A0A087YEA8_POEFO Loading...

Alpha-tubulin N-acetyltransferase 1

Specifically acetylates 'Lys-40' in alpha-tubulin on the lumenal side of microtubules. Promotes microtubule destabilization and accelerates microtubule dynamics; this activity may be independent of acetylation activity. Acetylates alpha-tubulin with a slow enzymatic rate, due to a catalytic site that is not optimized for acetyl transfer. Enters the microtubule through each end and diffuses quickly throughout the lumen of microtubules. Acetylates only long/old microtubules because of its slow acetylation rate since it does not have time to act on dynamically unstable microtubules before the enzyme is released. May be involved in neuron development.

AlphaFold DB , UniProt , Accession A0A087YEA8, Species POEFO (Poecilia formosa, Amazon molly), Gene ATAT1, Length 430 aa.

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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	89	Confident	92.4	Very high	66 Å²	66	50.9 Å²	50.9	33%	0.325	26%	0.263	S	S	.	.				0	122.8	0	-178.7	176.9	-98.7	0	0	108.3	F3 E44 L45 A48 V86 V87	M1-F3 HydrophobicContact CB-CE2 4.24Å; M1-F3 HydrophobicContact CG-CD2 4.39Å; M1-F3 HydrophobicContact CG-CE2 3.64Å; M1-F3 HydrophobicContact CG-CZ 3.89Å; M1-F3 HydrophobicContact SD-CE1 4.45Å; M1-F3 HydrophobicContact SD-CE2 3.84Å; M1-F3 HydrophobicContact SD-CZ 3.51Å; M1-F3 VanDerWaalsContact SD-CZ 3.51Å; M1-E44 HydrophobicContact CE-CB 4.19Å; M1-E44 HydrophobicContact SD-CB 3.88Å; M1-L45 HydrophobicContact SD-CD2 4.42Å; M1-A48 HydrophobicContact CE-CB 3.89Å; M1-V86 WeakPolarHBondContact O-CG1 3.41Å; M1-V87 PolarHBondContact N-O 2.98Å; M1-V87 PolarHBondContact O-N 3.17Å
2	E	90.4	Very high	92.2	Very high	120 Å²	120	52.1 Å²	52.1	56%	0.561	28%	0.279	S	S	*	.			trans	-91.7	160	176.1	-58.1	-161.4	123.6	0	0	111.1	S81 V86	E2-S81 WeakPolarHBondContact OE1-CB 3.37Å; E2-S81 PolarHBondContact OE1-OG 2.74Å; E2-V86 HydrophobicContact CG-CG2 4.16Å
3	F	93.8	Very high	92.3	Very high	22 Å²	22	58.2 Å²	58.2	10%	0.096	31%	0.305	C	S	.	.			trans	-138.1	159.4	179.9	-73.1	-90.6	0	0	0	110.2	M1 F5 I7 V41 E44 V87	M1-F3 HydrophobicContact CB-CE2 4.24Å; M1-F3 HydrophobicContact CG-CD2 4.39Å; M1-F3 HydrophobicContact CG-CE2 3.64Å; M1-F3 HydrophobicContact CG-CZ 3.89Å; M1-F3 HydrophobicContact SD-CE1 4.45Å; M1-F3 HydrophobicContact SD-CE2 3.84Å; M1-F3 HydrophobicContact SD-CZ 3.51Å; M1-F3 VanDerWaalsContact SD-CZ 3.51Å; F3-F5 HydrophobicContact CB-CD2 3.98Å; F3-F5 HydrophobicContact CB-CE1 4.41Å; F3-F5 HydrophobicContact CB-CE2 3.66Å; F3-F5 HydrophobicContact CB-CG 4.49Å; F3-F5 HydrophobicContact CB-CZ 3.9Å; F3-F5 HydrophobicContact CD1-CE2 4.16Å; F3-F5 AromaticContact CD1-CZ 3.77Å; F3-F5 HydrophobicContact CD1-CZ 3.77Å; F3-F5 HydrophobicContact CG-CE2 4Å; F3-F5 HydrophobicContact CG-CZ 4.07Å; F3-F5 PolarHBondContact O-N 2.63Å; F3-I7 HydrophobicContact CB-CD1 3.99Å; F3-I7 HydrophobicContact CD2-CD1 3.71Å; F3-I7 HydrophobicContact CD2-CG1 4.35Å; F3-I7 HydrophobicContact CG-CD1 4.06Å; F3-V41 HydrophobicContact CD1-CG2 4Å; F3-V41 HydrophobicContact CD2-CG2 4.16Å; F3-V41 HydrophobicContact CE1-CB 4.26Å; F3-V41 HydrophobicContact CE1-CG2 3.83Å; F3-V41 HydrophobicContact CE2-CB 4.45Å; F3-V41 HydrophobicContact CE2-CG1 4.11Å; F3-V41 HydrophobicContact CE2-CG2 4Å; F3-V41 HydrophobicContact CG-CG2 4.16Å; F3-V41 HydrophobicContact CZ-CB 4.03Å; F3-V41 HydrophobicContact CZ-CG1 4Å; F3-V41 HydrophobicContact CZ-CG2 3.83Å; F3-E44 HydrophobicContact CE1-CB 3.99Å; F3-E44 HydrophobicContact CE1-CG 4.04Å; F3-E44 HydrophobicContact CZ-CB 4.06Å; F3-V87 HydrophobicContact CD2-CG2 4.12Å; F3-V87 HydrophobicContact CE2-CB 4.24Å; F3-V87 HydrophobicContact CE2-CG2 3.79Å
4	P	93.3	Very high	92.6	Very high	122 Å²	122	61.4 Å²	61.4	79%	0.792	31%	0.311	S	S	*	.	S	Bend	trans	-74.3	15	179.5	32	-36.6	0	0	0	114
5	F	93	Very high	92.9	Very high	37 Å²	37	58.3 Å²	58.3	16%	0.162	30%	0.295	C	S	.	.	S	Bend	trans	-145.7	159.4	-179.4	45.1	-107.4	0	0	0	110.3	F3 I7 L10 K37 V41	F3-F5 HydrophobicContact CB-CD2 3.98Å; F3-F5 HydrophobicContact CB-CE1 4.41Å; F3-F5 HydrophobicContact CB-CE2 3.66Å; F3-F5 HydrophobicContact CB-CG 4.49Å; F3-F5 HydrophobicContact CB-CZ 3.9Å; F3-F5 HydrophobicContact CD1-CE2 4.16Å; F3-F5 AromaticContact CD1-CZ 3.77Å; F3-F5 HydrophobicContact CD1-CZ 3.77Å; F3-F5 HydrophobicContact CG-CE2 4Å; F3-F5 HydrophobicContact CG-CZ 4.07Å; F3-F5 PolarHBondContact O-N 2.63Å; F5-I7 HydrophobicContact CD2-CD1 4.11Å; F5-I7 HydrophobicContact CE2-CD1 3.87Å; F5-I7 PolarHBondContact O-N 3.32Å; F5-L10 HydrophobicContact CD2-CD1 3.79Å; F5-L10 HydrophobicContact CE2-CD1 3.54Å; F5-K37 HydrophobicContact CB-CD 4.38Å; F5-K37 HydrophobicContact CD1-CD 4.24Å; F5-K37 HydrophobicContact CD1-CG 4.07Å; F5-K37 HydrophobicContact CD2-CB 4.43Å; F5-K37 HydrophobicContact CD2-CD 4.42Å; F5-K37 HydrophobicContact CE1-CB 4.23Å; F5-K37 HydrophobicContact CE1-CG 4.06Å; F5-K37 HydrophobicContact CE2-CB 4.09Å; F5-K37 HydrophobicContact CG-CD 4.09Å; F5-K37 HydrophobicContact CG-CG 4.33Å; F5-K37 HydrophobicContact CZ-CB 3.98Å; F5-K37 HydrophobicContact CZ-CG 4.31Å; F5-V41 HydrophobicContact CE2-CG2 3.73Å; F5-V41 HydrophobicContact CZ-CG2 3.93Å
6	D	92.8	Very high	93.1	Very high	40 Å²	40	54.9 Å²	54.9	21%	0.214	28%	0.279	C	S	.	.			trans	-64.4	125.9	178.4	-172.4	-27.7	0	0	0	111.5	N8 Q9	D6-N8 WeakPolarHBondContact OD1-CA 3.33Å; D6-N8 WeakPolarHBondContact OD1-CB 3.37Å; D6-N8 PolarHBondContact OD1-N 3.12Å; D6-Q9 HydrophobicContact CB-CB 4.15Å; D6-Q9 HydrophobicContact CB-CG 3.97Å; D6-Q9 PolarHBondContact OD1-N 3.45Å; D6-Q9 VanDerWaalsContact OD1-N 3.08Å; D6-Q9 WeakPolarHBondContact OD2-CG 3.42Å; D6-Q9 PolarHBondContact OD2-NE2 2.88Å
7	I	94.8	Very high	93.3	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.005	28%	0.279	C	S	.	.	S	Bend	trans	-86.1	-30.8	-179.6	-66.4	-57.5	0	0	0	111.3	F3 F5 Q9 L10 F11 V41 K76 R84 V87	F3-I7 HydrophobicContact CB-CD1 3.99Å; F3-I7 HydrophobicContact CD2-CD1 3.71Å; F3-I7 HydrophobicContact CD2-CG1 4.35Å; F3-I7 HydrophobicContact CG-CD1 4.06Å; F5-I7 HydrophobicContact CD2-CD1 4.11Å; F5-I7 HydrophobicContact CE2-CD1 3.87Å; F5-I7 PolarHBondContact O-N 3.32Å; I7-Q9 VanDerWaalsContact C-N 3.26Å; I7-Q9 PolarHBondContact O-N 3.32Å; I7-L10 HydrophobicContact CD1-CD1 4.26Å; I7-L10 PolarHBondContact O-N 2.82Å; I7-F11 HydrophobicContact CG2-CD2 3.98Å; I7-F11 PolarHBondContact O-N 3.38Å; I7-V41 HydrophobicContact CD1-CG2 4.08Å; I7-K76 HydrophobicContact CG2-CB 4.09Å; I7-K76 HydrophobicContact CG2-CD 4.06Å; I7-R84 WeakPolarHBondContact CB-O 3.23Å; I7-R84 PolarHBondContact N-O 2.72Å; I7-V87 HydrophobicContact CD1-CG2 3.92Å; I7-V87 HydrophobicContact CG1-CG2 4.15Å; I7-V87 HydrophobicContact CG2-CG2 3.82Å
8	N	92.6	Very high	93.5	Very high	42 Å²	42	51.8 Å²	51.8	23%	0.225	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-24.3	174.8	-71.3	-39.6	0	0	0	112.4	D6 F11 K76 G78 G83 R84 G85	D6-N8 WeakPolarHBondContact OD1-CA 3.33Å; D6-N8 WeakPolarHBondContact OD1-CB 3.37Å; D6-N8 PolarHBondContact OD1-N 3.12Å; N8-F11 CarbonylContact C-O 3.49Å; N8-F11 WeakPolarHBondContact CA-O 3.11Å; N8-F11 VanDerWaalsContact O-O 3.06Å; N8-K76 WeakPolarHBondContact OD1-CD 3.45Å; N8-K76 WeakPolarHBondContact OD1-CE 3.4Å; N8-K76 PolarHBondContact OD1-NZ 3Å; N8-G78 PolarHBondContact ND2-O 2.82Å; N8-G78 WeakPolarHBondContact OD1-CA 3.49Å; N8-G83 PolarHBondContact ND2-O 2.89Å; N8-R84 PolarHBondContact N-O 3Å; N8-G85 PolarHBondContact ND2-N 2.84Å
9	Q	91.4	Very high	93.5	Very high	108 Å²	108	52.1 Å²	52.1	51%	0.505	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-27.1	171	-74.7	176.4	43	0	0	113.9	D6 I7	D6-Q9 HydrophobicContact CB-CB 4.15Å; D6-Q9 HydrophobicContact CB-CG 3.97Å; D6-Q9 PolarHBondContact OD1-N 3.45Å; D6-Q9 VanDerWaalsContact OD1-N 3.08Å; D6-Q9 WeakPolarHBondContact OD2-CG 3.42Å; D6-Q9 PolarHBondContact OD2-NE2 2.88Å; I7-Q9 VanDerWaalsContact C-N 3.26Å; I7-Q9 PolarHBondContact O-N 3.32Å
10	L	91.9	Very high	93.4	Very high	2 Å²	2	53.7 Å²	53.7	1%	0.01	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-51.7	178.3	-60.1	179	0	0	0	110.7	F5 I7 A24 S25 L34 K37 I38 V41	F5-L10 HydrophobicContact CD2-CD1 3.79Å; F5-L10 HydrophobicContact CE2-CD1 3.54Å; I7-L10 HydrophobicContact CD1-CD1 4.26Å; I7-L10 PolarHBondContact O-N 2.82Å; L10-A24 VanDerWaalsContact O-CB 3.24Å; L10-A24 WeakPolarHBondContact O-CB 3.46Å; L10-S25 PolarHBondContact O-OG 2.83Å; L10-L34 HydrophobicContact CD2-CB 4.01Å; L10-L34 HydrophobicContact CD2-CD2 3.9Å; L10-L34 HydrophobicContact CD2-CG 4.46Å; L10-K37 HydrophobicContact CD1-CB 3.82Å; L10-K37 HydrophobicContact CD2-CB 3.79Å; L10-K37 HydrophobicContact CD2-CD 4.09Å; L10-K37 HydrophobicContact CG-CB 4.47Å; L10-I38 HydrophobicContact CB-CG1 4.23Å; L10-I38 HydrophobicContact CD1-CG1 4.49Å; L10-I38 HydrophobicContact CD2-CG1 4.37Å; L10-V41 HydrophobicContact CD1-CG2 4.26Å
11	F	93	Very high	93.3	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.277	C	S	.	.			trans	-112.4	115.8	-175.7	-53.1	-71.7	0	0	0	107.1	I7 N8 S16 L18 A24 I38 V41 L74 K76	I7-F11 HydrophobicContact CG2-CD2 3.98Å; I7-F11 PolarHBondContact O-N 3.38Å; N8-F11 CarbonylContact C-O 3.49Å; N8-F11 WeakPolarHBondContact CA-O 3.11Å; N8-F11 VanDerWaalsContact O-O 3.06Å; F11-S16 WeakPolarHBondContact CB-OG 3.37Å; F11-L18 HydrophobicContact CE1-CD1 4.02Å; F11-L18 HydrophobicContact CE1-CD2 4.35Å; F11-A24 HydrophobicContact CD1-CB 3.52Å; F11-A24 HydrophobicContact CE1-CB 3.71Å; F11-I38 HydrophobicContact CE1-CG1 4.15Å; F11-I38 HydrophobicContact CE1-CG2 4.42Å; F11-I38 HydrophobicContact CZ-CB 4.5Å; F11-I38 HydrophobicContact CZ-CG1 3.93Å; F11-I38 HydrophobicContact CZ-CG2 4.32Å; F11-V41 HydrophobicContact CE2-CG1 4.18Å; F11-V41 HydrophobicContact CE2-CG2 4.45Å; F11-V41 HydrophobicContact CZ-CG1 4.27Å; F11-L74 HydrophobicContact CD1-CD2 4.04Å; F11-L74 HydrophobicContact CD2-CD2 3.97Å; F11-L74 HydrophobicContact CE1-CD1 4Å; F11-L74 HydrophobicContact CE1-CD2 4.11Å; F11-L74 HydrophobicContact CE2-CD1 4.19Å; F11-L74 HydrophobicContact CE2-CD2 4.03Å; F11-L74 HydrophobicContact CG-CD2 3.98Å; F11-L74 HydrophobicContact CZ-CD1 3.69Å; F11-L74 HydrophobicContact CZ-CD2 4.1Å; F11-K76 HydrophobicContact CB-CD 4.18Å; F11-K76 WeakPolarHBondContact O-CE 3.31Å
12	S	90.3	Very high	93.3	Very high	65 Å²	65	51.7 Å²	51.7	46%	0.455	26%	0.263	S	S	.	.			trans	-78.2	-52.7	177.6	-51.9	0	0	0	0	110.1	K76	S12-K76 VanDerWaalsContact O-CE 3.23Å; S12-K76 WeakPolarHBondContact O-CE 3.43Å; S12-K76 PolarHBondContact O-NZ 2.92Å
13	E	93.8	Very high	93.2	Very high	131 Å²	131	48.2 Å²	48.2	61%	0.612	25%	0.248	S	C	*	.	S	Bend	trans	-71.1	153.8	-177.9	-59	-49.1	136	0	0	113.6	I15 K76	E13-I15 VanDerWaalsContact C-N 3.29Å; E13-I15 WeakPolarHBondContact CB-O 3.29Å; E13-I15 PolarHBondContact O-N 3.26Å; E13-K76 VanDerWaalsContact O-CE 3.3Å; E13-K76 WeakPolarHBondContact O-CE 3.18Å
14	R	95.7	Very high	92.6	Very high	103 Å²	103	48.2 Å²	48.2	39%	0.389	25%	0.252	S	S	.	.	S	Bend	trans	-60.1	-38.4	173.2	-179.5	175.5	167.2	93.4	-2	112.2	M75 K76 E132	R14-M75 WeakPolarHBondContact O-CA 3.13Å; R14-K76 PolarHBondContact O-N 2.78Å; R14-E132 IonicContact CZ-OE1 2.73Å; R14-E132 IonicContact CZ-OE2 3.46Å; R14-E132 IonicContact NE-OE1 2.73Å; R14-E132 PolarHBondContact NE-OE1 2.87Å; R14-E132 IonicContact NE-OE2 2.71Å; R14-E132 IonicContact NH2-OE1 3.33Å; R14-E132 PolarHBondContact NH2-OE1 2.82Å; R14-E132 IonicContact NH2-OE2 2.76Å; R14-E132 PolarHBondContact NH2-OE2 3.08Å
15	I	97.6	Very high	91.9	Very high	15 Å²	15	43.1 Å²	43.1	8%	0.077	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	114.3	169.1	-57.8	173	0	0	0	107.5	E13 Y73 L74 M75 E132 L133 F136	E13-I15 VanDerWaalsContact C-N 3.29Å; E13-I15 WeakPolarHBondContact CB-O 3.29Å; E13-I15 PolarHBondContact O-N 3.26Å; I15-Y73 HydrophobicContact CG2-CD1 4.46Å; I15-L74 CarbonylContact C-O 3.55Å; I15-L74 WeakPolarHBondContact CA-O 3.44Å; I15-M75 HydrophobicContact CD1-CE 3.69Å; I15-M75 HydrophobicContact CG1-CB 4.47Å; I15-M75 HydrophobicContact CG1-CE 3.81Å; I15-M75 HydrophobicContact CG1-CG 4.39Å; I15-E132 HydrophobicContact CD1-CG 4.45Å; I15-L133 HydrophobicContact CD1-CD1 4.03Å; I15-L133 HydrophobicContact CG1-CD1 4.17Å; I15-L133 HydrophobicContact CG2-CD1 3.62Å; I15-F136 HydrophobicContact CB-CD1 4.29Å; I15-F136 HydrophobicContact CB-CD2 4.36Å; I15-F136 HydrophobicContact CB-CE1 4.26Å; I15-F136 HydrophobicContact CB-CE2 4.33Å; I15-F136 HydrophobicContact CB-CG 4.34Å; I15-F136 HydrophobicContact CB-CZ 4.28Å; I15-F136 HydrophobicContact CD1-CB 3.65Å; I15-F136 HydrophobicContact CD1-CD1 4.34Å; I15-F136 HydrophobicContact CD1-CD2 3.88Å; I15-F136 HydrophobicContact CD1-CG 3.7Å; I15-F136 HydrophobicContact CG2-CD1 3.61Å; I15-F136 HydrophobicContact CG2-CE1 3.68Å; I15-F136 HydrophobicContact CG2-CG 4.07Å; I15-F136 HydrophobicContact CG2-CZ 4.19Å
16	S	96.7	Very high	90.9	Very high	5 Å²	5	52 Å²	52	4%	0.035	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	142.5	176.1	-68	0	0	0	0	110.5	F11 L74	F11-S16 WeakPolarHBondContact CB-OG 3.37Å; S16-L74 PolarHBondContact N-O 3.24Å; S16-L74 PolarHBondContact O-N 3.21Å
17	I	96.8	Very high	89.7	Confident	54 Å²	54	55 Å²	55	28%	0.277	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	127.9	179.3	-47.4	-178.8	0	0	0	108.5	Y73 F136 H140	I17-Y73 HydrophobicContact CB-CE1 4.48Å; I17-Y73 HydrophobicContact CD1-CD1 4.35Å; I17-Y73 HydrophobicContact CD1-CE1 3.8Å; I17-Y73 HydrophobicContact CG1-CD1 3.88Å; I17-Y73 HydrophobicContact CG1-CE1 3.8Å; I17-Y73 HydrophobicContact CG2-CD1 4.4Å; I17-Y73 HydrophobicContact CG2-CE1 4.01Å; I17-F136 HydrophobicContact CD1-CE1 3.96Å; I17-F136 HydrophobicContact CD1-CZ 4.38Å; I17-F136 HydrophobicContact CG1-CE1 4.01Å; I17-H140 WeakPolarHBondContact CD1-CD2 3.45Å; I17-H140 VanDerWaalsContact CD1-NE2 3.31Å; I17-H140 WeakPolarHBondContact CD1-NE2 3.15Å
18	L	95.8	Very high	88.5	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	141.5	178.1	-64.5	174.9	0	0	0	110.8	F11 A24 I38 L42 L65 Q71 L72 L74	F11-L18 HydrophobicContact CE1-CD1 4.02Å; F11-L18 HydrophobicContact CE1-CD2 4.35Å; L18-A24 HydrophobicContact CD2-CB 3.9Å; L18-I38 HydrophobicContact CD1-CG2 4.03Å; L18-I38 HydrophobicContact CD2-CG2 4.18Å; L18-L42 HydrophobicContact CD1-CD1 4.12Å; L18-L42 HydrophobicContact CD1-CD2 3.84Å; L18-L42 HydrophobicContact CD1-CG 4.19Å; L18-L65 HydrophobicContact CB-CD2 4.13Å; L18-Q71 CarbonylContact O-C 3.52Å; L18-Q71 WeakPolarHBondContact O-CA 3.45Å; L18-L72 HydrophobicContact CB-CB 4.42Å; L18-L72 HydrophobicContact CD1-CD2 4.33Å; L18-L72 PolarHBondContact N-O 3.04Å; L18-L72 PolarHBondContact O-N 3.36Å; L18-L74 HydrophobicContact CD1-CD1 4.31Å
19	D	93.3	Very high	87.6	Confident	56 Å²	56	59.5 Å²	59.5	30%	0.299	28%	0.282	S	S	.	.			trans	-127.3	-168.3	177.9	73.2	-11.4	0	0	0	110.7	N21 L22	D19-N21 PolarHBondContact O-N 3.5Å; D19-N21 WeakPolarHBondContact OD1-CA 3.48Å; D19-N21 VanDerWaalsContact OD1-CB 3.26Å; D19-N21 WeakPolarHBondContact OD1-CB 3.41Å; D19-N21 PolarHBondContact OD1-N 2.76Å; D19-N21 PolarHBondContact OD1-ND2 3.07Å; D19-N21 PolarHBondContact OD2-ND2 2.55Å; D19-L22 PolarHBondContact O-N 3.08Å; D19-L22 VanDerWaalsContact O-N 3.11Å
20	Q	92.5	Very high	86.7	Confident	85 Å²	85	61.3 Å²	61.3	40%	0.397	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-16.6	174.3	56.1	167.2	77.5	0	0	115.7	L65	Q20-L65 WeakPolarHBondContact CA-O 3.33Å
21	N	91.3	Very high	86.1	Confident	73 Å²	73	66.4 Å²	66.4	39%	0.39	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-12.4	-178.6	-57.5	-68.1	0	0	0	113.2	D19 I23 R35	D19-N21 PolarHBondContact O-N 3.5Å; D19-N21 WeakPolarHBondContact OD1-CA 3.48Å; D19-N21 VanDerWaalsContact OD1-CB 3.26Å; D19-N21 WeakPolarHBondContact OD1-CB 3.41Å; D19-N21 PolarHBondContact OD1-N 2.76Å; D19-N21 PolarHBondContact OD1-ND2 3.07Å; D19-N21 PolarHBondContact OD2-ND2 2.55Å; N21-I23 VanDerWaalsContact C-N 3.29Å; N21-I23 HydrophobicContact CB-CD1 3.87Å; N21-I23 HydrophobicContact CB-CG1 4.03Å; N21-I23 PolarHBondContact O-N 2.71Å; N21-R35 PolarHBondContact O-NH1 3.33Å
22	L	89.6	Confident	85.7	Confident	4 Å²	4	70.5 Å²	70.5	2%	0.021	34%	0.339	C	S	.	.			trans	55.3	37.4	-175	-53.3	-176.2	0	0	0	114	D19 I38 A39 L42 A62 L65 Q66	D19-L22 PolarHBondContact O-N 3.08Å; D19-L22 VanDerWaalsContact O-N 3.11Å; L22-I38 HydrophobicContact CB-CG2 4.36Å; L22-A39 HydrophobicContact CD1-CB 4.22Å; L22-L42 HydrophobicContact CD2-CD1 3.68Å; L22-A62 HydrophobicContact CD1-CB 4.07Å; L22-L65 HydrophobicContact CD2-CB 4.46Å; L22-L65 HydrophobicContact CD2-CD2 3.86Å; L22-L65 HydrophobicContact CD2-CG 4.27Å; L22-Q66 HydrophobicContact CD1-CG 3.83Å; L22-Q66 HydrophobicContact CD2-CG 4.32Å; L22-Q66 HydrophobicContact CG-CG 3.87Å
23	I	87.1	Confident	85.5	Confident	48 Å²	48	72.6 Å²	72.6	25%	0.246	35%	0.345	C	S	.	.			trans	-100.1	113.1	179.1	-62.5	171.1	0	0	0	109.1	N21 S25 K29	N21-I23 VanDerWaalsContact C-N 3.29Å; N21-I23 HydrophobicContact CB-CD1 3.87Å; N21-I23 HydrophobicContact CB-CG1 4.03Å; N21-I23 PolarHBondContact O-N 2.71Å; I23-S25 WeakPolarHBondContact CG2-O 3.38Å; I23-K29 HydrophobicContact CD1-CB 4.16Å; I23-K29 HydrophobicContact CD1-CG 3.96Å; I23-K29 HydrophobicContact CG1-CB 4.49Å; I23-K29 HydrophobicContact CG2-CB 4.07Å
24	A	80.8	Confident	85.3	Confident	21 Å²	21	67.1 Å²	67.1	17%	0.174	32%	0.32	C	S	.	.			trans	-91.5	-27	176.8	0	0	0	0	0	113.7	L10 F11 L18 S28 I38	L10-A24 VanDerWaalsContact O-CB 3.24Å; L10-A24 WeakPolarHBondContact O-CB 3.46Å; F11-A24 HydrophobicContact CD1-CB 3.52Å; F11-A24 HydrophobicContact CE1-CB 3.71Å; L18-A24 HydrophobicContact CD2-CB 3.9Å; A24-S28 PolarHBondContact N-OG 3.2Å; A24-I38 HydrophobicContact CB-CD1 3.69Å; A24-I38 HydrophobicContact CB-CG1 4.48Å
25	S	79.4	Confident	85.1	Confident	16 Å²	16	66.2 Å²	66.2	11%	0.112	32%	0.317	C	S	.	.	S	Bend	trans	-157.9	162.8	-168.4	65.6	0	0	0	0	110.5	L10 I23 Q27 S28 K29	L10-S25 PolarHBondContact O-OG 2.83Å; I23-S25 WeakPolarHBondContact CG2-O 3.38Å; S25-Q27 PolarHBondContact O-N 2.82Å; S25-S28 PolarHBondContact N-OG 2.87Å; S25-S28 PolarHBondContact O-N 3.43Å; S25-S28 VanDerWaalsContact O-N 3.08Å; S25-S28 PolarHBondContact O-OG 3.43Å; S25-S28 PolarHBondContact OG-N 2.9Å; S25-S28 PolarHBondContact OG-OG 2.84Å; S25-K29 PolarHBondContact O-N 2.83Å
26	R	72.6	Confident	84.8	Confident	223 Å²	223	70.1 Å²	70.1	84%	0.842	34%	0.341	S	S	*	.	H	α-helix	trans	-53.4	-42.7	174.1	-72.7	-177.1	177.5	-111.3	2.7	111.8	S28 K29 E30	R26-S28 VanDerWaalsContact C-N 3.34Å; R26-S28 PolarHBondContact O-N 3.36Å; R26-K29 VanDerWaalsContact O-CB 3.29Å; R26-K29 WeakPolarHBondContact O-CB 3.3Å; R26-K29 PolarHBondContact O-N 3.01Å; R26-K29 VanDerWaalsContact O-N 3.08Å; R26-E30 PolarHBondContact O-N 3.36Å
27	Q	67.4	Low	84.8	Confident	102 Å²	102	73.4 Å²	73.4	48%	0.477	35%	0.354	S	S	.	.	H	α-helix	trans	-62.2	-38.1	178.7	-56.5	-172	18.7	0	0	112.8	S25 K29 E30 K31 L34	S25-Q27 PolarHBondContact O-N 2.82Å; Q27-K29 VanDerWaalsContact C-N 3.27Å; Q27-K29 PolarHBondContact O-N 3.46Å; Q27-E30 PolarHBondContact O-N 2.97Å; Q27-K31 PolarHBondContact O-N 3.15Å; Q27-L34 HydrophobicContact CB-CD1 4.19Å
28	S	70.1	Confident	84.7	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-70	-19.7	176.1	71.8	0	0	0	0	114.2	A24 S25 R26 R35	A24-S28 PolarHBondContact N-OG 3.2Å; S25-S28 PolarHBondContact N-OG 2.87Å; S25-S28 PolarHBondContact O-N 3.43Å; S25-S28 VanDerWaalsContact O-N 3.08Å; S25-S28 PolarHBondContact O-OG 3.43Å; S25-S28 PolarHBondContact OG-N 2.9Å; S25-S28 PolarHBondContact OG-OG 2.84Å; R26-S28 VanDerWaalsContact C-N 3.34Å; R26-S28 PolarHBondContact O-N 3.36Å; S28-R35 VanDerWaalsContact O-CG 3.28Å; S28-R35 WeakPolarHBondContact O-CG 2.83Å; S28-R35 PolarHBondContact O-NE 3.01Å
29	K	71.8	Confident	84.7	Confident	138 Å²	138	71.8 Å²	71.8	60%	0.6	35%	0.349	S	S	*	.	H	α-helix	trans	-69.2	-40.7	170.7	-174.3	177.4	179	-176.5	0	110.8	I23 S25 R26 Q27 R35	I23-K29 HydrophobicContact CD1-CB 4.16Å; I23-K29 HydrophobicContact CD1-CG 3.96Å; I23-K29 HydrophobicContact CG1-CB 4.49Å; I23-K29 HydrophobicContact CG2-CB 4.07Å; S25-K29 PolarHBondContact O-N 2.83Å; R26-K29 VanDerWaalsContact O-CB 3.29Å; R26-K29 WeakPolarHBondContact O-CB 3.3Å; R26-K29 PolarHBondContact O-N 3.01Å; R26-K29 VanDerWaalsContact O-N 3.08Å; Q27-K29 VanDerWaalsContact C-N 3.27Å; Q27-K29 PolarHBondContact O-N 3.46Å; K29-R35 PolarHBondContact O-NH2 3.37Å
30	E	72.9	Confident	84.9	Confident	146 Å²	146	71.8 Å²	71.8	68%	0.682	35%	0.352	S	S	*	.	H	α-helix	trans	-83.9	-37	-173.6	-69.5	155.9	-160.6	0	0	113.3	R26 Q27	R26-E30 PolarHBondContact O-N 3.36Å; Q27-E30 PolarHBondContact O-N 2.97Å
31	K	80.9	Confident	85.1	Confident	109 Å²	109	67.8 Å²	67.8	47%	0.474	33%	0.333	S	S	.	.			trans	-104.1	111	-175.2	-63.7	-178.5	-175.3	178.4	0	112	Q27 D33 L34	Q27-K31 PolarHBondContact O-N 3.15Å; K31-D33 VanDerWaalsContact C-N 3.3Å; K31-D33 PolarHBondContact O-N 3.48Å; K31-L34 HydrophobicContact CB-CD1 3.98Å; K31-L34 HydrophobicContact CB-CG 3.85Å; K31-L34 HydrophobicContact CD-CD1 4.16Å; K31-L34 PolarHBondContact O-N 2.94Å
32	P	82.7	Confident	85.4	Confident	87 Å²	87	64.3 Å²	64.3	57%	0.565	31%	0.314	S	S	*	.	H	α-helix	trans	-63.1	-34.4	-177.9	25.4	-33.5	0	0	0	112.8	L34 R35 V36	P32-L34 PolarHBondContact O-N 2.69Å; P32-R35 WeakPolarHBondContact O-CA 3.39Å; P32-R35 WeakPolarHBondContact O-CB 3.44Å; P32-R35 PolarHBondContact O-N 3.24Å; P32-V36 PolarHBondContact O-N 3.37Å
33	D	87.8	Confident	85.8	Confident	109 Å²	109	66.4 Å²	66.4	58%	0.583	33%	0.325	S	S	*	.	H	α-helix	trans	-58	-32.3	179.1	-44.2	-27.5	0	0	0	112.8	K31 R35 V36 K37	K31-D33 VanDerWaalsContact C-N 3.3Å; K31-D33 PolarHBondContact O-N 3.48Å; D33-R35 VanDerWaalsContact C-N 3.34Å; D33-V36 PolarHBondContact O-N 3.08Å; D33-K37 WeakPolarHBondContact O-CG 3.25Å; D33-K37 PolarHBondContact O-N 3.27Å
34	L	88.9	Confident	86.4	Confident	15 Å²	15	67.4 Å²	67.4	8%	0.079	33%	0.329	C	S	.	.	H	α-helix	trans	-71	-32.9	176.5	-57.1	-173.6	0	0	0	111.1	L10 Q27 K31 P32 K37 I38	L10-L34 HydrophobicContact CD2-CB 4.01Å; L10-L34 HydrophobicContact CD2-CD2 3.9Å; L10-L34 HydrophobicContact CD2-CG 4.46Å; Q27-L34 HydrophobicContact CB-CD1 4.19Å; K31-L34 HydrophobicContact CB-CD1 3.98Å; K31-L34 HydrophobicContact CB-CG 3.85Å; K31-L34 HydrophobicContact CD-CD1 4.16Å; K31-L34 PolarHBondContact O-N 2.94Å; P32-L34 PolarHBondContact O-N 2.69Å; L34-K37 HydrophobicContact CD2-CD 4.42Å; L34-K37 PolarHBondContact O-N 3.23Å; L34-I38 WeakPolarHBondContact O-CD1 3.24Å; L34-I38 VanDerWaalsContact O-CG1 3.26Å; L34-I38 WeakPolarHBondContact O-CG1 3.46Å; L34-I38 PolarHBondContact O-N 2.95Å
35	R	90.4	Very high	87.2	Confident	85 Å²	85	66.5 Å²	66.5	32%	0.321	32%	0.321	S	S	.	.	H	α-helix	trans	-69.1	-35	174.8	-52.5	-163.5	-163	178.7	15.5	112	N21 S28 K29 P32 D33 I38 A39	N21-R35 PolarHBondContact O-NH1 3.33Å; S28-R35 VanDerWaalsContact O-CG 3.28Å; S28-R35 WeakPolarHBondContact O-CG 2.83Å; S28-R35 PolarHBondContact O-NE 3.01Å; K29-R35 PolarHBondContact O-NH2 3.37Å; P32-R35 WeakPolarHBondContact O-CA 3.39Å; P32-R35 WeakPolarHBondContact O-CB 3.44Å; P32-R35 PolarHBondContact O-N 3.24Å; D33-R35 VanDerWaalsContact C-N 3.34Å; R35-I38 PolarHBondContact O-N 3.01Å; R35-A39 WeakPolarHBondContact O-CB 3.46Å; R35-A39 PolarHBondContact O-N 2.77Å
36	V	92.9	Very high	88.1	Confident	97 Å²	97	65.7 Å²	65.7	59%	0.588	32%	0.316	S	S	*	.	H	α-helix	trans	-62	-44.9	171.9	-178.3	0	0	0	0	110.4	P32 D33 A39 T40	P32-V36 PolarHBondContact O-N 3.37Å; D33-V36 PolarHBondContact O-N 3.08Å; V36-A39 WeakPolarHBondContact O-CB 3.28Å; V36-A39 PolarHBondContact O-N 3.32Å; V36-T40 PolarHBondContact O-N 3.46Å; V36-T40 PolarHBondContact O-OG1 2.9Å; V36-T40 VanDerWaalsContact O-OG1 3.08Å
37	K	95.1	Very high	89.3	Confident	73 Å²	73	60 Å²	60	32%	0.317	30%	0.297	S	S	.	.	H	α-helix	trans	-63.8	-42.5	175.2	-66.8	171.8	-177.8	175.5	0	112.6	F5 L10 D33 L34 A39 T40 V41	F5-K37 HydrophobicContact CB-CD 4.38Å; F5-K37 HydrophobicContact CD1-CD 4.24Å; F5-K37 HydrophobicContact CD1-CG 4.07Å; F5-K37 HydrophobicContact CD2-CB 4.43Å; F5-K37 HydrophobicContact CD2-CD 4.42Å; F5-K37 HydrophobicContact CE1-CB 4.23Å; F5-K37 HydrophobicContact CE1-CG 4.06Å; F5-K37 HydrophobicContact CE2-CB 4.09Å; F5-K37 HydrophobicContact CG-CD 4.09Å; F5-K37 HydrophobicContact CG-CG 4.33Å; F5-K37 HydrophobicContact CZ-CB 3.98Å; F5-K37 HydrophobicContact CZ-CG 4.31Å; L10-K37 HydrophobicContact CD1-CB 3.82Å; L10-K37 HydrophobicContact CD2-CB 3.79Å; L10-K37 HydrophobicContact CD2-CD 4.09Å; L10-K37 HydrophobicContact CG-CB 4.47Å; D33-K37 WeakPolarHBondContact O-CG 3.25Å; D33-K37 PolarHBondContact O-N 3.27Å; L34-K37 HydrophobicContact CD2-CD 4.42Å; L34-K37 PolarHBondContact O-N 3.23Å; K37-A39 VanDerWaalsContact C-N 3.31Å; K37-A39 PolarHBondContact O-N 3.39Å; K37-T40 PolarHBondContact O-N 2.95Å; K37-V41 WeakPolarHBondContact O-CG2 3.15Å; K37-V41 PolarHBondContact O-N 3.09Å
38	I	95.6	Very high	90.8	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-59.8	-42.1	173.6	-70.3	161.5	0	0	0	110.6	L10 F11 L18 L22 A24 L34 R35 V41 L42	L10-I38 HydrophobicContact CB-CG1 4.23Å; L10-I38 HydrophobicContact CD1-CG1 4.49Å; L10-I38 HydrophobicContact CD2-CG1 4.37Å; F11-I38 HydrophobicContact CE1-CG1 4.15Å; F11-I38 HydrophobicContact CE1-CG2 4.42Å; F11-I38 HydrophobicContact CZ-CB 4.5Å; F11-I38 HydrophobicContact CZ-CG1 3.93Å; F11-I38 HydrophobicContact CZ-CG2 4.32Å; L18-I38 HydrophobicContact CD1-CG2 4.03Å; L18-I38 HydrophobicContact CD2-CG2 4.18Å; L22-I38 HydrophobicContact CB-CG2 4.36Å; A24-I38 HydrophobicContact CB-CD1 3.69Å; A24-I38 HydrophobicContact CB-CG1 4.48Å; L34-I38 WeakPolarHBondContact O-CD1 3.24Å; L34-I38 VanDerWaalsContact O-CG1 3.26Å; L34-I38 WeakPolarHBondContact O-CG1 3.46Å; L34-I38 PolarHBondContact O-N 2.95Å; R35-I38 PolarHBondContact O-N 3.01Å; I38-V41 PolarHBondContact O-N 3.34Å; I38-L42 WeakPolarHBondContact O-CG 3.45Å; I38-L42 PolarHBondContact O-N 2.68Å
39	A	96.1	Very high	92.1	Very high	20 Å²	20	55.9 Å²	55.9	17%	0.165	28%	0.28	C	S	.	.	H	α-helix	trans	-61.3	-46.5	175.6	0	0	0	0	0	111.9	L22 R35 V36 K37 V41 L42 D43 A62	L22-A39 HydrophobicContact CD1-CB 4.22Å; R35-A39 WeakPolarHBondContact O-CB 3.46Å; R35-A39 PolarHBondContact O-N 2.77Å; V36-A39 WeakPolarHBondContact O-CB 3.28Å; V36-A39 PolarHBondContact O-N 3.32Å; K37-A39 VanDerWaalsContact C-N 3.31Å; K37-A39 PolarHBondContact O-N 3.39Å; A39-V41 VanDerWaalsContact C-N 3.31Å; A39-V41 PolarHBondContact O-N 3.21Å; A39-L42 PolarHBondContact O-N 3.45Å; A39-D43 PolarHBondContact O-N 3.43Å; A39-A62 HydrophobicContact CB-CB 3.45Å; A39-A62 VanDerWaalsContact CB-CB 3.45Å
40	T	97.2	Very high	93.4	Very high	57 Å²	57	49.5 Å²	49.5	35%	0.35	25%	0.253	S	S	.	.	H	α-helix	trans	-57.4	-42.6	173.7	-51.4	0	0	0	0	112.1	V36 K37 D43 E44	V36-T40 PolarHBondContact O-N 3.46Å; V36-T40 PolarHBondContact O-OG1 2.9Å; V36-T40 VanDerWaalsContact O-OG1 3.08Å; K37-T40 PolarHBondContact O-N 2.95Å; T40-D43 PolarHBondContact O-N 3.16Å; T40-E44 PolarHBondContact O-N 3.42Å
41	V	97.4	Very high	94.6	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-61	-45.5	176.2	171.6	0	0	0	0	111.3	F3 F5 I7 L10 F11 K37 I38 A39 D43 L45 L74 V87	F3-V41 HydrophobicContact CD1-CG2 4Å; F3-V41 HydrophobicContact CD2-CG2 4.16Å; F3-V41 HydrophobicContact CE1-CB 4.26Å; F3-V41 HydrophobicContact CE1-CG2 3.83Å; F3-V41 HydrophobicContact CE2-CB 4.45Å; F3-V41 HydrophobicContact CE2-CG1 4.11Å; F3-V41 HydrophobicContact CE2-CG2 4Å; F3-V41 HydrophobicContact CG-CG2 4.16Å; F3-V41 HydrophobicContact CZ-CB 4.03Å; F3-V41 HydrophobicContact CZ-CG1 4Å; F3-V41 HydrophobicContact CZ-CG2 3.83Å; F5-V41 HydrophobicContact CE2-CG2 3.73Å; F5-V41 HydrophobicContact CZ-CG2 3.93Å; I7-V41 HydrophobicContact CD1-CG2 4.08Å; L10-V41 HydrophobicContact CD1-CG2 4.26Å; F11-V41 HydrophobicContact CE2-CG1 4.18Å; F11-V41 HydrophobicContact CE2-CG2 4.45Å; F11-V41 HydrophobicContact CZ-CG1 4.27Å; K37-V41 WeakPolarHBondContact O-CG2 3.15Å; K37-V41 PolarHBondContact O-N 3.09Å; I38-V41 PolarHBondContact O-N 3.34Å; A39-V41 VanDerWaalsContact C-N 3.31Å; A39-V41 PolarHBondContact O-N 3.21Å; V41-D43 PolarHBondContact O-N 2.99Å; V41-L45 HydrophobicContact CG1-CD1 4.05Å; V41-L45 HydrophobicContact CG1-CG 4.41Å; V41-L45 WeakPolarHBondContact O-CB 3.46Å; V41-L45 VanDerWaalsContact O-CG 3.25Å; V41-L45 WeakPolarHBondContact O-CG 3.38Å; V41-L45 PolarHBondContact O-N 2.53Å; V41-L74 HydrophobicContact CG1-CD1 3.84Å; V41-V87 HydrophobicContact CG1-CG1 4.5Å; V41-V87 HydrophobicContact CG1-CG2 4.02Å
42	L	97.4	Very high	95.3	Very high	1 Å²	1	48 Å²	48	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-64.9	-36.9	177.9	-72.2	-176.4	0	0	0	113.3	L18 L22 I38 A39 G46 A62 L65 L72 L74	L18-L42 HydrophobicContact CD1-CD1 4.12Å; L18-L42 HydrophobicContact CD1-CD2 3.84Å; L18-L42 HydrophobicContact CD1-CG 4.19Å; L22-L42 HydrophobicContact CD2-CD1 3.68Å; I38-L42 WeakPolarHBondContact O-CG 3.45Å; I38-L42 PolarHBondContact O-N 2.68Å; A39-L42 PolarHBondContact O-N 3.45Å; L42-G46 PolarHBondContact O-N 3.01Å; L42-A62 HydrophobicContact CB-CB 4.32Å; L42-A62 HydrophobicContact CD1-CB 4.43Å; L42-L65 HydrophobicContact CD1-CD2 3.75Å; L42-L72 HydrophobicContact CD2-CD1 3.7Å; L42-L72 HydrophobicContact CD2-CD2 3.72Å; L42-L72 HydrophobicContact CD2-CG 4.36Å; L42-L74 HydrophobicContact CD2-CD1 4.32Å
43	D	98.1	Very high	96	Very high	48 Å²	48	47 Å²	47	26%	0.257	24%	0.24	S	C	.	.	H	α-helix	trans	-71.9	-40.5	-179.6	-70.1	-19.2	0	0	0	111.8	A39 T40 V41 G46 K47 S61 A62	A39-D43 PolarHBondContact O-N 3.43Å; T40-D43 PolarHBondContact O-N 3.16Å; V41-D43 PolarHBondContact O-N 2.99Å; D43-G46 PolarHBondContact O-N 2.85Å; D43-K47 WeakPolarHBondContact O-CD 3.13Å; D43-K47 VanDerWaalsContact O-CG 3.22Å; D43-K47 WeakPolarHBondContact O-CG 3.04Å; D43-K47 PolarHBondContact O-N 3.37Å; D43-S61 VanDerWaalsContact OD1-CA 3.24Å; D43-S61 WeakPolarHBondContact OD1-CA 3.45Å; D43-S61 WeakPolarHBondContact OD1-CB 3.26Å; D43-A62 PolarHBondContact OD1-N 2.93Å
44	E	98.4	Very high	96.4	Very high	68 Å²	68	49.1 Å²	49.1	32%	0.318	25%	0.251	S	S	.	.	H	α-helix	trans	-69.5	-38.8	173.5	-64.2	-46.7	132.1	0	0	112.6	M1 F3 T40 G46 K47 A48	M1-E44 HydrophobicContact CE-CB 4.19Å; M1-E44 HydrophobicContact SD-CB 3.88Å; F3-E44 HydrophobicContact CE1-CB 3.99Å; F3-E44 HydrophobicContact CE1-CG 4.04Å; F3-E44 HydrophobicContact CZ-CB 4.06Å; T40-E44 PolarHBondContact O-N 3.42Å; E44-G46 VanDerWaalsContact C-N 3.33Å; E44-G46 PolarHBondContact O-N 3.46Å; E44-K47 PolarHBondContact O-N 3.18Å; E44-K47 IonicContact OE1-NZ 2.63Å; E44-K47 PolarHBondContact OE1-NZ 2.96Å; E44-K47 WeakPolarHBondContact OE2-CD 3.28Å; E44-K47 IonicContact OE2-NZ 3.78Å; E44-A48 WeakPolarHBondContact O-CB 3.43Å; E44-A48 PolarHBondContact O-N 2.74Å
45	L	97.9	Very high	96.8	Very high	2 Å²	2	51 Å²	51	1%	0.01	26%	0.261	C	S	.	.	H	α-helix	trans	-59.8	-43	170.3	-78.6	178.7	0	0	0	112	M1 V41 A48 S49 L74 V87 F90 Y119	M1-L45 HydrophobicContact SD-CD2 4.42Å; V41-L45 HydrophobicContact CG1-CD1 4.05Å; V41-L45 HydrophobicContact CG1-CG 4.41Å; V41-L45 WeakPolarHBondContact O-CB 3.46Å; V41-L45 VanDerWaalsContact O-CG 3.25Å; V41-L45 WeakPolarHBondContact O-CG 3.38Å; V41-L45 PolarHBondContact O-N 2.53Å; L45-A48 PolarHBondContact O-N 3.05Å; L45-S49 WeakPolarHBondContact O-CB 3.31Å; L45-S49 PolarHBondContact O-N 3.44Å; L45-L74 HydrophobicContact CD1-CD1 3.68Å; L45-L74 HydrophobicContact CD1-CG 4.29Å; L45-V87 HydrophobicContact CD1-CG1 3.95Å; L45-V87 HydrophobicContact CD2-CG1 3.92Å; L45-V87 HydrophobicContact CG-CG1 4.3Å; L45-F90 HydrophobicContact CB-CD1 3.8Å; L45-F90 HydrophobicContact CB-CE1 3.78Å; L45-F90 HydrophobicContact CD1-CB 4.31Å; L45-F90 HydrophobicContact CD1-CD1 3.91Å; L45-F90 HydrophobicContact CD1-CG 4.37Å; L45-F90 HydrophobicContact CD2-CD1 4.15Å; L45-F90 HydrophobicContact CG-CD1 4.19Å; L45-Y119 HydrophobicContact CD2-CD1 4.43Å; L45-Y119 HydrophobicContact CD2-CE1 4.41Å
46	G	98.3	Very high	97.1	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-63.7	-42.3	178	0	0	0	0	0	112.9	L42 D43 E44 A50 P58 T60	L42-G46 PolarHBondContact O-N 3.01Å; D43-G46 PolarHBondContact O-N 2.85Å; E44-G46 VanDerWaalsContact C-N 3.33Å; E44-G46 PolarHBondContact O-N 3.46Å; G46-A50 WeakPolarHBondContact O-CB 3.3Å; G46-A50 PolarHBondContact O-N 3.28Å; G46-P58 WeakPolarHBondContact O-CB 3.26Å; G46-T60 WeakPolarHBondContact CA-O 3.35Å
47	K	98.5	Very high	97.4	Very high	104 Å²	104	51.7 Å²	51.7	45%	0.452	28%	0.283	S	S	.	.	H	α-helix	trans	-63	-43.7	172.8	-69.3	163.3	-167.4	175	0	111.7	D43 E44 A50 K51	D43-K47 WeakPolarHBondContact O-CD 3.13Å; D43-K47 VanDerWaalsContact O-CG 3.22Å; D43-K47 WeakPolarHBondContact O-CG 3.04Å; D43-K47 PolarHBondContact O-N 3.37Å; E44-K47 PolarHBondContact O-N 3.18Å; E44-K47 IonicContact OE1-NZ 2.63Å; E44-K47 PolarHBondContact OE1-NZ 2.96Å; E44-K47 WeakPolarHBondContact OE2-CD 3.28Å; E44-K47 IonicContact OE2-NZ 3.78Å; K47-A50 PolarHBondContact O-N 2.96Å; K47-K51 WeakPolarHBondContact O-CB 3.31Å; K47-K51 PolarHBondContact O-N 3.5Å
48	A	98.3	Very high	97.5	Very high	14 Å²	14	50.2 Å²	50.2	12%	0.116	28%	0.281	C	S	.	.	H	α-helix	trans	-64.6	-44.5	178.2	0	0	0	0	0	111.9	M1 E44 L45 A50 K51 A52 Y119	M1-A48 HydrophobicContact CE-CB 3.89Å; E44-A48 WeakPolarHBondContact O-CB 3.43Å; E44-A48 PolarHBondContact O-N 2.74Å; L45-A48 PolarHBondContact O-N 3.05Å; A48-A50 PolarHBondContact O-N 2.94Å; A48-K51 PolarHBondContact O-N 3.46Å; A48-A52 WeakPolarHBondContact O-CB 3.38Å; A48-A52 PolarHBondContact O-N 2.85Å; A48-Y119 HydrophobicContact CB-CE1 3.79Å
49	S	98.3	Very high	97.6	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.007	30%	0.297	C	S	.	.	H	α-helix	trans	-59.5	-44.5	174.1	-172	0	0	0	0	112.2	L45 K51 A52 Q53 D117	L45-S49 WeakPolarHBondContact O-CB 3.31Å; L45-S49 PolarHBondContact O-N 3.44Å; S49-K51 PolarHBondContact O-N 2.97Å; S49-A52 PolarHBondContact O-N 2.92Å; S49-Q53 WeakPolarHBondContact O-CB 3.46Å; S49-Q53 WeakPolarHBondContact O-CG 3.49Å; S49-Q53 PolarHBondContact O-N 3.01Å; S49-Q53 PolarHBondContact OG-NE2 3.15Å; S49-D117 PolarHBondContact OG-OD1 3.44Å
50	A	98.2	Very high	97.7	Very high	4 Å²	4	52.4 Å²	52.4	3%	0.033	29%	0.29	C	S	.	.	H	α-helix	trans	-60.6	-45.7	175.9	0	0	0	0	0	112.8	G46 K47 A48 A52 Q53 D54 L55 P58	G46-A50 WeakPolarHBondContact O-CB 3.3Å; G46-A50 PolarHBondContact O-N 3.28Å; K47-A50 PolarHBondContact O-N 2.96Å; A48-A50 PolarHBondContact O-N 2.94Å; A50-A52 VanDerWaalsContact C-N 3.31Å; A50-A52 PolarHBondContact O-N 2.87Å; A50-Q53 CarbonylContact O-C 3.57Å; A50-Q53 PolarHBondContact O-N 3.36Å; A50-Q53 VanDerWaalsContact O-N 3.16Å; A50-D54 PolarHBondContact O-N 3.17Å; A50-L55 HydrophobicContact CB-CB 4.03Å; A50-L55 PolarHBondContact O-N 3.45Å; A50-P58 HydrophobicContact CB-CB 4.32Å
51	K	98	Very high	97.7	Very high	181 Å²	181	50.6 Å²	50.6	79%	0.787	28%	0.279	S	S	*	.	H	α-helix	trans	-61	-39.3	175.6	-174	-179.3	178.5	-176.9	0	112.2	K47 A48 S49 Q53 D54	K47-K51 WeakPolarHBondContact O-CB 3.31Å; K47-K51 PolarHBondContact O-N 3.5Å; A48-K51 PolarHBondContact O-N 3.46Å; S49-K51 PolarHBondContact O-N 2.97Å; K51-Q53 VanDerWaalsContact C-N 3.25Å; K51-Q53 PolarHBondContact O-N 3.28Å; K51-D54 PolarHBondContact O-N 3.16Å
52	A	96.9	Very high	97.7	Very high	41 Å²	41	50.7 Å²	50.7	34%	0.339	28%	0.28	S	S	.	.	H	α-helix	trans	-73.9	-13.7	178.2	0	0	0	0	0	114.2	A48 S49 A50 Y119	A48-A52 WeakPolarHBondContact O-CB 3.38Å; A48-A52 PolarHBondContact O-N 2.85Å; S49-A52 PolarHBondContact O-N 2.92Å; A50-A52 VanDerWaalsContact C-N 3.31Å; A50-A52 PolarHBondContact O-N 2.87Å; A52-Y119 HydrophobicContact CB-CD2 3.95Å; A52-Y119 HydrophobicContact CB-CE2 3.65Å
53	Q	96.5	Very high	97.6	Very high	67 Å²	67	53.4 Å²	53.4	31%	0.313	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.3	4.2	177.7	-68.1	-176.1	81	0	0	113.3	S49 A50 K51 L55 D117	S49-Q53 WeakPolarHBondContact O-CB 3.46Å; S49-Q53 WeakPolarHBondContact O-CG 3.49Å; S49-Q53 PolarHBondContact O-N 3.01Å; S49-Q53 PolarHBondContact OG-NE2 3.15Å; A50-Q53 CarbonylContact O-C 3.57Å; A50-Q53 PolarHBondContact O-N 3.36Å; A50-Q53 VanDerWaalsContact O-N 3.16Å; K51-Q53 VanDerWaalsContact C-N 3.25Å; K51-Q53 PolarHBondContact O-N 3.28Å; Q53-L55 VanDerWaalsContact C-N 3.3Å; Q53-L55 HydrophobicContact CB-CD1 3.9Å; Q53-L55 HydrophobicContact CB-CG 3.78Å; Q53-L55 PolarHBondContact O-N 2.9Å; Q53-D117 PolarHBondContact NE2-OD1 3Å
54	D	96.7	Very high	97.6	Very high	154 Å²	154	55.1 Å²	55.1	82%	0.824	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	41.6	-174.2	-156.3	30.4	0	0	0	113.7	A50 K51	A50-D54 PolarHBondContact O-N 3.17Å; K51-D54 PolarHBondContact O-N 3.16Å
55	L	96.8	Very high	97.5	Very high	53 Å²	53	52 Å²	52	28%	0.277	29%	0.29	S	S	.	.			trans	-93.7	135.5	179.4	-60.9	176.4	0	0	0	111.2	A50 Q53 A57 I59	A50-L55 HydrophobicContact CB-CB 4.03Å; A50-L55 PolarHBondContact O-N 3.45Å; Q53-L55 VanDerWaalsContact C-N 3.3Å; Q53-L55 HydrophobicContact CB-CD1 3.9Å; Q53-L55 HydrophobicContact CB-CG 3.78Å; Q53-L55 PolarHBondContact O-N 2.9Å; L55-A57 PolarHBondContact O-N 3.38Å; L55-A57 VanDerWaalsContact O-N 3.17Å; L55-I59 HydrophobicContact CD1-CD1 4.04Å; L55-I59 HydrophobicContact CD1-CG1 4.26Å; L55-I59 HydrophobicContact CD1-CG2 4.02Å
56	P	97.3	Very high	97.3	Very high	141 Å²	141	56.6 Å²	56.6	92%	0.916	31%	0.311	S	S	*	.	S	Bend	trans	-70.1	-13.8	-176.6	29.1	-36.7	0	0	0	114
57	A	97.8	Very high	97.1	Very high	56 Å²	56	65.3 Å²	65.3	46%	0.463	35%	0.35	S	S	.	.	S	Bend	trans	-152.9	149.2	177	0	0	0	0	0	111	L55 I59	L55-A57 PolarHBondContact O-N 3.38Å; L55-A57 VanDerWaalsContact O-N 3.17Å; A57-I59 PolarHBondContact O-N 2.9Å
58	P	98.1	Very high	96.8	Very high	42 Å²	42	64 Å²	64	27%	0.273	35%	0.345	S	S	.	.			trans	-66.4	123.2	-179.9	27.6	-35.1	0	0	0	113	G46 A50 T60 K64	G46-P58 WeakPolarHBondContact O-CB 3.26Å; A50-P58 HydrophobicContact CB-CB 4.32Å; P58-T60 VanDerWaalsContact C-N 3.28Å; P58-K64 PolarHBondContact O-NZ 3.21Å
59	I	97.3	Very high	96.5	Very high	63 Å²	63	72 Å²	72	32%	0.323	38%	0.377	S	S	.	.	S	Bend	trans	-80.9	-8.8	176	63.4	173.2	0	0	0	113.2	L55 A57 K92 D117	L55-I59 HydrophobicContact CD1-CD1 4.04Å; L55-I59 HydrophobicContact CD1-CG1 4.26Å; L55-I59 HydrophobicContact CD1-CG2 4.02Å; A57-I59 PolarHBondContact O-N 2.9Å; I59-K92 PolarHBondContact O-NZ 3.08Å; I59-D117 HydrophobicContact CD1-CB 4.08Å; I59-D117 HydrophobicContact CG1-CB 4.3Å; I59-D117 WeakPolarHBondContact CG1-OD2 3.46Å
60	T	98.2	Very high	96.4	Very high	3 Å²	3	72.6 Å²	72.6	2%	0.018	38%	0.38	C	S	.	.			trans	-123.6	135.3	172.9	-59.7	0	0	0	0	108.6	G46 P58 L72 F90 K92 D117	G46-T60 WeakPolarHBondContact CA-O 3.35Å; P58-T60 VanDerWaalsContact C-N 3.28Å; T60-L72 HydrophobicContact CG2-CD1 3.68Å; T60-F90 HydrophobicContact CG2-CE2 3.83Å; T60-F90 HydrophobicContact CG2-CZ 4.14Å; T60-K92 HydrophobicContact CG2-CD 4.22Å; T60-K92 WeakPolarHBondContact OG1-CD 3.47Å; T60-K92 PolarHBondContact OG1-NZ 2.88Å; T60-D117 WeakPolarHBondContact CB-OD2 3.49Å; T60-D117 WeakPolarHBondContact OG1-CB 3.33Å; T60-D117 PolarHBondContact OG1-OD2 3.4Å
61	S	97.9	Very high	96.4	Very high	19 Å²	19	75.4 Å²	75.4	13%	0.133	39%	0.392	C	S	.	.			trans	-158.8	162.5	170.8	72.7	0	0	0	0	108.2	D43 S63 K64 L65	D43-S61 VanDerWaalsContact OD1-CA 3.24Å; D43-S61 WeakPolarHBondContact OD1-CA 3.45Å; D43-S61 WeakPolarHBondContact OD1-CB 3.26Å; S61-S63 PolarHBondContact O-N 3.41Å; S61-K64 PolarHBondContact O-N 2.89Å; S61-K64 WeakPolarHBondContact OG-CB 3.31Å; S61-K64 VanDerWaalsContact OG-CG 3.3Å; S61-K64 WeakPolarHBondContact OG-CG 3.48Å; S61-K64 PolarHBondContact OG-N 3.18Å; S61-L65 PolarHBondContact O-N 3.18Å
62	A	96.9	Very high	96.4	Very high	2 Å²	2	66.8 Å²	66.8	2%	0.017	36%	0.355	C	S	.	.	H	α-helix	trans	-56.1	-49.5	177.7	0	0	0	0	0	111.4	L22 A39 L42 D43 K64 L65 Q66	L22-A62 HydrophobicContact CD1-CB 4.07Å; A39-A62 HydrophobicContact CB-CB 3.45Å; A39-A62 VanDerWaalsContact CB-CB 3.45Å; L42-A62 HydrophobicContact CB-CB 4.32Å; L42-A62 HydrophobicContact CD1-CB 4.43Å; D43-A62 PolarHBondContact OD1-N 2.93Å; A62-K64 VanDerWaalsContact C-N 3.33Å; A62-K64 PolarHBondContact O-N 3.39Å; A62-L65 PolarHBondContact O-N 2.91Å; A62-L65 VanDerWaalsContact O-N 3.16Å; A62-Q66 WeakPolarHBondContact O-CG 3.26Å; A62-Q66 PolarHBondContact O-N 3.33Å
63	S	96.1	Very high	96.5	Very high	59 Å²	59	64.9 Å²	64.9	41%	0.413	34%	0.339	S	S	.	.	H	α-helix	trans	-61.3	-39.9	177.6	-38.1	0	0	0	0	112.2	S61 L65 Q66 F67	S61-S63 PolarHBondContact O-N 3.41Å; S63-L65 VanDerWaalsContact C-N 3.33Å; S63-L65 PolarHBondContact O-N 3.18Å; S63-Q66 PolarHBondContact O-N 3.25Å; S63-F67 WeakPolarHBondContact O-CD2 3.36Å; S63-F67 PolarHBondContact O-N 2.74Å; S63-F67 VanDerWaalsContact O-N 3.09Å
64	K	96.6	Very high	96.5	Very high	84 Å²	84	61.7 Å²	61.7	37%	0.365	32%	0.324	S	S	.	.	H	α-helix	trans	-64.8	-38.2	176.9	-75.3	175.9	-178	-175.6	0	111.6	P58 S61 A62 Q68	P58-K64 PolarHBondContact O-NZ 3.21Å; S61-K64 PolarHBondContact O-N 2.89Å; S61-K64 WeakPolarHBondContact OG-CB 3.31Å; S61-K64 VanDerWaalsContact OG-CG 3.3Å; S61-K64 WeakPolarHBondContact OG-CG 3.48Å; S61-K64 PolarHBondContact OG-N 3.18Å; A62-K64 VanDerWaalsContact C-N 3.33Å; A62-K64 PolarHBondContact O-N 3.39Å; K64-Q68 VanDerWaalsContact O-CB 3.23Å; K64-Q68 WeakPolarHBondContact O-CB 3.41Å; K64-Q68 VanDerWaalsContact O-CG 3.23Å; K64-Q68 WeakPolarHBondContact O-CG 3.49Å; K64-Q68 PolarHBondContact O-N 3.44Å; K64-Q68 VanDerWaalsContact O-N 3.13Å
65	L	96.3	Very high	96.6	Very high	3 Å²	3	54.4 Å²	54.4	2%	0.016	29%	0.285	C	S	.	.	H	α-helix	trans	-69.3	-33	175.1	-175.2	60	0	0	0	112.3	L18 Q20 L22 L42 S61 A62 S63 H70 L72	L18-L65 HydrophobicContact CB-CD2 4.13Å; Q20-L65 WeakPolarHBondContact CA-O 3.33Å; L22-L65 HydrophobicContact CD2-CB 4.46Å; L22-L65 HydrophobicContact CD2-CD2 3.86Å; L22-L65 HydrophobicContact CD2-CG 4.27Å; L42-L65 HydrophobicContact CD1-CD2 3.75Å; S61-L65 PolarHBondContact O-N 3.18Å; A62-L65 PolarHBondContact O-N 2.91Å; A62-L65 VanDerWaalsContact O-N 3.16Å; S63-L65 VanDerWaalsContact C-N 3.33Å; S63-L65 PolarHBondContact O-N 3.18Å; L65-H70 HydrophobicContact CD1-CB 3.85Å; L65-L72 HydrophobicContact CD1-CB 4.5Å; L65-L72 HydrophobicContact CD2-CB 4.01Å; L65-L72 HydrophobicContact CD2-CD1 4.37Å
66	Q	94.8	Very high	96.6	Very high	97 Å²	97	52.7 Å²	52.7	45%	0.453	28%	0.275	S	S	.	.	H	α-helix	trans	-68.1	-39	174.7	-69.9	174.6	-55.6	0	0	113.1	L22 A62 S63	L22-Q66 HydrophobicContact CD1-CG 3.83Å; L22-Q66 HydrophobicContact CD2-CG 4.32Å; L22-Q66 HydrophobicContact CG-CG 3.87Å; A62-Q66 WeakPolarHBondContact O-CG 3.26Å; A62-Q66 PolarHBondContact O-N 3.33Å; S63-Q66 PolarHBondContact O-N 3.25Å
67	F	93.7	Very high	96.5	Very high	184 Å²	184	47.3 Å²	47.3	81%	0.807	24%	0.239	S	C	*	.	H	α-helix	trans	-83.6	-14.1	179.3	-68.8	-60.6	0	0	0	114.6	S63	S63-F67 WeakPolarHBondContact O-CD2 3.36Å; S63-F67 PolarHBondContact O-N 2.74Å; S63-F67 VanDerWaalsContact O-N 3.09Å
68	Q	93.1	Very high	96.2	Very high	75 Å²	75	45.6 Å²	45.6	35%	0.35	23%	0.227	S	C	.	.	S	Bend	trans	-119.8	134.2	-173.5	-60.2	178.9	-2.4	0	0	110.4	K64 H70	K64-Q68 VanDerWaalsContact O-CB 3.23Å; K64-Q68 WeakPolarHBondContact O-CB 3.41Å; K64-Q68 VanDerWaalsContact O-CG 3.23Å; K64-Q68 WeakPolarHBondContact O-CG 3.49Å; K64-Q68 PolarHBondContact O-N 3.44Å; K64-Q68 VanDerWaalsContact O-N 3.13Å; Q68-H70 PolarHBondContact O-N 3.47Å; Q68-H70 PolarHBondContact OE1-CE1 3.43Å; Q68-H70 PolarHBondContact OE1-ND1 2.85Å
69	K	91.1	Very high	95.8	Very high	183 Å²	183	52 Å²	52	80%	0.796	25%	0.253	S	S	*	.			trans	-73.8	60.9	177.2	-65.8	-175.6	177.6	-178.4	0	111.8
70	H	96.8	Very high	95.4	Very high	13 Å²	13	51.4 Å²	51.4	6%	0.06	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	160.9	176.8	-63.9	172.8	0	0	0	109.6	L65 Q68 K92 V93 K96 L116	L65-H70 HydrophobicContact CD1-CB 3.85Å; Q68-H70 PolarHBondContact O-N 3.47Å; Q68-H70 PolarHBondContact OE1-CE1 3.43Å; Q68-H70 PolarHBondContact OE1-ND1 2.85Å; H70-K92 HydrophobicContact CB-CG 4.35Å; H70-V93 CarbonylContact C-O 3.59Å; H70-V93 VanDerWaalsContact CA-O 3.28Å; H70-V93 WeakPolarHBondContact CA-O 3.34Å; H70-V93 VanDerWaalsContact CB-O 3.3Å; H70-V93 WeakPolarHBondContact CB-O 3.39Å; H70-K96 PolarHBondContact NE2-NZ 2.97Å; H70-L116 VanDerWaalsContact CE1-CD1 3.43Å; H70-L116 WeakPolarHBondContact CE1-CD1 3.42Å; H70-L116 WeakPolarHBondContact NE2-CD1 3.36Å
71	Q	97.3	Very high	94.8	Very high	64 Å²	64	52.4 Å²	52.4	30%	0.299	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	143.3	169	-65.7	-179.4	29.2	0	0	108.5	L18 Y73 K92 V93	L18-Q71 CarbonylContact O-C 3.52Å; L18-Q71 WeakPolarHBondContact O-CA 3.45Å; Q71-Y73 HydrophobicContact CB-CE2 4.45Å; Q71-Y73 PolarHBondContact OE1-OH 3.32Å; Q71-K92 WeakPolarHBondContact O-CA 3.44Å; Q71-V93 HydrophobicContact CB-CG2 4.19Å; Q71-V93 PolarHBondContact N-O 3.35Å; Q71-V93 PolarHBondContact O-N 2.65Å
72	L	98.2	Very high	94.3	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	116.5	-178.5	-172.9	156.6	0	0	0	109.3	L18 L42 T60 L65 L74 F90 L91 K92	L18-L72 HydrophobicContact CB-CB 4.42Å; L18-L72 HydrophobicContact CD1-CD2 4.33Å; L18-L72 PolarHBondContact N-O 3.04Å; L18-L72 PolarHBondContact O-N 3.36Å; L42-L72 HydrophobicContact CD2-CD1 3.7Å; L42-L72 HydrophobicContact CD2-CD2 3.72Å; L42-L72 HydrophobicContact CD2-CG 4.36Å; T60-L72 HydrophobicContact CG2-CD1 3.68Å; L65-L72 HydrophobicContact CD1-CB 4.5Å; L65-L72 HydrophobicContact CD2-CB 4.01Å; L65-L72 HydrophobicContact CD2-CD1 4.37Å; L72-L74 HydrophobicContact CD2-CB 3.95Å; L72-F90 HydrophobicContact CD1-CD2 3.67Å; L72-F90 HydrophobicContact CD1-CE2 4.12Å; L72-F90 HydrophobicContact CD1-CG 4.37Å; L72-F90 HydrophobicContact CD2-CB 3.71Å; L72-F90 HydrophobicContact CD2-CD2 4.19Å; L72-F90 HydrophobicContact CD2-CG 4.25Å; L72-F90 HydrophobicContact CG-CB 4.23Å; L72-F90 HydrophobicContact CG-CD2 3.81Å; L72-F90 HydrophobicContact CG-CG 4.38Å; L72-L91 WeakPolarHBondContact CA-O 3.46Å; L72-K92 HydrophobicContact CD1-CB 4.38Å; L72-K92 HydrophobicContact CG-CB 4.43Å
73	Y	98.5	Very high	93.9	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	112.3	174.7	-58.6	-87.1	0	0	0	108.1	I15 I17 Q71 F90 L91 V93 F136 M137 H140 Q141	I15-Y73 HydrophobicContact CG2-CD1 4.46Å; I17-Y73 HydrophobicContact CB-CE1 4.48Å; I17-Y73 HydrophobicContact CD1-CD1 4.35Å; I17-Y73 HydrophobicContact CD1-CE1 3.8Å; I17-Y73 HydrophobicContact CG1-CD1 3.88Å; I17-Y73 HydrophobicContact CG1-CE1 3.8Å; I17-Y73 HydrophobicContact CG2-CD1 4.4Å; I17-Y73 HydrophobicContact CG2-CE1 4.01Å; Q71-Y73 HydrophobicContact CB-CE2 4.45Å; Q71-Y73 PolarHBondContact OE1-OH 3.32Å; Y73-F90 CarbonylContact O-C 3.48Å; Y73-F90 WeakPolarHBondContact O-CA 3.25Å; Y73-F90 WeakPolarHBondContact O-CB 3.37Å; Y73-L91 PolarHBondContact N-O 2.96Å; Y73-L91 PolarHBondContact O-N 3.26Å; Y73-V93 HydrophobicContact CE2-CG2 3.81Å; Y73-F136 AromaticContact CD1-CD1 3.69Å; Y73-F136 HydrophobicContact CD1-CD1 3.69Å; Y73-F136 AromaticContact CD1-CE1 3.76Å; Y73-F136 HydrophobicContact CD1-CE1 3.76Å; Y73-F136 HydrophobicContact CE1-CD1 4.06Å; Y73-F136 AromaticContact CE1-CE1 3.98Å; Y73-F136 HydrophobicContact CE1-CE1 3.98Å; Y73-M137 HydrophobicContact CD2-CB 3.85Å; Y73-M137 HydrophobicContact CD2-CG 3.74Å; Y73-M137 HydrophobicContact CE2-CB 3.83Å; Y73-M137 HydrophobicContact CE2-CG 3.39Å; Y73-M137 HydrophobicContact CG-CB 4.27Å; Y73-H140 HydrophobicContact CE1-CB 4.19Å; Y73-H140 AromaticContact CZ-ND1 3.93Å; Y73-H140 PolarHBondContact OH-ND1 2.83Å; Y73-Q141 PolarHBondContact OH-NE2 2.84Å
74	L	98.2	Very high	93.6	Very high	1 Å²	1	67.6 Å²	67.6	1%	0.005	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	125.6	179.8	-177.2	151.1	0	0	0	109.3	F11 I15 S16 L18 V41 L42 L45 L72 V87	F11-L74 HydrophobicContact CD1-CD2 4.04Å; F11-L74 HydrophobicContact CD2-CD2 3.97Å; F11-L74 HydrophobicContact CE1-CD1 4Å; F11-L74 HydrophobicContact CE1-CD2 4.11Å; F11-L74 HydrophobicContact CE2-CD1 4.19Å; F11-L74 HydrophobicContact CE2-CD2 4.03Å; F11-L74 HydrophobicContact CG-CD2 3.98Å; F11-L74 HydrophobicContact CZ-CD1 3.69Å; F11-L74 HydrophobicContact CZ-CD2 4.1Å; I15-L74 CarbonylContact C-O 3.55Å; I15-L74 WeakPolarHBondContact CA-O 3.44Å; S16-L74 PolarHBondContact N-O 3.24Å; S16-L74 PolarHBondContact O-N 3.21Å; L18-L74 HydrophobicContact CD1-CD1 4.31Å; V41-L74 HydrophobicContact CG1-CD1 3.84Å; L42-L74 HydrophobicContact CD2-CD1 4.32Å; L45-L74 HydrophobicContact CD1-CD1 3.68Å; L45-L74 HydrophobicContact CD1-CG 4.29Å; L72-L74 HydrophobicContact CD2-CB 3.95Å; L74-V87 HydrophobicContact CD1-CG1 4.33Å; L74-V87 HydrophobicContact CD2-CG1 4.02Å; L74-V87 HydrophobicContact CG-CG1 4.11Å
75	M	97.9	Very high	93.4	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	132.8	176.9	-177.8	178.1	-83.9	0	0	111	R14 I15 V88 G89 Y129 E132 L133	R14-M75 WeakPolarHBondContact O-CA 3.13Å; I15-M75 HydrophobicContact CD1-CE 3.69Å; I15-M75 HydrophobicContact CG1-CB 4.47Å; I15-M75 HydrophobicContact CG1-CE 3.81Å; I15-M75 HydrophobicContact CG1-CG 4.39Å; M75-V88 HydrophobicContact CB-CB 4.23Å; M75-V88 HydrophobicContact CG-CB 3.94Å; M75-V88 HydrophobicContact CG-CG1 4.29Å; M75-V88 HydrophobicContact CG-CG2 4.31Å; M75-V88 PolarHBondContact O-N 2.93Å; M75-V88 HydrophobicContact SD-CB 4.18Å; M75-V88 HydrophobicContact SD-CG1 3.86Å; M75-G89 PolarHBondContact N-O 3.05Å; M75-Y129 HydrophobicContact SD-CD1 3.67Å; M75-Y129 HydrophobicContact SD-CG 4.11Å; M75-E132 HydrophobicContact CE-CB 4.01Å; M75-E132 HydrophobicContact CE-CG 3.82Å; M75-E132 WeakPolarHBondContact CE-OE1 3.34Å; M75-L133 HydrophobicContact CB-CD1 4.25Å; M75-L133 HydrophobicContact CB-CD2 4.29Å; M75-L133 HydrophobicContact CE-CB 3.9Å; M75-L133 HydrophobicContact CE-CD1 4.43Å
76	K	96.4	Very high	93.4	Very high	17 Å²	17	64.5 Å²	64.5	7%	0.074	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	151.9	165.3	69.6	166.4	173	76.5	0	111.7	I7 N8 F11 S12 E13 R14 V86	I7-K76 HydrophobicContact CG2-CB 4.09Å; I7-K76 HydrophobicContact CG2-CD 4.06Å; N8-K76 WeakPolarHBondContact OD1-CD 3.45Å; N8-K76 WeakPolarHBondContact OD1-CE 3.4Å; N8-K76 PolarHBondContact OD1-NZ 3Å; F11-K76 HydrophobicContact CB-CD 4.18Å; F11-K76 WeakPolarHBondContact O-CE 3.31Å; S12-K76 VanDerWaalsContact O-CE 3.23Å; S12-K76 WeakPolarHBondContact O-CE 3.43Å; S12-K76 PolarHBondContact O-NZ 2.92Å; E13-K76 VanDerWaalsContact O-CE 3.3Å; E13-K76 WeakPolarHBondContact O-CE 3.18Å; R14-K76 PolarHBondContact O-N 2.78Å; K76-V86 WeakPolarHBondContact CA-O 3.18Å
77	D	95.4	Very high	93.5	Very high	29 Å²	29	59.9 Å²	59.9	16%	0.155	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	132	150.8	175	12.8	0	0	0	107.2	E79 S80 G85 V86 V88	D77-E79 PolarHBondContact OD1-N 2.91Å; D77-E79 VanDerWaalsContact OD1-N 3.07Å; D77-S80 WeakPolarHBondContact OD2-CB 3.44Å; D77-S80 PolarHBondContact OD2-OG 2.73Å; D77-G85 CarbonylContact O-C 3.58Å; D77-G85 WeakPolarHBondContact O-CA 3.44Å; D77-V86 PolarHBondContact N-O 3.32Å; D77-V86 PolarHBondContact O-N 2.85Å; D77-V88 HydrophobicContact CB-CG2 3.97Å
78	G	91.4	Very high	93.7	Very high	20 Å²	20	51.2 Å²	51.2	21%	0.206	25%	0.249	C	C	.	.	S	Bend	trans	-90.8	-25.6	-178	0	0	0	0	0	114.1	N8	N8-G78 PolarHBondContact ND2-O 2.82Å; N8-G78 WeakPolarHBondContact OD1-CA 3.49Å
79	E	90.1	Very high	93.9	Very high	176 Å²	176	47.6 Å²	47.6	82%	0.822	23%	0.232	S	C	*	.	S	Bend	trans	-86.8	-32.8	-170.5	-66.4	170.2	-156.4	0	0	111.5	D77 G83	D77-E79 PolarHBondContact OD1-N 2.91Å; D77-E79 VanDerWaalsContact OD1-N 3.07Å; E79-G83 PolarHBondContact O-N 2.82Å; E79-G83 VanDerWaalsContact O-N 3.12Å
80	S	88.4	Confident	94.3	Very high	50 Å²	50	39 Å²	39	35%	0.35	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	163.5	176.2	-79.7	0	0	0	0	114.9	D77 R82 G83 G85 V86	D77-S80 WeakPolarHBondContact OD2-CB 3.44Å; D77-S80 PolarHBondContact OD2-OG 2.73Å; S80-R82 PolarHBondContact O-N 3.11Å; S80-G83 PolarHBondContact O-N 2.85Å; S80-G85 WeakPolarHBondContact O-CA 3.13Å; S80-G85 PolarHBondContact O-N 2.84Å; S80-V86 VanDerWaalsContact CB-CG2 3.44Å
81	S	86.1	Confident	94.4	Very high	24 Å²	24	38.3 Å²	38.3	17%	0.168	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	55	43.9	-177.4	-151.5	0	0	0	0	114.3	E2 R84	E2-S81 WeakPolarHBondContact OE1-CB 3.37Å; E2-S81 PolarHBondContact OE1-OG 2.74Å; S81-R84 WeakPolarHBondContact O-CB 3.03Å; S81-R84 WeakPolarHBondContact O-CG 3.34Å; S81-R84 PolarHBondContact O-N 2.99Å; S81-R84 PolarHBondContact O-NE 2.73Å; S81-R84 VanDerWaalsContact O-NE 3.15Å; S81-R84 PolarHBondContact OG-NH2 2.97Å
82	R	87.4	Confident	94.4	Very high	249 Å²	249	35.8 Å²	35.8	94%	0.94	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.3	45.3	-178.2	-52.4	-179.2	-178.5	-175.4	-0.4	112.4	S80 R84	S80-R82 PolarHBondContact O-N 3.11Å; R82-R84 VanDerWaalsContact C-N 3.26Å; R82-R84 PolarHBondContact O-N 3.5Å
83	G	87.8	Confident	94.4	Very high	42 Å²	42	35.8 Å²	35.8	43%	0.433	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.3	6.7	179.8	0	0	0	0	0	115.5	N8 E79 S80 G85	N8-G83 PolarHBondContact ND2-O 2.89Å; E79-G83 PolarHBondContact O-N 2.82Å; E79-G83 VanDerWaalsContact O-N 3.12Å; S80-G83 PolarHBondContact O-N 2.85Å; G83-G85 VanDerWaalsContact C-N 3.33Å
84	R	90	Very high	94.4	Very high	109 Å²	109	35.9 Å²	35.9	41%	0.411	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-10.1	172.3	-57.7	-177.8	-57.7	157.6	9.5	113	I7 N8 S81 R82	I7-R84 WeakPolarHBondContact CB-O 3.23Å; I7-R84 PolarHBondContact N-O 2.72Å; N8-R84 PolarHBondContact N-O 3Å; S81-R84 WeakPolarHBondContact O-CB 3.03Å; S81-R84 WeakPolarHBondContact O-CG 3.34Å; S81-R84 PolarHBondContact O-N 2.99Å; S81-R84 PolarHBondContact O-NE 2.73Å; S81-R84 VanDerWaalsContact O-NE 3.15Å; S81-R84 PolarHBondContact OG-NH2 2.97Å; R82-R84 VanDerWaalsContact C-N 3.26Å; R82-R84 PolarHBondContact O-N 3.5Å
85	G	93.1	Very high	94.4	Very high	3 Å²	3	41.7 Å²	41.7	3%	0.031	20%	0.203	C	C	.	.			trans	77.2	158.7	-178.9	0	0	0	0	0	114.1	N8 D77 S80 G83	N8-G85 PolarHBondContact ND2-N 2.84Å; D77-G85 CarbonylContact O-C 3.58Å; D77-G85 WeakPolarHBondContact O-CA 3.44Å; S80-G85 WeakPolarHBondContact O-CA 3.13Å; S80-G85 PolarHBondContact O-N 2.84Å; G83-G85 VanDerWaalsContact C-N 3.33Å
86	V	95.3	Very high	94.4	Very high	18 Å²	18	44.8 Å²	44.8	11%	0.109	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	133.9	-179	175.9	0	0	0	0	108.9	M1 E2 K76 D77 S80 V88	M1-V86 WeakPolarHBondContact O-CG1 3.41Å; E2-V86 HydrophobicContact CG-CG2 4.16Å; K76-V86 WeakPolarHBondContact CA-O 3.18Å; D77-V86 PolarHBondContact N-O 3.32Å; D77-V86 PolarHBondContact O-N 2.85Å; S80-V86 VanDerWaalsContact CB-CG2 3.44Å; V86-V88 PolarHBondContact O-N 3.37Å
87	V	97	Very high	94.4	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	124.8	178.3	-171.6	0	0	0	0	109.6	M1 F3 I7 V41 L45 L74	M1-V87 PolarHBondContact N-O 2.98Å; M1-V87 PolarHBondContact O-N 3.17Å; F3-V87 HydrophobicContact CD2-CG2 4.12Å; F3-V87 HydrophobicContact CE2-CB 4.24Å; F3-V87 HydrophobicContact CE2-CG2 3.79Å; I7-V87 HydrophobicContact CD1-CG2 3.92Å; I7-V87 HydrophobicContact CG1-CG2 4.15Å; I7-V87 HydrophobicContact CG2-CG2 3.82Å; V41-V87 HydrophobicContact CG1-CG1 4.5Å; V41-V87 HydrophobicContact CG1-CG2 4.02Å; L45-V87 HydrophobicContact CD1-CG1 3.95Å; L45-V87 HydrophobicContact CD2-CG1 3.92Å; L45-V87 HydrophobicContact CG-CG1 4.3Å; L74-V87 HydrophobicContact CD1-CG1 4.33Å; L74-V87 HydrophobicContact CD2-CG1 4.02Å; L74-V87 HydrophobicContact CG-CG1 4.11Å
88	V	97.7	Very high	94.4	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.012	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	-40	-175.1	173.4	0	0	0	0	111.2	M75 D77 V86 I120 A121 L124 Y129	M75-V88 HydrophobicContact CB-CB 4.23Å; M75-V88 HydrophobicContact CG-CB 3.94Å; M75-V88 HydrophobicContact CG-CG1 4.29Å; M75-V88 HydrophobicContact CG-CG2 4.31Å; M75-V88 PolarHBondContact O-N 2.93Å; M75-V88 HydrophobicContact SD-CB 4.18Å; M75-V88 HydrophobicContact SD-CG1 3.86Å; D77-V88 HydrophobicContact CB-CG2 3.97Å; V86-V88 PolarHBondContact O-N 3.37Å; V88-I120 HydrophobicContact CG1-CG2 4.22Å; V88-A121 PolarHBondContact O-N 3.37Å; V88-L124 HydrophobicContact CB-CD1 4.2Å; V88-L124 HydrophobicContact CG1-CD1 3.91Å; V88-L124 HydrophobicContact CG2-CD1 3.99Å; V88-Y129 HydrophobicContact CG1-CD1 3.99Å; V88-Y129 HydrophobicContact CG1-CD2 3.95Å; V88-Y129 HydrophobicContact CG1-CG 3.66Å
89	G	98.1	Very high	94.6	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	165	-170.7	-177.1	0	0	0	0	0	112.9	M75 Y119	M75-G89 PolarHBondContact N-O 3.05Å; G89-Y119 CarbonylContact C-O 3.5Å; G89-Y119 WeakPolarHBondContact CA-O 3.47Å
90	F	98.6	Very high	94.9	Very high	1 Å²	1	46 Å²	46	0%	0.004	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	161.2	179.2	73.5	-79.6	0	0	0	113.8	L45 T60 L72 Y73 K92 D117 F118 Y119	L45-F90 HydrophobicContact CB-CD1 3.8Å; L45-F90 HydrophobicContact CB-CE1 3.78Å; L45-F90 HydrophobicContact CD1-CB 4.31Å; L45-F90 HydrophobicContact CD1-CD1 3.91Å; L45-F90 HydrophobicContact CD1-CG 4.37Å; L45-F90 HydrophobicContact CD2-CD1 4.15Å; L45-F90 HydrophobicContact CG-CD1 4.19Å; T60-F90 HydrophobicContact CG2-CE2 3.83Å; T60-F90 HydrophobicContact CG2-CZ 4.14Å; L72-F90 HydrophobicContact CD1-CD2 3.67Å; L72-F90 HydrophobicContact CD1-CE2 4.12Å; L72-F90 HydrophobicContact CD1-CG 4.37Å; L72-F90 HydrophobicContact CD2-CB 3.71Å; L72-F90 HydrophobicContact CD2-CD2 4.19Å; L72-F90 HydrophobicContact CD2-CG 4.25Å; L72-F90 HydrophobicContact CG-CB 4.23Å; L72-F90 HydrophobicContact CG-CD2 3.81Å; L72-F90 HydrophobicContact CG-CG 4.38Å; Y73-F90 CarbonylContact O-C 3.48Å; Y73-F90 WeakPolarHBondContact O-CA 3.25Å; Y73-F90 WeakPolarHBondContact O-CB 3.37Å; F90-K92 HydrophobicContact CD2-CB 4.35Å; F90-K92 HydrophobicContact CE2-CB 4.26Å; F90-D117 HydrophobicContact CE2-CB 3.9Å; F90-D117 HydrophobicContact CZ-CB 4.35Å; F90-D117 WeakPolarHBondContact CZ-OD2 3.33Å; F90-F118 WeakPolarHBondContact O-CD2 3.4Å; F90-Y119 HydrophobicContact CD1-CD1 4.18Å; F90-Y119 AromaticContact CE1-CD1 3.97Å; F90-Y119 HydrophobicContact CE1-CD1 3.97Å; F90-Y119 HydrophobicContact CE1-CG 4.25Å; F90-Y119 PolarHBondContact N-O 3.45Å; F90-Y119 PolarHBondContact O-N 3.1Å
91	L	98.8	Very high	95.2	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	117.1	173.3	170.4	57.2	0	0	0	108.8	L72 Y73 V93 V115 F118 L133 F134 M137	L72-L91 WeakPolarHBondContact CA-O 3.46Å; Y73-L91 PolarHBondContact N-O 2.96Å; Y73-L91 PolarHBondContact O-N 3.26Å; L91-V93 HydrophobicContact CD1-CG1 4.28Å; L91-V93 HydrophobicContact CG-CG1 4.27Å; L91-V115 HydrophobicContact CD1-CG1 3.85Å; L91-F118 HydrophobicContact CB-CD2 3.8Å; L91-F118 HydrophobicContact CB-CE2 4.23Å; L91-F118 HydrophobicContact CD1-CB 3.89Å; L91-F118 HydrophobicContact CD1-CD2 3.79Å; L91-F118 HydrophobicContact CD1-CG 3.93Å; L91-F118 HydrophobicContact CG-CD2 4.27Å; L91-L133 HydrophobicContact CB-CD2 3.92Å; L91-L133 HydrophobicContact CB-CG 3.97Å; L91-F134 HydrophobicContact CD1-CD2 4.43Å; L91-F134 HydrophobicContact CD2-CB 4.26Å; L91-F134 HydrophobicContact CD2-CD2 3.86Å; L91-F134 HydrophobicContact CD2-CG 4.17Å; L91-M137 HydrophobicContact CD2-CB 3.66Å; L91-M137 HydrophobicContact CD2-CE 3.97Å; L91-M137 HydrophobicContact CD2-CG 3.9Å; L91-M137 HydrophobicContact CG-CG 4.5Å
92	K	98.6	Very high	95.4	Very high	10 Å²	10	44.9 Å²	44.9	4%	0.043	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	127.1	178.1	-173.8	-171.2	72.2	-156.4	0	110.2	I59 T60 H70 Q71 L72 F90 L116 D117	I59-K92 PolarHBondContact O-NZ 3.08Å; T60-K92 HydrophobicContact CG2-CD 4.22Å; T60-K92 WeakPolarHBondContact OG1-CD 3.47Å; T60-K92 PolarHBondContact OG1-NZ 2.88Å; H70-K92 HydrophobicContact CB-CG 4.35Å; Q71-K92 WeakPolarHBondContact O-CA 3.44Å; L72-K92 HydrophobicContact CD1-CB 4.38Å; L72-K92 HydrophobicContact CG-CB 4.43Å; F90-K92 HydrophobicContact CD2-CB 4.35Å; F90-K92 HydrophobicContact CE2-CB 4.26Å; K92-L116 VanDerWaalsContact CE-CB 3.41Å; K92-L116 WeakPolarHBondContact CE-O 3.41Å; K92-L116 PolarHBondContact NZ-O 2.98Å; K92-L116 PolarHBondContact O-N 3.27Å; K92-D117 HydrophobicContact CB-CB 3.96Å; K92-D117 HydrophobicContact CD-CB 4.42Å; K92-D117 PolarHBondContact N-O 2.9Å; K92-D117 PolarHBondContact O-N 3.48Å
93	V	98.6	Very high	95.5	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	159.2	176.8	-57.2	0	0	0	0	111.6	H70 Q71 Y73 L91 L113 C114 V115 M137	H70-V93 CarbonylContact C-O 3.59Å; H70-V93 VanDerWaalsContact CA-O 3.28Å; H70-V93 WeakPolarHBondContact CA-O 3.34Å; H70-V93 VanDerWaalsContact CB-O 3.3Å; H70-V93 WeakPolarHBondContact CB-O 3.39Å; Q71-V93 HydrophobicContact CB-CG2 4.19Å; Q71-V93 PolarHBondContact N-O 3.35Å; Q71-V93 PolarHBondContact O-N 2.65Å; Y73-V93 HydrophobicContact CE2-CG2 3.81Å; L91-V93 HydrophobicContact CD1-CG1 4.28Å; L91-V93 HydrophobicContact CG-CG1 4.27Å; V93-L113 HydrophobicContact CB-CD1 4.07Å; V93-L113 HydrophobicContact CB-CG 4.33Å; V93-L113 HydrophobicContact CG2-CD1 4.06Å; V93-L113 HydrophobicContact CG2-CD2 4.47Å; V93-C114 CarbonylContact C-O 3.48Å; V93-C114 WeakPolarHBondContact CA-O 3.42Å; V93-C114 WeakPolarHBondContact CB-O 3.39Å; V93-V115 HydrophobicContact CG1-CG2 4.42Å; V93-M137 HydrophobicContact CG1-CE 4.47Å; V93-M137 HydrophobicContact CG1-CG 3.92Å; V93-M137 HydrophobicContact CG1-SD 4.09Å; V93-M137 HydrophobicContact CG2-CG 4.49Å
94	G	98	Very high	95.7	Very high	2 Å²	2	43.5 Å²	43.5	2%	0.021	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.7	153.8	173.1	0	0	0	0	0	112.3	C114	G94-C114 PolarHBondContact N-O 3.11Å; G94-C114 WeakPolarHBondContact O-CB 3.35Å; G94-C114 PolarHBondContact O-N 3.38Å
95	Y	97.6	Very high	95.7	Very high	124 Å²	124	40.5 Å²	40.5	49%	0.486	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	141.5	175.7	-69.2	-88.1	0	0	0	110.6	P112 L113	Y95-P112 WeakPolarHBondContact CA-O 3.39Å; Y95-L113 HydrophobicContact CD1-CB 4.3Å; Y95-L113 HydrophobicContact CD2-CD1 3.98Å; Y95-L113 HydrophobicContact CE1-CB 3.88Å; Y95-L113 HydrophobicContact CE1-CD1 4.49Å; Y95-L113 HydrophobicContact CE2-CD1 3.77Å; Y95-L113 HydrophobicContact CG-CD1 4.42Å
96	K	97.2	Very high	95.7	Very high	64 Å²	64	44.3 Å²	44.3	28%	0.278	22%	0.218	S	C	.	.			trans	-139	132.9	175.5	-63	-68.3	178.9	174.1	0	109.5	H70 L98 E111 P112 C114 L116 F177	H70-K96 PolarHBondContact NE2-NZ 2.97Å; K96-L98 HydrophobicContact CB-CD2 4.09Å; K96-L98 HydrophobicContact CB-CG 4.05Å; K96-L98 PolarHBondContact O-N 3.27Å; K96-E111 WeakPolarHBondContact O-CA 3.32Å; K96-P112 PolarHBondContact N-O 3.44Å; K96-P112 WeakPolarHBondContact O-CD 3.44Å; K96-C114 HydrophobicContact CG-CB 4.15Å; K96-L116 HydrophobicContact CG-CD2 4.11Å; K96-F177 HydrophobicContact CG-CZ 4.38Å
97	K	96.9	Very high	95.6	Very high	133 Å²	133	48.9 Å²	48.9	58%	0.578	24%	0.239	S	C	*	.			trans	-71.4	121.7	163.4	-64	-165.3	170.1	-160.9	0	109.2	V110 E111	K97-V110 WeakPolarHBondContact CA-O 3.29Å; K97-E111 WeakPolarHBondContact CE-OE2 3.37Å; K97-E111 HydrophobicContact CG-CB 4.22Å; K97-E111 VanDerWaalsContact CG-CD 3.47Å; K97-E111 HydrophobicContact CG-CG 4.04Å; K97-E111 WeakPolarHBondContact CG-OE1 3.39Å
98	L	96.6	Very high	95.3	Very high	16 Å²	16	51.8 Å²	51.8	8%	0.084	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	140.5	-177	-60.4	177	0	0	0	109.4	K96 L100 V110 P112 A149 F177	K96-L98 HydrophobicContact CB-CD2 4.09Å; K96-L98 HydrophobicContact CB-CG 4.05Å; K96-L98 PolarHBondContact O-N 3.27Å; L98-L100 HydrophobicContact CB-CD2 3.93Å; L98-L100 HydrophobicContact CB-CG 4.14Å; L98-L100 HydrophobicContact CD1-CD2 4.1Å; L98-V110 HydrophobicContact CB-CG2 4.29Å; L98-V110 PolarHBondContact N-O 3.45Å; L98-V110 WeakPolarHBondContact O-CG2 3.48Å; L98-V110 PolarHBondContact O-N 2.77Å; L98-P112 HydrophobicContact CD1-CG 4.04Å; L98-A149 HydrophobicContact CD1-CB 3.85Å; L98-F177 HydrophobicContact CD1-CB 4.36Å; L98-F177 HydrophobicContact CD1-CD1 3.72Å; L98-F177 HydrophobicContact CD1-CD2 4.35Å; L98-F177 HydrophobicContact CD1-CE1 4.08Å; L98-F177 HydrophobicContact CD1-CG 3.88Å; L98-F177 HydrophobicContact CD2-CD1 4.35Å; L98-F177 HydrophobicContact CD2-CD2 3.72Å; L98-F177 HydrophobicContact CD2-CE1 4.24Å; L98-F177 HydrophobicContact CD2-CE2 3.63Å; L98-F177 HydrophobicContact CD2-CG 4.12Å; L98-F177 HydrophobicContact CD2-CZ 3.91Å
99	F	95.5	Very high	95.2	Very high	120 Å²	120	57.1 Å²	57.1	53%	0.526	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	102.5	163.3	-60.9	-83.1	0	0	0	107.3	E109 N175	F99-E109 HydrophobicContact CD1-CB 3.9Å; F99-E109 HydrophobicContact CD1-CG 4.13Å; F99-E109 HydrophobicContact CE1-CB 3.68Å; F99-E109 HydrophobicContact CE1-CG 3.65Å; F99-E109 HydrophobicContact CZ-CG 4.08Å; F99-N175 PolarHBondContact O-ND2 3.03Å
100	L	95.3	Very high	95.1	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	145.9	179.3	-60.9	-172.8	0	0	0	110.7	L98 H107 I108 V110 Q173 A179 F183 F184	L98-L100 HydrophobicContact CB-CD2 3.93Å; L98-L100 HydrophobicContact CB-CG 4.14Å; L98-L100 HydrophobicContact CD1-CD2 4.1Å; L100-H107 CarbonylContact O-C 3.45Å; L100-H107 WeakPolarHBondContact O-CA 3.39Å; L100-I108 PolarHBondContact N-O 3.46Å; L100-I108 PolarHBondContact O-N 3.3Å; L100-V110 HydrophobicContact CB-CG2 4.38Å; L100-V110 HydrophobicContact CD1-CG2 3.7Å; L100-V110 HydrophobicContact CG-CG2 3.7Å; L100-Q173 VanDerWaalsContact CA-OE1 3.27Å; L100-A179 HydrophobicContact CD1-CB 3.94Å; L100-F183 HydrophobicContact CD1-CD1 4.32Å; L100-F183 HydrophobicContact CD1-CE1 3.7Å; L100-F183 HydrophobicContact CD1-CZ 3.9Å; L100-F184 HydrophobicContact CB-CE1 4.16Å; L100-F184 HydrophobicContact CB-CZ 4.15Å; L100-F184 HydrophobicContact CD1-CZ 4.37Å
101	L	94.3	Very high	95	Very high	24 Å²	24	62 Å²	62	13%	0.126	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	134.5	167.3	-68.7	172.9	0	0	0	109.9	G105 V106 V171 Q173 V174 F184	L101-G105 WeakPolarHBondContact CD2-O 3.43Å; L101-V106 WeakPolarHBondContact CA-O 3.29Å; L101-V171 WeakPolarHBondContact O-CG1 3.23Å; L101-Q173 PolarHBondContact O-NE2 3.04Å; L101-V174 HydrophobicContact CD1-CG1 3.92Å; L101-V174 HydrophobicContact CD1-CG2 4.13Å; L101-F184 WeakPolarHBondContact O-CZ 3.46Å
102	D	91.4	Very high	94.9	Very high	26 Å²	26	62.3 Å²	62.3	14%	0.139	30%	0.303	C	S	.	.			trans	-83.1	-175.5	166.9	85.1	-21	0	0	0	112	N104 G105 V106 I108 F184	D102-N104 PolarHBondContact O-N 3.03Å; D102-N104 WeakPolarHBondContact OD1-CA 3.29Å; D102-N104 WeakPolarHBondContact OD1-CB 3.48Å; D102-N104 PolarHBondContact OD1-N 3.47Å; D102-N104 PolarHBondContact OD2-ND2 3.44Å; D102-G105 PolarHBondContact O-N 3.21Å; D102-G105 PolarHBondContact OD1-N 3.12Å; D102-G105 VanDerWaalsContact OD1-N 3.08Å; D102-V106 PolarHBondContact N-O 3.28Å; D102-V106 WeakPolarHBondContact OD1-CB 3.37Å; D102-V106 PolarHBondContact OD1-N 3.11Å; D102-I108 HydrophobicContact CB-CD1 3.97Å; D102-F184 HydrophobicContact CB-CD1 3.97Å; D102-F184 HydrophobicContact CB-CE1 4.13Å; D102-F184 HydrophobicContact CB-CG 4.45Å
103	R	89.9	Confident	94.9	Very high	126 Å²	126	62.2 Å²	62.2	48%	0.475	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-25.5	177.3	-58	-170.1	-161.8	-114.4	-2.5	113.7	E181 H185	R103-E181 IonicContact CZ-OE1 3.08Å; R103-E181 IonicContact CZ-OE2 3.88Å; R103-E181 IonicContact NH1-OE1 2.72Å; R103-E181 PolarHBondContact NH1-OE1 3.17Å; R103-E181 IonicContact NH1-OE2 3.02Å; R103-E181 PolarHBondContact NH1-OE2 2.95Å; R103-E181 IonicContact NH2-OE1 2.77Å; R103-E181 PolarHBondContact NH2-OE1 3.08Å; R103-H185 PolarHBondContact NE-CE1 3.01Å; R103-H185 VanDerWaalsContact NE-CE1 3.3Å; R103-H185 PolarHBondContact NH2-CE1 2.86Å; R103-H185 PolarHBondContact NH2-NE2 3.25Å
104	N	91	Very high	94.8	Very high	135 Å²	135	62.2 Å²	62.2	72%	0.722	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-3	-174.2	-51.5	-64.6	0	0	0	112.1	D102 V106	D102-N104 PolarHBondContact O-N 3.03Å; D102-N104 WeakPolarHBondContact OD1-CA 3.29Å; D102-N104 WeakPolarHBondContact OD1-CB 3.48Å; D102-N104 PolarHBondContact OD1-N 3.47Å; D102-N104 PolarHBondContact OD2-ND2 3.44Å; N104-V106 HydrophobicContact CB-CG2 4.18Å
105	G	90.4	Very high	94.9	Very high	47 Å²	47	62.3 Å²	62.3	49%	0.485	30%	0.303	S	S	.	.	S	Bend	trans	79.7	14.8	-173.4	0	0	0	0	0	113.9	L101 D102	L101-G105 WeakPolarHBondContact CD2-O 3.43Å; D102-G105 PolarHBondContact O-N 3.21Å; D102-G105 PolarHBondContact OD1-N 3.12Å; D102-G105 VanDerWaalsContact OD1-N 3.08Å
106	V	92.3	Very high	94.9	Very high	82 Å²	82	56.8 Å²	56.8	50%	0.497	28%	0.282	S	S	.	.			trans	-83.3	130	176.8	-179.4	0	0	0	0	109.5	L101 D102 N104	L101-V106 WeakPolarHBondContact CA-O 3.29Å; D102-V106 PolarHBondContact N-O 3.28Å; D102-V106 WeakPolarHBondContact OD1-CB 3.37Å; D102-V106 PolarHBondContact OD1-N 3.11Å; N104-V106 HydrophobicContact CB-CG2 4.18Å
107	H	93.1	Very high	95	Very high	115 Å²	115	54 Å²	54	53%	0.532	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	129.4	172.9	-76.3	-80.6	0	0	0	111.4	L100	L100-H107 CarbonylContact O-C 3.45Å; L100-H107 WeakPolarHBondContact O-CA 3.39Å
108	I	92.4	Very high	95	Very high	60 Å²	60	49.6 Å²	49.6	31%	0.308	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	121.9	177.3	-51.5	179.5	0	0	0	108.5	L100 D102 V110 F184	L100-I108 PolarHBondContact N-O 3.46Å; L100-I108 PolarHBondContact O-N 3.3Å; D102-I108 HydrophobicContact CB-CD1 3.97Å; I108-V110 HydrophobicContact CB-CG1 4.5Å; I108-V110 HydrophobicContact CG2-CG1 3.78Å; I108-F184 HydrophobicContact CD1-CD1 4.04Å; I108-F184 HydrophobicContact CD1-CE1 4.37Å
109	E	94.9	Very high	95.1	Very high	114 Å²	114	49.7 Å²	49.7	53%	0.533	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	125.5	170.1	-168.3	-179	156.5	0	0	110.2	F99	F99-E109 HydrophobicContact CD1-CB 3.9Å; F99-E109 HydrophobicContact CD1-CG 4.13Å; F99-E109 HydrophobicContact CE1-CB 3.68Å; F99-E109 HydrophobicContact CE1-CG 3.65Å; F99-E109 HydrophobicContact CZ-CG 4.08Å
110	V	95.2	Very high	95.3	Very high	4 Å²	4	44.7 Å²	44.7	2%	0.024	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	149.1	-178.7	-63.7	0	0	0	0	111	K97 L98 L100 I108 P112 F183 R187	K97-V110 WeakPolarHBondContact CA-O 3.29Å; L98-V110 HydrophobicContact CB-CG2 4.29Å; L98-V110 PolarHBondContact N-O 3.45Å; L98-V110 WeakPolarHBondContact O-CG2 3.48Å; L98-V110 PolarHBondContact O-N 2.77Å; L100-V110 HydrophobicContact CB-CG2 4.38Å; L100-V110 HydrophobicContact CD1-CG2 3.7Å; L100-V110 HydrophobicContact CG-CG2 3.7Å; I108-V110 HydrophobicContact CB-CG1 4.5Å; I108-V110 HydrophobicContact CG2-CG1 3.78Å; V110-P112 HydrophobicContact CG2-CG 4.25Å; V110-P112 WeakPolarHBondContact O-CD 3.43Å; V110-F183 HydrophobicContact CG1-CE1 4.39Å; V110-F183 HydrophobicContact CG2-CE1 4.38Å; V110-F183 HydrophobicContact CG2-CZ 4.2Å; V110-R187 VanDerWaalsContact CG1-CZ 3.49Å
111	E	96.7	Very high	95.4	Very high	100 Å²	100	45 Å²	45	47%	0.467	23%	0.231	S	C	.	.			trans	-118.8	72.6	170.4	-170.8	156.8	-152.9	0	0	110.6	K96 K97	K96-E111 WeakPolarHBondContact O-CA 3.32Å; K97-E111 WeakPolarHBondContact CE-OE2 3.37Å; K97-E111 HydrophobicContact CG-CB 4.22Å; K97-E111 VanDerWaalsContact CG-CD 3.47Å; K97-E111 HydrophobicContact CG-CG 4.04Å; K97-E111 WeakPolarHBondContact CG-OE1 3.39Å
112	P	96.8	Very high	95.4	Very high	7 Å²	7	48.8 Å²	48.8	5%	0.045	25%	0.249	C	C	.	.			trans	-78.2	159.6	176.8	32.9	-36.6	0	0	0	112.1	Y95 K96 L98 V110 C114 A149 F183	Y95-P112 WeakPolarHBondContact CA-O 3.39Å; K96-P112 PolarHBondContact N-O 3.44Å; K96-P112 WeakPolarHBondContact O-CD 3.44Å; L98-P112 HydrophobicContact CD1-CG 4.04Å; V110-P112 HydrophobicContact CG2-CG 4.25Å; V110-P112 WeakPolarHBondContact O-CD 3.43Å; P112-C114 PolarHBondContact O-N 3.22Å; P112-C114 PolarHBondContact O-SG 3.07Å; P112-A149 HydrophobicContact CG-CB 3.99Å; P112-F183 HydrophobicContact CB-CE2 3.81Å; P112-F183 HydrophobicContact CB-CZ 3.97Å; P112-F183 HydrophobicContact CG-CE2 4.33Å; P112-F183 HydrophobicContact CG-CZ 4.18Å
113	L	97.9	Very high	95.6	Very high	7 Å²	7	53.3 Å²	53.3	4%	0.037	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	129.5	161.4	-175.3	69.2	0	0	0	108.4	V93 Y95 M137 Q141 V143 L148 A149	V93-L113 HydrophobicContact CB-CD1 4.07Å; V93-L113 HydrophobicContact CB-CG 4.33Å; V93-L113 HydrophobicContact CG2-CD1 4.06Å; V93-L113 HydrophobicContact CG2-CD2 4.47Å; Y95-L113 HydrophobicContact CD1-CB 4.3Å; Y95-L113 HydrophobicContact CD2-CD1 3.98Å; Y95-L113 HydrophobicContact CE1-CB 3.88Å; Y95-L113 HydrophobicContact CE1-CD1 4.49Å; Y95-L113 HydrophobicContact CE2-CD1 3.77Å; Y95-L113 HydrophobicContact CG-CD1 4.42Å; L113-M137 HydrophobicContact CD2-SD 4.43Å; L113-Q141 HydrophobicContact CD2-CB 3.85Å; L113-Q141 HydrophobicContact CD2-CG 3.63Å; L113-V143 HydrophobicContact CD2-CG1 4.21Å; L113-L148 HydrophobicContact CB-CD2 3.89Å; L113-L148 HydrophobicContact CD2-CD2 3.89Å; L113-L148 HydrophobicContact CG-CD2 4.05Å; L113-L148 WeakPolarHBondContact O-CA 3.33Å; L113-L148 WeakPolarHBondContact O-CD2 3.47Å; L113-A149 PolarHBondContact O-N 3.39Å
114	C	98.4	Very high	95.8	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	144.8	-178.1	-59.1	0	0	0	0	111.6	V93 G94 K96 P112 L116 A149 F177	V93-C114 CarbonylContact C-O 3.48Å; V93-C114 WeakPolarHBondContact CA-O 3.42Å; V93-C114 WeakPolarHBondContact CB-O 3.39Å; G94-C114 PolarHBondContact N-O 3.11Å; G94-C114 WeakPolarHBondContact O-CB 3.35Å; G94-C114 PolarHBondContact O-N 3.38Å; K96-C114 HydrophobicContact CG-CB 4.15Å; P112-C114 PolarHBondContact O-N 3.22Å; P112-C114 PolarHBondContact O-SG 3.07Å; C114-L116 HydrophobicContact CB-CD2 3.6Å; C114-L116 HydrophobicContact CB-CG 4.05Å; C114-A149 CarbonylContact C-O 3.49Å; C114-A149 WeakPolarHBondContact CA-O 3.37Å; C114-F177 HydrophobicContact CB-CE1 4.02Å
115	V	98.6	Very high	96.1	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.024	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	123.7	161.4	178.2	0	0	0	0	107.9	L91 V93 F118 F134 L148 A149 Y150 D151	L91-V115 HydrophobicContact CD1-CG1 3.85Å; V93-V115 HydrophobicContact CG1-CG2 4.42Å; V115-F118 HydrophobicContact CG1-CB 4.4Å; V115-F134 HydrophobicContact CG2-CE2 3.98Å; V115-F134 HydrophobicContact CG2-CZ 4.05Å; V115-L148 HydrophobicContact CG2-CD1 4.14Å; V115-A149 PolarHBondContact N-O 3.44Å; V115-Y150 HydrophobicContact CB-CD1 3.79Å; V115-Y150 HydrophobicContact CB-CE1 4.22Å; V115-Y150 HydrophobicContact CG1-CD1 4.39Å; V115-Y150 HydrophobicContact CG2-CD1 3.84Å; V115-Y150 HydrophobicContact CG2-CE1 3.73Å; V115-D151 PolarHBondContact O-N 3.48Å
116	L	98.3	Very high	96.3	Very high	9 Å²	9	54.9 Å²	54.9	5%	0.047	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	-13.1	-165.9	-61.7	179	0	0	0	114.5	H70 K92 K96 C114 D151 F177	H70-L116 VanDerWaalsContact CE1-CD1 3.43Å; H70-L116 WeakPolarHBondContact CE1-CD1 3.42Å; H70-L116 WeakPolarHBondContact NE2-CD1 3.36Å; K92-L116 VanDerWaalsContact CE-CB 3.41Å; K92-L116 WeakPolarHBondContact CE-O 3.41Å; K92-L116 PolarHBondContact NZ-O 2.98Å; K92-L116 PolarHBondContact O-N 3.27Å; K96-L116 HydrophobicContact CG-CD2 4.11Å; C114-L116 HydrophobicContact CB-CD2 3.6Å; C114-L116 HydrophobicContact CB-CG 4.05Å; L116-D151 HydrophobicContact CD2-CB 4.07Å; L116-F177 HydrophobicContact CD2-CE1 4.12Å; L116-F177 HydrophobicContact CD2-CZ 4.37Å
117	D	98.4	Very high	96.5	Very high	5 Å²	5	57.1 Å²	57.1	3%	0.027	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.3	143.6	166.7	-163.5	-9.2	0	0	0	107.6	S49 Q53 I59 T60 F90 K92	S49-D117 PolarHBondContact OG-OD1 3.44Å; Q53-D117 PolarHBondContact NE2-OD1 3Å; I59-D117 HydrophobicContact CD1-CB 4.08Å; I59-D117 HydrophobicContact CG1-CB 4.3Å; I59-D117 WeakPolarHBondContact CG1-OD2 3.46Å; T60-D117 WeakPolarHBondContact CB-OD2 3.49Å; T60-D117 WeakPolarHBondContact OG1-CB 3.33Å; T60-D117 PolarHBondContact OG1-OD2 3.4Å; F90-D117 HydrophobicContact CE2-CB 3.9Å; F90-D117 HydrophobicContact CZ-CB 4.35Å; F90-D117 WeakPolarHBondContact CZ-OD2 3.33Å; K92-D117 HydrophobicContact CB-CB 3.96Å; K92-D117 HydrophobicContact CD-CB 4.42Å; K92-D117 PolarHBondContact N-O 2.9Å; K92-D117 PolarHBondContact O-N 3.48Å
118	F	98.6	Very high	96.8	Very high	41 Å²	41	53.3 Å²	53.3	18%	0.18	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	118.5	-179.3	178.6	-141.4	0	0	0	110.8	F90 L91 V115 I120 L133 F134 L157 F160	F90-F118 WeakPolarHBondContact O-CD2 3.4Å; L91-F118 HydrophobicContact CB-CD2 3.8Å; L91-F118 HydrophobicContact CB-CE2 4.23Å; L91-F118 HydrophobicContact CD1-CB 3.89Å; L91-F118 HydrophobicContact CD1-CD2 3.79Å; L91-F118 HydrophobicContact CD1-CG 3.93Å; L91-F118 HydrophobicContact CG-CD2 4.27Å; V115-F118 HydrophobicContact CG1-CB 4.4Å; F118-I120 HydrophobicContact CE2-CG1 4.48Å; F118-L133 HydrophobicContact CE2-CD2 4.41Å; F118-F134 HydrophobicContact CE1-CD2 4.34Å; F118-F134 HydrophobicContact CZ-CD2 4.41Å; F118-L157 HydrophobicContact CD1-CD1 3.89Å; F118-L157 HydrophobicContact CE1-CD1 4.17Å; F118-F160 HydrophobicContact CE1-CD1 4.43Å; F118-F160 HydrophobicContact CE1-CE1 4.19Å; F118-F160 HydrophobicContact CE1-CZ 4.4Å; F118-F160 HydrophobicContact CZ-CZ 4.43Å
119	Y	98.5	Very high	97	Very high	18 Å²	18	52.8 Å²	52.8	7%	0.071	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	136.5	-169.9	173.8	-106.5	0	0	0	111.7	L45 A48 A52 G89 F90 E122	L45-Y119 HydrophobicContact CD2-CD1 4.43Å; L45-Y119 HydrophobicContact CD2-CE1 4.41Å; A48-Y119 HydrophobicContact CB-CE1 3.79Å; A52-Y119 HydrophobicContact CB-CD2 3.95Å; A52-Y119 HydrophobicContact CB-CE2 3.65Å; G89-Y119 CarbonylContact C-O 3.5Å; G89-Y119 WeakPolarHBondContact CA-O 3.47Å; F90-Y119 HydrophobicContact CD1-CD1 4.18Å; F90-Y119 AromaticContact CE1-CD1 3.97Å; F90-Y119 HydrophobicContact CE1-CD1 3.97Å; F90-Y119 HydrophobicContact CE1-CG 4.25Å; F90-Y119 PolarHBondContact N-O 3.45Å; F90-Y119 PolarHBondContact O-N 3.1Å; Y119-E122 WeakPolarHBondContact CE2-OE1 3.22Å; Y119-E122 PolarHBondContact OH-OE1 3.13Å; Y119-E122 PolarHBondContact OH-OE2 3.15Å; Y119-E122 VanDerWaalsContact OH-OE2 3.13Å
120	I	98.4	Very high	97.2	Very high	14 Å²	14	48 Å²	48	7%	0.072	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	135.4	169.7	-58.2	-66.8	0	0	0	106.2	V88 F118 L124 Q125 L133	V88-I120 HydrophobicContact CG1-CG2 4.22Å; F118-I120 HydrophobicContact CE2-CG1 4.48Å; I120-L124 HydrophobicContact CG2-CB 4.1Å; I120-Q125 HydrophobicContact CB-CG 4.21Å; I120-Q125 HydrophobicContact CG2-CG 4.34Å; I120-Q125 WeakPolarHBondContact O-CG 3.41Å; I120-Q125 PolarHBondContact O-NE2 3.04Å; I120-L133 HydrophobicContact CD1-CD2 4.23Å
121	A	97	Very high	97.3	Very high	6 Å²	6	49.6 Å²	49.6	5%	0.05	24%	0.239	C	C	.	.			trans	-51.4	139.3	179.9	0	0	0	0	0	111.8	V88 N123 L124 Q125	V88-A121 PolarHBondContact O-N 3.37Å; A121-N123 VanDerWaalsContact C-N 3.3Å; A121-N123 PolarHBondContact O-N 2.83Å; A121-L124 HydrophobicContact CB-CD1 4.43Å; A121-L124 CarbonylContact O-C 3.57Å; A121-L124 WeakPolarHBondContact O-CA 3.45Å; A121-L124 PolarHBondContact O-N 2.92Å; A121-Q125 PolarHBondContact O-N 3.33Å
122	E	95.6	Very high	97.4	Very high	104 Å²	104	48 Å²	48	49%	0.486	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-58.1	-40.9	-165.4	-66.4	73.2	-162.3	0	0	113	Y119 L124 Q125	Y119-E122 WeakPolarHBondContact CE2-OE1 3.22Å; Y119-E122 PolarHBondContact OH-OE1 3.13Å; Y119-E122 PolarHBondContact OH-OE2 3.15Å; Y119-E122 VanDerWaalsContact OH-OE2 3.13Å; E122-L124 PolarHBondContact O-N 2.87Å; E122-Q125 PolarHBondContact O-N 2.91Å
123	N	94.6	Very high	97.5	Very high	121 Å²	121	47.6 Å²	47.6	65%	0.647	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-68.7	-16.5	177	67.4	-45.9	0	0	0	113.8	A121 H127	A121-N123 VanDerWaalsContact C-N 3.3Å; A121-N123 PolarHBondContact O-N 2.83Å; N123-H127 PolarHBondContact O-CE1 2.9Å
124	L	95.4	Very high	97.6	Very high	36 Å²	36	47.3 Å²	47.3	19%	0.188	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-107	-5.4	179.1	-57.9	-178.8	0	0	0	112.8	V88 I120 A121 E122 H127 Y129	V88-L124 HydrophobicContact CB-CD1 4.2Å; V88-L124 HydrophobicContact CG1-CD1 3.91Å; V88-L124 HydrophobicContact CG2-CD1 3.99Å; I120-L124 HydrophobicContact CG2-CB 4.1Å; A121-L124 HydrophobicContact CB-CD1 4.43Å; A121-L124 CarbonylContact O-C 3.57Å; A121-L124 WeakPolarHBondContact O-CA 3.45Å; A121-L124 PolarHBondContact O-N 2.92Å; E122-L124 PolarHBondContact O-N 2.87Å; L124-H127 PolarHBondContact O-N 2.86Å; L124-H127 PolarHBondContact O-ND1 3.32Å; L124-H127 VanDerWaalsContact O-ND1 3.16Å; L124-Y129 HydrophobicContact CB-CD2 3.95Å; L124-Y129 HydrophobicContact CB-CE2 3.92Å; L124-Y129 HydrophobicContact CD1-CE2 4.49Å; L124-Y129 HydrophobicContact CD2-CE2 4.15Å; L124-Y129 HydrophobicContact CG-CE2 4.41Å; L124-Y129 WeakPolarHBondContact O-CD2 3.45Å
125	Q	95.9	Very high	97.6	Very high	48 Å²	48	50.3 Å²	50.3	22%	0.224	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	149.5	175.1	-73.3	175.1	27.8	0	0	111.2	I120 A121 E122 H127	I120-Q125 HydrophobicContact CB-CG 4.21Å; I120-Q125 HydrophobicContact CG2-CG 4.34Å; I120-Q125 WeakPolarHBondContact O-CG 3.41Å; I120-Q125 PolarHBondContact O-NE2 3.04Å; A121-Q125 PolarHBondContact O-N 3.33Å; E122-Q125 PolarHBondContact O-N 2.91Å; Q125-H127 PolarHBondContact O-N 3.22Å; Q125-H127 PolarHBondContact O-ND1 3.49Å
126	R	96.1	Very high	97.6	Very high	257 Å²	257	53.3 Å²	53.3	97%	0.97	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.6	-5	-177.5	-54.8	176.3	174.1	166	-2.8	117.1	G128	R126-G128 VanDerWaalsContact C-N 3.3Å; R126-G128 PolarHBondContact O-N 2.91Å
127	H	96.6	Very high	97.6	Very high	130 Å²	130	52.9 Å²	52.9	60%	0.602	25%	0.254	S	S	*	.	S	Bend	trans	-83	11.7	178.9	-63.2	87.1	0	0	0	115.7	N123 L124 Q125 Y129	N123-H127 PolarHBondContact O-CE1 2.9Å; L124-H127 PolarHBondContact O-N 2.86Å; L124-H127 PolarHBondContact O-ND1 3.32Å; L124-H127 VanDerWaalsContact O-ND1 3.16Å; Q125-H127 PolarHBondContact O-N 3.22Å; Q125-H127 PolarHBondContact O-ND1 3.49Å; H127-Y129 HydrophobicContact CB-CD2 3.88Å; H127-Y129 HydrophobicContact CB-CE2 3.68Å
128	G	97.5	Very high	97.6	Very high	34 Å²	34	53.5 Å²	53.5	35%	0.351	26%	0.257	S	S	.	.	S	Bend	trans	96.6	-24.4	178	0	0	0	0	0	115.9	R126 G130 I131 E132	R126-G128 VanDerWaalsContact C-N 3.3Å; R126-G128 PolarHBondContact O-N 2.91Å; G128-G130 PolarHBondContact O-N 2.82Å; G128-I131 WeakPolarHBondContact O-CG2 3.32Å; G128-I131 PolarHBondContact O-N 3.48Å; G128-E132 PolarHBondContact O-N 3.37Å; G128-E132 VanDerWaalsContact O-N 3.09Å
129	Y	98.2	Very high	97.5	Very high	49 Å²	49	58.8 Å²	58.8	19%	0.192	28%	0.282	C	S	.	.	H	α-helix	trans	-48.9	-36	179.2	-58.3	-63.8	0	0	0	114.6	M75 V88 L124 H127 L133	M75-Y129 HydrophobicContact SD-CD1 3.67Å; M75-Y129 HydrophobicContact SD-CG 4.11Å; V88-Y129 HydrophobicContact CG1-CD1 3.99Å; V88-Y129 HydrophobicContact CG1-CD2 3.95Å; V88-Y129 HydrophobicContact CG1-CG 3.66Å; L124-Y129 HydrophobicContact CB-CD2 3.95Å; L124-Y129 HydrophobicContact CB-CE2 3.92Å; L124-Y129 HydrophobicContact CD1-CE2 4.49Å; L124-Y129 HydrophobicContact CD2-CE2 4.15Å; L124-Y129 HydrophobicContact CG-CE2 4.41Å; L124-Y129 WeakPolarHBondContact O-CD2 3.45Å; H127-Y129 HydrophobicContact CB-CD2 3.88Å; H127-Y129 HydrophobicContact CB-CE2 3.68Å; Y129-L133 VanDerWaalsContact O-CB 3.28Å; Y129-L133 WeakPolarHBondContact O-CB 3.14Å; Y129-L133 PolarHBondContact O-N 3.41Å
130	G	98.3	Very high	97.5	Very high	14 Å²	14	62.4 Å²	62.4	14%	0.144	30%	0.3	C	S	.	.	H	α-helix	trans	-67	-37.9	176.9	0	0	0	0	0	114.3	G128 F134 F160	G128-G130 PolarHBondContact O-N 2.82Å; G130-F134 VanDerWaalsContact O-CB 3.31Å; G130-F134 WeakPolarHBondContact O-CB 3.28Å; G130-F134 PolarHBondContact O-N 3.05Å; G130-F160 WeakPolarHBondContact O-CZ 3.5Å
131	I	98.5	Very high	97.4	Very high	37 Å²	37	63.2 Å²	63.2	19%	0.19	30%	0.303	C	S	.	.	H	α-helix	trans	-77.9	-34.8	177.2	-179.5	58.5	0	0	0	111	G128 N135 F160 H164 Y165	G128-I131 WeakPolarHBondContact O-CG2 3.32Å; G128-I131 PolarHBondContact O-N 3.48Å; I131-N135 WeakPolarHBondContact CD1-OD1 3.39Å; I131-N135 VanDerWaalsContact O-CB 3.26Å; I131-N135 WeakPolarHBondContact O-CB 3.48Å; I131-N135 PolarHBondContact O-N 3.1Å; I131-N135 PolarHBondContact O-ND2 3.36Å; I131-F160 HydrophobicContact CB-CE2 3.9Å; I131-F160 HydrophobicContact CB-CZ 4.27Å; I131-F160 HydrophobicContact CD1-CE2 4.46Å; I131-F160 HydrophobicContact CD1-CZ 4.19Å; I131-H164 HydrophobicContact CD1-CB 3.73Å; I131-Y165 HydrophobicContact CD1-CE1 4.09Å; I131-Y165 HydrophobicContact CD1-CE2 4.33Å; I131-Y165 WeakPolarHBondContact CD1-OH 3.5Å
132	E	98.6	Very high	97.4	Very high	66 Å²	66	70.2 Å²	70.2	31%	0.308	34%	0.34	S	S	.	.	H	α-helix	trans	-59.1	-53.1	171.9	-173.3	-166.1	156.6	0	0	111.5	R14 I15 M75 G128 F134 N135 F136	R14-E132 IonicContact CZ-OE1 2.73Å; R14-E132 IonicContact CZ-OE2 3.46Å; R14-E132 IonicContact NE-OE1 2.73Å; R14-E132 PolarHBondContact NE-OE1 2.87Å; R14-E132 IonicContact NE-OE2 2.71Å; R14-E132 IonicContact NH2-OE1 3.33Å; R14-E132 PolarHBondContact NH2-OE1 2.82Å; R14-E132 IonicContact NH2-OE2 2.76Å; R14-E132 PolarHBondContact NH2-OE2 3.08Å; I15-E132 HydrophobicContact CD1-CG 4.45Å; M75-E132 HydrophobicContact CE-CB 4.01Å; M75-E132 HydrophobicContact CE-CG 3.82Å; M75-E132 WeakPolarHBondContact CE-OE1 3.34Å; G128-E132 PolarHBondContact O-N 3.37Å; G128-E132 VanDerWaalsContact O-N 3.09Å; E132-F134 PolarHBondContact O-N 2.98Å; E132-N135 PolarHBondContact O-N 3.2Å; E132-F136 PolarHBondContact O-N 3.38Å
133	L	98.5	Very high	97.5	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-64.6	-37.5	-178.7	-171.7	56.6	0	0	0	113	I15 M75 L91 F118 I120 Y129 M137	I15-L133 HydrophobicContact CD1-CD1 4.03Å; I15-L133 HydrophobicContact CG1-CD1 4.17Å; I15-L133 HydrophobicContact CG2-CD1 3.62Å; M75-L133 HydrophobicContact CB-CD1 4.25Å; M75-L133 HydrophobicContact CB-CD2 4.29Å; M75-L133 HydrophobicContact CE-CB 3.9Å; M75-L133 HydrophobicContact CE-CD1 4.43Å; L91-L133 HydrophobicContact CB-CD2 3.92Å; L91-L133 HydrophobicContact CB-CG 3.97Å; F118-L133 HydrophobicContact CE2-CD2 4.41Å; I120-L133 HydrophobicContact CD1-CD2 4.23Å; Y129-L133 VanDerWaalsContact O-CB 3.28Å; Y129-L133 WeakPolarHBondContact O-CB 3.14Å; Y129-L133 PolarHBondContact O-N 3.41Å; L133-M137 PolarHBondContact O-N 3.44Å; L133-M137 VanDerWaalsContact O-N 3.16Å
134	F	98.7	Very high	97.5	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-72.8	-40.1	178.1	-155.4	-73.3	0	0	0	111.6	L91 V115 F118 G130 E132 F136 M137 L138 P145 L148 Y150 F160 L161 Y165	L91-F134 HydrophobicContact CD1-CD2 4.43Å; L91-F134 HydrophobicContact CD2-CB 4.26Å; L91-F134 HydrophobicContact CD2-CD2 3.86Å; L91-F134 HydrophobicContact CD2-CG 4.17Å; V115-F134 HydrophobicContact CG2-CE2 3.98Å; V115-F134 HydrophobicContact CG2-CZ 4.05Å; F118-F134 HydrophobicContact CE1-CD2 4.34Å; F118-F134 HydrophobicContact CZ-CD2 4.41Å; G130-F134 VanDerWaalsContact O-CB 3.31Å; G130-F134 WeakPolarHBondContact O-CB 3.28Å; G130-F134 PolarHBondContact O-N 3.05Å; E132-F134 PolarHBondContact O-N 2.98Å; F134-F136 PolarHBondContact O-N 2.95Å; F134-M137 HydrophobicContact CD1-CE 3.69Å; F134-M137 HydrophobicContact CD2-CE 4.25Å; F134-M137 HydrophobicContact CE1-CE 3.51Å; F134-M137 HydrophobicContact CE2-CE 4.08Å; F134-M137 HydrophobicContact CG-CE 4.08Å; F134-M137 HydrophobicContact CZ-CE 3.71Å; F134-M137 PolarHBondContact O-N 2.63Å; F134-L138 HydrophobicContact CD1-CD1 3.72Å; F134-L138 HydrophobicContact CD1-CD2 4.34Å; F134-L138 HydrophobicContact CD1-CG 3.81Å; F134-L138 HydrophobicContact CE1-CD1 3.91Å; F134-L138 HydrophobicContact CE1-CD2 3.92Å; F134-L138 HydrophobicContact CE1-CG 3.9Å; F134-L138 WeakPolarHBondContact O-CG 3.3Å; F134-L138 PolarHBondContact O-N 3.5Å; F134-P145 HydrophobicContact CE1-CB 4.32Å; F134-L148 HydrophobicContact CE1-CD1 4.03Å; F134-L148 HydrophobicContact CZ-CD1 3.84Å; F134-Y150 HydrophobicContact CE2-CE1 4.29Å; F134-Y150 AromaticContact CZ-CE1 3.91Å; F134-Y150 HydrophobicContact CZ-CE1 3.91Å; F134-F160 HydrophobicContact CB-CE1 4.2Å; F134-F160 HydrophobicContact CB-CZ 3.9Å; F134-F160 AromaticContact CD2-CE1 3.85Å; F134-F160 HydrophobicContact CD2-CE1 3.85Å; F134-F160 HydrophobicContact CD2-CZ 4.37Å; F134-F160 HydrophobicContact CE2-CE1 4.38Å; F134-F160 HydrophobicContact CG-CE1 4.01Å; F134-F160 HydrophobicContact CG-CZ 4.23Å; F134-L161 HydrophobicContact CE2-CD2 4.31Å; F134-L161 HydrophobicContact CZ-CD2 4.03Å; F134-Y165 AromaticContact CD1-CE2 3.48Å; F134-Y165 HydrophobicContact CD1-CE2 3.48Å; F134-Y165 VanDerWaalsContact CD1-CE2 3.48Å; F134-Y165 AromaticContact CD1-CZ 3.64Å; F134-Y165 WeakPolarHBondContact CD1-OH 3.43Å; F134-Y165 HydrophobicContact CE1-CD2 4.4Å; F134-Y165 AromaticContact CE1-CE2 3.65Å; F134-Y165 HydrophobicContact CE1-CE2 3.65Å; F134-Y165 HydrophobicContact CG-CE2 4.14Å; F134-Y165 HydrophobicContact CZ-CE2 4.44Å
135	N	98.6	Very high	97.6	Very high	63 Å²	63	64.7 Å²	64.7	34%	0.337	31%	0.314	S	S	.	.	H	α-helix	trans	-62.5	-41.9	174.1	-76.6	-11.5	0	0	0	112.1	I131 E132 M137 L138 Q139 Y165	I131-N135 WeakPolarHBondContact CD1-OD1 3.39Å; I131-N135 VanDerWaalsContact O-CB 3.26Å; I131-N135 WeakPolarHBondContact O-CB 3.48Å; I131-N135 PolarHBondContact O-N 3.1Å; I131-N135 PolarHBondContact O-ND2 3.36Å; E132-N135 PolarHBondContact O-N 3.2Å; N135-M137 VanDerWaalsContact C-N 3.34Å; N135-M137 PolarHBondContact O-N 2.98Å; N135-L138 PolarHBondContact O-N 3.12Å; N135-Q139 WeakPolarHBondContact O-CG 3.49Å; N135-Q139 PolarHBondContact O-N 3.48Å; N135-Y165 PolarHBondContact OD1-OH 3.31Å
136	F	98.6	Very high	97.6	Very high	68 Å²	68	62.8 Å²	62.8	30%	0.298	31%	0.305	S	S	.	.	H	α-helix	trans	-59.5	-43.9	174.9	-175.9	-84.3	0	0	0	111.7	I15 I17 Y73 E132 F134 Q139 H140	I15-F136 HydrophobicContact CB-CD1 4.29Å; I15-F136 HydrophobicContact CB-CD2 4.36Å; I15-F136 HydrophobicContact CB-CE1 4.26Å; I15-F136 HydrophobicContact CB-CE2 4.33Å; I15-F136 HydrophobicContact CB-CG 4.34Å; I15-F136 HydrophobicContact CB-CZ 4.28Å; I15-F136 HydrophobicContact CD1-CB 3.65Å; I15-F136 HydrophobicContact CD1-CD1 4.34Å; I15-F136 HydrophobicContact CD1-CD2 3.88Å; I15-F136 HydrophobicContact CD1-CG 3.7Å; I15-F136 HydrophobicContact CG2-CD1 3.61Å; I15-F136 HydrophobicContact CG2-CE1 3.68Å; I15-F136 HydrophobicContact CG2-CG 4.07Å; I15-F136 HydrophobicContact CG2-CZ 4.19Å; I17-F136 HydrophobicContact CD1-CE1 3.96Å; I17-F136 HydrophobicContact CD1-CZ 4.38Å; I17-F136 HydrophobicContact CG1-CE1 4.01Å; Y73-F136 AromaticContact CD1-CD1 3.69Å; Y73-F136 HydrophobicContact CD1-CD1 3.69Å; Y73-F136 AromaticContact CD1-CE1 3.76Å; Y73-F136 HydrophobicContact CD1-CE1 3.76Å; Y73-F136 HydrophobicContact CE1-CD1 4.06Å; Y73-F136 AromaticContact CE1-CE1 3.98Å; Y73-F136 HydrophobicContact CE1-CE1 3.98Å; E132-F136 PolarHBondContact O-N 3.38Å; F134-F136 PolarHBondContact O-N 2.95Å; F136-Q139 PolarHBondContact O-N 2.88Å; F136-H140 WeakPolarHBondContact O-CB 3.24Å; F136-H140 PolarHBondContact O-N 3Å
137	M	98.4	Very high	97.6	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-61.1	-46.7	174.9	176.1	-78.6	-62.9	0	0	112	Y73 L91 V93 L113 L133 F134 N135 Q139 H140 Q141 L148	Y73-M137 HydrophobicContact CD2-CB 3.85Å; Y73-M137 HydrophobicContact CD2-CG 3.74Å; Y73-M137 HydrophobicContact CE2-CB 3.83Å; Y73-M137 HydrophobicContact CE2-CG 3.39Å; Y73-M137 HydrophobicContact CG-CB 4.27Å; L91-M137 HydrophobicContact CD2-CB 3.66Å; L91-M137 HydrophobicContact CD2-CE 3.97Å; L91-M137 HydrophobicContact CD2-CG 3.9Å; L91-M137 HydrophobicContact CG-CG 4.5Å; V93-M137 HydrophobicContact CG1-CE 4.47Å; V93-M137 HydrophobicContact CG1-CG 3.92Å; V93-M137 HydrophobicContact CG1-SD 4.09Å; V93-M137 HydrophobicContact CG2-CG 4.49Å; L113-M137 HydrophobicContact CD2-SD 4.43Å; L133-M137 PolarHBondContact O-N 3.44Å; L133-M137 VanDerWaalsContact O-N 3.16Å; F134-M137 HydrophobicContact CD1-CE 3.69Å; F134-M137 HydrophobicContact CD2-CE 4.25Å; F134-M137 HydrophobicContact CE1-CE 3.51Å; F134-M137 HydrophobicContact CE2-CE 4.08Å; F134-M137 HydrophobicContact CG-CE 4.08Å; F134-M137 HydrophobicContact CZ-CE 3.71Å; F134-M137 PolarHBondContact O-N 2.63Å; N135-M137 VanDerWaalsContact C-N 3.34Å; N135-M137 PolarHBondContact O-N 2.98Å; M137-Q139 VanDerWaalsContact C-N 3.34Å; M137-Q139 PolarHBondContact O-N 3Å; M137-H140 PolarHBondContact O-N 2.87Å; M137-Q141 HydrophobicContact CG-CG 4.34Å; M137-Q141 VanDerWaalsContact O-CB 3.3Å; M137-Q141 WeakPolarHBondContact O-CB 3.18Å; M137-Q141 VanDerWaalsContact O-CG 3.31Å; M137-Q141 WeakPolarHBondContact O-CG 3.46Å; M137-Q141 PolarHBondContact O-N 2.76Å; M137-Q141 HydrophobicContact SD-CG 4.15Å; M137-L148 HydrophobicContact CE-CD1 3.91Å
138	L	98.4	Very high	97.7	Very high	17 Å²	17	46.8 Å²	46.8	9%	0.089	24%	0.243	C	C	.	.	H	α-helix	trans	-60.4	-42.4	178.4	-69.7	172.5	0	0	0	112.3	F134 N135 N142 V143 P145 L148 Y165	F134-L138 HydrophobicContact CD1-CD1 3.72Å; F134-L138 HydrophobicContact CD1-CD2 4.34Å; F134-L138 HydrophobicContact CD1-CG 3.81Å; F134-L138 HydrophobicContact CE1-CD1 3.91Å; F134-L138 HydrophobicContact CE1-CD2 3.92Å; F134-L138 HydrophobicContact CE1-CG 3.9Å; F134-L138 WeakPolarHBondContact O-CG 3.3Å; F134-L138 PolarHBondContact O-N 3.5Å; N135-L138 PolarHBondContact O-N 3.12Å; L138-N142 WeakPolarHBondContact O-CA 3.38Å; L138-N142 PolarHBondContact O-N 3.48Å; L138-V143 HydrophobicContact CD2-CG1 3.97Å; L138-V143 WeakPolarHBondContact CD2-O 3.08Å; L138-V143 PolarHBondContact O-N 3.47Å; L138-V143 VanDerWaalsContact O-N 3.15Å; L138-P145 HydrophobicContact CD1-CB 4.13Å; L138-P145 HydrophobicContact CD1-CG 4.25Å; L138-P145 HydrophobicContact CD2-CB 4.07Å; L138-L148 HydrophobicContact CD2-CD1 3.93Å; L138-Y165 HydrophobicContact CD1-CE1 3.79Å; L138-Y165 HydrophobicContact CD1-CE2 4.44Å
139	Q	98.2	Very high	97.7	Very high	152 Å²	152	45.1 Å²	45.1	71%	0.71	23%	0.226	S	C	*	.	H	α-helix	trans	-64.8	-49.8	176.7	-72.6	172.8	-6.5	0	0	111.5	N135 F136 M137 Q141 N142	N135-Q139 WeakPolarHBondContact O-CG 3.49Å; N135-Q139 PolarHBondContact O-N 3.48Å; F136-Q139 PolarHBondContact O-N 2.88Å; M137-Q139 VanDerWaalsContact C-N 3.34Å; M137-Q139 PolarHBondContact O-N 3Å; Q139-Q141 PolarHBondContact O-N 3.48Å; Q139-N142 PolarHBondContact O-N 3.37Å; Q139-N142 VanDerWaalsContact O-N 3.17Å
140	H	97.6	Very high	97.7	Very high	95 Å²	95	42.9 Å²	42.9	44%	0.44	22%	0.217	S	C	.	.	H	α-helix	trans	-63.6	-38.8	179.6	177.6	-82.3	0	0	0	112.9	I17 Y73 F136 M137 N142	I17-H140 WeakPolarHBondContact CD1-CD2 3.45Å; I17-H140 VanDerWaalsContact CD1-NE2 3.31Å; I17-H140 WeakPolarHBondContact CD1-NE2 3.15Å; Y73-H140 HydrophobicContact CE1-CB 4.19Å; Y73-H140 AromaticContact CZ-ND1 3.93Å; Y73-H140 PolarHBondContact OH-ND1 2.83Å; F136-H140 WeakPolarHBondContact O-CB 3.24Å; F136-H140 PolarHBondContact O-N 3Å; M137-H140 PolarHBondContact O-N 2.87Å; H140-N142 VanDerWaalsContact C-N 3.29Å
141	Q	97.1	Very high	97.6	Very high	31 Å²	31	44.9 Å²	44.9	15%	0.145	23%	0.225	C	C	.	.	H	α-helix	trans	-82.7	-6.1	178.1	-65.3	-73.3	-17.8	0	0	113	Y73 L113 M137 Q139 V143	Y73-Q141 PolarHBondContact OH-NE2 2.84Å; L113-Q141 HydrophobicContact CD2-CB 3.85Å; L113-Q141 HydrophobicContact CD2-CG 3.63Å; M137-Q141 HydrophobicContact CG-CG 4.34Å; M137-Q141 VanDerWaalsContact O-CB 3.3Å; M137-Q141 WeakPolarHBondContact O-CB 3.18Å; M137-Q141 VanDerWaalsContact O-CG 3.31Å; M137-Q141 WeakPolarHBondContact O-CG 3.46Å; M137-Q141 PolarHBondContact O-N 2.76Å; M137-Q141 HydrophobicContact SD-CG 4.15Å; Q139-Q141 PolarHBondContact O-N 3.48Å; Q141-V143 VanDerWaalsContact C-N 3.32Å; Q141-V143 HydrophobicContact CB-CB 4.38Å; Q141-V143 HydrophobicContact CB-CG1 3.69Å; Q141-V143 PolarHBondContact O-N 3.02Å
142	N	97.1	Very high	97.5	Very high	153 Å²	153	50.8 Å²	50.8	82%	0.818	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	45.8	52.7	-174.7	-169.7	24.3	0	0	0	112.8	L138 Q139 H140	L138-N142 WeakPolarHBondContact O-CA 3.38Å; L138-N142 PolarHBondContact O-N 3.48Å; Q139-N142 PolarHBondContact O-N 3.37Å; Q139-N142 VanDerWaalsContact O-N 3.17Å; H140-N142 VanDerWaalsContact C-N 3.29Å
143	V	96.1	Very high	97.4	Very high	34 Å²	34	48.5 Å²	48.5	21%	0.206	24%	0.236	C	C	.	.			trans	-135	144.4	-171.4	71	0	0	0	0	111	L113 L138 Q141 L147 L148	L113-V143 HydrophobicContact CD2-CG1 4.21Å; L138-V143 HydrophobicContact CD2-CG1 3.97Å; L138-V143 WeakPolarHBondContact CD2-O 3.08Å; L138-V143 PolarHBondContact O-N 3.47Å; L138-V143 VanDerWaalsContact O-N 3.15Å; Q141-V143 VanDerWaalsContact C-N 3.32Å; Q141-V143 HydrophobicContact CB-CB 4.38Å; Q141-V143 HydrophobicContact CB-CG1 3.69Å; Q141-V143 PolarHBondContact O-N 3.02Å; V143-L147 HydrophobicContact CG2-CB 4.03Å; V143-L148 HydrophobicContact CG1-CD2 3.93Å; V143-L148 HydrophobicContact CG2-CD2 4.07Å
144	E	96.2	Very high	97.4	Very high	84 Å²	84	50.7 Å²	50.7	39%	0.393	25%	0.251	S	S	.	.			trans	-80.5	145.3	171.5	-64.3	-176.5	128.5	0	0	111.1	V146 L147 K186	E144-V146 HydrophobicContact CB-CG1 4.32Å; E144-V146 PolarHBondContact O-N 3.09Å; E144-V146 VanDerWaalsContact O-N 3.11Å; E144-L147 HydrophobicContact CB-CD1 4.15Å; E144-L147 HydrophobicContact CB-CG 4.2Å; E144-L147 HydrophobicContact CG-CD1 4.47Å; E144-L147 PolarHBondContact O-N 2.94Å; E144-K186 IonicContact OE1-NZ 3.7Å; E144-K186 PolarHBondContact OE1-NZ 2.7Å; E144-K186 WeakPolarHBondContact OE2-CD 3.23Å; E144-K186 WeakPolarHBondContact OE2-CE 3.4Å; E144-K186 IonicContact OE2-NZ 3.67Å; E144-K186 PolarHBondContact OE2-NZ 2.83Å
145	P	96.7	Very high	97.3	Very high	26 Å²	26	56.5 Å²	56.5	17%	0.169	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-63	-23	-178.9	26.6	-35.8	0	0	0	113.5	F134 L138 L147 L148 Y150 Y165 L167	F134-P145 HydrophobicContact CE1-CB 4.32Å; L138-P145 HydrophobicContact CD1-CB 4.13Å; L138-P145 HydrophobicContact CD1-CG 4.25Å; L138-P145 HydrophobicContact CD2-CB 4.07Å; P145-L147 VanDerWaalsContact C-N 3.32Å; P145-L148 PolarHBondContact O-N 3.27Å; P145-Y150 PolarHBondContact O-OH 2.97Å; P145-Y165 HydrophobicContact CB-CD1 4.23Å; P145-Y165 HydrophobicContact CB-CD2 3.94Å; P145-Y165 HydrophobicContact CB-CE2 4.41Å; P145-Y165 HydrophobicContact CB-CG 3.84Å; P145-Y165 HydrophobicContact CG-CD1 3.71Å; P145-Y165 HydrophobicContact CG-CD2 4.29Å; P145-Y165 HydrophobicContact CG-CE1 4.35Å; P145-Y165 HydrophobicContact CG-CG 3.67Å; P145-L167 HydrophobicContact CB-CD1 4.19Å
146	V	96	Very high	97.2	Very high	8 Å²	8	59.4 Å²	59.4	5%	0.048	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-79.7	-12.4	176.7	79.6	0	0	0	0	113.7	E144 L148 L167 F180 D182 F183 K186	E144-V146 HydrophobicContact CB-CG1 4.32Å; E144-V146 PolarHBondContact O-N 3.09Å; E144-V146 VanDerWaalsContact O-N 3.11Å; V146-L148 VanDerWaalsContact C-N 3.35Å; V146-L167 HydrophobicContact CB-CD2 3.74Å; V146-L167 HydrophobicContact CG2-CD2 3.57Å; V146-F180 HydrophobicContact CG2-CB 4.16Å; V146-D182 HydrophobicContact CG1-CB 4.41Å; V146-D182 HydrophobicContact CG2-CB 3.7Å; V146-F183 WeakPolarHBondContact O-CA 3.45Å; V146-F183 WeakPolarHBondContact O-CB 3.46Å; V146-K186 HydrophobicContact CG1-CD 3.87Å
147	L	96.1	Very high	97.2	Very high	51 Å²	51	57 Å²	57	27%	0.267	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-92.5	2.2	174	-63.6	175.8	0	0	0	112.5	V143 E144 P145 F183 K186	V143-L147 HydrophobicContact CG2-CB 4.03Å; E144-L147 HydrophobicContact CB-CD1 4.15Å; E144-L147 HydrophobicContact CB-CG 4.2Å; E144-L147 HydrophobicContact CG-CD1 4.47Å; E144-L147 PolarHBondContact O-N 2.94Å; P145-L147 VanDerWaalsContact C-N 3.32Å; L147-F183 WeakPolarHBondContact O-CE2 3.39Å; L147-K186 HydrophobicContact CD2-CB 3.87Å
148	L	97.4	Very high	97.1	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	30%	0.303	C	S	.	.			trans	-90.2	149.4	175.2	-56.5	178.6	0	0	0	111.3	L113 V115 F134 M137 L138 V143 P145 V146 Y150	L113-L148 HydrophobicContact CB-CD2 3.89Å; L113-L148 HydrophobicContact CD2-CD2 3.89Å; L113-L148 HydrophobicContact CG-CD2 4.05Å; L113-L148 WeakPolarHBondContact O-CA 3.33Å; L113-L148 WeakPolarHBondContact O-CD2 3.47Å; V115-L148 HydrophobicContact CG2-CD1 4.14Å; F134-L148 HydrophobicContact CE1-CD1 4.03Å; F134-L148 HydrophobicContact CZ-CD1 3.84Å; M137-L148 HydrophobicContact CE-CD1 3.91Å; L138-L148 HydrophobicContact CD2-CD1 3.93Å; V143-L148 HydrophobicContact CG1-CD2 3.93Å; V143-L148 HydrophobicContact CG2-CD2 4.07Å; P145-L148 PolarHBondContact O-N 3.27Å; V146-L148 VanDerWaalsContact C-N 3.35Å; L148-Y150 HydrophobicContact CB-CE2 3.93Å
149	A	97.6	Very high	97.1	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	153.2	159.9	0	0	0	0	0	110.1	L98 P112 L113 C114 V115 F177	L98-A149 HydrophobicContact CD1-CB 3.85Å; P112-A149 HydrophobicContact CG-CB 3.99Å; L113-A149 PolarHBondContact O-N 3.39Å; C114-A149 CarbonylContact C-O 3.49Å; C114-A149 WeakPolarHBondContact CA-O 3.37Å; V115-A149 PolarHBondContact N-O 3.44Å; A149-F177 HydrophobicContact CB-CD1 4.14Å
150	Y	98.3	Very high	97.1	Very high	1 Å²	1	56.4 Å²	56.4	0%	0.004	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	117.7	-174.4	-60.4	-94.9	0	0	0	109.6	V115 F134 P145 L148 R152 P153 L157 L161 L167 F177 V178 F180	V115-Y150 HydrophobicContact CB-CD1 3.79Å; V115-Y150 HydrophobicContact CB-CE1 4.22Å; V115-Y150 HydrophobicContact CG1-CD1 4.39Å; V115-Y150 HydrophobicContact CG2-CD1 3.84Å; V115-Y150 HydrophobicContact CG2-CE1 3.73Å; F134-Y150 HydrophobicContact CE2-CE1 4.29Å; F134-Y150 AromaticContact CZ-CE1 3.91Å; F134-Y150 HydrophobicContact CZ-CE1 3.91Å; P145-Y150 PolarHBondContact O-OH 2.97Å; L148-Y150 HydrophobicContact CB-CE2 3.93Å; Y150-R152 PolarHBondContact O-N 2.75Å; Y150-P153 WeakPolarHBondContact O-CD 3.49Å; Y150-L157 HydrophobicContact CD1-CD2 4.4Å; Y150-L161 HydrophobicContact CD1-CD1 3.7Å; Y150-L161 HydrophobicContact CD2-CD1 4.32Å; Y150-L161 HydrophobicContact CE1-CD1 3.42Å; Y150-L161 VanDerWaalsContact CE1-CD1 3.42Å; Y150-L161 HydrophobicContact CE1-CD2 3.67Å; Y150-L161 HydrophobicContact CE1-CG 4.18Å; Y150-L161 HydrophobicContact CE2-CD1 4.1Å; Y150-L161 HydrophobicContact CG-CD1 4.15Å; Y150-L167 HydrophobicContact CE2-CD1 4.45Å; Y150-F177 CarbonylContact O-C 3.49Å; Y150-F177 WeakPolarHBondContact O-CA 3.43Å; Y150-V178 PolarHBondContact N-O 3.35Å; Y150-V178 PolarHBondContact O-N 3.16Å; Y150-F180 HydrophobicContact CD2-CD2 4.37Å; Y150-F180 AromaticContact CD2-CE2 3.89Å; Y150-F180 HydrophobicContact CD2-CE2 3.89Å; Y150-F180 HydrophobicContact CE2-CD2 4.05Å; Y150-F180 AromaticContact CE2-CE2 3.74Å; Y150-F180 HydrophobicContact CE2-CE2 3.74Å
151	D	97.6	Very high	97.1	Very high	57 Å²	57	51.9 Å²	51.9	31%	0.305	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	119.2	175.9	-161.7	-10.8	0	0	0	109.4	V115 L116 F177	V115-D151 PolarHBondContact O-N 3.48Å; L116-D151 HydrophobicContact CD2-CB 4.07Å; D151-F177 HydrophobicContact CB-CD1 4Å; D151-F177 HydrophobicContact CB-CE1 3.54Å; D151-F177 HydrophobicContact CB-CE2 4.43Å; D151-F177 HydrophobicContact CB-CZ 3.76Å
152	R	96.2	Very high	97.1	Very high	161 Å²	161	51.5 Å²	51.5	61%	0.608	28%	0.276	S	S	*	.	S	Bend	trans	41.8	52.3	175.7	-63	174	177	-144.2	-8.5	115.1	Y150 S154 N176	Y150-R152 PolarHBondContact O-N 2.75Å; R152-S154 PolarHBondContact O-N 3.38Å; R152-N176 HydrophobicContact CG-CB 3.78Å; R152-N176 PolarHBondContact N-O 3.45Å; R152-N176 PolarHBondContact NE-OD1 2.64Å; R152-N176 VanDerWaalsContact NH2-CG 3.28Å; R152-N176 PolarHBondContact NH2-ND2 3.38Å; R152-N176 PolarHBondContact NH2-OD1 3.49Å
153	P	97	Very high	97.2	Very high	17 Å²	17	53.5 Å²	53.5	11%	0.11	27%	0.273	C	S	.	.			trans	-62.5	124.5	-172.7	26.7	-35.7	0	0	0	111.9	Y150 L157 L158 V178	Y150-P153 WeakPolarHBondContact O-CD 3.49Å; P153-L157 HydrophobicContact CB-CB 4.31Å; P153-L157 HydrophobicContact CB-CD2 3.85Å; P153-L157 HydrophobicContact CB-CG 4.05Å; P153-L158 HydrophobicContact CB-CD2 4.03Å; P153-L158 HydrophobicContact CB-CG 4.17Å; P153-L158 HydrophobicContact CG-CD2 3.79Å; P153-L158 HydrophobicContact CG-CG 4.24Å; P153-V178 HydrophobicContact CG-CB 3.85Å; P153-V178 HydrophobicContact CG-CG2 3.55Å
154	S	96.8	Very high	97.2	Very high	47 Å²	47	55.1 Å²	55.1	33%	0.329	28%	0.278	S	S	.	.			trans	-61.2	159.5	175.5	68.8	0	0	0	0	112.2	R152 K156 L157 L158	R152-S154 PolarHBondContact O-N 3.38Å; S154-K156 PolarHBondContact O-N 2.96Å; S154-L157 WeakPolarHBondContact O-CA 3.21Å; S154-L157 WeakPolarHBondContact O-CB 3.11Å; S154-L157 PolarHBondContact O-N 3.2Å; S154-L157 PolarHBondContact OG-N 3.44Å; S154-L158 PolarHBondContact O-N 3.26Å
155	T	96.6	Very high	97.3	Very high	121 Å²	121	53 Å²	53	74%	0.742	27%	0.266	S	S	*	.	H	α-helix	trans	-56.6	-33.7	175.2	54	0	0	0	0	112.6	A159	T155-A159 WeakPolarHBondContact O-CB 3.43Å; T155-A159 PolarHBondContact O-N 2.92Å; T155-A159 VanDerWaalsContact O-N 3.08Å
156	K	97.2	Very high	97.3	Very high	125 Å²	125	57.4 Å²	57.4	54%	0.543	29%	0.288	S	S	.	.	H	α-helix	trans	-61.6	-43.8	171.3	-65.2	-176.7	-179.1	177.4	0	111.8	S154 F160	S154-K156 PolarHBondContact O-N 2.96Å; K156-F160 WeakPolarHBondContact O-CB 3.33Å; K156-F160 PolarHBondContact O-N 2.98Å
157	L	97.8	Very high	97.2	Very high	16 Å²	16	57.5 Å²	57.5	8%	0.084	29%	0.289	C	S	.	.	H	α-helix	trans	-69.8	-45.2	179.4	179.6	50.3	0	0	0	111.5	F118 Y150 P153 S154 A159 F160 L161	F118-L157 HydrophobicContact CD1-CD1 3.89Å; F118-L157 HydrophobicContact CE1-CD1 4.17Å; Y150-L157 HydrophobicContact CD1-CD2 4.4Å; P153-L157 HydrophobicContact CB-CB 4.31Å; P153-L157 HydrophobicContact CB-CD2 3.85Å; P153-L157 HydrophobicContact CB-CG 4.05Å; S154-L157 WeakPolarHBondContact O-CA 3.21Å; S154-L157 WeakPolarHBondContact O-CB 3.11Å; S154-L157 PolarHBondContact O-N 3.2Å; S154-L157 PolarHBondContact OG-N 3.44Å; L157-A159 VanDerWaalsContact C-N 3.33Å; L157-A159 PolarHBondContact O-N 3.09Å; L157-F160 HydrophobicContact CD1-CD1 3.88Å; L157-F160 WeakPolarHBondContact O-CB 3.19Å; L157-F160 PolarHBondContact O-N 3.11Å; L157-F160 VanDerWaalsContact O-N 3.1Å; L157-L161 HydrophobicContact CD1-CD1 4.1Å; L157-L161 HydrophobicContact CD1-CD2 4.16Å; L157-L161 HydrophobicContact CD1-CG 3.89Å; L157-L161 HydrophobicContact CG-CD1 4.14Å; L157-L161 HydrophobicContact CG-CG 4.39Å; L157-L161 WeakPolarHBondContact O-CG 3.42Å; L157-L161 PolarHBondContact O-N 3.08Å
158	L	97.5	Very high	97.1	Very high	66 Å²	66	63.5 Å²	63.5	35%	0.346	31%	0.308	S	S	.	.	H	α-helix	trans	-57.4	-45	175.5	-67.8	173.8	0	0	0	111.8	P153 S154 F160 L161 A162 F180	P153-L158 HydrophobicContact CB-CD2 4.03Å; P153-L158 HydrophobicContact CB-CG 4.17Å; P153-L158 HydrophobicContact CG-CD2 3.79Å; P153-L158 HydrophobicContact CG-CG 4.24Å; S154-L158 PolarHBondContact O-N 3.26Å; L158-F160 VanDerWaalsContact C-N 3.34Å; L158-F160 PolarHBondContact O-N 3.23Å; L158-L161 PolarHBondContact O-N 2.91Å; L158-A162 VanDerWaalsContact O-CB 3.29Å; L158-A162 WeakPolarHBondContact O-CB 3.46Å; L158-A162 PolarHBondContact O-N 3.31Å; L158-F180 HydrophobicContact CD2-CZ 4.45Å
159	A	97.8	Very high	96.8	Very high	62 Å²	62	69.3 Å²	69.3	51%	0.512	34%	0.335	S	S	.	.	H	α-helix	trans	-64.6	-35.3	175.5	0	0	0	0	0	113.2	T155 L157 R163	T155-A159 WeakPolarHBondContact O-CB 3.43Å; T155-A159 PolarHBondContact O-N 2.92Å; T155-A159 VanDerWaalsContact O-N 3.08Å; L157-A159 VanDerWaalsContact C-N 3.33Å; L157-A159 PolarHBondContact O-N 3.09Å; A159-R163 VanDerWaalsContact O-CB 3.31Å; A159-R163 WeakPolarHBondContact O-CB 3.14Å; A159-R163 PolarHBondContact O-N 3.2Å; A159-R163 VanDerWaalsContact O-N 3.11Å
160	F	98.4	Very high	96.6	Very high	30 Å²	30	72.3 Å²	72.3	13%	0.132	36%	0.356	C	S	.	.	H	α-helix	trans	-64.9	-48.6	174.3	167.2	-91.2	0	0	0	111.7	F118 G130 I131 F134 K156 L157 L158 A162 R163 H164 Y165	F118-F160 HydrophobicContact CE1-CD1 4.43Å; F118-F160 HydrophobicContact CE1-CE1 4.19Å; F118-F160 HydrophobicContact CE1-CZ 4.4Å; F118-F160 HydrophobicContact CZ-CZ 4.43Å; G130-F160 WeakPolarHBondContact O-CZ 3.5Å; I131-F160 HydrophobicContact CB-CE2 3.9Å; I131-F160 HydrophobicContact CB-CZ 4.27Å; I131-F160 HydrophobicContact CD1-CE2 4.46Å; I131-F160 HydrophobicContact CD1-CZ 4.19Å; F134-F160 HydrophobicContact CB-CE1 4.2Å; F134-F160 HydrophobicContact CB-CZ 3.9Å; F134-F160 AromaticContact CD2-CE1 3.85Å; F134-F160 HydrophobicContact CD2-CE1 3.85Å; F134-F160 HydrophobicContact CD2-CZ 4.37Å; F134-F160 HydrophobicContact CE2-CE1 4.38Å; F134-F160 HydrophobicContact CG-CE1 4.01Å; F134-F160 HydrophobicContact CG-CZ 4.23Å; K156-F160 WeakPolarHBondContact O-CB 3.33Å; K156-F160 PolarHBondContact O-N 2.98Å; L157-F160 HydrophobicContact CD1-CD1 3.88Å; L157-F160 WeakPolarHBondContact O-CB 3.19Å; L157-F160 PolarHBondContact O-N 3.11Å; L157-F160 VanDerWaalsContact O-N 3.1Å; L158-F160 VanDerWaalsContact C-N 3.34Å; L158-F160 PolarHBondContact O-N 3.23Å; F160-A162 PolarHBondContact O-N 2.9Å; F160-R163 PolarHBondContact O-N 3.47Å; F160-H164 AromaticContact CD2-CD2 3.45Å; F160-H164 VanDerWaalsContact CD2-CD2 3.45Å; F160-H164 WeakPolarHBondContact CD2-CD2 3.33Å; F160-H164 AromaticContact CD2-NE2 3.96Å; F160-H164 AromaticContact CE2-CD2 3.69Å; F160-H164 PolarHBondContact O-CD2 2.72Å; F160-H164 VanDerWaalsContact O-CD2 3.32Å; F160-H164 PolarHBondContact O-N 2.77Å; F160-Y165 AromaticContact CE1-CE2 3.98Å; F160-Y165 HydrophobicContact CE1-CE2 3.98Å; F160-Y165 HydrophobicContact CZ-CE2 4.39Å
161	L	98.1	Very high	96.3	Very high	0 Å²	0	72.7 Å²	72.7	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-63.7	-41.6	178.7	-61.9	172.6	0	0	0	111.8	F134 Y150 L157 L158 R163 Y165 N166 L167 F180	F134-L161 HydrophobicContact CE2-CD2 4.31Å; F134-L161 HydrophobicContact CZ-CD2 4.03Å; Y150-L161 HydrophobicContact CD1-CD1 3.7Å; Y150-L161 HydrophobicContact CD2-CD1 4.32Å; Y150-L161 HydrophobicContact CE1-CD1 3.42Å; Y150-L161 VanDerWaalsContact CE1-CD1 3.42Å; Y150-L161 HydrophobicContact CE1-CD2 3.67Å; Y150-L161 HydrophobicContact CE1-CG 4.18Å; Y150-L161 HydrophobicContact CE2-CD1 4.1Å; Y150-L161 HydrophobicContact CG-CD1 4.15Å; L157-L161 HydrophobicContact CD1-CD1 4.1Å; L157-L161 HydrophobicContact CD1-CD2 4.16Å; L157-L161 HydrophobicContact CD1-CG 3.89Å; L157-L161 HydrophobicContact CG-CD1 4.14Å; L157-L161 HydrophobicContact CG-CG 4.39Å; L157-L161 WeakPolarHBondContact O-CG 3.42Å; L157-L161 PolarHBondContact O-N 3.08Å; L158-L161 PolarHBondContact O-N 2.91Å; L161-R163 VanDerWaalsContact C-N 3.28Å; L161-R163 PolarHBondContact O-N 3.4Å; L161-Y165 HydrophobicContact CD2-CD2 3.9Å; L161-Y165 HydrophobicContact CD2-CE2 4.31Å; L161-Y165 CarbonylContact O-C 3.59Å; L161-Y165 WeakPolarHBondContact O-CA 3.46Å; L161-Y165 PolarHBondContact O-N 3.18Å; L161-N166 PolarHBondContact O-N 3.21Å; L161-L167 HydrophobicContact CB-CB 4.09Å; L161-L167 HydrophobicContact CB-CD1 4.32Å; L161-L167 HydrophobicContact CD2-CD1 4.44Å; L161-L167 PolarHBondContact O-N 3.22Å; L161-F180 HydrophobicContact CD1-CE2 4.14Å; L161-F180 HydrophobicContact CD1-CZ 4.28Å
162	A	97.6	Very high	96	Very high	23 Å²	23	75.2 Å²	75.2	19%	0.19	38%	0.377	C	S	.	.	H	α-helix	trans	-66.5	-25	176.6	0	0	0	0	0	114.2	L158 F160 L167 R168	L158-A162 VanDerWaalsContact O-CB 3.29Å; L158-A162 WeakPolarHBondContact O-CB 3.46Å; L158-A162 PolarHBondContact O-N 3.31Å; F160-A162 PolarHBondContact O-N 2.9Å; A162-L167 VanDerWaalsContact CA-O 3.29Å; A162-L167 WeakPolarHBondContact CA-O 3.36Å; A162-L167 WeakPolarHBondContact CB-O 3.44Å; A162-L167 PolarHBondContact N-O 3.07Å; A162-R168 HydrophobicContact CB-CG 3.9Å
163	R	97.4	Very high	95.9	Very high	195 Å²	195	69.2 Å²	69.2	74%	0.736	36%	0.357	S	S	*	.	H	α-helix	trans	-87.3	-45.6	177	-179.5	-178.6	-178.7	-170.4	0.7	113	A159 F160 L161	A159-R163 VanDerWaalsContact O-CB 3.31Å; A159-R163 WeakPolarHBondContact O-CB 3.14Å; A159-R163 PolarHBondContact O-N 3.2Å; A159-R163 VanDerWaalsContact O-N 3.11Å; F160-R163 PolarHBondContact O-N 3.47Å; L161-R163 VanDerWaalsContact C-N 3.28Å; L161-R163 PolarHBondContact O-N 3.4Å
164	H	97.7	Very high	95.7	Very high	68 Å²	68	74 Å²	74	32%	0.315	39%	0.385	S	S	.	.	H	α-helix	trans	-96	-25.4	-169.1	-69.3	-76.1	0	0	0	113.9	I131 F160	I131-H164 HydrophobicContact CD1-CB 3.73Å; F160-H164 AromaticContact CD2-CD2 3.45Å; F160-H164 VanDerWaalsContact CD2-CD2 3.45Å; F160-H164 WeakPolarHBondContact CD2-CD2 3.33Å; F160-H164 AromaticContact CD2-NE2 3.96Å; F160-H164 AromaticContact CE2-CD2 3.69Å; F160-H164 PolarHBondContact O-CD2 2.72Å; F160-H164 VanDerWaalsContact O-CD2 3.32Å; F160-H164 PolarHBondContact O-N 2.77Å
165	Y	97.1	Very high	95.5	Very high	39 Å²	39	73.8 Å²	73.8	15%	0.153	38%	0.38	C	S	.	.	S	Bend	trans	-128.4	9.8	-176.2	-53.5	-57.1	0	0	0	113.2	I131 F134 N135 L138 P145 F160 L161 L167	I131-Y165 HydrophobicContact CD1-CE1 4.09Å; I131-Y165 HydrophobicContact CD1-CE2 4.33Å; I131-Y165 WeakPolarHBondContact CD1-OH 3.5Å; F134-Y165 AromaticContact CD1-CE2 3.48Å; F134-Y165 HydrophobicContact CD1-CE2 3.48Å; F134-Y165 VanDerWaalsContact CD1-CE2 3.48Å; F134-Y165 AromaticContact CD1-CZ 3.64Å; F134-Y165 WeakPolarHBondContact CD1-OH 3.43Å; F134-Y165 HydrophobicContact CE1-CD2 4.4Å; F134-Y165 AromaticContact CE1-CE2 3.65Å; F134-Y165 HydrophobicContact CE1-CE2 3.65Å; F134-Y165 HydrophobicContact CG-CE2 4.14Å; F134-Y165 HydrophobicContact CZ-CE2 4.44Å; N135-Y165 PolarHBondContact OD1-OH 3.31Å; L138-Y165 HydrophobicContact CD1-CE1 3.79Å; L138-Y165 HydrophobicContact CD1-CE2 4.44Å; P145-Y165 HydrophobicContact CB-CD1 4.23Å; P145-Y165 HydrophobicContact CB-CD2 3.94Å; P145-Y165 HydrophobicContact CB-CE2 4.41Å; P145-Y165 HydrophobicContact CB-CG 3.84Å; P145-Y165 HydrophobicContact CG-CD1 3.71Å; P145-Y165 HydrophobicContact CG-CD2 4.29Å; P145-Y165 HydrophobicContact CG-CE1 4.35Å; P145-Y165 HydrophobicContact CG-CG 3.67Å; F160-Y165 AromaticContact CE1-CE2 3.98Å; F160-Y165 HydrophobicContact CE1-CE2 3.98Å; F160-Y165 HydrophobicContact CZ-CE2 4.39Å; L161-Y165 HydrophobicContact CD2-CD2 3.9Å; L161-Y165 HydrophobicContact CD2-CE2 4.31Å; L161-Y165 CarbonylContact O-C 3.59Å; L161-Y165 WeakPolarHBondContact O-CA 3.46Å; L161-Y165 PolarHBondContact O-N 3.18Å; Y165-L167 PolarHBondContact O-N 3.31Å
166	N	96.4	Very high	95.4	Very high	118 Å²	118	72.4 Å²	72.4	63%	0.631	37%	0.368	S	S	*	.			trans	55.8	16	-177.1	-64.8	-46.7	0	0	0	115.6	L161 R168	L161-N166 PolarHBondContact O-N 3.21Å; N166-R168 PolarHBondContact O-N 2.95Å
167	L	95.6	Very high	95.4	Very high	10 Å²	10	67.6 Å²	67.6	5%	0.052	35%	0.348	C	S	.	.			trans	-73.7	101.4	-179	-60.3	-177	0	0	0	110.7	P145 V146 Y150 L161 A162 Y165 F180	P145-L167 HydrophobicContact CB-CD1 4.19Å; V146-L167 HydrophobicContact CB-CD2 3.74Å; V146-L167 HydrophobicContact CG2-CD2 3.57Å; Y150-L167 HydrophobicContact CE2-CD1 4.45Å; L161-L167 HydrophobicContact CB-CB 4.09Å; L161-L167 HydrophobicContact CB-CD1 4.32Å; L161-L167 HydrophobicContact CD2-CD1 4.44Å; L161-L167 PolarHBondContact O-N 3.22Å; A162-L167 VanDerWaalsContact CA-O 3.29Å; A162-L167 WeakPolarHBondContact CA-O 3.36Å; A162-L167 WeakPolarHBondContact CB-O 3.44Å; A162-L167 PolarHBondContact N-O 3.07Å; Y165-L167 PolarHBondContact O-N 3.31Å; L167-F180 HydrophobicContact CB-CD1 3.8Å; L167-F180 HydrophobicContact CB-CD2 4.01Å; L167-F180 HydrophobicContact CB-CE1 3.72Å; L167-F180 HydrophobicContact CB-CE2 3.92Å; L167-F180 HydrophobicContact CB-CG 3.96Å; L167-F180 HydrophobicContact CB-CZ 3.77Å; L167-F180 HydrophobicContact CD1-CD2 3.9Å; L167-F180 HydrophobicContact CD1-CE2 3.97Å; L167-F180 HydrophobicContact CD1-CG 4.49Å; L167-F180 HydrophobicContact CD2-CB 4.31Å; L167-F180 HydrophobicContact CD2-CD2 4.4Å; L167-F180 HydrophobicContact CD2-CG 4.22Å; L167-F180 HydrophobicContact CG-CD2 4.33Å; L167-F180 HydrophobicContact CG-CG 4.45Å; L167-F180 WeakPolarHBondContact O-CE1 3.37Å
168	R	93.5	Very high	95.3	Very high	178 Å²	178	68.3 Å²	68.3	67%	0.672	35%	0.352	S	S	*	.			trans	-122.8	-41.3	-175.5	-65.1	179.6	-172.4	-176.2	6.2	113.7	A162 N166 S170	A162-R168 HydrophobicContact CB-CG 3.9Å; N166-R168 PolarHBondContact O-N 2.95Å; R168-S170 PolarHBondContact O-N 2.82Å
169	Q	91.5	Very high	95.3	Very high	122 Å²	122	65.2 Å²	65.2	57%	0.57	34%	0.336	S	S	*	.			trans	-88.3	90.6	-176.8	-69.8	162	-91.6	0	0	110.7	F180 E181	Q169-F180 CarbonylContact O-C 3.49Å; Q169-F180 WeakPolarHBondContact O-CA 3.4Å; Q169-F180 WeakPolarHBondContact O-CD1 3.48Å; Q169-E181 HydrophobicContact CB-CB 4.43Å; Q169-E181 VanDerWaalsContact CB-CD 3.47Å; Q169-E181 HydrophobicContact CB-CG 3.76Å; Q169-E181 WeakPolarHBondContact CB-OE2 3.36Å; Q169-E181 VanDerWaalsContact NE2-CD 3.27Å; Q169-E181 PolarHBondContact NE2-OE1 3.05Å; Q169-E181 VanDerWaalsContact NE2-OE1 3.11Å; Q169-E181 PolarHBondContact NE2-OE2 3.16Å; Q169-E181 PolarHBondContact O-N 2.74Å
170	S	93.4	Very high	95.1	Very high	62 Å²	62	62.5 Å²	62.5	43%	0.434	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	132.8	172	54	0	0	0	0	111.3	R168 A179	R168-S170 PolarHBondContact O-N 2.82Å; S170-A179 WeakPolarHBondContact CA-O 3.48Å
171	V	91.8	Very high	94.7	Very high	9 Å²	9	62.9 Å²	62.9	6%	0.055	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	123.8	172.2	-177.5	0	0	0	0	108.8	L101 Q173 A179 E181 F184	L101-V171 WeakPolarHBondContact O-CG1 3.23Å; V171-Q173 WeakPolarHBondContact O-CG 3.47Å; V171-Q173 PolarHBondContact O-N 3.42Å; V171-Q173 PolarHBondContact O-NE2 2.91Å; V171-A179 PolarHBondContact N-O 3.25Å; V171-E181 HydrophobicContact CG2-CG 4.11Å; V171-F184 HydrophobicContact CB-CE2 4.1Å; V171-F184 HydrophobicContact CG1-CE2 4.49Å; V171-F184 HydrophobicContact CG2-CD2 4.18Å; V171-F184 HydrophobicContact CG2-CE2 3.77Å
172	P	91.2	Very high	94.2	Very high	110 Å²	110	66.6 Å²	66.6	71%	0.714	34%	0.335	S	S	*	.	P	Polyproline II helix	trans	-55.9	135.1	-179.9	-26.4	35.4	0	0	0	112.9
173	Q	94.4	Very high	93.9	Very high	36 Å²	36	65.6 Å²	65.6	17%	0.168	33%	0.326	C	S	.	.			trans	-119.5	149.7	-179.5	-57.9	-57.9	-53.4	0	0	110.8	L100 L101 V171 F177	L100-Q173 VanDerWaalsContact CA-OE1 3.27Å; L101-Q173 PolarHBondContact O-NE2 3.04Å; V171-Q173 WeakPolarHBondContact O-CG 3.47Å; V171-Q173 PolarHBondContact O-N 3.42Å; V171-Q173 PolarHBondContact O-NE2 2.91Å; Q173-F177 WeakPolarHBondContact CB-O 3.04Å; Q173-F177 VanDerWaalsContact CG-O 3.23Å; Q173-F177 WeakPolarHBondContact CG-O 3.23Å
174	V	92.8	Very high	93.4	Very high	117 Å²	117	57.5 Å²	57.5	71%	0.709	30%	0.296	S	S	*	.	S	Bend	trans	-86.9	-14.2	168.6	-68.8	0	0	0	0	112.9	L101	L101-V174 HydrophobicContact CD1-CG1 3.92Å; L101-V174 HydrophobicContact CD1-CG2 4.13Å
175	N	92.6	Very high	92.8	Very high	42 Å²	42	58.4 Å²	58.4	23%	0.225	30%	0.3	C	S	.	.	S	Bend	trans	-89.6	177.1	169.2	66.4	57.9	0	0	0	110	F99 F177	F99-N175 PolarHBondContact O-ND2 3.03Å; N175-F177 VanDerWaalsContact C-N 3.3Å; N175-F177 PolarHBondContact O-N 3.28Å; N175-F177 WeakPolarHBondContact OD1-CA 3.3Å; N175-F177 VanDerWaalsContact OD1-CB 3.3Å; N175-F177 WeakPolarHBondContact OD1-CB 3.44Å; N175-F177 PolarHBondContact OD1-N 2.98Å
176	N	93.4	Very high	92	Very high	92 Å²	92	60.1 Å²	60.1	49%	0.492	31%	0.309	S	S	.	.	S	Bend	trans	-86.7	7.1	-177.1	-63.6	-93.1	0	0	0	114.4	R152	R152-N176 HydrophobicContact CG-CB 3.78Å; R152-N176 PolarHBondContact N-O 3.45Å; R152-N176 PolarHBondContact NE-OD1 2.64Å; R152-N176 VanDerWaalsContact NH2-CG 3.28Å; R152-N176 PolarHBondContact NH2-ND2 3.38Å; R152-N176 PolarHBondContact NH2-OD1 3.49Å
177	F	96.9	Very high	91.2	Very high	25 Å²	25	58.5 Å²	58.5	11%	0.11	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	155.8	179.8	-70.4	-108	0	0	0	111.1	K96 L98 C114 L116 A149 Y150 D151 Q173 N175	K96-F177 HydrophobicContact CG-CZ 4.38Å; L98-F177 HydrophobicContact CD1-CB 4.36Å; L98-F177 HydrophobicContact CD1-CD1 3.72Å; L98-F177 HydrophobicContact CD1-CD2 4.35Å; L98-F177 HydrophobicContact CD1-CE1 4.08Å; L98-F177 HydrophobicContact CD1-CG 3.88Å; L98-F177 HydrophobicContact CD2-CD1 4.35Å; L98-F177 HydrophobicContact CD2-CD2 3.72Å; L98-F177 HydrophobicContact CD2-CE1 4.24Å; L98-F177 HydrophobicContact CD2-CE2 3.63Å; L98-F177 HydrophobicContact CD2-CG 4.12Å; L98-F177 HydrophobicContact CD2-CZ 3.91Å; C114-F177 HydrophobicContact CB-CE1 4.02Å; L116-F177 HydrophobicContact CD2-CE1 4.12Å; L116-F177 HydrophobicContact CD2-CZ 4.37Å; A149-F177 HydrophobicContact CB-CD1 4.14Å; Y150-F177 CarbonylContact O-C 3.49Å; Y150-F177 WeakPolarHBondContact O-CA 3.43Å; D151-F177 HydrophobicContact CB-CD1 4Å; D151-F177 HydrophobicContact CB-CE1 3.54Å; D151-F177 HydrophobicContact CB-CE2 4.43Å; D151-F177 HydrophobicContact CB-CZ 3.76Å; Q173-F177 WeakPolarHBondContact CB-O 3.04Å; Q173-F177 VanDerWaalsContact CG-O 3.23Å; Q173-F177 WeakPolarHBondContact CG-O 3.23Å; N175-F177 VanDerWaalsContact C-N 3.3Å; N175-F177 PolarHBondContact O-N 3.28Å; N175-F177 WeakPolarHBondContact OD1-CA 3.3Å; N175-F177 VanDerWaalsContact OD1-CB 3.3Å; N175-F177 WeakPolarHBondContact OD1-CB 3.44Å; N175-F177 PolarHBondContact OD1-N 2.98Å
178	V	97.1	Very high	90.1	Very high	31 Å²	31	61 Å²	61	19%	0.188	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	134.2	169.4	175.7	0	0	0	0	109.2	Y150 P153 F180	Y150-V178 PolarHBondContact N-O 3.35Å; Y150-V178 PolarHBondContact O-N 3.16Å; P153-V178 HydrophobicContact CG-CB 3.85Å; P153-V178 HydrophobicContact CG-CG2 3.55Å; V178-F180 HydrophobicContact CG1-CE2 4.19Å; V178-F180 HydrophobicContact CG1-CZ 4.16Å
179	A	95.8	Very high	89	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	150.6	168.7	0	0	0	0	0	109.3	L100 S170 V171 F183 F184	L100-A179 HydrophobicContact CD1-CB 3.94Å; S170-A179 WeakPolarHBondContact CA-O 3.48Å; V171-A179 PolarHBondContact N-O 3.25Å; A179-F183 HydrophobicContact CB-CG 4.49Å; A179-F184 HydrophobicContact CB-CE2 4.36Å; A179-F184 HydrophobicContact CB-CZ 4.46Å
180	F	94.7	Very high	87.9	Confident	5 Å²	5	52.8 Å²	52.8	2%	0.022	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	157.9	-176.3	-66.9	-86.4	0	0	0	111.7	V146 Y150 L158 L161 L167 Q169 V178 D182 F183	V146-F180 HydrophobicContact CG2-CB 4.16Å; Y150-F180 HydrophobicContact CD2-CD2 4.37Å; Y150-F180 AromaticContact CD2-CE2 3.89Å; Y150-F180 HydrophobicContact CD2-CE2 3.89Å; Y150-F180 HydrophobicContact CE2-CD2 4.05Å; Y150-F180 AromaticContact CE2-CE2 3.74Å; Y150-F180 HydrophobicContact CE2-CE2 3.74Å; L158-F180 HydrophobicContact CD2-CZ 4.45Å; L161-F180 HydrophobicContact CD1-CE2 4.14Å; L161-F180 HydrophobicContact CD1-CZ 4.28Å; L167-F180 HydrophobicContact CB-CD1 3.8Å; L167-F180 HydrophobicContact CB-CD2 4.01Å; L167-F180 HydrophobicContact CB-CE1 3.72Å; L167-F180 HydrophobicContact CB-CE2 3.92Å; L167-F180 HydrophobicContact CB-CG 3.96Å; L167-F180 HydrophobicContact CB-CZ 3.77Å; L167-F180 HydrophobicContact CD1-CD2 3.9Å; L167-F180 HydrophobicContact CD1-CE2 3.97Å; L167-F180 HydrophobicContact CD1-CG 4.49Å; L167-F180 HydrophobicContact CD2-CB 4.31Å; L167-F180 HydrophobicContact CD2-CD2 4.4Å; L167-F180 HydrophobicContact CD2-CG 4.22Å; L167-F180 HydrophobicContact CG-CD2 4.33Å; L167-F180 HydrophobicContact CG-CG 4.45Å; L167-F180 WeakPolarHBondContact O-CE1 3.37Å; Q169-F180 CarbonylContact O-C 3.49Å; Q169-F180 WeakPolarHBondContact O-CA 3.4Å; Q169-F180 WeakPolarHBondContact O-CD1 3.48Å; V178-F180 HydrophobicContact CG1-CE2 4.19Å; V178-F180 HydrophobicContact CG1-CZ 4.16Å; F180-D182 VanDerWaalsContact C-N 3.35Å; F180-D182 PolarHBondContact O-N 3.26Å; F180-F183 WeakPolarHBondContact O-CB 3.48Å; F180-F183 PolarHBondContact O-N 3Å; F180-F183 VanDerWaalsContact O-N 3.08Å
181	E	88.9	Confident	86.4	Confident	39 Å²	39	54.3 Å²	54.3	18%	0.182	30%	0.297	C	S	.	.	H	α-helix	trans	-47.8	-49.4	-173.8	-78	-176.7	14.5	0	0	114	R103 Q169 V171 F183 F184 H185	R103-E181 IonicContact CZ-OE1 3.08Å; R103-E181 IonicContact CZ-OE2 3.88Å; R103-E181 IonicContact NH1-OE1 2.72Å; R103-E181 PolarHBondContact NH1-OE1 3.17Å; R103-E181 IonicContact NH1-OE2 3.02Å; R103-E181 PolarHBondContact NH1-OE2 2.95Å; R103-E181 IonicContact NH2-OE1 2.77Å; R103-E181 PolarHBondContact NH2-OE1 3.08Å; Q169-E181 HydrophobicContact CB-CB 4.43Å; Q169-E181 VanDerWaalsContact CB-CD 3.47Å; Q169-E181 HydrophobicContact CB-CG 3.76Å; Q169-E181 WeakPolarHBondContact CB-OE2 3.36Å; Q169-E181 VanDerWaalsContact NE2-CD 3.27Å; Q169-E181 PolarHBondContact NE2-OE1 3.05Å; Q169-E181 VanDerWaalsContact NE2-OE1 3.11Å; Q169-E181 PolarHBondContact NE2-OE2 3.16Å; Q169-E181 PolarHBondContact O-N 2.74Å; V171-E181 HydrophobicContact CG2-CG 4.11Å; E181-F183 PolarHBondContact O-N 3.36Å; E181-F184 PolarHBondContact O-N 3.25Å; E181-H185 PolarHBondContact O-CE1 3.45Å; E181-H185 PolarHBondContact O-ND1 2.55Å
182	D	88.4	Confident	84.9	Confident	77 Å²	77	60 Å²	60	41%	0.412	33%	0.326	S	S	.	.	H	α-helix	trans	-72.3	-11.5	-173.1	-37.8	-58.4	0	0	0	113.9	V146 F180 F184 H185 K186	V146-D182 HydrophobicContact CG1-CB 4.41Å; V146-D182 HydrophobicContact CG2-CB 3.7Å; F180-D182 VanDerWaalsContact C-N 3.35Å; F180-D182 PolarHBondContact O-N 3.26Å; D182-F184 PolarHBondContact O-N 2.84Å; D182-H185 PolarHBondContact O-N 3.46Å; D182-K186 WeakPolarHBondContact O-CB 3.11Å; D182-K186 PolarHBondContact O-N 2.95Å
183	F	90.9	Very high	83.4	Confident	3 Å²	3	63.9 Å²	63.9	1%	0.013	33%	0.326	C	S	.	.	H	α-helix	trans	-50.3	-49.7	171.6	177.4	-88.8	0	0	0	110.2	L100 V110 P112 V146 L147 A179 F180 E181 R187	L100-F183 HydrophobicContact CD1-CD1 4.32Å; L100-F183 HydrophobicContact CD1-CE1 3.7Å; L100-F183 HydrophobicContact CD1-CZ 3.9Å; V110-F183 HydrophobicContact CG1-CE1 4.39Å; V110-F183 HydrophobicContact CG2-CE1 4.38Å; V110-F183 HydrophobicContact CG2-CZ 4.2Å; P112-F183 HydrophobicContact CB-CE2 3.81Å; P112-F183 HydrophobicContact CB-CZ 3.97Å; P112-F183 HydrophobicContact CG-CE2 4.33Å; P112-F183 HydrophobicContact CG-CZ 4.18Å; V146-F183 WeakPolarHBondContact O-CA 3.45Å; V146-F183 WeakPolarHBondContact O-CB 3.46Å; L147-F183 WeakPolarHBondContact O-CE2 3.39Å; A179-F183 HydrophobicContact CB-CG 4.49Å; F180-F183 WeakPolarHBondContact O-CB 3.48Å; F180-F183 PolarHBondContact O-N 3Å; F180-F183 VanDerWaalsContact O-N 3.08Å; E181-F183 PolarHBondContact O-N 3.36Å; F183-R187 WeakPolarHBondContact O-CB 3.3Å; F183-R187 PolarHBondContact O-N 3.27Å; F183-R187 VanDerWaalsContact O-N 3.12Å
184	F	88.2	Confident	81.5	Confident	24 Å²	24	71.4 Å²	71.4	11%	0.105	35%	0.353	C	S	.	.	H	α-helix	trans	-71	-40.2	-177.8	-57.1	-84.5	0	0	0	111.5	L100 L101 D102 I108 V171 A179 E181 D182 R187 A188	L100-F184 HydrophobicContact CB-CE1 4.16Å; L100-F184 HydrophobicContact CB-CZ 4.15Å; L100-F184 HydrophobicContact CD1-CZ 4.37Å; L101-F184 WeakPolarHBondContact O-CZ 3.46Å; D102-F184 HydrophobicContact CB-CD1 3.97Å; D102-F184 HydrophobicContact CB-CE1 4.13Å; D102-F184 HydrophobicContact CB-CG 4.45Å; I108-F184 HydrophobicContact CD1-CD1 4.04Å; I108-F184 HydrophobicContact CD1-CE1 4.37Å; V171-F184 HydrophobicContact CB-CE2 4.1Å; V171-F184 HydrophobicContact CG1-CE2 4.49Å; V171-F184 HydrophobicContact CG2-CD2 4.18Å; V171-F184 HydrophobicContact CG2-CE2 3.77Å; A179-F184 HydrophobicContact CB-CE2 4.36Å; A179-F184 HydrophobicContact CB-CZ 4.46Å; E181-F184 PolarHBondContact O-N 3.25Å; D182-F184 PolarHBondContact O-N 2.84Å; F184-R187 PolarHBondContact O-N 3.44Å; F184-A188 WeakPolarHBondContact O-CB 3.37Å; F184-A188 PolarHBondContact O-N 3.13Å
185	H	84.5	Confident	79.8	Confident	87 Å²	87	71.6 Å²	71.6	40%	0.403	36%	0.355	S	S	.	.	H	α-helix	trans	-68.6	-50.4	-176.9	-59.1	69.3	0	0	0	111.2	R103 E181 D182 R187 A188 V189	R103-H185 PolarHBondContact NE-CE1 3.01Å; R103-H185 VanDerWaalsContact NE-CE1 3.3Å; R103-H185 PolarHBondContact NH2-CE1 2.86Å; R103-H185 PolarHBondContact NH2-NE2 3.25Å; E181-H185 PolarHBondContact O-CE1 3.45Å; E181-H185 PolarHBondContact O-ND1 2.55Å; D182-H185 PolarHBondContact O-N 3.46Å; H185-R187 VanDerWaalsContact C-N 3.32Å; H185-R187 PolarHBondContact O-N 3.42Å; H185-A188 PolarHBondContact O-N 3.2Å; H185-V189 WeakPolarHBondContact O-CG2 3.34Å; H185-V189 PolarHBondContact O-N 3.3Å; H185-V189 VanDerWaalsContact O-N 3.1Å
186	K	80.2	Confident	77.4	Confident	76 Å²	76	78.7 Å²	78.7	33%	0.33	38%	0.383	S	S	.	.	H	α-helix	trans	-67.3	-32.8	177.8	-67.7	-168.6	178.4	-178	0	112.2	E144 V146 L147 D182 S190	E144-K186 IonicContact OE1-NZ 3.7Å; E144-K186 PolarHBondContact OE1-NZ 2.7Å; E144-K186 WeakPolarHBondContact OE2-CD 3.23Å; E144-K186 WeakPolarHBondContact OE2-CE 3.4Å; E144-K186 IonicContact OE2-NZ 3.67Å; E144-K186 PolarHBondContact OE2-NZ 2.83Å; V146-K186 HydrophobicContact CG1-CD 3.87Å; L147-K186 HydrophobicContact CD2-CB 3.87Å; D182-K186 WeakPolarHBondContact O-CB 3.11Å; D182-K186 PolarHBondContact O-N 2.95Å; K186-S190 WeakPolarHBondContact O-CB 3.37Å; K186-S190 PolarHBondContact O-N 2.9Å; K186-S190 PolarHBondContact O-OG 2.91Å
187	R	78.7	Confident	75.1	Confident	84 Å²	84	82.6 Å²	82.6	32%	0.317	40%	0.396	S	S	.	.	H	α-helix	trans	-65.3	-45.1	172.7	-171.6	176.1	-177.2	93.6	-1.9	111.8	V110 F183 F184 H185 S190 Q191	V110-R187 VanDerWaalsContact CG1-CZ 3.49Å; F183-R187 WeakPolarHBondContact O-CB 3.3Å; F183-R187 PolarHBondContact O-N 3.27Å; F183-R187 VanDerWaalsContact O-N 3.12Å; F184-R187 PolarHBondContact O-N 3.44Å; H185-R187 VanDerWaalsContact C-N 3.32Å; H185-R187 PolarHBondContact O-N 3.42Å; R187-S190 PolarHBondContact O-N 3.45Å; R187-Q191 WeakPolarHBondContact O-CG 3.44Å; R187-Q191 PolarHBondContact O-N 2.93Å
188	A	73.6	Confident	73	Confident	63 Å²	63	86.8 Å²	86.8	52%	0.521	43%	0.428	S	S	.	.	H	α-helix	trans	-59.3	-48.3	176.5	0	0	0	0	0	111.9	F184 H185 S190 Q191 L192	F184-A188 WeakPolarHBondContact O-CB 3.37Å; F184-A188 PolarHBondContact O-N 3.13Å; H185-A188 PolarHBondContact O-N 3.2Å; A188-S190 VanDerWaalsContact C-N 3.3Å; A188-S190 PolarHBondContact O-N 2.97Å; A188-Q191 PolarHBondContact O-N 3.02Å; A188-L192 PolarHBondContact O-N 2.95Å
189	V	69.1	Low	70.5	Confident	70 Å²	70	92.1 Å²	92.1	42%	0.424	46%	0.456	S	S	.	.	H	α-helix	trans	-59.6	-39.4	175.2	174	0	0	0	0	111.9	H185 L192 R193	H185-V189 WeakPolarHBondContact O-CG2 3.34Å; H185-V189 PolarHBondContact O-N 3.3Å; H185-V189 VanDerWaalsContact O-N 3.1Å; V189-L192 PolarHBondContact O-N 2.86Å; V189-R193 WeakPolarHBondContact O-CG 3.47Å; V189-R193 PolarHBondContact O-N 3Å
190	S	68.4	Low	68.3	Low	57 Å²	57	94.9 Å²	94.9	40%	0.399	48%	0.484	S	S	.	.	H	α-helix	trans	-67.6	-37	179.4	-61	0	0	0	0	113	K186 R187 A188 R194	K186-S190 WeakPolarHBondContact O-CB 3.37Å; K186-S190 PolarHBondContact O-N 2.9Å; K186-S190 PolarHBondContact O-OG 2.91Å; R187-S190 PolarHBondContact O-N 3.45Å; A188-S190 VanDerWaalsContact C-N 3.3Å; A188-S190 PolarHBondContact O-N 2.97Å; S190-R194 PolarHBondContact O-N 3.4Å
191	Q	63.7	Low	66.2	Low	94 Å²	94	101.6 Å²	101.6	44%	0.439	52%	0.52	S	S	.	.	H	α-helix	trans	-71.2	-42.8	174.9	-62.5	-69.9	48	0	0	111.3	R187 A188 R193 R194 V195	R187-Q191 WeakPolarHBondContact O-CG 3.44Å; R187-Q191 PolarHBondContact O-N 2.93Å; A188-Q191 PolarHBondContact O-N 3.02Å; Q191-R193 VanDerWaalsContact C-N 3.26Å; Q191-R193 PolarHBondContact O-N 2.9Å; Q191-R194 WeakPolarHBondContact O-CA 3.49Å; Q191-R194 WeakPolarHBondContact O-CB 3.43Å; Q191-R194 PolarHBondContact O-N 3.01Å; Q191-V195 PolarHBondContact O-N 3.17Å; Q191-V195 VanDerWaalsContact O-N 3.09Å
192	L	58.5	Low	64.4	Low	129 Å²	129	106.6 Å²	106.6	68%	0.675	55%	0.547	S	S	*	.	H	α-helix	trans	-59.2	-37.9	176.4	-173.1	63	0	0	0	112.1	A188 V189 R194 V195 K196	A188-L192 PolarHBondContact O-N 2.95Å; V189-L192 PolarHBondContact O-N 2.86Å; L192-R194 VanDerWaalsContact C-N 3.33Å; L192-R194 PolarHBondContact O-N 3.44Å; L192-V195 PolarHBondContact O-N 2.99Å; L192-K196 PolarHBondContact O-N 3.35Å
193	R	59.8	Low	62.5	Low	190 Å²	190	111.5 Å²	111.5	72%	0.717	56%	0.564	S	S	*	*	H	α-helix	trans	-67.8	-25.9	172.7	-74.2	175.7	178.5	-178.2	-0.3	114	V189 Q191	V189-R193 WeakPolarHBondContact O-CG 3.47Å; V189-R193 PolarHBondContact O-N 3Å; Q191-R193 VanDerWaalsContact C-N 3.26Å; Q191-R193 PolarHBondContact O-N 2.9Å
194	R	55.9	Low	60.5	Low	194 Å²	194	116.7 Å²	116.7	73%	0.732	60%	0.599	S	S	*	*	H	α-helix	trans	-78.6	-34.5	175.4	-77.7	-179.6	171	-165.8	-3.6	112.8	S190 Q191 L192 K196	S190-R194 PolarHBondContact O-N 3.4Å; Q191-R194 WeakPolarHBondContact O-CA 3.49Å; Q191-R194 WeakPolarHBondContact O-CB 3.43Å; Q191-R194 PolarHBondContact O-N 3.01Å; L192-R194 VanDerWaalsContact C-N 3.33Å; L192-R194 PolarHBondContact O-N 3.44Å; R194-K196 VanDerWaalsContact C-N 3.28Å; R194-K196 PolarHBondContact O-N 2.86Å
195	V	56.3	Low	58.1	Low	122 Å²	122	125.6 Å²	125.6	74%	0.739	63%	0.633	S	S	*	*	H	α-helix	trans	-66.3	-31.1	174.3	177.8	0	0	0	0	111.4	Q191 L192 K197	Q191-V195 PolarHBondContact O-N 3.17Å; Q191-V195 VanDerWaalsContact O-N 3.09Å; L192-V195 PolarHBondContact O-N 2.99Å; V195-K197 PolarHBondContact O-N 2.76Å
196	K	43.5	Very low	56.4	Low	191 Å²	191	127 Å²	127	83%	0.83	65%	0.652	S	S	*	*			trans	-83.9	46.2	179.9	-154.9	172.1	-177.6	174.5	0	114.2	L192 R194	L192-K196 PolarHBondContact O-N 3.35Å; R194-K196 VanDerWaalsContact C-N 3.28Å; R194-K196 PolarHBondContact O-N 2.86Å
197	K	45	Very low	55.1	Low	174 Å²	174	130.3 Å²	130.3	76%	0.757	67%	0.673	S	S	*	*	S	Bend	trans	-117.7	98.2	164.6	-82.5	-162.2	171.8	-166.1	0	109.7	V195 D199	V195-K197 PolarHBondContact O-N 2.76Å; K197-D199 PolarHBondContact O-N 3.24Å
198	S	51	Low	53.6	Low	113 Å²	113	134.1 Å²	134.1	79%	0.79	70%	0.697	S	S	*	*			trans	28.2	85.3	167.3	59	0	0	0	0	115.2	G200	S198-G200 PolarHBondContact O-N 3.08Å
199	D	45	Very low	52.2	Low	142 Å²	142	140.2 Å²	140.2	76%	0.759	71%	0.714	S	S	*	*			trans	-56.2	117.3	146.4	-171.6	21.2	0	0	0	106.6	K197	K197-D199 PolarHBondContact O-N 3.24Å
200	G	51.2	Low	51.4	Low	58 Å²	58	149 Å²	149	60%	0.598	74%	0.74	S	S	*	*			trans	-88.6	115.6	-170.4	0	0	0	0	0	109.8	S198 I202	S198-G200 PolarHBondContact O-N 3.08Å; G200-I202 PolarHBondContact O-N 2.85Å; G200-I202 VanDerWaalsContact O-N 3.12Å
201	D	48.8	Very low	50.3	Low	147 Å²	147	155.5 Å²	155.5	79%	0.786	76%	0.764	S	S	*	*			trans	-22.2	104.5	-172.3	-63.5	-47.2	0	0	0	114.6	K203	D201-K203 PolarHBondContact O-N 3.19Å
202	I	52.9	Low	49.4	Very low	143 Å²	143	155.2 Å²	155.2	73%	0.733	78%	0.777	S	S	*	*			trans	-68.9	83.5	172.4	-53.5	179.9	0	0	0	108.2	G200 P204	G200-I202 PolarHBondContact O-N 2.85Å; G200-I202 VanDerWaalsContact O-N 3.12Å; I202-P204 VanDerWaalsContact O-CD 3.29Å; I202-P204 WeakPolarHBondContact O-CD 3.39Å
203	K	47.6	Very low	49	Very low	180 Å²	180	155.5 Å²	155.5	78%	0.783	79%	0.785	S	S	*	*			trans	-63.2	117.5	176.8	-72.5	-175.8	177.9	-179.8	0	109.7	D201 Y205	D201-K203 PolarHBondContact O-N 3.19Å; K203-Y205 PolarHBondContact O-N 2.85Å
204	P	49.8	Very low	48.3	Very low	113 Å²	113	157.9 Å²	157.9	73%	0.734	79%	0.793	S	S	*	*			trans	-71.1	130.1	173.3	29.6	-32.8	0	0	0	109.7	I202	I202-P204 VanDerWaalsContact O-CD 3.29Å; I202-P204 WeakPolarHBondContact O-CD 3.39Å
205	Y	37.8	Very low	48	Very low	210 Å²	210	156.8 Å²	156.8	82%	0.824	80%	0.797	S	S	*	*			trans	54	100.9	168.7	-74.4	-97.1	0	0	0	117.7	K203	K203-Y205 PolarHBondContact O-N 2.85Å
206	S	48	Very low	47.5	Very low	116 Å²	116	159.6 Å²	159.6	81%	0.811	80%	0.802	S	S	*	*			trans	-96.1	118.2	140	-174	0	0	0	0	107.8	M208	S206-M208 PolarHBondContact O-N 3.06Å
207	L	52.4	Low	47.7	Very low	147 Å²	147	159.7 Å²	159.7	77%	0.77	81%	0.805	S	S	*	*			trans	-100.3	75.4	-173.5	-157	174.7	0	0	0	110
208	M	47.8	Very low	47.9	Very low	164 Å²	164	162.8 Å²	162.8	81%	0.808	81%	0.812	S	S	*	*			trans	-150.1	157.7	171.5	-149.3	62.7	69.3	0	0	110	S206	S206-M208 PolarHBondContact O-N 3.06Å
209	E	43.4	Very low	48.1	Very low	191 Å²	191	163.3 Å²	163.3	89%	0.893	81%	0.811	S	S	*	*			trans	68.5	84.1	-171.2	-59.2	-158.1	117.9	0	0	116
210	R	52.7	Low	48.7	Very low	254 Å²	254	163.7 Å²	163.7	96%	0.958	81%	0.812	S	S	*	*			trans	-125.5	40.8	164.3	-146.8	179.1	-163.4	158	5.8	112.5
211	E	45.4	Very low	49.1	Very low	193 Å²	193	166 Å²	166	90%	0.902	82%	0.817	S	S	*	*			trans	-129.3	10.4	-170	-147	148.2	-127	0	0	115.1
212	A	45.3	Very low	48.5	Very low	88 Å²	88	168.9 Å²	168.9	73%	0.727	82%	0.816	S	S	*	*	S	Bend	trans	-93	-30.6	170	0	0	0	0	0	113.6	R214	A212-R214 VanDerWaalsContact C-N 3.27Å; A212-R214 PolarHBondContact O-N 2.91Å
213	V	49	Very low	48.3	Very low	136 Å²	136	166.6 Å²	166.6	82%	0.824	81%	0.811	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.8	62.2	-170.8	-167.1	0	0	0	0	111.9
214	R	45.8	Very low	48.4	Very low	239 Å²	239	167.1 Å²	167.1	90%	0.902	81%	0.814	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.9	-12	164.7	-93.4	-170.1	171.1	-105.6	-3	115.4	A212	A212-R214 VanDerWaalsContact C-N 3.27Å; A212-R214 PolarHBondContact O-N 2.91Å
215	Q	48.8	Very low	48.5	Very low	172 Å²	172	164.3 Å²	164.3	80%	0.804	80%	0.8	S	S	*	*	S	Bend	trans	-95.1	-28.6	-171.4	-155.1	70.4	1.3	0	0	115
216	E	46.1	Very low	49.2	Very low	180 Å²	180	158.5 Å²	158.5	84%	0.841	80%	0.796	S	S	*	*	S	Bend	trans	-102	3.1	-170.1	-77.6	-160	127	0	0	116.8	R218	E216-R218 PolarHBondContact O-N 3.4Å
217	Q	47.4	Very low	49.2	Very low	193 Å²	193	159 Å²	159	90%	0.902	80%	0.796	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.7	60.9	169.3	-78.7	-167.4	-26.3	0	0	112.2
218	R	49.3	Very low	48.8	Very low	239 Å²	239	160.4 Å²	160.4	90%	0.902	80%	0.804	S	S	*	*	T	Hydrogen-bonded Turn	trans	-146.1	19.8	170.4	-132.3	-179.5	-169.1	-160	1.9	117	E216	E216-R218 PolarHBondContact O-N 3.4Å
219	T	54.7	Low	48.3	Very low	125 Å²	125	158 Å²	158	77%	0.767	80%	0.802	S	S	*	*			trans	-125.2	138	164.6	43	0	0	0	0	109.9
220	L	58.5	Low	48.3	Very low	149 Å²	149	155 Å²	155	78%	0.78	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-88.4	141.8	173	-68.3	173.2	0	0	0	109.4
221	P	59.9	Low	47.4	Very low	108 Å²	108	151.3 Å²	151.3	70%	0.701	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-65.3	157.6	173	28.3	-34.2	0	0	0	111.6
222	W	36	Very low	46.8	Very low	206 Å²	206	152 Å²	152	78%	0.78	79%	0.787	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57	152.3	178.9	-104.3	-135.2	0	0	0	112.5	A225	W222-A225 HydrophobicContact CD2-CB 4.36Å; W222-A225 HydrophobicContact CE3-CB 3.96Å; W222-A225 HydrophobicContact CH2-CB 3.36Å; W222-A225 HydrophobicContact CZ2-CB 3.78Å; W222-A225 HydrophobicContact CZ3-CB 3.45Å; W222-A225 VanDerWaalsContact CZ3-CB 3.45Å
223	P	47.7	Very low	46.3	Very low	96 Å²	96	152 Å²	152	62%	0.623	78%	0.782	S	S	*	*	T	Hydrogen-bonded Turn	cis	-110.2	18.5	20.1	40.7	-35.7	0	0	0	116.1	A225	P223-A225 PolarHBondContact O-N 3.47Å
224	F	51.2	Low	45.3	Very low	190 Å²	190	151.6 Å²	151.6	83%	0.833	78%	0.78	S	S	*	*			trans	-94.6	32.8	-170.3	-62.2	-69.1	0	0	0	115.9
225	A	51.6	Low	44.6	Very low	54 Å²	54	145.5 Å²	145.5	45%	0.446	77%	0.773	S	S	.	*	P	Polyproline II helix	trans	-87.2	118.3	173.2	0	0	0	0	0	111.1	W222 P223	W222-A225 HydrophobicContact CD2-CB 4.36Å; W222-A225 HydrophobicContact CE3-CB 3.96Å; W222-A225 HydrophobicContact CH2-CB 3.36Å; W222-A225 HydrophobicContact CZ2-CB 3.78Å; W222-A225 HydrophobicContact CZ3-CB 3.45Å; W222-A225 VanDerWaalsContact CZ3-CB 3.45Å; P223-A225 PolarHBondContact O-N 3.47Å
226	A	52.4	Low	43.9	Very low	89 Å²	89	142 Å²	142	74%	0.736	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-73.6	140.3	176.9	0	0	0	0	0	111.6	L228	A226-L228 PolarHBondContact O-N 2.95Å
227	P	47.7	Very low	43.3	Very low	127 Å²	127	141.8 Å²	141.8	83%	0.825	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-63.7	131.1	176.8	-22.4	33.8	0	0	0	112.7	S229	P227-S229 PolarHBondContact O-N 2.81Å
228	L	43.5	Very low	42.4	Very low	176 Å²	176	138 Å²	138	92%	0.921	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-72	121.1	173.1	-71	168	0	0	0	110.4	A226	A226-L228 PolarHBondContact O-N 2.95Å
229	S	37.2	Very low	41.7	Very low	112 Å²	112	131.8 Å²	131.8	78%	0.783	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-97.8	128.9	177.9	48	0	0	0	0	111.8	P227	P227-S229 PolarHBondContact O-N 2.81Å
230	P	44.8	Very low	40.5	Very low	128 Å²	128	134.7 Å²	134.7	83%	0.831	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-84.7	120.7	177.2	31.3	-32.2	0	0	0	112.4
231	H	32.1	Very low	39	Very low	177 Å²	177	132.9 Å²	132.9	82%	0.819	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-78.4	152.7	156.8	-92.1	-33.9	0	0	0	109.2
232	R	33.2	Very low	38.4	Very low	208 Å²	208	133.2 Å²	133.2	79%	0.785	76%	0.76	S	S	*	*			cis	-164.4	156	11.6	-145.9	-179	-172.8	-111.6	8.7	112.2
233	S	34.9	Very low	38.2	Very low	87 Å²	87	128.8 Å²	128.8	61%	0.608	76%	0.761	S	S	*	*			trans	74.9	154.5	155.6	-27.5	0	0	0	0	116.9
234	V	28.5	Very low	37.4	Very low	129 Å²	129	129.3 Å²	129.3	78%	0.782	77%	0.773	S	S	*	*			cis	-144.8	161.9	2.1	-136.3	0	0	0	0	110.9
235	S	30.7	Very low	36.3	Very low	110 Å²	110	124 Å²	124	77%	0.769	77%	0.772	S	S	*	*			trans	62.5	146.7	160.2	43.3	0	0	0	0	119.4
236	S	35.5	Very low	35.3	Very low	99 Å²	99	127.3 Å²	127.3	69%	0.692	79%	0.792	S	S	*	*			cis	-167.4	144.1	-12.1	46.9	0	0	0	0	112.8
237	Q	32.9	Very low	34.2	Very low	176 Å²	176	128.4 Å²	128.4	82%	0.822	80%	0.795	S	S	*	*			trans	60.8	133	149.7	-68.5	-179.4	10.9	0	0	121.9
238	C	28.6	Very low	34.2	Very low	114 Å²	114	128.4 Å²	128.4	77%	0.77	79%	0.794	S	S	*	*			trans	65.7	144.2	145.3	-62.2	0	0	0	0	119.4
239	S	33.6	Very low	33.8	Very low	107 Å²	107	131.2 Å²	131.2	75%	0.748	79%	0.793	S	S	*	*			cis	-154.7	169.5	-2.4	-107.3	0	0	0	0	113.4
240	Q	30.4	Very low	33.6	Very low	187 Å²	187	137.6 Å²	137.6	87%	0.874	80%	0.8	S	S	*	*			trans	-30.6	149.7	176.1	-58	170.6	2	0	0	119.9
241	S	27.6	Very low	33	Very low	111 Å²	111	137.3 Å²	137.3	78%	0.776	80%	0.795	S	S	*	*			trans	-72.8	-172.4	161.1	-8.6	0	0	0	0	112.5
242	P	47.4	Very low	33	Very low	114 Å²	114	136.5 Å²	136.5	74%	0.74	80%	0.796	S	S	*	*			cis	-131.5	-176.6	-24.1	38.8	-23	0	0	0	112.7
243	S	30.6	Very low	33.4	Very low	114 Å²	114	131.9 Å²	131.9	80%	0.797	79%	0.793	S	S	*	*				167.7	148.6	123.5	-78.1	0	0	0	0	117.2
244	A	30.8	Very low	33	Very low	106 Å²	106	133 Å²	133	88%	0.876	80%	0.8	S	S	*	*			trans	1.5	141.7	156.9	0	0	0	0	0	123.3
245	G	29.3	Very low	33.1	Very low	79 Å²	79	132.3 Å²	132.3	81%	0.814	80%	0.795	S	S	*	*			trans	-167.2	122.5	158.6	0	0	0	0	0	111.1
246	S	29.8	Very low	32.8	Very low	123 Å²	123	133.6 Å²	133.6	86%	0.86	80%	0.799	S	S	*	*			trans	-104.8	161	-164.1	-61.8	0	0	0	0	115.6
247	S	28.5	Very low	32.5	Very low	113 Å²	113	136.9 Å²	136.9	79%	0.79	80%	0.803	S	S	*	*			trans	-54.5	177.1	163.2	-43.8	0	0	0	0	113.4
248	P	48.8	Very low	33.3	Very low	126 Å²	126	134 Å²	134	82%	0.818	80%	0.8	S	S	*	*			cis	-145.3	-162.1	13.9	44.1	-22.3	0	0	0	116.8
249	R	34.9	Very low	33.4	Very low	236 Å²	236	132.2 Å²	132.2	89%	0.891	79%	0.793	S	S	*	*			trans	-64	148.1	176.2	-61.6	175.5	169.3	-153.8	-1.6	115.3
250	R	32.6	Very low	33.4	Very low	245 Å²	245	137 Å²	137	93%	0.925	80%	0.8	S	S	*	*			trans	-155.2	-164.5	132.9	-142	167.1	-75.9	-162.9	-1.4	112.9
251	V	31.5	Very low	33.4	Very low	122 Å²	122	133 Å²	133	74%	0.739	80%	0.8	S	S	*	*			trans	-142.3	130.3	-149.2	162.6	0	0	0	0	112.8
252	L	32.7	Very low	33.6	Very low	160 Å²	160	131.5 Å²	131.5	84%	0.838	80%	0.801	S	S	*	*			trans	58.9	169.8	164.7	-98.9	77.9	0	0	0	117.3
253	P	42.7	Very low	32.9	Very low	112 Å²	112	133.4 Å²	133.4	73%	0.727	81%	0.805	S	S	*	*			cis	-140.2	-177.8	18.6	46.2	-28.1	0	0	0	118.6
254	C	26	Very low	32.9	Very low	110 Å²	110	132.3 Å²	132.3	74%	0.743	80%	0.798	S	S	*	*			trans	49.2	120.4	146.1	-131	0	0	0	0	125.2
255	V	29.4	Very low	33	Very low	114 Å²	114	137.4 Å²	137.4	69%	0.691	80%	0.795	S	S	*	*			trans	15.5	132.3	134.2	-173.1	0	0	0	0	121.6
256	T	25.3	Very low	33.1	Very low	138 Å²	138	141 Å²	141	85%	0.847	79%	0.79	S	S	*	*			trans	-146.5	141.1	141.5	-9.5	0	0	0	0	113
257	H	28.9	Very low	33.2	Very low	168 Å²	168	143.5 Å²	143.5	78%	0.778	79%	0.788	S	S	*	*			trans	-99.6	-173.4	161.1	-77.2	-79.3	0	0	0	108.5
258	P	50.1	Low	33.4	Very low	116 Å²	116	143.4 Å²	143.4	75%	0.753	79%	0.787	S	S	*	*			cis	-141.7	-161.6	6.8	43.8	-23.2	0	0	0	116.3
259	A	31.3	Very low	33.4	Very low	75 Å²	75	142 Å²	142	62%	0.62	78%	0.778	S	S	*	*			trans	77.1	147.3	148.9	0	0	0	0	0	120.4
260	F	32.3	Very low	33.2	Very low	207 Å²	207	139.8 Å²	139.8	91%	0.908	78%	0.778	S	S	*	*			cis	-160.1	177.7	-10.8	-110.2	-41.5	0	0	0	112.5
261	A	32	Very low	33.4	Very low	104 Å²	104	133.5 Å²	133.5	86%	0.86	77%	0.771	S	S	*	*			trans	89.2	138.5	-174.9	0	0	0	0	0	114.6
262	G	31.6	Very low	34.5	Very low	79 Å²	79	133.1 Å²	133.1	81%	0.814	77%	0.771	S	S	*	*			cis	131.3	133.6	11.4	0	0	0	0	0	108.1
263	D	31.1	Very low	34.3	Very low	154 Å²	154	133.5 Å²	133.5	82%	0.824	77%	0.773	S	S	*	*			cis	-158.8	177	12.4	175.4	48.3	0	0	0	111.8
264	S	31.7	Very low	33.9	Very low	92 Å²	92	135.8 Å²	135.8	64%	0.643	78%	0.776	S	S	*	*			trans	82	82.2	155.1	-82.1	0	0	0	0	122.5
265	R	33.5	Very low	34.2	Very low	213 Å²	213	137 Å²	137	80%	0.804	78%	0.775	S	S	*	*				66.9	107.4	108.2	-160.8	177.9	-164.6	170.9	4.3	123.7
266	E	31.6	Very low	34.2	Very low	155 Å²	155	136.3 Å²	136.3	72%	0.724	78%	0.775	S	S	*	*			trans	52.7	153.1	136.7	-50.3	-177.6	115	0	0	121.5
267	Q	31.6	Very low	34.5	Very low	175 Å²	175	135.2 Å²	135.2	82%	0.818	77%	0.771	S	S	*	*			cis	-143.2	137	24.6	-65.3	171.7	4.9	0	0	114.4
268	S	32	Very low	34.7	Very low	110 Å²	110	138.4 Å²	138.4	77%	0.769	78%	0.776	S	S	*	*				23.1	151.9	123.2	-155.2	0	0	0	0	122
269	P	49.3	Very low	33.8	Very low	96 Å²	96	140.4 Å²	140.4	62%	0.623	79%	0.786	S	S	*	*			cis	-136.8	171.1	-27.7	35.7	-18.5	0	0	0	115
270	H	30.9	Very low	33.8	Very low	191 Å²	191	147.9 Å²	147.9	88%	0.884	80%	0.799	S	S	*	*				-162.3	155.4	118.8	-98.5	-66	0	0	0	109.4
271	S	35.6	Very low	33.8	Very low	113 Å²	113	149.9 Å²	149.9	79%	0.79	80%	0.8	S	S	*	*			trans	-131.2	173	-154	65.7	0	0	0	0	113.8
272	P	55.8	Low	33.8	Very low	113 Å²	113	149.8 Å²	149.8	73%	0.734	79%	0.793	S	S	*	*			trans	-117.9	-171.7	-143.4	44.5	-38.4	0	0	0	115
273	L	28.2	Very low	33.9	Very low	169 Å²	169	153.8 Å²	153.8	89%	0.885	80%	0.796	S	S	*	*			trans	-154.2	162.8	130.2	-137.8	76.3	0	0	0	112.7
274	M	34.2	Very low	34.1	Very low	160 Å²	160	151.8 Å²	151.8	79%	0.788	79%	0.794	S	S	*	*			trans	-132.5	157.4	177	-86.6	-70	-152.8	0	0	111.1
275	D	32.9	Very low	34.4	Very low	134 Å²	134	154.1 Å²	154.1	72%	0.717	80%	0.795	S	S	*	*			trans	69.6	128.2	142.8	-83.9	-47.6	0	0	0	125.2
276	C	28.3	Very low	34.7	Very low	101 Å²	101	152.4 Å²	152.4	68%	0.682	79%	0.793	S	S	*	*				64.2	108.1	129.3	-73.6	0	0	0	0	124.3
277	C	32.8	Very low	34.9	Very low	114 Å²	114	148.5 Å²	148.5	77%	0.77	80%	0.795	S	S	*	*				97.8	136.4	111.5	-77.3	0	0	0	0	123.2
278	R	33.3	Very low	35.3	Very low	236 Å²	236	148.3 Å²	148.3	89%	0.891	80%	0.798	S	S	*	*			trans	72.7	115.4	156.3	-67.3	-178.7	-179.4	-159.1	1.5	120.9
279	T	29.4	Very low	35.6	Very low	157 Å²	157	148.8 Å²	148.8	96%	0.963	80%	0.796	S	S	*	*				-150.1	-172.3	123.7	-14.2	0	0	0	0	111.8
280	R	31.7	Very low	35.3	Very low	233 Å²	233	148.9 Å²	148.9	88%	0.879	81%	0.805	S	S	*	*			trans	-135.3	140.8	-152.2	173.5	-165.7	-173.7	-160.4	6.3	112.4
281	R	32	Very low	35.7	Very low	248 Å²	248	151.3 Å²	151.3	94%	0.936	81%	0.807	S	S	*	*			trans	-156.2	179.4	156.2	-109.7	167.7	-157	-154.3	4.3	111.7
282	S	33.3	Very low	35.5	Very low	103 Å²	103	150.8 Å²	150.8	72%	0.72	80%	0.803	S	S	*	*			trans	-136.4	151.5	-142.4	48.7	0	0	0	0	116.9
283	N	33.7	Very low	34.6	Very low	162 Å²	162	150.1 Å²	150.1	87%	0.866	80%	0.801	S	S	*	*			trans	14.5	128.3	158.3	-56.9	8.5	0	0	0	120.6
284	S	34.5	Very low	34.8	Very low	113 Å²	113	150.4 Å²	150.4	79%	0.79	80%	0.803	S	S	*	*				-161.8	130.2	107.3	-158.5	0	0	0	0	114.1
285	E	39.3	Very low	34.6	Very low	141 Å²	141	152.6 Å²	152.6	66%	0.659	80%	0.803	S	S	*	*			trans	25.9	142.5	155.9	-66.3	-152.3	111.2	0	0	126.9
286	K	37.8	Very low	34.9	Very low	177 Å²	177	151.3 Å²	151.3	77%	0.77	81%	0.805	S	S	*	*			trans	73.8	106.3	142	-73.4	159.8	-176.4	150.2	0	120.4
287	G	37.8	Very low	35.3	Very low	73 Å²	73	156.5 Å²	156.5	75%	0.753	81%	0.81	S	S	*	*			trans	-134.4	162	152.4	0	0	0	0	0	111.2
288	L	39.3	Very low	35.3	Very low	171 Å²	171	158 Å²	158	90%	0.895	81%	0.806	S	S	*	*			trans	-169.9	157.7	174.4	-84.9	-178.1	0	0	0	106.8
289	V	38.5	Very low	35.4	Very low	119 Å²	119	155.4 Å²	155.4	72%	0.721	81%	0.806	S	S	*	*			cis	-160.3	155.6	-33.3	105.9	0	0	0	0	106.8
290	A	42.7	Very low	35.6	Very low	99 Å²	99	153.2 Å²	153.2	82%	0.818	79%	0.788	S	S	*	*			trans	-69.9	148.7	177.5	0	0	0	0	0	112.4
291	R	38.1	Very low	35.8	Very low	241 Å²	241	148.8 Å²	148.8	91%	0.909	78%	0.781	S	S	*	*			trans	-123.5	134.9	174.7	-70.2	-166.3	67.1	169.4	0.1	112.6
292	S	32.8	Very low	36	Very low	102 Å²	102	148 Å²	148	71%	0.713	78%	0.777	S	S	*	*			trans	-95.5	158.3	176.5	47.2	0	0	0	0	112.7
293	S	36.2	Very low	36	Very low	100 Å²	100	151.9 Å²	151.9	70%	0.699	78%	0.784	S	S	*	*			trans	36.8	137.9	146.8	62.7	0	0	0	0	121.3
294	L	33	Very low	36.1	Very low	175 Å²	175	148.5 Å²	148.5	92%	0.916	78%	0.779	S	S	*	*				-164.1	175.6	111.1	-106.8	171.4	0	0	0	113
295	Y	30	Very low	36	Very low	205 Å²	205	146.5 Å²	146.5	80%	0.804	78%	0.776	S	S	*	*			trans	-139.3	118.6	-162	-154.2	-80.2	0	0	0	110.4
296	S	39.4	Very low	35.7	Very low	107 Å²	107	147.7 Å²	147.7	75%	0.748	79%	0.786	S	S	*	*			trans	-173.2	130.7	158.1	-156.2	0	0	0	0	107.1
297	R	35.8	Very low	35.8	Very low	211 Å²	211	147.2 Å²	147.2	80%	0.796	79%	0.791	S	S	*	*			cis	71.3	109.7	46.5	-63.6	-145.2	-71.2	-171.1	-4.6	114.9
298	H	32.8	Very low	35.6	Very low	146 Å²	146	149.9 Å²	149.9	68%	0.676	79%	0.788	S	S	*	*			trans	70.6	117.3	150.1	-163.8	62.7	0	0	0	119.8	D300	H298-D300 IonicContact CE1-OD2 3.36Å; H298-D300 PolarHBondContact CE1-OD2 3.45Å
299	M	35.3	Very low	35.3	Very low	180 Å²	180	152.5 Å²	152.5	89%	0.887	79%	0.786	S	S	*	*			trans	-143.2	153.5	131.9	-94.7	-59	165.3	0	0	108.9
300	D	33.9	Very low	35	Very low	112 Å²	112	158.1 Å²	158.1	60%	0.599	79%	0.794	S	S	*	*			trans	-122.6	149.5	-174.3	-117.2	-24.9	0	0	0	111.4	H298	H298-D300 IonicContact CE1-OD2 3.36Å; H298-D300 PolarHBondContact CE1-OD2 3.45Å
301	I	34.8	Very low	34.5	Very low	140 Å²	140	159.6 Å²	159.6	72%	0.718	80%	0.798	S	S	*	*			trans	36.6	128.2	150.7	-36.8	169.6	0	0	0	119.7
302	R	36.6	Very low	34.2	Very low	230 Å²	230	151.7 Å²	151.7	87%	0.868	79%	0.791	S	S	*	*			trans	126.4	84.6	145.4	-66.4	-177.7	-148.8	-144.3	3.9	116.2
303	H	32.9	Very low	34.2	Very low	185 Å²	185	158.8 Å²	158.8	86%	0.856	80%	0.803	S	S	*	*			trans	-158.7	129	143.2	-106	-85.5	0	0	0	105.1
304	A	36.2	Very low	34.2	Very low	92 Å²	92	159.8 Å²	159.8	76%	0.76	81%	0.805	S	S	*	*			cis	66.3	111.2	33.6	0	0	0	0	0	113.3
305	G	32.9	Very low	34.9	Very low	70 Å²	70	157.3 Å²	157.3	72%	0.722	80%	0.799	S	S	*	*			cis	167.4	169.4	-3	0	0	0	0	0	112
306	L	33.7	Very low	35.1	Very low	167 Å²	167	156.3 Å²	156.3	87%	0.874	80%	0.804	S	S	*	*			trans	64.3	157.6	-173.1	-99.4	57.2	0	0	0	113.7
307	L	38.4	Very low	34.6	Very low	166 Å²	166	154.5 Å²	154.5	87%	0.869	80%	0.802	S	S	*	*			cis	-120.2	167.3	21.8	-81.1	165.7	0	0	0	115.6
308	D	35.1	Very low	34.4	Very low	130 Å²	130	152.3 Å²	152.3	70%	0.695	81%	0.806	S	S	*	*			trans	-95.1	151.6	175.8	173.6	56.5	0	0	0	111.7
309	R	31.3	Very low	34.5	Very low	226 Å²	226	152.1 Å²	152.1	85%	0.853	81%	0.806	S	S	*	*				164.8	136.1	110.3	-156	159.5	-163.6	-163.6	3.5	114.5
310	R	33.6	Very low	34.5	Very low	237 Å²	237	150 Å²	150	89%	0.894	80%	0.803	S	S	*	*			trans	-85.5	147.8	172.4	-64.4	172.1	170.3	177.8	-4.7	112.3
311	S	32.7	Very low	34.4	Very low	130 Å²	130	153.8 Å²	153.8	91%	0.909	81%	0.81	S	S	*	*			trans	-154	153	143.3	59.1	0	0	0	0	110.6
312	G	30.7	Very low	34.5	Very low	74 Å²	74	151.9 Å²	151.9	76%	0.763	82%	0.815	S	S	*	*			trans	178	159.8	176.8	0	0	0	0	0	110.7
313	R	32.5	Very low	34.4	Very low	252 Å²	252	148.9 Å²	148.9	95%	0.951	82%	0.816	S	S	*	*			trans	-164.3	148.5	169.3	-114.9	171.4	-175.5	-138	-2.2	112.4
314	T	35.7	Very low	34.1	Very low	121 Å²	121	143.6 Å²	143.6	74%	0.742	81%	0.811	S	S	*	*			trans	-89.9	171.3	168	44.7	0	0	0	0	110.7
315	P	49.3	Very low	33.7	Very low	122 Å²	122	151.2 Å²	151.2	79%	0.792	82%	0.82	S	S	*	*				-115.3	155.5	89.5	-6.3	27.5	0	0	0	111.8
316	M	33.8	Very low	33.6	Very low	184 Å²	184	157 Å²	157	91%	0.906	83%	0.825	S	S	*	*			cis	74.5	121.6	36.2	-165.9	176.7	-176.5	0	0	113
317	G	29.8	Very low	33.5	Very low	69 Å²	69	156.2 Å²	156.2	71%	0.711	82%	0.822	S	S	*	*			cis	-178.2	-168	-3.1	0	0	0	0	0	110.5
318	D	30.2	Very low	33.1	Very low	166 Å²	166	152 Å²	152	89%	0.888	82%	0.819	S	S	*	*			trans	-155.2	165.9	160.9	-140	-26.7	0	0	0	111.7
319	E	34.5	Very low	32.9	Very low	142 Å²	142	154.6 Å²	154.6	66%	0.664	83%	0.827	S	S	*	*			trans	-94.8	165.2	-155.9	-71.1	-166.2	140.8	0	0	118.2	Y321	E319-Y321 HydrophobicContact CB-CD2 4.47Å; E319-Y321 HydrophobicContact CB-CE2 3.73Å; E319-Y321 PolarHBondContact OE2-OH 3.43Å
320	T	36.3	Very low	32.7	Very low	135 Å²	135	156 Å²	156	83%	0.828	83%	0.832	S	S	*	*			trans	-94.5	130.5	175.3	50.2	0	0	0	0	113
321	Y	32.5	Very low	32.7	Very low	192 Å²	192	149.1 Å²	149.1	75%	0.753	83%	0.826	S	S	*	*			trans	-130.5	120.7	168.4	-69.9	-84.8	0	0	0	111.5	E319	E319-Y321 HydrophobicContact CB-CD2 4.47Å; E319-Y321 HydrophobicContact CB-CE2 3.73Å; E319-Y321 PolarHBondContact OE2-OH 3.43Å
322	A	36.1	Very low	32.9	Very low	99 Å²	99	149 Å²	149	82%	0.818	82%	0.819	S	S	*	*			trans	-139.9	98.4	176.6	0	0	0	0	0	110.1
323	L	34	Very low	33.4	Very low	168 Å²	168	151.7 Å²	151.7	88%	0.88	82%	0.824	S	S	*	*			trans	-137.6	131.4	171.2	-72.1	176	0	0	0	109.1
324	G	27.3	Very low	33.3	Very low	73 Å²	73	142.3 Å²	142.3	75%	0.753	81%	0.805	S	S	*	*			trans	-109.6	144.9	169.6	0	0	0	0	0	110.7
325	W	27.8	Very low	33.3	Very low	253 Å²	253	145.4 Å²	145.4	96%	0.958	82%	0.816	S	S	*	*			trans	-117.7	161.6	174.2	-82.2	-2.9	0	0	0	112
326	K	31	Very low	32.4	Very low	191 Å²	191	144.3 Å²	144.3	83%	0.83	82%	0.817	S	S	*	*			trans	-108.2	156.5	-174.7	-64.7	177.7	177.7	177	0	111.8
327	N	30.2	Very low	32.3	Very low	150 Å²	150	140.1 Å²	140.1	80%	0.802	81%	0.812	S	S	*	*			trans	35.9	122.9	149	-61.8	8	0	0	0	120.3
328	G	30	Very low	33.7	Very low	79 Å²	79	142.5 Å²	142.5	81%	0.814	82%	0.815	S	S	*	*			trans	-130.7	129.2	159.1	0	0	0	0	0	110.8
329	H	31.7	Very low	34.5	Very low	183 Å²	183	140.5 Å²	140.5	85%	0.847	81%	0.811	S	S	*	*			trans	-83.7	147.5	-166.4	-55.4	-106.6	0	0	0	114.7
330	R	27.9	Very low	34.3	Very low	257 Å²	257	136.8 Å²	136.8	97%	0.97	81%	0.81	S	S	*	*				-148.2	162.8	125.4	-149.4	160.1	-173.9	163.5	2.8	110.9
331	A	32.3	Very low	35.2	Very low	92 Å²	92	136 Å²	136	76%	0.76	81%	0.808	S	S	*	*			trans	-112.7	173.1	-149.5	0	0	0	0	0	116.1
332	T	38.3	Very low	35.2	Very low	126 Å²	126	135.3 Å²	135.3	77%	0.773	81%	0.811	S	S	*	*			trans	-67.4	173.8	170.7	46.6	0	0	0	0	113.1
333	P	41.2	Very low	35	Very low	132 Å²	132	135.2 Å²	135.2	86%	0.857	81%	0.805	S	S	*	*				-120.1	161.2	93.1	36.7	-35.6	0	0	0	112.8
334	G	30.4	Very low	34.9	Very low	54 Å²	54	134.4 Å²	134.4	56%	0.557	80%	0.801	S	S	*	*			cis	143.6	130.2	-5.6	0	0	0	0	0	112.1
335	L	33.8	Very low	35.1	Very low	187 Å²	187	138 Å²	138	98%	0.979	80%	0.803	S	S	*	*			trans	70.6	150.9	-176.4	-51.6	166.3	0	0	0	114.5
336	A	30.6	Very low	35.3	Very low	98 Å²	98	131.3 Å²	131.3	81%	0.81	79%	0.79	S	S	*	*			cis	-159.6	176.6	-25.4	0	0	0	0	0	108.4
337	A	33.2	Very low	35.3	Very low	96 Å²	96	131.9 Å²	131.9	79%	0.793	79%	0.788	S	S	*	*			trans	-118.5	-148.6	-166.1	0	0	0	0	0	116.2
338	P	58.8	Low	35.3	Very low	120 Å²	120	130 Å²	130	78%	0.779	79%	0.787	S	S	*	*				-95.5	-174.1	-128.5	44.4	-31.9	0	0	0	114.3
339	P	47.6	Very low	35.4	Very low	124 Å²	124	132.5 Å²	132.5	81%	0.805	78%	0.781	S	S	*	*			cis	-141.4	-160.4	15.1	44.6	-23.6	0	0	0	116.6
340	G	28.5	Very low	35.2	Very low	63 Å²	63	129.6 Å²	129.6	65%	0.649	78%	0.777	S	S	*	*			trans	-108.6	-154.7	158.9	0	0	0	0	0	111.4
341	P	57.1	Low	35.2	Very low	119 Å²	119	122.4 Å²	122.4	77%	0.773	76%	0.761	S	S	*	*			cis	-133.4	-165.6	-0.3	41.5	-22.6	0	0	0	114.8
342	Q	30.9	Very low	35.2	Very low	178 Å²	178	124 Å²	124	83%	0.832	76%	0.762	S	S	*	*			trans	82.6	153.7	164.6	-69	-179	-7.8	0	0	120.7
343	S	31.9	Very low	34.8	Very low	97 Å²	97	125.5 Å²	125.5	68%	0.678	77%	0.765	S	S	*	*			trans	58.1	148.2	162.1	51.3	0	0	0	0	120.8
344	D	32.4	Very low	34.3	Very low	150 Å²	150	121.9 Å²	121.9	80%	0.802	75%	0.752	S	S	*	*			cis	-163.6	173.7	-20.3	-98.6	-32.4	0	0	0	110.3
345	D	31.9	Very low	34.3	Very low	148 Å²	148	126 Å²	126	79%	0.791	77%	0.766	S	S	*	*			trans	92.9	150.7	136.9	-118.3	-22.6	0	0	0	126.2
346	V	32.3	Very low	34.3	Very low	113 Å²	113	125.9 Å²	125.9	69%	0.685	76%	0.758	S	S	*	*			trans	75.5	104.9	154.9	179.6	0	0	0	0	124
347	Y	29.4	Very low	34.5	Very low	203 Å²	203	130.5 Å²	130.5	80%	0.796	76%	0.76	S	S	*	*			trans	9.9	136.1	138	-71.7	-97	0	0	0	124.4
348	S	30.6	Very low	34.2	Very low	111 Å²	111	133 Å²	133	78%	0.776	76%	0.755	S	S	*	*				-167.5	117.5	121.9	-80.9	0	0	0	0	109.4
349	L	32.4	Very low	33.1	Very low	131 Å²	131	133.3 Å²	133.3	69%	0.686	75%	0.749	S	S	*	*				89.4	119.7	67	-81.2	171.2	0	0	0	114.8
350	T	28	Very low	32.3	Very low	123 Å²	123	133.3 Å²	133.3	76%	0.755	74%	0.742	S	S	*	*			trans	67.3	157.1	146.5	60.2	0	0	0	0	120
351	T	27.8	Very low	32.5	Very low	106 Å²	106	135.1 Å²	135.1	65%	0.65	75%	0.745	S	S	*	*			cis	-170.2	155.8	-22.3	-89.4	0	0	0	0	108.5
352	T	32.6	Very low	31.2	Very low	126 Å²	126	133.4 Å²	133.4	77%	0.773	74%	0.741	S	S	*	*			trans	63.6	161.7	171.6	40.3	0	0	0	0	116.2
353	D	29.8	Very low	31.4	Very low	156 Å²	156	130.6 Å²	130.6	83%	0.834	74%	0.736	S	S	*	*			cis	-135.7	171.4	9.4	-153.6	-3.8	0	0	0	112.5
354	G	29.2	Very low	31.4	Very low	56 Å²	56	133.9 Å²	133.9	58%	0.577	74%	0.741	S	S	*	*			trans	-148.6	157.4	-179.9	0	0	0	0	0	114.9
355	T	30.7	Very low	31.6	Very low	142 Å²	142	130.6 Å²	130.6	87%	0.871	74%	0.735	S	S	*	*			trans	-178.2	147.5	164.9	-91.2	0	0	0	0	109.3
356	K	34.5	Very low	31.7	Very low	183 Å²	183	131.9 Å²	131.9	80%	0.796	74%	0.735	S	S	*	*			cis	-178.2	166.7	-27.3	-160	166.6	-174.4	170.9	0	105.2
357	K	34.7	Very low	31.8	Very low	195 Å²	195	130.8 Å²	130.8	85%	0.848	74%	0.738	S	S	*	*			trans	87.6	140	171.7	-58.8	179.6	-179.4	-178	0	115.9
358	H	28	Very low	31.8	Very low	150 Å²	150	127.5 Å²	127.5	69%	0.694	74%	0.739	S	S	*	*			cis	-172.8	128.1	-7.8	170.4	-96	0	0	0	113.7
359	L	34	Very low	32.1	Very low	125 Å²	125	127.6 Å²	127.6	65%	0.654	74%	0.74	S	S	*	*			trans	55.2	159.2	158.1	-101.4	60.8	0	0	0	119.3
360	D	31.2	Very low	32	Very low	124 Å²	124	129.6 Å²	129.6	66%	0.663	75%	0.746	S	S	*	*			cis	-131.1	152.2	2	-86.6	-72	0	0	0	109.7
361	S	33.2	Very low	32.2	Very low	101 Å²	101	129.9 Å²	129.9	71%	0.706	74%	0.739	S	S	*	*				54.3	132	70.7	-6.2	0	0	0	0	114.8
362	A	29.3	Very low	32.4	Very low	83 Å²	83	129.9 Å²	129.9	69%	0.686	74%	0.739	S	S	*	*			cis	-148.1	155.2	2	0	0	0	0	0	108.8
363	T	34.9	Very low	32.6	Very low	119 Å²	119	131.2 Å²	131.2	73%	0.73	73%	0.734	S	S	*	*				46.7	141	81	12.1	0	0	0	0	115.5
364	E	32.3	Very low	32.6	Very low	166 Å²	166	129.6 Å²	129.6	78%	0.776	73%	0.73	S	S	*	*			cis	-162.6	130	9.3	-152.2	144.9	-130.8	0	0	108.6
365	A	37.3	Very low	32.7	Very low	82 Å²	82	133.6 Å²	133.6	68%	0.678	74%	0.737	S	S	*	*				78.3	172.3	96.1	0	0	0	0	0	119.7
366	H	32.9	Very low	32.7	Very low	174 Å²	174	134 Å²	134	81%	0.806	73%	0.734	S	S	*	*			trans	80.4	127.6	-179.5	-61.4	-83.4	0	0	0	118.6
367	A	34.7	Very low	32.5	Very low	90 Å²	90	131.9 Å²	131.9	74%	0.744	73%	0.731	S	S	*	*			cis	102.8	125.8	-0.3	0	0	0	0	0	120
368	T	30	Very low	32.2	Very low	134 Å²	134	132.2 Å²	132.2	82%	0.822	73%	0.733	S	S	*	*			trans	-157.8	132.4	157.5	32.5	0	0	0	0	107
369	S	37.6	Very low	32.3	Very low	114 Å²	114	134 Å²	134	80%	0.797	74%	0.741	S	S	*	*				89.7	140.7	53.5	-59.7	0	0	0	0	112.9
370	E	30.1	Very low	31.9	Very low	172 Å²	172	133.3 Å²	133.3	80%	0.804	75%	0.747	S	S	*	*			cis	-108.6	-161.7	4.8	-72.2	-167.4	68.4	0	0	112.3
371	E	32.3	Very low	31.8	Very low	129 Å²	129	133 Å²	133	60%	0.603	76%	0.755	S	S	*	*			cis	65.9	153.6	21.8	-74.9	-121.9	47.4	0	0	116.3	K373	E371-K373 IonicContact OE1-NZ 2.74Å; E371-K373 PolarHBondContact OE1-NZ 3.48Å; E371-K373 IonicContact OE2-NZ 2.63Å; E371-K373 PolarHBondContact OE2-NZ 3.36Å
372	T	31.3	Very low	31.5	Very low	107 Å²	107	133.5 Å²	133.5	66%	0.656	76%	0.758	S	S	*	*			cis	-133.3	144.3	18.6	40.7	0	0	0	0	112.3
373	K	35.8	Very low	31.4	Very low	153 Å²	153	139.3 Å²	139.3	67%	0.665	77%	0.771	S	S	*	*				74.9	144.1	77	-111.5	-175.3	-148	104	0	113.7	E371	E371-K373 IonicContact OE1-NZ 2.74Å; E371-K373 PolarHBondContact OE1-NZ 3.48Å; E371-K373 IonicContact OE2-NZ 2.63Å; E371-K373 PolarHBondContact OE2-NZ 3.36Å
374	V	30.3	Very low	31.1	Very low	123 Å²	123	137.5 Å²	137.5	75%	0.745	78%	0.776	S	S	*	*			cis	-150.8	178.6	33	-178.7	0	0	0	0	112.4
375	L	32.5	Very low	30.9	Very low	140 Å²	140	136.6 Å²	136.6	73%	0.733	78%	0.777	S	S	*	*			trans	-52.6	-179.2	172.8	-69.5	77.1	0	0	0	115.7
376	D	28.9	Very low	30.5	Very low	150 Å²	150	138.6 Å²	138.6	80%	0.802	78%	0.784	S	S	*	*			cis	-162.6	-172.5	28.5	-146.3	-21	0	0	0	115.8
377	N	30.4	Very low	30.4	Very low	139 Å²	139	139.4 Å²	139.4	74%	0.743	79%	0.785	S	S	*	*			trans	-103.7	146.3	-164.3	-176.9	16	0	0	0	114.7
378	K	29	Very low	30.4	Very low	202 Å²	202	140.5 Å²	140.5	88%	0.878	78%	0.784	S	S	*	*			trans	-171.2	155.9	153.7	-117.3	168.7	-173.4	175.8	0	117
379	Q	29.4	Very low	30.3	Very low	187 Å²	187	141.9 Å²	141.9	87%	0.874	79%	0.786	S	S	*	*			trans	-108.6	140.2	168.1	-64.7	169.6	-89.2	0	0	111.9
380	S	26.4	Very low	29.9	Very low	111 Å²	111	143.7 Å²	143.7	78%	0.776	78%	0.782	S	S	*	*			trans	-172.4	134.2	148.6	49.4	0	0	0	0	108.2
381	S	28.6	Very low	29.9	Very low	118 Å²	118	145 Å²	145	83%	0.825	79%	0.785	S	S	*	*			cis	92.6	76.5	29.9	81.4	0	0	0	0	115.5
382	S	28.3	Very low	29.8	Very low	111 Å²	111	144.5 Å²	144.5	78%	0.776	79%	0.787	S	S	*	*			trans	-157.8	107.6	151.1	49.8	0	0	0	0	107.5
383	E	27.1	Very low	29.6	Very low	204 Å²	204	146.9 Å²	146.9	95%	0.953	80%	0.795	S	S	*	*				49.1	105.6	85.8	-66.2	-153.2	120.1	0	0	113.9
384	G	27.4	Very low	29.4	Very low	81 Å²	81	144.7 Å²	144.7	84%	0.835	80%	0.795	S	S	*	*			trans	-159.8	80.5	179.6	0	0	0	0	0	109.4
385	N	28.3	Very low	29.2	Very low	148 Å²	148	148.3 Å²	148.3	79%	0.791	80%	0.801	S	S	*	*			trans	-71.2	129.3	-169.1	176.5	30.5	0	0	0	113.4
386	C	28.4	Very low	29.3	Very low	123 Å²	123	148.9 Å²	148.9	83%	0.831	80%	0.804	S	S	*	*			trans	-166.5	153	131.2	-111.5	0	0	0	0	112.5
387	K	31.4	Very low	29.7	Very low	192 Å²	192	147.6 Å²	147.6	84%	0.835	80%	0.804	S	S	*	*			trans	-102.7	168.1	-176.6	-104.7	-172.8	177.5	-175.7	0	112.3
388	P	34.6	Very low	29.4	Very low	112 Å²	112	150.1 Å²	150.1	73%	0.727	81%	0.813	S	S	*	*			trans	-76.5	168.5	-170.8	33.4	-37.8	0	0	0	113
389	L	28.7	Very low	29.5	Very low	164 Å²	164	147 Å²	147	86%	0.859	81%	0.811	S	S	*	*			trans	-107.6	115.8	162.4	-165.3	78.3	0	0	0	109.6
390	E	27.9	Very low	29.5	Very low	151 Å²	151	143.3 Å²	143.3	71%	0.706	81%	0.806	S	S	*	*			trans	-72	152.6	170.1	-65.9	153.6	142.8	0	0	110.6
391	K	30.8	Very low	29.7	Very low	201 Å²	201	146 Å²	146	87%	0.874	81%	0.806	S	S	*	*			trans	-139	102.9	144.6	-81.3	-157.7	172.9	-175.8	0	109.5
392	D	29.5	Very low	29.9	Very low	118 Å²	118	146.3 Å²	146.3	63%	0.631	80%	0.804	S	S	*	*			trans	-60.2	156.8	165.9	-65.7	-60.2	0	0	0	111.8
393	N	29	Very low	29.9	Very low	157 Å²	157	147.3 Å²	147.3	84%	0.84	80%	0.8	S	S	*	*				-154.4	89.4	126.7	-111.3	-20.5	0	0	0	109.4
394	T	30	Very low	30.1	Very low	106 Å²	106	147.9 Å²	147.9	65%	0.65	79%	0.794	S	S	*	*			trans	-79.5	123.2	169.3	-46.6	0	0	0	0	109.6
395	F	27.5	Very low	30.1	Very low	199 Å²	199	149.1 Å²	149.1	87%	0.873	79%	0.79	S	S	*	*			trans	-137.3	151.5	154.4	-92.2	-75.2	0	0	0	110.6
396	L	34	Very low	30.1	Very low	153 Å²	153	153.3 Å²	153.3	80%	0.801	80%	0.795	S	S	*	*			trans	-88.8	159.9	-157.6	-75.7	169	0	0	0	113.7
397	P	36.2	Very low	30.3	Very low	123 Å²	123	151.8 Å²	151.8	80%	0.799	79%	0.791	S	S	*	*			trans	-73.8	156.2	-176.4	31.5	-37	0	0	0	112.6
398	M	25	Very low	30.3	Very low	192 Å²	192	149.9 Å²	149.9	95%	0.946	80%	0.795	S	S	*	*			trans	-129.1	140.9	172.6	-157.6	173.7	-167.5	0	0	111.7
399	T	30.6	Very low	30.1	Very low	136 Å²	136	147.5 Å²	147.5	83%	0.834	79%	0.791	S	S	*	*			trans	-108.4	120	-172	49.6	0	0	0	0	113
400	S	30.1	Very low	30.2	Very low	109 Å²	109	143.3 Å²	143.3	76%	0.762	79%	0.787	S	S	*	*			trans	-163.7	118.9	154.3	48.1	0	0	0	0	107.5
401	Q	30	Very low	30.6	Very low	167 Å²	167	143.8 Å²	143.8	78%	0.78	80%	0.795	S	S	*	*				67.1	92.2	64.1	-166.6	-177.3	12.4	0	0	113.2
402	T	32.6	Very low	31.5	Very low	126 Å²	126	145.5 Å²	145.5	77%	0.773	80%	0.797	S	S	*	*			trans	-147.9	118	148.7	43.6	0	0	0	0	109.4
403	D	28.7	Very low	32.5	Very low	131 Å²	131	145.1 Å²	145.1	70%	0.701	80%	0.804	S	S	*	*			trans	-76.2	136.6	-177.8	-56.8	-90	0	0	0	112.7
404	W	31.4	Very low	33.7	Very low	217 Å²	217	141.9 Å²	141.9	82%	0.822	79%	0.789	S	S	*	*			trans	-120.2	76.1	170.4	-84.5	54.7	0	0	0	110.1
405	S	28.2	Very low	34.6	Very low	107 Å²	107	141 Å²	141	75%	0.748	79%	0.794	S	S	*	*			trans	-79.2	116.6	-177.3	55.1	0	0	0	0	113	A407	S405-A407 PolarHBondContact O-N 3.07Å
406	W	27.6	Very low	35.6	Very low	236 Å²	236	139.7 Å²	139.7	89%	0.894	79%	0.79	S	S	*	*			trans	-90.3	96.2	174.5	-74.3	97.3	0	0	0	112
407	A	32	Very low	36.2	Very low	91 Å²	91	140.3 Å²	140.3	75%	0.752	78%	0.782	S	S	*	*			trans	-150.8	43.8	-176.6	0	0	0	0	0	116.7	S405	S405-A407 PolarHBondContact O-N 3.07Å
408	V	33	Very low	37	Very low	152 Å²	152	138.2 Å²	138.2	92%	0.921	77%	0.767	S	S	*	*			trans	-146.5	142.8	161.4	-175	0	0	0	0	107.1
409	G	28.5	Very low	38.3	Very low	62 Å²	62	136.5 Å²	136.5	64%	0.639	75%	0.754	S	S	*	*			cis	-176.8	152	-4.2	0	0	0	0	0	108.1
410	G	32.3	Very low	38.9	Very low	76 Å²	76	136.8 Å²	136.8	78%	0.784	75%	0.746	S	S	*	*			trans	-71.4	143.3	-166.1	0	0	0	0	0	115.5
411	N	35.1	Very low	39.8	Very low	161 Å²	161	135.8 Å²	135.8	86%	0.861	73%	0.732	S	S	*	*			trans	-139.3	86.7	167.2	-96.9	-46.1	0	0	0	111.4	S413	N411-S413 PolarHBondContact O-N 3.04Å; N411-S413 VanDerWaalsContact O-N 3.07Å
412	Y	49.5	Very low	40.8	Very low	237 Å²	237	135.1 Å²	135.1	93%	0.929	73%	0.729	S	S	*	*			trans	-77.5	79.2	173.7	-88	-94.7	0	0	0	111.2
413	S	51.3	Low	41.4	Very low	110 Å²	110	134.2 Å²	134.2	77%	0.769	72%	0.723	S	S	*	*			trans	-164.6	89.6	166.3	-87.2	0	0	0	0	114.9	N411	N411-S413 PolarHBondContact O-N 3.04Å; N411-S413 VanDerWaalsContact O-N 3.07Å
414	T	54.9	Low	42.3	Very low	88 Å²	88	137.6 Å²	137.6	54%	0.54	73%	0.727	S	S	.	*			trans	-153.3	-10.5	160	-26.1	0	0	0	0	115.2	Q416 W417 V418	T414-Q416 PolarHBondContact O-N 3.39Å; T414-Q416 VanDerWaalsContact O-N 3.13Å; T414-W417 HydrophobicContact CG2-CB 4.03Å; T414-W417 HydrophobicContact CG2-CE3 4.41Å; T414-W417 PolarHBondContact O-N 3.36Å; T414-V418 PolarHBondContact O-N 3.13Å
415	A	48.8	Very low	43	Very low	89 Å²	89	138.4 Å²	138.4	74%	0.736	73%	0.73	S	S	*	*	H	α-helix	trans	-59.6	-27.8	-177	0	0	0	0	0	114.5
416	Q	47.2	Very low	43.7	Very low	171 Å²	171	138.2 Å²	138.2	80%	0.799	73%	0.729	S	S	*	*	H	α-helix	trans	-78.6	-34.8	174.9	-72.3	175.7	-32.3	0	0	112.9	T414 K419 Q420	T414-Q416 PolarHBondContact O-N 3.39Å; T414-Q416 VanDerWaalsContact O-N 3.13Å; Q416-K419 PolarHBondContact O-N 3.38Å; Q416-Q420 PolarHBondContact O-N 3.47Å
417	W	48	Very low	44.7	Very low	165 Å²	165	133.1 Å²	133.1	63%	0.625	72%	0.724	S	S	*	*	H	α-helix	trans	-65.3	-42.9	-178.4	-175.1	91.3	0	0	0	112.3	T414 K419 Q420 N421	T414-W417 HydrophobicContact CG2-CB 4.03Å; T414-W417 HydrophobicContact CG2-CE3 4.41Å; T414-W417 PolarHBondContact O-N 3.36Å; W417-K419 VanDerWaalsContact C-N 3.27Å; W417-K419 PolarHBondContact O-N 2.99Å; W417-Q420 PolarHBondContact O-N 3.19Å; W417-N421 WeakPolarHBondContact CZ2-ND2 3.41Å; W417-N421 PolarHBondContact O-N 3.29Å; W417-N421 PolarHBondContact O-ND2 3.27Å
418	V	52.8	Low	44.8	Very low	80 Å²	80	140.3 Å²	140.3	49%	0.485	73%	0.731	S	S	.	*	H	α-helix	trans	-60.1	-40.2	174	179.8	0	0	0	0	110.9	T414	T414-V418 PolarHBondContact O-N 3.13Å
419	K	50.9	Low	45.4	Very low	156 Å²	156	138.1 Å²	138.1	68%	0.678	72%	0.72	S	S	*	*	H	α-helix	trans	-71.3	-30.2	-178.8	-156.6	169.7	-173.6	175.8	0	112.8	Q416 W417	Q416-K419 PolarHBondContact O-N 3.38Å; W417-K419 VanDerWaalsContact C-N 3.27Å; W417-K419 PolarHBondContact O-N 2.99Å
420	Q	44.3	Very low	46	Very low	141 Å²	141	151.1 Å²	151.1	66%	0.659	75%	0.75	S	S	*	*	H	α-helix	trans	-72.3	-40	177	-166.1	168.1	5.6	0	0	112	Q416 W417 Q422 V423	Q416-Q420 PolarHBondContact O-N 3.47Å; W417-Q420 PolarHBondContact O-N 3.19Å; Q420-Q422 VanDerWaalsContact C-N 3.28Å; Q420-Q422 PolarHBondContact O-N 3.37Å; Q420-V423 PolarHBondContact O-N 3.25Å
421	N	48.1	Very low	46.7	Very low	89 Å²	89	154.9 Å²	154.9	48%	0.476	75%	0.748	S	S	.	*	H	α-helix	trans	-68.3	-20.8	178.5	-80.4	-49.8	0	0	0	114.3	W417	W417-N421 WeakPolarHBondContact CZ2-ND2 3.41Å; W417-N421 PolarHBondContact O-N 3.29Å; W417-N421 PolarHBondContact O-ND2 3.27Å
422	Q	51.1	Low	47.3	Very low	153 Å²	153	154.5 Å²	154.5	72%	0.715	74%	0.743	S	S	*	*	G	3₁₀ helix	trans	-76.1	-18.1	175.4	-75.5	-175.8	-33.3	0	0	114.1	Q420 Y424	Q420-Q422 VanDerWaalsContact C-N 3.28Å; Q420-Q422 PolarHBondContact O-N 3.37Å; Q422-Y424 VanDerWaalsContact C-N 3.34Å; Q422-Y424 PolarHBondContact O-N 3.32Å
423	V	46.8	Very low	47.2	Very low	106 Å²	106	149.9 Å²	149.9	64%	0.642	73%	0.732	S	S	*	*	G	3₁₀ helix	trans	-78.9	-16	-175.2	179.3	0	0	0	0	113	Q420	Q420-V423 PolarHBondContact O-N 3.25Å
424	Y	46.3	Very low	46.9	Very low	202 Å²	202	152.3 Å²	152.3	79%	0.792	73%	0.73	S	S	*	*	G	3₁₀ helix	trans	-115.6	17.9	-169.4	-88.2	-83.2	0	0	0	115.9	Q422	Q422-Y424 VanDerWaalsContact C-N 3.34Å; Q422-Y424 PolarHBondContact O-N 3.32Å
425	R	46.2	Very low	46.4	Very low	235 Å²	235	156.3 Å²	156.3	89%	0.887	74%	0.742	S	S	*	*			trans	-127.6	64.1	175.9	-71.8	-164	174	-151.6	-0.7	113.6
426	S	43.8	Very low	46.3	Very low	103 Å²	103	160.8 Å²	160.8	72%	0.72	74%	0.742	S	S	*	*			trans	-145.5	47.8	175.7	68.1	0	0	0	0	114.3
427	T	47.3	Very low	46.2	Very low	128 Å²	128	160.1 Å²	160.1	79%	0.785	74%	0.738	S	S	*	*			trans	-148.6	83.2	175.8	36.4	0	0	0	0	114.2
428	R	34.8	Very low	46.1	Very low	243 Å²	243	159.7 Å²	159.7	92%	0.917	75%	0.747	S	S	*	*				174.8	154.4	112.9	-94.9	175.6	-177	-112.7	-1	111.9
429	P	44.8	Very low	45.5	Very low	106 Å²	106	166.3 Å²	166.3	69%	0.688	77%	0.769	S	S	*	*			trans	-91	151.5	176	36.7	-33.6	0	0	0	112.3
430	W	42.1	Very low	45	Very low	334 Å²	334	167.3 Å²	167.3	100%	1.265	78%	0.777	S	S	*	*			trans	-153.8	0	132.6	-82.1	115.1	0	0	0	107.8

Retrieved 430 of 430 residues in 155.4 ms (Link to these results)

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