CB-CD2 4.47Å; Q114-L121 HydrophobicContact CB-CD2 3.71Å; Q114-L121 HydrophobicContact CG-CD2 3.75Å; Q114-L121 HydrophobicContact CG-CG 4.45Å
122	F	75.7	Confident	67.7	Low	38 Å²	38	78.6 Å²	78.6	17%	0.167	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	133.9	-177.2	-61.4	-93.6	0	0	0	110.5	Q112 Y113 C115 A120 S124 W128 H131	Q112-F122 WeakPolarHBondContact CA-O 3.34Å; Y113-F122 PolarHBondContact N-O 3.35Å; Y113-F122 PolarHBondContact O-N 3.17Å; C115-F122 HydrophobicContact CB-CE2 4.27Å; A120-F122 HydrophobicContact CB-CE2 3.72Å; A120-F122 HydrophobicContact CB-CZ 4Å; F122-S124 PolarHBondContact O-N 2.79Å; F122-W128 HydrophobicContact CB-CB 4.11Å; F122-W128 HydrophobicContact CD2-CB 4.2Å; F122-W128 AromaticContact CD2-CD1 3.92Å; F122-W128 HydrophobicContact CD2-CG 4.48Å; F122-W128 HydrophobicContact CG-CB 4.15Å; F122-H131 HydrophobicContact CE1-CB 3.99Å; F122-H131 HydrophobicContact CE2-CB 4.4Å; F122-H131 AromaticContact CE2-CD2 3.62Å; F122-H131 HydrophobicContact CZ-CB 3.71Å; F122-H131 AromaticContact CZ-CD2 3.4Å; F122-H131 VanDerWaalsContact CZ-CD2 3.4Å; F122-H131 WeakPolarHBondContact CZ-CD2 3.3Å; F122-H131 AromaticContact CZ-CG 3.42Å; F122-H131 VanDerWaalsContact CZ-CG 3.42Å; F122-H131 AromaticContact CZ-ND1 4Å; F122-H131 AromaticContact CZ-NE2 3.98Å
123	D	65.8	Low	67.8	Low	103 Å²	103	79 Å²	79	55%	0.551	40%	0.402	S	S	*	.	S	Bend	trans	-84.5	9.8	179.7	-48.2	-67.4	0	0	0	113.5	Q112	Q112-D123 WeakPolarHBondContact CG-OD1 3.44Å; Q112-D123 PolarHBondContact NE2-OD1 3.47Å
124	S	66.5	Low	67.6	Low	34 Å²	34	79.5 Å²	79.5	24%	0.238	41%	0.413	C	S	.	.	S	Bend	trans	-148.2	138.9	-177.8	157	0	0	0	0	110.8	F122 D126 T127 W128	F122-S124 PolarHBondContact O-N 2.79Å; S124-D126 VanDerWaalsContact C-N 3.33Å; S124-D126 PolarHBondContact OG-N 3.28Å; S124-T127 PolarHBondContact O-OG1 3.06Å; S124-T127 VanDerWaalsContact O-OG1 3.13Å; S124-W128 PolarHBondContact O-N 3.42Å
125	P	62.7	Low	67.1	Low	49 Å²	49	78.8 Å²	78.8	32%	0.318	41%	0.409	S	S	.	.	H	α-helix	trans	-68.7	-32.4	177.6	28.2	-33.7	0	0	0	112.1	Y113 W128 L129	Y113-P125 HydrophobicContact CD1-CB 4.47Å; Y113-P125 HydrophobicContact CE1-CB 4.01Å; Y113-P125 HydrophobicContact CE2-CB 4.13Å; Y113-P125 HydrophobicContact CE2-CG 4.35Å; P125-W128 PolarHBondContact O-N 3.15Å; P125-L129 WeakPolarHBondContact O-CB 3.44Å; P125-L129 WeakPolarHBondContact O-CG 3.4Å; P125-L129 PolarHBondContact O-N 3.3Å
126	D	65.3	Low	65.8	Low	110 Å²	110	82 Å²	82	59%	0.588	43%	0.432	S	S	*	.	H	α-helix	trans	-67.2	-41.7	-179.2	-54.9	-68.4	0	0	0	111.7	S124 L129 E130	S124-D126 VanDerWaalsContact C-N 3.33Å; S124-D126 PolarHBondContact OG-N 3.28Å; D126-L129 PolarHBondContact O-N 3.36Å; D126-E130 WeakPolarHBondContact O-CB 3.35Å; D126-E130 PolarHBondContact O-N 3.38Å
127	T	71.4	Confident	64.8	Low	69 Å²	69	85.2 Å²	85.2	42%	0.423	43%	0.434	S	S	.	.	H	α-helix	trans	-70.1	-34.6	177.7	63.1	0	0	0	0	111.8	S124 H131	S124-T127 PolarHBondContact O-OG1 3.06Å; S124-T127 VanDerWaalsContact O-OG1 3.13Å; T127-H131 WeakPolarHBondContact O-CB 3.38Å; T127-H131 PolarHBondContact O-N 2.95Å
128	W	79.1	Confident	63.7	Low	39 Å²	39	82.3 Å²	82.3	15%	0.148	42%	0.424	C	S	.	.	H	α-helix	trans	-64.9	-41.2	169.6	177	93.8	0	0	0	112.3	Q114 F122 S124 P125 H131 R132	Q114-W128 PolarHBondContact O-NE1 3.42Å; F122-W128 HydrophobicContact CB-CB 4.11Å; F122-W128 HydrophobicContact CD2-CB 4.2Å; F122-W128 AromaticContact CD2-CD1 3.92Å; F122-W128 HydrophobicContact CD2-CG 4.48Å; F122-W128 HydrophobicContact CG-CB 4.15Å; S124-W128 PolarHBondContact O-N 3.42Å; P125-W128 PolarHBondContact O-N 3.15Å; W128-H131 PolarHBondContact O-N 3.26Å; W128-R132 WeakPolarHBondContact O-CB 3.49Å; W128-R132 PolarHBondContact O-N 2.82Å
129	L	66.1	Low	61.8	Low	74 Å²	74	84.7 Å²	84.7	39%	0.387	44%	0.441	S	S	.	.	H	α-helix	trans	-66.4	-40.1	175.2	-78	174.2	0	0	0	112.5	P125 D126 R132 R133	P125-L129 WeakPolarHBondContact O-CB 3.44Å; P125-L129 WeakPolarHBondContact O-CG 3.4Å; P125-L129 PolarHBondContact O-N 3.3Å; D126-L129 PolarHBondContact O-N 3.36Å; L129-R132 PolarHBondContact O-N 3.25Å; L129-R133 WeakPolarHBondContact O-CB 3.5Å; L129-R133 WeakPolarHBondContact O-CG 3.42Å; L129-R133 PolarHBondContact O-N 3.38Å; L129-R133 PolarHBondContact O-NE 3.38Å
130	E	71.5	Confident	60.2	Low	103 Å²	103	84.9 Å²	84.9	48%	0.481	45%	0.447	S	S	.	.	H	α-helix	trans	-63.2	-46.1	174.6	-156.5	65.6	-123.5	0	0	110.3	D126 R133 T134	D126-E130 WeakPolarHBondContact O-CB 3.35Å; D126-E130 PolarHBondContact O-N 3.38Å; E130-R133 PolarHBondContact O-N 2.99Å; E130-R133 IonicContact OE1-CZ 3.59Å; E130-R133 IonicContact OE1-NH1 2.78Å; E130-R133 PolarHBondContact OE1-NH1 3.09Å; E130-R133 IonicContact OE1-NH2 3.91Å; E130-R133 IonicContact OE2-CZ 3.13Å; E130-R133 IonicContact OE2-NH1 3.55Å; E130-R133 PolarHBondContact OE2-NH1 2.75Å; E130-R133 IonicContact OE2-NH2 2.7Å; E130-R133 PolarHBondContact OE2-NH2 2.98Å; E130-T134 PolarHBondContact O-N 3.22Å
131	H	77	Confident	58.4	Low	46 Å²	46	91.4 Å²	91.4	21%	0.213	47%	0.471	C	S	.	.	H	α-helix	trans	-59.6	-47.7	174.4	179.7	64.1	0	0	0	112.3	C118 F122 T127 W128 R133 T134 H135	C118-H131 PolarHBondContact SG-NE2 3.44Å; F122-H131 HydrophobicContact CE1-CB 3.99Å; F122-H131 HydrophobicContact CE2-CB 4.4Å; F122-H131 AromaticContact CE2-CD2 3.62Å; F122-H131 HydrophobicContact CZ-CB 3.71Å; F122-H131 AromaticContact CZ-CD2 3.4Å; F122-H131 VanDerWaalsContact CZ-CD2 3.4Å; F122-H131 WeakPolarHBondContact CZ-CD2 3.3Å; F122-H131 AromaticContact CZ-CG 3.42Å; F122-H131 VanDerWaalsContact CZ-CG 3.42Å; F122-H131 AromaticContact CZ-ND1 4Å; F122-H131 AromaticContact CZ-NE2 3.98Å; T127-H131 WeakPolarHBondContact O-CB 3.38Å; T127-H131 PolarHBondContact O-N 2.95Å; W128-H131 PolarHBondContact O-N 3.26Å; H131-R133 VanDerWaalsContact C-N 3.27Å; H131-R133 PolarHBondContact O-N 3.28Å; H131-T134 PolarHBondContact O-N 3.22Å; H131-T134 PolarHBondContact O-OG1 2.7Å; H131-H135 AromaticContact CE1-CD2 3.65Å; H131-H135 AromaticContact CE1-NE2 3.64Å; H131-H135 AromaticContact NE2-CD2 3.6Å; H131-H135 AromaticContact NE2-NE2 3.65Å; H131-H135 PolarHBondContact O-N 2.95Å
132	R	62.9	Low	56.5	Low	128 Å²	128	91.9 Å²	91.9	48%	0.483	48%	0.482	S	S	.	.	H	α-helix	trans	-59.5	-35.6	176	-173.9	175.8	173.7	-172.7	-2.5	112.2	W128 L129 T134 H135 S136	W128-R132 WeakPolarHBondContact O-CB 3.49Å; W128-R132 PolarHBondContact O-N 2.82Å; L129-R132 PolarHBondContact O-N 3.25Å; R132-T134 VanDerWaalsContact C-N 3.28Å; R132-T134 PolarHBondContact O-N 3.01Å; R132-H135 PolarHBondContact O-N 3Å; R132-S136 PolarHBondContact O-N 3.45Å
133	R	63.7	Low	54.1	Low	116 Å²	116	96.7 Å²	96.7	44%	0.438	51%	0.51	S	S	.	.	H	α-helix	trans	-67.7	-20.9	174	-79.8	179.9	-82.6	128.3	-2.9	113.8	L129 E130 H131 S136 R137	L129-R133 WeakPolarHBondContact O-CB 3.5Å; L129-R133 WeakPolarHBondContact O-CG 3.42Å; L129-R133 PolarHBondContact O-N 3.38Å; L129-R133 PolarHBondContact O-NE 3.38Å; E130-R133 PolarHBondContact O-N 2.99Å; E130-R133 IonicContact OE1-CZ 3.59Å; E130-R133 IonicContact OE1-NH1 2.78Å; E130-R133 PolarHBondContact OE1-NH1 3.09Å; E130-R133 IonicContact OE1-NH2 3.91Å; E130-R133 IonicContact OE2-CZ 3.13Å; E130-R133 IonicContact OE2-NH1 3.55Å; E130-R133 PolarHBondContact OE2-NH1 2.75Å; E130-R133 IonicContact OE2-NH2 2.7Å; E130-R133 PolarHBondContact OE2-NH2 2.98Å; H131-R133 VanDerWaalsContact C-N 3.27Å; H131-R133 PolarHBondContact O-N 3.28Å; R133-S136 PolarHBondContact O-OG 3.47Å; R133-R137 WeakPolarHBondContact O-CG 3.46Å
134	T	59.6	Low	52.3	Low	82 Å²	82	97.9 Å²	97.9	50%	0.503	52%	0.521	S	S	.	.	H	α-helix	trans	-80.6	-34.1	169.6	69.4	0	0	0	0	113	E130 H131 R132 S138	E130-T134 PolarHBondContact O-N 3.22Å; H131-T134 PolarHBondContact O-N 3.22Å; H131-T134 PolarHBondContact O-OG1 2.7Å; R132-T134 VanDerWaalsContact C-N 3.28Å; R132-T134 PolarHBondContact O-N 3.01Å; T134-S138 PolarHBondContact O-N 2.91Å; T134-S138 PolarHBondContact O-OG 2.87Å
135	H	55.6	Low	50.6	Low	69 Å²	69	104.6 Å²	104.6	32%	0.319	55%	0.549	S	S	.	.	H	α-helix	trans	-68.4	-43.4	174.2	-92.3	-85.3	0	0	0	112.6	H131 R132 R137 S138 S139	H131-H135 AromaticContact CE1-CD2 3.65Å; H131-H135 AromaticContact CE1-NE2 3.64Å; H131-H135 AromaticContact NE2-CD2 3.6Å; H131-H135 AromaticContact NE2-NE2 3.65Å; H131-H135 PolarHBondContact O-N 2.95Å; R132-H135 PolarHBondContact O-N 3Å; H135-R137 VanDerWaalsContact C-N 3.32Å; H135-R137 PolarHBondContact O-N 2.8Å; H135-S138 PolarHBondContact O-N 3.08Å; H135-S138 PolarHBondContact O-OG 2.95Å; H135-S138 VanDerWaalsContact O-OG 3.08Å; H135-S139 PolarHBondContact O-N 2.78Å
136	S	42	Very low	49.1	Very low	76 Å²	76	106.4 Å²	106.4	53%	0.531	57%	0.567	S	S	.	*	H	α-helix	trans	-62.8	-38.7	177.5	62.6	0	0	0	0	112.4	R132 R133 S138 S139	R132-S136 PolarHBondContact O-N 3.45Å; R133-S136 PolarHBondContact O-OG 3.47Å; S136-S138 VanDerWaalsContact C-N 3.26Å; S136-S138 PolarHBondContact O-N 2.94Å; S136-S139 PolarHBondContact O-N 2.9Å
137	R	40.9	Very low	47.3	Very low	217 Å²	217	106 Å²	106	82%	0.819	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.9	-12.8	176.9	-78.6	-179.7	162.2	175.5	-4.7	115.1	R133 H135	R133-R137 WeakPolarHBondContact O-CG 3.46Å; H135-R137 VanDerWaalsContact C-N 3.32Å; H135-R137 PolarHBondContact O-N 2.8Å
138	S	39.3	Very low	45.4	Very low	74 Å²	74	108.9 Å²	108.9	52%	0.517	59%	0.586	S	S	.	*	T	Hydrogen-bonded Turn	trans	-105.6	-5.3	179.5	44	0	0	0	0	114.3	T134 H135 S136 T140	T134-S138 PolarHBondContact O-N 2.91Å; T134-S138 PolarHBondContact O-OG 2.87Å; H135-S138 PolarHBondContact O-N 3.08Å; H135-S138 PolarHBondContact O-OG 2.95Å; H135-S138 VanDerWaalsContact O-OG 3.08Å; S136-S138 VanDerWaalsContact C-N 3.26Å; S136-S138 PolarHBondContact O-N 2.94Å; S138-T140 PolarHBondContact O-N 2.96Å
139	S	28.9	Very low	43.2	Very low	105 Å²	105	115.5 Å²	115.5	73%	0.734	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	-10.5	-176.7	-165.5	0	0	0	0	115.3	H135 S136 H141	H135-S139 PolarHBondContact O-N 2.78Å; S136-S139 PolarHBondContact O-N 2.9Å; S139-H141 PolarHBondContact O-N 2.85Å
140	T	32.2	Very low	42.1	Very low	118 Å²	118	118.7 Å²	118.7	72%	0.724	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	5.8	-173.2	48.3	0	0	0	0	115.5	S138 S142	S138-T140 PolarHBondContact O-N 2.96Å; T140-S142 PolarHBondContact O-N 3.49Å
141	H	30.8	Very low	40.7	Very low	174 Å²	174	118.5 Å²	118.5	81%	0.806	63%	0.632	S	S	*	*			trans	-83.2	101.2	174.4	-87.7	-83.4	0	0	0	113.1	S139 N143	S139-H141 PolarHBondContact O-N 2.85Å; H141-N143 PolarHBondContact O-N 3.46Å
142	S	29.1	Very low	38.7	Very low	105 Å²	105	121.8 Å²	121.8	73%	0.734	65%	0.651	S	S	*	*			trans	-67.3	126.2	172.4	-70.6	0	0	0	0	111.8	T140 T144	T140-S142 PolarHBondContact O-N 3.49Å; S142-T144 PolarHBondContact O-N 3.2Å; S142-T144 VanDerWaalsContact O-N 3.09Å
143	N	25.3	Very low	37.9	Very low	139 Å²	139	122.1 Å²	122.1	74%	0.743	66%	0.658	S	S	*	*			trans	-70	102.4	179.8	-178.3	-8.4	0	0	0	112.1	H141	H141-N143 PolarHBondContact O-N 3.46Å
144	T	28.3	Very low	37	Very low	129 Å²	129	122.2 Å²	122.2	79%	0.791	68%	0.683	S	S	*	*			trans	-111.9	80	173.6	51.7	0	0	0	0	112.2	S142	S142-T144 PolarHBondContact O-N 3.2Å; S142-T144 VanDerWaalsContact O-N 3.09Å
145	Q	31.4	Very low	36.3	Very low	175 Å²	175	124.1 Å²	124.1	82%	0.818	69%	0.691	S	S	*	*			trans	-73.5	141.4	153.6	-69.6	179.5	-14	0	0	109.9
146	A	29.8	Very low	35.9	Very low	86 Å²	86	123.4 Å²	123.4	71%	0.711	70%	0.702	S	S	*	*			cis	-158.4	148	-18.1	0	0	0	0	0	108.3
147	S	28.3	Very low	35.8	Very low	102 Å²	102	122.4 Å²	122.4	71%	0.713	70%	0.695	S	S	*	*			trans	-135.8	114.9	169.5	49.5	0	0	0	0	108.9	E149	S147-E149 PolarHBondContact O-N 2.95Å
148	N	32.5	Very low	35.9	Very low	129 Å²	129	116.8 Å²	116.8	69%	0.69	68%	0.68	S	S	*	*			trans	-69.5	113.3	179.5	-64	8.3	0	0	0	109.2	Y150	N148-Y150 HydrophobicContact CB-CE2 4.18Å
149	E	32.9	Very low	35.9	Very low	178 Å²	178	118.1 Å²	118.1	83%	0.832	69%	0.685	S	S	*	*			trans	-79.1	144.5	171.9	-63.4	-171.1	145.1	0	0	110.6	S147	S147-E149 PolarHBondContact O-N 2.95Å
150	Y	42.3	Very low	36.3	Very low	141 Å²	141	117.9 Å²	117.9	55%	0.553	68%	0.681	S	S	*	*			trans	-131.2	132.8	175.4	-69	-86.8	0	0	0	107.8	N148 I158 P160	N148-Y150 HydrophobicContact CB-CE2 4.18Å; Y150-I158 HydrophobicContact CD1-CG2 3.51Å; Y150-I158 HydrophobicContact CE1-CG2 4.29Å; Y150-I158 HydrophobicContact CG-CG2 4.03Å; Y150-P160 HydrophobicContact CD1-CB 4.48Å; Y150-P160 HydrophobicContact CE1-CB 4.13Å
151	V	41.5	Very low	36.4	Very low	99 Å²	99	120.5 Å²	120.5	60%	0.6	69%	0.69	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-95.7	124.2	173.6	-178.8	0	0	0	0	108.8
152	L	34.9	Very low	36.3	Very low	115 Å²	115	119.3 Å²	119.3	60%	0.602	69%	0.689	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-86.1	123.3	164.1	-92.8	156.1	0	0	0	108.3	I158	L152-I158 HydrophobicContact CD2-CD1 4.03Å; L152-I158 HydrophobicContact CD2-CG1 3.6Å; L152-I158 HydrophobicContact CG-CD1 4.15Å; L152-I158 HydrophobicContact CG-CG1 3.82Å
153	Q	47.4	Very low	36.6	Very low	135 Å²	135	121 Å²	121	63%	0.631	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-89.2	167.4	167.2	-66.4	-167.2	-3.3	0	0	110.6	D155 G156	Q153-D155 PolarHBondContact O-N 3.28Å; Q153-G156 PolarHBondContact O-N 3.41Å
154	A	43.6	Very low	36.7	Very low	118 Å²	118	121.5 Å²	121.5	98%	0.975	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.6	-3.8	-170	0	0	0	0	0	114.9
155	D	45.5	Very low	36.8	Very low	123 Å²	123	123 Å²	123	66%	0.658	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.4	-8.1	173.1	68.1	-4.4	0	0	0	113.8	Q153 S157	Q153-D155 PolarHBondContact O-N 3.28Å; D155-S157 WeakPolarHBondContact OD1-CB 3.47Å; D155-S157 PolarHBondContact OD1-N 3Å; D155-S157 PolarHBondContact OD1-OG 2.91Å; D155-S157 PolarHBondContact OD2-OG 2.79Å
156	G	46.3	Very low	36.9	Very low	54 Å²	54	121.9 Å²	121.9	56%	0.557	69%	0.687	S	S	*	*	S	Bend	trans	88.2	8.7	-179.8	0	0	0	0	0	115.4	Q153	Q153-G156 PolarHBondContact O-N 3.41Å
157	S	41.4	Very low	37	Very low	54 Å²	54	127.6 Å²	127.6	38%	0.378	70%	0.697	S	S	.	*			trans	-84	155.8	175.5	69.2	0	0	0	0	113.1	D155	D155-S157 WeakPolarHBondContact OD1-CB 3.47Å; D155-S157 PolarHBondContact OD1-N 3Å; D155-S157 PolarHBondContact OD1-OG 2.91Å; D155-S157 PolarHBondContact OD2-OG 2.79Å
158	I	41.2	Very low	37.3	Very low	100 Å²	100	129.1 Å²	129.1	51%	0.513	70%	0.701	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-133.2	127.5	-178.8	-63.9	175.5	0	0	0	109.7	Y150 L152	Y150-I158 HydrophobicContact CD1-CG2 3.51Å; Y150-I158 HydrophobicContact CE1-CG2 4.29Å; Y150-I158 HydrophobicContact CG-CG2 4.03Å; L152-I158 HydrophobicContact CD2-CD1 4.03Å; L152-I158 HydrophobicContact CD2-CG1 3.6Å; L152-I158 HydrophobicContact CG-CD1 4.15Å; L152-I158 HydrophobicContact CG-CG1 3.82Å
159	T	40.5	Very low	37.5	Very low	102 Å²	102	129.9 Å²	129.9	63%	0.626	70%	0.704	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-138.5	141.6	173.7	52.5	0	0	0	0	112.3
160	P	36.8	Very low	38.4	Very low	99 Å²	99	124.6 Å²	124.6	64%	0.643	69%	0.687	S	S	*	*			trans	-89.9	141.5	172.6	34.9	-32.1	0	0	0	112.2	Y150	Y150-P160 HydrophobicContact CD1-CB 4.48Å; Y150-P160 HydrophobicContact CE1-CB 4.13Å
161	L	33.4	Very low	38.6	Very low	174 Å²	174	126.3 Å²	126.3	91%	0.911	70%	0.7	S	S	*	*			trans	-87	143.7	175.3	-87.3	159.6	0	0	0	112.2
162	N	30	Very low	39.1	Very low	148 Å²	148	129.7 Å²	129.7	79%	0.791	71%	0.709	S	S	*	*			trans	-145.7	158.2	169.3	-164.4	6.5	0	0	0	109.9
163	N	34.6	Very low	39.7	Very low	141 Å²	141	129 Å²	129	75%	0.754	70%	0.703	S	S	*	*			trans	-61.8	145.1	-165	-65.7	-33.9	0	0	0	115.5
164	M	27	Very low	40	Very low	149 Å²	149	125.2 Å²	125.2	73%	0.734	70%	0.695	S	S	*	*				-172.1	143	120.4	-98.8	-78.6	89.4	0	0	114
165	Q	31.6	Very low	40.9	Very low	162 Å²	162	121.5 Å²	121.5	76%	0.757	67%	0.668	S	S	*	*			trans	74.9	141.6	149.7	-71.5	160	16	0	0	121.6
166	N	33.4	Very low	41.6	Very low	150 Å²	150	122.3 Å²	122.3	80%	0.802	67%	0.668	S	S	*	*			trans	-91.1	151	-178.7	-53.4	-39.8	0	0	0	111.1
167	F	32.3	Very low	42.2	Very low	207 Å²	207	125 Å²	125	91%	0.908	67%	0.669	S	S	*	*			trans	-125.1	126.3	152.6	-88.4	-87.9	0	0	0	109.5
168	V	33.8	Very low	42.6	Very low	133 Å²	133	127.6 Å²	127.6	81%	0.806	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-96	124.8	175.2	176.5	0	0	0	0	108
169	L	38	Very low	43.7	Very low	146 Å²	146	125.8 Å²	125.8	76%	0.764	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-81.4	138.5	167.9	-68.9	175.2	0	0	0	109.6
170	S	51.5	Low	44.9	Very low	66 Å²	66	127.7 Å²	127.7	46%	0.462	68%	0.679	S	S	.	*	P	Polyproline II helix	trans	-72	143.1	-176.7	64.1	0	0	0	0	112.4	Q172 Q173	S170-Q172 PolarHBondContact O-N 3.36Å; S170-Q172 VanDerWaalsContact O-N 3.1Å; S170-Q173 PolarHBondContact O-N 2.77Å; S170-Q173 PolarHBondContact OG-OE1 2.98Å
171	E	45	Very low	46.4	Very low	178 Å²	178	127.3 Å²	127.3	83%	0.832	68%	0.675	S	S	*	*	H	α-helix	trans	-55.4	-32.9	-170.7	-162.5	167.7	-148.1	0	0	114.1	Q173 A174 G175	E171-Q173 VanDerWaalsContact C-N 3.33Å; E171-Q173 PolarHBondContact O-N 3.3Å; E171-A174 PolarHBondContact O-N 2.89Å; E171-G175 PolarHBondContact O-N 3.04Å
172	Q	51.8	Low	47.5	Very low	169 Å²	169	124 Å²	124	79%	0.79	66%	0.658	S	S	*	*	H	α-helix	trans	-61.1	-37.5	175.5	-71.6	-176.6	-43.1	0	0	113.2	S170 A174 G175 E176	S170-Q172 PolarHBondContact O-N 3.36Å; S170-Q172 VanDerWaalsContact O-N 3.1Å; Q172-A174 VanDerWaalsContact C-N 3.32Å; Q172-A174 PolarHBondContact O-N 2.78Å; Q172-G175 PolarHBondContact O-N 2.97Å; Q172-E176 PolarHBondContact O-N 3.13Å
173	Q	49	Very low	48.6	Very low	100 Å²	100	120.4 Å²	120.4	47%	0.467	64%	0.644	S	S	.	*	H	α-helix	trans	-71.6	-27.3	-179.4	-67.4	177.9	-44.1	0	0	112.4	S170 E171 I177	S170-Q173 PolarHBondContact O-N 2.77Å; S170-Q173 PolarHBondContact OG-OE1 2.98Å; E171-Q173 VanDerWaalsContact C-N 3.33Å; E171-Q173 PolarHBondContact O-N 3.3Å; Q173-I177 WeakPolarHBondContact O-CD1 3.21Å; Q173-I177 WeakPolarHBondContact O-CG1 3.14Å
174	A	53.9	Low	49.5	Very low	57 Å²	57	119 Å²	119	47%	0.471	63%	0.633	S	S	.	*	H	α-helix	trans	-70.2	-37.7	172	0	0	0	0	0	111.8	E171 Q172 L178	E171-A174 PolarHBondContact O-N 2.89Å; Q172-A174 VanDerWaalsContact C-N 3.32Å; Q172-A174 PolarHBondContact O-N 2.78Å; A174-L178 PolarHBondContact O-N 3.29Å
175	G	62	Low	51	Low	40 Å²	40	117.2 Å²	117.2	41%	0.412	62%	0.623	S	S	.	*	H	α-helix	trans	-63.6	-43.1	178.7	0	0	0	0	0	113.8	E171 Q172 I177 L178 A179	E171-G175 PolarHBondContact O-N 3.04Å; Q172-G175 PolarHBondContact O-N 2.97Å; G175-I177 PolarHBondContact O-N 3.01Å; G175-L178 PolarHBondContact O-N 3.34Å; G175-A179 PolarHBondContact O-N 2.95Å
176	E	59.1	Low	51.9	Low	139 Å²	139	117.1 Å²	117.1	65%	0.65	62%	0.622	S	S	*	*	H	α-helix	trans	-66	-38.4	179.7	-66.7	-171.4	140.5	0	0	112.7	Q172 A179 Q180	Q172-E176 PolarHBondContact O-N 3.13Å; E176-A179 PolarHBondContact O-N 3.43Å; E176-Q180 WeakPolarHBondContact O-CG 3.17Å; E176-Q180 PolarHBondContact O-N 2.86Å; E176-Q180 VanDerWaalsContact O-N 3.08Å
177	I	58.8	Low	52.6	Low	111 Å²	111	116.8 Å²	116.8	57%	0.569	62%	0.616	S	S	*	*	H	α-helix	trans	-64.9	-43.7	176.6	-64.8	169.1	0	0	0	110.5	Q173 G175 A179 Q180 V181	Q173-I177 WeakPolarHBondContact O-CD1 3.21Å; Q173-I177 WeakPolarHBondContact O-CG1 3.14Å; G175-I177 PolarHBondContact O-N 3.01Å; I177-A179 PolarHBondContact O-N 3.41Å; I177-Q180 PolarHBondContact O-N 3.27Å; I177-V181 WeakPolarHBondContact O-CG2 3.49Å; I177-V181 PolarHBondContact O-N 3.24Å; I177-V181 VanDerWaalsContact O-N 3.08Å
178	L	50.8	Low	53.4	Low	109 Å²	109	113.3 Å²	113.3	57%	0.571	60%	0.602	S	S	*	*	H	α-helix	trans	-60.4	-43.3	175.2	-96.2	159.5	0	0	0	112.4	A174 G175 Q180 V181 L182	A174-L178 PolarHBondContact O-N 3.29Å; G175-L178 PolarHBondContact O-N 3.34Å; L178-Q180 PolarHBondContact O-N 2.86Å; L178-V181 PolarHBondContact O-N 3.4Å; L178-L182 WeakPolarHBondContact O-CG 3.37Å; L178-L182 PolarHBondContact O-N 3.33Å; L178-L182 VanDerWaalsContact O-N 3.09Å
179	A	64.1	Low	53.9	Low	62 Å²	62	115.3 Å²	115.3	51%	0.512	60%	0.6	S	S	.	*	H	α-helix	trans	-62.1	-41.5	177.5	0	0	0	0	0	112.4	G175 E176 I177 S183	G175-A179 PolarHBondContact O-N 2.95Å; E176-A179 PolarHBondContact O-N 3.43Å; I177-A179 PolarHBondContact O-N 3.41Å; A179-S183 PolarHBondContact O-N 2.69Å
180	Q	66.1	Low	53.9	Low	141 Å²	141	117.4 Å²	117.4	66%	0.659	60%	0.603	S	S	*	*	H	α-helix	trans	-64.6	-47	176.8	-72.1	-177.2	8.7	0	0	112.2	E176 I177 L178 L182 S183 H184	E176-Q180 WeakPolarHBondContact O-CG 3.17Å; E176-Q180 PolarHBondContact O-N 2.86Å; E176-Q180 VanDerWaalsContact O-N 3.08Å; I177-Q180 PolarHBondContact O-N 3.27Å; L178-Q180 PolarHBondContact O-N 2.86Å; Q180-L182 PolarHBondContact O-N 3.48Å; Q180-S183 PolarHBondContact O-N 2.99Å; Q180-S183 PolarHBondContact O-OG 3.31Å; Q180-H184 PolarHBondContact O-N 3.28Å
181	V	67.5	Low	53.2	Low	91 Å²	91	119.3 Å²	119.3	55%	0.552	61%	0.612	S	S	*	*	H	α-helix	trans	-60.2	-45.5	179.3	171.9	0	0	0	0	111.9	I177 L178 S183 H184 Q185	I177-V181 WeakPolarHBondContact O-CG2 3.49Å; I177-V181 PolarHBondContact O-N 3.24Å; I177-V181 VanDerWaalsContact O-N 3.08Å; L178-V181 PolarHBondContact O-N 3.4Å; V181-S183 VanDerWaalsContact C-N 3.33Å; V181-S183 PolarHBondContact O-N 3.21Å; V181-H184 PolarHBondContact O-N 2.87Å; V181-Q185 PolarHBondContact O-N 2.63Å
182	L	56.4	Low	52.5	Low	106 Å²	106	122.8 Å²	122.8	56%	0.555	62%	0.618	S	S	*	*	H	α-helix	trans	-64.4	-36.5	179.5	-70.1	170.4	0	0	0	112.4	L178 Q180 H184 Q185	L178-L182 WeakPolarHBondContact O-CG 3.37Å; L178-L182 PolarHBondContact O-N 3.33Å; L178-L182 VanDerWaalsContact O-N 3.09Å; Q180-L182 PolarHBondContact O-N 3.48Å; L182-H184 VanDerWaalsContact C-N 3.3Å; L182-H184 PolarHBondContact O-N 3.25Å; L182-Q185 PolarHBondContact O-N 3.21Å
183	S	53.3	Low	51.5	Low	72 Å²	72	127 Å²	127	50%	0.503	63%	0.626	S	S	.	*	H	α-helix	trans	-62.9	-36.1	175.5	80.7	0	0	0	0	112.8	A179 Q180 V181	A179-S183 PolarHBondContact O-N 2.69Å; Q180-S183 PolarHBondContact O-N 2.99Å; Q180-S183 PolarHBondContact O-OG 3.31Å; V181-S183 VanDerWaalsContact C-N 3.33Å; V181-S183 PolarHBondContact O-N 3.21Å
184	H	54.3	Low	50.6	Low	111 Å²	111	127.7 Å²	127.7	51%	0.514	64%	0.643	S	S	.	*	H	α-helix	trans	-74.2	-35.7	-176.5	-152.1	74.2	0	0	0	111.9	Q180 V181 L182 Q186 Q187	Q180-H184 PolarHBondContact O-N 3.28Å; V181-H184 PolarHBondContact O-N 2.87Å; L182-H184 VanDerWaalsContact C-N 3.3Å; L182-H184 PolarHBondContact O-N 3.25Å; H184-Q186 VanDerWaalsContact C-N 3.34Å; H184-Q186 PolarHBondContact O-N 3.22Å; H184-Q187 PolarHBondContact O-N 3.2Å
185	Q	57.9	Low	49.4	Very low	112 Å²	112	130.2 Å²	130.2	52%	0.523	66%	0.657	S	S	.	*	H	α-helix	trans	-67.2	-32.2	179.7	-155.7	-170.4	92.3	0	0	112.9	V181 L182 Q187 Q188	V181-Q185 PolarHBondContact O-N 2.63Å; L182-Q185 PolarHBondContact O-N 3.21Å; Q185-Q187 VanDerWaalsContact C-N 3.32Å; Q185-Q187 PolarHBondContact O-N 2.82Å; Q185-Q188 PolarHBondContact O-N 3.2Å
186	Q	50	Low	47.9	Very low	160 Å²	160	133.9 Å²	133.9	75%	0.748	68%	0.676	S	S	*	*	H	α-helix	trans	-68.7	-25.7	176.8	-79.3	-165.9	-4	0	0	114.1	H184	H184-Q186 VanDerWaalsContact C-N 3.34Å; H184-Q186 PolarHBondContact O-N 3.22Å
187	Q	48.8	Very low	46.7	Very low	143 Å²	143	136.5 Å²	136.5	67%	0.668	69%	0.685	S	S	*	*	H	α-helix	trans	-74	-35.8	178	-69.2	-173.9	-16.7	0	0	112	H184 Q185 K190	H184-Q187 PolarHBondContact O-N 3.2Å; Q185-Q187 VanDerWaalsContact C-N 3.32Å; Q185-Q187 PolarHBondContact O-N 2.82Å; Q187-K190 PolarHBondContact O-N 3.36Å
188	Q	48.6	Very low	45.8	Very low	133 Å²	133	136.7 Å²	136.7	62%	0.621	69%	0.694	S	S	*	*	H	α-helix	trans	-71.6	-31.5	-177	-61.4	-172.6	6.5	0	0	113.3	Q185 K190	Q185-Q188 PolarHBondContact O-N 3.2Å; Q188-K190 PolarHBondContact O-N 3.08Å; Q188-K190 VanDerWaalsContact O-N 3.12Å
189	K	44.8	Very low	44.7	Very low	176 Å²	176	136.4 Å²	136.4	77%	0.765	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.8	-0.8	178.8	-76.9	-175	173.7	176.7	0	114.9
190	K	38.9	Very low	42.8	Very low	190 Å²	190	136.7 Å²	136.7	83%	0.826	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.7	-5.5	-179.8	-104.9	178.4	179.4	174.3	0	116	Q187 Q188	Q187-K190 PolarHBondContact O-N 3.36Å; Q188-K190 PolarHBondContact O-N 3.08Å; Q188-K190 VanDerWaalsContact O-N 3.12Å
191	T	36.3	Very low	40.8	Very low	106 Å²	106	135.6 Å²	135.6	65%	0.65	72%	0.724	S	S	*	*	S	Bend	trans	-126.5	75.8	-171.7	52	0	0	0	0	114.8
192	R	30.6	Very low	38.8	Very low	251 Å²	251	136.7 Å²	136.7	95%	0.947	73%	0.731	S	S	*	*			trans	174.9	109.1	143.7	-97	153.8	-170.1	-143.4	0.8	112.4
193	R	30.8	Very low	37.5	Very low	256 Å²	256	141.7 Å²	141.7	97%	0.966	74%	0.742	S	S	*	*			trans	-160	91	166.7	-133.5	-173.2	-169.1	-153.4	5	113.7
194	S	29.1	Very low	36.3	Very low	116 Å²	116	141.7 Å²	141.7	81%	0.811	74%	0.742	S	S	*	*			trans	170.5	150.2	172	50	0	0	0	0	107.6
195	S	29.7	Very low	35.1	Very low	110 Å²	110	144.9 Å²	144.9	77%	0.769	75%	0.751	S	S	*	*			cis	-178.7	154.1	-2.6	40.8	0	0	0	0	107.1
196	S	30.6	Very low	33.9	Very low	116 Å²	116	146.1 Å²	146.1	81%	0.811	76%	0.76	S	S	*	*			cis	-162.7	-172.6	-3.3	54	0	0	0	0	110.9
197	K	33	Very low	32.8	Very low	194 Å²	194	145.9 Å²	145.9	84%	0.843	76%	0.764	S	S	*	*			trans	-78.8	176.3	166.9	-93.9	179.5	-178.1	178.8	0	111.3
198	P	41.3	Very low	32.4	Very low	116 Å²	116	144.2 Å²	144.2	75%	0.753	77%	0.765	S	S	*	*			cis	-150.2	174.6	31.4	45	-24.6	0	0	0	121
199	A	26.5	Very low	32.1	Very low	103 Å²	103	143.1 Å²	143.1	85%	0.851	77%	0.769	S	S	*	*			trans	46	152.4	144	0	0	0	0	0	123.3
200	G	24.3	Very low	31.2	Very low	68 Å²	68	141.1 Å²	141.1	70%	0.701	77%	0.772	S	S	*	*			cis	143.1	153	-10.2	0	0	0	0	0	115.5
201	S	24.9	Very low	30.7	Very low	118 Å²	118	138 Å²	138	83%	0.825	77%	0.769	S	S	*	*			trans	70.5	161.5	174.9	-106.7	0	0	0	0	116.5
202	T	25.6	Very low	30.6	Very low	113 Å²	113	138.9 Å²	138.9	69%	0.693	78%	0.776	S	S	*	*			cis	-151.6	152.8	20.5	-20.9	0	0	0	0	113
203	R	29	Very low	30.5	Very low	212 Å²	212	131.2 Å²	131.2	80%	0.8	77%	0.767	S	S	*	*			trans	34.5	155.8	140.6	-83.5	179.9	167.6	165.1	-5.1	122.3
204	S	27.7	Very low	30.9	Very low	71 Å²	71	125.2 Å²	125.2	50%	0.497	76%	0.761	S	S	.	*			cis	166.5	160	-22.8	54.4	0	0	0	0	107.9
205	Y	29.6	Very low	30.8	Very low	178 Å²	178	123 Å²	123	70%	0.698	76%	0.756	S	S	*	*				162.2	145.6	123.7	-92.4	-58.4	0	0	0	115
206	L	31.4	Very low	30.8	Very low	138 Å²	138	123.7 Å²	123.7	72%	0.723	76%	0.761	S	S	*	*			trans	58.2	108.4	152.3	-57.5	166.6	0	0	0	117.7
207	L	27.9	Very low	31	Very low	156 Å²	156	122.2 Å²	122.2	82%	0.817	76%	0.756	S	S	*	*				95.9	153.4	73.7	-82.8	-173.2	0	0	0	113.2
208	P	41	Very low	31	Very low	107 Å²	107	119 Å²	119	70%	0.695	75%	0.753	S	S	*	*			trans	-106.1	-157.2	-161.5	47.2	-40.6	0	0	0	111.3
209	P	41	Very low	30.3	Very low	110 Å²	110	121 Å²	121	71%	0.714	75%	0.754	S	S	*	*			cis	-134.4	-155.5	-5.9	27.3	-0.3	0	0	0	113.6
210	V	26.6	Very low	30.3	Very low	135 Å²	135	122.9 Å²	122.9	82%	0.818	75%	0.745	S	S	*	*			trans	92.6	122.9	156.2	-175.5	0	0	0	0	118.9
211	T	27.6	Very low	30.4	Very low	124 Å²	124	125.3 Å²	125.3	76%	0.761	74%	0.741	S	S	*	*			trans	-81.3	173.4	169.2	51.1	0	0	0	0	113.1
212	P	34.8	Very low	30.5	Very low	124 Å²	124	128 Å²	128	81%	0.805	74%	0.741	S	S	*	*			cis	-126.6	-169.7	-9.2	29.7	-6.9	0	0	0	113.1
213	A	28.1	Very low	30.5	Very low	91 Å²	91	130.1 Å²	130.1	75%	0.752	75%	0.746	S	S	*	*			trans	-71.3	163.8	177.7	0	0	0	0	0	114.1
214	P	39.3	Very low	30.6	Very low	129 Å²	129	126.9 Å²	126.9	84%	0.838	74%	0.744	S	S	*	*				-151.2	166.7	97.5	40.2	-24.7	0	0	0	116.7
215	G	26.6	Very low	30.6	Very low	69 Å²	69	129.9 Å²	129.9	71%	0.711	76%	0.759	S	S	*	*			trans	122.9	114.3	136.3	0	0	0	0	0	119.7
216	S	29.4	Very low	30.5	Very low	125 Å²	125	125.5 Å²	125.5	87%	0.874	76%	0.76	S	S	*	*			trans	91.8	143.3	157.5	81	0	0	0	0	119
217	A	34.6	Very low	30.4	Very low	86 Å²	86	127.9 Å²	127.9	71%	0.711	77%	0.768	S	S	*	*			cis	-173.1	156.6	-21.8	0	0	0	0	0	109
218	T	34.8	Very low	30.3	Very low	127 Å²	127	124.9 Å²	124.9	78%	0.779	77%	0.765	S	S	*	*			cis	-170	172	-27	42.4	0	0	0	0	105.1
219	M	26.2	Very low	29.7	Very low	158 Å²	158	127.8 Å²	127.8	78%	0.778	77%	0.774	S	S	*	*			cis	-148.2	159.8	20	-74.7	-166.1	-67.4	0	0	107.7
220	H	26.1	Very low	29	Very low	141 Å²	141	126.5 Å²	126.5	65%	0.653	77%	0.773	S	S	*	*			cis	-154.3	157.1	-3.2	-126.9	70.8	0	0	0	109.3
221	L	26.2	Very low	29	Very low	120 Å²	120	128 Å²	128	63%	0.628	78%	0.776	S	S	*	*			trans	3.6	153.5	142.8	-77	58.7	0	0	0	119.8
222	Q	27.7	Very low	28.9	Very low	175 Å²	175	125.4 Å²	125.4	82%	0.818	77%	0.774	S	S	*	*			cis	-163.5	-175.9	6.8	-131.9	160.3	-5.3	0	0	114.1
223	I	25.6	Very low	28.5	Very low	156 Å²	156	125.4 Å²	125.4	80%	0.8	78%	0.777	S	S	*	*			trans	-86.1	166.6	171.7	-69.8	171.4	0	0	0	111.7
224	L	31.3	Very low	28.5	Very low	145 Å²	145	127.1 Å²	127.1	76%	0.759	78%	0.778	S	S	*	*			trans	-38.8	149.6	178.9	-63.4	160	0	0	0	119.2
225	T	27.1	Very low	27.8	Very low	133 Å²	133	127.3 Å²	127.3	82%	0.816	78%	0.777	S	S	*	*			trans	70.1	130.6	142.2	45.8	0	0	0	0	123.8
226	A	26.8	Very low	28.4	Very low	86 Å²	86	129.4 Å²	129.4	71%	0.711	78%	0.778	S	S	*	*			trans	96.3	116.7	136.7	0	0	0	0	0	122.6
227	Q	29.2	Very low	28.3	Very low	189 Å²	189	128.6 Å²	128.6	88%	0.883	77%	0.772	S	S	*	*			trans	70.4	101.7	133.1	-68.8	175.8	-31.8	0	0	123.1
228	A	27.1	Very low	28.1	Very low	92 Å²	92	132.1 Å²	132.1	76%	0.76	77%	0.774	S	S	*	*				94.7	152.1	111.6	0	0	0	0	0	122.8
229	L	26.9	Very low	27.7	Very low	169 Å²	169	132 Å²	132	89%	0.885	76%	0.764	S	S	*	*			trans	83.8	117.7	162.7	-58.1	-177.4	0	0	0	122
230	A	27.2	Very low	27.7	Very low	83 Å²	83	133.6 Å²	133.6	69%	0.686	76%	0.761	S	S	*	*			trans	78.8	121.6	136.1	0	0	0	0	0	122.4
231	D	25.5	Very low	27.7	Very low	166 Å²	166	131.3 Å²	131.3	89%	0.888	76%	0.761	S	S	*	*			trans	49.5	134.9	135.2	-48.6	-23.9	0	0	0	121.8
232	G	26.8	Very low	27.7	Very low	69 Å²	69	135.2 Å²	135.2	71%	0.711	77%	0.773	S	S	*	*			cis	163.3	164.3	-4.9	0	0	0	0	0	113.5
233	S	25.7	Very low	27.4	Very low	125 Å²	125	135.5 Å²	135.5	87%	0.874	78%	0.775	S	S	*	*			trans	67.8	155.7	175.3	-119.3	0	0	0	0	116.4
234	T	27.6	Very low	27.8	Very low	126 Å²	126	133.2 Å²	133.2	77%	0.773	77%	0.77	S	S	*	*			cis	-131.9	142	3.9	49.5	0	0	0	0	113.5
235	V	25.3	Very low	27.5	Very low	134 Å²	134	132.2 Å²	132.2	81%	0.812	77%	0.77	S	S	*	*			trans	-93.1	155.5	162.4	-178.7	0	0	0	0	105.5
236	P	40.3	Very low	27.5	Very low	113 Å²	113	133 Å²	133	73%	0.734	77%	0.768	S	S	*	*				-167.1	168	71.2	46	-22.1	0	0	0	123.6
237	S	27.4	Very low	27.4	Very low	107 Å²	107	136.1 Å²	136.1	75%	0.748	77%	0.772	S	S	*	*			trans	76.3	150.8	137	-96.1	0	0	0	0	121.2
238	Q	29.1	Very low	27.1	Very low	160 Å²	160	132.2 Å²	132.2	75%	0.748	77%	0.766	S	S	*	*			cis	-113.2	-150.2	-4.5	-61.8	-169.1	54.3	0	0	109.9
239	H	27.1	Very low	27.1	Very low	125 Å²	125	132.5 Å²	132.5	58%	0.579	77%	0.768	S	S	*	*			cis	-165.2	177.8	2.8	-139.8	22.4	0	0	0	106.2
240	R	25.2	Very low	27	Very low	191 Å²	191	133.1 Å²	133.1	72%	0.721	77%	0.771	S	S	*	*			cis	-155	104.9	-0.3	173.1	169.5	-85.8	-161.7	-2.4	110.2
241	S	26.5	Very low	26.9	Very low	93 Å²	93	132.7 Å²	132.7	65%	0.65	77%	0.774	S	S	*	*			trans	43.9	129.8	148.2	70.1	0	0	0	0	123.4
242	K	25.7	Very low	27.1	Very low	203 Å²	203	133.8 Å²	133.8	88%	0.883	77%	0.774	S	S	*	*				169.5	145.9	104.8	-91.6	180	-177.5	-176.4	0	114.1
243	Q	21.6	Very low	27	Very low	181 Å²	181	136.5 Å²	136.5	85%	0.846	78%	0.783	S	S	*	*			trans	-101	178.4	165.6	-111	-175	-8.6	0	0	109.4
244	P	35	Very low	27.1	Very low	108 Å²	108	136.6 Å²	136.6	70%	0.701	78%	0.783	S	S	*	*			cis	-118.5	-150.6	21	24.1	3	0	0	0	111.9
245	T	25	Very low	27.1	Very low	123 Å²	123	136.6 Å²	136.6	76%	0.755	79%	0.788	S	S	*	*			cis	-156.9	164.1	18.2	-36.3	0	0	0	0	114.8
246	L	25.8	Very low	27.2	Very low	149 Å²	149	135 Å²	135	78%	0.78	79%	0.789	S	S	*	*			trans	-64.5	175.4	168.4	-58.2	167	0	0	0	113.8
247	L	25.2	Very low	26.5	Very low	153 Å²	153	138.6 Å²	138.6	80%	0.801	79%	0.793	S	S	*	*			cis	-155.9	-173.5	19.6	-136.8	160.2	0	0	0	111.5
248	S	23.3	Very low	26.4	Very low	107 Å²	107	140.1 Å²	140.1	75%	0.748	79%	0.792	S	S	*	*			trans	-97.2	156.8	-163.4	-39.8	0	0	0	0	116.8
249	A	26.1	Very low	26.2	Very low	97 Å²	97	140.8 Å²	140.8	80%	0.802	80%	0.795	S	S	*	*			trans	-175.1	138.7	131.8	0	0	0	0	0	115.5
250	L	26.7	Very low	26.3	Very low	183 Å²	183	141.5 Å²	141.5	96%	0.958	81%	0.808	S	S	*	*			trans	7.6	134.1	151.2	-64.1	160.3	0	0	0	121
251	G	24.5	Very low	26.5	Very low	73 Å²	73	140.4 Å²	140.4	75%	0.753	82%	0.816	S	S	*	*			trans	-166.8	5	177.4	0	0	0	0	0	123.4
252	Q	29.4	Very low	26.8	Very low	190 Å²	190	144.2 Å²	144.2	89%	0.888	82%	0.823	S	S	*	*			trans	59.4	164.2	170.7	-68	-175.6	-13.1	0	0	120.1
253	S	25	Very low	27	Very low	126 Å²	126	141.9 Å²	141.9	88%	0.881	82%	0.82	S	S	*	*			trans	65.2	122	175.2	72.2	0	0	0	0	117.6
254	S	28	Very low	27.7	Very low	127 Å²	127	137.5 Å²	137.5	89%	0.888	82%	0.823	S	S	*	*			trans	-86.8	130.8	-179.6	52.7	0	0	0	0	112.3
255	S	26.9	Very low	27.6	Very low	125 Å²	125	139.6 Å²	139.6	87%	0.874	83%	0.827	S	S	*	*			trans	-139.9	113.9	163.2	-174.8	0	0	0	0	110.1
256	A	27	Very low	27.8	Very low	100 Å²	100	142.7 Å²	142.7	83%	0.826	83%	0.833	S	S	*	*			trans	-95.5	115.1	179.5	0	0	0	0	0	110.6
257	K	26.6	Very low	27.9	Very low	190 Å²	190	146.6 Å²	146.6	83%	0.826	84%	0.837	S	S	*	*			trans	-61.8	156.1	147.4	-78.5	-177.1	169.2	-176.1	0	108.8
258	L	25.3	Very low	28	Very low	138 Å²	138	146 Å²	146	72%	0.723	83%	0.834	S	S	*	*			cis	-153.1	155.5	1.7	-158.2	79.6	0	0	0	107.5
259	E	25	Very low	28.1	Very low	175 Å²	175	149.1 Å²	149.1	82%	0.818	84%	0.837	S	S	*	*				165.6	151.3	121.7	-92.2	172.1	-171	0	0	111.4
260	V	28.6	Very low	28.2	Very low	140 Å²	140	153.3 Å²	153.3	85%	0.848	84%	0.838	S	S	*	*			trans	-134.3	116.3	180	175.9	0	0	0	0	108
261	L	29.3	Very low	28.1	Very low	168 Å²	168	156.3 Å²	156.3	88%	0.88	84%	0.836	S	S	*	*			trans	-123.4	156.5	163.1	-89.2	165.4	0	0	0	108.8
262	E	32.1	Very low	28.4	Very low	173 Å²	173	160.5 Å²	160.5	81%	0.808	84%	0.84	S	S	*	*	S	Bend	trans	-77.9	171.2	-163.3	-63	177.3	113	0	0	113.5
263	N	31.7	Very low	28.3	Very low	154 Å²	154	155.7 Å²	155.7	82%	0.824	83%	0.833	S	S	*	*			trans	76.9	72.9	-175.4	-47.4	-47.5	0	0	0	114.5	I265	N263-I265 PolarHBondContact O-N 3.33Å
264	G	35.7	Very low	28.7	Very low	88 Å²	88	156.2 Å²	156.2	91%	0.907	83%	0.834	S	S	*	*			trans	-68.8	87.5	-179.2	0	0	0	0	0	114.8
265	I	32.4	Very low	28.6	Very low	153 Å²	153	153.7 Å²	153.7	79%	0.785	83%	0.828	S	S	*	*			trans	-119.3	100.3	163.5	-57.8	177.5	0	0	0	107.8	N263 R267	N263-I265 PolarHBondContact O-N 3.33Å; I265-R267 PolarHBondContact O-N 2.85Å
266	Q	29.9	Very low	29	Very low	187 Å²	187	153.1 Å²	153.1	87%	0.874	83%	0.831	S	S	*	*			trans	-78.8	113.4	175.8	-80.8	-175	-22.1	0	0	111
267	R	26.9	Very low	29.2	Very low	231 Å²	231	151.6 Å²	151.6	87%	0.872	83%	0.825	S	S	*	*			trans	-76	137.8	159.8	-80	179.2	162.1	177.4	-5.8	109.4	I265	I265-R267 PolarHBondContact O-N 2.85Å
268	L	28.4	Very low	29.7	Very low	141 Å²	141	151.2 Å²	151.2	74%	0.738	83%	0.826	S	S	*	*			trans	-123.2	99.6	174.3	-115.6	161	0	0	0	108.7	F270	L268-F270 HydrophobicContact CD2-CE2 4.48Å
269	E	25.6	Very low	30.3	Very low	173 Å²	173	153.3 Å²	153.3	81%	0.808	83%	0.832	S	S	*	*			trans	-82.3	116.8	175.5	-67.6	-173.1	158.7	0	0	110.5	R271	E269-R271 PolarHBondContact O-N 2.9Å
270	F	26.5	Very low	30.8	Very low	185 Å²	185	153.9 Å²	153.9	81%	0.811	84%	0.835	S	S	*	*			trans	-88.4	101.7	168.1	-97.4	-86.7	0	0	0	110.7	L268 L272	L268-F270 HydrophobicContact CD2-CE2 4.48Å; F270-L272 PolarHBondContact O-N 3.27Å
271	R	26.1	Very low	31.5	Very low	245 Å²	245	156.5 Å²	156.5	93%	0.925	84%	0.838	S	S	*	*			trans	-84.1	90.7	-179.5	-162.9	-177.1	-150.6	154.6	7.5	111	E269	E269-R271 PolarHBondContact O-N 2.9Å
272	L	29.7	Very low	31.5	Very low	161 Å²	161	156.9 Å²	156.9	84%	0.843	84%	0.835	S	S	*	*			trans	-78.9	138.3	168.9	-72.4	171	0	0	0	110.8	F270	F270-L272 PolarHBondContact O-N 3.27Å
273	A	27.5	Very low	31.2	Very low	90 Å²	90	154.5 Å²	154.5	74%	0.744	84%	0.838	S	S	*	*			trans	-79.4	150.3	179.1	0	0	0	0	0	111.5	G275	A273-G275 PolarHBondContact O-N 3.26Å
274	P	33.2	Very low	31	Very low	136 Å²	136	152.2 Å²	152.2	88%	0.883	84%	0.84	S	S	*	*			trans	-74.8	113.9	-173.9	29.1	-34.6	0	0	0	112.7
275	G	26.8	Very low	30.6	Very low	75 Å²	75	156.6 Å²	156.6	77%	0.773	84%	0.837	S	S	*	*			trans	-91.3	133.1	156.9	0	0	0	0	0	109.9	A273	A273-G275 PolarHBondContact O-N 3.26Å
276	A	34.8	Very low	30.2	Very low	112 Å²	112	156.9 Å²	156.9	93%	0.926	84%	0.839	S	S	*	*			trans	-85.8	132.6	-176.1	0	0	0	0	0	112.3
277	G	32.3	Very low	30.2	Very low	69 Å²	69	153.2 Å²	153.2	71%	0.711	83%	0.83	S	S	*	*			trans	154.5	103.6	167.2	0	0	0	0	0	116.1
278	Q	35.4	Very low	30.2	Very low	182 Å²	182	147 Å²	147	85%	0.85	82%	0.817	S	S	*	*			trans	49.4	112.6	147.2	-65.6	175.2	-23.5	0	0	120.8
279	Q	39.2	Very low	30.3	Very low	182 Å²	182	147.3 Å²	147.3	85%	0.85	82%	0.818	S	S	*	*			trans	37.7	102.6	134.4	-64.1	176.9	-32.4	0	0	119.5
280	Q	35	Very low	30.6	Very low	187 Å²	187	145.8 Å²	145.8	87%	0.874	81%	0.81	S	S	*	*				-161.5	158.4	118	-111.6	170.7	8.8	0	0	112.6
281	Q	42.4	Very low	32	Very low	194 Å²	194	140.3 Å²	140.3	91%	0.907	79%	0.793	S	S	*	*			trans	-106	108.4	-169.6	-178	176.8	-0.1	0	0	110
282	Q	29.4	Very low	33.3	Very low	177 Å²	177	133.9 Å²	133.9	83%	0.827	77%	0.77	S	S	*	*			trans	-137.7	131	174.3	-67.6	-172.2	-4.5	0	0	110.6
283	S	27.3	Very low	34.3	Very low	123 Å²	123	131.6 Å²	131.6	86%	0.86	76%	0.755	S	S	*	*			trans	-82.7	117.6	176.8	49.6	0	0	0	0	110.7	E285	S283-E285 PolarHBondContact O-N 3.21Å
284	A	26.8	Very low	35.6	Very low	106 Å²	106	127.6 Å²	127.6	88%	0.876	72%	0.722	S	S	*	*			trans	-78.1	111.3	173.8	0	0	0	0	0	110.7
285	E	27.4	Very low	36.4	Very low	179 Å²	179	126.9 Å²	126.9	84%	0.836	72%	0.72	S	S	*	*			trans	-84.5	114.1	178.1	-170.6	170.9	-138.8	0	0	110.5	S283 V287	S283-E285 PolarHBondContact O-N 3.21Å; E285-V287 PolarHBondContact O-N 3.16Å
286	L	24.4	Very low	37.4	Very low	159 Å²	159	130.5 Å²	130.5	83%	0.832	72%	0.717	S	S	*	*			trans	-87.4	84.9	-172.8	-167.1	85.1	0	0	0	112	V288	L286-V288 HydrophobicContact CD2-CG2 4.26Å; L286-V288 PolarHBondContact O-N 2.86Å
287	V	28.5	Very low	38.4	Very low	111 Å²	111	127.5 Å²	127.5	67%	0.673	69%	0.688	S	S	*	*			trans	-76.9	104.9	174	-176.1	0	0	0	0	110.7	E285 I289	E285-V287 PolarHBondContact O-N 3.16Å; V287-I289 HydrophobicContact CG1-CG1 4.04Å; V287-I289 PolarHBondContact O-N 2.91Å
288	V	26.6	Very low	39.6	Very low	101 Å²	101	127.4 Å²	127.4	61%	0.612	68%	0.68	S	S	*	*			trans	-80.4	104.7	172.7	-179.5	0	0	0	0	109.7	L286	L286-V288 HydrophobicContact CD2-CG2 4.26Å; L286-V288 PolarHBondContact O-N 2.86Å
289	I	30.4	Very low	40.6	Very low	147 Å²	147	123.1 Å²	123.1	75%	0.754	66%	0.663	S	S	*	*			trans	-89.9	113	173.3	-56.8	178.3	0	0	0	108.7	V287	V287-I289 HydrophobicContact CG1-CG1 4.04Å; V287-I289 PolarHBondContact O-N 2.91Å
290	H	33.8	Very low	41.3	Very low	140 Å²	140	119.3 Å²	119.3	65%	0.648	65%	0.648	S	S	*	*			trans	-77.7	139	167.5	-76.9	-74.4	0	0	0	110.6
291	P	54.3	Low	42.1	Very low	70 Å²	70	112.2 Å²	112.2	46%	0.455	61%	0.614	S	S	.	*	S	Bend	trans	-74.3	133.7	-178.4	30.3	-34.5	0	0	0	111.7
292	Y	54	Low	42.2	Very low	110 Å²	110	111.4 Å²	111.4	43%	0.431	61%	0.61	S	S	.	*			trans	58.2	85.6	164.2	-43.8	-61.7	0	0	0	117.7	F301 P304 F307	Y292-F301 PolarHBondContact O-N 3.31Å; Y292-P304 HydrophobicContact CD2-CB 4.26Å; Y292-P304 HydrophobicContact CE1-CB 4.47Å; Y292-P304 HydrophobicContact CE2-CB 3.76Å; Y292-P304 HydrophobicContact CE2-CG 4.21Å; Y292-F307 HydrophobicContact CD1-CD1 4.4Å; Y292-F307 HydrophobicContact CG-CB 4.44Å; Y292-F307 HydrophobicContact CG-CG 4.33Å
293	E	50.6	Low	42.9	Very low	113 Å²	113	105.2 Å²	105.2	53%	0.528	59%	0.585	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-94.9	133.1	162.3	-168	-175.5	156.7	0	0	111.4	S295 A298 L299 L300 F307	E293-S295 PolarHBondContact O-N 3.21Å; E293-A298 WeakPolarHBondContact OE1-CA 3.44Å; E293-A298 WeakPolarHBondContact OE1-CB 3.32Å; E293-L299 WeakPolarHBondContact CA-O 3.48Å; E293-L300 HydrophobicContact CB-CD2 3.69Å; E293-L300 HydrophobicContact CG-CD2 3.81Å; E293-F307 WeakPolarHBondContact O-CE2 3.43Å
294	C	55.9	Low	43.6	Very low	7 Å²	7	102.1 Å²	102.1	5%	0.047	56%	0.562	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-82.7	109.7	174.3	179.7	0	0	0	0	111.8	E296 C297 A298 L299 F301 F307	C294-E296 PolarHBondContact O-N 3.13Å; C294-E296 VanDerWaalsContact O-N 3.07Å; C294-C297 VanDerWaalsContact CB-SG 3.51Å; C294-C297 PolarHBondContact O-N 2.76Å; C294-A298 WeakPolarHBondContact O-CA 3.35Å; C294-A298 PolarHBondContact O-N 2.83Å; C294-L299 PolarHBondContact N-O 2.98Å; C294-F301 HydrophobicContact CB-CD2 4.5Å; C294-F301 HydrophobicContact CB-CE2 3.96Å; C294-F307 HydrophobicContact CB-CE2 4.24Å
295	S	48.1	Very low	44.5	Very low	120 Å²	120	104.4 Å²	104.4	84%	0.839	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.5	-10.4	-173.4	58	0	0	0	0	116.2	E293	E293-S295 PolarHBondContact O-N 3.21Å
296	E	48.1	Very low	45.4	Very low	152 Å²	152	100.1 Å²	100.1	71%	0.71	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-17.6	172.9	-65	-156.7	170.3	0	0	114	C294 H314	C294-E296 PolarHBondContact O-N 3.13Å; C294-E296 VanDerWaalsContact O-N 3.07Å; E296-H314 IonicContact OE2-CE1 3.64Å; E296-H314 PolarHBondContact OE2-CE1 3.31Å; E296-H314 IonicContact OE2-CG 3.5Å; E296-H314 IonicContact OE2-ND1 3.97Å; E296-H314 PolarHBondContact OE2-ND1 2.89Å
297	C	56.4	Low	46.8	Very low	49 Å²	49	94.3 Å²	94.3	33%	0.331	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.4	-8.5	-171.9	71.4	0	0	0	0	115.9	C294 L299 H310	C294-C297 VanDerWaalsContact CB-SG 3.51Å; C294-C297 PolarHBondContact O-N 2.76Å; C297-L299 VanDerWaalsContact C-N 3.28Å; C297-L299 HydrophobicContact CB-CG 4.42Å; C297-L299 PolarHBondContact O-N 3.22Å; C297-H310 PolarHBondContact SG-NE2 2.9Å
298	A	56.9	Low	47.8	Very low	66 Å²	66	94 Å²	94	55%	0.545	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.6	34.3	-176	0	0	0	0	0	114.5	E293 C294	E293-A298 WeakPolarHBondContact OE1-CA 3.44Å; E293-A298 WeakPolarHBondContact OE1-CB 3.32Å; C294-A298 WeakPolarHBondContact O-CA 3.35Å; C294-A298 PolarHBondContact O-N 2.83Å
299	L	56.6	Low	49	Very low	93 Å²	93	95.9 Å²	95.9	49%	0.487	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	139.1	170.4	-64	177.6	0	0	0	110.5	E293 C294 C297 F301	E293-L299 WeakPolarHBondContact CA-O 3.48Å; C294-L299 PolarHBondContact N-O 2.98Å; C297-L299 VanDerWaalsContact C-N 3.28Å; C297-L299 HydrophobicContact CB-CG 4.42Å; C297-L299 PolarHBondContact O-N 3.22Å; L299-F301 HydrophobicContact CB-CD2 4.49Å; L299-F301 HydrophobicContact CB-CE2 3.58Å; L299-F301 HydrophobicContact CB-CZ 3.88Å; L299-F301 HydrophobicContact CD1-CZ 4.39Å; L299-F301 WeakPolarHBondContact O-CD2 3.4Å; L299-F301 WeakPolarHBondContact O-CE2 3.44Å
300	L	54.4	Low	50.2	Low	102 Å²	102	90.1 Å²	90.1	53%	0.534	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	130.5	-178.2	-64.1	169.1	0	0	0	110.6	E293	E293-L300 HydrophobicContact CB-CD2 3.69Å; E293-L300 HydrophobicContact CG-CD2 3.81Å
301	F	52.7	Low	50.8	Low	38 Å²	38	87.7 Å²	87.7	17%	0.167	46%	0.46	C	S	.	.			trans	-120.6	126.2	-173.3	-67.7	-88.3	0	0	0	111.6	Y292 C294 L299 T303 D306 F307 H310	Y292-F301 PolarHBondContact O-N 3.31Å; C294-F301 HydrophobicContact CB-CD2 4.5Å; C294-F301 HydrophobicContact CB-CE2 3.96Å; L299-F301 HydrophobicContact CB-CD2 4.49Å; L299-F301 HydrophobicContact CB-CE2 3.58Å; L299-F301 HydrophobicContact CB-CZ 3.88Å; L299-F301 HydrophobicContact CD1-CZ 4.39Å; L299-F301 WeakPolarHBondContact O-CD2 3.4Å; L299-F301 WeakPolarHBondContact O-CE2 3.44Å; F301-T303 VanDerWaalsContact C-N 3.3Å; F301-T303 PolarHBondContact O-N 3.25Å; F301-D306 HydrophobicContact CD1-CB 3.9Å; F301-F307 HydrophobicContact CB-CB 3.89Å; F301-F307 HydrophobicContact CD2-CD2 4.07Å; F301-F307 HydrophobicContact CG-CB 4.24Å; F301-H310 HydrophobicContact CE1-CB 3.91Å; F301-H310 HydrophobicContact CE2-CB 4.36Å; F301-H310 AromaticContact CE2-CD2 3.41Å; F301-H310 VanDerWaalsContact CE2-CD2 3.41Å; F301-H310 WeakPolarHBondContact CE2-CD2 3.33Å; F301-H310 HydrophobicContact CZ-CB 3.72Å; F301-H310 AromaticContact CZ-CD2 3.23Å; F301-H310 WeakPolarHBondContact CZ-CD2 3.48Å; F301-H310 AromaticContact CZ-CG 3.42Å; F301-H310 VanDerWaalsContact CZ-CG 3.42Å; F301-H310 AromaticContact CZ-NE2 3.93Å
302	H	43.2	Very low	50.3	Low	176 Å²	176	85.3 Å²	85.3	82%	0.815	45%	0.448	S	S	*	.	S	Bend	trans	-80	-11.2	-174.1	-70.8	50.4	0	0	0	113.5
303	T	45.3	Very low	50.2	Low	48 Å²	48	86.4 Å²	86.4	29%	0.294	46%	0.457	S	S	.	.	S	Bend	trans	-127.5	148	172.3	82.6	0	0	0	0	110.4	F301 E305 D306 F307	F301-T303 VanDerWaalsContact C-N 3.3Å; F301-T303 PolarHBondContact O-N 3.25Å; T303-E305 PolarHBondContact O-N 2.86Å; T303-E305 PolarHBondContact OG1-N 3.23Å; T303-D306 WeakPolarHBondContact CG2-OD2 3.46Å; T303-D306 WeakPolarHBondContact OG1-CB 3.44Å; T303-D306 PolarHBondContact OG1-N 3.08Å; T303-D306 PolarHBondContact OG1-OD2 3.4Å; T303-F307 PolarHBondContact O-N 3.02Å
304	P	40.6	Very low	50.1	Low	58 Å²	58	85.2 Å²	85.2	38%	0.377	45%	0.452	S	S	.	.	H	α-helix	trans	-68.2	-21.7	172.7	27.6	-33.1	0	0	0	112.3	Y292 L308	Y292-P304 HydrophobicContact CD2-CB 4.26Å; Y292-P304 HydrophobicContact CE1-CB 4.47Å; Y292-P304 HydrophobicContact CE2-CB 3.76Å; Y292-P304 HydrophobicContact CE2-CG 4.21Å; P304-L308 WeakPolarHBondContact O-CB 3.26Å; P304-L308 VanDerWaalsContact O-CG 3.23Å; P304-L308 WeakPolarHBondContact O-CG 3.16Å; P304-L308 PolarHBondContact O-N 3.42Å
305	E	45.7	Very low	49.2	Very low	154 Å²	154	93.4 Å²	93.4	72%	0.72	49%	0.487	S	S	*	.	H	α-helix	trans	-73.3	-46.1	179.6	-64	176.1	166.8	0	0	110.9	T303 F307 L308 Q309	T303-E305 PolarHBondContact O-N 2.86Å; T303-E305 PolarHBondContact OG1-N 3.23Å; E305-F307 VanDerWaalsContact C-N 3.32Å; E305-F307 PolarHBondContact O-N 3.31Å; E305-L308 PolarHBondContact O-N 3.49Å; E305-Q309 VanDerWaalsContact O-CB 3.31Å; E305-Q309 WeakPolarHBondContact O-CB 3.25Å; E305-Q309 PolarHBondContact O-N 3.45Å
306	D	47.4	Very low	48.9	Very low	88 Å²	88	94.2 Å²	94.2	47%	0.471	48%	0.481	S	S	.	.	H	α-helix	trans	-61.9	-40.4	172	-64.9	-59.1	0	0	0	111.4	F301 T303 Q309 H310	F301-D306 HydrophobicContact CD1-CB 3.9Å; T303-D306 WeakPolarHBondContact CG2-OD2 3.46Å; T303-D306 WeakPolarHBondContact OG1-CB 3.44Å; T303-D306 PolarHBondContact OG1-N 3.08Å; T303-D306 PolarHBondContact OG1-OD2 3.4Å; D306-Q309 PolarHBondContact O-N 2.86Å; D306-H310 VanDerWaalsContact O-CB 3.3Å; D306-H310 WeakPolarHBondContact O-CB 3.43Å; D306-H310 PolarHBondContact O-N 3.19Å
307	F	54.1	Low	48.2	Very low	37 Å²	37	90.2 Å²	90.2	16%	0.162	48%	0.481	C	S	.	.	H	α-helix	trans	-61.7	-48.9	176.5	174.1	-100.4	0	0	0	112.2	Y292 E293 C294 F301 T303 E305 H310 Q311	Y292-F307 HydrophobicContact CD1-CD1 4.4Å; Y292-F307 HydrophobicContact CG-CB 4.44Å; Y292-F307 HydrophobicContact CG-CG 4.33Å; E293-F307 WeakPolarHBondContact O-CE2 3.43Å; C294-F307 HydrophobicContact CB-CE2 4.24Å; F301-F307 HydrophobicContact CB-CB 3.89Å; F301-F307 HydrophobicContact CD2-CD2 4.07Å; F301-F307 HydrophobicContact CG-CB 4.24Å; T303-F307 PolarHBondContact O-N 3.02Å; E305-F307 VanDerWaalsContact C-N 3.32Å; E305-F307 PolarHBondContact O-N 3.31Å; F307-H310 PolarHBondContact O-N 3.39Å; F307-Q311 WeakPolarHBondContact O-CB 3.14Å; F307-Q311 PolarHBondContact O-N 3.16Å
308	L	48.6	Very low	47.3	Very low	104 Å²	104	95.6 Å²	95.6	55%	0.545	50%	0.501	S	S	.	.	H	α-helix	trans	-67.8	-35.5	178.2	-74.3	169.7	0	0	0	111.8	P304 E305 Q311 G312	P304-L308 WeakPolarHBondContact O-CB 3.26Å; P304-L308 VanDerWaalsContact O-CG 3.23Å; P304-L308 WeakPolarHBondContact O-CG 3.16Å; P304-L308 PolarHBondContact O-N 3.42Å; E305-L308 PolarHBondContact O-N 3.49Å; L308-Q311 PolarHBondContact O-N 3.48Å; L308-G312 PolarHBondContact O-N 3.31Å
309	Q	52.4	Low	46.3	Very low	141 Å²	141	99.3 Å²	99.3	66%	0.659	51%	0.511	S	S	*	.	H	α-helix	trans	-68	-41.6	175.1	-174.1	159.9	-31.4	0	0	111.5	E305 D306 G312 E313	E305-Q309 VanDerWaalsContact O-CB 3.31Å; E305-Q309 WeakPolarHBondContact O-CB 3.25Å; E305-Q309 PolarHBondContact O-N 3.45Å; D306-Q309 PolarHBondContact O-N 2.86Å; Q309-G312 CarbonylContact O-C 3.51Å; Q309-G312 WeakPolarHBondContact O-CA 3.29Å; Q309-G312 PolarHBondContact O-N 2.79Å; Q309-G312 VanDerWaalsContact O-N 3.12Å; Q309-E313 PolarHBondContact O-N 2.3Å
310	H	55.5	Low	45.1	Very low	26 Å²	26	105 Å²	105	12%	0.12	53%	0.532	C	S	.	.	H	α-helix	trans	-64.6	-40.7	173.5	177.9	54.3	0	0	0	112.8	C297 F301 D306 F307 G312 E313 H314	C297-H310 PolarHBondContact SG-NE2 2.9Å; F301-H310 HydrophobicContact CE1-CB 3.91Å; F301-H310 HydrophobicContact CE2-CB 4.36Å; F301-H310 AromaticContact CE2-CD2 3.41Å; F301-H310 VanDerWaalsContact CE2-CD2 3.41Å; F301-H310 WeakPolarHBondContact CE2-CD2 3.33Å; F301-H310 HydrophobicContact CZ-CB 3.72Å; F301-H310 AromaticContact CZ-CD2 3.23Å; F301-H310 WeakPolarHBondContact CZ-CD2 3.48Å; F301-H310 AromaticContact CZ-CG 3.42Å; F301-H310 VanDerWaalsContact CZ-CG 3.42Å; F301-H310 AromaticContact CZ-NE2 3.93Å; D306-H310 VanDerWaalsContact O-CB 3.3Å; D306-H310 WeakPolarHBondContact O-CB 3.43Å; D306-H310 PolarHBondContact O-N 3.19Å; F307-H310 PolarHBondContact O-N 3.39Å; H310-G312 PolarHBondContact O-N 3.49Å; H310-E313 IonicContact ND1-OE2 3.07Å; H310-E313 WeakPolarHBondContact O-CB 3.34Å; H310-E313 PolarHBondContact O-N 3Å; H310-E313 VanDerWaalsContact O-N 3.15Å; H310-H314 AromaticContact CE1-CD2 3.93Å; H310-H314 AromaticContact CE1-NE2 3.7Å; H310-H314 AromaticContact NE2-NE2 3.91Å; H310-H314 PolarHBondContact O-N 3.43Å
311	Q	46.5	Very low	44.1	Very low	89 Å²	89	108.6 Å²	108.6	42%	0.416	55%	0.546	S	S	.	.	H	α-helix	trans	-63.6	-33.6	171.2	-170.8	173.8	66.2	0	0	111.5	F307 L308 H314 F315	F307-Q311 WeakPolarHBondContact O-CB 3.14Å; F307-Q311 PolarHBondContact O-N 3.16Å; L308-Q311 PolarHBondContact O-N 3.48Å; Q311-H314 PolarHBondContact O-N 3.5Å; Q311-F315 PolarHBondContact O-N 3.13Å
312	G	43.1	Very low	43.1	Very low	21 Å²	21	113.9 Å²	113.9	22%	0.216	58%	0.582	C	S	.	*	H	α-helix	trans	-62.9	-37.8	170.2	0	0	0	0	0	113.6	L308 Q309 H310 H314 F315 L316	L308-G312 PolarHBondContact O-N 3.31Å; Q309-G312 CarbonylContact O-C 3.51Å; Q309-G312 WeakPolarHBondContact O-CA 3.29Å; Q309-G312 PolarHBondContact O-N 2.79Å; Q309-G312 VanDerWaalsContact O-N 3.12Å; H310-G312 PolarHBondContact O-N 3.49Å; G312-H314 VanDerWaalsContact C-N 3.3Å; G312-H314 PolarHBondContact O-N 3.06Å; G312-F315 PolarHBondContact O-N 3.41Å; G312-L316 WeakPolarHBondContact O-CB 3.44Å; G312-L316 WeakPolarHBondContact O-CG 3.45Å; G312-L316 PolarHBondContact O-N 3.19Å
313	E	51.3	Low	42.4	Very low	132 Å²	132	109.3 Å²	109.3	62%	0.617	58%	0.583	S	S	*	*	H	α-helix	trans	-63.2	-34.6	174.9	-67.1	-178	143.7	0	0	112.4	Q309 H310 F315	Q309-E313 PolarHBondContact O-N 2.3Å; H310-E313 IonicContact ND1-OE2 3.07Å; H310-E313 WeakPolarHBondContact O-CB 3.34Å; H310-E313 PolarHBondContact O-N 3Å; H310-E313 VanDerWaalsContact O-N 3.15Å; E313-F315 VanDerWaalsContact C-N 3.28Å; E313-F315 PolarHBondContact O-N 3.03Å
314	H	48.8	Very low	41.6	Very low	89 Å²	89	110.6 Å²	110.6	41%	0.412	61%	0.605	S	S	.	*	H	α-helix	trans	-67	-26.6	172.8	-82.8	-125.1	0	0	0	112.9	E296 H310 Q311 G312	E296-H314 IonicContact OE2-CE1 3.64Å; E296-H314 PolarHBondContact OE2-CE1 3.31Å; E296-H314 IonicContact OE2-CG 3.5Å; E296-H314 IonicContact OE2-ND1 3.97Å; E296-H314 PolarHBondContact OE2-ND1 2.89Å; H310-H314 AromaticContact CE1-CD2 3.93Å; H310-H314 AromaticContact CE1-NE2 3.7Å; H310-H314 AromaticContact NE2-NE2 3.91Å; H310-H314 PolarHBondContact O-N 3.43Å; Q311-H314 PolarHBondContact O-N 3.5Å; G312-H314 VanDerWaalsContact C-N 3.3Å; G312-H314 PolarHBondContact O-N 3.06Å
315	F	37.5	Very low	41.6	Very low	178 Å²	178	114.6 Å²	114.6	78%	0.781	63%	0.631	S	S	*	*	H	α-helix	trans	-93.8	-36.2	179.5	-103.3	-94.3	0	0	0	114.6	Q311 G312 E313 G317	Q311-F315 PolarHBondContact O-N 3.13Å; G312-F315 PolarHBondContact O-N 3.41Å; E313-F315 VanDerWaalsContact C-N 3.28Å; E313-F315 PolarHBondContact O-N 3.03Å; F315-G317 VanDerWaalsContact C-N 3.35Å; F315-G317 PolarHBondContact O-N 2.94Å
316	L	41	Very low	40.7	Very low	138 Å²	138	110.7 Å²	110.7	72%	0.723	63%	0.632	S	S	*	*	H	α-helix	trans	-85.1	-3.2	-170.9	-69.3	171	0	0	0	114.3	G312 Q318	G312-L316 WeakPolarHBondContact O-CB 3.44Å; G312-L316 WeakPolarHBondContact O-CG 3.45Å; G312-L316 PolarHBondContact O-N 3.19Å; L316-Q318 PolarHBondContact O-N 2.83Å
317	G	33.2	Very low	39.7	Very low	68 Å²	68	113 Å²	113	70%	0.701	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.2	19.1	179.9	0	0	0	0	0	116.8	F315	F315-G317 VanDerWaalsContact C-N 3.35Å; F315-G317 PolarHBondContact O-N 2.94Å
318	Q	39.4	Very low	38.3	Very low	162 Å²	162	119 Å²	119	76%	0.757	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.4	-19.7	-179.3	-66.4	-165.1	8.1	0	0	116.5	L316	L316-Q318 PolarHBondContact O-N 2.83Å
319	D	36.1	Very low	37.2	Very low	143 Å²	143	119.5 Å²	119.5	77%	0.765	69%	0.692	S	S	*	*			trans	-130.1	96.5	-175.7	-76.8	-60.6	0	0	0	113.3
320	K	30.5	Very low	36	Very low	212 Å²	212	116.4 Å²	116.4	92%	0.922	70%	0.698	S	S	*	*			trans	-175.9	98.3	149.4	-106.5	159.4	-174.1	172.1	0	112.5
321	E	33.1	Very low	34.5	Very low	178 Å²	178	122.1 Å²	122.1	83%	0.832	73%	0.729	S	S	*	*			trans	-123.7	135.4	153.8	-78.6	-160.4	161	0	0	110.1
322	T	31.8	Very low	33.6	Very low	149 Å²	149	126 Å²	126	91%	0.914	75%	0.747	S	S	*	*			trans	65.5	147.1	169.4	67.8	0	0	0	0	118.9
323	G	28.8	Very low	32.9	Very low	81 Å²	81	132.5 Å²	132.5	84%	0.835	77%	0.772	S	S	*	*			trans	139.5	96.5	176.1	0	0	0	0	0	113.5
324	G	28.9	Very low	31.7	Very low	74 Å²	74	132.2 Å²	132.2	76%	0.763	77%	0.772	S	S	*	*			trans	-86.9	170.1	171.9	0	0	0	0	0	113.2
325	P	39.8	Very low	30.7	Very low	143 Å²	143	137.9 Å²	137.9	93%	0.929	79%	0.789	S	S	*	*			trans	-87.9	147.4	-171.2	34.3	-35.4	0	0	0	114.4
326	G	26	Very low	30	Very low	72 Å²	72	132.5 Å²	132.5	74%	0.742	78%	0.784	S	S	*	*			trans	175.9	103.9	168.6	0	0	0	0	0	117.5
327	V	27.3	Very low	29.4	Very low	136 Å²	136	130.7 Å²	130.7	82%	0.824	78%	0.783	S	S	*	*			trans	56.7	99.6	142.6	-169.2	0	0	0	0	121.1
328	M	24	Very low	29	Very low	163 Å²	163	135.4 Å²	135.4	80%	0.803	79%	0.787	S	S	*	*			trans	53.8	132.6	130.5	-64.4	-175.5	64.2	0	0	125.2
329	S	26.9	Very low	28.3	Very low	114 Å²	114	136.2 Å²	136.2	80%	0.797	79%	0.791	S	S	*	*			trans	72.6	133.3	138	-62.7	0	0	0	0	122
330	G	25.9	Very low	27.8	Very low	77 Å²	77	133.5 Å²	133.5	79%	0.794	79%	0.788	S	S	*	*			trans	159.1	118.9	159.5	0	0	0	0	0	115.3
331	L	24.6	Very low	27.7	Very low	146 Å²	146	130.2 Å²	130.2	76%	0.764	78%	0.78	S	S	*	*			trans	-65.5	166.4	-179.3	-69.2	109.5	0	0	0	116.5
332	E	27.4	Very low	27.5	Very low	170 Å²	170	128.2 Å²	128.2	79%	0.794	77%	0.774	S	S	*	*			trans	61	163.4	140.6	-76	159.4	-167.9	0	0	119.8
333	E	28.8	Very low	27.3	Very low	158 Å²	158	129.2 Å²	129.2	74%	0.738	77%	0.766	S	S	*	*			cis	-156.3	156.9	-43.6	-144.9	-161.2	-156.2	0	0	108.8
334	M	25.7	Very low	28	Very low	125 Å²	125	130.9 Å²	130.9	62%	0.616	77%	0.765	S	S	*	*			trans	21.1	138	152	-76.9	-75.1	-81.1	0	0	124
335	R	27.2	Very low	28.3	Very low	208 Å²	208	136.4 Å²	136.4	79%	0.785	77%	0.771	S	S	*	*			trans	74.6	152.2	161.4	-71	165.6	-81.8	-120.9	-6.9	117.2
336	G	24.6	Very low	28	Very low	65 Å²	65	133.3 Å²	133.3	67%	0.67	75%	0.747	S	S	*	*			cis	154.9	160.4	-7.4	0	0	0	0	0	113.2
337	S	26.9	Very low	28.7	Very low	100 Å²	100	138.3 Å²	138.3	70%	0.699	76%	0.755	S	S	*	*			trans	66.2	132.1	173.6	-68.6	0	0	0	0	115.6
338	E	24.6	Very low	29.3	Very low	168 Å²	168	143 Å²	143	79%	0.785	76%	0.758	S	S	*	*				68.3	135.8	70.7	-59.1	158.2	135.2	0	0	112
339	E	26.2	Very low	30	Very low	178 Å²	178	138.2 Å²	138.2	83%	0.832	74%	0.741	S	S	*	*			cis	-159.6	170.5	3	-134.3	-168	159	0	0	112.3
340	A	25.3	Very low	30.5	Very low	86 Å²	86	141.7 Å²	141.7	71%	0.711	74%	0.736	S	S	*	*			trans	63.1	174.8	160.1	0	0	0	0	0	117.2
341	L	27.3	Very low	30.9	Very low	143 Å²	143	141.7 Å²	141.7	75%	0.749	73%	0.729	S	S	*	*			cis	-150.3	124	-2.3	-174.5	61	0	0	0	111.4
342	L	30.4	Very low	31.2	Very low	137 Å²	137	138 Å²	138	72%	0.717	72%	0.72	S	S	*	*			trans	61.8	174.2	167.2	-63.2	167.9	0	0	0	115
343	K	27.6	Very low	31.5	Very low	169 Å²	169	137.1 Å²	137.1	74%	0.735	72%	0.716	S	S	*	*			cis	-149.1	118.3	5.6	-141	149.4	-173.3	175.7	0	111.7	Q345	K343-Q345 PolarHBondContact O-N 3.06Å; K343-Q345 VanDerWaalsContact O-N 3.12Å
344	S	43.4	Very low	31.9	Very low	116 Å²	116	137.7 Å²	137.7	81%	0.811	72%	0.72	S	S	*	*			trans	34.7	54.5	142.1	67.7	0	0	0	0	122.5
345	Q	35.4	Very low	32.4	Very low	191 Å²	191	140.3 Å²	140.3	89%	0.893	73%	0.728	S	S	*	*			trans	-153.1	37.2	161.2	-140.6	175.7	6.5	0	0	119.1	K343	K343-Q345 PolarHBondContact O-N 3.06Å; K343-Q345 VanDerWaalsContact O-N 3.12Å
346	D	32.9	Very low	32.7	Very low	78 Å²	78	134.5 Å²	134.5	42%	0.417	72%	0.724	S	S	.	*			trans	-141.9	36.1	175.3	-159.1	42.4	0	0	0	118.5	R348 S349	D346-R348 VanDerWaalsContact C-N 3.31Å; D346-R348 PolarHBondContact O-N 3.2Å; D346-S349 WeakPolarHBondContact OD1-CB 3.44Å; D346-S349 PolarHBondContact OD1-OG 3.41Å
347	L	39.5	Very low	33.7	Very low	177 Å²	177	138.4 Å²	138.4	93%	0.927	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.3	27.9	174.7	-72.6	175.4	0	0	0	114.6
348	R	40	Very low	33.8	Very low	234 Å²	234	137.5 Å²	137.5	88%	0.883	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.4	-24	166.2	-67.2	-171.7	-168.8	174.1	6.7	114.5	D346	D346-R348 VanDerWaalsContact C-N 3.31Å; D346-R348 PolarHBondContact O-N 3.2Å
349	S	38.8	Very low	34.4	Very low	63 Å²	63	136.1 Å²	136.1	44%	0.441	73%	0.733	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.9	-41.1	-179.3	-38.9	0	0	0	0	112.7	D346 A351 A352	D346-S349 WeakPolarHBondContact OD1-CB 3.44Å; D346-S349 PolarHBondContact OD1-OG 3.41Å; S349-A351 PolarHBondContact O-N 3.28Å; S349-A352 WeakPolarHBondContact O-CB 3.4Å; S349-A352 PolarHBondContact O-N 3.41Å
350	R	38.6	Very low	34.9	Very low	187 Å²	187	131 Å²	131	71%	0.706	72%	0.721	S	S	*	*	H	α-helix	trans	-61.4	-9.4	178.6	-80.6	-176.4	162.4	-175.3	-4.5	115.9	M354	R350-M354 WeakPolarHBondContact O-CB 3.36Å; R350-M354 WeakPolarHBondContact O-CG 3.23Å
351	A	32.8	Very low	35.7	Very low	77 Å²	77	135.9 Å²	135.9	64%	0.636	73%	0.726	S	S	*	*	H	α-helix	trans	-84.2	-16.4	171.3	0	0	0	0	0	113.9	S349	S349-A351 PolarHBondContact O-N 3.28Å
352	A	32.3	Very low	36.7	Very low	69 Å²	69	134.8 Å²	134.8	57%	0.57	72%	0.717	S	S	*	*	H	α-helix	trans	-86.5	-48.2	177.7	0	0	0	0	0	111.7	S349 K355	S349-A352 WeakPolarHBondContact O-CB 3.4Å; S349-A352 PolarHBondContact O-N 3.41Å; A352-K355 PolarHBondContact O-N 3.08Å
353	E	33.3	Very low	38	Very low	151 Å²	151	130.8 Å²	130.8	71%	0.706	70%	0.696	S	S	*	*	H	α-helix	trans	-75	-27.9	-174.6	-61.6	-173.5	134	0	0	113.4	K355 A356	E353-K355 PolarHBondContact O-N 3.33Å; E353-A356 PolarHBondContact O-N 3.05Å
354	M	37	Very low	39.4	Very low	169 Å²	169	129.8 Å²	129.8	83%	0.833	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.4	9.8	170.6	-81.8	-86.7	-82.7	0	0	114.4	R350	R350-M354 WeakPolarHBondContact O-CB 3.36Å; R350-M354 WeakPolarHBondContact O-CG 3.23Å
355	K	36.1	Very low	40.5	Very low	181 Å²	181	124.2 Å²	124.2	79%	0.787	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.6	-10.4	165.9	-81.8	175	174.3	168.4	0	114.7	A352 E353	A352-K355 PolarHBondContact O-N 3.08Å; E353-K355 PolarHBondContact O-N 3.33Å
356	A	33.7	Very low	41.9	Very low	85 Å²	85	122.2 Å²	122.2	70%	0.702	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	-32.3	-175.5	0	0	0	0	0	114	E353	E353-A356 PolarHBondContact O-N 3.05Å
357	L	44.7	Very low	43.3	Very low	148 Å²	148	124.1 Å²	124.1	78%	0.775	65%	0.649	S	S	*	*			trans	-115.3	67.3	-177.5	-71.6	175.3	0	0	0	112.7	L359	L357-L359 PolarHBondContact O-N 3.22Å
358	G	29.4	Very low	44.5	Very low	80 Å²	80	118.1 Å²	118.1	83%	0.825	62%	0.621	S	S	*	*			trans	-73.2	43.6	172.9	0	0	0	0	0	114.6	A360	G358-A360 PolarHBondContact O-N 3.48Å
359	L	36.5	Very low	45.3	Very low	140 Å²	140	111.6 Å²	111.6	73%	0.733	60%	0.604	S	S	*	*			trans	-53.3	137.4	173.5	-108.7	88.9	0	0	0	109.7	L357 K361	L357-L359 PolarHBondContact O-N 3.22Å; L359-K361 PolarHBondContact O-N 3.37Å
360	A	37.1	Very low	46.3	Very low	71 Å²	71	112.8 Å²	112.8	59%	0.587	60%	0.599	S	S	*	*			trans	-71.5	83	170.3	0	0	0	0	0	109	G358 H362	G358-A360 PolarHBondContact O-N 3.48Å; A360-H362 PolarHBondContact O-CD2 3.43Å; A360-H362 PolarHBondContact O-N 2.96Å
361	K	42.4	Very low	47.5	Very low	187 Å²	187	106.4 Å²	106.4	81%	0.813	59%	0.586	S	S	*	*			trans	-53.6	109.1	170.3	-77.9	-167.1	174.3	-174.1	0	108.4	L359 L363	L359-K361 PolarHBondContact O-N 3.37Å; K361-L363 PolarHBondContact O-N 3.24Å
362	H	47.8	Very low	49.2	Very low	120 Å²	120	104.9 Å²	104.9	56%	0.556	57%	0.565	S	S	*	*			trans	-56	122.5	173.4	-83.5	-131.9	0	0	0	107.6	A360 R364 A371	A360-H362 PolarHBondContact O-CD2 3.43Å; A360-H362 PolarHBondContact O-N 2.96Å; H362-R364 HydrophobicContact CB-CG 4.2Å; H362-R364 PolarHBondContact O-N 3.27Å; H362-A371 HydrophobicContact CB-CB 3.94Å; H362-A371 WeakPolarHBondContact ND1-CB 3.14Å
363	L	57.6	Low	50.3	Low	54 Å²	54	107.5 Å²	107.5	28%	0.283	57%	0.574	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-78.3	78.1	-177.3	-67.4	161.2	0	0	0	107.8	K361 F372 I375 L378	K361-L363 PolarHBondContact O-N 3.24Å; L363-F372 HydrophobicContact CB-CB 4.49Å; L363-F372 WeakPolarHBondContact CB-O 3.37Å; L363-F372 PolarHBondContact N-O 3.21Å; L363-F372 WeakPolarHBondContact O-CB 3.32Å; L363-F372 WeakPolarHBondContact O-CD2 3.46Å; L363-F372 PolarHBondContact O-N 3.44Å; L363-I375 HydrophobicContact CD1-CB 4.36Å; L363-I375 HydrophobicContact CD1-CG1 3.53Å; L363-I375 HydrophobicContact CD2-CG1 4.03Å; L363-I375 HydrophobicContact CG-CG1 4.45Å; L363-L378 HydrophobicContact CB-CB 4.37Å; L363-L378 HydrophobicContact CB-CD2 3.93Å
364	R	57.4	Low	51.9	Low	147 Å²	147	102.7 Å²	102.7	56%	0.555	56%	0.557	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-74.3	150	-179.4	-69.1	-169.5	-86.5	167.2	-14.8	110.8	H362 D369 R370 A371	H362-R364 HydrophobicContact CB-CG 4.2Å; H362-R364 PolarHBondContact O-N 3.27Å; R364-D369 WeakPolarHBondContact CD-O 3.29Å; R364-D369 VanDerWaalsContact CD-OD1 3.31Å; R364-D369 WeakPolarHBondContact CD-OD1 3.41Å; R364-D369 WeakPolarHBondContact CG-O 3.36Å; R364-D369 IonicContact CZ-OD1 3.87Å; R364-D369 IonicContact NE-OD1 2.63Å; R364-D369 IonicContact NH1-OD1 3.87Å; R364-D369 PolarHBondContact NH1-OD1 3.11Å; R364-R370 WeakPolarHBondContact CA-O 3.37Å; R364-A371 HydrophobicContact CG-CB 4.04Å
365	C	67.8	Low	53.2	Low	0 Å²	0	100 Å²	100	0%	0	55%	0.545	C	S	.	.			trans	-91.4	116.7	170.4	-169.2	0	0	0	0	109.2	L367 C368 D369 R370 F372 L378 H381	C365-L367 PolarHBondContact O-N 2.88Å; C365-C368 PolarHBondContact O-N 2.87Å; C365-C368 VanDerWaalsContact O-N 3.08Å; C365-D369 WeakPolarHBondContact O-CA 3.2Å; C365-D369 PolarHBondContact O-N 3.3Å; C365-R370 PolarHBondContact N-O 3.3Å; C365-R370 VanDerWaalsContact N-O 3.07Å; C365-F372 HydrophobicContact CB-CE2 4.31Å; C365-L378 HydrophobicContact CB-CD1 3.73Å; C365-H381 VanDerWaalsContact SG-CD2 3.58Å
366	E	63.6	Low	54.4	Low	149 Å²	149	97.5 Å²	97.5	70%	0.696	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-5.1	-178.5	-57.9	101.9	148.1	0	0	114.2	K382	E366-K382 IonicContact OE1-NZ 3.49Å; E366-K382 WeakPolarHBondContact OE2-CE 3.5Å; E366-K382 IonicContact OE2-NZ 3.79Å; E366-K382 PolarHBondContact OE2-NZ 3.44Å
367	L	63	Low	55.6	Low	118 Å²	118	101.1 Å²	101.1	62%	0.618	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	-11.7	178.2	-57.1	176.8	0	0	0	114.5	C365 H385	C365-L367 PolarHBondContact O-N 2.88Å; L367-H385 HydrophobicContact CD1-CB 3.55Å
368	C	65.5	Low	56.9	Low	50 Å²	50	95 Å²	95	34%	0.338	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-160	20.3	176.8	67.6	0	0	0	0	114.8	C365 R370 H381 H385	C365-C368 PolarHBondContact O-N 2.87Å; C365-C368 VanDerWaalsContact O-N 3.08Å; C368-R370 PolarHBondContact O-N 2.92Å; C368-H381 PolarHBondContact SG-NE2 3.48Å; C368-H385 PolarHBondContact SG-NE2 2.96Å
369	D	55.2	Low	58.6	Low	98 Å²	98	93.1 Å²	93.1	52%	0.524	48%	0.481	S	S	.	.			trans	50.4	-4.3	-177.7	-102.8	-69.7	0	0	0	118.8	R364 C365 A371	R364-D369 WeakPolarHBondContact CD-O 3.29Å; R364-D369 VanDerWaalsContact CD-OD1 3.31Å; R364-D369 WeakPolarHBondContact CD-OD1 3.41Å; R364-D369 WeakPolarHBondContact CG-O 3.36Å; R364-D369 IonicContact CZ-OD1 3.87Å; R364-D369 IonicContact NE-OD1 2.63Å; R364-D369 IonicContact NH1-OD1 3.87Å; R364-D369 PolarHBondContact NH1-OD1 3.11Å; C365-D369 WeakPolarHBondContact O-CA 3.2Å; C365-D369 PolarHBondContact O-N 3.3Å; D369-A371 PolarHBondContact O-N 3.37Å
370	R	60.1	Low	59.8	Low	87 Å²	87	88.5 Å²	88.5	33%	0.328	46%	0.462	S	S	.	.			trans	-53.5	122.9	-179.6	-79.6	-177.4	159.9	118.4	1.6	112.1	R364 C365 C368 F372 E391 C395 G396	R364-R370 WeakPolarHBondContact CA-O 3.37Å; C365-R370 PolarHBondContact N-O 3.3Å; C365-R370 VanDerWaalsContact N-O 3.07Å; C368-R370 PolarHBondContact O-N 2.92Å; R370-F372 HydrophobicContact CB-CE2 3.71Å; R370-F372 HydrophobicContact CB-CZ 4.01Å; R370-F372 WeakPolarHBondContact O-CD2 3.31Å; R370-F372 WeakPolarHBondContact O-CE2 3.36Å; R370-E391 IonicContact CZ-OE1 3.75Å; R370-E391 IonicContact NH1-OE1 2.87Å; R370-E391 PolarHBondContact NH1-OE1 3.33Å; R370-E391 IonicContact NH2-OE1 2.65Å; R370-C395 PolarHBondContact NH2-O 3.21Å; R370-G396 PolarHBondContact NH1-O 3.08Å; R370-G396 PolarHBondContact NH2-O 3.36Å; R370-G396 VanDerWaalsContact NH2-O 3.12Å
371	A	64.2	Low	61.4	Low	53 Å²	53	86.3 Å²	86.3	44%	0.438	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	128.4	-179.9	0	0	0	0	0	112.7	H362 R364 D369	H362-A371 HydrophobicContact CB-CB 3.94Å; H362-A371 WeakPolarHBondContact ND1-CB 3.14Å; R364-A371 HydrophobicContact CG-CB 4.04Å; D369-A371 PolarHBondContact O-N 3.37Å
372	F	67.5	Low	62.4	Low	45 Å²	45	80.7 Å²	80.7	20%	0.197	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	146.1	177.9	-64.9	-87.3	0	0	0	112.9	L363 C365 R370 S374 R377 L378 H381	L363-F372 HydrophobicContact CB-CB 4.49Å; L363-F372 WeakPolarHBondContact CB-O 3.37Å; L363-F372 PolarHBondContact N-O 3.21Å; L363-F372 WeakPolarHBondContact O-CB 3.32Å; L363-F372 WeakPolarHBondContact O-CD2 3.46Å; L363-F372 PolarHBondContact O-N 3.44Å; C365-F372 HydrophobicContact CB-CE2 4.31Å; R370-F372 HydrophobicContact CB-CE2 3.71Å; R370-F372 HydrophobicContact CB-CZ 4.01Å; R370-F372 WeakPolarHBondContact O-CD2 3.31Å; R370-F372 WeakPolarHBondContact O-CE2 3.36Å; F372-S374 VanDerWaalsContact C-N 3.31Å; F372-S374 PolarHBondContact O-N 2.83Å; F372-R377 HydrophobicContact CB-CB 4.34Å; F372-R377 HydrophobicContact CD1-CB 4.02Å; F372-L378 HydrophobicContact CB-CB 4.14Å; F372-L378 HydrophobicContact CD2-CB 4.29Å; F372-L378 HydrophobicContact CD2-CD1 3.85Å; F372-L378 HydrophobicContact CE2-CD1 4.31Å; F372-L378 HydrophobicContact CG-CB 4.35Å; F372-H381 HydrophobicContact CE1-CB 3.96Å; F372-H381 HydrophobicContact CE2-CB 4.05Å; F372-H381 AromaticContact CE2-CD2 3.22Å; F372-H381 WeakPolarHBondContact CE2-CD2 3.29Å; F372-H381 AromaticContact CE2-CG 3.65Å; F372-H381 AromaticContact CE2-NE2 3.8Å; F372-H381 HydrophobicContact CZ-CB 3.61Å; F372-H381 AromaticContact CZ-CD2 3.33Å; F372-H381 WeakPolarHBondContact CZ-CD2 3.35Å; F372-H381 AromaticContact CZ-CG 3.26Å; F372-H381 AromaticContact CZ-ND1 3.74Å; F372-H381 AromaticContact CZ-NE2 3.82Å
373	T	57.2	Low	63	Low	125 Å²	125	81 Å²	81	77%	0.767	41%	0.412	S	S	*	.	S	Bend	trans	-86.2	4.8	-179.8	50.3	0	0	0	0	114.4
374	S	65.3	Low	62.8	Low	49 Å²	49	79.7 Å²	79.7	34%	0.343	41%	0.406	S	S	.	.	S	Bend	trans	-161.1	141	-179.8	179.8	0	0	0	0	111.5	F372 N376 R377 L378	F372-S374 VanDerWaalsContact C-N 3.31Å; F372-S374 PolarHBondContact O-N 2.83Å; S374-N376 PolarHBondContact O-N 3.03Å; S374-N376 PolarHBondContact OG-N 2.95Å; S374-R377 WeakPolarHBondContact O-CB 3.42Å; S374-R377 PolarHBondContact O-N 2.82Å; S374-L378 PolarHBondContact O-N 2.78Å
375	I	65.8	Low	63	Low	112 Å²	112	75.7 Å²	75.7	57%	0.574	39%	0.393	S	S	*	.	H	α-helix	trans	-58.4	-38.3	176.9	-57.7	175.9	0	0	0	110.3	L363 R377 L378 A379	L363-I375 HydrophobicContact CD1-CB 4.36Å; L363-I375 HydrophobicContact CD1-CG1 3.53Å; L363-I375 HydrophobicContact CD2-CG1 4.03Å; L363-I375 HydrophobicContact CG-CG1 4.45Å; I375-R377 PolarHBondContact O-N 2.89Å; I375-L378 PolarHBondContact O-N 3.39Å; I375-A379 WeakPolarHBondContact O-CB 3.33Å; I375-A379 PolarHBondContact O-N 2.91Å
376	N	59.8	Low	62.5	Low	130 Å²	130	82.3 Å²	82.3	70%	0.695	42%	0.424	S	S	*	.	H	α-helix	trans	-67	-25.9	178.8	-64.2	5.4	0	0	0	112.5	S374 A380	S374-N376 PolarHBondContact O-N 3.03Å; S374-N376 PolarHBondContact OG-N 2.95Å; N376-A380 VanDerWaalsContact O-CB 3.25Å; N376-A380 WeakPolarHBondContact O-CB 3.34Å; N376-A380 PolarHBondContact O-N 3.35Å
377	R	60	Low	62.2	Low	160 Å²	160	80.7 Å²	80.7	60%	0.604	42%	0.417	S	S	*	.	H	α-helix	trans	-80.4	-42.7	172	-79.7	-176.5	168.8	179.2	-7.2	111.8	F372 S374 I375 A379 A380 H381	F372-R377 HydrophobicContact CB-CB 4.34Å; F372-R377 HydrophobicContact CD1-CB 4.02Å; S374-R377 WeakPolarHBondContact O-CB 3.42Å; S374-R377 PolarHBondContact O-N 2.82Å; I375-R377 PolarHBondContact O-N 2.89Å; R377-A379 PolarHBondContact O-N 3.47Å; R377-A380 PolarHBondContact O-N 3.4Å; R377-H381 WeakPolarHBondContact O-CB 3.4Å; R377-H381 PolarHBondContact O-N 2.92Å
378	L	71.3	Confident	61.6	Low	20 Å²	20	76.8 Å²	76.8	11%	0.105	41%	0.405	C	S	.	.	H	α-helix	trans	-58.8	-47.7	173.3	175.4	59.8	0	0	0	110.9	L363 C365 F372 S374 I375 A380 H381 K382	L363-L378 HydrophobicContact CB-CB 4.37Å; L363-L378 HydrophobicContact CB-CD2 3.93Å; C365-L378 HydrophobicContact CB-CD1 3.73Å; F372-L378 HydrophobicContact CB-CB 4.14Å; F372-L378 HydrophobicContact CD2-CB 4.29Å; F372-L378 HydrophobicContact CD2-CD1 3.85Å; F372-L378 HydrophobicContact CE2-CD1 4.31Å; F372-L378 HydrophobicContact CG-CB 4.35Å; S374-L378 PolarHBondContact O-N 2.78Å; I375-L378 PolarHBondContact O-N 3.39Å; L378-A380 VanDerWaalsContact C-N 3.32Å; L378-A380 PolarHBondContact O-N 3.26Å; L378-H381 CarbonylContact O-C 3.56Å; L378-H381 PolarHBondContact O-N 2.85Å; L378-K382 HydrophobicContact CD1-CG 4.2Å; L378-K382 PolarHBondContact O-N 2.91Å
379	A	65.9	Low	61.4	Low	41 Å²	41	79.2 Å²	79.2	34%	0.339	42%	0.418	S	S	.	.	H	α-helix	trans	-64.1	-34.8	176.8	0	0	0	0	0	112.7	I375 R377 H381 R383	I375-A379 WeakPolarHBondContact O-CB 3.33Å; I375-A379 PolarHBondContact O-N 2.91Å; R377-A379 PolarHBondContact O-N 3.47Å; A379-H381 VanDerWaalsContact C-N 3.3Å; A379-R383 WeakPolarHBondContact O-CG 3.37Å; A379-R383 PolarHBondContact O-N 2.63Å; A379-R383 PolarHBondContact O-NH1 2.92Å; A379-R383 VanDerWaalsContact O-NH1 3.13Å
380	A	61.6	Low	61.6	Low	42 Å²	42	77.7 Å²	77.7	35%	0.347	41%	0.408	S	S	.	.	H	α-helix	trans	-69.1	-27.9	172.6	0	0	0	0	0	113.1	N376 R377 L378 V384	N376-A380 VanDerWaalsContact O-CB 3.25Å; N376-A380 WeakPolarHBondContact O-CB 3.34Å; N376-A380 PolarHBondContact O-N 3.35Å; R377-A380 PolarHBondContact O-N 3.4Å; L378-A380 VanDerWaalsContact C-N 3.32Å; L378-A380 PolarHBondContact O-N 3.26Å; A380-V384 WeakPolarHBondContact O-CG2 3.29Å
381	H	69.4	Low	61.5	Low	25 Å²	25	78 Å²	78	12%	0.116	41%	0.413	C	S	.	.	H	α-helix	trans	-85.1	-34.5	176.8	170.7	70.6	0	0	0	113.3	C365 C368 F372 R377 L378 A379 R383 V384 H385	C365-H381 VanDerWaalsContact SG-CD2 3.58Å; C368-H381 PolarHBondContact SG-NE2 3.48Å; F372-H381 HydrophobicContact CE1-CB 3.96Å; F372-H381 HydrophobicContact CE2-CB 4.05Å; F372-H381 AromaticContact CE2-CD2 3.22Å; F372-H381 WeakPolarHBondContact CE2-CD2 3.29Å; F372-H381 AromaticContact CE2-CG 3.65Å; F372-H381 AromaticContact CE2-NE2 3.8Å; F372-H381 HydrophobicContact CZ-CB 3.61Å; F372-H381 AromaticContact CZ-CD2 3.33Å; F372-H381 WeakPolarHBondContact CZ-CD2 3.35Å; F372-H381 AromaticContact CZ-CG 3.26Å; F372-H381 AromaticContact CZ-ND1 3.74Å; F372-H381 AromaticContact CZ-NE2 3.82Å; R377-H381 WeakPolarHBondContact O-CB 3.4Å; R377-H381 PolarHBondContact O-N 2.92Å; L378-H381 CarbonylContact O-C 3.56Å; L378-H381 PolarHBondContact O-N 2.85Å; A379-H381 VanDerWaalsContact C-N 3.3Å; H381-R383 VanDerWaalsContact C-N 3.27Å; H381-R383 PolarHBondContact O-N 2.87Å; H381-V384 WeakPolarHBondContact O-CA 3.44Å; H381-V384 WeakPolarHBondContact O-CB 3.44Å; H381-V384 PolarHBondContact O-N 2.81Å; H381-H385 AromaticContact CD2-NE2 3.87Å; H381-H385 AromaticContact CE1-NE2 3.35Å; H381-H385 PolarHBondContact CE1-NE2 3.24Å; H381-H385 VanDerWaalsContact CE1-NE2 3.35Å; H381-H385 AromaticContact NE2-CD2 3.77Å; H381-H385 AromaticContact NE2-NE2 3.05Å; H381-H385 PolarHBondContact NE2-NE2 3.29Å; H381-H385 PolarHBondContact O-N 3.33Å
382	K	64.3	Low	61.3	Low	69 Å²	69	75.5 Å²	75.5	30%	0.3	39%	0.392	S	S	.	.	H	α-helix	trans	-57.9	-40.9	170.8	-75.6	-164.1	171.6	-164.5	0	111.3	E366 L378 V384 H385 E386	E366-K382 IonicContact OE1-NZ 3.49Å; E366-K382 WeakPolarHBondContact OE2-CE 3.5Å; E366-K382 IonicContact OE2-NZ 3.79Å; E366-K382 PolarHBondContact OE2-NZ 3.44Å; L378-K382 HydrophobicContact CD1-CG 4.2Å; L378-K382 PolarHBondContact O-N 2.91Å; K382-V384 PolarHBondContact O-N 3.42Å; K382-H385 PolarHBondContact O-N 3.44Å; K382-E386 PolarHBondContact O-N 3.23Å
383	R	60.7	Low	60.7	Low	127 Å²	127	78.6 Å²	78.6	48%	0.479	42%	0.417	S	S	.	.	H	α-helix	trans	-64	4.9	168.6	-65.5	-165.2	-55.4	-85.2	3.6	116.2	A379 H381 E386	A379-R383 WeakPolarHBondContact O-CG 3.37Å; A379-R383 PolarHBondContact O-N 2.63Å; A379-R383 PolarHBondContact O-NH1 2.92Å; A379-R383 VanDerWaalsContact O-NH1 3.13Å; H381-R383 VanDerWaalsContact C-N 3.27Å; H381-R383 PolarHBondContact O-N 2.87Å; R383-E386 WeakPolarHBondContact CA-OE2 3.44Å; R383-E386 WeakPolarHBondContact CG-OE2 3.33Å
384	V	53.9	Low	60.5	Low	27 Å²	27	78.3 Å²	78.3	16%	0.164	41%	0.407	C	S	.	.	H	α-helix	trans	-108	-21.7	171	-170.9	0	0	0	0	111.3	A380 H381 K382 E386 G388 I398	A380-V384 WeakPolarHBondContact O-CG2 3.29Å; H381-V384 WeakPolarHBondContact O-CA 3.44Å; H381-V384 WeakPolarHBondContact O-CB 3.44Å; H381-V384 PolarHBondContact O-N 2.81Å; K382-V384 PolarHBondContact O-N 3.42Å; V384-E386 VanDerWaalsContact C-N 3.35Å; V384-G388 WeakPolarHBondContact O-CA 3.3Å; V384-G388 PolarHBondContact O-N 3.37Å; V384-I398 HydrophobicContact CG1-CB 3.56Å; V384-I398 HydrophobicContact CG1-CD1 4.41Å; V384-I398 HydrophobicContact CG1-CG2 3.5Å; V384-I398 VanDerWaalsContact CG1-CG2 3.5Å
385	H	60.8	Low	60	Low	63 Å²	63	78 Å²	78	29%	0.292	40%	0.404	S	S	.	.	H	α-helix	trans	-74.2	-30.2	163.6	-65.7	-79.1	0	0	0	111.5	L367 C368 H381 K382 E387	L367-H385 HydrophobicContact CD1-CB 3.55Å; C368-H385 PolarHBondContact SG-NE2 2.96Å; H381-H385 AromaticContact CD2-NE2 3.87Å; H381-H385 AromaticContact CE1-NE2 3.35Å; H381-H385 PolarHBondContact CE1-NE2 3.24Å; H381-H385 VanDerWaalsContact CE1-NE2 3.35Å; H381-H385 AromaticContact NE2-CD2 3.77Å; H381-H385 AromaticContact NE2-NE2 3.05Å; H381-H385 PolarHBondContact NE2-NE2 3.29Å; H381-H385 PolarHBondContact O-N 3.33Å; K382-H385 PolarHBondContact O-N 3.44Å; H385-E387 VanDerWaalsContact C-N 3.34Å; H385-E387 PolarHBondContact O-N 3.33Å
386	E	56.8	Low	59.3	Low	138 Å²	138	73.1 Å²	73.1	65%	0.645	38%	0.382	S	S	*	.	S	Bend	trans	-74.6	-16	177.6	-66	162	-177.8	0	0	114.1	K382 R383 V384	K382-E386 PolarHBondContact O-N 3.23Å; R383-E386 WeakPolarHBondContact CA-OE2 3.44Å; R383-E386 WeakPolarHBondContact CG-OE2 3.33Å; V384-E386 VanDerWaalsContact C-N 3.35Å
387	E	57	Low	59	Low	115 Å²	115	71.7 Å²	71.7	54%	0.537	37%	0.369	S	S	.	.	S	Bend	trans	-146.7	21.3	-175.5	-67.1	-176.7	-127.4	0	0	114	H385 K400	H385-E387 VanDerWaalsContact C-N 3.34Å; H385-E387 PolarHBondContact O-N 3.33Å; E387-K400 IonicContact OE1-NZ 3.99Å; E387-K400 PolarHBondContact OE1-NZ 2.9Å; E387-K400 VanDerWaalsContact OE1-NZ 3.15Å; E387-K400 IonicContact OE2-NZ 2.73Å; E387-K400 PolarHBondContact OE2-NZ 2.92Å
388	G	51.8	Low	58.7	Low	36 Å²	36	65.9 Å²	65.9	37%	0.371	35%	0.35	S	S	.	.			trans	-95.4	127.7	-169.9	0	0	0	0	0	114.5	V384	V384-G388 WeakPolarHBondContact O-CA 3.3Å; V384-G388 PolarHBondContact O-N 3.37Å
389	T	60.7	Low	58.3	Low	101 Å²	101	67.1 Å²	67.1	62%	0.62	36%	0.355	S	S	*	.			trans	-126.3	-8.9	176.1	55.7	0	0	0	0	115.4
390	H	59.6	Low	57.7	Low	66 Å²	66	70.4 Å²	70.4	31%	0.306	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	101.7	-174.9	-55.6	-62.9	0	0	0	112.8	I398 F399 A402 L405	H390-I398 CarbonylContact O-C 3.48Å; H390-I398 WeakPolarHBondContact O-CA 3.41Å; H390-F399 PolarHBondContact O-N 3.2Å; H390-A402 PolarHBondContact CD2-N 3.34Å; H390-L405 HydrophobicContact CB-CB 4.31Å; H390-L405 HydrophobicContact CB-CD2 3.81Å
391	E	58.4	Low	57.8	Low	94 Å²	94	75.5 Å²	75.5	44%	0.439	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	146	173.7	-170.6	155.7	-164.4	0	0	112.5	R370 G396 I398 L405	R370-E391 IonicContact CZ-OE1 3.75Å; R370-E391 IonicContact NH1-OE1 2.87Å; R370-E391 PolarHBondContact NH1-OE1 3.33Å; R370-E391 IonicContact NH2-OE1 2.65Å; E391-G396 VanDerWaalsContact OE1-C 3.26Å; E391-G396 WeakPolarHBondContact OE1-CA 3.25Å; E391-I398 HydrophobicContact CB-CG1 3.88Å; E391-I398 HydrophobicContact CG-CG1 3.68Å; E391-L405 WeakPolarHBondContact O-CD2 3.47Å
392	C	59	Low	57.5	Low	0 Å²	0	76.9 Å²	76.9	0%	0	39%	0.391	C	S	.	.			trans	-84.5	116.4	175.5	-169.6	0	0	0	0	111.6	E394 C395 G396 K397 F399 L405	C392-E394 VanDerWaalsContact C-N 3.28Å; C392-E394 PolarHBondContact O-N 3.48Å; C392-E394 VanDerWaalsContact O-N 3.17Å; C392-C395 PolarHBondContact O-N 3.01Å; C392-G396 WeakPolarHBondContact O-CA 3.45Å; C392-G396 PolarHBondContact O-N 2.87Å; C392-K397 WeakPolarHBondContact CB-O 3.24Å; C392-K397 PolarHBondContact N-O 3.29Å; C392-F399 HydrophobicContact CB-CE2 4.34Å; C392-L405 VanDerWaalsContact CA-CD1 3.43Å; C392-L405 HydrophobicContact CB-CD1 3.4Å
393	P	55.7	Low	57.4	Low	111 Å²	111	79.2 Å²	79.2	72%	0.721	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-40.4	-174.9	-27.7	35.5	0	0	0	114.2
394	E	52.7	Low	57.4	Low	118 Å²	118	75.7 Å²	75.7	55%	0.551	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-15.9	-168.4	-66.8	163.3	-118.9	0	0	115.1	C392 H412	C392-E394 VanDerWaalsContact C-N 3.28Å; C392-E394 PolarHBondContact O-N 3.48Å; C392-E394 VanDerWaalsContact O-N 3.17Å; E394-H412 WeakPolarHBondContact OE2-CB 3.39Å; E394-H412 IonicContact OE2-CD2 3.76Å; E394-H412 IonicContact OE2-CG 2.98Å
395	C	54.5	Low	58	Low	42 Å²	42	75.4 Å²	75.4	28%	0.284	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-149.2	7.1	175.9	81.8	0	0	0	0	114.8	R370 C392 K397 H408 H412	R370-C395 PolarHBondContact NH2-O 3.21Å; C392-C395 PolarHBondContact O-N 3.01Å; C395-K397 VanDerWaalsContact C-N 3.31Å; C395-K397 PolarHBondContact O-N 3.38Å; C395-K397 VanDerWaalsContact SG-CG 3.59Å; C395-K397 PolarHBondContact SG-NZ 3.26Å; C395-H408 PolarHBondContact SG-NE2 2.85Å; C395-H412 WeakPolarHBondContact CB-NE2 3.09Å; C395-H412 PolarHBondContact SG-NE2 3.46Å
396	G	51.7	Low	57.9	Low	10 Å²	10	77.9 Å²	77.9	10%	0.103	41%	0.41	C	S	.	.			trans	46.5	42.3	-176.8	0	0	0	0	0	116.4	R370 E391 C392	R370-G396 PolarHBondContact NH1-O 3.08Å; R370-G396 PolarHBondContact NH2-O 3.36Å; R370-G396 VanDerWaalsContact NH2-O 3.12Å; E391-G396 VanDerWaalsContact OE1-C 3.26Å; E391-G396 WeakPolarHBondContact OE1-CA 3.25Å; C392-G396 WeakPolarHBondContact O-CA 3.45Å; C392-G396 PolarHBondContact O-N 2.87Å
397	K	53.8	Low	58	Low	100 Å²	100	75.2 Å²	75.2	44%	0.435	40%	0.404	S	S	.	.			trans	-79.2	126.3	163.2	-70.7	-178.3	-149.4	104.8	0	107.9	C392 C395 F399 H408	C392-K397 WeakPolarHBondContact CB-O 3.24Å; C392-K397 PolarHBondContact N-O 3.29Å; C395-K397 VanDerWaalsContact C-N 3.31Å; C395-K397 PolarHBondContact O-N 3.38Å; C395-K397 VanDerWaalsContact SG-CG 3.59Å; C395-K397 PolarHBondContact SG-NZ 3.26Å; K397-F399 HydrophobicContact CB-CE2 3.54Å; K397-F399 HydrophobicContact CB-CZ 3.82Å; K397-F399 VanDerWaalsContact O-CD2 3.26Å; K397-F399 WeakPolarHBondContact O-CD2 3.46Å; K397-F399 WeakPolarHBondContact O-CE2 3.39Å; K397-H408 PolarHBondContact NZ-CE1 2.83Å; K397-H408 PolarHBondContact NZ-NE2 3.16Å
398	I	54.6	Low	58.3	Low	39 Å²	39	70.8 Å²	70.8	20%	0.2	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	133.8	-179.2	-51.8	170	0	0	0	109.4	V384 H390 E391	V384-I398 HydrophobicContact CG1-CB 3.56Å; V384-I398 HydrophobicContact CG1-CD1 4.41Å; V384-I398 HydrophobicContact CG1-CG2 3.5Å; V384-I398 VanDerWaalsContact CG1-CG2 3.5Å; H390-I398 CarbonylContact O-C 3.48Å; H390-I398 WeakPolarHBondContact O-CA 3.41Å; E391-I398 HydrophobicContact CB-CG1 3.88Å; E391-I398 HydrophobicContact CG-CG1 3.68Å
399	F	60.8	Low	58.8	Low	46 Å²	46	71.7 Å²	71.7	20%	0.202	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	143.5	-175.1	-63.3	-94.5	0	0	0	111.2	H390 C392 K397 K401 L405 H408	H390-F399 PolarHBondContact O-N 3.2Å; C392-F399 HydrophobicContact CB-CE2 4.34Å; K397-F399 HydrophobicContact CB-CE2 3.54Å; K397-F399 HydrophobicContact CB-CZ 3.82Å; K397-F399 VanDerWaalsContact O-CD2 3.26Å; K397-F399 WeakPolarHBondContact O-CD2 3.46Å; K397-F399 WeakPolarHBondContact O-CE2 3.39Å; F399-K401 PolarHBondContact O-N 2.91Å; F399-L405 HydrophobicContact CB-CB 4.15Å; F399-L405 HydrophobicContact CD2-CB 3.9Å; F399-L405 HydrophobicContact CD2-CD1 3.84Å; F399-L405 HydrophobicContact CD2-CG 4.48Å; F399-L405 HydrophobicContact CE2-CD1 4.05Å; F399-L405 HydrophobicContact CG-CB 4.15Å; F399-H408 HydrophobicContact CE1-CB 4.05Å; F399-H408 HydrophobicContact CE2-CB 3.94Å; F399-H408 AromaticContact CE2-CD2 3.37Å; F399-H408 WeakPolarHBondContact CE2-CD2 3.46Å; F399-H408 AromaticContact CE2-CG 3.88Å; F399-H408 HydrophobicContact CZ-CB 3.49Å; F399-H408 VanDerWaalsContact CZ-CB 3.49Å; F399-H408 AromaticContact CZ-CD2 3.29Å; F399-H408 WeakPolarHBondContact CZ-CD2 3.43Å; F399-H408 AromaticContact CZ-CG 3.41Å; F399-H408 VanDerWaalsContact CZ-CG 3.41Å
400	K	55.3	Low	58.7	Low	110 Å²	110	67.6 Å²	67.6	48%	0.478	36%	0.356	S	S	.	.	S	Bend	trans	-76.8	-0	176.9	-62.2	-163.7	172.5	-165.2	0	114.5	E387	E387-K400 IonicContact OE1-NZ 3.99Å; E387-K400 PolarHBondContact OE1-NZ 2.9Å; E387-K400 VanDerWaalsContact OE1-NZ 3.15Å; E387-K400 IonicContact OE2-NZ 2.73Å; E387-K400 PolarHBondContact OE2-NZ 2.92Å
401	K	63.4	Low	58.5	Low	149 Å²	149	67.8 Å²	67.8	65%	0.648	36%	0.362	S	S	*	.	S	Bend	trans	-150.2	133.6	179.8	-66.1	-169.5	177.6	-172	0	110.8	F399 L403 S404 L405	F399-K401 PolarHBondContact O-N 2.91Å; K401-L403 VanDerWaalsContact C-N 3.29Å; K401-L403 PolarHBondContact O-N 3.47Å; K401-S404 WeakPolarHBondContact O-CB 3.36Å; K401-S404 PolarHBondContact O-N 2.99Å; K401-L405 PolarHBondContact O-N 2.78Å
402	A	61.7	Low	58.3	Low	53 Å²	53	67.1 Å²	67.1	44%	0.438	36%	0.359	S	S	.	.	H	α-helix	trans	-55	-41.3	177.3	0	0	0	0	0	112.9	H390 S404 L405 Q406	H390-A402 PolarHBondContact CD2-N 3.34Å; A402-S404 VanDerWaalsContact C-N 3.3Å; A402-S404 PolarHBondContact O-N 3.14Å; A402-L405 WeakPolarHBondContact O-CB 3.48Å; A402-L405 PolarHBondContact O-N 3.5Å; A402-L405 VanDerWaalsContact O-N 3.16Å; A402-Q406 WeakPolarHBondContact O-CB 3.41Å; A402-Q406 PolarHBondContact O-N 3.19Å
403	L	63.1	Low	58.2	Low	119 Å²	119	70.3 Å²	70.3	62%	0.623	38%	0.381	S	S	*	.	H	α-helix	trans	-60.3	-37.9	177.4	-174.8	65.3	0	0	0	112.6	K401 Q406 T407	K401-L403 VanDerWaalsContact C-N 3.29Å; K401-L403 PolarHBondContact O-N 3.47Å; L403-Q406 PolarHBondContact O-N 3.28Å; L403-T407 PolarHBondContact O-N 3.09Å; L403-T407 PolarHBondContact O-OG1 3.23Å
404	S	60	Low	58.1	Low	52 Å²	52	67.8 Å²	67.8	36%	0.364	38%	0.375	S	S	.	.	H	α-helix	trans	-70.4	-36.4	177	-57.8	0	0	0	0	112.1	K401 A402 T407 H408	K401-S404 WeakPolarHBondContact O-CB 3.36Å; K401-S404 PolarHBondContact O-N 2.99Å; A402-S404 VanDerWaalsContact C-N 3.3Å; A402-S404 PolarHBondContact O-N 3.14Å; S404-T407 WeakPolarHBondContact CA-OG1 3.24Å; S404-T407 PolarHBondContact O-OG1 2.94Å; S404-H408 PolarHBondContact O-N 3.08Å; S404-H408 VanDerWaalsContact O-N 3.16Å
405	L	65.9	Low	58	Low	22 Å²	22	66.7 Å²	66.7	12%	0.115	38%	0.376	C	S	.	.	H	α-helix	trans	-62.4	-45.5	168.8	170	60.4	0	0	0	111	H390 E391 C392 F399 K401 A402 T407 H408 I409	H390-L405 HydrophobicContact CB-CB 4.31Å; H390-L405 HydrophobicContact CB-CD2 3.81Å; E391-L405 WeakPolarHBondContact O-CD2 3.47Å; C392-L405 VanDerWaalsContact CA-CD1 3.43Å; C392-L405 HydrophobicContact CB-CD1 3.4Å; F399-L405 HydrophobicContact CB-CB 4.15Å; F399-L405 HydrophobicContact CD2-CB 3.9Å; F399-L405 HydrophobicContact CD2-CD1 3.84Å; F399-L405 HydrophobicContact CD2-CG 4.48Å; F399-L405 HydrophobicContact CE2-CD1 4.05Å; F399-L405 HydrophobicContact CG-CB 4.15Å; K401-L405 PolarHBondContact O-N 2.78Å; A402-L405 WeakPolarHBondContact O-CB 3.48Å; A402-L405 PolarHBondContact O-N 3.5Å; A402-L405 VanDerWaalsContact O-N 3.16Å; L405-T407 VanDerWaalsContact C-N 3.34Å; L405-T407 PolarHBondContact O-N 3.26Å; L405-H408 CarbonylContact O-C 3.58Å; L405-H408 WeakPolarHBondContact O-CA 3.43Å; L405-H408 WeakPolarHBondContact O-CB 3.36Å; L405-H408 PolarHBondContact O-N 3.45Å; L405-I409 HydrophobicContact CD1-CD1 3.83Å; L405-I409 HydrophobicContact CD1-CG1 3.82Å; L405-I409 HydrophobicContact CD2-CD1 4.34Å; L405-I409 HydrophobicContact CG-CD1 3.83Å; L405-I409 HydrophobicContact CG-CG1 4.27Å; L405-I409 PolarHBondContact O-N 3.09Å
406	Q	59.5	Low	57.8	Low	115 Å²	115	66.2 Å²	66.2	54%	0.537	38%	0.376	S	S	.	.	H	α-helix	trans	-61.8	-39.8	-179.3	-165.1	179	16.4	0	0	112.2	A402 L403 H408 G410	A402-Q406 WeakPolarHBondContact O-CB 3.41Å; A402-Q406 PolarHBondContact O-N 3.19Å; L403-Q406 PolarHBondContact O-N 3.28Å; Q406-H408 PolarHBondContact O-N 3.46Å; Q406-G410 PolarHBondContact O-N 3.18Å
407	T	59.7	Low	57.9	Low	82 Å²	82	74.4 Å²	74.4	50%	0.503	40%	0.403	S	S	.	.	H	α-helix	trans	-67	-23.8	170.3	53.1	0	0	0	0	113.5	L403 S404 L405	L403-T407 PolarHBondContact O-N 3.09Å; L403-T407 PolarHBondContact O-OG1 3.23Å; S404-T407 WeakPolarHBondContact CA-OG1 3.24Å; S404-T407 PolarHBondContact O-OG1 2.94Å; L405-T407 VanDerWaalsContact C-N 3.34Å; L405-T407 PolarHBondContact O-N 3.26Å
408	H	63.3	Low	58.2	Low	21 Å²	21	72.5 Å²	72.5	10%	0.097	40%	0.396	C	S	.	.	H	α-helix	trans	-84.7	-39.8	177.4	-179.6	37.8	0	0	0	113.2	C395 K397 F399 S404 L405 Q406 G410 T411 H412	C395-H408 PolarHBondContact SG-NE2 2.85Å; K397-H408 PolarHBondContact NZ-CE1 2.83Å; K397-H408 PolarHBondContact NZ-NE2 3.16Å; F399-H408 HydrophobicContact CE1-CB 4.05Å; F399-H408 HydrophobicContact CE2-CB 3.94Å; F399-H408 AromaticContact CE2-CD2 3.37Å; F399-H408 WeakPolarHBondContact CE2-CD2 3.46Å; F399-H408 AromaticContact CE2-CG 3.88Å; F399-H408 HydrophobicContact CZ-CB 3.49Å; F399-H408 VanDerWaalsContact CZ-CB 3.49Å; F399-H408 AromaticContact CZ-CD2 3.29Å; F399-H408 WeakPolarHBondContact CZ-CD2 3.43Å; F399-H408 AromaticContact CZ-CG 3.41Å; F399-H408 VanDerWaalsContact CZ-CG 3.41Å; S404-H408 PolarHBondContact O-N 3.08Å; S404-H408 VanDerWaalsContact O-N 3.16Å; L405-H408 CarbonylContact O-C 3.58Å; L405-H408 WeakPolarHBondContact O-CA 3.43Å; L405-H408 WeakPolarHBondContact O-CB 3.36Å; L405-H408 PolarHBondContact O-N 3.45Å; Q406-H408 PolarHBondContact O-N 3.46Å; H408-G410 PolarHBondContact O-N 3.14Å; H408-T411 PolarHBondContact CE1-OG1 3.13Å; H408-T411 VanDerWaalsContact CE1-OG1 3.29Å; H408-T411 PolarHBondContact ND1-OG1 3.49Å; H408-T411 WeakPolarHBondContact O-CA 3.43Å; H408-T411 WeakPolarHBondContact O-CB 3.35Å; H408-T411 PolarHBondContact O-N 3.13Å; H408-T411 PolarHBondContact O-OG1 3.43Å; H408-H412 AromaticContact CE1-NE2 3.89Å; H408-H412 AromaticContact NE2-NE2 3.96Å
409	I	62.3	Low	57.9	Low	56 Å²	56	75.6 Å²	75.6	29%	0.287	41%	0.412	S	S	.	.	H	α-helix	trans	-56.8	-37.8	172.4	-66.1	168	0	0	0	109.7	L405 T411 H412 S413	L405-I409 HydrophobicContact CD1-CD1 3.83Å; L405-I409 HydrophobicContact CD1-CG1 3.82Å; L405-I409 HydrophobicContact CD2-CD1 4.34Å; L405-I409 HydrophobicContact CG-CD1 3.83Å; L405-I409 HydrophobicContact CG-CG1 4.27Å; L405-I409 PolarHBondContact O-N 3.09Å; I409-T411 PolarHBondContact O-N 3.38Å; I409-H412 PolarHBondContact O-N 2.91Å; I409-S413 PolarHBondContact O-N 2.68Å
410	G	58.3	Low	57.5	Low	15 Å²	15	73.5 Å²	73.5	16%	0.155	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-15	170.7	0	0	0	0	0	116.1	Q406 H408 S413	Q406-G410 PolarHBondContact O-N 3.18Å; H408-G410 PolarHBondContact O-N 3.14Å; G410-S413 WeakPolarHBondContact CA-OG 3.41Å; G410-S413 PolarHBondContact O-OG 2.91Å
411	T	53.9	Low	57.3	Low	69 Å²	69	74 Å²	74	42%	0.423	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-10.3	173.9	66.2	0	0	0	0	114	H408 I409	H408-T411 PolarHBondContact CE1-OG1 3.13Å; H408-T411 VanDerWaalsContact CE1-OG1 3.29Å; H408-T411 PolarHBondContact ND1-OG1 3.49Å; H408-T411 WeakPolarHBondContact O-CA 3.43Å; H408-T411 WeakPolarHBondContact O-CB 3.35Å; H408-T411 PolarHBondContact O-N 3.13Å; H408-T411 PolarHBondContact O-OG1 3.43Å; I409-T411 PolarHBondContact O-N 3.38Å
412	H	55.1	Low	56.4	Low	81 Å²	81	71.3 Å²	71.3	38%	0.375	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-40.7	169.3	-57.3	-62.8	0	0	0	111.3	E394 C395 H408 I409 G414	E394-H412 WeakPolarHBondContact OE2-CB 3.39Å; E394-H412 IonicContact OE2-CD2 3.76Å; E394-H412 IonicContact OE2-CG 2.98Å; C395-H412 WeakPolarHBondContact CB-NE2 3.09Å; C395-H412 PolarHBondContact SG-NE2 3.46Å; H408-H412 AromaticContact CE1-NE2 3.89Å; H408-H412 AromaticContact NE2-NE2 3.96Å; I409-H412 PolarHBondContact O-N 2.91Å; H412-G414 PolarHBondContact O-N 2.93Å
413	S	57.7	Low	55.8	Low	67 Å²	67	71.4 Å²	71.4	47%	0.469	41%	0.405	S	S	.	.	S	Bend	trans	-66.7	-7.8	-176.8	63	0	0	0	0	115.6	I409 G410 V415	I409-S413 PolarHBondContact O-N 2.68Å; G410-S413 WeakPolarHBondContact CA-OG 3.41Å; G410-S413 PolarHBondContact O-OG 2.91Å; S413-V415 WeakPolarHBondContact O-CG2 3.31Å; S413-V415 PolarHBondContact O-N 3.21Å
414	G	52.8	Low	54.8	Low	57 Å²	57	68.4 Å²	68.4	59%	0.588	40%	0.403	S	S	*	.			trans	68.6	-25.7	-178	0	0	0	0	0	116.4	H412 A416	H412-G414 PolarHBondContact O-N 2.93Å; G414-A416 PolarHBondContact O-N 3.08Å
415	V	50	Low	54.5	Low	95 Å²	95	70 Å²	70	58%	0.576	41%	0.407	S	S	*	.			trans	-57	106.7	-174.2	-175	0	0	0	0	112.7	S413 R417	S413-V415 WeakPolarHBondContact O-CG2 3.31Å; S413-V415 PolarHBondContact O-N 3.21Å; V415-R417 PolarHBondContact O-N 2.82Å; V415-R417 VanDerWaalsContact O-N 3.08Å
416	A	51.5	Low	53.7	Low	33 Å²	33	70.8 Å²	70.8	27%	0.273	42%	0.421	S	S	.	.			trans	-75.5	91.1	175.6	0	0	0	0	0	112.1	G414 H418 L419 G426	G414-A416 PolarHBondContact O-N 3.08Å; A416-H418 PolarHBondContact O-N 2.67Å; A416-L419 HydrophobicContact CB-CD2 4.25Å; A416-G426 VanDerWaalsContact CB-C 3.47Å
417	R	54.2	Low	54.1	Low	182 Å²	182	67.3 Å²	67.3	69%	0.687	40%	0.404	S	S	*	.	S	Bend	trans	-67.3	-17	176.9	-73.4	-175.4	171.1	146.2	1.5	114.8	V415 F427	V415-R417 PolarHBondContact O-N 2.82Å; V415-R417 VanDerWaalsContact O-N 3.08Å; R417-F427 PolarHBondContact N-O 3.26Å
418	H	58	Low	54.1	Low	60 Å²	60	66.5 Å²	66.5	28%	0.278	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	92.2	-176.4	-62.2	-76.4	0	0	0	110.3	A416 F427 T429 E430 L433	A416-H418 PolarHBondContact O-N 2.67Å; H418-F427 HydrophobicContact CB-CB 4.3Å; H418-F427 PolarHBondContact N-O 3.12Å; H418-F427 WeakPolarHBondContact O-CB 3.43Å; H418-F427 PolarHBondContact O-N 3.3Å; H418-T429 VanDerWaalsContact CD2-C 3.45Å; H418-E430 PolarHBondContact CD2-N 3.17Å; H418-E430 VanDerWaalsContact CD2-N 3.29Å; H418-E430 PolarHBondContact NE2-N 3.01Å; H418-L433 HydrophobicContact CB-CB 4Å; H418-L433 HydrophobicContact CB-CD2 3.77Å; H418-L433 HydrophobicContact CB-CG 4.47Å
419	L	49.9	Very low	54	Low	104 Å²	104	67.8 Å²	67.8	55%	0.545	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	143.5	175.9	-57.8	-178	0	0	0	111.6	A416 L433 R437	A416-L419 HydrophobicContact CB-CD2 4.25Å; L419-L433 WeakPolarHBondContact O-CD2 3.17Å; L419-R437 PolarHBondContact O-NH2 2.81Å
420	C	51.9	Low	53.6	Low	2 Å²	2	70.9 Å²	70.9	1%	0.014	42%	0.422	C	S	.	.			trans	-82.1	114.8	166.4	-168.3	0	0	0	0	109.2	D422 C423 G424 N425 F427 L433 H436 H440	C420-D422 PolarHBondContact O-N 2.89Å; C420-D422 PolarHBondContact SG-OD2 2.96Å; C420-C423 PolarHBondContact O-N 3.33Å; C420-G424 VanDerWaalsContact O-CA 3.3Å; C420-G424 WeakPolarHBondContact O-CA 3.43Å; C420-G424 PolarHBondContact O-N 3.34Å; C420-N425 HydrophobicContact CB-CB 4.37Å; C420-N425 PolarHBondContact N-O 3.15Å; C420-F427 HydrophobicContact CB-CE2 4.2Å; C420-L433 HydrophobicContact CB-CD1 3.72Å; C420-H436 PolarHBondContact SG-CD2 2.99Å; C420-H440 PolarHBondContact SG-CD2 3.13Å; C420-H440 PolarHBondContact SG-NE2 3.22Å
421	V	50.6	Low	53.5	Low	121 Å²	121	76.2 Å²	76.2	73%	0.733	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-35.5	177.2	176.8	0	0	0	0	110.1	C423	V421-C423 VanDerWaalsContact C-N 3.31Å; V421-C423 PolarHBondContact O-N 2.97Å
422	D	45.4	Very low	54	Low	92 Å²	92	75.7 Å²	75.7	49%	0.492	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-16.6	-173.1	-26.6	-66.3	0	0	0	113.6	C420 R437 H440	C420-D422 PolarHBondContact O-N 2.89Å; C420-D422 PolarHBondContact SG-OD2 2.96Å; D422-R437 WeakPolarHBondContact OD2-CG 3.4Å; D422-R437 IonicContact OD2-NE 3.55Å; D422-H440 HydrophobicContact CB-CB 4.2Å; D422-H440 IonicContact OD2-CD2 3.73Å; D422-H440 PolarHBondContact OD2-CD2 3.07Å
423	C	48	Very low	54.5	Low	55 Å²	55	72.4 Å²	72.4	37%	0.372	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-160.5	18.3	-178.5	80.6	0	0	0	0	116.2	C420 V421 N425 H436 H440	C420-C423 PolarHBondContact O-N 3.33Å; V421-C423 VanDerWaalsContact C-N 3.31Å; V421-C423 PolarHBondContact O-N 2.97Å; C423-N425 PolarHBondContact O-N 3.32Å; C423-N425 PolarHBondContact SG-ND2 2.91Å; C423-H436 PolarHBondContact SG-NE2 3.28Å; C423-H440 PolarHBondContact SG-NE2 3.26Å
424	G	42.4	Very low	54.8	Low	56 Å²	56	72.4 Å²	72.4	58%	0.577	42%	0.42	S	S	*	.			trans	69.3	-15.7	178	0	0	0	0	0	117.4	C420 G426	C420-G424 VanDerWaalsContact O-CA 3.3Å; C420-G424 WeakPolarHBondContact O-CA 3.43Å; C420-G424 PolarHBondContact O-N 3.34Å; G424-G426 PolarHBondContact O-N 3.23Å
425	N	54.8	Low	55.3	Low	85 Å²	85	75.4 Å²	75.4	46%	0.455	42%	0.42	S	S	.	.			trans	-57.6	131.2	-173.4	-83.9	-47.6	0	0	0	112.8	C420 C423 F427	C420-N425 HydrophobicContact CB-CB 4.37Å; C420-N425 PolarHBondContact N-O 3.15Å; C423-N425 PolarHBondContact O-N 3.32Å; C423-N425 PolarHBondContact SG-ND2 2.91Å; N425-F427 HydrophobicContact CB-CE2 3.58Å; N425-F427 HydrophobicContact CB-CZ 3.84Å; N425-F427 WeakPolarHBondContact O-CD2 3.43Å; N425-F427 VanDerWaalsContact O-CE2 3.26Å; N425-F427 WeakPolarHBondContact O-CE2 3.46Å
426	G	48.4	Very low	56.1	Low	39 Å²	39	72.6 Å²	72.6	40%	0.402	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	131.2	-177.8	0	0	0	0	0	114.2	A416 G424	A416-G426 VanDerWaalsContact CB-C 3.47Å; G424-G426 PolarHBondContact O-N 3.23Å
427	F	67.2	Low	56.5	Low	42 Å²	42	75.5 Å²	75.5	18%	0.184	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	142.6	178.3	-60.3	-85.3	0	0	0	112.5	R417 H418 C420 N425 L433 H436	R417-F427 PolarHBondContact N-O 3.26Å; H418-F427 HydrophobicContact CB-CB 4.3Å; H418-F427 PolarHBondContact N-O 3.12Å; H418-F427 WeakPolarHBondContact O-CB 3.43Å; H418-F427 PolarHBondContact O-N 3.3Å; C420-F427 HydrophobicContact CB-CE2 4.2Å; N425-F427 HydrophobicContact CB-CE2 3.58Å; N425-F427 HydrophobicContact CB-CZ 3.84Å; N425-F427 WeakPolarHBondContact O-CD2 3.43Å; N425-F427 VanDerWaalsContact O-CE2 3.26Å; N425-F427 WeakPolarHBondContact O-CE2 3.46Å; F427-L433 HydrophobicContact CB-CB 4.17Å; F427-L433 HydrophobicContact CD2-CB 4.14Å; F427-L433 HydrophobicContact CD2-CD1 3.79Å; F427-L433 HydrophobicContact CE2-CD1 4.18Å; F427-L433 HydrophobicContact CG-CB 4.27Å; F427-H436 HydrophobicContact CE1-CB 3.99Å; F427-H436 HydrophobicContact CE2-CB 3.93Å; F427-H436 AromaticContact CE2-CD2 3.21Å; F427-H436 WeakPolarHBondContact CE2-CD2 3.41Å; F427-H436 AromaticContact CE2-CG 3.63Å; F427-H436 AromaticContact CE2-NE2 3.87Å; F427-H436 HydrophobicContact CZ-CB 3.54Å; F427-H436 AromaticContact CZ-CD2 3.29Å; F427-H436 WeakPolarHBondContact CZ-CD2 3.41Å; F427-H436 AromaticContact CZ-CG 3.24Å; F427-H436 AromaticContact CZ-ND1 3.76Å; F427-H436 AromaticContact CZ-NE2 3.79Å
428	T	59.4	Low	56.9	Low	64 Å²	64	72.8 Å²	72.8	39%	0.393	40%	0.397	S	S	.	.	S	Bend	trans	-81	-12.2	176.8	50.1	0	0	0	0	113.7
429	T	62.9	Low	56.8	Low	48 Å²	48	75 Å²	75	29%	0.294	42%	0.415	S	S	.	.	S	Bend	trans	-139.7	145.9	176	79.6	0	0	0	0	111.9	H418 M431 T432 L433	H418-T429 VanDerWaalsContact CD2-C 3.45Å; T429-M431 VanDerWaalsContact C-N 3.3Å; T429-M431 PolarHBondContact O-N 3.09Å; T429-T432 PolarHBondContact O-N 2.87Å; T429-T432 PolarHBondContact O-OG1 2.79Å; T429-T432 PolarHBondContact OG1-N 3.27Å; T429-T432 VanDerWaalsContact OG1-N 3.15Å; T429-T432 PolarHBondContact OG1-OG1 3.35Å; T429-L433 PolarHBondContact O-N 2.78Å; T429-L433 VanDerWaalsContact O-N 3.12Å
430	E	53.9	Low	57	Low	122 Å²	122	73.9 Å²	73.9	57%	0.57	41%	0.407	S	S	*	.	H	α-helix	trans	-58.6	-39.5	174.9	-168.7	-177.7	-160.4	0	0	112.4	H418 T432 L433 I434	H418-E430 PolarHBondContact CD2-N 3.17Å; H418-E430 VanDerWaalsContact CD2-N 3.29Å; H418-E430 PolarHBondContact NE2-N 3.01Å; E430-T432 VanDerWaalsContact C-N 3.34Å; E430-T432 PolarHBondContact O-N 3.4Å; E430-L433 WeakPolarHBondContact O-CB 3.32Å; E430-L433 PolarHBondContact O-N 3.21Å; E430-I434 HydrophobicContact CG-CD1 3.91Å; E430-I434 HydrophobicContact CG-CG1 4.46Å; E430-I434 WeakPolarHBondContact O-CG1 3.34Å; E430-I434 PolarHBondContact O-N 3.3Å
431	M	56.4	Low	57.1	Low	126 Å²	126	78 Å²	78	62%	0.621	43%	0.432	S	S	*	.	H	α-helix	trans	-64.5	-35.8	179	-174.5	59.8	62.3	0	0	112.6	T429 I434 M435	T429-M431 VanDerWaalsContact C-N 3.3Å; T429-M431 PolarHBondContact O-N 3.09Å; M431-I434 PolarHBondContact O-N 3.12Å; M431-M435 PolarHBondContact O-N 2.92Å
432	T	62.5	Low	56.9	Low	58 Å²	58	76.5 Å²	76.5	36%	0.356	43%	0.432	S	S	.	.	H	α-helix	trans	-73.4	-34.9	174	47.5	0	0	0	0	112.1	T429 E430 M435 H436	T429-T432 PolarHBondContact O-N 2.87Å; T429-T432 PolarHBondContact O-OG1 2.79Å; T429-T432 PolarHBondContact OG1-N 3.27Å; T429-T432 VanDerWaalsContact OG1-N 3.15Å; T429-T432 PolarHBondContact OG1-OG1 3.35Å; E430-T432 VanDerWaalsContact C-N 3.34Å; E430-T432 PolarHBondContact O-N 3.4Å; T432-M435 PolarHBondContact O-N 2.84Å; T432-H436 WeakPolarHBondContact O-CB 3.48Å; T432-H436 PolarHBondContact O-N 3.34Å
433	L	67	Low	57.2	Low	13 Å²	13	77.9 Å²	77.9	7%	0.068	44%	0.44	C	S	.	.	H	α-helix	trans	-61.8	-45.6	168.5	175.1	62.5	0	0	0	111.7	H418 L419 C420 F427 T429 E430 M435 H436 R437	H418-L433 HydrophobicContact CB-CB 4Å; H418-L433 HydrophobicContact CB-CD2 3.77Å; H418-L433 HydrophobicContact CB-CG 4.47Å; L419-L433 WeakPolarHBondContact O-CD2 3.17Å; C420-L433 HydrophobicContact CB-CD1 3.72Å; F427-L433 HydrophobicContact CB-CB 4.17Å; F427-L433 HydrophobicContact CD2-CB 4.14Å; F427-L433 HydrophobicContact CD2-CD1 3.79Å; F427-L433 HydrophobicContact CE2-CD1 4.18Å; F427-L433 HydrophobicContact CG-CB 4.27Å; T429-L433 PolarHBondContact O-N 2.78Å; T429-L433 VanDerWaalsContact O-N 3.12Å; E430-L433 WeakPolarHBondContact O-CB 3.32Å; E430-L433 PolarHBondContact O-N 3.21Å; L433-M435 VanDerWaalsContact C-N 3.32Å; L433-M435 PolarHBondContact O-N 2.88Å; L433-H436 CarbonylContact O-C 3.52Å; L433-H436 WeakPolarHBondContact O-CA 3.47Å; L433-H436 WeakPolarHBondContact O-CB 3.43Å; L433-H436 PolarHBondContact O-N 3.42Å; L433-R437 HydrophobicContact CD1-CG 3.91Å; L433-R437 HydrophobicContact CG-CG 4.3Å; L433-R437 PolarHBondContact O-N 3.24Å
434	I	64.5	Low	57.4	Low	66 Å²	66	77.8 Å²	77.8	34%	0.338	44%	0.438	S	S	.	.	H	α-helix	trans	-63.6	-37.6	178.4	-70.4	166.4	0	0	0	111.3	E430 M431 H436 K438	E430-I434 HydrophobicContact CG-CD1 3.91Å; E430-I434 HydrophobicContact CG-CG1 4.46Å; E430-I434 WeakPolarHBondContact O-CG1 3.34Å; E430-I434 PolarHBondContact O-N 3.3Å; M431-I434 PolarHBondContact O-N 3.12Å; I434-H436 VanDerWaalsContact C-N 3.31Å; I434-K438 WeakPolarHBondContact O-CD 3.48Å; I434-K438 VanDerWaalsContact O-CG 3.3Å; I434-K438 WeakPolarHBondContact O-CG 3.18Å; I434-K438 PolarHBondContact O-N 2.84Å
435	M	62	Low	57.9	Low	120 Å²	120	79.8 Å²	79.8	59%	0.591	43%	0.431	S	S	*	.	H	α-helix	trans	-66.4	-31.5	171	-86.4	-172	54.2	0	0	113.1	M431 T432 L433	M431-M435 PolarHBondContact O-N 2.92Å; T432-M435 PolarHBondContact O-N 2.84Å; L433-M435 VanDerWaalsContact C-N 3.32Å; L433-M435 PolarHBondContact O-N 2.88Å
436	H	66.4	Low	58.2	Low	36 Å²	36	78.3 Å²	78.3	17%	0.167	42%	0.421	C	S	.	.	H	α-helix	trans	-79.5	-41.7	179	178.3	65.2	0	0	0	112.9	C420 C423 F427 T432 L433 I434 K438 V439 H440	C420-H436 PolarHBondContact SG-CD2 2.99Å; C423-H436 PolarHBondContact SG-NE2 3.28Å; F427-H436 HydrophobicContact CE1-CB 3.99Å; F427-H436 HydrophobicContact CE2-CB 3.93Å; F427-H436 AromaticContact CE2-CD2 3.21Å; F427-H436 WeakPolarHBondContact CE2-CD2 3.41Å; F427-H436 AromaticContact CE2-CG 3.63Å; F427-H436 AromaticContact CE2-NE2 3.87Å; F427-H436 HydrophobicContact CZ-CB 3.54Å; F427-H436 AromaticContact CZ-CD2 3.29Å; F427-H436 WeakPolarHBondContact CZ-CD2 3.41Å; F427-H436 AromaticContact CZ-CG 3.24Å; F427-H436 AromaticContact CZ-ND1 3.76Å; F427-H436 AromaticContact CZ-NE2 3.79Å; T432-H436 WeakPolarHBondContact O-CB 3.48Å; T432-H436 PolarHBondContact O-N 3.34Å; L433-H436 CarbonylContact O-C 3.52Å; L433-H436 WeakPolarHBondContact O-CA 3.47Å; L433-H436 WeakPolarHBondContact O-CB 3.43Å; L433-H436 PolarHBondContact O-N 3.42Å; I434-H436 VanDerWaalsContact C-N 3.31Å; H436-K438 PolarHBondContact O-N 2.94Å; H436-V439 WeakPolarHBondContact O-CA 3.39Å; H436-V439 VanDerWaalsContact O-CB 3.22Å; H436-V439 WeakPolarHBondContact O-CB 3.26Å; H436-V439 WeakPolarHBondContact O-CG2 3.21Å; H436-V439 PolarHBondContact O-N 3.28Å; H436-H440 AromaticContact CD2-NE2 3.74Å; H436-H440 AromaticContact CE1-NE2 3.63Å; H436-H440 AromaticContact NE2-CE1 3.93Å; H436-H440 AromaticContact NE2-NE2 3.17Å; H436-H440 PolarHBondContact NE2-NE2 2.92Å; H436-H440 VanDerWaalsContact NE2-NE2 3.17Å
437	R	60.9	Low	58.5	Low	95 Å²	95	83.3 Å²	83.3	36%	0.358	43%	0.428	S	S	.	.	H	α-helix	trans	-60.5	-26.8	173	-66.1	-165.1	-173.2	-170.3	-0.5	112.5	L419 D422 L433 V439 H440 V441	L419-R437 PolarHBondContact O-NH2 2.81Å; D422-R437 WeakPolarHBondContact OD2-CG 3.4Å; D422-R437 IonicContact OD2-NE 3.55Å; L433-R437 HydrophobicContact CD1-CG 3.91Å; L433-R437 HydrophobicContact CG-CG 4.3Å; L433-R437 PolarHBondContact O-N 3.24Å; R437-V439 PolarHBondContact O-N 3.26Å; R437-V439 VanDerWaalsContact O-N 3.15Å; R437-H440 PolarHBondContact O-N 3.27Å; R437-V441 PolarHBondContact O-N 3.38Å
438	K	61.8	Low	58.4	Low	124 Å²	124	81.4 Å²	81.4	54%	0.539	42%	0.42	S	S	.	.	H	α-helix	trans	-70.6	5.9	169.1	-71.9	172.9	-177.3	179.9	0	114.9	I434 H436 P444	I434-K438 WeakPolarHBondContact O-CD 3.48Å; I434-K438 VanDerWaalsContact O-CG 3.3Å; I434-K438 WeakPolarHBondContact O-CG 3.18Å; I434-K438 PolarHBondContact O-N 2.84Å; H436-K438 PolarHBondContact O-N 2.94Å; K438-P444 HydrophobicContact CB-CG 4.24Å; K438-P444 HydrophobicContact CG-CG 4.48Å
439	V	56	Low	58.4	Low	108 Å²	108	86.8 Å²	86.8	66%	0.655	44%	0.441	S	S	*	.	H	α-helix	trans	-100	-28.9	166.1	-173.1	0	0	0	0	110.9	H436 R437	H436-V439 WeakPolarHBondContact O-CA 3.39Å; H436-V439 VanDerWaalsContact O-CB 3.22Å; H436-V439 WeakPolarHBondContact O-CB 3.26Å; H436-V439 WeakPolarHBondContact O-CG2 3.21Å; H436-V439 PolarHBondContact O-N 3.28Å; R437-V439 PolarHBondContact O-N 3.26Å; R437-V439 VanDerWaalsContact O-N 3.15Å
440	H	54.1	Low	58.6	Low	79 Å²	79	89.9 Å²	89.9	37%	0.366	45%	0.454	S	S	.	.	H	α-helix	trans	-85.3	-31.2	176.5	-55	-48.6	0	0	0	112.6	C420 D422 C423 H436 R437 A442	C420-H440 PolarHBondContact SG-CD2 3.13Å; C420-H440 PolarHBondContact SG-NE2 3.22Å; D422-H440 HydrophobicContact CB-CB 4.2Å; D422-H440 IonicContact OD2-CD2 3.73Å; D422-H440 PolarHBondContact OD2-CD2 3.07Å; C423-H440 PolarHBondContact SG-NE2 3.26Å; H436-H440 AromaticContact CD2-NE2 3.74Å; H436-H440 AromaticContact CE1-NE2 3.63Å; H436-H440 AromaticContact NE2-CE1 3.93Å; H436-H440 AromaticContact NE2-NE2 3.17Å; H436-H440 PolarHBondContact NE2-NE2 2.92Å; H436-H440 VanDerWaalsContact NE2-NE2 3.17Å; R437-H440 PolarHBondContact O-N 3.27Å; H440-A442 PolarHBondContact O-N 3.26Å
441	V	54.8	Low	59.7	Low	89 Å²	89	86.1 Å²	86.1	54%	0.539	44%	0.441	S	S	.	.	S	Bend	trans	-70.3	113.9	166.9	177.5	0	0	0	0	108.8	R437 D443	R437-V441 PolarHBondContact O-N 3.38Å; V441-D443 PolarHBondContact O-N 3.28Å; V441-D443 VanDerWaalsContact O-N 3.07Å
442	A	46.8	Very low	60	Low	90 Å²	90	84.6 Å²	84.6	74%	0.744	44%	0.435	S	S	*	.	S	Bend	trans	-63.3	-14.4	-170.2	0	0	0	0	0	115.7	H440	H440-A442 PolarHBondContact O-N 3.26Å
443	D	51.1	Low	60	Low	120 Å²	120	87.7 Å²	87.7	64%	0.642	44%	0.444	S	S	*	.			trans	-138.2	107.6	172.5	-156.2	-7.8	0	0	0	113.3	V441 F445	V441-D443 PolarHBondContact O-N 3.28Å; V441-D443 VanDerWaalsContact O-N 3.07Å; D443-F445 PolarHBondContact OD1-N 3.25Å
444	P	53.1	Low	60	Low	53 Å²	53	90.9 Å²	90.9	34%	0.344	46%	0.464	S	S	.	.			trans	-137.5	50.8	131.6	38	-26.4	0	0	0	111.7	K438 H446	K438-P444 HydrophobicContact CB-CG 4.24Å; K438-P444 HydrophobicContact CG-CG 4.48Å; P444-H446 PolarHBondContact O-N 2.79Å; P444-H446 PolarHBondContact O-ND1 3.34Å
445	F	52	Low	60	Low	99 Å²	99	89.8 Å²	89.8	43%	0.434	46%	0.457	S	S	.	.			trans	-72.5	115.7	-179.7	-75.6	-78	0	0	0	111.4	D443 R447 T454 T456	D443-F445 PolarHBondContact OD1-N 3.25Å; F445-R447 VanDerWaalsContact C-N 3.3Å; F445-R447 PolarHBondContact O-N 3.25Å; F445-T454 HydrophobicContact CB-CG2 3.99Å; F445-T454 HydrophobicContact CG-CG2 4.42Å; F445-T456 HydrophobicContact CD1-CG2 4.07Å; F445-T456 HydrophobicContact CE1-CG2 3.59Å; F445-T456 HydrophobicContact CZ-CG2 4.49Å
446	H	60.3	Low	59.6	Low	53 Å²	53	89.5 Å²	89.5	25%	0.245	46%	0.462	C	S	.	.			trans	-76	86	177.2	-63.4	49.4	0	0	0	109.1	P444 F455 M458 Y461	P444-H446 PolarHBondContact O-N 2.79Å; P444-H446 PolarHBondContact O-ND1 3.34Å; H446-F455 HydrophobicContact CB-CB 4.31Å; H446-F455 WeakPolarHBondContact CB-O 3.14Å; H446-F455 PolarHBondContact N-O 3.24Å; H446-F455 WeakPolarHBondContact O-CD2 3.4Å; H446-F455 PolarHBondContact O-N 3.46Å; H446-F455 VanDerWaalsContact O-N 3.12Å; H446-M458 VanDerWaalsContact CD2-SD 3.53Å; H446-M458 VanDerWaalsContact NE2-CE 3.29Å; H446-M458 WeakPolarHBondContact NE2-CE 3.43Å; H446-Y461 HydrophobicContact CB-CD1 4.08Å; H446-Y461 HydrophobicContact CB-CD2 3.76Å; H446-Y461 HydrophobicContact CB-CE2 4.4Å; H446-Y461 HydrophobicContact CB-CG 3.58Å; H446-Y461 WeakPolarHBondContact O-CD2 3.4Å
447	R	54.9	Low	59.3	Low	144 Å²	144	90.3 Å²	90.3	54%	0.543	47%	0.468	S	S	.	.			trans	-77.5	124	-176.7	-171.4	169.8	173.9	153.8	-5.9	110.7	F445 Q449 N452 T454	F445-R447 VanDerWaalsContact C-N 3.3Å; F445-R447 PolarHBondContact O-N 3.25Å; R447-Q449 PolarHBondContact O-N 3.46Å; R447-N452 VanDerWaalsContact CZ-OD1 3.29Å; R447-N452 PolarHBondContact NE-OD1 2.72Å; R447-N452 PolarHBondContact NH2-OD1 3.09Å; R447-T454 HydrophobicContact CB-CG2 4.14Å; R447-T454 HydrophobicContact CG-CG2 4.12Å
448	C	66.6	Low	58.9	Low	2 Å²	2	90.2 Å²	90.2	1%	0.014	47%	0.473	C	S	.	.			trans	-74.6	108.2	173.8	-171.8	0	0	0	0	110.3	I450 C451 N452 K453 F455 Y461 H468	C448-I450 PolarHBondContact O-N 3.16Å; C448-I450 VanDerWaalsContact O-N 3.08Å; C448-C451 PolarHBondContact O-N 2.81Å; C448-N452 VanDerWaalsContact O-CA 3.22Å; C448-N452 WeakPolarHBondContact O-CA 3.31Å; C448-N452 PolarHBondContact O-N 2.88Å; C448-K453 PolarHBondContact N-O 3.24Å; C448-F455 HydrophobicContact CB-CE2 4.45Å; C448-Y461 HydrophobicContact CB-CE2 4.35Å; C448-H468 VanDerWaalsContact SG-CD2 3.56Å; C448-H468 PolarHBondContact SG-NE2 2.93Å
449	Q	59	Low	58.7	Low	177 Å²	177	89.4 Å²	89.4	83%	0.827	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-25.2	179.7	-69.2	168.5	-29.2	0	0	113.5	R447	R447-Q449 PolarHBondContact O-N 3.46Å
450	I	67.6	Low	58.9	Low	113 Å²	113	90.6 Å²	90.6	58%	0.579	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-28.6	-177.5	-57.3	172	0	0	0	112.7	C448 H468	C448-I450 PolarHBondContact O-N 3.16Å; C448-I450 VanDerWaalsContact O-N 3.08Å; I450-H468 HydrophobicContact CD1-CB 3.65Å; I450-H468 HydrophobicContact CG2-CB 4.34Å
451	C	75.5	Confident	59.5	Low	44 Å²	44	88.5 Å²	88.5	30%	0.297	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-146.7	21.1	-178.3	74.4	0	0	0	0	115.1	C448 K453 H464	C448-C451 PolarHBondContact O-N 2.81Å; C451-K453 PolarHBondContact O-N 3.45Å; C451-H464 PolarHBondContact SG-NE2 3.41Å
452	N	62.9	Low	59.8	Low	93 Å²	93	88.2 Å²	88.2	50%	0.497	46%	0.459	S	S	.	.			trans	54.7	4.6	177.3	-76.1	-57.2	0	0	0	118.1	R447 C448 T454	R447-N452 VanDerWaalsContact CZ-OD1 3.29Å; R447-N452 PolarHBondContact NE-OD1 2.72Å; R447-N452 PolarHBondContact NH2-OD1 3.09Å; C448-N452 VanDerWaalsContact O-CA 3.22Å; C448-N452 WeakPolarHBondContact O-CA 3.31Å; C448-N452 PolarHBondContact O-N 2.88Å; N452-T454 PolarHBondContact O-N 3.42Å
453	K	63.2	Low	60.7	Low	124 Å²	124	92.1 Å²	92.1	54%	0.539	46%	0.455	S	S	.	.			trans	-66.7	126.1	177.6	-69.8	172.1	-170.4	167.6	0	111.4	C448 C451 F455	C448-K453 PolarHBondContact N-O 3.24Å; C451-K453 PolarHBondContact O-N 3.45Å; K453-F455 HydrophobicContact CB-CE2 3.62Å; K453-F455 HydrophobicContact CB-CZ 4.06Å; K453-F455 VanDerWaalsContact O-CD2 3.31Å; K453-F455 WeakPolarHBondContact O-CD2 3.49Å; K453-F455 VanDerWaalsContact O-CE2 3.31Å; K453-F455 WeakPolarHBondContact O-CE2 3.39Å
454	T	67.5	Low	61.6	Low	79 Å²	79	87.6 Å²	87.6	49%	0.485	43%	0.43	S	S	.	.			trans	-89.1	143.6	177.5	47.2	0	0	0	0	111.6	F445 R447 N452	F445-T454 HydrophobicContact CB-CG2 3.99Å; F445-T454 HydrophobicContact CG-CG2 4.42Å; R447-T454 HydrophobicContact CB-CG2 4.14Å; R447-T454 HydrophobicContact CG-CG2 4.12Å; N452-T454 PolarHBondContact O-N 3.42Å
455	F	63.1	Low	62.1	Low	43 Å²	43	91.2 Å²	91.2	19%	0.189	44%	0.437	C	S	.	.			trans	-134.7	124.7	-178.7	-66.1	-94.8	0	0	0	111.3	H446 C448 K453 N457 K460 Y461 H464	H446-F455 HydrophobicContact CB-CB 4.31Å; H446-F455 WeakPolarHBondContact CB-O 3.14Å; H446-F455 PolarHBondContact N-O 3.24Å; H446-F455 WeakPolarHBondContact O-CD2 3.4Å; H446-F455 PolarHBondContact O-N 3.46Å; H446-F455 VanDerWaalsContact O-N 3.12Å; C448-F455 HydrophobicContact CB-CE2 4.45Å; K453-F455 HydrophobicContact CB-CE2 3.62Å; K453-F455 HydrophobicContact CB-CZ 4.06Å; K453-F455 VanDerWaalsContact O-CD2 3.31Å; K453-F455 WeakPolarHBondContact O-CD2 3.49Å; K453-F455 VanDerWaalsContact O-CE2 3.31Å; K453-F455 WeakPolarHBondContact O-CE2 3.39Å; F455-N457 PolarHBondContact O-N 3.31Å; F455-K460 HydrophobicContact CD1-CB 3.89Å; F455-Y461 HydrophobicContact CD2-CD2 4.22Å; F455-H464 HydrophobicContact CE1-CB 4.05Å; F455-H464 HydrophobicContact CE2-CB 4.15Å; F455-H464 AromaticContact CE2-CD2 3.2Å; F455-H464 WeakPolarHBondContact CE2-CD2 3.25Å; F455-H464 AromaticContact CE2-CG 3.83Å; F455-H464 HydrophobicContact CZ-CB 3.63Å; F455-H464 AromaticContact CZ-CD2 3.28Å; F455-H464 WeakPolarHBondContact CZ-CD2 3.45Å; F455-H464 AromaticContact CZ-CG 3.43Å; F455-H464 VanDerWaalsContact CZ-CG 3.43Å
456	T	54	Low	62.6	Low	115 Å²	115	93.8 Å²	93.8	71%	0.706	44%	0.444	S	S	*	.	S	Bend	trans	-76	8.4	173.5	53.7	0	0	0	0	113.8	F445	F445-T456 HydrophobicContact CD1-CG2 4.07Å; F445-T456 HydrophobicContact CE1-CG2 3.59Å; F445-T456 HydrophobicContact CZ-CG2 4.49Å
457	N	59.2	Low	62.8	Low	53 Å²	53	93.9 Å²	93.9	28%	0.283	45%	0.448	S	S	.	.			trans	-150.1	114.7	-172.6	-177.8	-78.6	0	0	0	110.8	F455 T459 K460 Y461	F455-N457 PolarHBondContact O-N 3.31Å; N457-T459 VanDerWaalsContact C-N 3.27Å; N457-T459 PolarHBondContact O-N 3.42Å; N457-T459 WeakPolarHBondContact OD1-CB 3.33Å; N457-T459 PolarHBondContact OD1-N 2.89Å; N457-T459 VanDerWaalsContact OD1-N 3.09Å; N457-K460 HydrophobicContact CB-CB 4.25Å; N457-K460 HydrophobicContact CB-CD 4.14Å; N457-K460 HydrophobicContact CB-CG 4.13Å; N457-K460 PolarHBondContact O-N 3.21Å; N457-K460 PolarHBondContact OD1-N 3.21Å; N457-Y461 PolarHBondContact O-N 2.89Å
458	M	54.4	Low	63.5	Low	93 Å²	93	89 Å²	89	46%	0.458	43%	0.431	S	S	.	.	H	α-helix	trans	-51	-41.9	179.4	176.8	63.3	90.2	0	0	112.8	H446 K460 Y461 L462	H446-M458 VanDerWaalsContact CD2-SD 3.53Å; H446-M458 VanDerWaalsContact NE2-CE 3.29Å; H446-M458 WeakPolarHBondContact NE2-CE 3.43Å; M458-K460 PolarHBondContact O-N 2.87Å; M458-Y461 WeakPolarHBondContact O-CB 3.48Å; M458-Y461 PolarHBondContact O-N 3.34Å; M458-Y461 HydrophobicContact SD-CD1 3.93Å; M458-L462 HydrophobicContact CG-CD1 3.85Å; M458-L462 HydrophobicContact CG-CG 4.25Å; M458-L462 WeakPolarHBondContact O-CB 3.48Å; M458-L462 WeakPolarHBondContact O-CG 3.43Å; M458-L462 PolarHBondContact O-N 3.13Å; M458-L462 HydrophobicContact SD-CD1 3.84Å; M458-L462 HydrophobicContact SD-CD2 4.19Å; M458-L462 HydrophobicContact SD-CG 3.78Å
459	T	56.9	Low	62.8	Low	107 Å²	107	94.8 Å²	94.8	66%	0.656	46%	0.462	S	S	*	.	H	α-helix	trans	-66.9	-36.9	-179.3	-44.9	0	0	0	0	112.2	N457 Y463	N457-T459 VanDerWaalsContact C-N 3.27Å; N457-T459 PolarHBondContact O-N 3.42Å; N457-T459 WeakPolarHBondContact OD1-CB 3.33Å; N457-T459 PolarHBondContact OD1-N 2.89Å; N457-T459 VanDerWaalsContact OD1-N 3.09Å; T459-Y463 WeakPolarHBondContact O-CB 3.5Å; T459-Y463 PolarHBondContact O-N 3.03Å; T459-Y463 VanDerWaalsContact O-N 3.1Å
460	K	60.8	Low	62	Low	133 Å²	133	92.1 Å²	92.1	58%	0.578	45%	0.453	S	S	*	.	H	α-helix	trans	-68.2	-41.7	171.3	-66.8	-177.5	-175.5	171.6	0	111.6	F455 N457 M458 Y463 H464	F455-K460 HydrophobicContact CD1-CB 3.89Å; N457-K460 HydrophobicContact CB-CB 4.25Å; N457-K460 HydrophobicContact CB-CD 4.14Å; N457-K460 HydrophobicContact CB-CG 4.13Å; N457-K460 PolarHBondContact O-N 3.21Å; N457-K460 PolarHBondContact OD1-N 3.21Å; M458-K460 PolarHBondContact O-N 2.87Å; K460-Y463 PolarHBondContact O-N 3.41Å; K460-H464 WeakPolarHBondContact O-CB 3.43Å; K460-H464 PolarHBondContact O-N 3.5Å
461	Y	66.6	Low	60.9	Low	34 Å²	34	93.6 Å²	93.6	13%	0.133	46%	0.457	C	S	.	.	H	α-helix	trans	-58.9	-49.9	175.5	169.6	-108.6	0	0	0	112	H446 C448 F455 N457 M458 Y463 H464 R465	H446-Y461 HydrophobicContact CB-CD1 4.08Å; H446-Y461 HydrophobicContact CB-CD2 3.76Å; H446-Y461 HydrophobicContact CB-CE2 4.4Å; H446-Y461 HydrophobicContact CB-CG 3.58Å; H446-Y461 WeakPolarHBondContact O-CD2 3.4Å; C448-Y461 HydrophobicContact CB-CE2 4.35Å; F455-Y461 HydrophobicContact CD2-CD2 4.22Å; N457-Y461 PolarHBondContact O-N 2.89Å; M458-Y461 WeakPolarHBondContact O-CB 3.48Å; M458-Y461 PolarHBondContact O-N 3.34Å; M458-Y461 HydrophobicContact SD-CD1 3.93Å; Y461-Y463 PolarHBondContact O-N 3.5Å; Y461-H464 PolarHBondContact O-N 3.24Å; Y461-R465 WeakPolarHBondContact O-CB 3.49Å; Y461-R465 PolarHBondContact O-N 2.98Å
462	L	60.9	Low	58.7	Low	83 Å²	83	99.6 Å²	99.6	44%	0.435	48%	0.481	S	S	.	.	H	α-helix	trans	-65.5	-37	179.4	-68.1	173.7	0	0	0	112.3	M458 R466	M458-L462 HydrophobicContact CG-CD1 3.85Å; M458-L462 HydrophobicContact CG-CG 4.25Å; M458-L462 WeakPolarHBondContact O-CB 3.48Å; M458-L462 WeakPolarHBondContact O-CG 3.43Å; M458-L462 PolarHBondContact O-N 3.13Å; M458-L462 HydrophobicContact SD-CD1 3.84Å; M458-L462 HydrophobicContact SD-CD2 4.19Å; M458-L462 HydrophobicContact SD-CG 3.78Å; L462-R466 PolarHBondContact O-N 3.25Å; L462-R466 VanDerWaalsContact O-N 3.1Å
463	Y	66.1	Low	57.4	Low	172 Å²	172	100.6 Å²	100.6	68%	0.675	49%	0.493	S	S	*	.	H	α-helix	trans	-65.6	-41.5	173.2	-169.9	-97.2	0	0	0	111.8	T459 K460 Y461 R466 T467	T459-Y463 WeakPolarHBondContact O-CB 3.5Å; T459-Y463 PolarHBondContact O-N 3.03Å; T459-Y463 VanDerWaalsContact O-N 3.1Å; K460-Y463 PolarHBondContact O-N 3.41Å; Y461-Y463 PolarHBondContact O-N 3.5Å; Y463-R466 WeakPolarHBondContact O-CB 3.32Å; Y463-R466 PolarHBondContact O-N 2.89Å; Y463-T467 PolarHBondContact O-N 3.05Å
464	H	69.9	Low	55.9	Low	26 Å²	26	100.5 Å²	100.5	12%	0.12	51%	0.508	C	S	.	.	H	α-helix	trans	-68.9	-41.6	175.6	174.8	49	0	0	0	112.8	C451 F455 K460 Y461 R466 T467 H468	C451-H464 PolarHBondContact SG-NE2 3.41Å; F455-H464 HydrophobicContact CE1-CB 4.05Å; F455-H464 HydrophobicContact CE2-CB 4.15Å; F455-H464 AromaticContact CE2-CD2 3.2Å; F455-H464 WeakPolarHBondContact CE2-CD2 3.25Å; F455-H464 AromaticContact CE2-CG 3.83Å; F455-H464 HydrophobicContact CZ-CB 3.63Å; F455-H464 AromaticContact CZ-CD2 3.28Å; F455-H464 WeakPolarHBondContact CZ-CD2 3.45Å; F455-H464 AromaticContact CZ-CG 3.43Å; F455-H464 VanDerWaalsContact CZ-CG 3.43Å; K460-H464 WeakPolarHBondContact O-CB 3.43Å; K460-H464 PolarHBondContact O-N 3.5Å; Y461-H464 PolarHBondContact O-N 3.24Å; H464-R466 PolarHBondContact O-N 3.1Å; H464-T467 PolarHBondContact ND1-OG1 3.21Å; H464-T467 PolarHBondContact O-N 2.82Å; H464-T467 PolarHBondContact O-OG1 3.37Å; H464-H468 AromaticContact CE1-CE1 3.74Å; H464-H468 AromaticContact CE1-NE2 3.21Å; H464-H468 PolarHBondContact CE1-NE2 2.93Å; H464-H468 AromaticContact NE2-NE2 3.16Å; H464-H468 PolarHBondContact NE2-NE2 3.34Å; H464-H468 VanDerWaalsContact NE2-NE2 3.16Å
465	R	61.6	Low	54.2	Low	128 Å²	128	100 Å²	100	48%	0.483	52%	0.518	S	S	.	.	H	α-helix	trans	-57.9	-35.3	173.8	-176.9	177	170.3	-164	-2.3	111.4	Y461 H468	Y461-R465 WeakPolarHBondContact O-CB 3.49Å; Y461-R465 PolarHBondContact O-N 2.98Å; R465-H468 PolarHBondContact O-N 2.92Å
466	R	64.1	Low	52.5	Low	154 Å²	154	105 Å²	105	58%	0.581	55%	0.553	S	S	*	*	H	α-helix	trans	-64.6	-35	172.9	-169.4	168.2	-68.1	155.1	0.8	113	L462 Y463 H464 H468 L469 D470	L462-R466 PolarHBondContact O-N 3.25Å; L462-R466 VanDerWaalsContact O-N 3.1Å; Y463-R466 WeakPolarHBondContact O-CB 3.32Å; Y463-R466 PolarHBondContact O-N 2.89Å; H464-R466 PolarHBondContact O-N 3.1Å; R466-H468 PolarHBondContact O-N 3.4Å; R466-H468 VanDerWaalsContact O-N 3.1Å; R466-L469 PolarHBondContact O-N 3.03Å; R466-D470 PolarHBondContact O-N 2.89Å
467	T	64.5	Low	51.4	Low	54 Å²	54	104 Å²	104	33%	0.331	56%	0.555	S	S	.	*	H	α-helix	trans	-65.3	-12.1	176.3	59.7	0	0	0	0	115.1	Y463 H464	Y463-T467 PolarHBondContact O-N 3.05Å; H464-T467 PolarHBondContact ND1-OG1 3.21Å; H464-T467 PolarHBondContact O-N 2.82Å; H464-T467 PolarHBondContact O-OG1 3.37Å
468	H	68.6	Low	49.9	Very low	41 Å²	41	108.3 Å²	108.3	19%	0.19	58%	0.584	C	S	.	*	H	α-helix	trans	-90.9	-28	168.4	-59	-65.6	0	0	0	112.8	C448 I450 H464 R465 R466 D470	C448-H468 VanDerWaalsContact SG-CD2 3.56Å; C448-H468 PolarHBondContact SG-NE2 2.93Å; I450-H468 HydrophobicContact CD1-CB 3.65Å; I450-H468 HydrophobicContact CG2-CB 4.34Å; H464-H468 AromaticContact CE1-CE1 3.74Å; H464-H468 AromaticContact CE1-NE2 3.21Å; H464-H468 PolarHBondContact CE1-NE2 2.93Å; H464-H468 AromaticContact NE2-NE2 3.16Å; H464-H468 PolarHBondContact NE2-NE2 3.34Å; H464-H468 VanDerWaalsContact NE2-NE2 3.16Å; R465-H468 PolarHBondContact O-N 2.92Å; R466-H468 PolarHBondContact O-N 3.4Å; R466-H468 VanDerWaalsContact O-N 3.1Å; H468-D470 VanDerWaalsContact C-N 3.32Å
469	L	52.7	Low	48.8	Very low	125 Å²	125	111 Å²	111	65%	0.654	60%	0.595	S	S	*	*	H	α-helix	trans	-76.5	-19.7	175.2	-74.1	159.4	0	0	0	112.8	R466 Q471	R466-L469 PolarHBondContact O-N 3.03Å; L469-Q471 VanDerWaalsContact C-N 3.3Å
470	D	42.4	Very low	47.3	Very low	120 Å²	120	114 Å²	114	64%	0.642	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.3	13.9	175.8	-60.3	-36.9	0	0	0	112.7	R466 H468	R466-D470 PolarHBondContact O-N 2.89Å; H468-D470 VanDerWaalsContact C-N 3.32Å
471	Q	44.3	Very low	45.7	Very low	144 Å²	144	115.7 Å²	115.7	67%	0.673	61%	0.613	S	S	*	*			trans	-127.4	54.4	-175.3	-69	-165.9	-1.1	0	0	114.2	L469 P473	L469-Q471 VanDerWaalsContact C-N 3.3Å; Q471-P473 VanDerWaalsContact O-CD 3.23Å; Q471-P473 WeakPolarHBondContact O-CD 3.46Å
472	E	29.2	Very low	43.8	Very low	170 Å²	170	120.5 Å²	120.5	79%	0.794	65%	0.646	S	S	*	*			trans	-103.4	98.8	170	-74.1	-67.4	148.4	0	0	111.1
473	P	35.6	Very low	42.2	Very low	114 Å²	114	120.6 Å²	120.6	74%	0.74	66%	0.659	S	S	*	*			trans	-81.9	134.3	162.3	33	-30.7	0	0	0	110.2	Q471	Q471-P473 VanDerWaalsContact O-CD 3.23Å; Q471-P473 WeakPolarHBondContact O-CD 3.46Å
474	S	31.8	Very low	40.4	Very low	123 Å²	123	118.1 Å²	118.1	86%	0.86	67%	0.666	S	S	*	*			trans	-63.5	130.5	-172.6	54	0	0	0	0	115
475	G	31.2	Very low	38.9	Very low	68 Å²	68	122.3 Å²	122.3	70%	0.701	70%	0.696	S	S	*	*			trans	76.6	89.3	136.8	0	0	0	0	0	118
476	T	27.6	Very low	37.7	Very low	149 Å²	149	122.3 Å²	122.3	91%	0.914	71%	0.713	S	S	*	*				-166.9	140.4	103	17.9	0	0	0	0	109.2
477	A	30.6	Very low	36.6	Very low	92 Å²	92	123.5 Å²	123.5	76%	0.76	73%	0.725	S	S	*	*			trans	-115.5	128.1	179.8	0	0	0	0	0	110.1
478	T	27.5	Very low	35.1	Very low	145 Å²	145	133.1 Å²	133.1	89%	0.89	76%	0.755	S	S	*	*			trans	-129.6	140.8	160.8	-36.4	0	0	0	0	107.2
479	H	32.2	Very low	33.3	Very low	149 Å²	149	135.7 Å²	135.7	69%	0.69	78%	0.783	S	S	*	*			trans	-81.7	159.9	-158.4	-77.6	-122.3	0	0	0	114.9
480	I	26.1	Very low	32.9	Very low	170 Å²	170	133.7 Å²	133.7	87%	0.872	78%	0.78	S	S	*	*				-153.5	155.1	115.7	-100.2	154.9	0	0	0	109.6
481	F	26	Very low	33	Very low	169 Å²	169	131.8 Å²	131.8	74%	0.741	78%	0.78	S	S	*	*			trans	-75.5	173.6	-175.5	-109.2	-121.7	0	0	0	112.2
482	V	27	Very low	33.2	Very low	134 Å²	134	129 Å²	129	81%	0.812	78%	0.777	S	S	*	*				-165.7	150.3	67.7	158.9	0	0	0	0	112.8
483	A	26.9	Very low	33.8	Very low	86 Å²	86	123.8 Å²	123.8	71%	0.711	76%	0.763	S	S	*	*			trans	71.4	145.1	160.6	0	0	0	0	0	120.9
484	S	28.4	Very low	34.3	Very low	119 Å²	119	123.3 Å²	123.3	83%	0.832	75%	0.754	S	S	*	*			trans	-112.2	156.6	171.1	-70.7	0	0	0	0	110.7
485	P	39.6	Very low	35.2	Very low	114 Å²	114	120.1 Å²	120.1	74%	0.74	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-100.2	158	-168.5	38.1	-35.9	0	0	0	114.9
486	P	36	Very low	36.1	Very low	129 Å²	129	123.1 Å²	123.1	84%	0.838	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-77.2	155.1	159.6	33.3	-33	0	0	0	111.8
487	Q	39.8	Very low	36.9	Very low	178 Å²	178	121.5 Å²	121.5	83%	0.832	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-102.9	164.1	-174.6	-56.2	177.1	2.1	0	0	113
488	R	33.2	Very low	37.6	Very low	257 Å²	257	123.2 Å²	123.2	97%	0.97	71%	0.711	S	S	*	*			trans	-153.7	117	137.4	-109.3	169.3	-162.4	175.6	6.5	111.9
489	A	32.1	Very low	38.4	Very low	94 Å²	94	126.9 Å²	126.9	78%	0.777	71%	0.708	S	S	*	*			trans	-144.1	150.1	164.9	0	0	0	0	0	108
490	S	44.1	Very low	38.8	Very low	84 Å²	84	123.6 Å²	123.6	59%	0.587	71%	0.707	S	S	*	*			trans	-79.3	139.6	-167.5	48.4	0	0	0	0	114.1	S492 A493	S490-S492 PolarHBondContact O-N 3.2Å; S490-S492 VanDerWaalsContact O-N 3.13Å; S490-A493 PolarHBondContact O-N 3.27Å
491	A	43.9	Very low	39.5	Very low	79 Å²	79	126 Å²	126	65%	0.653	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.7	-24.8	-170.5	0	0	0	0	0	115	A493 L494 A495	A491-A493 PolarHBondContact O-N 3.08Å; A491-L494 PolarHBondContact O-N 2.9Å; A491-L494 VanDerWaalsContact O-N 3.14Å; A491-A495 PolarHBondContact O-N 2.9Å
492	S	48.9	Very low	40.1	Very low	87 Å²	87	126.3 Å²	126.3	61%	0.608	71%	0.708	S	S	*	*	H	α-helix	trans	-63.5	-24.7	178.9	45.3	0	0	0	0	113.7	S490	S490-S492 PolarHBondContact O-N 3.2Å; S490-S492 VanDerWaalsContact O-N 3.13Å
493	A	41.5	Very low	40.7	Very low	59 Å²	59	129.3 Å²	129.3	49%	0.488	71%	0.711	S	S	.	*	H	α-helix	trans	-74.5	-28.8	175.1	0	0	0	0	0	113.3	S490 A491	S490-A493 PolarHBondContact O-N 3.27Å; A491-A493 PolarHBondContact O-N 3.08Å
494	L	47	Very low	41	Very low	105 Å²	105	135 Å²	135	55%	0.55	72%	0.719	S	S	.	*	H	α-helix	trans	-80.1	-40.6	-175.1	-67.2	171.5	0	0	0	112.2	A491 I496 L497 Q498	A491-L494 PolarHBondContact O-N 2.9Å; A491-L494 VanDerWaalsContact O-N 3.14Å; L494-I496 PolarHBondContact O-N 2.91Å; L494-L497 PolarHBondContact O-N 2.86Å; L494-L497 VanDerWaalsContact O-N 3.12Å; L494-Q498 PolarHBondContact O-N 3.29Å; L494-Q498 VanDerWaalsContact O-N 3.16Å
495	A	49.1	Very low	41	Very low	55 Å²	55	138 Å²	138	46%	0.455	72%	0.718	S	S	.	*	H	α-helix	trans	-60.5	-30.7	-178.3	0	0	0	0	0	113.9	A491	A491-A495 PolarHBondContact O-N 2.9Å
496	I	51.6	Low	40.9	Very low	131 Å²	131	138 Å²	138	67%	0.672	72%	0.717	S	S	*	*	H	α-helix	trans	-74.1	-36.1	178.8	-60.8	175.6	0	0	0	111	L494	L494-I496 PolarHBondContact O-N 2.91Å
497	L	43.6	Very low	40.7	Very low	116 Å²	116	138.4 Å²	138.4	61%	0.607	71%	0.708	S	S	*	*	H	α-helix	trans	-79.4	-27.9	-178.1	-69.4	172.9	0	0	0	113.3	L494 A500	L494-L497 PolarHBondContact O-N 2.86Å; L494-L497 VanDerWaalsContact O-N 3.12Å; L497-A500 PolarHBondContact O-N 2.87Å
498	Q	45.1	Very low	40.1	Very low	128 Å²	128	138 Å²	138	60%	0.598	71%	0.71	S	S	*	*	H	α-helix	trans	-66.7	-46.1	178.5	-74.9	170.5	-47.5	0	0	112	L494 A500 R501	L494-Q498 PolarHBondContact O-N 3.29Å; L494-Q498 VanDerWaalsContact O-N 3.16Å; Q498-A500 PolarHBondContact O-N 3.49Å; Q498-R501 PolarHBondContact O-N 2.84Å
499	R	44.2	Very low	39.8	Very low	221 Å²	221	131.5 Å²	131.5	83%	0.834	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.9	-16	176.9	-70.5	-177.4	176.7	167.8	0.6	114.7
500	A	41.5	Very low	39.6	Very low	80 Å²	80	136.3 Å²	136.3	66%	0.661	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.9	-12.4	178.4	0	0	0	0	0	114.1	L497 Q498	L497-A500 PolarHBondContact O-N 2.87Å; Q498-A500 PolarHBondContact O-N 3.49Å
501	R	39.7	Very low	38.8	Very low	222 Å²	222	137 Å²	137	84%	0.838	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.8	-21.1	-171.4	-79.8	-176.3	165.6	174.1	-4.5	115.8	Q498 K503	Q498-R501 PolarHBondContact O-N 2.84Å; R501-K503 PolarHBondContact O-N 2.87Å
502	E	38.4	Very low	38	Very low	174 Å²	174	137 Å²	137	81%	0.813	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.9	4.2	-171.2	-62.1	178.4	139.7	0	0	115.4
503	K	39.4	Very low	37.1	Very low	198 Å²	198	140.5 Å²	140.5	86%	0.861	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.3	6.9	-164.8	-121.6	174.9	-175.5	176.3	0	117.8	R501	R501-K503 PolarHBondContact O-N 2.87Å
504	K	34.8	Very low	36.3	Very low	204 Å²	204	144 Å²	144	89%	0.887	73%	0.732	S	S	*	*	S	Bend	trans	-141.7	111.4	167.8	-80.2	-165.4	172.8	-177.6	0	114.5
505	K	28.1	Very low	35.4	Very low	184 Å²	184	145.3 Å²	145.3	80%	0.8	74%	0.736	S	S	*	*			trans	-57.1	177.4	164.2	-108.3	-171.3	169.5	-167	0	113.9
506	P	37.6	Very low	34.4	Very low	113 Å²	113	150.8 Å²	150.8	73%	0.734	75%	0.752	S	S	*	*			cis	-133.9	-171.1	-2.3	31.1	-7.7	0	0	0	116.1
507	Q	30.2	Very low	33.2	Very low	138 Å²	138	149 Å²	149	65%	0.645	76%	0.757	S	S	*	*			trans	-72.2	157.2	179.7	-55.1	139.4	-99.9	0	0	115.4
508	I	27.3	Very low	33.3	Very low	170 Å²	170	149.1 Å²	149.1	87%	0.872	76%	0.764	S	S	*	*			trans	-140.1	150.6	133.3	-62.3	-171.7	0	0	0	106.3
509	D	26.8	Very low	32.3	Very low	120 Å²	120	150.3 Å²	150.3	64%	0.642	77%	0.774	S	S	*	*			trans	-102.6	167.6	-159.9	-49.5	-70.8	0	0	0	116.2
510	E	27.7	Very low	31.7	Very low	194 Å²	194	146 Å²	146	91%	0.907	77%	0.772	S	S	*	*			trans	13.6	145.7	152.8	-61	-174.6	141	0	0	121.7
511	A	27.7	Very low	31.5	Very low	98 Å²	98	151.1 Å²	151.1	81%	0.81	78%	0.783	S	S	*	*			cis	-146.2	-148.9	8.5	0	0	0	0	0	110.2
512	A	28.7	Very low	30.9	Very low	81 Å²	81	149.8 Å²	149.8	67%	0.669	79%	0.786	S	S	*	*			cis	-163.3	170.6	6.1	0	0	0	0	0	113.1
513	I	28.4	Very low	30.6	Very low	159 Å²	159	151.3 Å²	151.3	82%	0.815	79%	0.793	S	S	*	*			trans	28.2	111.8	135.3	-60.4	169.3	0	0	0	116.6
514	N	26.3	Very low	30.1	Very low	133 Å²	133	150.7 Å²	150.7	71%	0.711	80%	0.795	S	S	*	*			cis	71.5	133.9	39.6	-132.9	46.8	0	0	0	113.5
515	E	27.9	Very low	29.8	Very low	133 Å²	133	148.3 Å²	148.3	62%	0.621	79%	0.787	S	S	*	*			cis	-163.1	-177.7	6.8	-151.8	178.2	-107	0	0	110.7
516	Q	26.7	Very low	29.8	Very low	170 Å²	170	148.5 Å²	148.5	79%	0.794	79%	0.791	S	S	*	*			trans	79.8	163.3	157	-67.5	165.2	32.8	0	0	120.4
517	A	27	Very low	29.4	Very low	93 Å²	93	149 Å²	149	77%	0.769	79%	0.787	S	S	*	*			trans	-163.3	-158	-165.2	0	0	0	0	0	109
518	P	45.8	Very low	29.2	Very low	118 Å²	118	152.3 Å²	152.3	77%	0.766	79%	0.794	S	S	*	*				-110.3	-173.8	-59.8	39.7	-28.6	0	0	0	111.3
519	L	24.1	Very low	29.3	Very low	153 Å²	153	151.3 Å²	151.3	80%	0.801	79%	0.79	S	S	*	*			trans	-175.2	137.9	140.8	-105	170.9	0	0	0	114.8
520	T	31.9	Very low	30.3	Very low	130 Å²	130	149.6 Å²	149.6	80%	0.798	79%	0.785	S	S	*	*			trans	43.4	156.6	149.9	41.7	0	0	0	0	125.4
521	E	37.2	Very low	30.3	Very low	189 Å²	189	149.1 Å²	149.1	88%	0.883	78%	0.783	S	S	*	*			trans	-89.1	120.1	178.7	-52.1	165.7	124.5	0	0	111.1
522	E	26.7	Very low	30.1	Very low	194 Å²	194	149.1 Å²	149.1	91%	0.907	78%	0.777	S	S	*	*			trans	-159	40.2	168.6	-128	164.4	-134.8	0	0	114.4
523	E	32.6	Very low	29.9	Very low	205 Å²	205	153.9 Å²	153.9	96%	0.958	79%	0.785	S	S	*	*			trans	-110.4	43.6	170.1	-72.5	-161.3	131.4	0	0	113.1
524	M	28.6	Very low	29.8	Very low	185 Å²	185	151.7 Å²	151.7	91%	0.911	79%	0.785	S	S	*	*			trans	-81.9	120.7	149.3	-106	-167.9	-65.2	0	0	108.6
525	E	28.1	Very low	30.5	Very low	155 Å²	155	150.8 Å²	150.8	72%	0.724	79%	0.786	S	S	*	*				148.2	99.8	125.6	-173.2	149.5	-135.9	0	0	113.4
526	Q	29.4	Very low	30.5	Very low	187 Å²	187	155.5 Å²	155.5	87%	0.874	80%	0.798	S	S	*	*			trans	-156.5	91.6	147.9	-115.2	153.6	103.2	0	0	111.6
527	L	28.2	Very low	30.4	Very low	123 Å²	123	152.8 Å²	152.8	64%	0.644	79%	0.793	S	S	*	*				30.6	139	122.2	-59.4	170.2	0	0	0	118.4
528	R	26.2	Very low	30.5	Very low	209 Å²	209	155 Å²	155	79%	0.789	79%	0.791	S	S	*	*			cis	-179.5	122.9	1.9	160.3	-166.5	-81.5	-168.9	-4.7	110.5
529	N	29.1	Very low	29.5	Very low	149 Å²	149	156.1 Å²	156.1	80%	0.797	79%	0.791	S	S	*	*			trans	50.9	-174	139.2	-124.6	7.7	0	0	0	120.1
530	P	48.4	Very low	29.7	Very low	84 Å²	84	153.8 Å²	153.8	55%	0.545	79%	0.794	S	S	.	*			cis	-124.3	168.7	-47.4	26.1	-7	0	0	0	114.9
531	Q	27.7	Very low	29.4	Very low	183 Å²	183	156.9 Å²	156.9	86%	0.855	80%	0.799	S	S	*	*			trans	66.3	155.8	146.8	-79	169.7	-20.9	0	0	119.3
532	S	24	Very low	28.7	Very low	98 Å²	98	157.4 Å²	157.4	69%	0.685	80%	0.801	S	S	*	*			cis	-164.6	174.8	-6.3	40	0	0	0	0	113.1
533	E	23.7	Very low	28.8	Very low	181 Å²	181	152.6 Å²	152.6	85%	0.846	80%	0.795	S	S	*	*			trans	91.6	156.2	155.1	-50.5	-150.5	139.6	0	0	122
534	S	25.7	Very low	28.4	Very low	114 Å²	114	149 Å²	149	80%	0.797	79%	0.787	S	S	*	*			trans	-166	150.3	176.8	-60.9	0	0	0	0	107.4
535	P	41.4	Very low	28.2	Very low	113 Å²	113	147.5 Å²	147.5	73%	0.734	78%	0.778	S	S	*	*				-157.9	157.6	117	38.1	-19.3	0	0	0	118.2
536	R	27.6	Very low	28.1	Very low	233 Å²	233	147.1 Å²	147.1	88%	0.879	77%	0.774	S	S	*	*				34.4	156	127	-54.4	-177.1	-177.7	177.9	0.7	122.2
537	T	24.6	Very low	28	Very low	113 Å²	113	146 Å²	146	69%	0.693	77%	0.766	S	S	*	*			cis	-176.3	166.8	-21.3	36.1	0	0	0	0	109.1
538	L	28.9	Very low	27.9	Very low	139 Å²	139	144.9 Å²	144.9	73%	0.728	76%	0.761	S	S	*	*			trans	99.5	119.5	154	-54.9	-170.6	0	0	0	121.3
539	D	25.3	Very low	27.8	Very low	142 Å²	142	141.5 Å²	141.5	76%	0.759	76%	0.758	S	S	*	*				73.5	145.7	120.6	-54	-10	0	0	0	126.9
540	A	28	Very low	27.7	Very low	104 Å²	104	141.4 Å²	141.4	86%	0.86	76%	0.763	S	S	*	*			trans	96.9	154.4	144.1	0	0	0	0	0	121.5
541	E	26.1	Very low	26.5	Very low	194 Å²	194	145.7 Å²	145.7	91%	0.907	78%	0.776	S	S	*	*			trans	-117	156.8	-170.2	-48.8	171	115.1	0	0	110.9
542	E	22.5	Very low	26.4	Very low	201 Å²	201	144 Å²	144	94%	0.939	77%	0.77	S	S	*	*			trans	-161.6	165	137.8	-127.3	-179.7	170.5	0	0	112
543	A	29.1	Very low	26.3	Very low	93 Å²	93	147.2 Å²	147.2	77%	0.769	77%	0.774	S	S	*	*			trans	-152.1	141.6	-174.4	0	0	0	0	0	113.7
544	T	23.6	Very low	26.3	Very low	130 Å²	130	143.1 Å²	143.1	80%	0.798	77%	0.771	S	S	*	*			trans	-147.1	125.8	172.5	53.3	0	0	0	0	113.1
545	E	24.1	Very low	26.3	Very low	153 Å²	153	141.9 Å²	141.9	72%	0.715	77%	0.768	S	S	*	*				46.8	148.9	123.5	-48	-148.3	151	0	0	121.7
546	K	27.5	Very low	25.5	Very low	146 Å²	146	144.6 Å²	144.6	64%	0.635	77%	0.77	S	S	*	*			cis	-174.5	151.6	-10.8	-108.3	175	-167.1	147.6	0	108.5
547	K	26	Very low	25.3	Very low	163 Å²	163	140.8 Å²	140.8	71%	0.709	76%	0.762	S	S	*	*			trans	63.2	157.9	145.7	-71.2	-171.1	141.8	-73.9	0	118.7
548	D	25.7	Very low	25.3	Very low	101 Å²	101	142.7 Å²	142.7	54%	0.54	76%	0.763	S	S	.	*			cis	-152.1	154.4	-5.7	-104.5	-16.7	0	0	0	112.9
549	D	25.3	Very low	25.1	Very low	137 Å²	137	143 Å²	143	73%	0.733	76%	0.761	S	S	*	*			trans	42.5	134.3	145.3	-54.1	-36.1	0	0	0	125.3
550	V	26.6	Very low	25.1	Very low	148 Å²	148	145.1 Å²	145.1	90%	0.897	77%	0.766	S	S	*	*				-170	150.3	113.8	145.5	0	0	0	0	112.1
551	E	24	Very low	24.9	Very low	174 Å²	174	145 Å²	145	81%	0.813	76%	0.755	S	S	*	*			trans	-74.8	-179.3	-177.5	-70.6	172.3	132.3	0	0	115.3
552	M	24.2	Very low	25	Very low	148 Å²	148	143.9 Å²	143.9	73%	0.729	75%	0.751	S	S	*	*			cis	-170.8	-178	-33.1	-172.4	173.8	75.9	0	0	107.4
553	E	22.5	Very low	25.2	Very low	164 Å²	164	139.9 Å²	139.9	77%	0.766	74%	0.741	S	S	*	*			trans	82.3	128.4	168.8	-52	-138.7	139.7	0	0	115.8
554	A	24.1	Very low	25.1	Very low	95 Å²	95	143.8 Å²	143.8	79%	0.785	74%	0.741	S	S	*	*			cis	85.4	143.7	49.1	0	0	0	0	0	113.3
555	A	24.7	Very low	25.2	Very low	89 Å²	89	143.1 Å²	143.1	74%	0.736	73%	0.732	S	S	*	*			cis	-163.4	169.2	-19.4	0	0	0	0	0	111.2
556	H	25.1	Very low	25.4	Very low	169 Å²	169	142.6 Å²	142.6	78%	0.782	74%	0.739	S	S	*	*			trans	71.4	141	154.2	-105.7	-115.2	0	0	0	124.2
557	E	23.1	Very low	25.4	Very low	153 Å²	153	139.4 Å²	139.4	72%	0.715	74%	0.74	S	S	*	*			trans	81	114.3	141.9	-96	169.9	126.8	0	0	128.4
558	H	25	Very low	25.5	Very low	153 Å²	153	139.5 Å²	139.5	71%	0.708	75%	0.746	S	S	*	*			trans	37.5	111.5	130.9	-71.8	107.5	0	0	0	125.1
559	Q	24.6	Very low	25.6	Very low	147 Å²	147	140.1 Å²	140.1	69%	0.687	76%	0.758	S	S	*	*				66	109.3	110.5	-170.5	179.5	-1.6	0	0	122.8
560	Q	24.8	Very low	25.5	Very low	185 Å²	185	137.2 Å²	137.2	86%	0.864	76%	0.761	S	S	*	*			trans	-175.2	150.6	131.6	-99.1	149.7	91.3	0	0	109
561	V	25	Very low	25.5	Very low	102 Å²	102	136 Å²	136	62%	0.618	76%	0.759	S	S	*	*			cis	107	110.1	7.9	177.2	0	0	0	0	115.3
562	M	27.1	Very low	25.7	Very low	170 Å²	170	133.8 Å²	133.8	84%	0.837	76%	0.757	S	S	*	*			trans	68.5	161.1	178.1	-52.2	-55.6	175.9	0	0	115
563	T	26.1	Very low	25.7	Very low	118 Å²	118	134.5 Å²	134.5	72%	0.724	76%	0.764	S	S	*	*			cis	-153.2	149.2	28.4	43.8	0	0	0	0	115.1
564	K	28.9	Very low	25.9	Very low	175 Å²	175	136 Å²	136	76%	0.761	77%	0.771	S	S	*	*			trans	59.7	162.1	133.6	-65	-170.4	155.3	-146.3	0	122
565	D	25.3	Very low	26	Very low	116 Å²	116	136.1 Å²	136.1	62%	0.62	77%	0.772	S	S	*	*			cis	-167.3	177.6	-22.9	-94	-18.7	0	0	0	108.8
566	V	27.6	Very low	26.1	Very low	142 Å²	142	136.4 Å²	136.4	86%	0.861	78%	0.775	S	S	*	*			trans	80.2	155	159.4	-160.5	0	0	0	0	118.3
567	A	27.4	Very low	26.3	Very low	79 Å²	79	134.7 Å²	134.7	65%	0.653	78%	0.782	S	S	*	*				-176.5	171.5	-75.5	0	0	0	0	0	112
568	I	28.9	Very low	26.5	Very low	165 Å²	165	131 Å²	131	85%	0.846	78%	0.784	S	S	*	*			trans	73.3	145.2	165.3	-57.6	171.9	0	0	0	114.4
569	S	26.8	Very low	26.7	Very low	113 Å²	113	131.7 Å²	131.7	79%	0.79	79%	0.793	S	S	*	*			cis	-153.4	-179.3	-10.9	46.6	0	0	0	0	108.7
570	G	24.6	Very low	26.8	Very low	76 Å²	76	128.9 Å²	128.9	78%	0.784	80%	0.795	S	S	*	*			cis	132.3	88	-14.3	0	0	0	0	0	116.4
571	S	25	Very low	27	Very low	124 Å²	124	124.6 Å²	124.6	87%	0.867	79%	0.792	S	S	*	*			trans	-153	178.1	167.2	60.3	0	0	0	0	112.3
572	V	29.5	Very low	27.3	Very low	127 Å²	127	125.2 Å²	125.2	77%	0.77	80%	0.8	S	S	*	*			trans	-136.7	161.5	-163	-72.5	0	0	0	0	114
573	D	23.2	Very low	27.5	Very low	163 Å²	163	122.4 Å²	122.4	87%	0.872	80%	0.797	S	S	*	*				-176.8	170.3	127.4	-90	-18.1	0	0	0	112.5
574	E	27.8	Very low	27.9	Very low	194 Å²	194	122.6 Å²	122.6	91%	0.907	80%	0.804	S	S	*	*			trans	-103.4	156.8	-167.2	-56.8	-174.9	105.4	0	0	115.6
575	A	25.5	Very low	28.2	Very low	98 Å²	98	119.6 Å²	119.6	81%	0.81	81%	0.805	S	S	*	*			trans	-171.2	129.1	137.2	0	0	0	0	0	115.8
576	A	27.8	Very low	29	Very low	96 Å²	96	122.6 Å²	122.6	79%	0.793	81%	0.812	S	S	*	*			trans	39.6	106.7	142.6	0	0	0	0	0	123.9
577	S	28.8	Very low	30.1	Very low	133 Å²	133	118.2 Å²	118.2	93%	0.93	80%	0.796	S	S	*	*				52.5	123.5	118.2	-153.5	0	0	0	0	122.8
578	G	26.9	Very low	32.1	Very low	74 Å²	74	119.1 Å²	119.1	76%	0.763	80%	0.795	S	S	*	*			trans	-171.8	142.5	165.5	0	0	0	0	0	112.4
579	N	28.6	Very low	34.3	Very low	169 Å²	169	113.5 Å²	113.5	90%	0.904	77%	0.765	S	S	*	*			trans	-94.4	136	-164.2	-98.3	-30.6	0	0	0	116.5
580	A	27.5	Very low	36.6	Very low	87 Å²	87	111.1 Å²	111.1	72%	0.719	75%	0.748	S	S	*	*			trans	36.7	119.7	141.7	0	0	0	0	0	122.5
581	A	29.6	Very low	39.2	Very low	96 Å²	96	107.9 Å²	107.9	79%	0.793	71%	0.713	S	S	*	*				57	142.8	129.3	0	0	0	0	0	121.7
582	S	31.2	Very low	41.5	Very low	115 Å²	115	113 Å²	113	80%	0.804	71%	0.714	S	S	*	*			cis	-175.9	140.6	-11.9	52.3	0	0	0	0	111
583	S	31	Very low	43.4	Very low	111 Å²	111	110.8 Å²	110.8	78%	0.776	70%	0.704	S	S	*	*			trans	-164.2	150.8	153.9	61.4	0	0	0	0	111.6
584	S	34.4	Very low	45.7	Very low	122 Å²	122	105 Å²	105	85%	0.853	68%	0.676	S	S	*	*			trans	50.4	137.7	164.4	-65	0	0	0	0	119.9
585	S	34.5	Very low	47.8	Very low	112 Å²	112	102 Å²	102	78%	0.783	68%	0.676	S	S	*	*			cis	-146.1	160.9	-4.8	62.8	0	0	0	0	109.2
586	K	42.3	Very low	50.1	Low	178 Å²	178	103.6 Å²	103.6	77%	0.774	66%	0.664	S	S	*	*			trans	-126.6	101.5	175.6	-71.7	-174.7	179.6	177.5	0	110.1	F589	K586-F589 HydrophobicContact CB-CZ 4.2Å; K586-F589 HydrophobicContact CD-CZ 4.27Å
587	G	50.5	Low	52.4	Low	51 Å²	51	103.4 Å²	103.4	53%	0.526	65%	0.654	S	S	.	*			trans	-68.8	175.5	178	0	0	0	0	0	114.1	F589	G587-F589 PolarHBondContact O-N 2.93Å
588	P	69.8	Low	55.1	Low	98 Å²	98	98.9 Å²	98.9	64%	0.636	62%	0.617	S	S	*	*			trans	-58.1	128.5	-172.9	-25.8	35.4	0	0	0	113.7	S590 T597	P588-S590 PolarHBondContact O-N 3.18Å; P588-S590 VanDerWaalsContact O-N 3.07Å; P588-T597 HydrophobicContact CB-CG2 4Å
589	F	74.7	Confident	57	Low	46 Å²	46	100.8 Å²	100.8	20%	0.202	62%	0.616	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-77.3	96.6	-175	-66.8	-87.3	0	0	0	111	K586 G587 F598 S600 Q601 L604	K586-F589 HydrophobicContact CB-CZ 4.2Å; K586-F589 HydrophobicContact CD-CZ 4.27Å; G587-F589 PolarHBondContact O-N 2.93Å; F589-F598 WeakPolarHBondContact CB-O 3.45Å; F589-F598 PolarHBondContact N-O 3.16Å; F589-F598 PolarHBondContact O-N 3.23Å; F589-S600 VanDerWaalsContact CD2-C 3.43Å; F589-Q601 HydrophobicContact CD1-CB 3.73Å; F589-Q601 HydrophobicContact CD1-CG 4.03Å; F589-Q601 HydrophobicContact CD2-CB 4.47Å; F589-Q601 VanDerWaalsContact CD2-N 3.31Å; F589-Q601 HydrophobicContact CE1-CB 3.63Å; F589-Q601 HydrophobicContact CE1-CG 4.05Å; F589-Q601 HydrophobicContact CE2-CB 4.37Å; F589-Q601 HydrophobicContact CG-CB 4.16Å; F589-Q601 HydrophobicContact CZ-CB 3.95Å; F589-L604 HydrophobicContact CB-CB 4.02Å; F589-L604 HydrophobicContact CB-CD2 3.72Å; F589-L604 HydrophobicContact CB-CG 4.44Å
590	S	76.1	Confident	59.4	Low	63 Å²	63	94.5 Å²	94.5	44%	0.441	59%	0.586	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-76.2	146	179.8	60.5	0	0	0	0	113.8	P588 L604 R608	P588-S590 PolarHBondContact O-N 3.18Å; P588-S590 VanDerWaalsContact O-N 3.07Å; S590-L604 WeakPolarHBondContact O-CD2 3.36Å; S590-R608 PolarHBondContact O-NH2 2.66Å
591	C	78.6	Confident	61.6	Low	8 Å²	8	96.3 Å²	96.3	5%	0.054	58%	0.579	C	S	.	*			trans	-80.8	135.8	164.4	-168.3	0	0	0	0	110.3	S593 C594 K596 F598 L604 H607 H612	C591-S593 VanDerWaalsContact C-N 3.27Å; C591-C594 CarbonylContact C-O 3.28Å; C591-C594 VanDerWaalsContact CB-O 3.3Å; C591-C594 WeakPolarHBondContact CB-O 3.33Å; C591-K596 PolarHBondContact N-O 3.39Å; C591-F598 HydrophobicContact CB-CE2 4.49Å; C591-L604 HydrophobicContact CB-CD1 3.76Å; C591-H607 WeakPolarHBondContact CB-NE2 3.43Å; C591-H607 PolarHBondContact SG-NE2 2.93Å; C591-H612 PolarHBondContact SG-CD2 2.83Å
592	R	72.9	Confident	63.7	Low	232 Å²	232	98.4 Å²	98.4	88%	0.875	58%	0.576	S	S	*	*	S	Bend	trans	-85	-0.7	175.2	-68.5	-175	178.7	172.5	-2.7	112.9
593	S	69.9	Low	65.8	Low	80 Å²	80	97 Å²	97	56%	0.559	56%	0.559	S	S	*	*	S	Bend	trans	-120.8	-6.5	-174.7	-51.2	0	0	0	0	113.6	C591 H612	C591-S593 VanDerWaalsContact C-N 3.27Å; S593-H612 VanDerWaalsContact C-CE1 3.42Å; S593-H612 VanDerWaalsContact CB-ND1 3.35Å; S593-H612 WeakPolarHBondContact CB-ND1 3.27Å; S593-H612 PolarHBondContact O-CE1 2.85Å
594	C	72.2	Confident	68.1	Low	43 Å²	43	92.2 Å²	92.2	29%	0.291	53%	0.525	S	S	.	.	S	Bend	trans	-158.5	155.2	155.5	69.2	0	0	0	0	108.1	C591 K596 H607 H612	C591-C594 CarbonylContact C-O 3.28Å; C591-C594 VanDerWaalsContact CB-O 3.3Å; C591-C594 WeakPolarHBondContact CB-O 3.33Å; C594-K596 PolarHBondContact O-N 3.14Å; C594-H607 VanDerWaalsContact SG-CE1 3.54Å; C594-H607 PolarHBondContact SG-NE2 2.89Å; C594-H607 VanDerWaalsContact SG-NE2 3.45Å; C594-H612 PolarHBondContact SG-NE2 3.3Å
595	S	70.4	Confident	70	Confident	129 Å²	129	89 Å²	89	90%	0.902	51%	0.506	S	S	*	.	S	Bend	trans	-72.5	30.7	-168	-39.5	0	0	0	0	115.9
596	K	74.7	Confident	71.9	Confident	132 Å²	132	88.6 Å²	88.6	57%	0.574	49%	0.492	S	S	*	.			trans	-93.8	126.5	-177.4	-62.7	-167.9	178.4	-162.4	0	111.7	C591 C594 F598	C591-K596 PolarHBondContact N-O 3.39Å; C594-K596 PolarHBondContact O-N 3.14Å; K596-F598 HydrophobicContact CB-CE2 3.66Å; K596-F598 HydrophobicContact CB-CZ 3.83Å; K596-F598 WeakPolarHBondContact O-CE2 3.29Å
597	T	76.3	Confident	73.5	Confident	92 Å²	92	81.1 Å²	81.1	56%	0.564	46%	0.459	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91	148.9	171.8	40	0	0	0	0	111.2	P588	P588-T597 HydrophobicContact CB-CG2 4Å
598	F	84.3	Confident	74.6	Confident	38 Å²	38	82.8 Å²	82.8	17%	0.167	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	142.6	179.6	-63.1	-88.1	0	0	0	110.5	F589 C591 K596 S600 L603 L604 H607	F589-F598 WeakPolarHBondContact CB-O 3.45Å; F589-F598 PolarHBondContact N-O 3.16Å; F589-F598 PolarHBondContact O-N 3.23Å; C591-F598 HydrophobicContact CB-CE2 4.49Å; K596-F598 HydrophobicContact CB-CE2 3.66Å; K596-F598 HydrophobicContact CB-CZ 3.83Å; K596-F598 WeakPolarHBondContact O-CE2 3.29Å; F598-S600 PolarHBondContact O-N 3.14Å; F598-L603 HydrophobicContact CB-CB 4.12Å; F598-L603 HydrophobicContact CD1-CB 4.12Å; F598-L603 HydrophobicContact CD1-CD2 4.49Å; F598-L603 HydrophobicContact CG-CB 4.44Å; F598-L604 HydrophobicContact CB-CB 4.22Å; F598-L604 HydrophobicContact CD2-CB 4.27Å; F598-L604 HydrophobicContact CD2-CD1 3.79Å; F598-L604 HydrophobicContact CE2-CD1 4.23Å; F598-L604 HydrophobicContact CG-CB 4.43Å; F598-H607 HydrophobicContact CE1-CB 3.84Å; F598-H607 HydrophobicContact CE2-CB 3.91Å; F598-H607 AromaticContact CE2-CD2 3.19Å; F598-H607 WeakPolarHBondContact CE2-CD2 3.39Å; F598-H607 AromaticContact CE2-CG 3.53Å; F598-H607 AromaticContact CE2-NE2 3.87Å; F598-H607 HydrophobicContact CZ-CB 3.49Å; F598-H607 VanDerWaalsContact CZ-CB 3.49Å; F598-H607 AromaticContact CZ-CD2 3.42Å; F598-H607 VanDerWaalsContact CZ-CD2 3.42Å; F598-H607 WeakPolarHBondContact CZ-CD2 3.43Å; F598-H607 AromaticContact CZ-CG 3.23Å; F598-H607 AromaticContact CZ-ND1 3.79Å
599	P	67	Low	74.3	Confident	114 Å²	114	80.3 Å²	80.3	74%	0.74	44%	0.435	S	S	*	.	S	Bend	trans	-72	-11.5	-177.8	28.9	-35.7	0	0	0	113.6
600	S	78.8	Confident	73.7	Confident	38 Å²	38	85.2 Å²	85.2	27%	0.266	46%	0.456	S	S	.	.	S	Bend	trans	-141.8	149.7	174	80.1	0	0	0	0	112.9	F589 F598 L602 L603 L604	F589-S600 VanDerWaalsContact CD2-C 3.43Å; F598-S600 PolarHBondContact O-N 3.14Å; S600-L602 PolarHBondContact O-N 3.4Å; S600-L603 PolarHBondContact O-N 2.81Å; S600-L603 VanDerWaalsContact OG-CD1 3.32Å; S600-L603 WeakPolarHBondContact OG-CD1 3.43Å; S600-L603 PolarHBondContact OG-N 3.43Å; S600-L603 VanDerWaalsContact OG-N 3.1Å; S600-L604 PolarHBondContact O-N 2.83Å
601	Q	73.9	Confident	72.8	Confident	125 Å²	125	85.5 Å²	85.5	58%	0.584	46%	0.458	S	S	*	.	H	α-helix	trans	-60.4	-24.4	174.5	-163.1	166.1	-16.5	0	0	112.4	F589 A605	F589-Q601 HydrophobicContact CD1-CB 3.73Å; F589-Q601 HydrophobicContact CD1-CG 4.03Å; F589-Q601 HydrophobicContact CD2-CB 4.47Å; F589-Q601 VanDerWaalsContact CD2-N 3.31Å; F589-Q601 HydrophobicContact CE1-CB 3.63Å; F589-Q601 HydrophobicContact CE1-CG 4.05Å; F589-Q601 HydrophobicContact CE2-CB 4.37Å; F589-Q601 HydrophobicContact CG-CB 4.16Å; F589-Q601 HydrophobicContact CZ-CB 3.95Å; Q601-A605 VanDerWaalsContact O-CB 3.27Å; Q601-A605 WeakPolarHBondContact O-CB 3.22Å; Q601-A605 PolarHBondContact O-N 2.84Å
602	L	74.9	Confident	72.2	Confident	139 Å²	139	88.2 Å²	88.2	73%	0.728	47%	0.47	S	S	*	.	H	α-helix	trans	-77.9	-40.3	178.6	-155.5	155.7	0	0	0	111.4	S600 A605 H606	S600-L602 PolarHBondContact O-N 3.4Å; L602-A605 PolarHBondContact O-N 2.88Å; L602-H606 WeakPolarHBondContact O-CB 3.44Å; L602-H606 PolarHBondContact O-N 3.48Å
603	L	75.3	Confident	71.4	Confident	85 Å²	85	80.5 Å²	80.5	45%	0.445	45%	0.449	S	S	.	.	H	α-helix	trans	-64.3	-41.5	167.7	-94.4	85.7	0	0	0	111.5	F598 S600 A605 H606 H607	F598-L603 HydrophobicContact CB-CB 4.12Å; F598-L603 HydrophobicContact CD1-CB 4.12Å; F598-L603 HydrophobicContact CD1-CD2 4.49Å; F598-L603 HydrophobicContact CG-CB 4.44Å; S600-L603 PolarHBondContact O-N 2.81Å; S600-L603 VanDerWaalsContact OG-CD1 3.32Å; S600-L603 WeakPolarHBondContact OG-CD1 3.43Å; S600-L603 PolarHBondContact OG-N 3.43Å; S600-L603 VanDerWaalsContact OG-N 3.1Å; L603-A605 VanDerWaalsContact C-N 3.34Å; L603-A605 PolarHBondContact O-N 3.35Å; L603-H606 PolarHBondContact O-N 3.5Å; L603-H607 WeakPolarHBondContact O-CB 3.45Å; L603-H607 PolarHBondContact O-N 3.02Å
604	L	79.5	Confident	70.7	Confident	11 Å²	11	81.7 Å²	81.7	6%	0.058	45%	0.454	C	S	.	.	H	α-helix	trans	-59.9	-43.7	174.3	175	63.4	0	0	0	111.6	F589 S590 C591 F598 S600 H607 R608	F589-L604 HydrophobicContact CB-CB 4.02Å; F589-L604 HydrophobicContact CB-CD2 3.72Å; F589-L604 HydrophobicContact CB-CG 4.44Å; S590-L604 WeakPolarHBondContact O-CD2 3.36Å; C591-L604 HydrophobicContact CB-CD1 3.76Å; F598-L604 HydrophobicContact CB-CB 4.22Å; F598-L604 HydrophobicContact CD2-CB 4.27Å; F598-L604 HydrophobicContact CD2-CD1 3.79Å; F598-L604 HydrophobicContact CE2-CD1 4.23Å; F598-L604 HydrophobicContact CG-CB 4.43Å; S600-L604 PolarHBondContact O-N 2.83Å; L604-H607 PolarHBondContact O-N 3.26Å; L604-R608 HydrophobicContact CD1-CG 4.12Å; L604-R608 HydrophobicContact CG-CG 4.49Å; L604-R608 WeakPolarHBondContact O-CB 3.25Å; L604-R608 WeakPolarHBondContact O-CG 3.41Å; L604-R608 PolarHBondContact O-N 3.38Å
605	A	73.8	Confident	69.8	Low	56 Å²	56	85.1 Å²	85.1	46%	0.463	47%	0.466	S	S	.	.	H	α-helix	trans	-64.2	-42.9	177.5	0	0	0	0	0	111.8	Q601 L602 L603 R608 S609	Q601-A605 VanDerWaalsContact O-CB 3.27Å; Q601-A605 WeakPolarHBondContact O-CB 3.22Å; Q601-A605 PolarHBondContact O-N 2.84Å; L602-A605 PolarHBondContact O-N 2.88Å; L603-A605 VanDerWaalsContact C-N 3.34Å; L603-A605 PolarHBondContact O-N 3.35Å; A605-R608 PolarHBondContact O-N 3.14Å; A605-S609 WeakPolarHBondContact O-CB 3.42Å; A605-S609 PolarHBondContact O-N 3.07Å; A605-S609 PolarHBondContact O-OG 3.03Å
606	H	72.9	Confident	69	Low	103 Å²	103	90 Å²	90	48%	0.477	47%	0.465	S	S	.	.	H	α-helix	trans	-63.8	-41.6	173.5	171.4	-120.2	0	0	0	112.4	L602 L603 S609 K610	L602-H606 WeakPolarHBondContact O-CB 3.44Å; L602-H606 PolarHBondContact O-N 3.48Å; L603-H606 PolarHBondContact O-N 3.5Å; H606-S609 WeakPolarHBondContact CA-OG 3.38Å; H606-S609 PolarHBondContact O-N 2.64Å; H606-S609 PolarHBondContact O-OG 2.95Å; H606-S609 VanDerWaalsContact O-OG 3.04Å; H606-K610 WeakPolarHBondContact O-CB 3.43Å; H606-K610 PolarHBondContact O-N 3.31Å
607	H	77.6	Confident	68.3	Low	20 Å²	20	90.2 Å²	90.2	9%	0.093	46%	0.462	C	S	.	.	H	α-helix	trans	-62.5	-49.4	173.8	161	60.9	0	0	0	111.4	C591 C594 F598 L603 L604 S609 K610 S611 H612	C591-H607 WeakPolarHBondContact CB-NE2 3.43Å; C591-H607 PolarHBondContact SG-NE2 2.93Å; C594-H607 VanDerWaalsContact SG-CE1 3.54Å; C594-H607 PolarHBondContact SG-NE2 2.89Å; C594-H607 VanDerWaalsContact SG-NE2 3.45Å; F598-H607 HydrophobicContact CE1-CB 3.84Å; F598-H607 HydrophobicContact CE2-CB 3.91Å; F598-H607 AromaticContact CE2-CD2 3.19Å; F598-H607 WeakPolarHBondContact CE2-CD2 3.39Å; F598-H607 AromaticContact CE2-CG 3.53Å; F598-H607 AromaticContact CE2-NE2 3.87Å; F598-H607 HydrophobicContact CZ-CB 3.49Å; F598-H607 VanDerWaalsContact CZ-CB 3.49Å; F598-H607 AromaticContact CZ-CD2 3.42Å; F598-H607 VanDerWaalsContact CZ-CD2 3.42Å; F598-H607 WeakPolarHBondContact CZ-CD2 3.43Å; F598-H607 AromaticContact CZ-CG 3.23Å; F598-H607 AromaticContact CZ-ND1 3.79Å; L603-H607 WeakPolarHBondContact O-CB 3.45Å; L603-H607 PolarHBondContact O-N 3.02Å; L604-H607 PolarHBondContact O-N 3.26Å; H607-S609 VanDerWaalsContact C-N 3.31Å; H607-S609 PolarHBondContact O-N 3.05Å; H607-K610 PolarHBondContact O-N 3.47Å; H607-K610 VanDerWaalsContact O-N 3.16Å; H607-S611 PolarHBondContact CE1-OG 3.03Å; H607-S611 PolarHBondContact ND1-OG 2.89Å; H607-S611 VanDerWaalsContact ND1-OG 3.09Å; H607-S611 WeakPolarHBondContact O-CB 3.3Å; H607-S611 PolarHBondContact O-N 2.85Å; H607-S611 PolarHBondContact O-OG 3.29Å; H607-H612 AromaticContact CE1-CD2 3.73Å; H607-H612 AromaticContact CE1-NE2 3.42Å; H607-H612 PolarHBondContact CE1-NE2 3.2Å; H607-H612 AromaticContact NE2-CD2 3.5Å; H607-H612 PolarHBondContact NE2-CD2 3.17Å; H607-H612 AromaticContact NE2-NE2 3.31Å; H607-H612 PolarHBondContact NE2-NE2 2.79Å
608	R	72.3	Confident	68	Low	87 Å²	87	89.9 Å²	89.9	33%	0.328	45%	0.453	S	S	.	.	H	α-helix	trans	-58.5	-43.2	176	-72.7	179.3	-174.9	-170	5.7	111.1	S590 L604 A605 K610 H612 T613	S590-R608 PolarHBondContact O-NH2 2.66Å; L604-R608 HydrophobicContact CD1-CG 4.12Å; L604-R608 HydrophobicContact CG-CG 4.49Å; L604-R608 WeakPolarHBondContact O-CB 3.25Å; L604-R608 WeakPolarHBondContact O-CG 3.41Å; L604-R608 PolarHBondContact O-N 3.38Å; A605-R608 PolarHBondContact O-N 3.14Å; R608-K610 VanDerWaalsContact C-N 3.3Å; R608-K610 PolarHBondContact O-N 2.79Å; R608-H612 CarbonylContact O-C 3.41Å; R608-H612 WeakPolarHBondContact O-CA 3.48Å; R608-H612 PolarHBondContact O-N 3.27Å; R608-T613 PolarHBondContact O-N 3.27Å
609	S	63.4	Low	67.2	Low	46 Å²	46	91.9 Å²	91.9	32%	0.322	47%	0.468	S	S	.	.	H	α-helix	trans	-70.4	-20.8	179.3	76.5	0	0	0	0	114.5	A605 H606 H607 T613 Q615	A605-S609 WeakPolarHBondContact O-CB 3.42Å; A605-S609 PolarHBondContact O-N 3.07Å; A605-S609 PolarHBondContact O-OG 3.03Å; H606-S609 WeakPolarHBondContact CA-OG 3.38Å; H606-S609 PolarHBondContact O-N 2.64Å; H606-S609 PolarHBondContact O-OG 2.95Å; H606-S609 VanDerWaalsContact O-OG 3.04Å; H607-S609 VanDerWaalsContact C-N 3.31Å; H607-S609 PolarHBondContact O-N 3.05Å; S609-T613 VanDerWaalsContact CA-OG1 3.28Å; S609-T613 WeakPolarHBondContact CA-OG1 3.26Å; S609-T613 PolarHBondContact O-OG1 3.28Å; S609-Q615 WeakPolarHBondContact O-CG 3.48Å; S609-Q615 PolarHBondContact O-NE2 3.08Å
610	K	61.8	Low	67.7	Low	148 Å²	148	86.6 Å²	86.6	64%	0.643	43%	0.434	S	S	*	.	H	α-helix	trans	-100.6	-24.4	-179.8	-170.5	172.9	-178.6	177.7	0	113.8	H606 H607 R608	H606-K610 WeakPolarHBondContact O-CB 3.43Å; H606-K610 PolarHBondContact O-N 3.31Å; H607-K610 PolarHBondContact O-N 3.47Å; H607-K610 VanDerWaalsContact O-N 3.16Å; R608-K610 VanDerWaalsContact C-N 3.3Å; R608-K610 PolarHBondContact O-N 2.79Å
611	S	58.9	Low	67.4	Low	70 Å²	70	88.4 Å²	88.4	49%	0.49	46%	0.459	S	S	.	.	H	α-helix	trans	-116.4	-28.3	-171.2	-55.5	0	0	0	0	114.5	H607	H607-S611 PolarHBondContact CE1-OG 3.03Å; H607-S611 PolarHBondContact ND1-OG 2.89Å; H607-S611 VanDerWaalsContact ND1-OG 3.09Å; H607-S611 WeakPolarHBondContact O-CB 3.3Å; H607-S611 PolarHBondContact O-N 2.85Å; H607-S611 PolarHBondContact O-OG 3.29Å
612	H	64.8	Low	67.3	Low	65 Å²	65	87.1 Å²	87.1	30%	0.301	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.8	-30.5	-168.7	-63.4	-64.7	0	0	0	114.9	C591 S593 C594 H607 R608 P614	C591-H612 PolarHBondContact SG-CD2 2.83Å; S593-H612 VanDerWaalsContact C-CE1 3.42Å; S593-H612 VanDerWaalsContact CB-ND1 3.35Å; S593-H612 WeakPolarHBondContact CB-ND1 3.27Å; S593-H612 PolarHBondContact O-CE1 2.85Å; C594-H612 PolarHBondContact SG-NE2 3.3Å; H607-H612 AromaticContact CE1-CD2 3.73Å; H607-H612 AromaticContact CE1-NE2 3.42Å; H607-H612 PolarHBondContact CE1-NE2 3.2Å; H607-H612 AromaticContact NE2-CD2 3.5Å; H607-H612 PolarHBondContact NE2-CD2 3.17Å; H607-H612 AromaticContact NE2-NE2 3.31Å; H607-H612 PolarHBondContact NE2-NE2 2.79Å; R608-H612 CarbonylContact O-C 3.41Å; R608-H612 WeakPolarHBondContact O-CA 3.48Å; R608-H612 PolarHBondContact O-N 3.27Å; H612-P614 WeakPolarHBondContact O-CD 3.38Å
613	T	56.1	Low	67.2	Low	70 Å²	70	82.9 Å²	82.9	43%	0.429	44%	0.44	S	S	.	.	S	Bend	trans	-71.5	129.1	169	61.4	0	0	0	0	109.7	R608 S609 Q615	R608-T613 PolarHBondContact O-N 3.27Å; S609-T613 VanDerWaalsContact CA-OG1 3.28Å; S609-T613 WeakPolarHBondContact CA-OG1 3.26Å; S609-T613 PolarHBondContact O-OG1 3.28Å; T613-Q615 PolarHBondContact O-N 2.98Å
614	P	56.4	Low	67	Low	104 Å²	104	80.6 Å²	80.6	68%	0.675	44%	0.437	S	S	*	.			trans	-70.3	81.4	163.2	30.4	-33	0	0	0	108.8	H612 R616	H612-P614 WeakPolarHBondContact O-CD 3.38Å; P614-R616 PolarHBondContact O-N 3.25Å; P614-R616 VanDerWaalsContact O-N 3.16Å
615	Q	53.3	Low	66.7	Low	115 Å²	115	85.6 Å²	85.6	54%	0.537	46%	0.459	S	S	.	.			trans	-48.1	123.1	171.9	-66.8	-175.2	-18.6	0	0	108.5	S609 T613 R617	S609-Q615 WeakPolarHBondContact O-CG 3.48Å; S609-Q615 PolarHBondContact O-NE2 3.08Å; T613-Q615 PolarHBondContact O-N 2.98Å; Q615-R617 WeakPolarHBondContact O-CG 3.15Å; Q615-R617 PolarHBondContact O-N 3.23Å
616	R	53.8	Low	66.6	Low	232 Å²	232	88.8 Å²	88.8	88%	0.875	46%	0.462	S	S	*	.			trans	-39.6	102	-169.9	-73	-176.2	174.3	-170.2	-3.6	110.9	P614	P614-R616 PolarHBondContact O-N 3.25Å; P614-R616 VanDerWaalsContact O-N 3.16Å
617	R	59.8	Low	66.8	Low	136 Å²	136	85.9 Å²	85.9	51%	0.513	45%	0.448	S	S	.	.			trans	-75.9	127.5	-172	-72.3	157.9	164.9	-154	3.2	107.9	Q615 V619 F626	Q615-R617 WeakPolarHBondContact O-CG 3.15Å; Q615-R617 PolarHBondContact O-N 3.23Å; R617-V619 WeakPolarHBondContact O-CG2 3.36Å; R617-V619 PolarHBondContact O-N 3.02Å; R617-V619 VanDerWaalsContact O-N 3.11Å; R617-F626 HydrophobicContact CB-CB 3.89Å; R617-F626 HydrophobicContact CB-CD1 3.56Å; R617-F626 HydrophobicContact CB-CE1 4.49Å; R617-F626 HydrophobicContact CB-CG 4.11Å; R617-F626 HydrophobicContact CG-CB 4.04Å; R617-F626 HydrophobicContact CG-CD1 4.22Å; R617-F626 HydrophobicContact CG-CG 4.39Å
618	F	68.7	Low	66.6	Low	85 Å²	85	94.1 Å²	94.1	37%	0.373	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	112.9	170.5	-65.3	-90.1	0	0	0	107.4	F627 K629 Q630 A633	F618-F627 HydrophobicContact CB-CB 4.4Å; F618-F627 PolarHBondContact N-O 3.02Å; F618-F627 PolarHBondContact O-N 2.87Å; F618-K629 VanDerWaalsContact CD2-C 3.41Å; F618-Q630 HydrophobicContact CD1-CB 3.75Å; F618-Q630 HydrophobicContact CD1-CG 3.91Å; F618-Q630 HydrophobicContact CD2-CB 4.46Å; F618-Q630 VanDerWaalsContact CD2-N 3.32Å; F618-Q630 HydrophobicContact CE1-CB 3.52Å; F618-Q630 HydrophobicContact CE1-CG 3.82Å; F618-Q630 HydrophobicContact CE2-CB 4.27Å; F618-Q630 HydrophobicContact CG-CB 4.22Å; F618-Q630 HydrophobicContact CZ-CB 3.8Å; F618-A633 HydrophobicContact CB-CB 3.69Å
619	V	67.9	Low	66.7	Low	81 Å²	81	96 Å²	96	49%	0.491	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	134.1	-176.6	-164.5	0	0	0	0	108.9	R617 G621 F626	R617-V619 WeakPolarHBondContact O-CG2 3.36Å; R617-V619 PolarHBondContact O-N 3.02Å; R617-V619 VanDerWaalsContact O-N 3.11Å; V619-G621 PolarHBondContact O-N 2.87Å; V619-F626 HydrophobicContact CG1-CD1 4.43Å; V619-F626 HydrophobicContact CG1-CE1 4.24Å; V619-F626 HydrophobicContact CG2-CD1 3.93Å; V619-F626 HydrophobicContact CG2-CE1 3.81Å
620	C	78.4	Confident	67.1	Low	3 Å²	3	100 Å²	100	2%	0.02	51%	0.508	C	S	.	.			trans	-77	104.8	165.6	175.5	0	0	0	0	109.6	V622 C623 G624 K625 F627 H636 M637 H640	C620-V622 PolarHBondContact O-N 2.96Å; C620-V622 VanDerWaalsContact O-N 3.1Å; C620-C623 PolarHBondContact O-N 2.94Å; C620-G624 PolarHBondContact O-N 3.45Å; C620-K625 HydrophobicContact CB-CB 4.35Å; C620-K625 PolarHBondContact N-O 3.11Å; C620-F627 HydrophobicContact CB-CE2 4.14Å; C620-H636 VanDerWaalsContact SG-CD2 3.51Å; C620-M637 WeakPolarHBondContact SG-CE 3.46Å; C620-H640 PolarHBondContact SG-NE2 2.8Å; C620-H640 VanDerWaalsContact SG-NE2 3.38Å
621	G	72	Confident	67.7	Low	76 Å²	76	97.9 Å²	97.9	78%	0.784	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.9	-41.1	-178.7	0	0	0	0	0	113.9	V619 C623	V619-G621 PolarHBondContact O-N 2.87Å; G621-C623 VanDerWaalsContact C-N 3.32Å; G621-C623 PolarHBondContact O-N 3.19Å
622	V	72.3	Confident	68.5	Low	98 Å²	98	99.1 Å²	99.1	59%	0.594	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-18.3	-178.3	-176.4	0	0	0	0	114.6	C620 M637 H640	C620-V622 PolarHBondContact O-N 2.96Å; C620-V622 VanDerWaalsContact O-N 3.1Å; V622-M637 HydrophobicContact CB-CE 4.25Å; V622-M637 HydrophobicContact CG2-CE 3.79Å; V622-M637 HydrophobicContact CG2-SD 4.19Å; V622-H640 HydrophobicContact CB-CB 4.42Å; V622-H640 HydrophobicContact CG1-CB 4.13Å; V622-H640 HydrophobicContact CG2-CB 4.5Å
623	C	72.7	Confident	69	Low	50 Å²	50	96.7 Å²	96.7	34%	0.338	49%	0.492	S	S	.	.	T	Hydrogen-bonded Turn	trans	-154.7	20	-178	70.6	0	0	0	0	116.8	C620 G621 K625 H636 H640	C620-C623 PolarHBondContact O-N 2.94Å; G621-C623 VanDerWaalsContact C-N 3.32Å; G621-C623 PolarHBondContact O-N 3.19Å; C623-K625 PolarHBondContact O-N 3.43Å; C623-H636 PolarHBondContact SG-NE2 3.31Å; C623-H640 PolarHBondContact SG-CE1 3.27Å; C623-H640 PolarHBondContact SG-NE2 3.48Å; C623-H640 VanDerWaalsContact SG-NE2 3.37Å
624	G	71.6	Confident	69.8	Low	37 Å²	37	98.8 Å²	98.8	38%	0.381	50%	0.497	S	S	.	.			trans	65.3	-1.7	175.1	0	0	0	0	0	116.7	C620 F626	C620-G624 PolarHBondContact O-N 3.45Å; G624-F626 PolarHBondContact O-N 3.48Å
625	K	71.6	Confident	70.7	Confident	116 Å²	116	96 Å²	96	50%	0.504	48%	0.476	S	S	.	.			trans	-67.8	135.4	-173.8	-75	176.6	-173.2	163.6	0	112.1	C620 C623 F627	C620-K625 HydrophobicContact CB-CB 4.35Å; C620-K625 PolarHBondContact N-O 3.11Å; C623-K625 PolarHBondContact O-N 3.43Å; K625-F627 HydrophobicContact CB-CE2 3.64Å; K625-F627 HydrophobicContact CB-CZ 3.88Å; K625-F627 WeakPolarHBondContact O-CD2 3.46Å; K625-F627 VanDerWaalsContact O-CE2 3.29Å; K625-F627 WeakPolarHBondContact O-CE2 3.25Å
626	F	72.9	Confident	71.8	Confident	123 Å²	123	91.5 Å²	91.5	54%	0.539	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	124.3	-170.3	-66.1	-66.4	0	0	0	112.9	R617 V619 G624	R617-F626 HydrophobicContact CB-CB 3.89Å; R617-F626 HydrophobicContact CB-CD1 3.56Å; R617-F626 HydrophobicContact CB-CE1 4.49Å; R617-F626 HydrophobicContact CB-CG 4.11Å; R617-F626 HydrophobicContact CG-CB 4.04Å; R617-F626 HydrophobicContact CG-CD1 4.22Å; R617-F626 HydrophobicContact CG-CG 4.39Å; V619-F626 HydrophobicContact CG1-CD1 4.43Å; V619-F626 HydrophobicContact CG1-CE1 4.24Å; V619-F626 HydrophobicContact CG2-CD1 3.93Å; V619-F626 HydrophobicContact CG2-CE1 3.81Å; G624-F626 PolarHBondContact O-N 3.48Å
627	F	77.4	Confident	72.7	Confident	42 Å²	42	83.1 Å²	83.1	18%	0.184	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	142.9	-178.5	-60.8	-84.2	0	0	0	112.7	F618 C620 K625 K629 H632 A633 H636	F618-F627 HydrophobicContact CB-CB 4.4Å; F618-F627 PolarHBondContact N-O 3.02Å; F618-F627 PolarHBondContact O-N 2.87Å; C620-F627 HydrophobicContact CB-CE2 4.14Å; K625-F627 HydrophobicContact CB-CE2 3.64Å; K625-F627 HydrophobicContact CB-CZ 3.88Å; K625-F627 WeakPolarHBondContact O-CD2 3.46Å; K625-F627 VanDerWaalsContact O-CE2 3.29Å; K625-F627 WeakPolarHBondContact O-CE2 3.25Å; F627-K629 VanDerWaalsContact C-N 3.28Å; F627-K629 PolarHBondContact O-N 3.26Å; F627-H632 HydrophobicContact CB-CB 4.15Å; F627-H632 HydrophobicContact CD1-CB 4Å; F627-H632 HydrophobicContact CG-CB 4.38Å; F627-A633 HydrophobicContact CB-CB 4.03Å; F627-A633 HydrophobicContact CD2-CB 3.83Å; F627-A633 HydrophobicContact CG-CB 4.11Å; F627-H636 HydrophobicContact CE1-CB 3.91Å; F627-H636 HydrophobicContact CE2-CB 3.84Å; F627-H636 AromaticContact CE2-CD2 3.45Å; F627-H636 VanDerWaalsContact CE2-CD2 3.45Å; F627-H636 WeakPolarHBondContact CE2-CD2 3.42Å; F627-H636 AromaticContact CE2-CG 3.63Å; F627-H636 HydrophobicContact CZ-CB 3.46Å; F627-H636 VanDerWaalsContact CZ-CB 3.46Å; F627-H636 AromaticContact CZ-CD2 3.47Å; F627-H636 VanDerWaalsContact CZ-CD2 3.47Å; F627-H636 WeakPolarHBondContact CZ-CD2 3.21Å; F627-H636 AromaticContact CZ-CG 3.2Å; F627-H636 AromaticContact CZ-ND1 3.69Å
628	K	72.4	Confident	73.6	Confident	192 Å²	192	78.9 Å²	78.9	84%	0.835	41%	0.41	S	S	*	.	S	Bend	trans	-78.6	-5.1	-179.8	-60.6	-175.6	179.9	-177.5	0	114.1
629	K	75.3	Confident	73.7	Confident	126 Å²	126	80.4 Å²	80.4	55%	0.548	42%	0.421	S	S	.	.	S	Bend	trans	-151.8	144.3	-179.7	-68.2	-170.6	177	-174	0	110	F618 F627 I631 H632 A633	F618-K629 VanDerWaalsContact CD2-C 3.41Å; F627-K629 VanDerWaalsContact C-N 3.28Å; F627-K629 PolarHBondContact O-N 3.26Å; K629-I631 PolarHBondContact O-N 3.35Å; K629-H632 HydrophobicContact CB-CB 4.46Å; K629-H632 WeakPolarHBondContact O-CB 3.09Å; K629-H632 PolarHBondContact O-N 3.25Å; K629-A633 PolarHBondContact O-N 3.36Å
630	Q	71.8	Confident	73.9	Confident	130 Å²	130	79.9 Å²	79.9	61%	0.607	41%	0.413	S	S	*	.	H	α-helix	trans	-56.5	-47.1	177.2	-166	167.4	-13.7	0	0	112.4	F618 H632 A633 Q634	F618-Q630 HydrophobicContact CD1-CB 3.75Å; F618-Q630 HydrophobicContact CD1-CG 3.91Å; F618-Q630 HydrophobicContact CD2-CB 4.46Å; F618-Q630 VanDerWaalsContact CD2-N 3.32Å; F618-Q630 HydrophobicContact CE1-CB 3.52Å; F618-Q630 HydrophobicContact CE1-CG 3.82Å; F618-Q630 HydrophobicContact CE2-CB 4.27Å; F618-Q630 HydrophobicContact CG-CB 4.22Å; F618-Q630 HydrophobicContact CZ-CB 3.8Å; Q630-H632 PolarHBondContact O-N 2.9Å; Q630-H632 VanDerWaalsContact O-N 3.1Å; Q630-A633 CarbonylContact O-C 3.56Å; Q630-A633 WeakPolarHBondContact O-CA 3.12Å; Q630-A633 WeakPolarHBondContact O-CB 3.02Å; Q630-A633 PolarHBondContact O-N 2.96Å; Q630-Q634 PolarHBondContact O-N 3.01Å
631	I	73.7	Confident	73.6	Confident	105 Å²	105	83.3 Å²	83.3	54%	0.538	43%	0.434	S	S	.	.	H	α-helix	trans	-53.7	-34.8	176	-60.1	169.5	0	0	0	111.6	K629 N635	K629-I631 PolarHBondContact O-N 3.35Å; I631-N635 WeakPolarHBondContact O-CB 3.5Å; I631-N635 PolarHBondContact O-N 3.14Å; I631-N635 PolarHBondContact O-ND2 3.46Å
632	H	76.1	Confident	73.6	Confident	96 Å²	96	81.9 Å²	81.9	44%	0.444	42%	0.419	S	S	.	.	H	α-helix	trans	-77.7	-30.8	178.8	-63.7	-168.7	0	0	0	112.2	F627 K629 Q630 H636	F627-H632 HydrophobicContact CB-CB 4.15Å; F627-H632 HydrophobicContact CD1-CB 4Å; F627-H632 HydrophobicContact CG-CB 4.38Å; K629-H632 HydrophobicContact CB-CB 4.46Å; K629-H632 WeakPolarHBondContact O-CB 3.09Å; K629-H632 PolarHBondContact O-N 3.25Å; Q630-H632 PolarHBondContact O-N 2.9Å; Q630-H632 VanDerWaalsContact O-N 3.1Å; H632-H636 VanDerWaalsContact O-CB 3.27Å; H632-H636 WeakPolarHBondContact O-CB 3.48Å; H632-H636 PolarHBondContact O-N 2.89Å; H632-H636 VanDerWaalsContact O-N 3.1Å
633	A	74.4	Confident	73.5	Confident	14 Å²	14	81.4 Å²	81.4	12%	0.116	41%	0.41	C	S	.	.	H	α-helix	trans	-70.8	-41.4	170.8	0	0	0	0	0	111.6	F618 F627 K629 Q630 H636 M637	F618-A633 HydrophobicContact CB-CB 3.69Å; F627-A633 HydrophobicContact CB-CB 4.03Å; F627-A633 HydrophobicContact CD2-CB 3.83Å; F627-A633 HydrophobicContact CG-CB 4.11Å; K629-A633 PolarHBondContact O-N 3.36Å; Q630-A633 CarbonylContact O-C 3.56Å; Q630-A633 WeakPolarHBondContact O-CA 3.12Å; Q630-A633 WeakPolarHBondContact O-CB 3.02Å; Q630-A633 PolarHBondContact O-N 2.96Å; A633-H636 CarbonylContact O-C 3.59Å; A633-H636 WeakPolarHBondContact O-CA 3.4Å; A633-H636 WeakPolarHBondContact O-CB 3.39Å; A633-H636 PolarHBondContact O-N 3.43Å; A633-H636 VanDerWaalsContact O-N 3.17Å; A633-M637 PolarHBondContact O-N 3.49Å
634	Q	73.6	Confident	73.6	Confident	113 Å²	113	84.2 Å²	84.2	53%	0.528	42%	0.417	S	S	.	.	H	α-helix	trans	-65.1	-46.9	176.2	-168.3	-179.7	16.8	0	0	111.5	Q630 H636 M637 R638	Q630-Q634 PolarHBondContact O-N 3.01Å; Q634-H636 PolarHBondContact O-N 3.33Å; Q634-M637 WeakPolarHBondContact O-CB 3.31Å; Q634-M637 PolarHBondContact O-N 3.01Å; Q634-R638 PolarHBondContact O-N 3.19Å
635	N	74.9	Confident	73.7	Confident	45 Å²	45	86 Å²	86	24%	0.241	42%	0.422	C	S	.	.	H	α-helix	trans	-61.6	-25.3	172.1	-75.1	-14.7	0	0	0	113.2	I631 L657	I631-N635 WeakPolarHBondContact O-CB 3.5Å; I631-N635 PolarHBondContact O-N 3.14Å; I631-N635 PolarHBondContact O-ND2 3.46Å; N635-L657 HydrophobicContact CB-CD2 3.8Å; N635-L657 WeakPolarHBondContact ND2-CD2 3.25Å; N635-L657 WeakPolarHBondContact OD1-CD2 3.4Å
636	H	76.9	Confident	74	Confident	22 Å²	22	83.3 Å²	83.3	10%	0.102	41%	0.41	C	S	.	.	H	α-helix	trans	-82.2	-32	171	178.4	70.2	0	0	0	112.5	C620 C623 F627 H632 A633 Q634 R638 I639 H640	C620-H636 VanDerWaalsContact SG-CD2 3.51Å; C623-H636 PolarHBondContact SG-NE2 3.31Å; F627-H636 HydrophobicContact CE1-CB 3.91Å; F627-H636 HydrophobicContact CE2-CB 3.84Å; F627-H636 AromaticContact CE2-CD2 3.45Å; F627-H636 VanDerWaalsContact CE2-CD2 3.45Å; F627-H636 WeakPolarHBondContact CE2-CD2 3.42Å; F627-H636 AromaticContact CE2-CG 3.63Å; F627-H636 HydrophobicContact CZ-CB 3.46Å; F627-H636 VanDerWaalsContact CZ-CB 3.46Å; F627-H636 AromaticContact CZ-CD2 3.47Å; F627-H636 VanDerWaalsContact CZ-CD2 3.47Å; F627-H636 WeakPolarHBondContact CZ-CD2 3.21Å; F627-H636 AromaticContact CZ-CG 3.2Å; F627-H636 AromaticContact CZ-ND1 3.69Å; H632-H636 VanDerWaalsContact O-CB 3.27Å; H632-H636 WeakPolarHBondContact O-CB 3.48Å; H632-H636 PolarHBondContact O-N 2.89Å; H632-H636 VanDerWaalsContact O-N 3.1Å; A633-H636 CarbonylContact O-C 3.59Å; A633-H636 WeakPolarHBondContact O-CA 3.4Å; A633-H636 WeakPolarHBondContact O-CB 3.39Å; A633-H636 PolarHBondContact O-N 3.43Å; A633-H636 VanDerWaalsContact O-N 3.17Å; Q634-H636 PolarHBondContact O-N 3.33Å; H636-R638 PolarHBondContact O-N 2.83Å; H636-I639 VanDerWaalsContact O-CB 3.25Å; H636-I639 WeakPolarHBondContact O-CB 3.49Å; H636-I639 PolarHBondContact O-N 2.93Å; H636-H640 AromaticContact CD2-NE2 3.72Å; H636-H640 AromaticContact CE1-NE2 3.7Å; H636-H640 AromaticContact NE2-CD2 3.95Å; H636-H640 AromaticContact NE2-NE2 3.07Å; H636-H640 PolarHBondContact NE2-NE2 3.35Å
637	M	71.8	Confident	74.3	Confident	55 Å²	55	83.5 Å²	83.5	27%	0.271	41%	0.413	S	S	.	.	H	α-helix	trans	-61.6	-34.4	176.2	-174.6	43.2	60.4	0	0	111.7	C620 V622 A633 Q634 I639 H640 T641	C620-M637 WeakPolarHBondContact SG-CE 3.46Å; V622-M637 HydrophobicContact CB-CE 4.25Å; V622-M637 HydrophobicContact CG2-CE 3.79Å; V622-M637 HydrophobicContact CG2-SD 4.19Å; A633-M637 PolarHBondContact O-N 3.49Å; Q634-M637 WeakPolarHBondContact O-CB 3.31Å; Q634-M637 PolarHBondContact O-N 3.01Å; M637-I639 PolarHBondContact O-N 2.75Å; M637-H640 WeakPolarHBondContact O-CA 3.2Å; M637-H640 PolarHBondContact O-N 2.84Å; M637-H640 HydrophobicContact SD-CB 3.92Å; M637-T641 HydrophobicContact CG-CG2 4.1Å; M637-T641 PolarHBondContact O-N 2.79Å; M637-T641 PolarHBondContact O-OG1 3Å; M637-T641 HydrophobicContact SD-CG2 4.08Å
638	R	78.6	Confident	74.5	Confident	47 Å²	47	81.6 Å²	81.6	18%	0.177	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-12.4	169.7	-63.8	-174.7	173.9	164.5	2.8	115.4	Q634 H636 T641 G642 E643 S656	Q634-R638 PolarHBondContact O-N 3.19Å; H636-R638 PolarHBondContact O-N 2.83Å; R638-T641 WeakPolarHBondContact CA-OG1 3.49Å; R638-G642 WeakPolarHBondContact O-CA 3.44Å; R638-G642 PolarHBondContact O-N 3.37Å; R638-E643 HydrophobicContact CB-CB 4.43Å; R638-E643 HydrophobicContact CG-CB 4.11Å; R638-E643 IonicContact NE-OE2 3.8Å; R638-S656 PolarHBondContact NH1-O 3.04Å; R638-S656 VanDerWaalsContact NH1-O 3.15Å
639	I	70.9	Confident	74.8	Confident	117 Å²	117	77.2 Å²	77.2	60%	0.6	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-27.7	171.4	-60.9	172.3	0	0	0	111.3	H636 M637	H636-I639 VanDerWaalsContact O-CB 3.25Å; H636-I639 WeakPolarHBondContact O-CB 3.49Å; H636-I639 PolarHBondContact O-N 2.93Å; M637-I639 PolarHBondContact O-N 2.75Å
640	H	73.2	Confident	74.7	Confident	71 Å²	71	75.4 Å²	75.4	33%	0.329	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-43.9	178.6	-55	-78.6	0	0	0	111.9	C620 V622 C623 H636 M637 G642	C620-H640 PolarHBondContact SG-NE2 2.8Å; C620-H640 VanDerWaalsContact SG-NE2 3.38Å; V622-H640 HydrophobicContact CB-CB 4.42Å; V622-H640 HydrophobicContact CG1-CB 4.13Å; V622-H640 HydrophobicContact CG2-CB 4.5Å; C623-H640 PolarHBondContact SG-CE1 3.27Å; C623-H640 PolarHBondContact SG-NE2 3.48Å; C623-H640 VanDerWaalsContact SG-NE2 3.37Å; H636-H640 AromaticContact CD2-NE2 3.72Å; H636-H640 AromaticContact CE1-NE2 3.7Å; H636-H640 AromaticContact NE2-CD2 3.95Å; H636-H640 AromaticContact NE2-NE2 3.07Å; H636-H640 PolarHBondContact NE2-NE2 3.35Å; M637-H640 WeakPolarHBondContact O-CA 3.2Å; M637-H640 PolarHBondContact O-N 2.84Å; M637-H640 HydrophobicContact SD-CB 3.92Å; H640-G642 VanDerWaalsContact C-N 3.3Å
641	T	72	Confident	74.9	Confident	75 Å²	75	71.4 Å²	71.4	46%	0.46	38%	0.381	S	S	.	.	S	Bend	trans	-72.6	-25.1	173.9	64	0	0	0	0	112.5	M637 R638 E643	M637-T641 HydrophobicContact CG-CG2 4.1Å; M637-T641 PolarHBondContact O-N 2.79Å; M637-T641 PolarHBondContact O-OG1 3Å; M637-T641 HydrophobicContact SD-CG2 4.08Å; R638-T641 WeakPolarHBondContact CA-OG1 3.49Å; T641-E643 VanDerWaalsContact C-N 3.26Å; T641-E643 WeakPolarHBondContact CB-OE1 3.34Å; T641-E643 WeakPolarHBondContact CG2-OE1 3.45Å; T641-E643 PolarHBondContact O-N 2.73Å; T641-E643 VanDerWaalsContact OG1-CD 3.27Å; T641-E643 WeakPolarHBondContact OG1-CG 3.39Å; T641-E643 PolarHBondContact OG1-OE1 2.96Å
642	G	71	Confident	75	Confident	45 Å²	45	68.2 Å²	68.2	46%	0.464	37%	0.373	S	S	.	.			trans	79.9	1.5	179.7	0	0	0	0	0	114.9	R638 H640 K644	R638-G642 WeakPolarHBondContact O-CA 3.44Å; R638-G642 PolarHBondContact O-N 3.37Å; H640-G642 VanDerWaalsContact C-N 3.3Å; G642-K644 PolarHBondContact O-N 2.9Å
643	E	71.5	Confident	75.1	Confident	88 Å²	88	68.4 Å²	68.4	41%	0.411	37%	0.373	S	S	.	.			trans	-51.8	134.1	177.1	-73.5	157.1	-118.7	0	0	113	R638 T641 S656	R638-E643 HydrophobicContact CB-CB 4.43Å; R638-E643 HydrophobicContact CG-CB 4.11Å; R638-E643 IonicContact NE-OE2 3.8Å; T641-E643 VanDerWaalsContact C-N 3.26Å; T641-E643 WeakPolarHBondContact CB-OE1 3.34Å; T641-E643 WeakPolarHBondContact CG2-OE1 3.45Å; T641-E643 PolarHBondContact O-N 2.73Å; T641-E643 VanDerWaalsContact OG1-CD 3.27Å; T641-E643 WeakPolarHBondContact OG1-CG 3.39Å; T641-E643 PolarHBondContact OG1-OE1 2.96Å; E643-S656 WeakPolarHBondContact O-CB 3.43Å
644	K	74.4	Confident	75.1	Confident	110 Å²	110	70 Å²	70	48%	0.478	38%	0.381	S	S	.	.			trans	-134.4	71.7	177.9	-74.4	144.9	142.3	-93.6	0	110.9	G642 F646 T654 F655	G642-K644 PolarHBondContact O-N 2.9Å; K644-F646 PolarHBondContact O-N 2.84Å; K644-F646 VanDerWaalsContact O-N 3.09Å; K644-T654 PolarHBondContact NZ-O 3.27Å; K644-F655 CarbonylContact C-O 3.5Å; K644-F655 VanDerWaalsContact CA-O 3.27Å; K644-F655 WeakPolarHBondContact CA-O 3.25Å
645	P	73.6	Confident	75.4	Confident	74 Å²	74	66.8 Å²	66.8	48%	0.481	37%	0.365	S	S	.	.			trans	-67.1	-12.8	-169.8	-21.8	35.3	0	0	0	115.4
646	F	78	Confident	75.6	Confident	60 Å²	60	66 Å²	66	26%	0.263	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	99.6	-174	-55.4	-76.2	0	0	0	110.3	K644 T654 F655 L658 L661	K644-F646 PolarHBondContact O-N 2.84Å; K644-F646 VanDerWaalsContact O-N 3.09Å; F646-T654 CarbonylContact O-C 3.52Å; F646-T654 WeakPolarHBondContact O-CA 3.38Å; F646-F655 HydrophobicContact CB-CB 4.46Å; F646-F655 PolarHBondContact N-O 3.06Å; F646-F655 VanDerWaalsContact N-O 3.07Å; F646-F655 PolarHBondContact O-N 3.42Å; F646-L658 HydrophobicContact CD1-CB 3.86Å; F646-L658 HydrophobicContact CD1-CD1 3.97Å; F646-L658 HydrophobicContact CD1-CG 4.46Å; F646-L658 HydrophobicContact CD2-CB 4.43Å; F646-L658 HydrophobicContact CE1-CB 3.76Å; F646-L658 HydrophobicContact CE1-CD1 4.38Å; F646-L658 HydrophobicContact CE1-CG 4.48Å; F646-L658 HydrophobicContact CE2-CB 4.33Å; F646-L658 HydrophobicContact CG-CB 4.19Å; F646-L658 HydrophobicContact CZ-CB 4Å; F646-L661 HydrophobicContact CB-CB 4.14Å; F646-L661 HydrophobicContact CB-CD2 3.9Å
647	Q	78.1	Confident	75.6	Confident	127 Å²	127	67.4 Å²	67.4	59%	0.593	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.2	141.2	176.4	-173	166.5	-13.5	0	0	111.3	T654 L661	Q647-T654 HydrophobicContact CB-CG2 4.05Å; Q647-T654 HydrophobicContact CG-CG2 4.03Å; Q647-L661 VanDerWaalsContact O-CD2 3.3Å; Q647-L661 WeakPolarHBondContact O-CD2 3.39Å
648	C	82	Confident	75.8	Confident	1 Å²	1	69 Å²	69	1%	0.007	38%	0.381	C	S	.	.			trans	-81.1	124.4	167.2	-151.7	0	0	0	0	109	D650 G652 K653 F655 L661	C648-D650 PolarHBondContact SG-OD2 3.32Å; C648-G652 WeakPolarHBondContact O-CA 3.27Å; C648-G652 PolarHBondContact O-N 3.05Å; C648-K653 WeakPolarHBondContact CB-O 3.25Å; C648-K653 PolarHBondContact N-O 3.34Å; C648-F655 HydrophobicContact CB-CE2 4.41Å; C648-L661 VanDerWaalsContact CA-CD1 3.49Å; C648-L661 HydrophobicContact CB-CD1 3.6Å
649	S	78.6	Confident	75.7	Confident	101 Å²	101	69.8 Å²	69.8	71%	0.706	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-49.5	-60.6	168.3	29.9	0	0	0	0	110.6	C651	S649-C651 PolarHBondContact O-N 3.2Å
650	D	73.1	Confident	76.2	Confident	88 Å²	88	66.4 Å²	66.4	47%	0.471	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-69.6	-5.4	-164.3	-6.8	-56.5	0	0	0	114.4	C648 H668	C648-D650 PolarHBondContact SG-OD2 3.32Å; D650-H668 HydrophobicContact CB-CB 4.38Å; D650-H668 IonicContact OD2-CD2 3.92Å; D650-H668 PolarHBondContact OD2-CD2 2.83Å; D650-H668 IonicContact OD2-CG 3.54Å; D650-H668 IonicContact OD2-NE2 2.74Å
651	C	75.9	Confident	76.6	Confident	46 Å²	46	64.1 Å²	64.1	31%	0.311	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-161.2	14.1	176.4	71.7	0	0	0	0	115.9	S649 K653 H664 H668	S649-C651 PolarHBondContact O-N 3.2Å; C651-K653 PolarHBondContact O-N 3.43Å; C651-K653 VanDerWaalsContact SG-CG 3.55Å; C651-K653 PolarHBondContact SG-NZ 2.89Å; C651-H664 PolarHBondContact SG-NE2 2.85Å; C651-H668 PolarHBondContact SG-NE2 3.24Å
652	G	77	Confident	76.8	Confident	37 Å²	37	66.3 Å²	66.3	38%	0.381	38%	0.377	S	S	.	.			trans	61.3	6	179.7	0	0	0	0	0	117.3	C648 T654	C648-G652 WeakPolarHBondContact O-CA 3.27Å; C648-G652 PolarHBondContact O-N 3.05Å; G652-T654 PolarHBondContact O-N 3.48Å
653	K	77.7	Confident	77.3	Confident	100 Å²	100	68.6 Å²	68.6	44%	0.435	37%	0.372	S	S	.	.			trans	-75.2	128.5	-175.4	-68.5	-171.3	-149.5	79.9	0	110.4	C648 C651 F655 H664	C648-K653 WeakPolarHBondContact CB-O 3.25Å; C648-K653 PolarHBondContact N-O 3.34Å; C651-K653 PolarHBondContact O-N 3.43Å; C651-K653 VanDerWaalsContact SG-CG 3.55Å; C651-K653 PolarHBondContact SG-NZ 2.89Å; K653-F655 HydrophobicContact CB-CE2 3.84Å; K653-F655 HydrophobicContact CB-CZ 4Å; K653-F655 WeakPolarHBondContact O-CD2 3.41Å; K653-F655 WeakPolarHBondContact O-CE2 3.13Å; K653-H664 PolarHBondContact NZ-NE2 2.87Å
654	T	74.8	Confident	77.7	Confident	49 Å²	49	65.3 Å²	65.3	30%	0.301	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	138.9	-175.8	57	0	0	0	0	112.7	K644 F646 Q647 G652	K644-T654 PolarHBondContact NZ-O 3.27Å; F646-T654 CarbonylContact O-C 3.52Å; F646-T654 WeakPolarHBondContact O-CA 3.38Å; Q647-T654 HydrophobicContact CB-CG2 4.05Å; Q647-T654 HydrophobicContact CG-CG2 4.03Å; G652-T654 PolarHBondContact O-N 3.48Å
655	F	80.1	Confident	77.7	Confident	44 Å²	44	62.2 Å²	62.2	19%	0.193	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	146.7	-175.9	-60.1	-86.7	0	0	0	111.7	K644 F646 C648 K653 L657 N660 L661 H664	K644-F655 CarbonylContact C-O 3.5Å; K644-F655 VanDerWaalsContact CA-O 3.27Å; K644-F655 WeakPolarHBondContact CA-O 3.25Å; F646-F655 HydrophobicContact CB-CB 4.46Å; F646-F655 PolarHBondContact N-O 3.06Å; F646-F655 VanDerWaalsContact N-O 3.07Å; F646-F655 PolarHBondContact O-N 3.42Å; C648-F655 HydrophobicContact CB-CE2 4.41Å; K653-F655 HydrophobicContact CB-CE2 3.84Å; K653-F655 HydrophobicContact CB-CZ 4Å; K653-F655 WeakPolarHBondContact O-CD2 3.41Å; K653-F655 WeakPolarHBondContact O-CE2 3.13Å; F655-L657 VanDerWaalsContact C-N 3.28Å; F655-L657 PolarHBondContact O-N 2.98Å; F655-N660 HydrophobicContact CB-CB 4.23Å; F655-N660 HydrophobicContact CD1-CB 4Å; F655-N660 HydrophobicContact CG-CB 4.35Å; F655-L661 HydrophobicContact CB-CB 4.48Å; F655-L661 HydrophobicContact CD2-CB 4.04Å; F655-L661 HydrophobicContact CD2-CD1 4.11Å; F655-L661 HydrophobicContact CE2-CD1 4.26Å; F655-L661 HydrophobicContact CG-CB 4.45Å; F655-H664 HydrophobicContact CE1-CB 4.27Å; F655-H664 HydrophobicContact CE2-CB 3.89Å; F655-H664 AromaticContact CE2-CD2 3.48Å; F655-H664 VanDerWaalsContact CE2-CD2 3.48Å; F655-H664 WeakPolarHBondContact CE2-CD2 3.3Å; F655-H664 AromaticContact CE2-CG 3.89Å; F655-H664 HydrophobicContact CZ-CB 3.59Å; F655-H664 AromaticContact CZ-CD2 3.33Å; F655-H664 WeakPolarHBondContact CZ-CD2 3.48Å; F655-H664 AromaticContact CZ-CG 3.46Å; F655-H664 VanDerWaalsContact CZ-CG 3.46Å
656	S	78.3	Confident	78.2	Confident	30 Å²	30	60.5 Å²	60.5	21%	0.21	33%	0.333	C	S	.	.	S	Bend	trans	-75.7	-13.3	177.4	52.3	0	0	0	0	114.4	R638 E643	R638-S656 PolarHBondContact NH1-O 3.04Å; R638-S656 VanDerWaalsContact NH1-O 3.15Å; E643-S656 WeakPolarHBondContact O-CB 3.43Å
657	L	77.6	Confident	78.2	Confident	50 Å²	50	62.8 Å²	62.8	26%	0.262	35%	0.347	S	S	.	.	S	Bend	trans	-140.5	134.3	-176.9	-59.5	175.8	0	0	0	111.6	N635 F655 A659 N660 L661	N635-L657 HydrophobicContact CB-CD2 3.8Å; N635-L657 WeakPolarHBondContact ND2-CD2 3.25Å; N635-L657 WeakPolarHBondContact OD1-CD2 3.4Å; F655-L657 VanDerWaalsContact C-N 3.28Å; F655-L657 PolarHBondContact O-N 2.98Å; L657-A659 VanDerWaalsContact C-N 3.27Å; L657-A659 PolarHBondContact O-N 2.93Å; L657-N660 HydrophobicContact CB-CB 4.39Å; L657-N660 WeakPolarHBondContact O-CA 3.46Å; L657-N660 WeakPolarHBondContact O-CB 3.29Å; L657-N660 PolarHBondContact O-N 3.05Å; L657-L661 PolarHBondContact O-N 3.31Å
658	L	75.1	Confident	78.1	Confident	89 Å²	89	60.4 Å²	60.4	47%	0.466	34%	0.336	S	S	.	.	H	α-helix	trans	-54.9	-41.6	173.9	-177.6	59	0	0	0	112.2	F646 N660 L661 M662	F646-L658 HydrophobicContact CD1-CB 3.86Å; F646-L658 HydrophobicContact CD1-CD1 3.97Å; F646-L658 HydrophobicContact CD1-CG 4.46Å; F646-L658 HydrophobicContact CD2-CB 4.43Å; F646-L658 HydrophobicContact CE1-CB 3.76Å; F646-L658 HydrophobicContact CE1-CD1 4.38Å; F646-L658 HydrophobicContact CE1-CG 4.48Å; F646-L658 HydrophobicContact CE2-CB 4.33Å; F646-L658 HydrophobicContact CG-CB 4.19Å; F646-L658 HydrophobicContact CZ-CB 4Å; L658-N660 PolarHBondContact O-N 3.31Å; L658-N660 VanDerWaalsContact O-N 3.12Å; L658-L661 HydrophobicContact CD1-CD2 4.24Å; L658-L661 WeakPolarHBondContact O-CA 3.42Å; L658-L661 WeakPolarHBondContact O-CB 3.47Å; L658-L661 PolarHBondContact O-N 3.27Å; L658-M662 HydrophobicContact CD1-CG 4.26Å; L658-M662 HydrophobicContact CG-CG 4.32Å; L658-M662 HydrophobicContact CG-SD 4.26Å; L658-M662 WeakPolarHBondContact O-CG 3.48Å; L658-M662 PolarHBondContact O-N 3.11Å
659	A	76.4	Confident	77.8	Confident	63 Å²	63	63.9 Å²	63.9	52%	0.521	36%	0.36	S	S	.	.	H	α-helix	trans	-66.3	-12	176.9	0	0	0	0	0	114.4	L657 R663	L657-A659 VanDerWaalsContact C-N 3.27Å; L657-A659 PolarHBondContact O-N 2.93Å; A659-R663 PolarHBondContact O-NH2 2.81Å
660	N	81.5	Confident	77.6	Confident	46 Å²	46	61.3 Å²	61.3	25%	0.246	35%	0.349	C	S	.	.	H	α-helix	trans	-89.8	-36.1	167.8	-71.8	-24.4	0	0	0	111.4	F655 L657 L658 R663 H664	F655-N660 HydrophobicContact CB-CB 4.23Å; F655-N660 HydrophobicContact CD1-CB 4Å; F655-N660 HydrophobicContact CG-CB 4.35Å; L657-N660 HydrophobicContact CB-CB 4.39Å; L657-N660 WeakPolarHBondContact O-CA 3.46Å; L657-N660 WeakPolarHBondContact O-CB 3.29Å; L657-N660 PolarHBondContact O-N 3.05Å; L658-N660 PolarHBondContact O-N 3.31Å; L658-N660 VanDerWaalsContact O-N 3.12Å; N660-R663 PolarHBondContact O-N 3.36Å; N660-R663 VanDerWaalsContact OD1-CZ 3.29Å; N660-R663 PolarHBondContact OD1-NH1 2.8Å; N660-R663 PolarHBondContact OD1-NH2 3.44Å; N660-H664 PolarHBondContact O-N 3.13Å
661	L	81.3	Confident	77.7	Confident	23 Å²	23	60.7 Å²	60.7	12%	0.12	35%	0.349	C	S	.	.	H	α-helix	trans	-61.8	-50.2	171.3	170.8	58.4	0	0	0	111.3	F646 Q647 C648 F655 L657 L658 R663 H664 T665	F646-L661 HydrophobicContact CB-CB 4.14Å; F646-L661 HydrophobicContact CB-CD2 3.9Å; Q647-L661 VanDerWaalsContact O-CD2 3.3Å; Q647-L661 WeakPolarHBondContact O-CD2 3.39Å; C648-L661 VanDerWaalsContact CA-CD1 3.49Å; C648-L661 HydrophobicContact CB-CD1 3.6Å; F655-L661 HydrophobicContact CB-CB 4.48Å; F655-L661 HydrophobicContact CD2-CB 4.04Å; F655-L661 HydrophobicContact CD2-CD1 4.11Å; F655-L661 HydrophobicContact CE2-CD1 4.26Å; F655-L661 HydrophobicContact CG-CB 4.45Å; L657-L661 PolarHBondContact O-N 3.31Å; L658-L661 HydrophobicContact CD1-CD2 4.24Å; L658-L661 WeakPolarHBondContact O-CA 3.42Å; L658-L661 WeakPolarHBondContact O-CB 3.47Å; L658-L661 PolarHBondContact O-N 3.27Å; L661-R663 PolarHBondContact O-N 3.35Å; L661-R663 VanDerWaalsContact O-N 3.11Å; L661-H664 CarbonylContact O-C 3.59Å; L661-H664 WeakPolarHBondContact O-CA 3.42Å; L661-H664 WeakPolarHBondContact O-CB 3.45Å; L661-H664 PolarHBondContact O-N 2.9Å; L661-T665 HydrophobicContact CD1-CG2 4.1Å; L661-T665 PolarHBondContact O-N 3.46Å
662	M	77.7	Confident	77.9	Confident	121 Å²	121	65 Å²	65	60%	0.596	36%	0.359	S	S	*	.	H	α-helix	trans	-62.7	-19.9	176.9	-61.4	-175.6	81.2	0	0	113.5	L658 T665 L666	L658-M662 HydrophobicContact CD1-CG 4.26Å; L658-M662 HydrophobicContact CG-CG 4.32Å; L658-M662 HydrophobicContact CG-SD 4.26Å; L658-M662 WeakPolarHBondContact O-CG 3.48Å; L658-M662 PolarHBondContact O-N 3.11Å; M662-T665 PolarHBondContact O-OG1 3.36Å; M662-L666 WeakPolarHBondContact O-CG 3.33Å
663	R	79.8	Confident	77.7	Confident	93 Å²	93	66.8 Å²	66.8	35%	0.351	36%	0.363	S	S	.	.	H	α-helix	trans	-89.5	-12.7	172	-153.4	-171.2	-44.5	113.2	18.6	112.5	A659 N660 L661 Q685	A659-R663 PolarHBondContact O-NH2 2.81Å; N660-R663 PolarHBondContact O-N 3.36Å; N660-R663 VanDerWaalsContact OD1-CZ 3.29Å; N660-R663 PolarHBondContact OD1-NH1 2.8Å; N660-R663 PolarHBondContact OD1-NH2 3.44Å; L661-R663 PolarHBondContact O-N 3.35Å; L661-R663 VanDerWaalsContact O-N 3.11Å; R663-Q685 VanDerWaalsContact CD-CD 3.42Å; R663-Q685 HydrophobicContact CG-CG 4.04Å
664	H	80.3	Confident	77.9	Confident	20 Å²	20	66.5 Å²	66.5	9%	0.093	36%	0.36	C	S	.	.	H	α-helix	trans	-88.8	-39.1	172.8	-171.8	33.6	0	0	0	111.9	C651 K653 F655 N660 L661 L666 I667 H668	C651-H664 PolarHBondContact SG-NE2 2.85Å; K653-H664 PolarHBondContact NZ-NE2 2.87Å; F655-H664 HydrophobicContact CE1-CB 4.27Å; F655-H664 HydrophobicContact CE2-CB 3.89Å; F655-H664 AromaticContact CE2-CD2 3.48Å; F655-H664 VanDerWaalsContact CE2-CD2 3.48Å; F655-H664 WeakPolarHBondContact CE2-CD2 3.3Å; F655-H664 AromaticContact CE2-CG 3.89Å; F655-H664 HydrophobicContact CZ-CB 3.59Å; F655-H664 AromaticContact CZ-CD2 3.33Å; F655-H664 WeakPolarHBondContact CZ-CD2 3.48Å; F655-H664 AromaticContact CZ-CG 3.46Å; F655-H664 VanDerWaalsContact CZ-CG 3.46Å; N660-H664 PolarHBondContact O-N 3.13Å; L661-H664 CarbonylContact O-C 3.59Å; L661-H664 WeakPolarHBondContact O-CA 3.42Å; L661-H664 WeakPolarHBondContact O-CB 3.45Å; L661-H664 PolarHBondContact O-N 2.9Å; H664-L666 PolarHBondContact O-N 3.24Å; H664-I667 WeakPolarHBondContact O-CA 3.33Å; H664-I667 WeakPolarHBondContact O-CB 3.49Å; H664-I667 WeakPolarHBondContact O-CG1 3.34Å; H664-I667 PolarHBondContact O-N 2.99Å; H664-H668 AromaticContact CD2-NE2 4Å; H664-H668 AromaticContact CE1-NE2 3.89Å; H664-H668 AromaticContact NE2-NE2 3.52Å
665	T	75.8	Confident	78	Confident	44 Å²	44	71 Å²	71	27%	0.27	37%	0.372	S	S	.	.	H	α-helix	trans	-61.4	-30.4	175.8	52.9	0	0	0	0	112.3	L661 M662 I667 H668 S669	L661-T665 HydrophobicContact CD1-CG2 4.1Å; L661-T665 PolarHBondContact O-N 3.46Å; M662-T665 PolarHBondContact O-OG1 3.36Å; T665-I667 PolarHBondContact O-N 2.69Å; T665-H668 PolarHBondContact O-N 3.38Å; T665-S669 PolarHBondContact O-N 3.45Å; T665-S669 PolarHBondContact O-OG 2.86Å
666	L	82.1	Confident	78.1	Confident	39 Å²	39	69 Å²	69	20%	0.204	36%	0.363	C	S	.	.	H	α-helix	trans	-59.5	-8.2	166.9	-67.8	175.3	0	0	0	115.1	M662 H664 V671 P673	M662-L666 WeakPolarHBondContact O-CG 3.33Å; H664-L666 PolarHBondContact O-N 3.24Å; L666-V671 HydrophobicContact CD2-CB 3.9Å; L666-V671 HydrophobicContact CD2-CG1 4.2Å; L666-P673 HydrophobicContact CD1-CG 4.48Å; L666-P673 HydrophobicContact CD2-CG 4.23Å
667	I	78.8	Confident	78.2	Confident	107 Å²	107	73.9 Å²	73.9	55%	0.549	39%	0.387	S	S	.	.	H	α-helix	trans	-89.6	-30.5	170.7	-53.7	-173.5	0	0	0	110.6	H664 T665	H664-I667 WeakPolarHBondContact O-CA 3.33Å; H664-I667 WeakPolarHBondContact O-CB 3.49Å; H664-I667 WeakPolarHBondContact O-CG1 3.34Å; H664-I667 PolarHBondContact O-N 2.99Å; T665-I667 PolarHBondContact O-N 2.69Å
668	H	75.9	Confident	78.4	Confident	78 Å²	78	76.3 Å²	76.3	36%	0.361	40%	0.404	S	S	.	.	H	α-helix	trans	-83.9	-47.2	179.4	-61.4	-57.6	0	0	0	111.6	D650 C651 H664 T665 G670	D650-H668 HydrophobicContact CB-CB 4.38Å; D650-H668 IonicContact OD2-CD2 3.92Å; D650-H668 PolarHBondContact OD2-CD2 2.83Å; D650-H668 IonicContact OD2-CG 3.54Å; D650-H668 IonicContact OD2-NE2 2.74Å; C651-H668 PolarHBondContact SG-NE2 3.24Å; H664-H668 AromaticContact CD2-NE2 4Å; H664-H668 AromaticContact CE1-NE2 3.89Å; H664-H668 AromaticContact NE2-NE2 3.52Å; T665-H668 PolarHBondContact O-N 3.38Å; H668-G670 PolarHBondContact O-N 2.84Å
669	S	76.4	Confident	78.7	Confident	73 Å²	73	74.3 Å²	74.3	51%	0.51	40%	0.396	S	S	.	.	S	Bend	trans	-74.3	-0.8	176.2	65.4	0	0	0	0	114.3	T665 V671	T665-S669 PolarHBondContact O-N 3.45Å; T665-S669 PolarHBondContact O-OG 2.86Å; S669-V671 WeakPolarHBondContact O-CG2 3.47Å; S669-V671 PolarHBondContact O-N 3.27Å
670	G	73.6	Confident	78.9	Confident	47 Å²	47	78.3 Å²	78.3	49%	0.485	40%	0.399	S	S	.	.			trans	65.1	-10.8	-178	0	0	0	0	0	116.2	H668 R672	H668-G670 PolarHBondContact O-N 2.84Å; G670-R672 WeakPolarHBondContact O-CG 3.3Å; G670-R672 PolarHBondContact O-N 3.02Å
671	V	75.3	Confident	78.7	Confident	76 Å²	76	83.8 Å²	83.8	46%	0.461	42%	0.416	S	S	.	.			trans	-61.7	132	-170.7	-178.2	0	0	0	0	111.9	L666 S669 P673	L666-V671 HydrophobicContact CD2-CB 3.9Å; L666-V671 HydrophobicContact CD2-CG1 4.2Å; S669-V671 WeakPolarHBondContact O-CG2 3.47Å; S669-V671 PolarHBondContact O-N 3.27Å; V671-P673 HydrophobicContact CG1-CG 4.03Å; V671-P673 WeakPolarHBondContact O-CD 3.35Å
672	R	79.6	Confident	78.4	Confident	137 Å²	137	84.5 Å²	84.5	52%	0.517	42%	0.423	S	S	.	.			trans	-125.2	77.4	-176.4	-70.7	163.2	82.1	127.1	1.4	110.7	G670 Y674 S682 F683	G670-R672 WeakPolarHBondContact O-CG 3.3Å; G670-R672 PolarHBondContact O-N 3.02Å; R672-Y674 PolarHBondContact O-N 3.15Å; R672-S682 VanDerWaalsContact CZ-O 3.24Å; R672-S682 PolarHBondContact NE-O 2.78Å; R672-S682 PolarHBondContact NH2-O 3.46Å; R672-F683 CarbonylContact C-O 3.48Å; R672-F683 WeakPolarHBondContact CA-O 3.19Å
673	P	73.7	Confident	78.6	Confident	74 Å²	74	80.2 Å²	80.2	48%	0.481	40%	0.401	S	S	.	.			trans	-65	-8.2	-167.5	-21.3	32.7	0	0	0	116.1	L666 V671	L666-P673 HydrophobicContact CD1-CG 4.48Å; L666-P673 HydrophobicContact CD2-CG 4.23Å; V671-P673 HydrophobicContact CG1-CG 4.03Å; V671-P673 WeakPolarHBondContact O-CD 3.35Å
674	Y	82.3	Confident	78.6	Confident	93 Å²	93	77.2 Å²	77.2	37%	0.365	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	83.8	-170.4	-56.5	-71	0	0	0	110.3	R672 S682 F683	R672-Y674 PolarHBondContact O-N 3.15Å; Y674-S682 CarbonylContact O-C 3.59Å; Y674-F683 WeakPolarHBondContact CB-O 3.4Å; Y674-F683 PolarHBondContact N-O 2.84Å; Y674-F683 WeakPolarHBondContact O-CD2 3.37Å; Y674-F683 PolarHBondContact O-N 2.93Å
675	R	77.6	Confident	78.6	Confident	145 Å²	145	78.9 Å²	78.9	55%	0.547	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	150.1	172.6	-165.2	163.9	173.4	163.3	-8.4	110.5	L689	R675-L689 WeakPolarHBondContact O-CD1 3.47Å; R675-L689 VanDerWaalsContact O-CD2 3.25Å; R675-L689 WeakPolarHBondContact O-CD2 3.31Å
676	C	81.8	Confident	78.7	Confident	2 Å²	2	79.7 Å²	79.7	1%	0.014	41%	0.41	C	S	.	.			trans	-100.9	125.2	173.5	-175.6	0	0	0	0	110.5	V678 Y680 R681 F683 L689 H696	C676-V678 PolarHBondContact O-N 3.43Å; C676-Y680 WeakPolarHBondContact O-CA 3.46Å; C676-Y680 PolarHBondContact O-N 2.81Å; C676-R681 WeakPolarHBondContact CB-O 3.48Å; C676-R681 PolarHBondContact N-O 3.3Å; C676-F683 HydrophobicContact CB-CE2 4.36Å; C676-L689 HydrophobicContact CB-CD1 3.49Å; C676-L689 VanDerWaalsContact CB-CD1 3.49Å; C676-H696 PolarHBondContact SG-CD2 3.23Å
677	D	80.2	Confident	78.5	Confident	131 Å²	131	80.9 Å²	80.9	70%	0.701	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-11.6	-167.9	-38	-67.7	0	0	0	113.7
678	V	80.7	Confident	78.7	Confident	102 Å²	102	78.7 Å²	78.7	62%	0.618	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	-29	-177.3	-178.1	0	0	0	0	113.1	C676 H696	C676-V678 PolarHBondContact O-N 3.43Å; V678-H696 HydrophobicContact CB-CB 4.29Å; V678-H696 HydrophobicContact CG1-CB 4.08Å; V678-H696 HydrophobicContact CG2-CB 4.24Å
679	C	82.1	Confident	78.9	Confident	46 Å²	46	76.4 Å²	76.4	31%	0.311	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.3	6.2	-175	71.2	0	0	0	0	113.6	R681 H692 H696	C679-R681 PolarHBondContact O-N 3.23Å; C679-H692 PolarHBondContact SG-NE2 3.21Å; C679-H696 PolarHBondContact SG-NE2 3.13Å
680	Y	80.2	Confident	78.9	Confident	148 Å²	148	81.5 Å²	81.5	58%	0.58	41%	0.409	S	S	*	.			trans	55.3	8.2	178.5	-56.2	-56.4	0	0	0	117.6	C676 S682	C676-Y680 WeakPolarHBondContact O-CA 3.46Å; C676-Y680 PolarHBondContact O-N 2.81Å; Y680-S682 PolarHBondContact O-N 3.28Å
681	R	77.7	Confident	78.9	Confident	161 Å²	161	84.4 Å²	84.4	61%	0.608	41%	0.41	S	S	*	.			trans	-66.5	121.9	174.1	-63	-175.2	74	141.5	7	110.9	C676 C679 F683	C676-R681 WeakPolarHBondContact CB-O 3.48Å; C676-R681 PolarHBondContact N-O 3.3Å; C679-R681 PolarHBondContact O-N 3.23Å; R681-F683 HydrophobicContact CB-CE2 3.96Å; R681-F683 HydrophobicContact CB-CZ 4.06Å; R681-F683 VanDerWaalsContact O-CD2 3.31Å; R681-F683 WeakPolarHBondContact O-CD2 3.45Å; R681-F683 WeakPolarHBondContact O-CE2 3.37Å
682	S	76	Confident	79.1	Confident	38 Å²	38	82.1 Å²	82.1	27%	0.266	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	148.1	176.5	-54	0	0	0	0	113	R672 Y674 Y680	R672-S682 VanDerWaalsContact CZ-O 3.24Å; R672-S682 PolarHBondContact NE-O 2.78Å; R672-S682 PolarHBondContact NH2-O 3.46Å; Y674-S682 CarbonylContact O-C 3.59Å; Y680-S682 PolarHBondContact O-N 3.28Å
683	F	81.2	Confident	79	Confident	30 Å²	30	77.9 Å²	77.9	13%	0.132	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	146.4	179.5	-60.7	-86.6	0	0	0	111.5	R672 Y674 C676 R681 Q685 N688 L689 H692	R672-F683 CarbonylContact C-O 3.48Å; R672-F683 WeakPolarHBondContact CA-O 3.19Å; Y674-F683 WeakPolarHBondContact CB-O 3.4Å; Y674-F683 PolarHBondContact N-O 2.84Å; Y674-F683 WeakPolarHBondContact O-CD2 3.37Å; Y674-F683 PolarHBondContact O-N 2.93Å; C676-F683 HydrophobicContact CB-CE2 4.36Å; R681-F683 HydrophobicContact CB-CE2 3.96Å; R681-F683 HydrophobicContact CB-CZ 4.06Å; R681-F683 VanDerWaalsContact O-CD2 3.31Å; R681-F683 WeakPolarHBondContact O-CD2 3.45Å; R681-F683 WeakPolarHBondContact O-CE2 3.37Å; F683-Q685 VanDerWaalsContact C-N 3.26Å; F683-Q685 PolarHBondContact O-N 2.92Å; F683-N688 HydrophobicContact CB-CB 4.29Å; F683-N688 HydrophobicContact CD1-CB 4.05Å; F683-N688 HydrophobicContact CG-CB 4.39Å; F683-L689 HydrophobicContact CB-CB 4.4Å; F683-L689 HydrophobicContact CD2-CB 4.05Å; F683-L689 HydrophobicContact CD2-CD1 4.08Å; F683-L689 HydrophobicContact CE2-CD1 4.35Å; F683-L689 HydrophobicContact CG-CB 4.46Å; F683-H692 HydrophobicContact CE1-CB 4.17Å; F683-H692 HydrophobicContact CE2-CB 3.76Å; F683-H692 AromaticContact CE2-CD2 3.58Å; F683-H692 AromaticContact CE2-CG 3.63Å; F683-H692 HydrophobicContact CZ-CB 3.51Å; F683-H692 AromaticContact CZ-CD2 3.62Å; F683-H692 AromaticContact CZ-CG 3.28Å; F683-H692 AromaticContact CZ-ND1 3.7Å
684	S	78.6	Confident	79.1	Confident	30 Å²	30	77.4 Å²	77.4	21%	0.21	38%	0.378	C	S	.	.	S	Bend	trans	-78.4	-4.4	174.9	52.8	0	0	0	0	114
685	Q	81.6	Confident	78.4	Confident	56 Å²	56	76.6 Å²	76.6	26%	0.262	38%	0.38	S	S	.	.			trans	-143.8	135.3	-179.9	-51.3	-173.8	21.1	0	0	111.7	R663 F683 S687 N688 L689	R663-Q685 VanDerWaalsContact CD-CD 3.42Å; R663-Q685 HydrophobicContact CG-CG 4.04Å; F683-Q685 VanDerWaalsContact C-N 3.26Å; F683-Q685 PolarHBondContact O-N 2.92Å; Q685-S687 WeakPolarHBondContact CB-OG 3.47Å; Q685-S687 PolarHBondContact O-N 3.17Å; Q685-N688 HydrophobicContact CB-CB 4.35Å; Q685-N688 WeakPolarHBondContact O-CB 3.49Å; Q685-N688 PolarHBondContact O-N 3.43Å; Q685-L689 PolarHBondContact O-N 2.9Å
686	S	77.4	Confident	78.3	Confident	61 Å²	61	73 Å²	73	43%	0.427	37%	0.369	S	S	.	.	H	α-helix	trans	-65	-25	177.6	56.2	0	0	0	0	113.6	N688 R690	S686-N688 VanDerWaalsContact C-N 3.33Å; S686-R690 VanDerWaalsContact O-CB 3.31Å; S686-R690 WeakPolarHBondContact O-CB 3.43Å; S686-R690 PolarHBondContact O-N 2.88Å
687	S	78.1	Confident	77.7	Confident	63 Å²	63	75.1 Å²	75.1	44%	0.441	38%	0.384	S	S	.	.	H	α-helix	trans	-61.9	-40.9	168.2	48.4	0	0	0	0	112	Q685 R690 Q691	Q685-S687 WeakPolarHBondContact CB-OG 3.47Å; Q685-S687 PolarHBondContact O-N 3.17Å; S687-R690 PolarHBondContact O-N 3.21Å; S687-Q691 WeakPolarHBondContact O-CB 3.28Å; S687-Q691 PolarHBondContact O-N 2.94Å
688	N	81.9	Confident	76.7	Confident	61 Å²	61	74.9 Å²	74.9	33%	0.326	39%	0.393	S	S	.	.	H	α-helix	trans	-77.3	-39.2	-176.5	-59.1	13.1	0	0	0	109.7	F683 Q685 S686 Q691 H692	F683-N688 HydrophobicContact CB-CB 4.29Å; F683-N688 HydrophobicContact CD1-CB 4.05Å; F683-N688 HydrophobicContact CG-CB 4.39Å; Q685-N688 HydrophobicContact CB-CB 4.35Å; Q685-N688 WeakPolarHBondContact O-CB 3.49Å; Q685-N688 PolarHBondContact O-N 3.43Å; S686-N688 VanDerWaalsContact C-N 3.33Å; N688-Q691 PolarHBondContact O-N 3.31Å; N688-H692 VanDerWaalsContact O-CB 3.29Å; N688-H692 WeakPolarHBondContact O-CB 3.28Å; N688-H692 PolarHBondContact O-N 3.36Å
689	L	80.4	Confident	75.7	Confident	30 Å²	30	71.6 Å²	71.6	16%	0.157	38%	0.376	C	S	.	.	H	α-helix	trans	-57	-47.4	166.7	172.3	60.4	0	0	0	111.1	R675 C676 F683 Q685 Q691 H692 S693	R675-L689 WeakPolarHBondContact O-CD1 3.47Å; R675-L689 VanDerWaalsContact O-CD2 3.25Å; R675-L689 WeakPolarHBondContact O-CD2 3.31Å; C676-L689 HydrophobicContact CB-CD1 3.49Å; C676-L689 VanDerWaalsContact CB-CD1 3.49Å; F683-L689 HydrophobicContact CB-CB 4.4Å; F683-L689 HydrophobicContact CD2-CB 4.05Å; F683-L689 HydrophobicContact CD2-CD1 4.08Å; F683-L689 HydrophobicContact CE2-CD1 4.35Å; F683-L689 HydrophobicContact CG-CB 4.46Å; Q685-L689 PolarHBondContact O-N 2.9Å; L689-Q691 VanDerWaalsContact C-N 3.35Å; L689-Q691 PolarHBondContact O-N 3.37Å; L689-H692 CarbonylContact O-C 3.55Å; L689-H692 WeakPolarHBondContact O-CA 3.47Å; L689-H692 WeakPolarHBondContact O-CB 3.44Å; L689-H692 PolarHBondContact O-N 2.9Å; L689-S693 PolarHBondContact O-N 3.08Å; L689-S693 PolarHBondContact O-OG 2.85Å
690	R	76.5	Confident	74.5	Confident	180 Å²	180	75 Å²	75	68%	0.679	40%	0.398	S	S	*	.	H	α-helix	trans	-64.5	-37.1	178.6	-171.6	-179.9	-61.6	-174.4	-0.5	112.9	S686 S687 H692 S693 L694	S686-R690 VanDerWaalsContact O-CB 3.31Å; S686-R690 WeakPolarHBondContact O-CB 3.43Å; S686-R690 PolarHBondContact O-N 2.88Å; S687-R690 PolarHBondContact O-N 3.21Å; R690-H692 PolarHBondContact O-N 2.9Å; R690-S693 PolarHBondContact O-OG 3.36Å; R690-L694 WeakPolarHBondContact O-CG 3.2Å; R690-L694 PolarHBondContact O-N 2.86Å
691	Q	74.9	Confident	74	Confident	109 Å²	109	75 Å²	75	51%	0.509	40%	0.401	S	S	.	.	H	α-helix	trans	-67	-30.5	173.2	-164.6	-176.5	-8.3	0	0	111.6	S687 N688 L689 W713	S687-Q691 WeakPolarHBondContact O-CB 3.28Å; S687-Q691 PolarHBondContact O-N 2.94Å; N688-Q691 PolarHBondContact O-N 3.31Å; L689-Q691 VanDerWaalsContact C-N 3.35Å; L689-Q691 PolarHBondContact O-N 3.37Å; Q691-W713 HydrophobicContact CB-CH2 4.27Å; Q691-W713 HydrophobicContact CG-CH2 3.37Å; Q691-W713 HydrophobicContact CG-CZ2 3.68Å; Q691-W713 HydrophobicContact CG-CZ3 4Å; Q691-W713 WeakPolarHBondContact O-CH2 3.44Å; Q691-W713 WeakPolarHBondContact O-CZ2 3.49Å
692	H	79.1	Confident	73.8	Confident	27 Å²	27	70.6 Å²	70.6	13%	0.125	39%	0.389	C	S	.	.	H	α-helix	trans	-81.7	-39.8	177.2	-174.7	73.1	0	0	0	113.5	C679 F683 N688 L689 R690 L694 L695 H696	C679-H692 PolarHBondContact SG-NE2 3.21Å; F683-H692 HydrophobicContact CE1-CB 4.17Å; F683-H692 HydrophobicContact CE2-CB 3.76Å; F683-H692 AromaticContact CE2-CD2 3.58Å; F683-H692 AromaticContact CE2-CG 3.63Å; F683-H692 HydrophobicContact CZ-CB 3.51Å; F683-H692 AromaticContact CZ-CD2 3.62Å; F683-H692 AromaticContact CZ-CG 3.28Å; F683-H692 AromaticContact CZ-ND1 3.7Å; N688-H692 VanDerWaalsContact O-CB 3.29Å; N688-H692 WeakPolarHBondContact O-CB 3.28Å; N688-H692 PolarHBondContact O-N 3.36Å; L689-H692 CarbonylContact O-C 3.55Å; L689-H692 WeakPolarHBondContact O-CA 3.47Å; L689-H692 WeakPolarHBondContact O-CB 3.44Å; L689-H692 PolarHBondContact O-N 2.9Å; R690-H692 PolarHBondContact O-N 2.9Å; H692-L694 PolarHBondContact O-N 3.2Å; H692-L695 WeakPolarHBondContact O-CA 3.41Å; H692-L695 WeakPolarHBondContact O-CB 3.43Å; H692-L695 WeakPolarHBondContact O-CG 3.22Å; H692-L695 PolarHBondContact O-N 2.93Å; H692-H696 AromaticContact CD2-NE2 3.72Å; H692-H696 AromaticContact NE2-CE1 3.93Å; H692-H696 AromaticContact NE2-NE2 3.27Å; H692-H696 PolarHBondContact NE2-NE2 3.17Å
693	S	76.4	Confident	73.6	Confident	49 Å²	49	71.6 Å²	71.6	34%	0.343	40%	0.399	S	S	.	.	H	α-helix	trans	-66.3	-26.8	176.8	66.4	0	0	0	0	112	L689 R690 L695 H696 S697	L689-S693 PolarHBondContact O-N 3.08Å; L689-S693 PolarHBondContact O-OG 2.85Å; R690-S693 PolarHBondContact O-OG 3.36Å; S693-L695 PolarHBondContact O-N 2.91Å; S693-H696 PolarHBondContact O-N 3.07Å; S693-S697 PolarHBondContact O-N 2.96Å
694	L	76.8	Confident	73.4	Confident	63 Å²	63	70.5 Å²	70.5	33%	0.33	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-20	166.2	-79.4	169.3	0	0	0	113.5	R690 H692 H696 S697 A699 R712 W713	R690-L694 WeakPolarHBondContact O-CG 3.2Å; R690-L694 PolarHBondContact O-N 2.86Å; H692-L694 PolarHBondContact O-N 3.2Å; L694-H696 VanDerWaalsContact C-N 3.33Å; L694-S697 WeakPolarHBondContact CA-OG 3.49Å; L694-S697 PolarHBondContact O-OG 3.37Å; L694-A699 HydrophobicContact CD2-CB 4.38Å; L694-R712 WeakPolarHBondContact O-CD 3.47Å; L694-R712 PolarHBondContact O-NE 2.93Å; L694-R712 PolarHBondContact O-NH2 2.79Å; L694-W713 HydrophobicContact CB-CH2 3.77Å; L694-W713 HydrophobicContact CB-CZ2 4.38Å; L694-W713 HydrophobicContact CD1-CH2 3.6Å; L694-W713 HydrophobicContact CD1-CZ3 3.7Å; L694-W713 HydrophobicContact CG-CH2 4.34Å
695	L	68.3	Low	73.2	Confident	76 Å²	76	73.7 Å²	73.7	40%	0.398	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-21.9	171.2	-56.1	-178.5	0	0	0	113.4	H692 S693 R712 W713	H692-L695 WeakPolarHBondContact O-CA 3.41Å; H692-L695 WeakPolarHBondContact O-CB 3.43Å; H692-L695 WeakPolarHBondContact O-CG 3.22Å; H692-L695 PolarHBondContact O-N 2.93Å; S693-L695 PolarHBondContact O-N 2.91Å; L695-R712 VanDerWaalsContact C-NH2 3.26Å; L695-R712 VanDerWaalsContact CA-CZ 3.48Å; L695-R712 PolarHBondContact O-NH1 3.33Å; L695-R712 PolarHBondContact O-NH2 2.75Å; L695-W713 HydrophobicContact CD2-CZ2 4.42Å
696	H	74.4	Confident	72.7	Confident	70 Å²	70	75 Å²	75	32%	0.324	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	-36.5	177.8	-56.2	-49.7	0	0	0	111.9	C676 V678 C679 H692 S693 L694	C676-H696 PolarHBondContact SG-CD2 3.23Å; V678-H696 HydrophobicContact CB-CB 4.29Å; V678-H696 HydrophobicContact CG1-CB 4.08Å; V678-H696 HydrophobicContact CG2-CB 4.24Å; C679-H696 PolarHBondContact SG-NE2 3.13Å; H692-H696 AromaticContact CD2-NE2 3.72Å; H692-H696 AromaticContact NE2-CE1 3.93Å; H692-H696 AromaticContact NE2-NE2 3.27Å; H692-H696 PolarHBondContact NE2-NE2 3.17Å; S693-H696 PolarHBondContact O-N 3.07Å; L694-H696 VanDerWaalsContact C-N 3.33Å
697	S	68.8	Low	72.8	Confident	47 Å²	47	74 Å²	74	33%	0.329	41%	0.414	S	S	.	.	S	Bend	trans	-63.4	137.5	175.8	66.7	0	0	0	0	112	S693 L694 A699 R712	S693-S697 PolarHBondContact O-N 2.96Å; L694-S697 WeakPolarHBondContact CA-OG 3.49Å; L694-S697 PolarHBondContact O-OG 3.37Å; S697-A699 PolarHBondContact O-N 3.19Å; S697-R712 PolarHBondContact O-NH2 2.92Å
698	S	59.7	Low	72.6	Confident	126 Å²	126	77.3 Å²	77.3	88%	0.881	43%	0.434	S	S	*	.			trans	-69.3	31.2	171.4	49.2	0	0	0	0	114
699	A	59.2	Low	72.3	Confident	32 Å²	32	75.8 Å²	75.8	26%	0.264	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-54.6	141.9	178.9	0	0	0	0	0	111.6	L694 S697 K701	L694-A699 HydrophobicContact CD2-CB 4.38Å; S697-A699 PolarHBondContact O-N 3.19Å; A699-K701 PolarHBondContact O-N 3.06Å; A699-K701 VanDerWaalsContact O-N 3.15Å
700	P	57	Low	72	Confident	119 Å²	119	77.9 Å²	77.9	77%	0.773	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-57.8	120.9	-173.3	22.5	-33.7	0	0	0	110.9	L702	P700-L702 PolarHBondContact O-N 3.15Å
701	K	69.4	Low	71.9	Confident	146 Å²	146	71.3 Å²	71.3	64%	0.635	42%	0.421	S	S	*	.	P	Polyproline II helix	trans	-71.3	122.7	175.8	-47.8	175	-172.9	170.2	0	107.6	A699 A703	A699-K701 PolarHBondContact O-N 3.06Å; A699-K701 VanDerWaalsContact O-N 3.15Å; K701-A703 PolarHBondContact O-N 2.85Å
702	L	73.2	Confident	71.6	Confident	70 Å²	70	70.8 Å²	70.8	37%	0.366	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	102.6	175.2	-57.5	169.7	0	0	0	108.2	P700 F711 P714 L717	P700-L702 PolarHBondContact O-N 3.15Å; L702-F711 WeakPolarHBondContact CB-O 3.29Å; L702-F711 PolarHBondContact N-O 3.25Å; L702-F711 PolarHBondContact O-N 3.17Å; L702-P714 HydrophobicContact CD1-CB 4.29Å; L702-P714 HydrophobicContact CD1-CG 3.7Å; L702-L717 HydrophobicContact CB-CD2 3.92Å
703	A	73.6	Confident	71.4	Confident	58 Å²	58	72.9 Å²	72.9	48%	0.479	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	149.9	174	0	0	0	0	0	110.9	K701 T710	K701-A703 PolarHBondContact O-N 2.85Å; A703-T710 HydrophobicContact CB-CG2 4.2Å
704	C	76.6	Confident	71.1	Confident	8 Å²	8	74.4 Å²	74.4	5%	0.054	43%	0.43	C	S	.	.			trans	-73.7	134.7	158	-164.5	0	0	0	0	108.8	E706 C707 A709 L717 R721 H725	C704-E706 PolarHBondContact O-N 2.8Å; C704-C707 WeakPolarHBondContact CB-O 3.49Å; C704-A709 PolarHBondContact N-O 3.44Å; C704-L717 HydrophobicContact CB-CD1 3.86Å; C704-R721 VanDerWaalsContact SG-CG 3.53Å; C704-H725 VanDerWaalsContact SG-CD2 3.56Å; C704-H725 PolarHBondContact SG-NE2 2.92Å
705	P	74.1	Confident	70.8	Confident	97 Å²	97	78 Å²	78	63%	0.63	45%	0.449	S	S	*	.	S	Bend	trans	-73.2	-9.8	172.5	30.6	-35	0	0	0	112.8
706	E	71.1	Confident	71	Confident	84 Å²	84	80.8 Å²	80.8	39%	0.393	46%	0.458	S	S	.	.	S	Bend	trans	-111.7	-4.5	-173.4	-66	155.6	-91.2	0	0	113.2	C704 R721 H725	C704-E706 PolarHBondContact O-N 2.8Å; E706-R721 IonicContact OE1-CZ 3.73Å; E706-R721 IonicContact OE1-NE 2.63Å; E706-R721 PolarHBondContact OE1-NE 3.09Å; E706-R721 IonicContact OE1-NH2 2.82Å; E706-R721 PolarHBondContact OE1-NH2 3.5Å; E706-H725 VanDerWaalsContact CB-CE1 3.44Å; E706-H725 WeakPolarHBondContact CB-CE1 3.22Å; E706-H725 WeakPolarHBondContact CB-NE2 3.31Å; E706-H725 PolarHBondContact O-CE1 2.69Å; E706-H725 VanDerWaalsContact OE2-CB 3.25Å; E706-H725 WeakPolarHBondContact OE2-CB 3.37Å; E706-H725 IonicContact OE2-CD2 2.67Å; E706-H725 IonicContact OE2-CG 3.23Å
707	C	78.8	Confident	71.1	Confident	38 Å²	38	78.6 Å²	78.6	26%	0.257	45%	0.449	S	S	.	.	S	Bend	trans	-163.8	162.8	171.7	70.6	0	0	0	0	111.8	C704 A709 H720 H725	C704-C707 WeakPolarHBondContact CB-O 3.49Å; C707-A709 PolarHBondContact O-N 3.37Å; C707-A709 VanDerWaalsContact SG-CB 3.59Å; C707-H720 VanDerWaalsContact SG-CE1 3.55Å; C707-H720 PolarHBondContact SG-NE2 3.32Å; C707-H725 PolarHBondContact SG-NE2 3.3Å; C707-H725 VanDerWaalsContact SG-NE2 3.43Å
708	P	74.4	Confident	71.2	Confident	133 Å²	133	78.2 Å²	78.2	86%	0.864	45%	0.449	S	S	*	.	S	Bend	trans	-68.8	8	-179.2	27.9	-36.9	0	0	0	115.7
709	A	75.2	Confident	71.9	Confident	30 Å²	30	73.3 Å²	73.3	25%	0.248	42%	0.416	C	S	.	.			trans	-72.1	130.3	178.4	0	0	0	0	0	111.5	C704 C707 F711	C704-A709 PolarHBondContact N-O 3.44Å; C707-A709 PolarHBondContact O-N 3.37Å; C707-A709 VanDerWaalsContact SG-CB 3.59Å; A709-F711 HydrophobicContact CB-CE2 3.55Å; A709-F711 HydrophobicContact CB-CZ 3.7Å; A709-F711 WeakPolarHBondContact O-CE2 3.21Å
710	T	75.1	Confident	72.7	Confident	73 Å²	73	73.1 Å²	73.1	45%	0.448	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	135.5	-175.9	60.9	0	0	0	0	112.1	A703	A703-T710 HydrophobicContact CB-CG2 4.2Å
711	F	73.7	Confident	73.5	Confident	43 Å²	43	71.6 Å²	71.6	19%	0.189	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	138.6	-167.5	-61.9	-84.5	0	0	0	112.7	L702 A709 W713 K716 L717 H720	L702-F711 WeakPolarHBondContact CB-O 3.29Å; L702-F711 PolarHBondContact N-O 3.25Å; L702-F711 PolarHBondContact O-N 3.17Å; A709-F711 HydrophobicContact CB-CE2 3.55Å; A709-F711 HydrophobicContact CB-CZ 3.7Å; A709-F711 WeakPolarHBondContact O-CE2 3.21Å; F711-W713 VanDerWaalsContact C-N 3.32Å; F711-W713 PolarHBondContact O-N 3.17Å; F711-K716 HydrophobicContact CD1-CB 4.04Å; F711-L717 HydrophobicContact CB-CB 3.99Å; F711-L717 HydrophobicContact CD2-CB 4.05Å; F711-L717 HydrophobicContact CD2-CD1 3.68Å; F711-L717 HydrophobicContact CD2-CG 4.46Å; F711-L717 HydrophobicContact CE2-CD1 4.1Å; F711-L717 HydrophobicContact CG-CB 4.12Å; F711-H720 HydrophobicContact CE1-CB 3.76Å; F711-H720 HydrophobicContact CE2-CB 3.9Å; F711-H720 AromaticContact CE2-CD2 3.28Å; F711-H720 WeakPolarHBondContact CE2-CD2 3.49Å; F711-H720 AromaticContact CE2-CG 3.51Å; F711-H720 AromaticContact CE2-NE2 3.8Å; F711-H720 HydrophobicContact CZ-CB 3.39Å; F711-H720 AromaticContact CZ-CD2 3.47Å; F711-H720 VanDerWaalsContact CZ-CD2 3.47Å; F711-H720 WeakPolarHBondContact CZ-CD2 3.25Å; F711-H720 AromaticContact CZ-CG 3.15Å; F711-H720 AromaticContact CZ-ND1 3.54Å; F711-H720 AromaticContact CZ-NE2 3.97Å
712	R	69.2	Low	73.6	Confident	97 Å²	97	67.8 Å²	67.8	37%	0.366	37%	0.372	S	S	.	.	S	Bend	trans	-82.6	-5	178.6	-130.5	173.6	-159.2	147.2	-8.2	115	L694 L695 S697	L694-R712 WeakPolarHBondContact O-CD 3.47Å; L694-R712 PolarHBondContact O-NE 2.93Å; L694-R712 PolarHBondContact O-NH2 2.79Å; L695-R712 VanDerWaalsContact C-NH2 3.26Å; L695-R712 VanDerWaalsContact CA-CZ 3.48Å; L695-R712 PolarHBondContact O-NH1 3.33Å; L695-R712 PolarHBondContact O-NH2 2.75Å; S697-R712 PolarHBondContact O-NH2 2.92Å
713	W	73.7	Confident	73.4	Confident	72 Å²	72	68 Å²	68	27%	0.273	38%	0.375	S	S	.	.	S	Bend	trans	-143.1	131.2	-171.3	-49.8	104.5	0	0	0	110.8	Q691 L694 L695 F711 N715 K716 L717	Q691-W713 HydrophobicContact CB-CH2 4.27Å; Q691-W713 HydrophobicContact CG-CH2 3.37Å; Q691-W713 HydrophobicContact CG-CZ2 3.68Å; Q691-W713 HydrophobicContact CG-CZ3 4Å; Q691-W713 WeakPolarHBondContact O-CH2 3.44Å; Q691-W713 WeakPolarHBondContact O-CZ2 3.49Å; L694-W713 HydrophobicContact CB-CH2 3.77Å; L694-W713 HydrophobicContact CB-CZ2 4.38Å; L694-W713 HydrophobicContact CD1-CH2 3.6Å; L694-W713 HydrophobicContact CD1-CZ3 3.7Å; L694-W713 HydrophobicContact CG-CH2 4.34Å; L695-W713 HydrophobicContact CD2-CZ2 4.42Å; F711-W713 VanDerWaalsContact C-N 3.32Å; F711-W713 PolarHBondContact O-N 3.17Å; W713-N715 VanDerWaalsContact C-N 3.26Å; W713-N715 PolarHBondContact O-N 3.15Å; W713-K716 HydrophobicContact CB-CB 4.18Å; W713-K716 HydrophobicContact CB-CG 4.18Å; W713-K716 PolarHBondContact O-N 2.73Å; W713-L717 PolarHBondContact O-N 3.09Å; W713-L717 VanDerWaalsContact O-N 3.08Å
714	P	71.1	Confident	73.1	Confident	81 Å²	81	71 Å²	71	53%	0.526	38%	0.38	S	S	.	.	H	α-helix	trans	-53.5	-42.8	176.7	-27.2	33.8	0	0	0	112.7	L702 K716 L717 A718	L702-P714 HydrophobicContact CD1-CB 4.29Å; L702-P714 HydrophobicContact CD1-CG 3.7Å; P714-K716 PolarHBondContact O-N 3.25Å; P714-L717 PolarHBondContact O-N 3.2Å; P714-A718 WeakPolarHBondContact O-CB 3.43Å; P714-A718 PolarHBondContact O-N 3.48Å
715	N	70.5	Confident	72.9	Confident	139 Å²	139	72.1 Å²	72.1	74%	0.743	38%	0.384	S	S	*	.	H	α-helix	trans	-64	-24.4	179.1	-58.7	12.7	0	0	0	113.1	W713 A719	W713-N715 VanDerWaalsContact C-N 3.26Å; W713-N715 PolarHBondContact O-N 3.15Å; N715-A719 WeakPolarHBondContact O-CB 3.44Å; N715-A719 PolarHBondContact O-N 2.88Å
716	K	72.8	Confident	72	Confident	133 Å²	133	73.9 Å²	73.9	58%	0.578	40%	0.396	S	S	*	.	H	α-helix	trans	-85.1	-37.4	175.5	-74.7	-68.9	-171.8	174.9	0	111.8	F711 W713 P714 H720	F711-K716 HydrophobicContact CD1-CB 4.04Å; W713-K716 HydrophobicContact CB-CB 4.18Å; W713-K716 HydrophobicContact CB-CG 4.18Å; W713-K716 PolarHBondContact O-N 2.73Å; P714-K716 PolarHBondContact O-N 3.25Å; K716-H720 VanDerWaalsContact O-CB 3.28Å; K716-H720 WeakPolarHBondContact O-CB 3.26Å; K716-H720 PolarHBondContact O-N 3.29Å
717	L	76.3	Confident	71.4	Confident	25 Å²	25	74 Å²	74	13%	0.131	42%	0.419	C	S	.	.	H	α-helix	trans	-62.1	-48.7	170.1	173.8	58.6	0	0	0	111.3	L702 C704 F711 W713 P714 A719 H720 R721	L702-L717 HydrophobicContact CB-CD2 3.92Å; C704-L717 HydrophobicContact CB-CD1 3.86Å; F711-L717 HydrophobicContact CB-CB 3.99Å; F711-L717 HydrophobicContact CD2-CB 4.05Å; F711-L717 HydrophobicContact CD2-CD1 3.68Å; F711-L717 HydrophobicContact CD2-CG 4.46Å; F711-L717 HydrophobicContact CE2-CD1 4.1Å; F711-L717 HydrophobicContact CG-CB 4.12Å; W713-L717 PolarHBondContact O-N 3.09Å; W713-L717 VanDerWaalsContact O-N 3.08Å; P714-L717 PolarHBondContact O-N 3.2Å; L717-A719 VanDerWaalsContact C-N 3.33Å; L717-A719 PolarHBondContact O-N 3.29Å; L717-H720 PolarHBondContact O-N 3Å; L717-R721 HydrophobicContact CD1-CG 3.98Å; L717-R721 WeakPolarHBondContact O-CG 3.34Å; L717-R721 PolarHBondContact O-N 3.49Å
718	A	70.1	Confident	70.5	Confident	39 Å²	39	72.9 Å²	72.9	32%	0.322	41%	0.413	S	S	.	.	H	α-helix	trans	-63	-39.3	179.1	0	0	0	0	0	112.1	P714 F722 P731	P714-A718 WeakPolarHBondContact O-CB 3.43Å; P714-A718 PolarHBondContact O-N 3.48Å; A718-F722 PolarHBondContact O-N 3.23Å; A718-P731 HydrophobicContact CB-CG 4.06Å
719	A	74.5	Confident	69.9	Low	23 Å²	23	72.1 Å²	72.1	19%	0.19	41%	0.408	C	S	.	.	H	α-helix	trans	-64.3	-44.8	172.7	0	0	0	0	0	112.3	N715 L717 T723 L742	N715-A719 WeakPolarHBondContact O-CB 3.44Å; N715-A719 PolarHBondContact O-N 2.88Å; L717-A719 VanDerWaalsContact C-N 3.33Å; L717-A719 PolarHBondContact O-N 3.29Å; A719-T723 WeakPolarHBondContact O-CG2 3.27Å; A719-T723 PolarHBondContact O-N 3.4Å; A719-T723 VanDerWaalsContact O-N 3.17Å; A719-T723 PolarHBondContact O-OG1 3.37Å; A719-T723 VanDerWaalsContact O-OG1 3.13Å; A719-L742 VanDerWaalsContact CA-CD2 3.48Å; A719-L742 HydrophobicContact CB-CD2 3.68Å
720	H	76.5	Confident	69.6	Low	27 Å²	27	71.7 Å²	71.7	13%	0.125	41%	0.405	C	S	.	.	H	α-helix	trans	-59.8	-51.3	176.4	159.5	76.8	0	0	0	111.6	C707 F711 K716 L717 F722 T723 Q724 H725	C707-H720 VanDerWaalsContact SG-CE1 3.55Å; C707-H720 PolarHBondContact SG-NE2 3.32Å; F711-H720 HydrophobicContact CE1-CB 3.76Å; F711-H720 HydrophobicContact CE2-CB 3.9Å; F711-H720 AromaticContact CE2-CD2 3.28Å; F711-H720 WeakPolarHBondContact CE2-CD2 3.49Å; F711-H720 AromaticContact CE2-CG 3.51Å; F711-H720 AromaticContact CE2-NE2 3.8Å; F711-H720 HydrophobicContact CZ-CB 3.39Å; F711-H720 AromaticContact CZ-CD2 3.47Å; F711-H720 VanDerWaalsContact CZ-CD2 3.47Å; F711-H720 WeakPolarHBondContact CZ-CD2 3.25Å; F711-H720 AromaticContact CZ-CG 3.15Å; F711-H720 AromaticContact CZ-ND1 3.54Å; F711-H720 AromaticContact CZ-NE2 3.97Å; K716-H720 VanDerWaalsContact O-CB 3.28Å; K716-H720 WeakPolarHBondContact O-CB 3.26Å; K716-H720 PolarHBondContact O-N 3.29Å; L717-H720 PolarHBondContact O-N 3Å; H720-F722 VanDerWaalsContact C-N 3.35Å; H720-F722 PolarHBondContact O-N 3.12Å; H720-T723 WeakPolarHBondContact CA-OG1 3.39Å; H720-T723 CarbonylContact O-C 3.3Å; H720-T723 PolarHBondContact O-N 3.22Å; H720-T723 PolarHBondContact O-OG1 2.92Å; H720-Q724 WeakPolarHBondContact ND1-CG 3.27Å; H720-Q724 PolarHBondContact O-N 3.02Å; H720-H725 AromaticContact NE2-NE2 3.67Å
721	R	73.7	Confident	69.4	Low	87 Å²	87	70.2 Å²	70.2	33%	0.328	40%	0.396	S	S	.	.	H	α-helix	trans	-54.4	-49.8	179.7	-72.4	179.4	83.6	178.6	-0.5	111.3	C704 E706 L717 T723 Q724 H725 A728	C704-R721 VanDerWaalsContact SG-CG 3.53Å; E706-R721 IonicContact OE1-CZ 3.73Å; E706-R721 IonicContact OE1-NE 2.63Å; E706-R721 PolarHBondContact OE1-NE 3.09Å; E706-R721 IonicContact OE1-NH2 2.82Å; E706-R721 PolarHBondContact OE1-NH2 3.5Å; L717-R721 HydrophobicContact CD1-CG 3.98Å; L717-R721 WeakPolarHBondContact O-CG 3.34Å; L717-R721 PolarHBondContact O-N 3.49Å; R721-T723 PolarHBondContact O-N 2.93Å; R721-Q724 PolarHBondContact O-N 3.07Å; R721-H725 WeakPolarHBondContact O-CB 3.49Å; R721-H725 PolarHBondContact O-N 2.78Å; R721-A728 HydrophobicContact CB-CB 4.08Å
722	F	71.4	Confident	69.5	Low	67 Å²	67	71.6 Å²	71.6	29%	0.294	40%	0.402	S	S	.	.	H	α-helix	trans	-61	-26.4	176	-177.7	-104.7	0	0	0	114.8	A718 H720 A730 P731 G740 L742	A718-F722 PolarHBondContact O-N 3.23Å; H720-F722 VanDerWaalsContact C-N 3.35Å; H720-F722 PolarHBondContact O-N 3.12Å; F722-A730 HydrophobicContact CD2-CB 3.74Å; F722-A730 HydrophobicContact CE2-CB 3.58Å; F722-A730 HydrophobicContact CZ-CB 4.31Å; F722-P731 HydrophobicContact CB-CG 4.42Å; F722-G740 VanDerWaalsContact CZ-C 3.41Å; F722-G740 VanDerWaalsContact CZ-O 3.23Å; F722-G740 WeakPolarHBondContact CZ-O 3.44Å; F722-L742 HydrophobicContact CB-CD2 4.22Å; F722-L742 HydrophobicContact CD1-CD2 3.59Å; F722-L742 HydrophobicContact CD1-CG 3.88Å; F722-L742 HydrophobicContact CE1-CD2 4.48Å; F722-L742 HydrophobicContact CE1-CG 4.32Å; F722-L742 HydrophobicContact CG-CD2 4.32Å
723	T	69.5	Low	69.7	Low	73 Å²	73	70.6 Å²	70.6	45%	0.448	41%	0.408	S	S	.	.	H	α-helix	trans	-94	-18.3	179.3	56.1	0	0	0	0	115.6	A719 H720 R721 L742	A719-T723 WeakPolarHBondContact O-CG2 3.27Å; A719-T723 PolarHBondContact O-N 3.4Å; A719-T723 VanDerWaalsContact O-N 3.17Å; A719-T723 PolarHBondContact O-OG1 3.37Å; A719-T723 VanDerWaalsContact O-OG1 3.13Å; H720-T723 WeakPolarHBondContact CA-OG1 3.39Å; H720-T723 CarbonylContact O-C 3.3Å; H720-T723 PolarHBondContact O-N 3.22Å; H720-T723 PolarHBondContact O-OG1 2.92Å; R721-T723 PolarHBondContact O-N 2.93Å; T723-L742 HydrophobicContact CG2-CD1 3.91Å; T723-L742 HydrophobicContact CG2-CD2 4.16Å
724	Q	65.9	Low	69.8	Low	122 Å²	122	67.7 Å²	67.7	57%	0.57	40%	0.399	S	S	*	.	H	α-helix	trans	-123.9	-14.9	-171	-58.2	-57.7	-38	0	0	113.8	H720 R721	H720-Q724 WeakPolarHBondContact ND1-CG 3.27Å; H720-Q724 PolarHBondContact O-N 3.02Å; R721-Q724 PolarHBondContact O-N 3.07Å
725	H	72.6	Confident	69.8	Low	31 Å²	31	68.6 Å²	68.6	14%	0.144	41%	0.405	C	S	.	.	S	Bend	trans	-122.9	102.9	-179.4	-61.3	-55	0	0	0	110.5	C704 E706 C707 H720 R721 G727 A728	C704-H725 VanDerWaalsContact SG-CD2 3.56Å; C704-H725 PolarHBondContact SG-NE2 2.92Å; E706-H725 VanDerWaalsContact CB-CE1 3.44Å; E706-H725 WeakPolarHBondContact CB-CE1 3.22Å; E706-H725 WeakPolarHBondContact CB-NE2 3.31Å; E706-H725 PolarHBondContact O-CE1 2.69Å; E706-H725 VanDerWaalsContact OE2-CB 3.25Å; E706-H725 WeakPolarHBondContact OE2-CB 3.37Å; E706-H725 IonicContact OE2-CD2 2.67Å; E706-H725 IonicContact OE2-CG 3.23Å; C707-H725 PolarHBondContact SG-NE2 3.3Å; C707-H725 VanDerWaalsContact SG-NE2 3.43Å; H720-H725 AromaticContact NE2-NE2 3.67Å; R721-H725 WeakPolarHBondContact O-CB 3.49Å; R721-H725 PolarHBondContact O-N 2.78Å; H725-G727 PolarHBondContact O-N 3.09Å; H725-A728 HydrophobicContact CB-CB 4.18Å; H725-A728 VanDerWaalsContact O-CB 3.31Å; H725-A728 WeakPolarHBondContact O-CB 3.31Å; H725-A728 PolarHBondContact O-N 2.71Å; H725-A728 VanDerWaalsContact O-N 3.14Å
726	P	56.3	Low	69.8	Low	134 Å²	134	66.5 Å²	66.5	87%	0.87	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	131.5	175	-24.6	34.9	0	0	0	111.3
727	G	58.7	Low	70.1	Confident	86 Å²	86	62.6 Å²	62.6	89%	0.887	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	90	-10	-176.4	0	0	0	0	0	115.3	H725	H725-G727 PolarHBondContact O-N 3.09Å
728	A	60.3	Low	69.8	Low	15 Å²	15	71 Å²	71	12%	0.124	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-65.1	130.4	174.2	0	0	0	0	0	111.4	R721 H725 A730	R721-A728 HydrophobicContact CB-CB 4.08Å; H725-A728 HydrophobicContact CB-CB 4.18Å; H725-A728 VanDerWaalsContact O-CB 3.31Å; H725-A728 WeakPolarHBondContact O-CB 3.31Å; H725-A728 PolarHBondContact O-N 2.71Å; H725-A728 VanDerWaalsContact O-N 3.14Å; A728-A730 PolarHBondContact O-N 3.32Å
729	P	61.7	Low	69.7	Low	117 Å²	117	70.5 Å²	70.5	76%	0.76	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-64.1	134.3	-174.6	24.6	-34	0	0	0	111.8
730	A	69.1	Low	69.7	Low	22 Å²	22	70.4 Å²	70.4	18%	0.182	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-62.4	141.2	-176.3	0	0	0	0	0	112.4	F722 A728 F732 P733	F722-A730 HydrophobicContact CD2-CB 3.74Å; F722-A730 HydrophobicContact CE2-CB 3.58Å; F722-A730 HydrophobicContact CZ-CB 4.31Å; A728-A730 PolarHBondContact O-N 3.32Å; A730-F732 PolarHBondContact O-N 3.15Å; A730-P733 HydrophobicContact CB-CB 4.35Å; A730-P733 WeakPolarHBondContact O-CD 3.43Å
731	P	70.8	Confident	69.8	Low	42 Å²	42	70.9 Å²	70.9	27%	0.273	42%	0.417	S	S	.	.	S	Bend	trans	-60.7	-29.8	175	-24.8	34.3	0	0	0	113.2	A718 F722	A718-P731 HydrophobicContact CB-CG 4.06Å; F722-P731 HydrophobicContact CB-CG 4.42Å
732	F	74.3	Confident	69.7	Low	72 Å²	72	69.8 Å²	69.8	32%	0.316	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	85.1	174.2	-55.7	-81.7	0	0	0	109.6	A730 F741 T743 K744 R747	A730-F732 PolarHBondContact O-N 3.15Å; F732-F741 HydrophobicContact CB-CB 4.48Å; F732-F741 PolarHBondContact N-O 3.17Å; F732-F741 WeakPolarHBondContact O-CB 3.47Å; F732-F741 PolarHBondContact O-N 2.75Å; F732-T743 VanDerWaalsContact CD2-CA 3.44Å; F732-K744 HydrophobicContact CD1-CB 3.78Å; F732-K744 HydrophobicContact CD1-CG 4.5Å; F732-K744 VanDerWaalsContact CD2-N 3.29Å; F732-K744 HydrophobicContact CE1-CB 3.81Å; F732-K744 HydrophobicContact CG-CB 4.22Å; F732-K744 HydrophobicContact CZ-CB 4.27Å; F732-R747 HydrophobicContact CB-CB 4.32Å
733	P	73.4	Confident	69.7	Low	76 Å²	76	69.5 Å²	69.5	49%	0.494	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	149.5	174.5	31.2	-33.5	0	0	0	110.3	A730 R747	A730-P733 HydrophobicContact CB-CB 4.35Å; A730-P733 WeakPolarHBondContact O-CD 3.43Å; P733-R747 WeakPolarHBondContact O-CD 3.23Å
734	C	75.4	Confident	69.8	Low	10 Å²	10	71.3 Å²	71.3	7%	0.068	42%	0.423	C	S	.	.			trans	-66.1	136.7	165.6	-170.6	0	0	0	0	109.6	Q736 C737 A739 F741 H755	C734-Q736 PolarHBondContact O-N 2.82Å; C734-Q736 PolarHBondContact SG-N 3.18Å; C734-C737 WeakPolarHBondContact CB-O 3.32Å; C734-C737 VanDerWaalsContact O-O 3.08Å; C734-A739 HydrophobicContact CB-CB 4.45Å; C734-A739 WeakPolarHBondContact CB-O 3.37Å; C734-A739 PolarHBondContact N-O 3.08Å; C734-F741 HydrophobicContact CB-CE2 4.38Å; C734-H755 PolarHBondContact SG-CD2 3.5Å; C734-H755 PolarHBondContact SG-NE2 2.81Å
735	P	72.3	Confident	69.9	Low	101 Å²	101	69.7 Å²	69.7	66%	0.656	43%	0.425	S	S	*	.	S	Bend	trans	-79.6	1.1	173.6	33.4	-35.9	0	0	0	113.4
736	Q	70.8	Confident	70	Confident	95 Å²	95	72.8 Å²	72.8	44%	0.444	44%	0.439	S	S	.	.	S	Bend	trans	-130.4	-2.2	-169.7	-71.2	164.7	-50.5	0	0	113.4	C734 H755	C734-Q736 PolarHBondContact O-N 2.82Å; C734-Q736 PolarHBondContact SG-N 3.18Å; Q736-H755 HydrophobicContact CB-CB 4.33Å; Q736-H755 PolarHBondContact O-CE1 3.24Å; Q736-H755 VanDerWaalsContact OE1-CB 3.32Å
737	C	78.4	Confident	71.1	Confident	51 Å²	51	69.1 Å²	69.1	35%	0.345	41%	0.408	S	S	.	.	S	Bend	trans	-163.5	175.5	168.7	68.9	0	0	0	0	110.1	C734 A739 H750 H755	C734-C737 WeakPolarHBondContact CB-O 3.32Å; C734-C737 VanDerWaalsContact O-O 3.08Å; C737-A739 PolarHBondContact O-N 3.33Å; C737-A739 VanDerWaalsContact O-N 3.15Å; C737-A739 WeakPolarHBondContact SG-CB 3.46Å; C737-A739 PolarHBondContact SG-N 2.86Å; C737-H750 PolarHBondContact SG-NE2 3.14Å; C737-H755 PolarHBondContact SG-NE2 3.02Å
738	E	70	Confident	71.9	Confident	200 Å²	200	69 Å²	69	94%	0.935	39%	0.385	S	S	*	.	S	Bend	trans	-72.8	-0.9	-179	-60.4	175.2	173.8	0	0	114.2	G740	E738-G740 PolarHBondContact O-N 3.19Å
739	A	68.9	Low	72.4	Confident	30 Å²	30	71.1 Å²	71.1	25%	0.248	40%	0.398	C	S	.	.			trans	-67.3	116.3	-175.9	0	0	0	0	0	112.5	C734 C737 F741	C734-A739 HydrophobicContact CB-CB 4.45Å; C734-A739 WeakPolarHBondContact CB-O 3.37Å; C734-A739 PolarHBondContact N-O 3.08Å; C737-A739 PolarHBondContact O-N 3.33Å; C737-A739 VanDerWaalsContact O-N 3.15Å; C737-A739 WeakPolarHBondContact SG-CB 3.46Å; C737-A739 PolarHBondContact SG-N 2.86Å; A739-F741 HydrophobicContact CB-CE2 3.62Å; A739-F741 HydrophobicContact CB-CZ 3.72Å; A739-F741 WeakPolarHBondContact O-CD2 3.48Å; A739-F741 VanDerWaalsContact O-CE2 3.23Å; A739-F741 WeakPolarHBondContact O-CE2 3.31Å
740	G	74.6	Confident	73.2	Confident	20 Å²	20	67.2 Å²	67.2	21%	0.206	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	142.7	175.4	0	0	0	0	0	113.7	F722 E738	F722-G740 VanDerWaalsContact CZ-C 3.41Å; F722-G740 VanDerWaalsContact CZ-O 3.23Å; F722-G740 WeakPolarHBondContact CZ-O 3.44Å; E738-G740 PolarHBondContact O-N 3.19Å
741	F	76.9	Confident	73.7	Confident	38 Å²	38	67.2 Å²	67.2	17%	0.167	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	145.7	177.9	-59.7	-82.9	0	0	0	113.7	F732 C734 A739 T743 Q746 R747 H750	F732-F741 HydrophobicContact CB-CB 4.48Å; F732-F741 PolarHBondContact N-O 3.17Å; F732-F741 WeakPolarHBondContact O-CB 3.47Å; F732-F741 PolarHBondContact O-N 2.75Å; C734-F741 HydrophobicContact CB-CE2 4.38Å; A739-F741 HydrophobicContact CB-CE2 3.62Å; A739-F741 HydrophobicContact CB-CZ 3.72Å; A739-F741 WeakPolarHBondContact O-CD2 3.48Å; A739-F741 VanDerWaalsContact O-CE2 3.23Å; A739-F741 WeakPolarHBondContact O-CE2 3.31Å; F741-T743 VanDerWaalsContact C-N 3.34Å; F741-Q746 HydrophobicContact CB-CB 4.21Å; F741-Q746 HydrophobicContact CD1-CB 3.88Å; F741-Q746 HydrophobicContact CG-CB 4.33Å; F741-R747 HydrophobicContact CB-CB 3.95Å; F741-R747 HydrophobicContact CD2-CB 3.62Å; F741-R747 HydrophobicContact CD2-CG 3.82Å; F741-R747 HydrophobicContact CE2-CB 4.46Å; F741-R747 HydrophobicContact CE2-CG 4.4Å; F741-R747 HydrophobicContact CG-CB 3.9Å; F741-H750 HydrophobicContact CE1-CB 3.85Å; F741-H750 HydrophobicContact CE2-CB 3.92Å; F741-H750 AromaticContact CE2-CD2 3.46Å; F741-H750 VanDerWaalsContact CE2-CD2 3.46Å; F741-H750 WeakPolarHBondContact CE2-CD2 3.25Å; F741-H750 AromaticContact CE2-CG 3.64Å; F741-H750 HydrophobicContact CZ-CB 3.4Å; F741-H750 AromaticContact CZ-CD2 3.5Å; F741-H750 AromaticContact CZ-CG 3.19Å; F741-H750 AromaticContact CZ-ND1 3.57Å
742	L	71.8	Confident	73.9	Confident	63 Å²	63	68.9 Å²	68.9	33%	0.33	39%	0.385	S	S	.	.	S	Bend	trans	-73.3	-23.2	175.8	-72.5	176.6	0	0	0	113.8	A719 F722 T723	A719-L742 VanDerWaalsContact CA-CD2 3.48Å; A719-L742 HydrophobicContact CB-CD2 3.68Å; F722-L742 HydrophobicContact CB-CD2 4.22Å; F722-L742 HydrophobicContact CD1-CD2 3.59Å; F722-L742 HydrophobicContact CD1-CG 3.88Å; F722-L742 HydrophobicContact CE1-CD2 4.48Å; F722-L742 HydrophobicContact CE1-CG 4.32Å; F722-L742 HydrophobicContact CG-CD2 4.32Å; T723-L742 HydrophobicContact CG2-CD1 3.91Å; T723-L742 HydrophobicContact CG2-CD2 4.16Å
743	T	71.1	Confident	73.8	Confident	61 Å²	61	71.3 Å²	71.3	37%	0.374	40%	0.398	S	S	.	.	S	Bend	trans	-138.1	146	177.6	69.1	0	0	0	0	111.8	F732 F741 S745 Q746 R747	F732-T743 VanDerWaalsContact CD2-CA 3.44Å; F741-T743 VanDerWaalsContact C-N 3.34Å; T743-S745 PolarHBondContact O-N 2.9Å; T743-Q746 VanDerWaalsContact N-OE1 3.13Å; T743-Q746 PolarHBondContact O-N 3.05Å; T743-Q746 VanDerWaalsContact O-N 3.09Å; T743-Q746 VanDerWaalsContact OG1-CD 3.23Å; T743-Q746 VanDerWaalsContact OG1-CG 3.25Å; T743-Q746 WeakPolarHBondContact OG1-CG 3.3Å; T743-Q746 PolarHBondContact OG1-N 3.36Å; T743-Q746 PolarHBondContact OG1-OE1 2.85Å; T743-R747 PolarHBondContact O-N 3.37Å; T743-R747 VanDerWaalsContact O-N 3.15Å
744	K	73	Confident	73.4	Confident	112 Å²	112	73.6 Å²	73.6	49%	0.487	40%	0.402	S	S	.	.	H	α-helix	trans	-51.5	-38.4	173	-178.1	174.4	173.2	178.8	0	112.8	F732 R747 E748	F732-K744 HydrophobicContact CD1-CB 3.78Å; F732-K744 HydrophobicContact CD1-CG 4.5Å; F732-K744 VanDerWaalsContact CD2-N 3.29Å; F732-K744 HydrophobicContact CE1-CB 3.81Å; F732-K744 HydrophobicContact CG-CB 4.22Å; F732-K744 HydrophobicContact CZ-CB 4.27Å; K744-R747 PolarHBondContact O-N 2.65Å; K744-E748 WeakPolarHBondContact CE-OE1 3.48Å; K744-E748 WeakPolarHBondContact CG-OE1 3.49Å; K744-E748 IonicContact NZ-OE1 3.15Å; K744-E748 WeakPolarHBondContact O-CB 3.32Å; K744-E748 VanDerWaalsContact O-CG 3.3Å; K744-E748 WeakPolarHBondContact O-CG 3.5Å; K744-E748 PolarHBondContact O-N 2.73Å
745	S	66.8	Low	73.3	Confident	87 Å²	87	75.3 Å²	75.3	61%	0.608	41%	0.409	S	S	*	.	H	α-helix	trans	-70.5	-33.5	179.6	-169.8	0	0	0	0	113.5	T743 E748 S749	T743-S745 PolarHBondContact O-N 2.9Å; S745-E748 PolarHBondContact O-N 3.38Å; S745-S749 PolarHBondContact O-N 2.96Å
746	Q	76.1	Confident	72.5	Confident	96 Å²	96	75.1 Å²	75.1	45%	0.449	41%	0.407	S	S	.	.	H	α-helix	trans	-69.2	-44.9	174.2	-74.8	161.4	-45.5	0	0	110.5	F741 T743 E748 S749 H750	F741-Q746 HydrophobicContact CB-CB 4.21Å; F741-Q746 HydrophobicContact CD1-CB 3.88Å; F741-Q746 HydrophobicContact CG-CB 4.33Å; T743-Q746 VanDerWaalsContact N-OE1 3.13Å; T743-Q746 PolarHBondContact O-N 3.05Å; T743-Q746 VanDerWaalsContact O-N 3.09Å; T743-Q746 VanDerWaalsContact OG1-CD 3.23Å; T743-Q746 VanDerWaalsContact OG1-CG 3.25Å; T743-Q746 WeakPolarHBondContact OG1-CG 3.3Å; T743-Q746 PolarHBondContact OG1-N 3.36Å; T743-Q746 PolarHBondContact OG1-OE1 2.85Å; Q746-E748 VanDerWaalsContact C-N 3.3Å; Q746-E748 PolarHBondContact O-N 2.83Å; Q746-S749 PolarHBondContact O-N 3.2Å; Q746-H750 WeakPolarHBondContact O-CB 3.36Å; Q746-H750 PolarHBondContact O-N 3.24Å
747	R	79.3	Confident	71	Confident	57 Å²	57	75.1 Å²	75.1	22%	0.215	41%	0.414	C	S	.	.	H	α-helix	trans	-55.8	-45.7	171.6	-174	-161.1	64.4	162.6	6.3	111.3	F732 P733 F741 T743 K744 H750 C751	F732-R747 HydrophobicContact CB-CB 4.32Å; P733-R747 WeakPolarHBondContact O-CD 3.23Å; F741-R747 HydrophobicContact CB-CB 3.95Å; F741-R747 HydrophobicContact CD2-CB 3.62Å; F741-R747 HydrophobicContact CD2-CG 3.82Å; F741-R747 HydrophobicContact CE2-CB 4.46Å; F741-R747 HydrophobicContact CE2-CG 4.4Å; F741-R747 HydrophobicContact CG-CB 3.9Å; T743-R747 PolarHBondContact O-N 3.37Å; T743-R747 VanDerWaalsContact O-N 3.15Å; K744-R747 PolarHBondContact O-N 2.65Å; R747-H750 PolarHBondContact O-N 3.43Å; R747-C751 PolarHBondContact O-N 3.39Å; R747-C751 PolarHBondContact O-SG 3.23Å
748	E	75.3	Confident	69.1	Low	85 Å²	85	77.7 Å²	77.7	40%	0.397	43%	0.43	S	S	.	.	H	α-helix	trans	-69.1	-33.2	-177.7	-77.6	165.5	-180	0	0	113.2	K744 S745 Q746 A752	K744-E748 WeakPolarHBondContact CE-OE1 3.48Å; K744-E748 WeakPolarHBondContact CG-OE1 3.49Å; K744-E748 IonicContact NZ-OE1 3.15Å; K744-E748 WeakPolarHBondContact O-CB 3.32Å; K744-E748 VanDerWaalsContact O-CG 3.3Å; K744-E748 WeakPolarHBondContact O-CG 3.5Å; K744-E748 PolarHBondContact O-N 2.73Å; S745-E748 PolarHBondContact O-N 3.38Å; Q746-E748 VanDerWaalsContact C-N 3.3Å; Q746-E748 PolarHBondContact O-N 2.83Å; E748-A752 VanDerWaalsContact O-CB 3.29Å; E748-A752 WeakPolarHBondContact O-CB 3.46Å; E748-A752 PolarHBondContact O-N 3.25Å; E748-A752 VanDerWaalsContact O-N 3.08Å
749	S	69.9	Low	67.3	Low	58 Å²	58	74.8 Å²	74.8	41%	0.406	43%	0.426	S	S	.	.	H	α-helix	trans	-65.2	-47.2	167.9	-147.3	0	0	0	0	111	S745 Q746 C751 A752 E753	S745-S749 PolarHBondContact O-N 2.96Å; Q746-S749 PolarHBondContact O-N 3.2Å; S749-C751 PolarHBondContact O-N 3.2Å; S749-A752 CarbonylContact O-C 3.56Å; S749-A752 PolarHBondContact O-N 3.12Å; S749-A752 VanDerWaalsContact O-N 3.17Å; S749-E753 WeakPolarHBondContact O-CB 3.23Å; S749-E753 VanDerWaalsContact O-CG 3.27Å; S749-E753 WeakPolarHBondContact O-CG 3.44Å; S749-E753 PolarHBondContact O-N 3.03Å; S749-E753 PolarHBondContact OG-OE1 2.84Å
750	H	79.2	Confident	65.5	Low	36 Å²	36	81.7 Å²	81.7	17%	0.167	45%	0.453	C	S	.	.	H	α-helix	trans	-59.7	-47.1	178.1	166	85.2	0	0	0	112.6	C737 F741 Q746 R747 A752 E753 Q754 H755	C737-H750 PolarHBondContact SG-NE2 3.14Å; F741-H750 HydrophobicContact CE1-CB 3.85Å; F741-H750 HydrophobicContact CE2-CB 3.92Å; F741-H750 AromaticContact CE2-CD2 3.46Å; F741-H750 VanDerWaalsContact CE2-CD2 3.46Å; F741-H750 WeakPolarHBondContact CE2-CD2 3.25Å; F741-H750 AromaticContact CE2-CG 3.64Å; F741-H750 HydrophobicContact CZ-CB 3.4Å; F741-H750 AromaticContact CZ-CD2 3.5Å; F741-H750 AromaticContact CZ-CG 3.19Å; F741-H750 AromaticContact CZ-ND1 3.57Å; Q746-H750 WeakPolarHBondContact O-CB 3.36Å; Q746-H750 PolarHBondContact O-N 3.24Å; R747-H750 PolarHBondContact O-N 3.43Å; H750-A752 VanDerWaalsContact C-N 3.32Å; H750-A752 PolarHBondContact O-N 3.03Å; H750-E753 PolarHBondContact O-N 3.42Å; H750-E753 VanDerWaalsContact O-N 3.15Å; H750-Q754 WeakPolarHBondContact O-CB 3.36Å; H750-Q754 PolarHBondContact O-N 3.2Å; H750-H755 AromaticContact NE2-CD2 3.98Å; H750-H755 AromaticContact NE2-NE2 3.65Å
751	C	78.6	Confident	63.2	Low	21 Å²	21	87.5 Å²	87.5	14%	0.142	48%	0.479	C	S	.	.	H	α-helix	trans	-59.8	-43	174.4	-62.9	0	0	0	0	111.2	R747 S749 E753 H755	R747-C751 PolarHBondContact O-N 3.39Å; R747-C751 PolarHBondContact O-SG 3.23Å; S749-C751 PolarHBondContact O-N 3.2Å; C751-E753 PolarHBondContact O-N 2.97Å; C751-H755 CarbonylContact O-C 3.51Å; C751-H755 VanDerWaalsContact O-CA 3.25Å; C751-H755 WeakPolarHBondContact O-CA 3.01Å; C751-H755 PolarHBondContact O-N 3.43Å; C751-H755 VanDerWaalsContact O-O 3.1Å
752	A	76.6	Confident	61.1	Low	77 Å²	77	91.9 Å²	91.9	64%	0.636	51%	0.512	S	S	*	.	H	α-helix	trans	-68.9	-19.1	177.9	0	0	0	0	0	114.3	E748 S749 H750	E748-A752 VanDerWaalsContact O-CB 3.29Å; E748-A752 WeakPolarHBondContact O-CB 3.46Å; E748-A752 PolarHBondContact O-N 3.25Å; E748-A752 VanDerWaalsContact O-N 3.08Å; S749-A752 CarbonylContact O-C 3.56Å; S749-A752 PolarHBondContact O-N 3.12Å; S749-A752 VanDerWaalsContact O-N 3.17Å; H750-A752 VanDerWaalsContact C-N 3.32Å; H750-A752 PolarHBondContact O-N 3.03Å
753	E	71.8	Confident	59	Low	124 Å²	124	93.8 Å²	93.8	58%	0.579	53%	0.53	S	S	*	.	H	α-helix	trans	-98.9	-38.3	-179.6	-73.3	167.8	-139.5	0	0	113.4	S749 H750 C751	S749-E753 WeakPolarHBondContact O-CB 3.23Å; S749-E753 VanDerWaalsContact O-CG 3.27Å; S749-E753 WeakPolarHBondContact O-CG 3.44Å; S749-E753 PolarHBondContact O-N 3.03Å; S749-E753 PolarHBondContact OG-OE1 2.84Å; H750-E753 PolarHBondContact O-N 3.42Å; H750-E753 VanDerWaalsContact O-N 3.15Å; C751-E753 PolarHBondContact O-N 2.97Å
754	Q	64.9	Low	57	Low	123 Å²	123	99.4 Å²	99.4	58%	0.575	55%	0.552	S	S	*	*	H	α-helix	trans	-108.8	-21.3	-172.8	-53	-57	-39.4	0	0	113.5	H750	H750-Q754 WeakPolarHBondContact O-CB 3.36Å; H750-Q754 PolarHBondContact O-N 3.2Å
755	H	73.9	Confident	55.3	Low	47 Å²	47	98.8 Å²	98.8	22%	0.218	56%	0.559	C	S	.	*			trans	-126.9	58.7	177.7	-53.4	-59.6	0	0	0	112	C734 Q736 C737 H750 C751 T757	C734-H755 PolarHBondContact SG-CD2 3.5Å; C734-H755 PolarHBondContact SG-NE2 2.81Å; Q736-H755 HydrophobicContact CB-CB 4.33Å; Q736-H755 PolarHBondContact O-CE1 3.24Å; Q736-H755 VanDerWaalsContact OE1-CB 3.32Å; C737-H755 PolarHBondContact SG-NE2 3.02Å; H750-H755 AromaticContact NE2-CD2 3.98Å; H750-H755 AromaticContact NE2-NE2 3.65Å; C751-H755 CarbonylContact O-C 3.51Å; C751-H755 VanDerWaalsContact O-CA 3.25Å; C751-H755 WeakPolarHBondContact O-CA 3.01Å; C751-H755 PolarHBondContact O-N 3.43Å; C751-H755 VanDerWaalsContact O-O 3.1Å; H755-T757 VanDerWaalsContact C-N 3.32Å; H755-T757 PolarHBondContact O-N 3.42Å
756	P	53.7	Low	53.4	Low	96 Å²	96	99.8 Å²	99.8	62%	0.623	57%	0.567	S	S	*	*			trans	-65.8	91	173.9	30	-35.2	0	0	0	110	P758	P756-P758 WeakPolarHBondContact O-CD 3.49Å
757	T	40.5	Very low	51	Low	95 Å²	95	101.1 Å²	101.1	58%	0.583	58%	0.581	S	S	*	*			trans	-57.3	122.6	-175.7	50.6	0	0	0	0	111.4	H755	H755-T757 VanDerWaalsContact C-N 3.32Å; H755-T757 PolarHBondContact O-N 3.42Å
758	P	38.4	Very low	48.5	Very low	106 Å²	106	103.2 Å²	103.2	69%	0.688	61%	0.605	S	S	*	*			trans	-59.1	139.7	165.2	-19.4	32.2	0	0	0	109.7	P756 Q760	P756-P758 WeakPolarHBondContact O-CD 3.49Å; P758-Q760 PolarHBondContact O-N 2.96Å
759	V	32.1	Very low	46.1	Very low	139 Å²	139	105 Å²	105	84%	0.842	62%	0.621	S	S	*	*			trans	-80.4	104.1	167.4	179.1	0	0	0	0	107.4
760	Q	30.9	Very low	44	Very low	174 Å²	174	108 Å²	108	81%	0.813	64%	0.638	S	S	*	*			trans	-121.9	137.4	167.1	-73.6	-178.1	-30.2	0	0	108.6	P758	P758-Q760 PolarHBondContact O-N 2.96Å
761	N	26.6	Very low	41.6	Very low	142 Å²	142	112.5 Å²	112.5	76%	0.759	67%	0.667	S	S	*	*			trans	-82.4	148.4	-179.8	-67	-20.7	0	0	0	110.5	S763	N761-S763 PolarHBondContact O-N 3.18Å
762	P	33.2	Very low	39.2	Very low	131 Å²	131	119.1 Å²	119.1	85%	0.851	70%	0.7	S	S	*	*			trans	-85.6	108.9	179.3	32.5	-32.8	0	0	0	112.7
763	S	28.4	Very low	36.7	Very low	102 Å²	102	123.4 Å²	123.4	71%	0.713	71%	0.707	S	S	*	*			trans	-178.7	133.1	166.9	52.5	0	0	0	0	107.6	N761	N761-S763 PolarHBondContact O-N 3.18Å
764	E	28.7	Very low	34.6	Very low	179 Å²	179	122.5 Å²	122.5	84%	0.836	71%	0.714	S	S	*	*			cis	-149.6	166.1	-2.9	-98.4	-79.2	103.1	0	0	106.5
765	P	37.5	Very low	32.9	Very low	99 Å²	99	122.4 Å²	122.4	64%	0.643	73%	0.727	S	S	*	*			trans	-89.3	152.7	-175.5	35.2	-33.9	0	0	0	113.8
766	S	25.6	Very low	30.6	Very low	109 Å²	109	124 Å²	124	76%	0.762	76%	0.756	S	S	*	*			trans	-177.7	135	141.3	-86.1	0	0	0	0	115.8
767	T	25.7	Very low	29.3	Very low	124 Å²	124	126.8 Å²	126.8	76%	0.761	77%	0.766	S	S	*	*			trans	53.3	119.3	140.4	61.2	0	0	0	0	123.9
768	S	26.8	Very low	28.7	Very low	101 Å²	101	129.6 Å²	129.6	71%	0.706	78%	0.776	S	S	*	*				89.1	108.1	119	-62.8	0	0	0	0	123.7
769	T	25.9	Very low	28	Very low	121 Å²	121	130.1 Å²	130.1	74%	0.742	78%	0.778	S	S	*	*				92.8	144.2	115.7	-55.9	0	0	0	0	121.6
770	T	25.3	Very low	27.8	Very low	122 Å²	122	128.9 Å²	128.9	75%	0.748	78%	0.775	S	S	*	*			trans	69.6	98.3	164.7	33.3	0	0	0	0	121.5
771	V	28.3	Very low	27.5	Very low	131 Å²	131	126.7 Å²	126.7	79%	0.794	78%	0.778	S	S	*	*				24.3	127.2	112.3	-171.1	0	0	0	0	118.8
772	I	28.6	Very low	27.5	Very low	159 Å²	159	123.7 Å²	123.7	82%	0.815	78%	0.78	S	S	*	*				-171.3	162.2	124.9	-98.5	162.5	0	0	0	110.4
773	E	24.1	Very low	27.5	Very low	168 Å²	168	127 Å²	127	79%	0.785	78%	0.781	S	S	*	*			trans	-76.2	-173.1	-178.9	-56	152.3	132	0	0	111.3
774	S	27.4	Very low	27.9	Very low	105 Å²	105	125.9 Å²	125.9	73%	0.734	79%	0.786	S	S	*	*			cis	-156	176.2	14	-23.4	0	0	0	0	112.6
775	S	29.2	Very low	28.6	Very low	121 Å²	121	120.4 Å²	120.4	85%	0.846	77%	0.771	S	S	*	*			trans	-44.1	153.4	171.3	51.9	0	0	0	0	119.2
776	G	25.4	Very low	29.7	Very low	81 Å²	81	118.6 Å²	118.6	84%	0.835	76%	0.756	S	S	*	*			trans	-175.5	109.5	159.8	0	0	0	0	0	114.1
777	D	26.1	Very low	31	Very low	154 Å²	154	115.3 Å²	115.3	82%	0.824	73%	0.73	S	S	*	*			trans	-81.4	151.1	177.5	-80.6	-66.5	0	0	0	113.7
778	L	27.7	Very low	32.9	Very low	153 Å²	153	109.5 Å²	109.5	80%	0.801	69%	0.694	S	S	*	*				167	132.2	113.6	-87.1	166.3	0	0	0	115.1
779	T	24.9	Very low	34.3	Very low	118 Å²	118	111 Å²	111	72%	0.724	69%	0.694	S	S	*	*			trans	57.6	104.8	147.6	53.5	0	0	0	0	123.3
780	S	26.4	Very low	36	Very low	113 Å²	113	109.7 Å²	109.7	79%	0.79	68%	0.682	S	S	*	*				103	146.8	117.4	84.5	0	0	0	0	122.7
781	C	25.5	Very low	38	Very low	128 Å²	128	106.4 Å²	106.4	87%	0.865	66%	0.663	S	S	*	*			trans	54.7	100	153	-83.1	0	0	0	0	121.6
782	G	26.5	Very low	39.4	Very low	78 Å²	78	102.7 Å²	102.7	80%	0.804	65%	0.652	S	S	*	*			trans	-147	67.2	163.6	0	0	0	0	0	113.6	G784	G782-G784 PolarHBondContact O-N 2.91Å
783	K	34.2	Very low	40.7	Very low	200 Å²	200	103.5 Å²	103.5	87%	0.87	64%	0.644	S	S	*	*			trans	-63.7	119.3	177.7	-74.8	174.6	179.8	167.4	0	110.3	A785	K783-A785 PolarHBondContact O-N 3.15Å
784	G	36.5	Very low	42.6	Very low	79 Å²	79	103.5 Å²	103.5	81%	0.814	64%	0.642	S	S	*	*			trans	-55	105.8	-177.9	0	0	0	0	0	113.1	G782	G782-G784 PolarHBondContact O-N 2.91Å
785	A	42.3	Very low	44.6	Very low	64 Å²	64	101 Å²	101	53%	0.529	62%	0.62	S	S	.	*			trans	-84.9	120.2	-173	0	0	0	0	0	111.3	K783 D787	K783-A785 PolarHBondContact O-N 3.15Å; A785-D787 VanDerWaalsContact CB-OD1 3.25Å; A785-D787 WeakPolarHBondContact CB-OD1 3.39Å
786	L	60.7	Low	45.5	Very low	61 Å²	61	100.4 Å²	100.4	32%	0.319	61%	0.607	S	S	.	*			trans	-99.3	38.6	175.9	-66	177.5	0	0	0	111.8	L795 P798 L801	L786-L795 WeakPolarHBondContact CB-O 3.42Å; L786-L795 PolarHBondContact O-N 3.46Å; L786-P798 HydrophobicContact CD2-CB 4.49Å; L786-P798 HydrophobicContact CD2-CG 3.91Å; L786-L801 HydrophobicContact CD2-CD2 4.38Å
787	D	53.1	Low	47.4	Very low	41 Å²	41	98 Å²	98	22%	0.219	58%	0.578	C	S	.	*	B	Isolated β-bridge	trans	-93.7	153.9	175.2	27.2	38	0	0	0	113.5	A785 N789 R793 K794 L801 R805	A785-D787 VanDerWaalsContact CB-OD1 3.25Å; A785-D787 WeakPolarHBondContact CB-OD1 3.39Å; D787-N789 PolarHBondContact O-N 2.9Å; D787-R793 WeakPolarHBondContact CA-O 3.46Å; D787-K794 HydrophobicContact CB-CG 3.85Å; D787-K794 VanDerWaalsContact OD2-CE 3.25Å; D787-K794 WeakPolarHBondContact OD2-CE 3.45Å; D787-L801 VanDerWaalsContact O-CD1 3.27Å; D787-L801 WeakPolarHBondContact O-CD1 3.5Å; D787-R805 PolarHBondContact O-NH2 3.49Å
788	C	65.8	Low	48.8	Very low	1 Å²	1	94.9 Å²	94.9	1%	0.007	57%	0.566	C	S	.	*			trans	-84.8	106.6	170.9	-164.5	0	0	0	0	109.9	I790 C791 G792 R793 L801	C788-I790 PolarHBondContact O-N 3.12Å; C788-C791 PolarHBondContact O-N 2.89Å; C788-G792 PolarHBondContact O-N 3.44Å; C788-R793 PolarHBondContact N-O 3.48Å; C788-L801 HydrophobicContact CB-CD1 3.98Å
789	N	56.4	Low	50.4	Low	134 Å²	134	91.3 Å²	91.3	72%	0.717	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.4	-9.7	176.2	-57.2	49.8	0	0	0	114.5	D787 R805	D787-N789 PolarHBondContact O-N 2.9Å; N789-R805 PolarHBondContact OD1-NH2 3.28Å
790	I	61.1	Low	51.9	Low	93 Å²	93	89 Å²	89	48%	0.477	54%	0.537	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-25.2	-179.8	-52.6	173.2	0	0	0	112.2	C788 H808	C788-I790 PolarHBondContact O-N 3.12Å; I790-H808 HydrophobicContact CD1-CB 3.84Å; I790-H808 HydrophobicContact CG2-CB 4.06Å
791	C	66.9	Low	54.1	Low	52 Å²	52	84.3 Å²	84.3	35%	0.351	50%	0.503	S	S	.	.	T	Hydrogen-bonded Turn	trans	-151.9	20.8	179.9	73.8	0	0	0	0	116.1	C788 R793 H804 H808	C788-C791 PolarHBondContact O-N 2.89Å; C791-R793 PolarHBondContact O-N 2.8Å; C791-H804 VanDerWaalsContact SG-CE1 3.51Å; C791-H804 PolarHBondContact SG-NE2 3.29Å; C791-H808 WeakPolarHBondContact CB-NE2 3.47Å; C791-H808 PolarHBondContact SG-NE2 3.22Å
792	G	59.3	Low	55.8	Low	54 Å²	54	87.4 Å²	87.4	56%	0.557	50%	0.496	S	S	*	.			trans	68.8	-6.8	171.8	0	0	0	0	0	117	C788 K794	C788-G792 PolarHBondContact O-N 3.44Å; G792-K794 PolarHBondContact O-N 3.24Å; G792-K794 VanDerWaalsContact O-N 3.14Å
793	R	55.7	Low	57.7	Low	176 Å²	176	87 Å²	87	66%	0.664	48%	0.475	S	S	*	.			trans	-66.4	114.6	-176.1	-71.6	-172.6	174.8	-152.3	-1.8	111.9	D787 C788 C791	D787-R793 WeakPolarHBondContact CA-O 3.46Å; C788-R793 PolarHBondContact N-O 3.48Å; C791-R793 PolarHBondContact O-N 2.8Å
794	K	63.8	Low	59.3	Low	167 Å²	167	78.9 Å²	78.9	73%	0.726	44%	0.44	S	S	*	.	B	Isolated β-bridge	trans	-77.1	125.7	173.3	-70.4	176.8	-179.7	-179	0	110.5	D787 G792	D787-K794 HydrophobicContact CB-CG 3.85Å; D787-K794 VanDerWaalsContact OD2-CE 3.25Å; D787-K794 WeakPolarHBondContact OD2-CE 3.45Å; G792-K794 PolarHBondContact O-N 3.24Å; G792-K794 VanDerWaalsContact O-N 3.14Å
795	L	68.9	Low	60.7	Low	53 Å²	53	79.1 Å²	79.1	28%	0.277	42%	0.417	S	S	.	.			trans	-119.9	157.3	-174.9	-72	169.6	0	0	0	111.7	L786 L801 H804	L786-L795 WeakPolarHBondContact CB-O 3.42Å; L786-L795 PolarHBondContact O-N 3.46Å; L795-L801 HydrophobicContact CD1-CB 4.37Å; L795-L801 HydrophobicContact CD1-CD1 4.26Å; L795-H804 HydrophobicContact CD1-CB 3.48Å; L795-H804 VanDerWaalsContact CD1-CB 3.48Å; L795-H804 VanDerWaalsContact CD1-CD2 3.46Å; L795-H804 WeakPolarHBondContact CD1-CD2 3.47Å
796	N	48.6	Very low	61.7	Low	108 Å²	108	80.8 Å²	80.8	58%	0.578	42%	0.416	S	S	*	.	S	Bend	trans	-90.4	4.2	-170	64.5	-13.3	0	0	0	114.8	N800	N796-N800 PolarHBondContact OD1-ND2 3.02Å
797	S	64.1	Low	61.5	Low	32 Å²	32	81.2 Å²	81.2	22%	0.224	42%	0.424	C	S	.	.			trans	-160.8	143.7	179.4	164.8	0	0	0	0	111.1	S799 N800 L801	S797-S799 PolarHBondContact O-N 3.28Å; S797-S799 PolarHBondContact OG-N 3.28Å; S797-S799 VanDerWaalsContact OG-N 3.11Å; S797-S799 PolarHBondContact OG-OG 3.08Å; S797-N800 PolarHBondContact O-N 3.43Å; S797-N800 VanDerWaalsContact O-N 3.14Å; S797-L801 PolarHBondContact O-N 3.43Å
798	P	56.4	Low	61.8	Low	88 Å²	88	83.3 Å²	83.3	57%	0.571	43%	0.433	S	S	*	.	H	α-helix	trans	-53.5	-35.5	169.6	-24.3	32.7	0	0	0	113.4	L786 L801 R802	L786-P798 HydrophobicContact CD2-CB 4.49Å; L786-P798 HydrophobicContact CD2-CG 3.91Å; P798-L801 PolarHBondContact O-N 3.04Å; P798-R802 WeakPolarHBondContact O-CB 2.73Å; P798-R802 PolarHBondContact O-N 3.42Å
799	S	61.2	Low	61.2	Low	77 Å²	77	91.1 Å²	91.1	54%	0.538	47%	0.466	S	S	.	.	H	α-helix	trans	-65.6	-42.5	178.4	-43.6	0	0	0	0	111.6	S797 R802 L803	S797-S799 PolarHBondContact O-N 3.28Å; S797-S799 PolarHBondContact OG-N 3.28Å; S797-S799 VanDerWaalsContact OG-N 3.11Å; S797-S799 PolarHBondContact OG-OG 3.08Å; S799-R802 PolarHBondContact O-N 3.08Å; S799-L803 PolarHBondContact O-N 3.15Å
800	N	57.4	Low	60.8	Low	69 Å²	69	89.1 Å²	89.1	37%	0.369	46%	0.463	S	S	.	.	H	α-helix	trans	-69.3	-37.5	176.3	-71.4	-20.7	0	0	0	111.2	N796 S797 R802 L803 H804	N796-N800 PolarHBondContact OD1-ND2 3.02Å; S797-N800 PolarHBondContact O-N 3.43Å; S797-N800 VanDerWaalsContact O-N 3.14Å; N800-R802 VanDerWaalsContact C-N 3.34Å; N800-R802 PolarHBondContact O-N 2.9Å; N800-L803 PolarHBondContact O-N 2.8Å; N800-H804 WeakPolarHBondContact O-CB 3.41Å; N800-H804 PolarHBondContact O-N 3.42Å
801	L	71	Confident	59.8	Low	15 Å²	15	93.4 Å²	93.4	8%	0.079	49%	0.486	C	S	.	.	H	α-helix	trans	-62.4	-40	173.1	-180	56.8	0	0	0	112.2	L786 D787 C788 L795 S797 P798 H804 R805	L786-L801 HydrophobicContact CD2-CD2 4.38Å; D787-L801 VanDerWaalsContact O-CD1 3.27Å; D787-L801 WeakPolarHBondContact O-CD1 3.5Å; C788-L801 HydrophobicContact CB-CD1 3.98Å; L795-L801 HydrophobicContact CD1-CB 4.37Å; L795-L801 HydrophobicContact CD1-CD1 4.26Å; S797-L801 PolarHBondContact O-N 3.43Å; P798-L801 PolarHBondContact O-N 3.04Å; L801-H804 PolarHBondContact O-N 3.23Å; L801-R805 HydrophobicContact CD1-CG 4.3Å; L801-R805 WeakPolarHBondContact O-CB 3.3Å; L801-R805 WeakPolarHBondContact O-CG 3.37Å; L801-R805 PolarHBondContact O-N 2.81Å
802	R	62.3	Low	58	Low	193 Å²	193	94.4 Å²	94.4	73%	0.728	51%	0.506	S	S	*	.	H	α-helix	trans	-66	-43.6	175.4	-162.5	174.3	-172.1	171.7	3.1	112	P798 S799 N800 R805 L806	P798-R802 WeakPolarHBondContact O-CB 2.73Å; P798-R802 PolarHBondContact O-N 3.42Å; S799-R802 PolarHBondContact O-N 3.08Å; N800-R802 VanDerWaalsContact C-N 3.34Å; N800-R802 PolarHBondContact O-N 2.9Å; R802-R805 PolarHBondContact O-N 3.49Å; R802-L806 WeakPolarHBondContact O-CG 3.29Å; R802-L806 PolarHBondContact O-N 3.43Å
803	L	66.4	Low	57.2	Low	69 Å²	69	104.5 Å²	104.5	36%	0.361	53%	0.527	S	S	.	.	H	α-helix	trans	-61.4	-42.2	173.5	-87.3	157.9	0	0	0	112.5	S799 N800 L806 S807 L835	S799-L803 PolarHBondContact O-N 3.15Å; N800-L803 PolarHBondContact O-N 2.8Å; L803-L806 WeakPolarHBondContact O-CB 3.25Å; L803-L806 PolarHBondContact O-N 2.91Å; L803-S807 PolarHBondContact O-N 2.95Å; L803-L835 HydrophobicContact CD2-CB 4.3Å
804	H	67.7	Low	56.1	Low	30 Å²	30	99.8 Å²	99.8	14%	0.139	53%	0.533	C	S	.	.	H	α-helix	trans	-70.1	-39.7	177.8	179.1	30.8	0	0	0	112.6	C791 L795 N800 L801 L806 S807	C791-H804 VanDerWaalsContact SG-CE1 3.51Å; C791-H804 PolarHBondContact SG-NE2 3.29Å; L795-H804 HydrophobicContact CD1-CB 3.48Å; L795-H804 VanDerWaalsContact CD1-CB 3.48Å; L795-H804 VanDerWaalsContact CD1-CD2 3.46Å; L795-H804 WeakPolarHBondContact CD1-CD2 3.47Å; N800-H804 WeakPolarHBondContact O-CB 3.41Å; N800-H804 PolarHBondContact O-N 3.42Å; L801-H804 PolarHBondContact O-N 3.23Å; H804-L806 PolarHBondContact O-N 3.16Å; H804-S807 PolarHBondContact ND1-OG 3.23Å; H804-S807 PolarHBondContact O-N 3.21Å; H804-S807 PolarHBondContact O-OG 3.06Å
805	R	65.4	Low	54.6	Low	85 Å²	85	101.1 Å²	101.1	32%	0.321	53%	0.534	S	S	.	.	H	α-helix	trans	-59	-33.9	173.1	-75.4	178.1	-167.6	-151.6	0.6	111.9	D787 N789 L801 R802 S807 H808 F809	D787-R805 PolarHBondContact O-NH2 3.49Å; N789-R805 PolarHBondContact OD1-NH2 3.28Å; L801-R805 HydrophobicContact CD1-CG 4.3Å; L801-R805 WeakPolarHBondContact O-CB 3.3Å; L801-R805 WeakPolarHBondContact O-CG 3.37Å; L801-R805 PolarHBondContact O-N 2.81Å; R802-R805 PolarHBondContact O-N 3.49Å; R805-S807 VanDerWaalsContact C-N 3.32Å; R805-S807 PolarHBondContact O-N 2.95Å; R805-H808 PolarHBondContact O-N 3.19Å; R805-F809 VanDerWaalsContact O-CD2 3.25Å; R805-F809 WeakPolarHBondContact O-CD2 3.49Å; R805-F809 WeakPolarHBondContact O-CE2 3.47Å
806	L	64.1	Low	53	Low	99 Å²	99	104.6 Å²	104.6	52%	0.518	56%	0.56	S	S	.	*	H	α-helix	trans	-65.8	-28.9	174.6	-70.5	166	0	0	0	113.7	R802 L803 H804 H808 F809	R802-L806 WeakPolarHBondContact O-CG 3.29Å; R802-L806 PolarHBondContact O-N 3.43Å; L803-L806 WeakPolarHBondContact O-CB 3.25Å; L803-L806 PolarHBondContact O-N 2.91Å; H804-L806 PolarHBondContact O-N 3.16Å; L806-H808 PolarHBondContact O-N 2.92Å; L806-F809 PolarHBondContact O-N 3.22Å
807	S	56.4	Low	52.5	Low	69 Å²	69	106.2 Å²	106.2	48%	0.483	56%	0.564	S	S	.	*	H	α-helix	trans	-68.8	-17.7	177.4	65.2	0	0	0	0	114.4	L803 H804 R805 F809	L803-S807 PolarHBondContact O-N 2.95Å; H804-S807 PolarHBondContact ND1-OG 3.23Å; H804-S807 PolarHBondContact O-N 3.21Å; H804-S807 PolarHBondContact O-OG 3.06Å; R805-S807 VanDerWaalsContact C-N 3.32Å; R805-S807 PolarHBondContact O-N 2.95Å; S807-F809 VanDerWaalsContact C-N 3.33Å
808	H	58.8	Low	50.7	Low	86 Å²	86	116.5 Å²	116.5	40%	0.398	60%	0.598	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.1	-9.9	177	-68.3	-69	0	0	0	114.1	I790 C791 R805 L806	I790-H808 HydrophobicContact CD1-CB 3.84Å; I790-H808 HydrophobicContact CG2-CB 4.06Å; C791-H808 WeakPolarHBondContact CB-NE2 3.47Å; C791-H808 PolarHBondContact SG-NE2 3.22Å; R805-H808 PolarHBondContact O-N 3.19Å; L806-H808 PolarHBondContact O-N 2.92Å
809	F	53.6	Low	49.5	Very low	164 Å²	164	118.1 Å²	118.1	72%	0.719	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.5	15.7	-179.4	-66.2	-82	0	0	0	113.3	R805 L806 S807	R805-F809 VanDerWaalsContact O-CD2 3.25Å; R805-F809 WeakPolarHBondContact O-CD2 3.49Å; R805-F809 WeakPolarHBondContact O-CE2 3.47Å; L806-F809 PolarHBondContact O-N 3.22Å; S807-F809 VanDerWaalsContact C-N 3.33Å
810	S	47	Very low	48.2	Very low	93 Å²	93	119.5 Å²	119.5	65%	0.65	63%	0.627	S	S	*	*			trans	-103.2	52.8	-172.3	-61.2	0	0	0	0	113.5
811	L	41.6	Very low	47.1	Very low	182 Å²	182	119.1 Å²	119.1	95%	0.953	64%	0.639	S	S	*	*	S	Bend	trans	-168.1	132.1	159.6	-106.2	164.7	0	0	0	110
812	G	29.1	Very low	46	Very low	74 Å²	74	128.5 Å²	128.5	76%	0.763	68%	0.679	S	S	*	*			trans	132.4	121.9	174	0	0	0	0	0	114.8
813	R	41.3	Very low	44.9	Very low	265 Å²	265	130 Å²	130	100%	1	69%	0.685	S	S	*	*			trans	-84.6	120.1	167.2	-74.1	-175.2	179.1	-120.5	5.2	109.1
814	G	32.2	Very low	43.9	Very low	78 Å²	78	132.1 Å²	132.1	80%	0.804	70%	0.703	S	S	*	*			trans	171.3	123	173.6	0	0	0	0	0	111.5
815	R	33	Very low	43.3	Very low	194 Å²	194	139.2 Å²	139.2	73%	0.732	73%	0.733	S	S	*	*			trans	-112	135	-178.6	-157	-176.7	-168.9	-151.8	1	108.7	Q817	R815-Q817 VanDerWaalsContact CZ-CD 3.47Å; R815-Q817 VanDerWaalsContact CZ-OE1 3.23Å
816	P	35.4	Very low	43.6	Very low	127 Å²	127	138 Å²	138	83%	0.825	74%	0.742	S	S	*	*				-113.2	149.1	123.8	-13.2	30.8	0	0	0	111.8
817	Q	37.9	Very low	44.2	Very low	142 Å²	142	136.7 Å²	136.7	66%	0.664	73%	0.733	S	S	*	*			trans	-78	131.3	171.3	-83	-175.6	-124.7	0	0	111.3	R815	R815-Q817 VanDerWaalsContact CZ-CD 3.47Å; R815-Q817 VanDerWaalsContact CZ-OE1 3.23Å
818	R	27.6	Very low	45.6	Very low	248 Å²	248	138.7 Å²	138.7	94%	0.936	73%	0.734	S	S	*	*			trans	-125.4	155.6	147	-82.3	-172.6	162.3	-178.3	-6.5	109.2
819	S	29.8	Very low	46.7	Very low	122 Å²	122	134.6 Å²	134.6	85%	0.853	72%	0.715	S	S	*	*			trans	-73.2	162.7	-156	43.6	0	0	0	0	115.4	G821	S819-G821 VanDerWaalsContact C-N 3.34Å; S819-G821 PolarHBondContact O-N 3.4Å
820	A	35.4	Very low	48	Very low	105 Å²	105	131.4 Å²	131.4	87%	0.868	71%	0.712	S	S	*	*			trans	-79.5	66.9	-165.6	0	0	0	0	0	114.7
821	G	33.9	Very low	49.7	Very low	61 Å²	61	131.7 Å²	131.7	63%	0.629	70%	0.704	S	S	*	*			trans	-61.4	132.4	158.6	0	0	0	0	0	110.5	S819 R823	S819-G821 VanDerWaalsContact C-N 3.34Å; S819-G821 PolarHBondContact O-N 3.4Å; G821-R823 PolarHBondContact O-N 3.15Å
822	K	48.2	Very low	51.8	Low	212 Å²	212	124.8 Å²	124.8	92%	0.922	67%	0.671	S	S	*	*			trans	-65.5	86.7	-175.6	-70.2	175.2	-178.5	168.5	0	112.1
823	R	38.7	Very low	54.2	Low	226 Å²	226	125.2 Å²	125.2	85%	0.853	66%	0.662	S	S	*	*			trans	-64.2	138.1	166.3	-64.4	-176.6	178.3	-168.9	-0.8	109.2	G821 K825	G821-R823 PolarHBondContact O-N 3.15Å; R823-K825 PolarHBondContact O-N 3.25Å
824	P	45.4	Very low	56	Low	113 Å²	113	117.9 Å²	117.9	73%	0.734	64%	0.637	S	S	*	*			trans	-60.7	131.4	167.7	26.6	-32.9	0	0	0	108.7	A826	P824-A826 PolarHBondContact O-N 3.2Å
825	K	54.7	Low	58.4	Low	178 Å²	178	117.7 Å²	117.7	77%	0.774	62%	0.617	S	S	*	*			trans	-65.2	106.3	170.7	-84.6	-171.2	171.3	-174.7	0	107.6	R823 H827	R823-K825 PolarHBondContact O-N 3.25Å; K825-H827 PolarHBondContact O-CD2 3.29Å; K825-H827 PolarHBondContact O-N 3.4Å; K825-H827 PolarHBondContact O-NE2 3.45Å
826	A	71.6	Confident	60.7	Low	61 Å²	61	110.8 Å²	110.8	50%	0.504	59%	0.592	S	S	.	*	P	Polyproline II helix	trans	-62.8	121.7	165.9	0	0	0	0	0	107.6	P824 L835 F836	P824-A826 PolarHBondContact O-N 3.2Å; A826-L835 HydrophobicContact CB-CB 4.48Å; A826-L835 HydrophobicContact CB-CD2 4.34Å; A826-F836 WeakPolarHBondContact CA-O 3.2Å
827	H	76.8	Confident	62.8	Low	70 Å²	70	110.7 Å²	110.7	32%	0.324	59%	0.589	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-89.1	124.8	-178.3	-67.9	-93.3	0	0	0	108.7	K825 F836 S838 S839 V842	K825-H827 PolarHBondContact O-CD2 3.29Å; K825-H827 PolarHBondContact O-N 3.4Å; K825-H827 PolarHBondContact O-NE2 3.45Å; H827-F836 PolarHBondContact N-O 3.22Å; H827-F836 PolarHBondContact O-N 3.38Å; H827-S838 VanDerWaalsContact CD2-C 3.43Å; H827-S839 PolarHBondContact CD2-N 3.39Å; H827-V842 HydrophobicContact CB-CG2 3.44Å; H827-V842 VanDerWaalsContact CB-CG2 3.44Å; H827-V842 VanDerWaalsContact O-CG2 3.3Å; H827-V842 WeakPolarHBondContact O-CG2 3.45Å
828	Q	85.3	Confident	64.9	Low	111 Å²	111	105.9 Å²	105.9	52%	0.519	57%	0.571	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-94.2	139.1	-178.2	-164.9	165.3	27.5	0	0	110.8	C833 K834 L835	Q828-C833 WeakPolarHBondContact CG-O 3.44Å; Q828-C833 PolarHBondContact NE2-O 3.26Å; Q828-K834 WeakPolarHBondContact CA-O 3.28Å; Q828-L835 HydrophobicContact CB-CD2 3.83Å; Q828-L835 HydrophobicContact CG-CD2 3.89Å
829	C	83.4	Confident	67.3	Low	0 Å²	0	97.5 Å²	97.5	0%	0	55%	0.551	C	S	.	*	P	Polyproline II helix	trans	-75.8	124.1	166.7	-178.3	0	0	0	0	109.5	I831 C833 K834 F836 V842	C829-I831 PolarHBondContact O-N 2.8Å; C829-C833 VanDerWaalsContact O-CA 3.25Å; C829-C833 WeakPolarHBondContact O-CA 3.45Å; C829-C833 PolarHBondContact O-N 2.94Å; C829-K834 PolarHBondContact N-O 3.1Å; C829-F836 HydrophobicContact CB-CE2 4.15Å; C829-V842 HydrophobicContact CB-CG1 4.25Å
830	P	80.1	Confident	69.9	Low	98 Å²	98	95.5 Å²	95.5	64%	0.636	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-20.2	-177.2	26.4	-33.8	0	0	0	113.6
831	I	83.1	Confident	72.1	Confident	98 Å²	98	91.9 Å²	91.9	50%	0.503	51%	0.507	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-32.9	-173.8	-56.1	170.1	0	0	0	112.3	C829 H849	C829-I831 PolarHBondContact O-N 2.8Å; I831-H849 HydrophobicContact CD1-CB 3.57Å; I831-H849 HydrophobicContact CG2-CB 4.23Å; I831-H849 WeakPolarHBondContact CG2-ND1 3.5Å
832	C	84.9	Confident	74.5	Confident	38 Å²	38	89.5 Å²	89.5	26%	0.257	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.3	13	-176.7	69.6	0	0	0	0	114.6	K834 H845 H849	C832-K834 PolarHBondContact O-N 3.17Å; C832-H845 PolarHBondContact SG-NE2 2.58Å; C832-H849 PolarHBondContact SG-NE2 3.46Å
833	C	79.3	Confident	76.2	Confident	83 Å²	83	81.7 Å²	81.7	56%	0.561	46%	0.455	S	S	*	.			trans	56.2	7.6	175.8	-65.5	0	0	0	0	116.8	Q828 C829	Q828-C833 WeakPolarHBondContact CG-O 3.44Å; Q828-C833 PolarHBondContact NE2-O 3.26Å; C829-C833 VanDerWaalsContact O-CA 3.25Å; C829-C833 WeakPolarHBondContact O-CA 3.45Å; C829-C833 PolarHBondContact O-N 2.94Å
834	K	79.7	Confident	78.5	Confident	111 Å²	111	73.6 Å²	73.6	48%	0.483	43%	0.429	S	S	.	.			trans	-67	139.8	177.4	-69.9	172.3	-163.3	153.6	0	111.4	Q828 C829 C832 F836	Q828-K834 WeakPolarHBondContact CA-O 3.28Å; C829-K834 PolarHBondContact N-O 3.1Å; C832-K834 PolarHBondContact O-N 3.17Å; K834-F836 HydrophobicContact CB-CE2 3.62Å; K834-F836 HydrophobicContact CB-CZ 4.09Å; K834-F836 WeakPolarHBondContact O-CD2 3.29Å; K834-F836 WeakPolarHBondContact O-CE2 3.42Å
835	L	81.8	Confident	80.3	Confident	73 Å²	73	69.6 Å²	69.6	38%	0.382	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	136.3	-179.6	-62.6	176.5	0	0	0	111.7	L803 A826 Q828	L803-L835 HydrophobicContact CD2-CB 4.3Å; A826-L835 HydrophobicContact CB-CB 4.48Å; A826-L835 HydrophobicContact CB-CD2 4.34Å; Q828-L835 HydrophobicContact CB-CD2 3.83Å; Q828-L835 HydrophobicContact CG-CD2 3.89Å
836	F	82.4	Confident	81.7	Confident	49 Å²	49	64.2 Å²	64.2	22%	0.215	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	154.4	-178.9	-64.6	-94.1	0	0	0	111.4	A826 H827 C829 K834 S838 A841 V842 H845	A826-F836 WeakPolarHBondContact CA-O 3.2Å; H827-F836 PolarHBondContact N-O 3.22Å; H827-F836 PolarHBondContact O-N 3.38Å; C829-F836 HydrophobicContact CB-CE2 4.15Å; K834-F836 HydrophobicContact CB-CE2 3.62Å; K834-F836 HydrophobicContact CB-CZ 4.09Å; K834-F836 WeakPolarHBondContact O-CD2 3.29Å; K834-F836 WeakPolarHBondContact O-CE2 3.42Å; F836-S838 VanDerWaalsContact C-N 3.31Å; F836-S838 PolarHBondContact O-N 3.47Å; F836-A841 HydrophobicContact CB-CB 4.01Å; F836-A841 HydrophobicContact CD1-CB 3.96Å; F836-A841 HydrophobicContact CG-CB 4.31Å; F836-V842 HydrophobicContact CB-CG2 3.8Å; F836-V842 HydrophobicContact CD2-CG2 3.75Å; F836-V842 HydrophobicContact CG-CG2 4.02Å; F836-H845 HydrophobicContact CE1-CB 4Å; F836-H845 HydrophobicContact CE2-CB 4.11Å; F836-H845 AromaticContact CE2-CD2 3.44Å; F836-H845 VanDerWaalsContact CE2-CD2 3.44Å; F836-H845 WeakPolarHBondContact CE2-CD2 3.25Å; F836-H845 AromaticContact CE2-CG 3.92Å; F836-H845 HydrophobicContact CZ-CB 3.64Å; F836-H845 AromaticContact CZ-CD2 3.22Å; F836-H845 WeakPolarHBondContact CZ-CD2 3.49Å; F836-H845 AromaticContact CZ-CG 3.35Å; F836-H845 AromaticContact CZ-NE2 3.89Å
837	V	78.6	Confident	82.5	Confident	126 Å²	126	64.6 Å²	64.6	76%	0.764	37%	0.366	S	S	*	.	S	Bend	trans	-74.2	-21	-176.9	-173.8	0	0	0	0	112.5
838	S	81.8	Confident	82.8	Confident	40 Å²	40	64.7 Å²	64.7	28%	0.28	37%	0.371	S	S	.	.	S	Bend	trans	-142.6	154.8	179.1	69.2	0	0	0	0	112.7	H827 F836 S840 A841 V842	H827-S838 VanDerWaalsContact CD2-C 3.43Å; F836-S838 VanDerWaalsContact C-N 3.31Å; F836-S838 PolarHBondContact O-N 3.47Å; S838-S840 VanDerWaalsContact C-N 3.26Å; S838-S840 PolarHBondContact O-N 2.98Å; S838-S840 PolarHBondContact OG-OG 2.96Å; S838-A841 PolarHBondContact O-N 3.18Å; S838-A841 VanDerWaalsContact O-N 3.16Å; S838-A841 WeakPolarHBondContact OG-CB 3.44Å; S838-A841 PolarHBondContact OG-N 3.35Å; S838-A841 VanDerWaalsContact OG-N 3.14Å; S838-V842 PolarHBondContact O-N 3.49Å
839	S	79.3	Confident	82.6	Confident	72 Å²	72	62.9 Å²	62.9	50%	0.503	36%	0.363	S	S	.	.	H	α-helix	trans	-60.2	-35.5	171.1	51.2	0	0	0	0	112.5	H827 A841 V842 A843	H827-S839 PolarHBondContact CD2-N 3.39Å; S839-A841 VanDerWaalsContact C-N 3.28Å; S839-A841 PolarHBondContact O-N 2.99Å; S839-V842 PolarHBondContact O-N 3.21Å; S839-V842 VanDerWaalsContact O-N 3.14Å; S839-A843 PolarHBondContact O-N 2.99Å
840	S	82.9	Confident	82.5	Confident	81 Å²	81	66.8 Å²	66.8	57%	0.566	39%	0.387	S	S	*	.	H	α-helix	trans	-62.6	-33.1	175.1	53.6	0	0	0	0	112.9	S838 L844	S838-S840 VanDerWaalsContact C-N 3.26Å; S838-S840 PolarHBondContact O-N 2.98Å; S838-S840 PolarHBondContact OG-OG 2.96Å; S840-L844 VanDerWaalsContact O-CB 3.27Å; S840-L844 WeakPolarHBondContact O-CB 3.15Å; S840-L844 PolarHBondContact O-N 2.82Å
841	A	82.9	Confident	82.6	Confident	29 Å²	29	63.8 Å²	63.8	24%	0.24	37%	0.373	C	S	.	.	H	α-helix	trans	-74.1	-32.5	173.7	0	0	0	0	0	112.1	F836 S838 S839 H845	F836-A841 HydrophobicContact CB-CB 4.01Å; F836-A841 HydrophobicContact CD1-CB 3.96Å; F836-A841 HydrophobicContact CG-CB 4.31Å; S838-A841 PolarHBondContact O-N 3.18Å; S838-A841 VanDerWaalsContact O-N 3.16Å; S838-A841 WeakPolarHBondContact OG-CB 3.44Å; S838-A841 PolarHBondContact OG-N 3.35Å; S838-A841 VanDerWaalsContact OG-N 3.14Å; S839-A841 VanDerWaalsContact C-N 3.28Å; S839-A841 PolarHBondContact O-N 2.99Å; A841-H845 VanDerWaalsContact O-CB 3.29Å; A841-H845 WeakPolarHBondContact O-CB 3.42Å; A841-H845 PolarHBondContact O-N 3.05Å
842	V	84.5	Confident	82.6	Confident	10 Å²	10	63.1 Å²	63.1	6%	0.061	37%	0.368	C	S	.	.	H	α-helix	trans	-66.1	-49.4	170	-179.8	0	0	0	0	111.3	H827 C829 F836 S838 S839 L844 H845 Q846	H827-V842 HydrophobicContact CB-CG2 3.44Å; H827-V842 VanDerWaalsContact CB-CG2 3.44Å; H827-V842 VanDerWaalsContact O-CG2 3.3Å; H827-V842 WeakPolarHBondContact O-CG2 3.45Å; C829-V842 HydrophobicContact CB-CG1 4.25Å; F836-V842 HydrophobicContact CB-CG2 3.8Å; F836-V842 HydrophobicContact CD2-CG2 3.75Å; F836-V842 HydrophobicContact CG-CG2 4.02Å; S838-V842 PolarHBondContact O-N 3.49Å; S839-V842 PolarHBondContact O-N 3.21Å; S839-V842 VanDerWaalsContact O-N 3.14Å; V842-L844 VanDerWaalsContact C-N 3.29Å; V842-L844 PolarHBondContact O-N 2.81Å; V842-H845 CarbonylContact O-C 3.56Å; V842-H845 WeakPolarHBondContact O-CA 3.48Å; V842-H845 WeakPolarHBondContact O-CB 3.36Å; V842-H845 PolarHBondContact O-N 3.47Å; V842-Q846 HydrophobicContact CG1-CG 4.24Å; V842-Q846 WeakPolarHBondContact O-CG 3.48Å; V842-Q846 PolarHBondContact O-N 3.41Å
843	A	83.2	Confident	82.7	Confident	49 Å²	49	66.9 Å²	66.9	41%	0.405	38%	0.377	S	S	.	.	H	α-helix	trans	-58.7	-41.4	178.5	0	0	0	0	0	111.9	S839 H845 Q846	S839-A843 PolarHBondContact O-N 2.99Å; A843-H845 VanDerWaalsContact C-N 3.34Å; A843-Q846 PolarHBondContact O-N 2.81Å
844	L	86.1	Confident	82.9	Confident	56 Å²	56	65.5 Å²	65.5	29%	0.293	37%	0.367	S	S	.	.	H	α-helix	trans	-65.1	-35.3	172.1	174.9	57.3	0	0	0	112.8	S840 V842 Q866	S840-L844 VanDerWaalsContact O-CB 3.27Å; S840-L844 WeakPolarHBondContact O-CB 3.15Å; S840-L844 PolarHBondContact O-N 2.82Å; V842-L844 VanDerWaalsContact C-N 3.29Å; V842-L844 PolarHBondContact O-N 2.81Å; L844-Q866 HydrophobicContact CD1-CG 3.44Å; L844-Q866 VanDerWaalsContact CD1-CG 3.44Å; L844-Q866 HydrophobicContact CD2-CG 4.15Å; L844-Q866 HydrophobicContact CG-CG 4.43Å
845	H	84.6	Confident	83.3	Confident	28 Å²	28	63.3 Å²	63.3	13%	0.13	36%	0.358	C	S	.	.	H	α-helix	trans	-73.7	-32.1	175.8	-173.4	45.6	0	0	0	113.1	C832 F836 A841 V842 A843 R847 V848 H849	C832-H845 PolarHBondContact SG-NE2 2.58Å; F836-H845 HydrophobicContact CE1-CB 4Å; F836-H845 HydrophobicContact CE2-CB 4.11Å; F836-H845 AromaticContact CE2-CD2 3.44Å; F836-H845 VanDerWaalsContact CE2-CD2 3.44Å; F836-H845 WeakPolarHBondContact CE2-CD2 3.25Å; F836-H845 AromaticContact CE2-CG 3.92Å; F836-H845 HydrophobicContact CZ-CB 3.64Å; F836-H845 AromaticContact CZ-CD2 3.22Å; F836-H845 WeakPolarHBondContact CZ-CD2 3.49Å; F836-H845 AromaticContact CZ-CG 3.35Å; F836-H845 AromaticContact CZ-NE2 3.89Å; A841-H845 VanDerWaalsContact O-CB 3.29Å; A841-H845 WeakPolarHBondContact O-CB 3.42Å; A841-H845 PolarHBondContact O-N 3.05Å; V842-H845 CarbonylContact O-C 3.56Å; V842-H845 WeakPolarHBondContact O-CA 3.48Å; V842-H845 WeakPolarHBondContact O-CB 3.36Å; V842-H845 PolarHBondContact O-N 3.47Å; A843-H845 VanDerWaalsContact C-N 3.34Å; H845-R847 PolarHBondContact O-N 3.23Å; H845-V848 WeakPolarHBondContact O-CA 3.49Å; H845-V848 WeakPolarHBondContact O-CB 3.48Å; H845-V848 WeakPolarHBondContact O-CG2 3.47Å; H845-V848 PolarHBondContact O-N 3.07Å; H845-H849 AromaticContact NE2-NE2 3.61Å
846	Q	83.9	Confident	83.6	Confident	66 Å²	66	62 Å²	62	31%	0.308	35%	0.353	S	S	.	.	H	α-helix	trans	-59.5	-33.3	176.2	-75.3	169.3	-70.6	0	0	111.5	V842 A843 V848 H849 T850	V842-Q846 HydrophobicContact CG1-CG 4.24Å; V842-Q846 WeakPolarHBondContact O-CG 3.48Å; V842-Q846 PolarHBondContact O-N 3.41Å; A843-Q846 PolarHBondContact O-N 2.81Å; Q846-V848 PolarHBondContact O-N 2.91Å; Q846-V848 VanDerWaalsContact O-N 3.09Å; Q846-H849 WeakPolarHBondContact O-CA 3.17Å; Q846-H849 WeakPolarHBondContact O-CB 3.43Å; Q846-H849 PolarHBondContact O-N 3.25Å; Q846-T850 PolarHBondContact O-N 2.88Å; Q846-T850 PolarHBondContact O-OG1 3.45Å
847	R	87.1	Confident	84.1	Confident	68 Å²	68	59.7 Å²	59.7	26%	0.257	34%	0.344	S	S	.	.	H	α-helix	trans	-60.3	-16.2	170	-59.6	-168.1	175.6	142.3	7.1	115.3	H845 T850 G851 E852 R865	H845-R847 PolarHBondContact O-N 3.23Å; R847-T850 WeakPolarHBondContact CA-OG1 3.41Å; R847-G851 CarbonylContact O-C 3.58Å; R847-G851 PolarHBondContact O-N 2.62Å; R847-E852 HydrophobicContact CB-CB 3.99Å; R847-E852 HydrophobicContact CG-CB 3.83Å; R847-E852 IonicContact NE-OE2 3.56Å; R847-E852 PolarHBondContact NE-OE2 3.3Å; R847-R865 PolarHBondContact NH1-O 3.45Å; R847-R865 PolarHBondContact O-NE 3.01Å; R847-R865 PolarHBondContact O-NH2 3.06Å
848	V	84.2	Confident	84.6	Confident	72 Å²	72	62 Å²	62	44%	0.436	35%	0.346	S	S	.	.	H	α-helix	trans	-73.6	-35.6	170.4	-174.1	0	0	0	0	110.5	H845 Q846 R865	H845-V848 WeakPolarHBondContact O-CA 3.49Å; H845-V848 WeakPolarHBondContact O-CB 3.48Å; H845-V848 WeakPolarHBondContact O-CG2 3.47Å; H845-V848 PolarHBondContact O-N 3.07Å; Q846-V848 PolarHBondContact O-N 2.91Å; Q846-V848 VanDerWaalsContact O-N 3.09Å; V848-R865 PolarHBondContact O-NH2 3.39Å
849	H	81.3	Confident	84.8	Confident	74 Å²	74	64.4 Å²	64.4	34%	0.343	36%	0.358	S	S	.	.	H	α-helix	trans	-82.5	-46.7	177.7	-64.2	-74	0	0	0	112.7	I831 C832 H845 Q846 G851	I831-H849 HydrophobicContact CD1-CB 3.57Å; I831-H849 HydrophobicContact CG2-CB 4.23Å; I831-H849 WeakPolarHBondContact CG2-ND1 3.5Å; C832-H849 PolarHBondContact SG-NE2 3.46Å; H845-H849 AromaticContact NE2-NE2 3.61Å; Q846-H849 WeakPolarHBondContact O-CA 3.17Å; Q846-H849 WeakPolarHBondContact O-CB 3.43Å; Q846-H849 PolarHBondContact O-N 3.25Å; H849-G851 PolarHBondContact O-N 2.97Å
850	T	80.2	Confident	85.2	Confident	81 Å²	81	63.1 Å²	63.1	50%	0.497	35%	0.349	S	S	.	.	S	Bend	trans	-77	-0.2	179.6	60.9	0	0	0	0	113.8	Q846 R847 E852	Q846-T850 PolarHBondContact O-N 2.88Å; Q846-T850 PolarHBondContact O-OG1 3.45Å; R847-T850 WeakPolarHBondContact CA-OG1 3.41Å; T850-E852 WeakPolarHBondContact CB-OE1 3.5Å; T850-E852 PolarHBondContact O-N 3.1Å; T850-E852 WeakPolarHBondContact OG1-CG 3.23Å; T850-E852 PolarHBondContact OG1-OE1 3.44Å
851	G	83.1	Confident	85.3	Confident	35 Å²	35	61.6 Å²	61.6	36%	0.361	35%	0.346	S	S	.	.			trans	72.3	-23.1	-176.7	0	0	0	0	0	115.3	R847 H849 R853	R847-G851 CarbonylContact O-C 3.58Å; R847-G851 PolarHBondContact O-N 2.62Å; H849-G851 PolarHBondContact O-N 2.97Å; G851-R853 WeakPolarHBondContact O-CG 3.43Å; G851-R853 PolarHBondContact O-N 3.13Å
852	E	83.2	Confident	85.6	Confident	85 Å²	85	65.7 Å²	65.7	40%	0.397	36%	0.359	S	S	.	.			trans	-33.9	120.8	-174.7	-84.1	171.1	-110.2	0	0	115.3	R847 T850 R865	R847-E852 HydrophobicContact CB-CB 3.99Å; R847-E852 HydrophobicContact CG-CB 3.83Å; R847-E852 IonicContact NE-OE2 3.56Å; R847-E852 PolarHBondContact NE-OE2 3.3Å; T850-E852 WeakPolarHBondContact CB-OE1 3.5Å; T850-E852 PolarHBondContact O-N 3.1Å; T850-E852 WeakPolarHBondContact OG1-CG 3.23Å; T850-E852 PolarHBondContact OG1-OE1 3.44Å; E852-R865 WeakPolarHBondContact O-CG 3.43Å
853	R	85.7	Confident	85.8	Confident	117 Å²	117	71.9 Å²	71.9	44%	0.442	38%	0.381	S	S	.	.			trans	-125.7	80.9	171.1	-67.5	156.7	-178.3	-126.5	22.5	109.8	G851 F855 R863 F864 R865	G851-R853 WeakPolarHBondContact O-CG 3.43Å; G851-R853 PolarHBondContact O-N 3.13Å; R853-F855 PolarHBondContact O-N 3.23Å; R853-R863 HydrophobicContact CB-CB 3.47Å; R853-R863 VanDerWaalsContact CB-CB 3.47Å; R853-R863 WeakPolarHBondContact CD-O 3.47Å; R853-R863 HydrophobicContact CG-CB 4.37Å; R853-R863 PolarHBondContact NH1-O 3.1Å; R853-R863 PolarHBondContact O-NE 3.22Å; R853-F864 CarbonylContact C-O 3.57Å; R853-F864 VanDerWaalsContact C-O 3.3Å; R853-F864 WeakPolarHBondContact CA-O 3.41Å; R853-R865 HydrophobicContact CG-CG 4.03Å
854	P	84.1	Confident	86.1	Confident	53 Å²	53	71.6 Å²	71.6	34%	0.344	37%	0.371	S	S	.	.			trans	-70	-13.1	-172.1	-21.4	35	0	0	0	115	P856	P854-P856 WeakPolarHBondContact O-CD 3.33Å
855	F	89.4	Confident	86.1	Confident	66 Å²	66	72.6 Å²	72.6	29%	0.289	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	90	-172.1	-56.8	-76.6	0	0	0	110.9	R853 F864 L870	R853-F855 PolarHBondContact O-N 3.23Å; F855-F864 HydrophobicContact CB-CB 4.39Å; F855-F864 PolarHBondContact N-O 2.89Å; F855-F864 VanDerWaalsContact N-O 3.15Å; F855-F864 PolarHBondContact O-N 3.37Å; F855-L870 HydrophobicContact CB-CB 4.23Å; F855-L870 HydrophobicContact CB-CD2 3.89Å
856	P	88.1	Confident	86.2	Confident	45 Å²	45	74 Å²	74	29%	0.292	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	149.4	173.2	31.1	-35.3	0	0	0	111.8	P854 R863 L870	P854-P856 WeakPolarHBondContact O-CD 3.33Å; P856-R863 HydrophobicContact CB-CG 4.2Å; P856-L870 VanDerWaalsContact O-CD2 3.29Å; P856-L870 WeakPolarHBondContact O-CD2 3.38Å
857	C	91.8	Very high	86.2	Confident	1 Å²	1	73.2 Å²	73.2	1%	0.007	38%	0.379	C	S	.	.			trans	-88.2	122.1	163.5	179.1	0	0	0	0	109.7	V859 G861 K862 F864 L870 M874 H877	C857-V859 PolarHBondContact O-N 2.77Å; C857-G861 VanDerWaalsContact O-CA 3.26Å; C857-G861 WeakPolarHBondContact O-CA 3.48Å; C857-G861 PolarHBondContact O-N 2.63Å; C857-K862 WeakPolarHBondContact CB-O 3.35Å; C857-K862 PolarHBondContact N-O 3.26Å; C857-F864 HydrophobicContact CB-CE2 4.29Å; C857-L870 HydrophobicContact CB-CD1 3.73Å; C857-M874 PolarHBondContact SG-SD 3.39Å; C857-H877 PolarHBondContact SG-NE2 2.82Å
858	Q	88.8	Confident	86.2	Confident	175 Å²	175	72.8 Å²	72.8	82%	0.818	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-12.1	-179.2	-52.6	-61.4	48.6	0	0	113.9
859	V	86.9	Confident	86.3	Confident	89 Å²	89	73.5 Å²	73.5	54%	0.539	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-26.6	-177.6	-177.5	0	0	0	0	112.6	C857 M874 H877	C857-V859 PolarHBondContact O-N 2.77Å; V859-M874 HydrophobicContact CG2-CE 3.89Å; V859-H877 HydrophobicContact CG1-CB 4.2Å
860	C	87.8	Confident	86.7	Confident	46 Å²	46	71.3 Å²	71.3	31%	0.311	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-144.4	15.5	-177.3	70.4	0	0	0	0	114.8	K862 H873 H877	C860-K862 PolarHBondContact O-N 2.83Å; C860-H873 PolarHBondContact SG-NE2 2.96Å; C860-H877 WeakPolarHBondContact CB-CE1 3.37Å; C860-H877 PolarHBondContact SG-CE1 3.46Å; C860-H877 PolarHBondContact SG-NE2 3.41Å
861	G	85.1	Confident	87	Confident	49 Å²	49	75 Å²	75	51%	0.505	38%	0.378	S	S	.	.			trans	68.9	-22.4	179.1	0	0	0	0	0	116.2	C857 R863	C857-G861 VanDerWaalsContact O-CA 3.26Å; C857-G861 WeakPolarHBondContact O-CA 3.48Å; C857-G861 PolarHBondContact O-N 2.63Å; G861-R863 VanDerWaalsContact O-CG 3.25Å; G861-R863 WeakPolarHBondContact O-CG 3.36Å; G861-R863 PolarHBondContact O-N 3.1Å
862	K	88.3	Confident	87.2	Confident	115 Å²	115	76.5 Å²	76.5	50%	0.5	38%	0.376	S	S	.	.			trans	-53.9	122.8	-172.1	-66.5	-165.2	177.8	-161.5	0	111.4	C857 C860 F864	C857-K862 WeakPolarHBondContact CB-O 3.35Å; C857-K862 PolarHBondContact N-O 3.26Å; C860-K862 PolarHBondContact O-N 2.83Å; K862-F864 HydrophobicContact CB-CE2 4.12Å; K862-F864 HydrophobicContact CB-CZ 4.28Å; K862-F864 WeakPolarHBondContact O-CD2 3.45Å; K862-F864 WeakPolarHBondContact O-CE2 3.27Å
863	R	89.9	Confident	87.5	Confident	139 Å²	139	74 Å²	74	53%	0.525	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	135.2	-173.2	-51.9	-174.9	68.8	135.6	0.2	112.3	R853 P856 G861	R853-R863 HydrophobicContact CB-CB 3.47Å; R853-R863 VanDerWaalsContact CB-CB 3.47Å; R853-R863 WeakPolarHBondContact CD-O 3.47Å; R853-R863 HydrophobicContact CG-CB 4.37Å; R853-R863 PolarHBondContact NH1-O 3.1Å; R853-R863 PolarHBondContact O-NE 3.22Å; P856-R863 HydrophobicContact CB-CG 4.2Å; G861-R863 VanDerWaalsContact O-CG 3.25Å; G861-R863 WeakPolarHBondContact O-CG 3.36Å; G861-R863 PolarHBondContact O-N 3.1Å
864	F	88.3	Confident	87.6	Confident	43 Å²	43	71.2 Å²	71.2	19%	0.189	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	149.7	-175.8	-61.6	-88.7	0	0	0	112.7	R853 F855 C857 K862 Q866 H869 L870 H873	R853-F864 CarbonylContact C-O 3.57Å; R853-F864 VanDerWaalsContact C-O 3.3Å; R853-F864 WeakPolarHBondContact CA-O 3.41Å; F855-F864 HydrophobicContact CB-CB 4.39Å; F855-F864 PolarHBondContact N-O 2.89Å; F855-F864 VanDerWaalsContact N-O 3.15Å; F855-F864 PolarHBondContact O-N 3.37Å; C857-F864 HydrophobicContact CB-CE2 4.29Å; K862-F864 HydrophobicContact CB-CE2 4.12Å; K862-F864 HydrophobicContact CB-CZ 4.28Å; K862-F864 WeakPolarHBondContact O-CD2 3.45Å; K862-F864 WeakPolarHBondContact O-CE2 3.27Å; F864-Q866 VanDerWaalsContact C-N 3.3Å; F864-H869 HydrophobicContact CB-CB 4.36Å; F864-H869 HydrophobicContact CD1-CB 3.9Å; F864-H869 HydrophobicContact CG-CB 4.41Å; F864-L870 HydrophobicContact CB-CB 4.29Å; F864-L870 HydrophobicContact CD2-CB 4Å; F864-L870 HydrophobicContact CD2-CD1 3.9Å; F864-L870 HydrophobicContact CE2-CD1 4.12Å; F864-L870 HydrophobicContact CG-CB 4.28Å; F864-H873 HydrophobicContact CE1-CB 4.03Å; F864-H873 HydrophobicContact CE2-CB 3.99Å; F864-H873 AromaticContact CE2-CD2 3.37Å; F864-H873 WeakPolarHBondContact CE2-CD2 3.42Å; F864-H873 AromaticContact CE2-CG 3.74Å; F864-H873 HydrophobicContact CZ-CB 3.53Å; F864-H873 AromaticContact CZ-CD2 3.41Å; F864-H873 VanDerWaalsContact CZ-CD2 3.41Å; F864-H873 WeakPolarHBondContact CZ-CD2 3.41Å; F864-H873 AromaticContact CZ-CG 3.31Å; F864-H873 AromaticContact CZ-ND1 3.93Å
865	R	86.3	Confident	87.8	Confident	77 Å²	77	71.6 Å²	71.6	29%	0.291	35%	0.351	S	S	.	.	S	Bend	trans	-75.2	-17.3	175.1	-58.9	-169.2	159.3	119.7	-8.6	113.6	R847 V848 E852 R853	R847-R865 PolarHBondContact NH1-O 3.45Å; R847-R865 PolarHBondContact O-NE 3.01Å; R847-R865 PolarHBondContact O-NH2 3.06Å; V848-R865 PolarHBondContact O-NH2 3.39Å; E852-R865 WeakPolarHBondContact O-CG 3.43Å; R853-R865 HydrophobicContact CG-CG 4.03Å
866	Q	85.9	Confident	87.6	Confident	57 Å²	57	72.5 Å²	72.5	27%	0.266	36%	0.362	S	S	.	.	S	Bend	trans	-138.7	142.8	-176.6	-61.2	-176.1	50.7	0	0	112.3	L844 F864 T868 H869 L870	L844-Q866 HydrophobicContact CD1-CG 3.44Å; L844-Q866 VanDerWaalsContact CD1-CG 3.44Å; L844-Q866 HydrophobicContact CD2-CG 4.15Å; L844-Q866 HydrophobicContact CG-CG 4.43Å; F864-Q866 VanDerWaalsContact C-N 3.3Å; Q866-T868 VanDerWaalsContact C-N 3.29Å; Q866-T868 VanDerWaalsContact CB-OG1 3.32Å; Q866-T868 WeakPolarHBondContact CB-OG1 3.47Å; Q866-T868 PolarHBondContact O-N 3.42Å; Q866-T868 PolarHBondContact OE1-OG1 2.93Å; Q866-H869 HydrophobicContact CB-CB 4.38Å; Q866-H869 PolarHBondContact NE2-CE1 3.03Å; Q866-H869 VanDerWaalsContact NE2-CE1 3.34Å; Q866-H869 PolarHBondContact NE2-NE2 2.91Å; Q866-H869 PolarHBondContact O-N 3.09Å; Q866-L870 PolarHBondContact O-N 2.85Å; Q866-L870 VanDerWaalsContact O-N 3.13Å
867	S	85.8	Confident	87.5	Confident	50 Å²	50	74.2 Å²	74.2	35%	0.35	37%	0.366	S	S	.	.	H	α-helix	trans	-64.3	-29.6	172.2	175.7	0	0	0	0	113.3	L870 R871	S867-L870 PolarHBondContact O-N 3.07Å; S867-R871 WeakPolarHBondContact O-CB 3.45Å; S867-R871 PolarHBondContact O-N 3.38Å
868	T	85.6	Confident	87.1	Confident	59 Å²	59	78.1 Å²	78.1	36%	0.362	39%	0.39	S	S	.	.	H	α-helix	trans	-60.7	-51.4	172.2	41.7	0	0	0	0	111.4	Q866 L870 R871 E872	Q866-T868 VanDerWaalsContact C-N 3.29Å; Q866-T868 VanDerWaalsContact CB-OG1 3.32Å; Q866-T868 WeakPolarHBondContact CB-OG1 3.47Å; Q866-T868 PolarHBondContact O-N 3.42Å; Q866-T868 PolarHBondContact OE1-OG1 2.93Å; T868-L870 VanDerWaalsContact C-N 3.33Å; T868-L870 PolarHBondContact O-N 3.34Å; T868-R871 PolarHBondContact O-N 3.46Å; T868-R871 VanDerWaalsContact O-N 3.14Å; T868-E872 WeakPolarHBondContact O-CG 3.44Å; T868-E872 PolarHBondContact O-N 3.35Å
869	H	87.1	Confident	86.9	Confident	88 Å²	88	72 Å²	72	41%	0.407	37%	0.373	S	S	.	.	H	α-helix	trans	-63.7	-38.8	178.8	-62.8	-170.3	0	0	0	111.5	F864 Q866 E872 H873	F864-H869 HydrophobicContact CB-CB 4.36Å; F864-H869 HydrophobicContact CD1-CB 3.9Å; F864-H869 HydrophobicContact CG-CB 4.41Å; Q866-H869 HydrophobicContact CB-CB 4.38Å; Q866-H869 PolarHBondContact NE2-CE1 3.03Å; Q866-H869 VanDerWaalsContact NE2-CE1 3.34Å; Q866-H869 PolarHBondContact NE2-NE2 2.91Å; Q866-H869 PolarHBondContact O-N 3.09Å; H869-E872 PolarHBondContact O-N 3.23Å; H869-H873 VanDerWaalsContact O-CB 3.31Å; H869-H873 WeakPolarHBondContact O-CB 3.42Å; H869-H873 PolarHBondContact O-N 3.1Å
870	L	89.7	Confident	86.8	Confident	28 Å²	28	72.7 Å²	72.7	15%	0.147	37%	0.371	C	S	.	.	H	α-helix	trans	-60.1	-48.3	171.4	172.8	60.1	0	0	0	111.2	F855 P856 C857 F864 Q866 S867 T868 E872 H873 M874	F855-L870 HydrophobicContact CB-CB 4.23Å; F855-L870 HydrophobicContact CB-CD2 3.89Å; P856-L870 VanDerWaalsContact O-CD2 3.29Å; P856-L870 WeakPolarHBondContact O-CD2 3.38Å; C857-L870 HydrophobicContact CB-CD1 3.73Å; F864-L870 HydrophobicContact CB-CB 4.29Å; F864-L870 HydrophobicContact CD2-CB 4Å; F864-L870 HydrophobicContact CD2-CD1 3.9Å; F864-L870 HydrophobicContact CE2-CD1 4.12Å; F864-L870 HydrophobicContact CG-CB 4.28Å; Q866-L870 PolarHBondContact O-N 2.85Å; Q866-L870 VanDerWaalsContact O-N 3.13Å; S867-L870 PolarHBondContact O-N 3.07Å; T868-L870 VanDerWaalsContact C-N 3.33Å; T868-L870 PolarHBondContact O-N 3.34Å; L870-E872 VanDerWaalsContact C-N 3.32Å; L870-E872 PolarHBondContact O-N 2.77Å; L870-H873 CarbonylContact O-C 3.13Å; L870-H873 WeakPolarHBondContact O-CB 3.29Å; L870-H873 PolarHBondContact O-N 3.37Å; L870-H873 VanDerWaalsContact O-N 3.13Å; L870-M874 HydrophobicContact CD1-CG 4.16Å; L870-M874 HydrophobicContact CD1-SD 4.14Å; L870-M874 HydrophobicContact CG-CG 4.44Å; L870-M874 WeakPolarHBondContact O-CG 3.46Å; L870-M874 PolarHBondContact O-N 3.41Å
871	R	86.6	Confident	86.7	Confident	157 Å²	157	77.3 Å²	77.3	59%	0.592	38%	0.382	S	S	*	.	H	α-helix	trans	-61.9	-38.4	179.8	-171.1	-174.3	-59.6	141	5.7	112.7	S867 T868 M874	S867-R871 WeakPolarHBondContact O-CB 3.45Å; S867-R871 PolarHBondContact O-N 3.38Å; T868-R871 PolarHBondContact O-N 3.46Å; T868-R871 VanDerWaalsContact O-N 3.14Å; R871-M874 PolarHBondContact O-N 2.88Å
872	E	86.9	Confident	86.7	Confident	67 Å²	67	78.4 Å²	78.4	31%	0.313	38%	0.38	S	S	.	.	H	α-helix	trans	-69.8	-35.4	175	-71.5	172.6	-149.2	0	0	111.9	T868 H869 L870 R875 Q894	T868-E872 WeakPolarHBondContact O-CG 3.44Å; T868-E872 PolarHBondContact O-N 3.35Å; H869-E872 PolarHBondContact O-N 3.23Å; L870-E872 VanDerWaalsContact C-N 3.32Å; L870-E872 PolarHBondContact O-N 2.77Å; E872-R875 WeakPolarHBondContact O-CB 3.36Å; E872-R875 PolarHBondContact O-N 2.94Å; E872-Q894 PolarHBondContact OE2-NE2 3.25Å
873	H	88.6	Confident	86.8	Confident	33 Å²	33	76.1 Å²	76.1	15%	0.153	37%	0.37	C	S	.	.	H	α-helix	trans	-68	-36.8	172.1	173.7	62.4	0	0	0	113	C860 F864 H869 L870 R875 V876 H877	C860-H873 PolarHBondContact SG-NE2 2.96Å; F864-H873 HydrophobicContact CE1-CB 4.03Å; F864-H873 HydrophobicContact CE2-CB 3.99Å; F864-H873 AromaticContact CE2-CD2 3.37Å; F864-H873 WeakPolarHBondContact CE2-CD2 3.42Å; F864-H873 AromaticContact CE2-CG 3.74Å; F864-H873 HydrophobicContact CZ-CB 3.53Å; F864-H873 AromaticContact CZ-CD2 3.41Å; F864-H873 VanDerWaalsContact CZ-CD2 3.41Å; F864-H873 WeakPolarHBondContact CZ-CD2 3.41Å; F864-H873 AromaticContact CZ-CG 3.31Å; F864-H873 AromaticContact CZ-ND1 3.93Å; H869-H873 VanDerWaalsContact O-CB 3.31Å; H869-H873 WeakPolarHBondContact O-CB 3.42Å; H869-H873 PolarHBondContact O-N 3.1Å; L870-H873 CarbonylContact O-C 3.13Å; L870-H873 WeakPolarHBondContact O-CB 3.29Å; L870-H873 PolarHBondContact O-N 3.37Å; L870-H873 VanDerWaalsContact O-N 3.13Å; H873-R875 PolarHBondContact O-N 2.84Å; H873-R875 VanDerWaalsContact O-N 3.13Å; H873-V876 VanDerWaalsContact O-CB 3.23Å; H873-V876 WeakPolarHBondContact O-CB 3.01Å; H873-V876 WeakPolarHBondContact O-CG2 3.45Å; H873-V876 PolarHBondContact O-N 2.62Å; H873-H877 AromaticContact CD2-NE2 3.19Å; H873-H877 PolarHBondContact CD2-NE2 3.2Å; H873-H877 AromaticContact CE1-NE2 3.03Å; H873-H877 PolarHBondContact CE1-NE2 3.43Å; H873-H877 AromaticContact NE2-CD2 3.89Å; H873-H877 AromaticContact NE2-NE2 2.3Å; H873-H877 PolarHBondContact NE2-NE2 3.39Å
874	M	87.9	Confident	86.7	Confident	59 Å²	59	78.5 Å²	78.5	29%	0.291	38%	0.379	S	S	.	.	H	α-helix	trans	-57.9	-27.8	176.5	-71.3	-55.1	-58.9	0	0	112.9	C857 V859 L870 R871 V876 H877 T878	C857-M874 PolarHBondContact SG-SD 3.39Å; V859-M874 HydrophobicContact CG2-CE 3.89Å; L870-M874 HydrophobicContact CD1-CG 4.16Å; L870-M874 HydrophobicContact CD1-SD 4.14Å; L870-M874 HydrophobicContact CG-CG 4.44Å; L870-M874 WeakPolarHBondContact O-CG 3.46Å; L870-M874 PolarHBondContact O-N 3.41Å; R871-M874 PolarHBondContact O-N 2.88Å; M874-V876 PolarHBondContact O-N 3.29Å; M874-H877 PolarHBondContact O-N 2.89Å; M874-T878 PolarHBondContact O-N 2.74Å
875	R	88.7	Confident	86.8	Confident	60 Å²	60	76.6 Å²	76.6	23%	0.226	37%	0.371	C	S	.	.	H	α-helix	trans	-67.1	-17.3	173.6	-65.7	-178.7	174.6	151.8	5.6	114.4	E872 H873 G879 E880 I893	E872-R875 WeakPolarHBondContact O-CB 3.36Å; E872-R875 PolarHBondContact O-N 2.94Å; H873-R875 PolarHBondContact O-N 2.84Å; H873-R875 VanDerWaalsContact O-N 3.13Å; R875-G879 CarbonylContact O-C 3.56Å; R875-G879 WeakPolarHBondContact O-CA 3.45Å; R875-G879 PolarHBondContact O-N 3.27Å; R875-G879 VanDerWaalsContact O-N 3.16Å; R875-E880 HydrophobicContact CB-CB 4.12Å; R875-E880 HydrophobicContact CG-CB 3.96Å; R875-E880 IonicContact NE-OE2 3.39Å; R875-E880 PolarHBondContact O-N 3.48Å; R875-I893 HydrophobicContact CB-CD1 4.45Å; R875-I893 HydrophobicContact CB-CG1 4.33Å; R875-I893 HydrophobicContact CB-CG2 3.8Å; R875-I893 HydrophobicContact CG-CG2 4.47Å; R875-I893 PolarHBondContact NH1-O 3.41Å; R875-I893 VanDerWaalsContact NH1-O 3.09Å
876	V	86.7	Confident	86.8	Confident	85 Å²	85	81.5 Å²	81.5	52%	0.515	40%	0.397	S	S	.	.	H	α-helix	trans	-68.5	-40.9	169.7	-176	0	0	0	0	109.4	H873 M874 I893	H873-V876 VanDerWaalsContact O-CB 3.23Å; H873-V876 WeakPolarHBondContact O-CB 3.01Å; H873-V876 WeakPolarHBondContact O-CG2 3.45Å; H873-V876 PolarHBondContact O-N 2.62Å; M874-V876 PolarHBondContact O-N 3.29Å; V876-I893 HydrophobicContact CB-CD1 4.49Å; V876-I893 HydrophobicContact CG2-CD1 3.76Å
877	H	85.8	Confident	86.7	Confident	81 Å²	81	83.4 Å²	83.4	38%	0.375	41%	0.413	S	S	.	.	H	α-helix	trans	-76.6	-40.4	179.5	-59.2	-56.5	0	0	0	113	C857 V859 C860 H873 M874 G879	C857-H877 PolarHBondContact SG-NE2 2.82Å; V859-H877 HydrophobicContact CG1-CB 4.2Å; C860-H877 WeakPolarHBondContact CB-CE1 3.37Å; C860-H877 PolarHBondContact SG-CE1 3.46Å; C860-H877 PolarHBondContact SG-NE2 3.41Å; H873-H877 AromaticContact CD2-NE2 3.19Å; H873-H877 PolarHBondContact CD2-NE2 3.2Å; H873-H877 AromaticContact CE1-NE2 3.03Å; H873-H877 PolarHBondContact CE1-NE2 3.43Å; H873-H877 AromaticContact NE2-CD2 3.89Å; H873-H877 AromaticContact NE2-NE2 2.3Å; H873-H877 PolarHBondContact NE2-NE2 3.39Å; M874-H877 PolarHBondContact O-N 2.89Å; H877-G879 VanDerWaalsContact C-N 3.26Å; H877-G879 PolarHBondContact O-N 3.02Å
878	T	83.3	Confident	86.8	Confident	84 Å²	84	83.5 Å²	83.5	52%	0.515	41%	0.413	S	S	.	.	S	Bend	trans	-80.5	-4.5	177	65.3	0	0	0	0	113.9	M874 E880	M874-T878 PolarHBondContact O-N 2.74Å; T878-E880 PolarHBondContact O-N 2.9Å; T878-E880 VanDerWaalsContact O-N 3.08Å; T878-E880 WeakPolarHBondContact OG1-CG 3.41Å
879	G	84.1	Confident	86.7	Confident	45 Å²	45	83.3 Å²	83.3	46%	0.464	42%	0.423	S	S	.	.			trans	66.9	1	-174.7	0	0	0	0	0	115.1	R875 H877 R881	R875-G879 CarbonylContact O-C 3.56Å; R875-G879 WeakPolarHBondContact O-CA 3.45Å; R875-G879 PolarHBondContact O-N 3.27Å; R875-G879 VanDerWaalsContact O-N 3.16Å; H877-G879 VanDerWaalsContact C-N 3.26Å; H877-G879 PolarHBondContact O-N 3.02Å; G879-R881 PolarHBondContact O-N 3.35Å; G879-R881 VanDerWaalsContact O-N 3.14Å
880	E	84.3	Confident	86.7	Confident	104 Å²	104	85.4 Å²	85.4	49%	0.486	43%	0.43	S	S	.	.			trans	-57.3	115.8	-176.7	-86.6	-177.4	-154.6	0	0	112.2	R875 T878 P882	R875-E880 HydrophobicContact CB-CB 4.12Å; R875-E880 HydrophobicContact CG-CB 3.96Å; R875-E880 IonicContact NE-OE2 3.39Å; R875-E880 PolarHBondContact O-N 3.48Å; T878-E880 PolarHBondContact O-N 2.9Å; T878-E880 VanDerWaalsContact O-N 3.08Å; T878-E880 WeakPolarHBondContact OG1-CG 3.41Å; E880-P882 WeakPolarHBondContact O-CD 3.3Å
881	R	87.1	Confident	86.6	Confident	144 Å²	144	84.6 Å²	84.6	54%	0.543	43%	0.429	S	S	.	.			trans	-122.4	77.4	176.8	-73.3	163.8	-178.2	-112.8	10	110.4	G879 F883 G891 F892 I893	G879-R881 PolarHBondContact O-N 3.35Å; G879-R881 VanDerWaalsContact O-N 3.14Å; R881-F883 PolarHBondContact O-N 3.15Å; R881-G891 WeakPolarHBondContact CD-O 3.33Å; R881-G891 PolarHBondContact NH1-O 3.14Å; R881-F892 CarbonylContact C-O 3.57Å; R881-F892 WeakPolarHBondContact CA-O 3.23Å; R881-I893 HydrophobicContact CG-CG1 4.2Å
882	P	84.7	Confident	86.7	Confident	71 Å²	71	79.3 Å²	79.3	46%	0.461	41%	0.411	S	S	.	.			trans	-65.8	-25.3	-173.8	-21.3	33.9	0	0	0	113.8	E880 R884	E880-P882 WeakPolarHBondContact O-CD 3.3Å; P882-R884 PolarHBondContact O-N 3.41Å
883	F	88.8	Confident	86.6	Confident	68 Å²	68	77.9 Å²	77.9	30%	0.298	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	89.9	-173.5	-55.4	-76.1	0	0	0	109.7	R881 F892 I893 Q894 L898	R881-F883 PolarHBondContact O-N 3.15Å; F883-F892 HydrophobicContact CB-CB 4.38Å; F883-F892 PolarHBondContact N-O 3.34Å; F883-F892 VanDerWaalsContact N-O 3.16Å; F883-F892 WeakPolarHBondContact O-CD2 3.31Å; F883-F892 PolarHBondContact O-N 3.27Å; F883-I893 WeakPolarHBondContact CE2-O 3.29Å; F883-Q894 VanDerWaalsContact CD2-C 3.4Å; F883-L898 HydrophobicContact CB-CB 4.02Å; F883-L898 HydrophobicContact CB-CD2 3.83Å
884	R	88.1	Confident	86.5	Confident	188 Å²	188	79 Å²	79	71%	0.709	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.6	147.1	179.1	-63.5	-179.5	-177.2	173.2	-1.8	111.8	P882 L898	P882-R884 PolarHBondContact O-N 3.41Å; R884-L898 WeakPolarHBondContact O-CD2 3.37Å
885	C	90.4	Very high	86.5	Confident	3 Å²	3	79 Å²	79	2%	0.02	42%	0.416	C	S	.	.			trans	-90.7	115.7	173.9	-172.5	0	0	0	0	110.6	T887 C888 G889 K890 F892 L898 H905	C885-T887 PolarHBondContact O-N 2.92Å; C885-C888 PolarHBondContact O-N 3.4Å; C885-G889 WeakPolarHBondContact O-CA 3.23Å; C885-G889 PolarHBondContact O-N 2.87Å; C885-K890 PolarHBondContact N-O 2.95Å; C885-F892 HydrophobicContact CB-CE2 4.49Å; C885-L898 HydrophobicContact CB-CD1 3.55Å; C885-H905 PolarHBondContact SG-NE2 3.47Å; C885-H905 VanDerWaalsContact SG-NE2 3.45Å
886	E	86.6	Confident	86.3	Confident	180 Å²	180	82 Å²	82	84%	0.841	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-38.2	178	-67.1	147.8	-171.9	0	0	112.4	C888	E886-C888 VanDerWaalsContact C-N 3.32Å; E886-C888 PolarHBondContact O-N 3.4Å
887	T	84.2	Confident	86.3	Confident	98 Å²	98	81.5 Å²	81.5	60%	0.601	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-18.9	-176	-38.1	0	0	0	0	114.5	C885 H905	C885-T887 PolarHBondContact O-N 2.92Å; T887-H905 HydrophobicContact CG2-CB 4.34Å
888	C	87.5	Confident	86.4	Confident	52 Å²	52	78.8 Å²	78.8	35%	0.351	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-154.2	10.4	-172.4	71.1	0	0	0	0	115.6	C885 E886 K890 H901 H905	C885-C888 PolarHBondContact O-N 3.4Å; E886-C888 VanDerWaalsContact C-N 3.32Å; E886-C888 PolarHBondContact O-N 3.4Å; C888-K890 PolarHBondContact O-N 3.06Å; C888-H901 PolarHBondContact SG-NE2 2.99Å; C888-H905 PolarHBondContact SG-NE2 3.06Å
889	G	84.1	Confident	86.5	Confident	55 Å²	55	77.9 Å²	77.9	57%	0.567	41%	0.409	S	S	*	.			trans	69.7	-18.1	-178.4	0	0	0	0	0	116.6	C885 G891	C885-G889 WeakPolarHBondContact O-CA 3.23Å; C885-G889 PolarHBondContact O-N 2.87Å; G889-G891 PolarHBondContact O-N 3.5Å
890	K	87.4	Confident	86.5	Confident	131 Å²	131	79.2 Å²	79.2	57%	0.57	40%	0.402	S	S	*	.			trans	-58.7	123.7	-170.7	-68.8	-177.1	179.1	-177	0	112.1	C885 C888 F892	C885-K890 PolarHBondContact N-O 2.95Å; C888-K890 PolarHBondContact O-N 3.06Å; K890-F892 HydrophobicContact CB-CE2 3.98Å; K890-F892 HydrophobicContact CB-CZ 4.15Å; K890-F892 WeakPolarHBondContact O-CD2 3.47Å; K890-F892 VanDerWaalsContact O-CE2 3.24Å; K890-F892 WeakPolarHBondContact O-CE2 3.35Å
891	G	87.9	Confident	86.7	Confident	12 Å²	12	75.5 Å²	75.5	12%	0.124	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	140.4	-178.5	0	0	0	0	0	114	R881 G889	R881-G891 WeakPolarHBondContact CD-O 3.33Å; R881-G891 PolarHBondContact NH1-O 3.14Å; G889-G891 PolarHBondContact O-N 3.5Å
892	F	87.6	Confident	86.6	Confident	45 Å²	45	75.3 Å²	75.3	20%	0.197	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	150.8	-178.9	-58.3	-88.8	0	0	0	112	R881 F883 C885 K890 H897 L898 H901	R881-F892 CarbonylContact C-O 3.57Å; R881-F892 WeakPolarHBondContact CA-O 3.23Å; F883-F892 HydrophobicContact CB-CB 4.38Å; F883-F892 PolarHBondContact N-O 3.34Å; F883-F892 VanDerWaalsContact N-O 3.16Å; F883-F892 WeakPolarHBondContact O-CD2 3.31Å; F883-F892 PolarHBondContact O-N 3.27Å; C885-F892 HydrophobicContact CB-CE2 4.49Å; K890-F892 HydrophobicContact CB-CE2 3.98Å; K890-F892 HydrophobicContact CB-CZ 4.15Å; K890-F892 WeakPolarHBondContact O-CD2 3.47Å; K890-F892 VanDerWaalsContact O-CE2 3.24Å; K890-F892 WeakPolarHBondContact O-CE2 3.35Å; F892-H897 HydrophobicContact CB-CB 4.28Å; F892-H897 HydrophobicContact CD1-CB 3.85Å; F892-H897 HydrophobicContact CG-CB 4.29Å; F892-L898 HydrophobicContact CB-CB 4.43Å; F892-L898 HydrophobicContact CD2-CB 4Å; F892-L898 HydrophobicContact CD2-CD1 4.06Å; F892-L898 HydrophobicContact CE2-CD1 4.25Å; F892-L898 HydrophobicContact CG-CB 4.4Å; F892-H901 HydrophobicContact CE1-CB 4.15Å; F892-H901 HydrophobicContact CE2-CB 3.86Å; F892-H901 AromaticContact CE2-CD2 3.43Å; F892-H901 VanDerWaalsContact CE2-CD2 3.43Å; F892-H901 WeakPolarHBondContact CE2-CD2 3.42Å; F892-H901 AromaticContact CE2-CG 3.77Å; F892-H901 HydrophobicContact CZ-CB 3.51Å; F892-H901 AromaticContact CZ-CD2 3.46Å; F892-H901 VanDerWaalsContact CZ-CD2 3.46Å; F892-H901 WeakPolarHBondContact CZ-CD2 3.5Å; F892-H901 AromaticContact CZ-CG 3.38Å
893	I	85.9	Confident	86.6	Confident	37 Å²	37	74.8 Å²	74.8	19%	0.19	37%	0.373	C	S	.	.	S	Bend	trans	-77.8	-25.2	-179.4	-67.6	174.6	0	0	0	112.3	R875 V876 R881 F883	R875-I893 HydrophobicContact CB-CD1 4.45Å; R875-I893 HydrophobicContact CB-CG1 4.33Å; R875-I893 HydrophobicContact CB-CG2 3.8Å; R875-I893 HydrophobicContact CG-CG2 4.47Å; R875-I893 PolarHBondContact NH1-O 3.41Å; R875-I893 VanDerWaalsContact NH1-O 3.09Å; V876-I893 HydrophobicContact CB-CD1 4.49Å; V876-I893 HydrophobicContact CG2-CD1 3.76Å; R881-I893 HydrophobicContact CG-CG1 4.2Å; F883-I893 WeakPolarHBondContact CE2-O 3.29Å
894	Q	85.4	Confident	86.3	Confident	58 Å²	58	74.6 Å²	74.6	27%	0.271	38%	0.378	S	S	.	.	S	Bend	trans	-132.5	142.9	-179.1	-69.7	176.3	-12.9	0	0	111.4	E872 F883 M896 H897 L898	E872-Q894 PolarHBondContact OE2-NE2 3.25Å; F883-Q894 VanDerWaalsContact CD2-C 3.4Å; Q894-M896 VanDerWaalsContact C-N 3.28Å; Q894-M896 PolarHBondContact O-N 2.89Å; Q894-H897 PolarHBondContact O-N 3.49Å; Q894-H897 PolarHBondContact OE1-CE1 3.06Å; Q894-L898 PolarHBondContact O-N 2.94Å
895	S	87.1	Confident	86.1	Confident	58 Å²	58	69.4 Å²	69.4	41%	0.406	36%	0.361	S	S	.	.	H	α-helix	trans	-62.1	-29.3	178.4	-177.1	0	0	0	0	114	H897 L898 T899	S895-H897 PolarHBondContact O-N 2.91Å; S895-L898 PolarHBondContact O-N 3.34Å; S895-T899 WeakPolarHBondContact O-CB 3.46Å; S895-T899 PolarHBondContact O-N 3.28Å; S895-T899 PolarHBondContact O-OG1 2.86Å
896	M	85.4	Confident	85.6	Confident	123 Å²	123	73.2 Å²	73.2	61%	0.606	39%	0.385	S	S	*	.	H	α-helix	trans	-61.9	-42.9	176.4	-173.6	178.5	70.5	0	0	111.7	Q894 T899 E900	Q894-M896 VanDerWaalsContact C-N 3.28Å; Q894-M896 PolarHBondContact O-N 2.89Å; M896-T899 WeakPolarHBondContact O-CB 3.41Å; M896-T899 PolarHBondContact O-N 3.3Å; M896-E900 PolarHBondContact O-N 3.11Å
897	H	85.9	Confident	85.3	Confident	74 Å²	74	66.7 Å²	66.7	34%	0.343	37%	0.366	S	S	.	.	H	α-helix	trans	-70.3	-34.3	178.8	-58.6	145	0	0	0	112.2	F892 Q894 S895 H901	F892-H897 HydrophobicContact CB-CB 4.28Å; F892-H897 HydrophobicContact CD1-CB 3.85Å; F892-H897 HydrophobicContact CG-CB 4.29Å; Q894-H897 PolarHBondContact O-N 3.49Å; Q894-H897 PolarHBondContact OE1-CE1 3.06Å; S895-H897 PolarHBondContact O-N 2.91Å; H897-H901 VanDerWaalsContact O-CB 3.25Å; H897-H901 WeakPolarHBondContact O-CB 3.36Å; H897-H901 PolarHBondContact O-N 2.83Å
898	L	88.9	Confident	85.1	Confident	24 Å²	24	66.7 Å²	66.7	13%	0.126	36%	0.359	C	S	.	.	H	α-helix	trans	-62.6	-44.2	168.6	173	60.6	0	0	0	111.3	F883 R884 C885 F892 Q894 S895 E900 H901 R902	F883-L898 HydrophobicContact CB-CB 4.02Å; F883-L898 HydrophobicContact CB-CD2 3.83Å; R884-L898 WeakPolarHBondContact O-CD2 3.37Å; C885-L898 HydrophobicContact CB-CD1 3.55Å; F892-L898 HydrophobicContact CB-CB 4.43Å; F892-L898 HydrophobicContact CD2-CB 4Å; F892-L898 HydrophobicContact CD2-CD1 4.06Å; F892-L898 HydrophobicContact CE2-CD1 4.25Å; F892-L898 HydrophobicContact CG-CB 4.4Å; Q894-L898 PolarHBondContact O-N 2.94Å; S895-L898 PolarHBondContact O-N 3.34Å; L898-E900 PolarHBondContact O-N 3.3Å; L898-H901 PolarHBondContact O-N 3.16Å; L898-R902 HydrophobicContact CD1-CG 4.31Å; L898-R902 WeakPolarHBondContact O-CG 3.4Å; L898-R902 PolarHBondContact O-N 2.96Å
899	T	85.4	Confident	84.8	Confident	66 Å²	66	71.4 Å²	71.4	41%	0.405	37%	0.369	S	S	.	.	H	α-helix	trans	-62.9	-42.1	178.5	-56.5	0	0	0	0	112	S895 M896 R902	S895-T899 WeakPolarHBondContact O-CB 3.46Å; S895-T899 PolarHBondContact O-N 3.28Å; S895-T899 PolarHBondContact O-OG1 2.86Å; M896-T899 WeakPolarHBondContact O-CB 3.41Å; M896-T899 PolarHBondContact O-N 3.3Å; T899-R902 PolarHBondContact O-N 3.1Å
900	E	84.5	Confident	84.7	Confident	72 Å²	72	72.2 Å²	72.2	34%	0.336	37%	0.365	S	S	.	.	H	α-helix	trans	-63.4	-43.9	171.9	179.1	175.9	170.4	0	0	111.7	M896 L898 R902 R903 T922	M896-E900 PolarHBondContact O-N 3.11Å; L898-E900 PolarHBondContact O-N 3.3Å; E900-R902 VanDerWaalsContact C-N 3.33Å; E900-R902 PolarHBondContact O-N 2.83Å; E900-R903 WeakPolarHBondContact O-CB 3.35Å; E900-R903 PolarHBondContact O-N 3.15Å; E900-R903 VanDerWaalsContact O-N 3.1Å; E900-T922 HydrophobicContact CG-CG2 3.71Å; E900-T922 WeakPolarHBondContact OE1-CG2 3.33Å; E900-T922 WeakPolarHBondContact OE2-CG2 3.16Å
901	H	87	Confident	84.6	Confident	26 Å²	26	68.4 Å²	68.4	12%	0.12	35%	0.349	C	S	.	.	H	α-helix	trans	-63.7	-35.3	178.6	-179.6	49.7	0	0	0	112.8	C888 F892 H897 L898 R903 T904 H905	C888-H901 PolarHBondContact SG-NE2 2.99Å; F892-H901 HydrophobicContact CE1-CB 4.15Å; F892-H901 HydrophobicContact CE2-CB 3.86Å; F892-H901 AromaticContact CE2-CD2 3.43Å; F892-H901 VanDerWaalsContact CE2-CD2 3.43Å; F892-H901 WeakPolarHBondContact CE2-CD2 3.42Å; F892-H901 AromaticContact CE2-CG 3.77Å; F892-H901 HydrophobicContact CZ-CB 3.51Å; F892-H901 AromaticContact CZ-CD2 3.46Å; F892-H901 VanDerWaalsContact CZ-CD2 3.46Å; F892-H901 WeakPolarHBondContact CZ-CD2 3.5Å; F892-H901 AromaticContact CZ-CG 3.38Å; H897-H901 VanDerWaalsContact O-CB 3.25Å; H897-H901 WeakPolarHBondContact O-CB 3.36Å; H897-H901 PolarHBondContact O-N 2.83Å; L898-H901 PolarHBondContact O-N 3.16Å; H901-R903 PolarHBondContact O-N 3.33Å; H901-T904 PolarHBondContact CE1-OG1 3.43Å; H901-T904 PolarHBondContact ND1-OG1 3.17Å; H901-T904 VanDerWaalsContact ND1-OG1 3.08Å; H901-T904 WeakPolarHBondContact O-CA 3.36Å; H901-T904 WeakPolarHBondContact O-CB 3.16Å; H901-T904 PolarHBondContact O-N 2.82Å; H901-T904 PolarHBondContact O-OG1 3.07Å; H901-H905 AromaticContact CD2-NE2 3.87Å; H901-H905 AromaticContact CE1-CE1 3.77Å; H901-H905 AromaticContact CE1-NE2 3.59Å; H901-H905 AromaticContact NE2-CE1 3.69Å; H901-H905 AromaticContact NE2-NE2 3.16Å; H901-H905 PolarHBondContact NE2-NE2 3.29Å; H901-H905 VanDerWaalsContact NE2-NE2 3.16Å
902	R	85.9	Confident	84.6	Confident	140 Å²	140	71.9 Å²	71.9	53%	0.528	37%	0.367	S	S	.	.	H	α-helix	trans	-58.8	-31.6	174.1	-72.8	-179.7	73.6	-146.8	2.3	112.4	L898 T899 E900 T904 H905 T906	L898-R902 HydrophobicContact CD1-CG 4.31Å; L898-R902 WeakPolarHBondContact O-CG 3.4Å; L898-R902 PolarHBondContact O-N 2.96Å; T899-R902 PolarHBondContact O-N 3.1Å; E900-R902 VanDerWaalsContact C-N 3.33Å; E900-R902 PolarHBondContact O-N 2.83Å; R902-T904 PolarHBondContact O-N 3.16Å; R902-H905 PolarHBondContact O-N 3.08Å; R902-T906 PolarHBondContact O-N 3.34Å; R902-T906 VanDerWaalsContact O-N 3.13Å
903	R	85.1	Confident	84.7	Confident	61 Å²	61	69.8 Å²	69.8	23%	0.23	36%	0.358	C	S	.	.	H	α-helix	trans	-70.2	-7.1	171.6	-55.2	-177.8	-171.3	138.1	10.1	114.2	E900 H901 G907 E908 K921	E900-R903 WeakPolarHBondContact O-CB 3.35Å; E900-R903 PolarHBondContact O-N 3.15Å; E900-R903 VanDerWaalsContact O-N 3.1Å; H901-R903 PolarHBondContact O-N 3.33Å; R903-G907 PolarHBondContact O-N 3.41Å; R903-E908 HydrophobicContact CB-CB 4.25Å; R903-E908 HydrophobicContact CG-CB 4.16Å; R903-K921 PolarHBondContact NH1-O 3.14Å; R903-K921 VanDerWaalsContact O-CE 3.31Å; R903-K921 WeakPolarHBondContact O-CE 3.42Å
904	T	82.7	Confident	84.7	Confident	64 Å²	64	72.6 Å²	72.6	39%	0.393	38%	0.379	S	S	.	.	H	α-helix	trans	-78.4	-26.6	166.4	73.6	0	0	0	0	112.5	H901 R902 K921	H901-T904 PolarHBondContact CE1-OG1 3.43Å; H901-T904 PolarHBondContact ND1-OG1 3.17Å; H901-T904 VanDerWaalsContact ND1-OG1 3.08Å; H901-T904 WeakPolarHBondContact O-CA 3.36Å; H901-T904 WeakPolarHBondContact O-CB 3.16Å; H901-T904 PolarHBondContact O-N 2.82Å; H901-T904 PolarHBondContact O-OG1 3.07Å; R902-T904 PolarHBondContact O-N 3.16Å; T904-K921 HydrophobicContact CG2-CD 4.31Å
905	H	82.9	Confident	84.7	Confident	78 Å²	78	74.6 Å²	74.6	36%	0.361	39%	0.391	S	S	.	.	H	α-helix	trans	-87	-43.7	176.9	-54.9	-48.9	0	0	0	112	C885 T887 C888 H901 R902 G907	C885-H905 PolarHBondContact SG-NE2 3.47Å; C885-H905 VanDerWaalsContact SG-NE2 3.45Å; T887-H905 HydrophobicContact CG2-CB 4.34Å; C888-H905 PolarHBondContact SG-NE2 3.06Å; H901-H905 AromaticContact CD2-NE2 3.87Å; H901-H905 AromaticContact CE1-CE1 3.77Å; H901-H905 AromaticContact CE1-NE2 3.59Å; H901-H905 AromaticContact NE2-CE1 3.69Å; H901-H905 AromaticContact NE2-NE2 3.16Å; H901-H905 PolarHBondContact NE2-NE2 3.29Å; H901-H905 VanDerWaalsContact NE2-NE2 3.16Å; R902-H905 PolarHBondContact O-N 3.08Å; H905-G907 VanDerWaalsContact C-N 3.28Å; H905-G907 PolarHBondContact O-N 3.44Å
906	T	79.3	Confident	84.7	Confident	83 Å²	83	74.4 Å²	74.4	51%	0.509	39%	0.389	S	S	.	.	S	Bend	trans	-79.5	-6.6	178	63	0	0	0	0	114.1	R902 E908	R902-T906 PolarHBondContact O-N 3.34Å; R902-T906 VanDerWaalsContact O-N 3.13Å; T906-E908 VanDerWaalsContact CB-OE1 3.26Å; T906-E908 WeakPolarHBondContact CB-OE1 3.38Å; T906-E908 PolarHBondContact O-N 3.41Å; T906-E908 VanDerWaalsContact OG1-CD 3.25Å; T906-E908 WeakPolarHBondContact OG1-CG 3.18Å; T906-E908 PolarHBondContact OG1-OE1 3.34Å
907	G	80.1	Confident	84.7	Confident	44 Å²	44	71 Å²	71	45%	0.454	39%	0.386	S	S	.	.			trans	70.6	-7.2	-177.7	0	0	0	0	0	115.6	R903 H905 R909	R903-G907 PolarHBondContact O-N 3.41Å; H905-G907 VanDerWaalsContact C-N 3.28Å; H905-G907 PolarHBondContact O-N 3.44Å; G907-R909 PolarHBondContact O-N 2.94Å
908	E	80.9	Confident	84.7	Confident	97 Å²	97	73.7 Å²	73.7	45%	0.453	40%	0.397	S	S	.	.			trans	-50.5	128.2	-173.8	-77.4	166.8	-120.8	0	0	114	R903 T906	R903-E908 HydrophobicContact CB-CB 4.25Å; R903-E908 HydrophobicContact CG-CB 4.16Å; T906-E908 VanDerWaalsContact CB-OE1 3.26Å; T906-E908 WeakPolarHBondContact CB-OE1 3.38Å; T906-E908 PolarHBondContact O-N 3.41Å; T906-E908 VanDerWaalsContact OG1-CD 3.25Å; T906-E908 WeakPolarHBondContact OG1-CG 3.18Å; T906-E908 PolarHBondContact OG1-OE1 3.34Å
909	R	81.7	Confident	84.6	Confident	151 Å²	151	74 Å²	74	57%	0.57	40%	0.403	S	S	*	.			trans	-126.9	73.6	176.1	-74.5	167.9	164.9	-164.8	-0.9	110.9	G907 H911 A919 F920 K921	G907-R909 PolarHBondContact O-N 2.94Å; R909-H911 PolarHBondContact O-N 2.81Å; R909-H911 VanDerWaalsContact O-N 3.08Å; R909-A919 HydrophobicContact CB-CB 3.74Å; R909-A919 VanDerWaalsContact CD-O 3.32Å; R909-A919 WeakPolarHBondContact CD-O 3.38Å; R909-F920 CarbonylContact C-O 3.08Å; R909-F920 VanDerWaalsContact C-O 3.28Å; R909-F920 WeakPolarHBondContact CA-O 3.46Å; R909-K921 HydrophobicContact CG-CG 3.93Å
910	P	82.2	Confident	84.6	Confident	73 Å²	73	73 Å²	73	47%	0.474	39%	0.393	S	S	.	.			trans	-66.8	-12.8	-171.3	-21	34.3	0	0	0	115
911	H	84	Confident	84.4	Confident	51 Å²	51	72.6 Å²	72.6	24%	0.236	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	87	-169.5	-58.8	-62.4	0	0	0	111.2	R909 F920 F923 L926	R909-H911 PolarHBondContact O-N 2.81Å; R909-H911 VanDerWaalsContact O-N 3.08Å; H911-F920 HydrophobicContact CB-CB 4.38Å; H911-F920 PolarHBondContact N-O 3.2Å; H911-F920 PolarHBondContact O-N 3.09Å; H911-F923 PolarHBondContact CD2-N 2.77Å; H911-F923 VanDerWaalsContact CD2-N 3.27Å; H911-L926 HydrophobicContact CB-CB 4.1Å; H911-L926 HydrophobicContact CB-CD2 3.82Å
912	V	87.9	Confident	84.2	Confident	84 Å²	84	72 Å²	72	51%	0.509	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	139	179.2	-174.8	0	0	0	0	111.6	G917 A919	V912-G917 WeakPolarHBondContact CG1-O 3.18Å; V912-A919 HydrophobicContact CG2-CB 4.08Å
913	C	90.4	Very high	84.1	Confident	1 Å²	1	70.5 Å²	70.5	1%	0.007	39%	0.386	C	S	.	.			trans	-81.7	120.8	172.4	-168.4	0	0	0	0	111.2	L915 G917 K918 F920 L926 H929	C913-L915 PolarHBondContact O-N 3.12Å; C913-G917 WeakPolarHBondContact O-CA 3.43Å; C913-G917 PolarHBondContact O-N 3.16Å; C913-K918 VanDerWaalsContact CB-O 3.31Å; C913-K918 WeakPolarHBondContact CB-O 3.36Å; C913-K918 PolarHBondContact N-O 3.22Å; C913-F920 HydrophobicContact CB-CE2 4.29Å; C913-L926 HydrophobicContact CB-CD1 3.66Å; C913-H929 VanDerWaalsContact SG-CD2 3.55Å
914	P	85.3	Confident	84.1	Confident	97 Å²	97	71.1 Å²	71.1	63%	0.63	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-13.7	-178.9	31	-36.2	0	0	0	113.6	K930	P914-K930 VanDerWaalsContact CD-CE 3.49Å
915	L	85.3	Confident	84.2	Confident	99 Å²	99	72 Å²	72	52%	0.518	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-22.1	-177.7	-60.2	177	0	0	0	113.3	C913 H933	C913-L915 PolarHBondContact O-N 3.12Å; L915-H933 HydrophobicContact CD1-CB 3.56Å
916	C	88.6	Confident	84.5	Confident	54 Å²	54	68.7 Å²	68.7	37%	0.365	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-154.6	19	-176.5	75.5	0	0	0	0	115	K918 H929 H933	C916-K918 PolarHBondContact O-N 3.12Å; C916-H929 PolarHBondContact SG-NE2 3Å; C916-H933 VanDerWaalsContact SG-CE1 3.56Å; C916-H933 PolarHBondContact SG-NE2 2.84Å
917	G	84.5	Confident	84.9	Confident	53 Å²	53	72.7 Å²	72.7	55%	0.546	39%	0.393	S	S	.	.			trans	67.5	-13.3	176.2	0	0	0	0	0	117.3	V912 C913 A919	V912-G917 WeakPolarHBondContact CG1-O 3.18Å; C913-G917 WeakPolarHBondContact O-CA 3.43Å; C913-G917 PolarHBondContact O-N 3.16Å; G917-A919 PolarHBondContact O-N 3.47Å
918	K	86	Confident	85.3	Confident	130 Å²	130	74.9 Å²	74.9	57%	0.565	39%	0.394	S	S	*	.			trans	-59.4	128.5	-177.1	-69.5	179.6	-178.4	178.4	0	111.1	C913 C916 F920	C913-K918 VanDerWaalsContact CB-O 3.31Å; C913-K918 WeakPolarHBondContact CB-O 3.36Å; C913-K918 PolarHBondContact N-O 3.22Å; C916-K918 PolarHBondContact O-N 3.12Å; K918-F920 HydrophobicContact CB-CE2 3.82Å; K918-F920 HydrophobicContact CB-CZ 4.01Å; K918-F920 WeakPolarHBondContact O-CD2 3.26Å; K918-F920 WeakPolarHBondContact O-CE2 3.09Å
919	A	87.3	Confident	85.7	Confident	31 Å²	31	71.5 Å²	71.5	26%	0.256	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	137.1	-173.6	0	0	0	0	0	112.6	R909 V912 G917	R909-A919 HydrophobicContact CB-CB 3.74Å; R909-A919 VanDerWaalsContact CD-O 3.32Å; R909-A919 WeakPolarHBondContact CD-O 3.38Å; V912-A919 HydrophobicContact CG2-CB 4.08Å; G917-A919 PolarHBondContact O-N 3.47Å
920	F	84.8	Confident	86	Confident	44 Å²	44	68.6 Å²	68.6	19%	0.193	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	148.8	-170.6	-61.7	-90.3	0	0	0	112.9	R909 H911 C913 K918 T922 N925 L926 H929	R909-F920 CarbonylContact C-O 3.08Å; R909-F920 VanDerWaalsContact C-O 3.28Å; R909-F920 WeakPolarHBondContact CA-O 3.46Å; H911-F920 HydrophobicContact CB-CB 4.38Å; H911-F920 PolarHBondContact N-O 3.2Å; H911-F920 PolarHBondContact O-N 3.09Å; C913-F920 HydrophobicContact CB-CE2 4.29Å; K918-F920 HydrophobicContact CB-CE2 3.82Å; K918-F920 HydrophobicContact CB-CZ 4.01Å; K918-F920 WeakPolarHBondContact O-CD2 3.26Å; K918-F920 WeakPolarHBondContact O-CE2 3.09Å; F920-T922 VanDerWaalsContact C-N 3.33Å; F920-N925 HydrophobicContact CB-CB 4.34Å; F920-N925 HydrophobicContact CD1-CB 3.89Å; F920-N925 HydrophobicContact CG-CB 4.41Å; F920-L926 HydrophobicContact CB-CB 4.28Å; F920-L926 HydrophobicContact CD2-CB 4.08Å; F920-L926 HydrophobicContact CD2-CD1 4.01Å; F920-L926 HydrophobicContact CE2-CD1 4.28Å; F920-L926 HydrophobicContact CG-CB 4.32Å; F920-H929 HydrophobicContact CE1-CB 4.1Å; F920-H929 HydrophobicContact CE2-CB 4.09Å; F920-H929 AromaticContact CE2-CD2 3.26Å; F920-H929 WeakPolarHBondContact CE2-CD2 2.96Å; F920-H929 AromaticContact CE2-CG 3.81Å; F920-H929 HydrophobicContact CZ-CB 3.62Å; F920-H929 AromaticContact CZ-CD2 3.3Å; F920-H929 WeakPolarHBondContact CZ-CD2 3.32Å; F920-H929 AromaticContact CZ-CG 3.39Å; F920-H929 AromaticContact CZ-NE2 3.99Å
921	K	81.2	Confident	86.2	Confident	64 Å²	64	71.4 Å²	71.4	28%	0.278	37%	0.374	S	S	.	.	S	Bend	trans	-72.4	-23.4	178.2	-67	-178.5	171.3	170.2	0	113.2	R903 T904 R909	R903-K921 PolarHBondContact NH1-O 3.14Å; R903-K921 VanDerWaalsContact O-CE 3.31Å; R903-K921 WeakPolarHBondContact O-CE 3.42Å; T904-K921 HydrophobicContact CG2-CD 4.31Å; R909-K921 HydrophobicContact CG-CG 3.93Å
922	T	82.4	Confident	86.4	Confident	13 Å²	13	72.9 Å²	72.9	8%	0.08	39%	0.387	C	S	.	.	S	Bend	trans	-134.3	155.1	178.6	61.7	0	0	0	0	113.2	E900 F920 S924 N925 L926	E900-T922 HydrophobicContact CG-CG2 3.71Å; E900-T922 WeakPolarHBondContact OE1-CG2 3.33Å; E900-T922 WeakPolarHBondContact OE2-CG2 3.16Å; F920-T922 VanDerWaalsContact C-N 3.33Å; T922-S924 VanDerWaalsContact C-N 3.31Å; T922-N925 WeakPolarHBondContact OG1-CB 3.36Å; T922-N925 PolarHBondContact OG1-N 2.81Å; T922-N925 PolarHBondContact OG1-OD1 3.21Å; T922-L926 PolarHBondContact O-N 3Å
923	F	84.3	Confident	86.4	Confident	108 Å²	108	70.6 Å²	70.6	47%	0.474	37%	0.371	S	S	.	.	H	α-helix	trans	-66.4	-32.3	172.7	-175.2	-96.1	0	0	0	112.5	H911 L926 R927	H911-F923 PolarHBondContact CD2-N 2.77Å; H911-F923 VanDerWaalsContact CD2-N 3.27Å; F923-L926 PolarHBondContact O-N 3.12Å; F923-R927 WeakPolarHBondContact O-CB 3.19Å; F923-R927 PolarHBondContact O-N 2.84Å
924	S	83.6	Confident	86.1	Confident	74 Å²	74	72.9 Å²	72.9	52%	0.517	39%	0.389	S	S	.	.	H	α-helix	trans	-61.8	-45.9	176.7	-55.7	0	0	0	0	111.7	T922 R927 N928	T922-S924 VanDerWaalsContact C-N 3.31Å; S924-R927 WeakPolarHBondContact O-CB 3.49Å; S924-R927 PolarHBondContact O-N 3.18Å; S924-R927 VanDerWaalsContact O-N 3.12Å; S924-N928 PolarHBondContact O-N 3.29Å
925	N	86.1	Confident	86	Confident	82 Å²	82	77 Å²	77	44%	0.439	39%	0.392	S	S	.	.	H	α-helix	trans	-68.5	-38.9	-179.8	-62.5	17.3	0	0	0	110.6	F920 T922 R927 N928 H929	F920-N925 HydrophobicContact CB-CB 4.34Å; F920-N925 HydrophobicContact CD1-CB 3.89Å; F920-N925 HydrophobicContact CG-CB 4.41Å; T922-N925 WeakPolarHBondContact OG1-CB 3.36Å; T922-N925 PolarHBondContact OG1-N 2.81Å; T922-N925 PolarHBondContact OG1-OD1 3.21Å; N925-R927 VanDerWaalsContact C-N 3.34Å; N925-R927 PolarHBondContact O-N 3.21Å; N925-N928 PolarHBondContact O-N 2.81Å; N925-H929 VanDerWaalsContact O-CB 3.29Å; N925-H929 WeakPolarHBondContact O-CB 3.39Å; N925-H929 PolarHBondContact O-N 2.89Å
926	L	89.6	Confident	86	Confident	10 Å²	10	77 Å²	77	5%	0.052	39%	0.39	C	S	.	.	H	α-helix	trans	-60.5	-41	169.6	173.7	61	0	0	0	112.1	H911 C913 F920 T922 F923 H929 K930	H911-L926 HydrophobicContact CB-CB 4.1Å; H911-L926 HydrophobicContact CB-CD2 3.82Å; C913-L926 HydrophobicContact CB-CD1 3.66Å; F920-L926 HydrophobicContact CB-CB 4.28Å; F920-L926 HydrophobicContact CD2-CB 4.08Å; F920-L926 HydrophobicContact CD2-CD1 4.01Å; F920-L926 HydrophobicContact CE2-CD1 4.28Å; F920-L926 HydrophobicContact CG-CB 4.32Å; T922-L926 PolarHBondContact O-N 3Å; F923-L926 PolarHBondContact O-N 3.12Å; L926-H929 PolarHBondContact O-N 2.74Å; L926-K930 HydrophobicContact CD1-CG 4.27Å; L926-K930 WeakPolarHBondContact O-CG 3.44Å; L926-K930 PolarHBondContact O-N 3.4Å
927	R	87.7	Confident	85.7	Confident	166 Å²	166	79 Å²	79	63%	0.626	39%	0.394	S	S	*	.	H	α-helix	trans	-65.9	-42.4	179.2	-174.9	-177.8	-179.7	-160.2	-1.3	111.7	F923 S924 N925 K930 K931	F923-R927 WeakPolarHBondContact O-CB 3.19Å; F923-R927 PolarHBondContact O-N 2.84Å; S924-R927 WeakPolarHBondContact O-CB 3.49Å; S924-R927 PolarHBondContact O-N 3.18Å; S924-R927 VanDerWaalsContact O-N 3.12Å; N925-R927 VanDerWaalsContact C-N 3.34Å; N925-R927 PolarHBondContact O-N 3.21Å; R927-K930 PolarHBondContact O-N 2.77Å; R927-K931 PolarHBondContact O-N 2.96Å
928	N	87.3	Confident	85.6	Confident	90 Å²	90	84.2 Å²	84.2	48%	0.481	40%	0.397	S	S	.	.	H	α-helix	trans	-67.9	-42.1	176.7	-72.9	-5.7	0	0	0	111	S924 N925 K930 K931 T932	S924-N928 PolarHBondContact O-N 3.29Å; N925-N928 PolarHBondContact O-N 2.81Å; N928-K930 VanDerWaalsContact C-N 3.31Å; N928-K930 PolarHBondContact O-N 3.38Å; N928-K931 WeakPolarHBondContact O-CA 3.48Å; N928-K931 VanDerWaalsContact O-CB 3.25Å; N928-K931 WeakPolarHBondContact O-CB 3.28Å; N928-K931 PolarHBondContact O-N 2.82Å; N928-T932 PolarHBondContact O-N 3.33Å
929	H	89.4	Confident	85.5	Confident	26 Å²	26	81.9 Å²	81.9	12%	0.12	39%	0.39	C	S	.	.	H	α-helix	trans	-62.2	-33.8	172.1	175.5	53.1	0	0	0	113.3	C913 C916 F920 N925 L926 K931 T932 H933	C913-H929 VanDerWaalsContact SG-CD2 3.55Å; C916-H929 PolarHBondContact SG-NE2 3Å; F920-H929 HydrophobicContact CE1-CB 4.1Å; F920-H929 HydrophobicContact CE2-CB 4.09Å; F920-H929 AromaticContact CE2-CD2 3.26Å; F920-H929 WeakPolarHBondContact CE2-CD2 2.96Å; F920-H929 AromaticContact CE2-CG 3.81Å; F920-H929 HydrophobicContact CZ-CB 3.62Å; F920-H929 AromaticContact CZ-CD2 3.3Å; F920-H929 WeakPolarHBondContact CZ-CD2 3.32Å; F920-H929 AromaticContact CZ-CG 3.39Å; F920-H929 AromaticContact CZ-NE2 3.99Å; N925-H929 VanDerWaalsContact O-CB 3.29Å; N925-H929 WeakPolarHBondContact O-CB 3.39Å; N925-H929 PolarHBondContact O-N 2.89Å; L926-H929 PolarHBondContact O-N 2.74Å; H929-K931 PolarHBondContact O-N 3.37Å; H929-T932 PolarHBondContact ND1-OG1 3.31Å; H929-T932 PolarHBondContact O-N 3.34Å; H929-T932 VanDerWaalsContact O-N 3.08Å; H929-T932 PolarHBondContact O-OG1 3.5Å; H929-H933 AromaticContact CD2-NE2 3.93Å; H929-H933 AromaticContact CE1-CD2 3.67Å; H929-H933 AromaticContact CE1-NE2 3.08Å; H929-H933 PolarHBondContact CE1-NE2 3.45Å; H929-H933 AromaticContact ND1-NE2 3.99Å; H929-H933 AromaticContact NE2-CD2 3.64Å; H929-H933 AromaticContact NE2-NE2 3.01Å; H929-H933 PolarHBondContact NE2-NE2 3.05Å; H929-H933 PolarHBondContact O-CD2 2.95Å; H929-H933 PolarHBondContact O-N 3.28Å
930	K	87.4	Confident	85.2	Confident	91 Å²	91	84.4 Å²	84.4	40%	0.396	40%	0.4	S	S	.	.	H	α-helix	trans	-64.4	-25	170.4	-78.8	-176.5	174.7	-168.3	0	113.5	P914 L926 R927 N928 A934	P914-K930 VanDerWaalsContact CD-CE 3.49Å; L926-K930 HydrophobicContact CD1-CG 4.27Å; L926-K930 WeakPolarHBondContact O-CG 3.44Å; L926-K930 PolarHBondContact O-N 3.4Å; R927-K930 PolarHBondContact O-N 2.77Å; N928-K930 VanDerWaalsContact C-N 3.31Å; N928-K930 PolarHBondContact O-N 3.38Å; K930-A934 PolarHBondContact O-N 3.42Å
931	K	87.9	Confident	85.1	Confident	132 Å²	132	88.4 Å²	88.4	57%	0.574	42%	0.419	S	S	*	.	H	α-helix	trans	-70.5	-33	169.8	-59.8	180	176.8	-179.1	0	112.2	R927 N928 H929 H933 A934 R935	R927-K931 PolarHBondContact O-N 2.96Å; N928-K931 WeakPolarHBondContact O-CA 3.48Å; N928-K931 VanDerWaalsContact O-CB 3.25Å; N928-K931 WeakPolarHBondContact O-CB 3.28Å; N928-K931 PolarHBondContact O-N 2.82Å; H929-K931 PolarHBondContact O-N 3.37Å; K931-H933 VanDerWaalsContact C-N 3.33Å; K931-A934 CarbonylContact O-C 3.49Å; K931-A934 PolarHBondContact O-N 3.47Å; K931-R935 PolarHBondContact O-N 3.28Å
932	T	88.1	Confident	85.1	Confident	81 Å²	81	91 Å²	91	50%	0.497	43%	0.432	S	S	.	.	H	α-helix	trans	-67	-38.3	179.3	70.3	0	0	0	0	110.9	N928 H929 R935 Q936	N928-T932 PolarHBondContact O-N 3.33Å; H929-T932 PolarHBondContact ND1-OG1 3.31Å; H929-T932 PolarHBondContact O-N 3.34Å; H929-T932 VanDerWaalsContact O-N 3.08Å; H929-T932 PolarHBondContact O-OG1 3.5Å; T932-R935 PolarHBondContact O-N 3.13Å; T932-Q936 PolarHBondContact O-N 2.97Å
933	H	87.8	Confident	84.6	Confident	37 Å²	37	93.3 Å²	93.3	17%	0.171	45%	0.452	C	S	.	.	H	α-helix	trans	-60.1	-46.5	168.9	-70.8	-69.8	0	0	0	112.3	L915 C916 H929 K931 R935 Q936 Q937	L915-H933 HydrophobicContact CD1-CB 3.56Å; C916-H933 VanDerWaalsContact SG-CE1 3.56Å; C916-H933 PolarHBondContact SG-NE2 2.84Å; H929-H933 AromaticContact CD2-NE2 3.93Å; H929-H933 AromaticContact CE1-CD2 3.67Å; H929-H933 AromaticContact CE1-NE2 3.08Å; H929-H933 PolarHBondContact CE1-NE2 3.45Å; H929-H933 AromaticContact ND1-NE2 3.99Å; H929-H933 AromaticContact NE2-CD2 3.64Å; H929-H933 AromaticContact NE2-NE2 3.01Å; H929-H933 PolarHBondContact NE2-NE2 3.05Å; H929-H933 PolarHBondContact O-CD2 2.95Å; H929-H933 PolarHBondContact O-N 3.28Å; K931-H933 VanDerWaalsContact C-N 3.33Å; H933-R935 PolarHBondContact O-N 3.04Å; H933-Q936 PolarHBondContact O-N 3.41Å; H933-Q936 VanDerWaalsContact O-N 3.16Å; H933-Q937 WeakPolarHBondContact O-CG 3.32Å; H933-Q937 PolarHBondContact O-N 3.45Å
934	A	82.8	Confident	84	Confident	48 Å²	48	90.8 Å²	90.8	40%	0.397	45%	0.451	S	S	.	.	H	α-helix	trans	-68.5	-16.5	177.6	0	0	0	0	0	114.4	K930 K931 R938	K930-A934 PolarHBondContact O-N 3.42Å; K931-A934 CarbonylContact O-C 3.49Å; K931-A934 PolarHBondContact O-N 3.47Å; A934-R938 WeakPolarHBondContact O-CG 3.49Å
935	R	84.8	Confident	83.2	Confident	184 Å²	184	90.2 Å²	90.2	69%	0.694	45%	0.451	S	S	*	.	H	α-helix	trans	-81.6	-45.8	167.3	-173	179.1	-177.2	-179.1	1.1	110.4	K931 T932 H933 R938 L939	K931-R935 PolarHBondContact O-N 3.28Å; T932-R935 PolarHBondContact O-N 3.13Å; H933-R935 PolarHBondContact O-N 3.04Å; R935-R938 PolarHBondContact O-N 3.29Å; R935-L939 HydrophobicContact CG-CD1 4.43Å; R935-L939 WeakPolarHBondContact O-CG 3.32Å; R935-L939 PolarHBondContact O-N 3.44Å
936	Q	84.6	Confident	82.1	Confident	98 Å²	98	89.5 Å²	89.5	46%	0.458	46%	0.456	S	S	.	.	H	α-helix	trans	-60	-49.6	179	-169	60.8	52.9	0	0	111.5	T932 H933 R938 L939 D940	T932-Q936 PolarHBondContact O-N 2.97Å; H933-Q936 PolarHBondContact O-N 3.41Å; H933-Q936 VanDerWaalsContact O-N 3.16Å; Q936-R938 PolarHBondContact O-N 2.85Å; Q936-R938 VanDerWaalsContact O-N 3.13Å; Q936-L939 CarbonylContact O-C 3.57Å; Q936-L939 WeakPolarHBondContact O-CA 3.44Å; Q936-L939 WeakPolarHBondContact O-CB 3.48Å; Q936-L939 PolarHBondContact O-N 3.37Å; Q936-D940 PolarHBondContact NE2-OD1 2.94Å; Q936-D940 PolarHBondContact O-N 3.16Å
937	Q	82.3	Confident	80.8	Confident	96 Å²	96	92.2 Å²	92.2	45%	0.449	48%	0.48	S	S	.	.	H	α-helix	trans	-56	-34.4	179.1	-70.2	180	-70.7	0	0	113	H933 D940 E941	H933-Q937 WeakPolarHBondContact O-CG 3.32Å; H933-Q937 PolarHBondContact O-N 3.45Å; Q937-D940 PolarHBondContact O-N 3.37Å; Q937-E941 VanDerWaalsContact O-CB 3.29Å; Q937-E941 WeakPolarHBondContact O-CB 3.33Å; Q937-E941 WeakPolarHBondContact O-CG 3.22Å; Q937-E941 PolarHBondContact O-N 2.94Å
938	R	83.4	Confident	79.4	Confident	163 Å²	163	92.2 Å²	92.2	62%	0.615	49%	0.487	S	S	*	.	H	α-helix	trans	-69.7	-42.6	174.2	-73.2	177.2	172.5	-155.9	-7.6	112.6	A934 R935 Q936 D940 E941 E942	A934-R938 WeakPolarHBondContact O-CG 3.49Å; R935-R938 PolarHBondContact O-N 3.29Å; Q936-R938 PolarHBondContact O-N 2.85Å; Q936-R938 VanDerWaalsContact O-N 3.13Å; R938-D940 VanDerWaalsContact C-N 3.28Å; R938-D940 PolarHBondContact O-N 2.87Å; R938-E941 PolarHBondContact O-N 2.82Å; R938-E942 WeakPolarHBondContact O-CB 3.5Å; R938-E942 VanDerWaalsContact O-CD 3.3Å; R938-E942 WeakPolarHBondContact O-CG 3.4Å; R938-E942 PolarHBondContact O-N 3.46Å
939	L	83.6	Confident	78	Confident	81 Å²	81	91.7 Å²	91.7	42%	0.424	50%	0.495	S	S	.	.	H	α-helix	trans	-64.4	-36.2	175.2	-62.8	170.7	0	0	0	111.1	R935 Q936 A943	R935-L939 HydrophobicContact CG-CD1 4.43Å; R935-L939 WeakPolarHBondContact O-CG 3.32Å; R935-L939 PolarHBondContact O-N 3.44Å; Q936-L939 CarbonylContact O-C 3.57Å; Q936-L939 WeakPolarHBondContact O-CA 3.44Å; Q936-L939 WeakPolarHBondContact O-CB 3.48Å; Q936-L939 PolarHBondContact O-N 3.37Å; L939-A943 WeakPolarHBondContact O-CB 3.44Å; L939-A943 PolarHBondContact O-N 2.9Å
940	D	81.3	Confident	76.3	Confident	85 Å²	85	93.3 Å²	93.3	46%	0.455	52%	0.519	S	S	.	.	H	α-helix	trans	-68.3	-41.5	175.2	-51.9	-27.9	0	0	0	111.1	Q936 Q937 R938 A944	Q936-D940 PolarHBondContact NE2-OD1 2.94Å; Q936-D940 PolarHBondContact O-N 3.16Å; Q937-D940 PolarHBondContact O-N 3.37Å; R938-D940 VanDerWaalsContact C-N 3.28Å; R938-D940 PolarHBondContact O-N 2.87Å; D940-A944 WeakPolarHBondContact O-CB 3.49Å; D940-A944 PolarHBondContact O-N 2.82Å
941	E	82.4	Confident	74.3	Confident	128 Å²	128	94 Å²	94	60%	0.598	54%	0.535	S	S	*	.	H	α-helix	trans	-66.7	-43	174.6	-76	162.9	-174.8	0	0	112.2	Q937 R938 A944 A945	Q937-E941 VanDerWaalsContact O-CB 3.29Å; Q937-E941 WeakPolarHBondContact O-CB 3.33Å; Q937-E941 WeakPolarHBondContact O-CG 3.22Å; Q937-E941 PolarHBondContact O-N 2.94Å; R938-E941 PolarHBondContact O-N 2.82Å; E941-A944 PolarHBondContact O-N 3.04Å; E941-A945 WeakPolarHBondContact O-CB 3.15Å; E941-A945 PolarHBondContact O-N 3.16Å
942	E	79.8	Confident	72.2	Confident	119 Å²	119	91.9 Å²	91.9	56%	0.556	54%	0.543	S	S	*	.	H	α-helix	trans	-66.9	-40.4	177.2	-73.4	158.8	-166.5	0	0	111.1	R938 A945 A946	R938-E942 WeakPolarHBondContact O-CB 3.5Å; R938-E942 VanDerWaalsContact O-CD 3.3Å; R938-E942 WeakPolarHBondContact O-CG 3.4Å; R938-E942 PolarHBondContact O-N 3.46Å; E942-A945 PolarHBondContact O-N 3.35Å; E942-A946 WeakPolarHBondContact O-CB 3.44Å; E942-A946 PolarHBondContact O-N 3.21Å
943	A	72.8	Confident	69.8	Low	61 Å²	61	95 Å²	95	50%	0.504	56%	0.561	S	S	.	*	H	α-helix	trans	-67.2	-38.3	173.8	0	0	0	0	0	112.6	L939 A946 A947	L939-A943 WeakPolarHBondContact O-CB 3.44Å; L939-A943 PolarHBondContact O-N 2.9Å; A943-A946 PolarHBondContact O-N 2.96Å; A943-A947 PolarHBondContact O-N 2.98Å
944	A	70.4	Confident	67.1	Low	55 Å²	55	98 Å²	98	46%	0.455	59%	0.592	S	S	.	*	H	α-helix	trans	-64.7	-42.4	174	0	0	0	0	0	111.9	D940 E941 A946 A947 E948	D940-A944 WeakPolarHBondContact O-CB 3.49Å; D940-A944 PolarHBondContact O-N 2.82Å; E941-A944 PolarHBondContact O-N 3.04Å; A944-A946 VanDerWaalsContact C-N 3.34Å; A944-A946 PolarHBondContact O-N 3.18Å; A944-A947 PolarHBondContact O-N 2.88Å; A944-E948 WeakPolarHBondContact O-CG 3.3Å; A944-E948 PolarHBondContact O-N 3.1Å
945	A	67.9	Low	65	Low	62 Å²	62	102 Å²	102	51%	0.512	61%	0.612	S	S	.	*	H	α-helix	trans	-63.1	-38.1	174.9	0	0	0	0	0	112.5	E941 E942 A949	E941-A945 WeakPolarHBondContact O-CB 3.15Å; E941-A945 PolarHBondContact O-N 3.16Å; E942-A945 PolarHBondContact O-N 3.35Å; A945-A949 WeakPolarHBondContact O-CB 3.36Å; A945-A949 PolarHBondContact O-N 3.24Å; A945-A949 VanDerWaalsContact O-N 3.09Å
946	A	61.9	Low	62.4	Low	66 Å²	66	100.3 Å²	100.3	55%	0.545	62%	0.622	S	S	.	*	H	α-helix	trans	-66.4	-37	173.8	0	0	0	0	0	112.6	E942 A943 A944 A949 G950	E942-A946 WeakPolarHBondContact O-CB 3.44Å; E942-A946 PolarHBondContact O-N 3.21Å; A943-A946 PolarHBondContact O-N 2.96Å; A944-A946 VanDerWaalsContact C-N 3.34Å; A944-A946 PolarHBondContact O-N 3.18Å; A946-A949 PolarHBondContact O-N 3.21Å; A946-G950 PolarHBondContact O-N 2.83Å
947	A	62.8	Low	59.8	Low	67 Å²	67	102.5 Å²	102.5	55%	0.554	64%	0.636	S	S	*	*	H	α-helix	trans	-66.9	-42.4	176.5	0	0	0	0	0	112.5	A943 A944 G950	A943-A947 PolarHBondContact O-N 2.98Å; A944-A947 PolarHBondContact O-N 2.88Å; A947-G950 PolarHBondContact O-N 2.85Å
948	E	58	Low	57.1	Low	166 Å²	166	102 Å²	102	78%	0.776	65%	0.648	S	S	*	*	H	α-helix	trans	-62.7	-43.3	174	-66.8	-109.4	129.7	0	0	111.2	A944 G950 S951	A944-E948 WeakPolarHBondContact O-CG 3.3Å; A944-E948 PolarHBondContact O-N 3.1Å; E948-G950 VanDerWaalsContact C-N 3.3Å; E948-G950 PolarHBondContact O-N 2.83Å; E948-S951 PolarHBondContact O-N 2.63Å
949	A	58.5	Low	54.6	Low	79 Å²	79	99.3 Å²	99.3	65%	0.653	66%	0.655	S	S	*	*	H	α-helix	trans	-65.3	-30.1	177.1	0	0	0	0	0	113.6	A945 A946 S951	A945-A949 WeakPolarHBondContact O-CB 3.36Å; A945-A949 PolarHBondContact O-N 3.24Å; A945-A949 VanDerWaalsContact O-N 3.09Å; A946-A949 PolarHBondContact O-N 3.21Å; A949-S951 VanDerWaalsContact C-N 3.31Å; A949-S951 PolarHBondContact O-N 2.85Å
950	G	53.4	Low	52.1	Low	60 Å²	60	101.4 Å²	101.4	62%	0.619	67%	0.671	S	S	*	*	H	α-helix	trans	-74.2	-14.3	177.9	0	0	0	0	0	114.9	A946 A947 E948 A952	A946-G950 PolarHBondContact O-N 2.83Å; A947-G950 PolarHBondContact O-N 2.85Å; E948-G950 VanDerWaalsContact C-N 3.3Å; E948-G950 PolarHBondContact O-N 2.83Å; G950-A952 VanDerWaalsContact C-N 3.27Å; G950-A952 PolarHBondContact O-N 3.43Å
951	S	46.7	Very low	49.6	Very low	105 Å²	105	103 Å²	103	73%	0.734	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.2	12.6	-170.9	-165.6	0	0	0	0	115	E948 A949	E948-S951 PolarHBondContact O-N 2.63Å; A949-S951 VanDerWaalsContact C-N 3.31Å; A949-S951 PolarHBondContact O-N 2.85Å
952	A	42.2	Very low	47.1	Very low	88 Å²	88	103.8 Å²	103.8	73%	0.727	69%	0.692	S	S	*	*			trans	-120.3	37.6	-167.4	0	0	0	0	0	115.1	G950	G950-A952 VanDerWaalsContact C-N 3.27Å; G950-A952 PolarHBondContact O-N 3.43Å
953	V	37.7	Very low	44.7	Very low	146 Å²	146	105.5 Å²	105.5	89%	0.885	70%	0.704	S	S	*	*	S	Bend	trans	-125.6	145.5	169.2	-175.5	0	0	0	0	109.8
954	A	31.5	Very low	42.7	Very low	100 Å²	100	106.4 Å²	106.4	83%	0.826	71%	0.712	S	S	*	*			trans	-88.9	162	-153	0	0	0	0	0	117.1
955	V	38	Very low	40.8	Very low	134 Å²	134	111.4 Å²	111.4	81%	0.812	73%	0.731	S	S	*	*			trans	-66.7	135.7	178.8	175.4	0	0	0	0	113.6
956	V	31.7	Very low	39.1	Very low	148 Å²	148	112 Å²	112	90%	0.897	74%	0.742	S	S	*	*			trans	-138.6	146.7	139.8	-174.2	0	0	0	0	107.9
957	D	29	Very low	37.5	Very low	143 Å²	143	117.6 Å²	117.6	77%	0.765	76%	0.757	S	S	*	*			trans	-110.6	149.8	-170.5	176	24.7	0	0	0	112.3
958	A	26.8	Very low	36.2	Very low	85 Å²	85	120.3 Å²	120.3	70%	0.702	77%	0.767	S	S	*	*			trans	175.2	89.6	146.9	0	0	0	0	0	114.9
959	S	29.6	Very low	34.6	Very low	108 Å²	108	121.8 Å²	121.8	76%	0.755	77%	0.774	S	S	*	*			trans	50.7	169.8	135.3	70.4	0	0	0	0	125
960	V	31	Very low	33.1	Very low	125 Å²	125	125.3 Å²	125.3	76%	0.758	78%	0.781	S	S	*	*			trans	106.5	94.2	160.8	-173.8	0	0	0	0	119.9
961	V	30.3	Very low	31.8	Very low	119 Å²	119	130.3 Å²	130.3	72%	0.721	79%	0.792	S	S	*	*			trans	69.8	94.4	131.8	-177.4	0	0	0	0	121.5
962	D	29.1	Very low	30.8	Very low	144 Å²	144	132 Å²	132	77%	0.77	79%	0.788	S	S	*	*				70.7	151.6	117	-76	-57.8	0	0	0	127.8
963	L	29.2	Very low	30	Very low	154 Å²	154	135.4 Å²	135.4	81%	0.806	79%	0.792	S	S	*	*			trans	77.8	96.1	149.2	-101	83.9	0	0	0	123.7
964	A	30.6	Very low	29.5	Very low	81 Å²	81	135.1 Å²	135.1	67%	0.669	78%	0.781	S	S	*	*				84.6	155.2	115.7	0	0	0	0	0	124.2
965	N	30.4	Very low	29.8	Very low	160 Å²	160	137.1 Å²	137.1	86%	0.856	78%	0.784	S	S	*	*			trans	72.9	99.9	161.3	-65.3	-10.5	0	0	0	121.7
966	G	31.8	Very low	29.5	Very low	73 Å²	73	134.7 Å²	134.7	75%	0.753	77%	0.773	S	S	*	*				78.4	105.7	93.7	0	0	0	0	0	121.1
967	Q	30	Very low	29.3	Very low	184 Å²	184	134.6 Å²	134.6	86%	0.86	77%	0.767	S	S	*	*			trans	56.1	107.7	147.6	-74.8	-174.9	-33.2	0	0	121.6
968	T	34.6	Very low	29.5	Very low	125 Å²	125	133.7 Å²	133.7	77%	0.767	76%	0.761	S	S	*	*			trans	37.4	121.9	133	56.7	0	0	0	0	121.2
969	Q	24.5	Very low	29.7	Very low	196 Å²	196	138.9 Å²	138.9	92%	0.916	77%	0.771	S	S	*	*			trans	-154.1	165.5	135.3	-121.2	157.4	104.9	0	0	112.9
970	L	28.1	Very low	30.5	Very low	153 Å²	153	140.6 Å²	140.6	80%	0.801	77%	0.767	S	S	*	*			trans	-70.1	150.2	177.7	-80.1	68.2	0	0	0	110.8
971	I	24.4	Very low	30.5	Very low	165 Å²	165	139.7 Å²	139.7	85%	0.846	76%	0.762	S	S	*	*			trans	-113.3	115.8	149.3	-64.1	-178.2	0	0	0	107.9
972	Q	26	Very low	31	Very low	142 Å²	142	141.3 Å²	141.3	66%	0.664	76%	0.762	S	S	*	*			trans	-98.5	117.7	177.6	172.8	-177	-5.9	0	0	107.9	Q974	Q972-Q974 HydrophobicContact CG-CG 4.29Å
973	I	26	Very low	31.7	Very low	158 Å²	158	136 Å²	136	81%	0.81	74%	0.741	S	S	*	*			trans	-89.5	115.2	170.9	-58.4	179.6	0	0	0	107.8
974	Q	26.6	Very low	32.5	Very low	140 Å²	140	132.3 Å²	132.3	65%	0.654	73%	0.725	S	S	*	*			trans	-87.3	147.1	173.5	-67.8	-175.2	-12.2	0	0	110.5	Q972	Q972-Q974 HydrophobicContact CG-CG 4.29Å
975	T	38.8	Very low	33.5	Very low	143 Å²	143	131.4 Å²	131.4	88%	0.877	71%	0.712	S	S	*	*			trans	-99.2	84.9	-178.8	52	0	0	0	0	111.5
976	S	31.1	Very low	34.7	Very low	83 Å²	83	125.1 Å²	125.1	58%	0.58	68%	0.68	S	S	*	*			trans	-168.3	129.9	169.3	47.1	0	0	0	0	107.2
977	D	28.1	Very low	35.9	Very low	145 Å²	145	126 Å²	126	78%	0.775	67%	0.666	S	S	*	*			cis	-134.9	163.7	16.5	-82.7	-53.1	0	0	0	115.3
978	L	33.7	Very low	37	Very low	124 Å²	124	118.1 Å²	118.1	65%	0.649	63%	0.63	S	S	*	*			trans	-11.1	140.5	160.4	-69.6	86.7	0	0	0	116.6	Q980	L978-Q980 HydrophobicContact CD2-CG 4.48Å
979	Q	30.1	Very low	37.9	Very low	195 Å²	195	115.3 Å²	115.3	91%	0.911	61%	0.614	S	S	*	*				-118.8	155.3	61	-67.9	-175	-12.7	0	0	116.5
980	Q	45.8	Very low	39.5	Very low	143 Å²	143	108.2 Å²	108.2	67%	0.668	58%	0.583	S	S	*	*			trans	-83.3	125.3	176.1	-62.8	173.1	-7.3	0	0	110.5	L978	L978-Q980 HydrophobicContact CD2-CG 4.48Å
981	T	32.8	Very low	40.4	Very low	107 Å²	107	107.8 Å²	107.8	66%	0.656	58%	0.577	S	S	*	*			trans	-111.4	105.8	152.8	46.7	0	0	0	0	108	G983 S1002	T981-G983 PolarHBondContact O-N 3.15Å; T981-S1002 WeakPolarHBondContact CB-O 3.33Å; T981-S1002 WeakPolarHBondContact CG2-O 3.44Å
982	Q	40.6	Very low	41.6	Very low	153 Å²	153	106.4 Å²	106.4	72%	0.715	57%	0.565	S	S	*	*			trans	-80.5	73.5	175.9	-66.9	-167.8	20.3	0	0	110.1	G1004	Q982-G1004 WeakPolarHBondContact O-CA 3.35Å
983	G	43.4	Very low	42.5	Very low	32 Å²	32	102.5 Å²	102.5	33%	0.33	56%	0.562	S	S	.	*			trans	-83.6	125.6	167.1	0	0	0	0	0	111	T981 P985	T981-G983 PolarHBondContact O-N 3.15Å; G983-P985 WeakPolarHBondContact O-CD 3.43Å
984	T	44.8	Very low	44	Very low	77 Å²	77	101 Å²	101	47%	0.472	55%	0.552	S	S	.	*			trans	-80.1	115	166.9	48.9	0	0	0	0	109.2	T986	T984-T986 PolarHBondContact O-N 3.13Å
985	P	51.4	Low	45.4	Very low	61 Å²	61	98.1 Å²	98.1	40%	0.396	54%	0.544	S	S	.	.			trans	-61.3	126	-179.4	23.6	-33.6	0	0	0	110.6	G983 I987 I998 E1000	G983-P985 WeakPolarHBondContact O-CD 3.43Å; P985-I987 PolarHBondContact O-N 3.42Å; P985-I998 HydrophobicContact CB-CG2 3.87Å; P985-E1000 HydrophobicContact CB-CG 3.89Å
986	T	56.1	Low	46.5	Very low	28 Å²	28	95.5 Å²	95.5	17%	0.172	52%	0.524	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	97.1	179.7	-60.3	0	0	0	0	108.9	T984 M988 I999	T984-T986 PolarHBondContact O-N 3.13Å; T986-M988 PolarHBondContact O-N 3.23Å; T986-I999 PolarHBondContact N-O 3.41Å; T986-I999 PolarHBondContact O-N 3.17Å
987	I	58.3	Low	47.7	Very low	92 Å²	92	91.9 Å²	91.9	47%	0.472	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	105.4	-176.7	-57.2	174.7	0	0	0	109.4	P985 T995 I998	P985-I987 PolarHBondContact O-N 3.42Å; I987-T995 HydrophobicContact CG2-CG2 3.66Å; I987-I998 HydrophobicContact CG1-CG1 4.33Å; I987-I998 HydrophobicContact CG1-CG2 4.28Å; I987-I998 HydrophobicContact CG2-CG1 4.5Å
988	M	53.2	Low	49.2	Very low	18 Å²	18	88.7 Å²	88.7	9%	0.089	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	124.9	173	-67	-148.5	-70	0	0	110.8	T986 T995 I996 A997 I999 L1009 A1012 L1013 Y1016	T986-M988 PolarHBondContact O-N 3.23Å; M988-T995 CarbonylContact O-C 3.56Å; M988-T995 WeakPolarHBondContact O-CA 3.27Å; M988-I996 PolarHBondContact O-N 2.94Å; M988-A997 HydrophobicContact CE-CB 4.38Å; M988-A997 PolarHBondContact N-O 3.29Å; M988-A997 PolarHBondContact O-N 3.39Å; M988-I999 HydrophobicContact CE-CD1 4.37Å; M988-L1009 HydrophobicContact SD-CD1 4.21Å; M988-A1012 HydrophobicContact SD-CB 4.08Å; M988-L1013 HydrophobicContact CE-CD2 4.43Å; M988-L1013 HydrophobicContact SD-CD2 4.04Å; M988-L1013 HydrophobicContact SD-CG 4.4Å; M988-Y1016 HydrophobicContact CE-CD1 4.47Å; M988-Y1016 HydrophobicContact CE-CD2 4.25Å; M988-Y1016 HydrophobicContact CE-CG 3.9Å
989	C	53.4	Low	50.3	Low	66 Å²	66	83.6 Å²	83.6	45%	0.446	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	148.3	179.4	-70.6	0	0	0	0	112.1	E994	C989-E994 CarbonylContact C-O 3.16Å; C989-E994 VanDerWaalsContact CA-O 3.31Å; C989-E994 WeakPolarHBondContact CA-O 3.35Å
990	N	58.3	Low	51.3	Low	48 Å²	48	80.8 Å²	80.8	26%	0.257	44%	0.441	S	S	.	.			trans	-75.7	174.5	175	72.3	13.1	0	0	0	112.7	F992 G993 E994 I996	N990-F992 PolarHBondContact O-N 3.29Å; N990-F992 WeakPolarHBondContact OD1-CA 3.48Å; N990-F992 WeakPolarHBondContact OD1-CB 3.37Å; N990-F992 PolarHBondContact OD1-N 3.44Å; N990-G993 PolarHBondContact O-N 2.81Å; N990-G993 PolarHBondContact OD1-N 3.24Å; N990-G993 VanDerWaalsContact OD1-N 3.08Å; N990-E994 PolarHBondContact N-O 3.48Å; N990-E994 PolarHBondContact ND2-OE2 2.99Å; N990-E994 PolarHBondContact OD1-N 3Å; N990-I996 HydrophobicContact CB-CD1 3.78Å; N990-I996 HydrophobicContact CB-CG1 3.95Å
991	E	45.4	Very low	51.7	Low	143 Å²	143	76 Å²	76	67%	0.668	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-8.3	178.2	61.5	159.7	169.4	0	0	115.3
992	F	50	Low	52.5	Low	137 Å²	137	75.5 Å²	75.5	60%	0.601	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.1	-4.6	175.9	-52.4	-68.2	0	0	0	113.5	N990	N990-F992 PolarHBondContact O-N 3.29Å; N990-F992 WeakPolarHBondContact OD1-CA 3.48Å; N990-F992 WeakPolarHBondContact OD1-CB 3.37Å; N990-F992 PolarHBondContact OD1-N 3.44Å
993	G	45.3	Very low	53	Low	59 Å²	59	75.8 Å²	75.8	61%	0.608	42%	0.424	S	S	*	.	S	Bend	trans	83.9	16.7	-178.8	0	0	0	0	0	114.7	N990	N990-G993 PolarHBondContact O-N 2.81Å; N990-G993 PolarHBondContact OD1-N 3.24Å; N990-G993 VanDerWaalsContact OD1-N 3.08Å
994	E	56.8	Low	53.3	Low	126 Å²	126	76.8 Å²	76.8	59%	0.589	43%	0.434	S	S	*	.			trans	-90.9	129.4	173.2	-52.7	171.4	127.7	0	0	109.4	C989 N990 I996	C989-E994 CarbonylContact C-O 3.16Å; C989-E994 VanDerWaalsContact CA-O 3.31Å; C989-E994 WeakPolarHBondContact CA-O 3.35Å; N990-E994 PolarHBondContact N-O 3.48Å; N990-E994 PolarHBondContact ND2-OE2 2.99Å; N990-E994 PolarHBondContact OD1-N 3Å; E994-I996 PolarHBondContact O-N 2.88Å
995	T	56.6	Low	53.5	Low	80 Å²	80	75 Å²	75	49%	0.491	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	127.8	176.3	-53.2	0	0	0	0	110.9	I987 M988 I998	I987-T995 HydrophobicContact CG2-CG2 3.66Å; M988-T995 CarbonylContact O-C 3.56Å; M988-T995 WeakPolarHBondContact O-CA 3.27Å; T995-I998 HydrophobicContact CG2-CD1 4.28Å; T995-I998 HydrophobicContact CG2-CG1 3.7Å
996	I	60.5	Low	53.4	Low	88 Å²	88	77.5 Å²	77.5	45%	0.451	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	-40.5	177.9	-40.1	177.6	0	0	0	110.6	M988 N990 E994 Y1016	M988-I996 PolarHBondContact O-N 2.94Å; N990-I996 HydrophobicContact CB-CD1 3.78Å; N990-I996 HydrophobicContact CB-CG1 3.95Å; E994-I996 PolarHBondContact O-N 2.88Å; I996-Y1016 HydrophobicContact CG2-CE2 4.26Å; I996-Y1016 WeakPolarHBondContact CG2-OH 3.4Å
997	A	57.2	Low	53.4	Low	8 Å²	8	78 Å²	78	7%	0.066	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	151.4	179.6	0	0	0	0	0	110	M988 Y1016	M988-A997 HydrophobicContact CE-CB 4.38Å; M988-A997 PolarHBondContact N-O 3.29Å; M988-A997 PolarHBondContact O-N 3.39Å; A997-Y1016 HydrophobicContact CB-CD2 4.2Å; A997-Y1016 HydrophobicContact CB-CE2 4.34Å
998	I	59.2	Low	53.5	Low	77 Å²	77	76.9 Å²	76.9	40%	0.395	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	124.4	166.1	-55.5	-179.4	0	0	0	106	P985 I987 T995 E1000	P985-I998 HydrophobicContact CB-CG2 3.87Å; I987-I998 HydrophobicContact CG1-CG1 4.33Å; I987-I998 HydrophobicContact CG1-CG2 4.28Å; I987-I998 HydrophobicContact CG2-CG1 4.5Å; T995-I998 HydrophobicContact CG2-CD1 4.28Å; T995-I998 HydrophobicContact CG2-CG1 3.7Å; I998-E1000 HydrophobicContact CG2-CG 4.28Å
999	I	57.7	Low	53.5	Low	17 Å²	17	81.5 Å²	81.5	9%	0.087	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	117.2	177.4	-58.3	176.8	0	0	0	107.7	T986 M988 A1012 I1015	T986-I999 PolarHBondContact N-O 3.41Å; T986-I999 PolarHBondContact O-N 3.17Å; M988-I999 HydrophobicContact CE-CD1 4.37Å; I999-A1012 HydrophobicContact CD1-CB 4.08Å; I999-I1015 HydrophobicContact CD1-CG2 4.41Å
1000	E	51.1	Low	53.7	Low	136 Å²	136	85.8 Å²	85.8	64%	0.636	48%	0.484	S	S	*	.			trans	-107.9	127.3	174.8	-67.9	-175.4	174.5	0	0	108.9	P985 I998	P985-E1000 HydrophobicContact CB-CG 3.89Å; I998-E1000 HydrophobicContact CG2-CG 4.28Å
1001	T	54	Low	53.7	Low	42 Å²	42	88.3 Å²	88.3	26%	0.258	49%	0.494	S	S	.	.			trans	-101.8	141.4	172.9	45.3	0	0	0	0	110.7	E1003 L1007	T1001-E1003 WeakPolarHBondContact CB-O 3.25Å; T1001-E1003 PolarHBondContact O-N 2.96Å; T1001-E1003 PolarHBondContact OG1-O 3.22Å; T1001-L1007 HydrophobicContact CG2-CD1 3.47Å; T1001-L1007 VanDerWaalsContact CG2-CD1 3.47Å
1002	S	49	Very low	54.5	Low	98 Å²	98	81.5 Å²	81.5	69%	0.685	46%	0.463	S	S	*	.	S	Bend	trans	-60	-31.8	170.3	45.4	0	0	0	0	112.4	T981	T981-S1002 WeakPolarHBondContact CB-O 3.33Å; T981-S1002 WeakPolarHBondContact CG2-O 3.44Å
1003	E	52	Low	54.9	Low	158 Å²	158	78.6 Å²	78.6	74%	0.738	45%	0.453	S	S	*	.	S	Bend	trans	-97.5	134.3	176.1	-62.1	-175.6	-171.9	0	0	111	T1001 G1005	T1001-E1003 WeakPolarHBondContact CB-O 3.25Å; T1001-E1003 PolarHBondContact O-N 2.96Å; T1001-E1003 PolarHBondContact OG1-O 3.22Å; E1003-G1005 PolarHBondContact O-N 2.8Å
1004	G	48.3	Very low	55.5	Low	53 Å²	53	81.8 Å²	81.8	55%	0.546	45%	0.452	S	S	.	.			trans	-75.8	33.9	-164.1	0	0	0	0	0	117.1	Q982	Q982-G1004 WeakPolarHBondContact O-CA 3.35Å
1005	G	50.6	Low	55.8	Low	41 Å²	41	79 Å²	79	42%	0.423	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-92.4	146.3	176.8	0	0	0	0	0	113	E1003 L1007	E1003-G1005 PolarHBondContact O-N 2.8Å; G1005-L1007 PolarHBondContact O-N 3.48Å
1006	T	49.1	Very low	56	Low	112 Å²	112	78.8 Å²	78.8	69%	0.687	43%	0.431	S	S	*	.	P	Polyproline II helix	trans	-72.1	117.7	165.5	50.6	0	0	0	0	109.3
1007	L	55.5	Low	55.8	Low	38 Å²	38	80 Å²	80	20%	0.199	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-68.6	134.6	-178	-138.7	100.6	0	0	0	111.3	T1001 G1005 L1009 Q1011 A1012 I1015	T1001-L1007 HydrophobicContact CG2-CD1 3.47Å; T1001-L1007 VanDerWaalsContact CG2-CD1 3.47Å; G1005-L1007 PolarHBondContact O-N 3.48Å; L1007-L1009 PolarHBondContact O-N 2.92Å; L1007-Q1011 HydrophobicContact CD2-CB 3.93Å; L1007-A1012 HydrophobicContact CD2-CB 3.88Å; L1007-I1015 HydrophobicContact CD2-CD1 3.9Å
1008	P	60.3	Low	55.9	Low	69 Å²	69	88.1 Å²	88.1	45%	0.448	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-59	137.3	169.2	-23.6	34.7	0	0	0	111.1	E1010 Q1011 A1012	P1008-E1010 PolarHBondContact O-N 3.19Å; P1008-E1010 VanDerWaalsContact O-N 3.17Å; P1008-Q1011 PolarHBondContact O-N 3.43Å; P1008-Q1011 VanDerWaalsContact O-N 3.14Å; P1008-A1012 PolarHBondContact O-N 3.07Å
1009	L	53.4	Low	55.8	Low	115 Å²	115	86.6 Å²	86.6	60%	0.602	46%	0.463	S	S	*	.	H	α-helix	trans	-58.2	-33.7	-176	-179	61.3	0	0	0	112.6	M988 L1007 A1012 L1013	M988-L1009 HydrophobicContact SD-CD1 4.21Å; L1007-L1009 PolarHBondContact O-N 2.92Å; L1009-A1012 PolarHBondContact O-N 3.5Å; L1009-L1013 HydrophobicContact CD1-CD1 4.41Å; L1009-L1013 HydrophobicContact CD1-CG 4.4Å; L1009-L1013 HydrophobicContact CG-CD1 4.09Å; L1009-L1013 WeakPolarHBondContact O-CB 3.42Å; L1009-L1013 VanDerWaalsContact O-CG 3.26Å; L1009-L1013 WeakPolarHBondContact O-CG 3.44Å; L1009-L1013 PolarHBondContact O-N 3.47Å
1010	E	56.8	Low	55.7	Low	157 Å²	157	91 Å²	91	73%	0.734	49%	0.486	S	S	*	.	H	α-helix	trans	-65.1	-47.1	178.1	-64.6	173.1	156.2	0	0	111.3	P1008 A1012 L1013 E1014	P1008-E1010 PolarHBondContact O-N 3.19Å; P1008-E1010 VanDerWaalsContact O-N 3.17Å; E1010-A1012 VanDerWaalsContact C-N 3.33Å; E1010-A1012 PolarHBondContact O-N 3.05Å; E1010-L1013 PolarHBondContact O-N 3.23Å; E1010-E1014 PolarHBondContact O-N 2.82Å
1011	Q	59.2	Low	55.7	Low	101 Å²	101	91.8 Å²	91.8	47%	0.472	49%	0.489	S	S	.	.	H	α-helix	trans	-64.8	-34.9	173.4	-82.6	-178.4	-35.5	0	0	112.6	L1007 P1008 L1013 E1014 I1015	L1007-Q1011 HydrophobicContact CD2-CB 3.93Å; P1008-Q1011 PolarHBondContact O-N 3.43Å; P1008-Q1011 VanDerWaalsContact O-N 3.14Å; Q1011-L1013 VanDerWaalsContact C-N 3.29Å; Q1011-L1013 PolarHBondContact O-N 3.07Å; Q1011-E1014 PolarHBondContact O-N 3.36Å; Q1011-I1015 WeakPolarHBondContact O-CB 3.11Å; Q1011-I1015 VanDerWaalsContact O-CG1 3.26Å; Q1011-I1015 WeakPolarHBondContact O-CG1 3.35Å; Q1011-I1015 PolarHBondContact O-N 2.96Å
1012	A	62.3	Low	55.6	Low	0 Å²	0	95.2 Å²	95.2	0%	0	51%	0.506	C	S	.	.	H	α-helix	trans	-65.4	-35.3	175.5	0	0	0	0	0	111.7	M988 I999 L1007 P1008 L1009 E1010 Y1016	M988-A1012 HydrophobicContact SD-CB 4.08Å; I999-A1012 HydrophobicContact CD1-CB 4.08Å; L1007-A1012 HydrophobicContact CD2-CB 3.88Å; P1008-A1012 PolarHBondContact O-N 3.07Å; L1009-A1012 PolarHBondContact O-N 3.5Å; E1010-A1012 VanDerWaalsContact C-N 3.33Å; E1010-A1012 PolarHBondContact O-N 3.05Å; A1012-Y1016 WeakPolarHBondContact O-CB 3.17Å; A1012-Y1016 PolarHBondContact O-N 3.46Å; A1012-Y1016 VanDerWaalsContact O-N 3.15Å
1013	L	57.7	Low	55.5	Low	75 Å²	75	93.1 Å²	93.1	39%	0.393	50%	0.501	S	S	.	.	H	α-helix	trans	-73.6	-39.8	174.3	-71.1	168.2	0	0	0	112.2	M988 L1009 E1010 Q1011 Y1016 Q1017	M988-L1013 HydrophobicContact CE-CD2 4.43Å; M988-L1013 HydrophobicContact SD-CD2 4.04Å; M988-L1013 HydrophobicContact SD-CG 4.4Å; L1009-L1013 HydrophobicContact CD1-CD1 4.41Å; L1009-L1013 HydrophobicContact CD1-CG 4.4Å; L1009-L1013 HydrophobicContact CG-CD1 4.09Å; L1009-L1013 WeakPolarHBondContact O-CB 3.42Å; L1009-L1013 VanDerWaalsContact O-CG 3.26Å; L1009-L1013 WeakPolarHBondContact O-CG 3.44Å; L1009-L1013 PolarHBondContact O-N 3.47Å; E1010-L1013 PolarHBondContact O-N 3.23Å; Q1011-L1013 VanDerWaalsContact C-N 3.29Å; Q1011-L1013 PolarHBondContact O-N 3.07Å; L1013-Y1016 PolarHBondContact O-N 3.08Å; L1013-Q1017 WeakPolarHBondContact O-CB 3.35Å; L1013-Q1017 WeakPolarHBondContact O-CG 3.46Å; L1013-Q1017 PolarHBondContact O-N 2.84Å
1014	E	59.3	Low	54.8	Low	126 Å²	126	94.1 Å²	94.1	59%	0.589	51%	0.51	S	S	*	.	H	α-helix	trans	-60.9	-46.5	173.1	-74.5	-172.2	147	0	0	111.8	E1010 Q1011 Y1016 Q1017 R1018	E1010-E1014 PolarHBondContact O-N 2.82Å; Q1011-E1014 PolarHBondContact O-N 3.36Å; E1014-Y1016 VanDerWaalsContact C-N 3.3Å; E1014-Y1016 PolarHBondContact O-N 2.75Å; E1014-Q1017 PolarHBondContact O-N 2.89Å; E1014-R1018 VanDerWaalsContact O-CB 3.29Å; E1014-R1018 WeakPolarHBondContact O-CB 3.48Å; E1014-R1018 PolarHBondContact O-N 3.37Å
1015	I	62.6	Low	53.8	Low	68 Å²	68	95.8 Å²	95.8	35%	0.349	52%	0.519	S	S	.	.	H	α-helix	trans	-59.6	-43.1	176.3	-69.5	165.9	0	0	0	110.4	I999 L1007 Q1011 A1019	I999-I1015 HydrophobicContact CD1-CG2 4.41Å; L1007-I1015 HydrophobicContact CD2-CD1 3.9Å; Q1011-I1015 WeakPolarHBondContact O-CB 3.11Å; Q1011-I1015 VanDerWaalsContact O-CG1 3.26Å; Q1011-I1015 WeakPolarHBondContact O-CG1 3.35Å; Q1011-I1015 PolarHBondContact O-N 2.96Å; I1015-A1019 VanDerWaalsContact O-CB 3.32Å; I1015-A1019 WeakPolarHBondContact O-CB 3.32Å; I1015-A1019 PolarHBondContact O-N 2.9Å
1016	Y	60.7	Low	53.3	Low	75 Å²	75	99 Å²	99	29%	0.294	54%	0.541	S	S	.	.	H	α-helix	trans	-66.8	-40.6	177.9	-177.8	-105.8	0	0	0	113	M988 I996 A997 A1012 L1013 E1014 L1020	M988-Y1016 HydrophobicContact CE-CD1 4.47Å; M988-Y1016 HydrophobicContact CE-CD2 4.25Å; M988-Y1016 HydrophobicContact CE-CG 3.9Å; I996-Y1016 HydrophobicContact CG2-CE2 4.26Å; I996-Y1016 WeakPolarHBondContact CG2-OH 3.4Å; A997-Y1016 HydrophobicContact CB-CD2 4.2Å; A997-Y1016 HydrophobicContact CB-CE2 4.34Å; A1012-Y1016 WeakPolarHBondContact O-CB 3.17Å; A1012-Y1016 PolarHBondContact O-N 3.46Å; A1012-Y1016 VanDerWaalsContact O-N 3.15Å; L1013-Y1016 PolarHBondContact O-N 3.08Å; E1014-Y1016 VanDerWaalsContact C-N 3.3Å; E1014-Y1016 PolarHBondContact O-N 2.75Å; Y1016-L1020 HydrophobicContact CD1-CD1 4.01Å; Y1016-L1020 HydrophobicContact CE1-CD1 3.57Å; Y1016-L1020 WeakPolarHBondContact O-CG 3.31Å; Y1016-L1020 PolarHBondContact O-N 2.87Å; Y1016-L1020 VanDerWaalsContact O-N 3.13Å
1017	Q	55.6	Low	52.3	Low	114 Å²	114	100.8 Å²	100.8	53%	0.533	55%	0.546	S	S	.	.	H	α-helix	trans	-65.1	-46.5	175	-75.8	174.1	-10.1	0	0	111.3	L1013 E1014 A1019 L1020 E1021	L1013-Q1017 WeakPolarHBondContact O-CB 3.35Å; L1013-Q1017 WeakPolarHBondContact O-CG 3.46Å; L1013-Q1017 PolarHBondContact O-N 2.84Å; E1014-Q1017 PolarHBondContact O-N 2.89Å; Q1017-A1019 VanDerWaalsContact C-N 3.3Å; Q1017-A1019 PolarHBondContact O-N 2.83Å; Q1017-L1020 WeakPolarHBondContact O-CA 3.17Å; Q1017-L1020 WeakPolarHBondContact O-CB 3.44Å; Q1017-L1020 PolarHBondContact O-N 2.91Å; Q1017-E1021 WeakPolarHBondContact O-CG 3.02Å; Q1017-E1021 PolarHBondContact O-N 2.63Å
1018	R	60	Low	51.8	Low	179 Å²	179	105.1 Å²	105.1	68%	0.675	58%	0.577	S	S	*	*	H	α-helix	trans	-64.3	-33.9	179	-153.9	172.7	-162.4	141.1	2.2	112.5	E1014 E1021 N1022	E1014-R1018 VanDerWaalsContact O-CB 3.29Å; E1014-R1018 WeakPolarHBondContact O-CB 3.48Å; E1014-R1018 PolarHBondContact O-N 3.37Å; R1018-E1021 PolarHBondContact O-N 2.95Å; R1018-N1022 WeakPolarHBondContact O-CB 3.48Å; R1018-N1022 VanDerWaalsContact O-CG 3.23Å; R1018-N1022 PolarHBondContact O-N 3.07Å; R1018-N1022 PolarHBondContact O-ND2 2.9Å
1019	A	56.5	Low	50.8	Low	45 Å²	45	106.4 Å²	106.4	37%	0.372	59%	0.593	S	S	.	*	H	α-helix	trans	-68.2	-31.8	171.7	0	0	0	0	0	113.1	I1015 Q1017 L1035	I1015-A1019 VanDerWaalsContact O-CB 3.32Å; I1015-A1019 WeakPolarHBondContact O-CB 3.32Å; I1015-A1019 PolarHBondContact O-N 2.9Å; Q1017-A1019 VanDerWaalsContact C-N 3.3Å; Q1017-A1019 PolarHBondContact O-N 2.83Å; A1019-L1035 HydrophobicContact CB-CD1 4.36Å
1020	L	56.3	Low	49.9	Very low	109 Å²	109	105.8 Å²	105.8	57%	0.571	60%	0.604	S	S	*	*	H	α-helix	trans	-74.3	-39.7	172.4	-72.1	168.9	0	0	0	112.2	Y1016 Q1017 G1023	Y1016-L1020 HydrophobicContact CD1-CD1 4.01Å; Y1016-L1020 HydrophobicContact CE1-CD1 3.57Å; Y1016-L1020 WeakPolarHBondContact O-CG 3.31Å; Y1016-L1020 PolarHBondContact O-N 2.87Å; Y1016-L1020 VanDerWaalsContact O-N 3.13Å; Q1017-L1020 WeakPolarHBondContact O-CA 3.17Å; Q1017-L1020 WeakPolarHBondContact O-CB 3.44Å; Q1017-L1020 PolarHBondContact O-N 2.91Å; L1020-G1023 PolarHBondContact O-N 2.96Å; L1020-G1023 VanDerWaalsContact O-N 3.11Å
1021	E	49.7	Very low	49.1	Very low	152 Å²	152	105.9 Å²	105.9	71%	0.71	61%	0.61	S	S	*	*	H	α-helix	trans	-65.5	-38.9	177.8	-71.9	175.5	161.1	0	0	112.3	Q1017 R1018 G1023	Q1017-E1021 WeakPolarHBondContact O-CG 3.02Å; Q1017-E1021 PolarHBondContact O-N 2.63Å; R1018-E1021 PolarHBondContact O-N 2.95Å; E1021-G1023 PolarHBondContact O-N 2.55Å
1022	N	52.4	Low	48.3	Very low	114 Å²	114	105 Å²	105	61%	0.61	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.8	-3.9	173.2	-70	-14.2	0	0	0	113.6	R1018 L1024 A1025	R1018-N1022 WeakPolarHBondContact O-CB 3.48Å; R1018-N1022 VanDerWaalsContact O-CG 3.23Å; R1018-N1022 PolarHBondContact O-N 3.07Å; R1018-N1022 PolarHBondContact O-ND2 2.9Å; N1022-L1024 PolarHBondContact O-N 2.89Å; N1022-A1025 PolarHBondContact O-N 3.32Å
1023	G	48	Very low	47	Very low	55 Å²	55	111 Å²	111	57%	0.567	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	14.4	-169	0	0	0	0	0	117.8	L1020 E1021	L1020-G1023 PolarHBondContact O-N 2.96Å; L1020-G1023 VanDerWaalsContact O-N 3.11Å; E1021-G1023 PolarHBondContact O-N 2.55Å
1024	L	36.9	Very low	46	Very low	178 Å²	178	116.4 Å²	116.4	93%	0.932	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-140.4	30.3	176.8	-81	-177.8	0	0	0	114.5	N1022	N1022-L1024 PolarHBondContact O-N 2.89Å
1025	A	27.8	Very low	44.7	Very low	89 Å²	89	116.3 Å²	116.3	74%	0.736	69%	0.686	S	S	*	*			trans	-134.6	137.7	164.3	0	0	0	0	0	111	N1022	N1022-A1025 PolarHBondContact O-N 3.32Å
1026	A	39.8	Very low	43.5	Very low	107 Å²	107	123.4 Å²	123.4	88%	0.884	72%	0.724	S	S	*	*			trans	-109.3	108.2	172.8	0	0	0	0	0	108.9
1027	D	28.3	Very low	42.6	Very low	151 Å²	151	125.9 Å²	125.9	81%	0.807	75%	0.745	S	S	*	*			trans	-148.1	123.7	173.2	-139.9	-20.9	0	0	0	109.5	A1029	D1027-A1029 PolarHBondContact O-N 3.4Å
1028	P	43.6	Very low	42	Very low	129 Å²	129	126.5 Å²	126.5	84%	0.838	76%	0.756	S	S	*	*			trans	-98.3	58.1	-162.5	38.4	-37	0	0	0	114.3
1029	A	40.9	Very low	40.9	Very low	96 Å²	96	123.6 Å²	123.6	79%	0.793	76%	0.761	S	S	*	*			trans	-157.3	86	175	0	0	0	0	0	115.7	D1027	D1027-A1029 PolarHBondContact O-N 3.4Å
1030	A	32.8	Very low	40	Very low	101 Å²	101	128.2 Å²	128.2	84%	0.835	78%	0.784	S	S	*	*			trans	-168.8	131	149.3	0	0	0	0	0	112.5
1031	D	39.9	Very low	39	Very low	159 Å²	159	129.4 Å²	129.4	85%	0.85	80%	0.797	S	S	*	*			trans	-2.6	120.6	166.2	-55.8	-28.4	0	0	0	121.4	L1033	D1031-L1033 PolarHBondContact O-N 3.12Å
1032	G	43.3	Very low	38.3	Very low	84 Å²	84	127.9 Å²	127.9	87%	0.866	80%	0.803	S	S	*	*				93.9	-5.9	116.4	0	0	0	0	0	120
1033	L	34.9	Very low	37.3	Very low	125 Å²	125	128.9 Å²	128.9	65%	0.654	82%	0.817	S	S	*	*			trans	-120.6	115.3	179.4	-78	166.7	0	0	0	112.8	D1031	D1031-L1033 PolarHBondContact O-N 3.12Å
1034	Q	36.7	Very low	36.5	Very low	188 Å²	188	134.5 Å²	134.5	88%	0.879	84%	0.836	S	S	*	*			trans	-95.9	116.3	167.1	-77.2	-171.4	-17.2	0	0	110.7
1035	L	32	Very low	36.4	Very low	124 Å²	124	130.9 Å²	130.9	65%	0.649	83%	0.828	S	S	*	*			trans	-88	137.1	165.4	-82.1	151.2	0	0	0	109.8	A1019	A1019-L1035 HydrophobicContact CB-CD1 4.36Å
1036	L	37.3	Very low	37.2	Very low	218 Å²	218	134.7 Å²	134.7	100%	1.141	84%	0.836	S	S	*	*			trans	-114.9	0	-179.9	-83.8	169.8	0	0	0	112.6

Retrieved 1,036 of 1,036 residues in 646.7 ms (Link to these results)

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