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Galactose mutarotase

Mutarotase that catalyzes the interconversion of beta-D-galactose and alpha-D-galactose during galactose metabolism. Beta-D-galactose is metabolized in the liver into glucose 1-phosphate, the primary metabolic fuel, by the action of four enzymes that constitute the Leloir pathway: GALM, GALK1 (galactokinase), GALT (galactose-1-phosphate uridylyltransferase) and GALE (UDP-galactose-4'-epimerase). Involved in the maintenance of the equilibrium between the beta- and alpha-anomers of galactose, therefore ensuring a sufficient supply of the alpha-anomer for GALK1. Also active on D-glucose although shows a preference for galactose over glucose.

AlphaFold DB , UniProt , Accession A0A077ZEB8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 410 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.5	Very low	67.9	Low	243 Å²	243	108.9 Å²	108.9	100%	1.197	56%	0.564	S	S	*	*				0	93.5	0	-136	171.1	-176.8	0	0	106.4	I3	M1-I3 PolarHBondContact O-N 3.18Å
2	Q	33.1	Very low	70.1	Confident	188 Å²	188	104.6 Å²	104.6	88%	0.879	55%	0.546	S	S	*	.			trans	-67.3	123.4	168.9	-95.4	173.5	-32.5	0	0	106	T4	Q2-T4 PolarHBondContact O-N 3.21Å
3	I	39.1	Very low	72.1	Confident	151 Å²	151	97.3 Å²	97.3	77%	0.774	51%	0.508	S	S	*	.			trans	-59.9	103.7	170.6	-62.4	169.9	0	0	0	105.5	M1 N5	M1-I3 PolarHBondContact O-N 3.18Å; I3-N5 PolarHBondContact O-N 3.41Å
4	T	51.9	Low	73.9	Confident	105 Å²	105	96.9 Å²	96.9	64%	0.644	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-62.6	128.4	162.8	35.7	0	0	0	0	106.6	Q2 M6	Q2-T4 PolarHBondContact O-N 3.21Å; T4-M6 PolarHBondContact O-N 3.09Å; T4-M6 VanDerWaalsContact O-N 3.09Å
5	N	60.8	Low	75.6	Confident	127 Å²	127	90.6 Å²	90.6	68%	0.679	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-49.1	118.9	-172.8	-77.9	-21	0	0	0	110.7	I3 H7	I3-N5 PolarHBondContact O-N 3.41Å; N5-H7 PolarHBondContact O-CD2 2.86Å; N5-H7 PolarHBondContact O-NE2 3.4Å
6	M	68.8	Low	77	Confident	147 Å²	147	87.8 Å²	87.8	72%	0.724	48%	0.477	S	S	*	.	P	Polyproline II helix	trans	-79.4	121.2	172.4	-167.3	176.4	-65.6	0	0	107.7	T4	T4-M6 PolarHBondContact O-N 3.09Å; T4-M6 VanDerWaalsContact O-N 3.09Å
7	H	83.1	Confident	78.3	Confident	58 Å²	58	83.3 Å²	83.3	27%	0.269	46%	0.455	S	S	.	.	B	Isolated β-bridge	trans	-100.4	175.4	-179.5	-60.5	-81	0	0	0	111.2	N5 S9 G10 P47 E48	N5-H7 PolarHBondContact O-CD2 2.86Å; N5-H7 PolarHBondContact O-NE2 3.4Å; H7-S9 PolarHBondContact O-N 3.05Å; H7-S9 VanDerWaalsContact O-N 3.16Å; H7-G10 PolarHBondContact N-O 3.44Å; H7-G10 VanDerWaalsContact N-O 3.17Å; H7-G10 PolarHBondContact O-N 3.12Å; H7-P47 HydrophobicContact CB-CB 4.23Å; H7-P47 VanDerWaalsContact CB-O 3.28Å; H7-P47 WeakPolarHBondContact CB-O 3.44Å; H7-E48 IonicContact CE1-OE1 2.71Å; H7-E48 PolarHBondContact CE1-OE1 3Å; H7-E48 WeakPolarHBondContact ND1-CG 3.45Å; H7-E48 IonicContact ND1-OE1 3.93Å; H7-E48 PolarHBondContact ND1-OE1 3.09Å; H7-E48 IonicContact NE2-OE1 3.04Å
8	C	89.7	Confident	79.3	Confident	85 Å²	85	81.9 Å²	81.9	57%	0.574	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-30	175.3	-75.3	0	0	0	0	112.9	P47 E48	C8-P47 PolarHBondContact N-O 2.72Å; C8-E48 PolarHBondContact SG-O 3.3Å
9	S	93.1	Very high	80.3	Confident	1 Å²	1	82 Å²	82	1%	0.007	46%	0.462	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	12.9	176.5	-62.1	0	0	0	0	114.3	H7 V25 T26 V27 P47	H7-S9 PolarHBondContact O-N 3.05Å; H7-S9 VanDerWaalsContact O-N 3.16Å; S9-V25 WeakPolarHBondContact O-CB 3.24Å; S9-T26 PolarHBondContact O-N 2.92Å; S9-V27 WeakPolarHBondContact O-CB 3.47Å; S9-V27 WeakPolarHBondContact O-CG2 3.47Å; S9-V27 PolarHBondContact O-N 2.97Å; S9-P47 WeakPolarHBondContact CB-O 3.39Å; S9-P47 PolarHBondContact N-O 2.89Å; S9-P47 PolarHBondContact OG-O 2.86Å
10	G	94.1	Very high	81.2	Confident	3 Å²	3	79.9 Å²	79.9	3%	0.031	45%	0.447	C	S	.	.	B	Isolated β-bridge	trans	86	-138.5	179.1	0	0	0	0	0	112.9	H7 T26	H7-G10 PolarHBondContact N-O 3.44Å; H7-G10 VanDerWaalsContact N-O 3.17Å; H7-G10 PolarHBondContact O-N 3.12Å; G10-T26 WeakPolarHBondContact CA-OG1 3.44Å
11	Q	94.4	Very high	82.1	Confident	90 Å²	90	80.6 Å²	80.6	42%	0.421	45%	0.447	S	S	.	.	S	Bend	trans	-85.2	147.9	172.6	-59.2	-178.7	-18.7	0	0	110.5	V25 T26	Q11-V25 WeakPolarHBondContact O-CA 3.37Å; Q11-T26 HydrophobicContact CB-CG2 3.77Å; Q11-T26 PolarHBondContact N-OG1 3.47Å; Q11-T26 PolarHBondContact O-N 2.94Å
12	T	95.2	Very high	84.9	Confident	57 Å²	57	69 Å²	69	35%	0.35	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	133.3	179.1	-53.7	0	0	0	0	110.3	T23 V25 P47	T12-T23 HydrophobicContact CG2-CG2 3.38Å; T12-V25 HydrophobicContact CG2-CG1 4.49Å; T12-P47 HydrophobicContact CG2-CG 3.99Å; T12-P47 WeakPolarHBondContact OG1-CB 3.13Å; T12-P47 WeakPolarHBondContact OG1-CG 3.22Å
13	V	96	Very high	88	Confident	10 Å²	10	61.1 Å²	61.1	6%	0.061	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	132.9	175.6	173.2	0	0	0	0	108.9	L15 T23 I24 I102 L105 V110	V13-L15 HydrophobicContact CG1-CD2 3.88Å; V13-L15 HydrophobicContact CG1-CG 4.43Å; V13-T23 CarbonylContact O-C 3.56Å; V13-T23 WeakPolarHBondContact O-CA 3.41Å; V13-I24 HydrophobicContact CB-CB 4.4Å; V13-I24 PolarHBondContact N-O 3.09Å; V13-I24 PolarHBondContact O-N 3.21Å; V13-I102 HydrophobicContact CG2-CD1 3.47Å; V13-I102 VanDerWaalsContact CG2-CD1 3.47Å; V13-I102 HydrophobicContact CG2-CG1 4.44Å; V13-L105 HydrophobicContact CG1-CD1 3.38Å; V13-L105 HydrophobicContact CG2-CD1 4.47Å; V13-V110 HydrophobicContact CG1-CB 4.06Å; V13-V110 HydrophobicContact CG1-CG1 4.24Å; V13-V110 HydrophobicContact CG1-CG2 4.25Å; V13-V110 HydrophobicContact CG2-CG2 4.28Å
14	S	97.5	Very high	90.8	Very high	91 Å²	91	54 Å²	54	64%	0.636	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.8	128.8	174.1	-59.7	0	0	0	0	110	A22	S14-A22 WeakPolarHBondContact CA-O 3.42Å
15	L	98.5	Very high	92.9	Very high	3 Å²	3	49 Å²	49	2%	0.016	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	144.4	173.7	-52.8	-178.1	0	0	0	109.2	V13 H21 A22 I24 L105 A107 V110 L134	V13-L15 HydrophobicContact CG1-CD2 3.88Å; V13-L15 HydrophobicContact CG1-CG 4.43Å; L15-H21 WeakPolarHBondContact O-CA 3.42Å; L15-A22 HydrophobicContact CB-CB 4.38Å; L15-A22 PolarHBondContact N-O 3.12Å; L15-A22 PolarHBondContact O-N 3.09Å; L15-I24 HydrophobicContact CD1-CG1 4.4Å; L15-L105 HydrophobicContact CD2-CD1 4.31Å; L15-A107 WeakPolarHBondContact CA-O 3.41Å; L15-V110 HydrophobicContact CD1-CG1 4.26Å; L15-V110 HydrophobicContact CD2-CB 4.49Å; L15-L134 HydrophobicContact CB-CB 4.22Å; L15-L134 HydrophobicContact CB-CD2 3.95Å; L15-L134 HydrophobicContact CD1-CB 4.44Å
16	A	98.4	Very high	94.7	Very high	45 Å²	45	43 Å²	43	37%	0.372	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	131.4	176.9	0	0	0	0	0	111.2	Y20 A107 T108	A16-Y20 WeakPolarHBondContact CA-O 3.27Å; A16-A107 PolarHBondContact N-O 3Å; A16-T108 WeakPolarHBondContact O-CG2 3.44Å
17	A	98.3	Very high	96	Very high	12 Å²	12	37 Å²	37	10%	0.099	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	113	174.9	0	0	0	0	0	110.3	D19 Y20 T108 L134 A136	A17-D19 PolarHBondContact O-N 2.93Å; A17-Y20 PolarHBondContact N-O 3.23Å; A17-Y20 WeakPolarHBondContact O-CB 2.85Å; A17-Y20 PolarHBondContact O-N 2.98Å; A17-Y20 VanDerWaalsContact O-N 3.08Å; A17-T108 HydrophobicContact CB-CG2 4.09Å; A17-L134 HydrophobicContact CB-CB 4.35Å; A17-L134 HydrophobicContact CB-CD2 4.24Å; A17-L134 HydrophobicContact CB-CG 3.99Å; A17-L134 WeakPolarHBondContact CB-O 2.9Å; A17-A136 HydrophobicContact CB-CB 4.36Å; A17-A136 WeakPolarHBondContact O-CA 3.46Å
18	G	97.8	Very high	96.7	Very high	59 Å²	59	34.2 Å²	34.2	61%	0.608	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	60	-127.1	-174.1	0	0	0	0	0	111.2	Y20	G18-Y20 VanDerWaalsContact C-N 3.33Å
19	D	97.9	Very high	97.1	Very high	83 Å²	83	30.2 Å²	30.2	44%	0.444	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-1.5	177.7	-69	-23.5	0	0	0	113.6	A17 F36 Q37	A17-D19 PolarHBondContact O-N 2.93Å; D19-F36 HydrophobicContact CB-CD2 3.85Å; D19-F36 HydrophobicContact CB-CE2 3.64Å; D19-F36 HydrophobicContact CB-CZ 4.38Å; D19-F36 WeakPolarHBondContact O-CA 3.37Å; D19-Q37 HydrophobicContact CB-CG 3.65Å; D19-Q37 PolarHBondContact O-N 3.43Å; D19-Q37 WeakPolarHBondContact OD2-CG 3.3Å; D19-Q37 PolarHBondContact OD2-NE2 2.72Å
20	Y	98.7	Very high	97.3	Very high	39 Å²	39	30.1 Å²	30.1	15%	0.153	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	137.9	177.9	-71.8	-81	0	0	0	112	A16 A17 G18 T35 F36 L41 L134 N135	A16-Y20 WeakPolarHBondContact CA-O 3.27Å; A17-Y20 PolarHBondContact N-O 3.23Å; A17-Y20 WeakPolarHBondContact O-CB 2.85Å; A17-Y20 PolarHBondContact O-N 2.98Å; A17-Y20 VanDerWaalsContact O-N 3.08Å; G18-Y20 VanDerWaalsContact C-N 3.33Å; Y20-T35 WeakPolarHBondContact CA-O 3.3Å; Y20-F36 HydrophobicContact CD1-CB 3.84Å; Y20-F36 AromaticContact CD1-CD2 3.76Å; Y20-F36 HydrophobicContact CD1-CD2 3.76Å; Y20-F36 HydrophobicContact CD1-CG 4.24Å; Y20-F36 AromaticContact CD2-CD2 3.74Å; Y20-F36 HydrophobicContact CD2-CD2 3.74Å; Y20-F36 HydrophobicContact CD2-CE2 4.12Å; Y20-F36 HydrophobicContact CE1-CB 3.65Å; Y20-F36 AromaticContact CE1-CD2 3.51Å; Y20-F36 HydrophobicContact CE1-CD2 3.51Å; Y20-F36 HydrophobicContact CE1-CE2 4.43Å; Y20-F36 AromaticContact CE1-CG 3.85Å; Y20-F36 HydrophobicContact CE1-CG 3.85Å; Y20-F36 AromaticContact CE2-CD2 3.47Å; Y20-F36 HydrophobicContact CE2-CD2 3.47Å; Y20-F36 VanDerWaalsContact CE2-CD2 3.47Å; Y20-F36 AromaticContact CE2-CE2 3.65Å; Y20-F36 HydrophobicContact CE2-CE2 3.65Å; Y20-F36 AromaticContact CG-CD2 3.87Å; Y20-F36 HydrophobicContact CG-CD2 3.87Å; Y20-F36 AromaticContact CZ-CD2 3.35Å; Y20-F36 AromaticContact CZ-CE2 3.82Å; Y20-F36 AromaticContact CZ-CG 3.98Å; Y20-L41 HydrophobicContact CD1-CD1 4.35Å; Y20-L41 HydrophobicContact CE1-CD1 3.85Å; Y20-L134 HydrophobicContact CG-CD1 4.36Å; Y20-N135 WeakPolarHBondContact CD2-O 3.39Å
21	H	98.6	Very high	97.5	Very high	95 Å²	95	30.6 Å²	30.6	44%	0.44	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	136.3	167.3	-67.5	-89.7	0	0	0	110.3	L15 L34 T35	L15-H21 WeakPolarHBondContact O-CA 3.42Å; H21-L34 WeakPolarHBondContact O-CA 3.37Å; H21-T35 PolarHBondContact N-O 2.82Å; H21-T35 PolarHBondContact O-N 3.18Å
22	A	98.6	Very high	97.6	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.008	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	139.4	174.3	0	0	0	0	0	110.8	S14 L15 E33 L34 L134 L140	S14-A22 WeakPolarHBondContact CA-O 3.42Å; L15-A22 HydrophobicContact CB-CB 4.38Å; L15-A22 PolarHBondContact N-O 3.12Å; L15-A22 PolarHBondContact O-N 3.09Å; A22-E33 CarbonylContact C-O 3.58Å; A22-E33 VanDerWaalsContact CA-O 3.32Å; A22-E33 WeakPolarHBondContact CA-O 3.21Å; A22-L34 HydrophobicContact CB-CD1 3.91Å; A22-L134 HydrophobicContact CB-CD1 4.36Å; A22-L134 HydrophobicContact CB-CD2 4.21Å; A22-L140 HydrophobicContact CB-CD1 4.35Å
23	T	97.7	Very high	97.8	Very high	22 Å²	22	26.5 Å²	26.5	14%	0.135	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	120.9	171.3	-57.9	0	0	0	0	109.2	T12 V13 A32 E33	T12-T23 HydrophobicContact CG2-CG2 3.38Å; V13-T23 CarbonylContact O-C 3.56Å; V13-T23 WeakPolarHBondContact O-CA 3.41Å; T23-A32 HydrophobicContact CG2-CB 4.13Å; T23-A32 WeakPolarHBondContact O-CA 3.47Å; T23-A32 PolarHBondContact O-N 3.14Å; T23-E33 PolarHBondContact N-O 3.08Å; T23-E33 PolarHBondContact O-N 3.02Å
24	I	97.7	Very high	97.9	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	139.8	178.1	-49.6	-57.3	0	0	0	108.8	V13 L15 G30 L31 V110 L112 Y132	V13-I24 HydrophobicContact CB-CB 4.4Å; V13-I24 PolarHBondContact N-O 3.09Å; V13-I24 PolarHBondContact O-N 3.21Å; L15-I24 HydrophobicContact CD1-CG1 4.4Å; I24-G30 CarbonylContact C-O 3.51Å; I24-G30 WeakPolarHBondContact CA-O 3.45Å; I24-L31 HydrophobicContact CD1-CD1 3.58Å; I24-V110 HydrophobicContact CB-CG1 4.17Å; I24-V110 HydrophobicContact CG1-CG1 3.96Å; I24-V110 HydrophobicContact CG2-CG1 4.18Å; I24-L112 HydrophobicContact CG2-CD1 3.94Å; I24-Y132 HydrophobicContact CD1-CD1 3.66Å; I24-Y132 HydrophobicContact CD1-CD2 4.02Å; I24-Y132 HydrophobicContact CD1-CE1 4Å; I24-Y132 HydrophobicContact CD1-CE2 4.33Å; I24-Y132 HydrophobicContact CD1-CG 3.68Å; I24-Y132 HydrophobicContact CG1-CD2 4.17Å; I24-Y132 HydrophobicContact CG1-CG 4.04Å; I24-Y132 HydrophobicContact CG2-CD2 3.8Å; I24-Y132 HydrophobicContact CG2-CE2 3.88Å
25	V	97	Very high	97.9	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	141.2	178	-67.2	0	0	0	0	110.7	S9 Q11 T12 V27 A29 G30 A32 P47	S9-V25 WeakPolarHBondContact O-CB 3.24Å; Q11-V25 WeakPolarHBondContact O-CA 3.37Å; T12-V25 HydrophobicContact CG2-CG1 4.49Å; V25-V27 PolarHBondContact O-N 2.79Å; V25-A29 CarbonylContact O-C 3.52Å; V25-A29 WeakPolarHBondContact O-CA 3.23Å; V25-G30 WeakPolarHBondContact CG2-O 3.2Å; V25-G30 PolarHBondContact N-O 2.94Å; V25-G30 PolarHBondContact O-N 3.14Å; V25-A32 HydrophobicContact CG1-CB 3.76Å; V25-A32 HydrophobicContact CG2-CB 4.2Å; V25-P47 HydrophobicContact CG1-CB 4.15Å; V25-P47 HydrophobicContact CG1-CG 4.11Å
26	T	97.2	Very high	97.9	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.006	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-28.8	-172.4	56.4	0	0	0	0	113.7	S9 G10 Q11 G28 A29 D99 W100 I102 L112	S9-T26 PolarHBondContact O-N 2.92Å; G10-T26 WeakPolarHBondContact CA-OG1 3.44Å; Q11-T26 HydrophobicContact CB-CG2 3.77Å; Q11-T26 PolarHBondContact N-OG1 3.47Å; Q11-T26 PolarHBondContact O-N 2.94Å; T26-G28 PolarHBondContact O-N 3.37Å; T26-G28 VanDerWaalsContact O-N 3.16Å; T26-A29 PolarHBondContact O-N 2.88Å; T26-D99 WeakPolarHBondContact CB-OD1 3.25Å; T26-D99 PolarHBondContact OG1-OD1 2.97Å; T26-W100 VanDerWaalsContact CB-O 3.32Å; T26-W100 WeakPolarHBondContact CB-O 3.45Å; T26-W100 WeakPolarHBondContact O-CB 3.05Å; T26-W100 PolarHBondContact O-N 3.06Å; T26-I102 HydrophobicContact CG2-CD1 3.96Å; T26-I102 HydrophobicContact CG2-CG1 3.85Å; T26-L112 HydrophobicContact CG2-CD2 3.93Å
27	V	97.3	Very high	97.8	Very high	21 Å²	21	29.7 Å²	29.7	13%	0.127	16%	0.162	C	C	.	.	B	Isolated β-bridge	trans	-70	115.3	175.7	174.6	0	0	0	0	110.3	S9 V25 A29 K57 R98 D99	S9-V27 WeakPolarHBondContact O-CB 3.47Å; S9-V27 WeakPolarHBondContact O-CG2 3.47Å; S9-V27 PolarHBondContact O-N 2.97Å; V25-V27 PolarHBondContact O-N 2.79Å; V27-A29 PolarHBondContact O-N 2.68Å; V27-K57 PolarHBondContact O-NZ 2.94Å; V27-R98 CarbonylContact C-O 3.52Å; V27-R98 VanDerWaalsContact CA-O 3.3Å; V27-R98 WeakPolarHBondContact CA-O 3.37Å; V27-D99 HydrophobicContact CG2-CB 4.28Å
28	G	97.6	Very high	97.8	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.4	18.1	-176.4	0	0	0	0	0	114.5	T26 G30 V58 L95 A96 R98	T26-G28 PolarHBondContact O-N 3.37Å; T26-G28 VanDerWaalsContact O-N 3.16Å; G28-G30 PolarHBondContact O-N 3.3Å; G28-V58 PolarHBondContact O-N 2.92Å; G28-L95 WeakPolarHBondContact CA-O 3.23Å; G28-A96 VanDerWaalsContact CA-O 3.23Å; G28-A96 WeakPolarHBondContact CA-O 3.09Å; G28-R98 PolarHBondContact N-O 3.3Å
29	A	97.7	Very high	97.8	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	44.4	50.8	-170.6	0	0	0	0	0	110.8	V25 T26 V27 V58 W100 L112 V130 Y132	V25-A29 CarbonylContact O-C 3.52Å; V25-A29 WeakPolarHBondContact O-CA 3.23Å; T26-A29 PolarHBondContact O-N 2.88Å; V27-A29 PolarHBondContact O-N 2.68Å; A29-V58 HydrophobicContact CB-CG2 4.17Å; A29-W100 HydrophobicContact CB-CD2 3.81Å; A29-W100 HydrophobicContact CB-CE3 4.21Å; A29-W100 HydrophobicContact CB-CG 3.96Å; A29-L112 HydrophobicContact CB-CB 4.35Å; A29-L112 HydrophobicContact CB-CD1 4.48Å; A29-L112 HydrophobicContact CB-CD2 4.34Å; A29-V130 HydrophobicContact CB-CB 4.18Å; A29-V130 HydrophobicContact CB-CG1 4.5Å; A29-V130 HydrophobicContact CB-CG2 4.02Å; A29-Y132 PolarHBondContact O-OH 2.76Å
30	G	97.4	Very high	97.8	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	139.2	-163.7	0	0	0	0	0	113.8	I24 V25 G28 A32 G56	I24-G30 CarbonylContact C-O 3.51Å; I24-G30 WeakPolarHBondContact CA-O 3.45Å; V25-G30 WeakPolarHBondContact CG2-O 3.2Å; V25-G30 PolarHBondContact N-O 2.94Å; V25-G30 PolarHBondContact O-N 3.14Å; G28-G30 PolarHBondContact O-N 3.3Å; G30-A32 PolarHBondContact O-N 3.31Å; G30-G56 CarbonylContact C-O 3.52Å; G30-G56 VanDerWaalsContact CA-O 3.26Å; G30-G56 WeakPolarHBondContact CA-O 3.15Å
31	L	97.9	Very high	97.8	Very high	12 Å²	12	27.8 Å²	27.8	6%	0.063	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	105	163	179.6	61.3	0	0	0	109.4	I24 E33 L34 V42 G56 Y132 L140	I24-L31 HydrophobicContact CD1-CD1 3.58Å; L31-E33 WeakPolarHBondContact CD1-O 3.37Å; L31-L34 HydrophobicContact CD1-CB 4.36Å; L31-L34 HydrophobicContact CD2-CB 4.46Å; L31-V42 HydrophobicContact CD2-CG1 4.01Å; L31-V42 HydrophobicContact CD2-CG2 4.34Å; L31-V42 HydrophobicContact CG-CG2 4.4Å; L31-G56 PolarHBondContact N-O 2.94Å; L31-Y132 HydrophobicContact CB-CE1 4.47Å; L31-L140 HydrophobicContact CD1-CD2 3.72Å; L31-L140 HydrophobicContact CD2-CD2 3.81Å; L31-L140 HydrophobicContact CG-CD2 4.4Å
32	A	97.1	Very high	97.8	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	-32.7	-177.1	0	0	0	0	0	114.1	T23 V25 G30 P44 H45	T23-A32 HydrophobicContact CG2-CB 4.13Å; T23-A32 WeakPolarHBondContact O-CA 3.47Å; T23-A32 PolarHBondContact O-N 3.14Å; V25-A32 HydrophobicContact CG1-CB 3.76Å; V25-A32 HydrophobicContact CG2-CB 4.2Å; G30-A32 PolarHBondContact O-N 3.31Å; A32-P44 CarbonylContact O-C 3.56Å; A32-P44 VanDerWaalsContact O-CA 3.25Å; A32-P44 WeakPolarHBondContact O-CA 3.35Å; A32-H45 WeakPolarHBondContact CA-CE1 3.3Å; A32-H45 PolarHBondContact O-N 3.16Å
33	E	97.9	Very high	97.7	Very high	61 Å²	61	24.2 Å²	24.2	29%	0.285	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	146	176.2	-175.9	173.5	-99.4	0	0	109.9	A22 T23 L31 T35 H40 P44	A22-E33 CarbonylContact C-O 3.58Å; A22-E33 VanDerWaalsContact CA-O 3.32Å; A22-E33 WeakPolarHBondContact CA-O 3.21Å; T23-E33 PolarHBondContact N-O 3.08Å; T23-E33 PolarHBondContact O-N 3.02Å; L31-E33 WeakPolarHBondContact CD1-O 3.37Å; E33-T35 HydrophobicContact CG-CG2 3.95Å; E33-H40 IonicContact OE1-CE1 3.94Å; E33-H40 PolarHBondContact OE1-CE1 3.3Å; E33-H40 VanDerWaalsContact OE1-CE1 3.24Å; E33-H40 IonicContact OE1-ND1 3.98Å; E33-P44 HydrophobicContact CB-CB 4.4Å; E33-P44 HydrophobicContact CG-CB 4.23Å
34	L	98.6	Very high	97.7	Very high	17 Å²	17	25 Å²	25	9%	0.089	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	124.1	168.2	-179.7	64.7	0	0	0	108.1	H21 A22 L31 L41 V42 L134 L140	H21-L34 WeakPolarHBondContact O-CA 3.37Å; A22-L34 HydrophobicContact CB-CD1 3.91Å; L31-L34 HydrophobicContact CD1-CB 4.36Å; L31-L34 HydrophobicContact CD2-CB 4.46Å; L34-L41 HydrophobicContact CD2-CB 4.21Å; L34-L41 HydrophobicContact CD2-CD1 4.27Å; L34-L41 HydrophobicContact CG-CB 4.21Å; L34-L41 HydrophobicContact CG-CD1 4.2Å; L34-L41 PolarHBondContact O-N 3.15Å; L34-V42 HydrophobicContact CB-CG1 4.24Å; L34-V42 HydrophobicContact CB-CG2 3.77Å; L34-V42 HydrophobicContact CD2-CG1 4.46Å; L34-L134 HydrophobicContact CD1-CD1 4.18Å; L34-L140 HydrophobicContact CD1-CB 4.05Å; L34-L140 HydrophobicContact CD1-CD2 4.36Å; L34-L140 HydrophobicContact CD2-CB 4.12Å; L34-L140 HydrophobicContact CD2-CD2 4.22Å
35	T	98.6	Very high	97.6	Very high	12 Å²	12	26 Å²	26	7%	0.074	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	154.4	177.9	65.1	0	0	0	0	112	Y20 H21 E33 C39	Y20-T35 WeakPolarHBondContact CA-O 3.3Å; H21-T35 PolarHBondContact N-O 2.82Å; H21-T35 PolarHBondContact O-N 3.18Å; E33-T35 HydrophobicContact CG-CG2 3.95Å; T35-C39 CarbonylContact C-O 3.43Å; T35-C39 WeakPolarHBondContact CA-O 3.26Å; T35-C39 WeakPolarHBondContact CB-O 3.44Å
36	F	98	Very high	97.4	Very high	56 Å²	56	31.6 Å²	31.6	25%	0.246	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	123.6	168.8	176.8	-106.1	0	0	0	108.7	D19 Y20 G38 C39 L41	D19-F36 HydrophobicContact CB-CD2 3.85Å; D19-F36 HydrophobicContact CB-CE2 3.64Å; D19-F36 HydrophobicContact CB-CZ 4.38Å; D19-F36 WeakPolarHBondContact O-CA 3.37Å; Y20-F36 HydrophobicContact CD1-CB 3.84Å; Y20-F36 AromaticContact CD1-CD2 3.76Å; Y20-F36 HydrophobicContact CD1-CD2 3.76Å; Y20-F36 HydrophobicContact CD1-CG 4.24Å; Y20-F36 AromaticContact CD2-CD2 3.74Å; Y20-F36 HydrophobicContact CD2-CD2 3.74Å; Y20-F36 HydrophobicContact CD2-CE2 4.12Å; Y20-F36 HydrophobicContact CE1-CB 3.65Å; Y20-F36 AromaticContact CE1-CD2 3.51Å; Y20-F36 HydrophobicContact CE1-CD2 3.51Å; Y20-F36 HydrophobicContact CE1-CE2 4.43Å; Y20-F36 AromaticContact CE1-CG 3.85Å; Y20-F36 HydrophobicContact CE1-CG 3.85Å; Y20-F36 AromaticContact CE2-CD2 3.47Å; Y20-F36 HydrophobicContact CE2-CD2 3.47Å; Y20-F36 VanDerWaalsContact CE2-CD2 3.47Å; Y20-F36 AromaticContact CE2-CE2 3.65Å; Y20-F36 HydrophobicContact CE2-CE2 3.65Å; Y20-F36 AromaticContact CG-CD2 3.87Å; Y20-F36 HydrophobicContact CG-CD2 3.87Å; Y20-F36 AromaticContact CZ-CD2 3.35Å; Y20-F36 AromaticContact CZ-CE2 3.82Å; Y20-F36 AromaticContact CZ-CG 3.98Å; F36-G38 PolarHBondContact O-N 3.18Å; F36-G38 VanDerWaalsContact O-N 3.14Å; F36-C39 PolarHBondContact N-O 2.79Å; F36-C39 WeakPolarHBondContact O-CB 3.41Å; F36-C39 PolarHBondContact O-N 3.33Å; F36-L41 HydrophobicContact CB-CD1 3.84Å; F36-L41 HydrophobicContact CB-CD2 4.34Å; F36-L41 HydrophobicContact CB-CG 4.29Å
37	Q	97.1	Very high	97.2	Very high	131 Å²	131	32.5 Å²	32.5	61%	0.612	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.4	35.9	-174.2	-61.1	-175.6	-18.1	0	0	112.8	D19 C39	D19-Q37 HydrophobicContact CB-CG 3.65Å; D19-Q37 PolarHBondContact O-N 3.43Å; D19-Q37 WeakPolarHBondContact OD2-CG 3.3Å; D19-Q37 PolarHBondContact OD2-NE2 2.72Å; Q37-C39 PolarHBondContact O-N 2.76Å
38	G	96.5	Very high	96.9	Very high	59 Å²	59	36.1 Å²	36.1	61%	0.608	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	76	-1.3	-178.1	0	0	0	0	0	115.8	F36	F36-G38 PolarHBondContact O-N 3.18Å; F36-G38 VanDerWaalsContact O-N 3.14Å
39	C	97.8	Very high	96.7	Very high	41 Å²	41	40.9 Å²	40.9	28%	0.277	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	133.4	174.2	-64.4	0	0	0	0	110.5	T35 F36 Q37 L41 N167 L238	T35-C39 CarbonylContact C-O 3.43Å; T35-C39 WeakPolarHBondContact CA-O 3.26Å; T35-C39 WeakPolarHBondContact CB-O 3.44Å; F36-C39 PolarHBondContact N-O 2.79Å; F36-C39 WeakPolarHBondContact O-CB 3.41Å; F36-C39 PolarHBondContact O-N 3.33Å; Q37-C39 PolarHBondContact O-N 2.76Å; C39-L41 PolarHBondContact O-N 3.08Å; C39-N167 HydrophobicContact CB-CB 4.25Å; C39-L238 HydrophobicContact CB-CD2 4.15Å
40	H	98.3	Very high	96.4	Very high	37 Å²	37	47 Å²	47	17%	0.171	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	129.8	176.3	-67.1	-72.9	0	0	0	111.4	E33 T165 N167 L168	E33-H40 IonicContact OE1-CE1 3.94Å; E33-H40 PolarHBondContact OE1-CE1 3.3Å; E33-H40 VanDerWaalsContact OE1-CE1 3.24Å; E33-H40 IonicContact OE1-ND1 3.98Å; H40-T165 HydrophobicContact CB-CG2 4.12Å; H40-T165 VanDerWaalsContact O-O 3.06Å; H40-N167 PolarHBondContact N-OD1 2.79Å; H40-N167 VanDerWaalsContact N-OD1 3.14Å; H40-N167 WeakPolarHBondContact O-CA 3.31Å; H40-N167 PolarHBondContact O-N 3.15Å; H40-L168 HydrophobicContact CB-CD2 4.34Å; H40-L168 HydrophobicContact CB-CG 4.23Å
41	L	98.4	Very high	96.1	Very high	17 Å²	17	47.4 Å²	47.4	9%	0.089	25%	0.249	C	C	.	.	S	Bend	trans	-101.5	-20.2	173.5	-53.9	-175.7	0	0	0	112.1	Y20 L34 F36 C39 L164 T165 V240	Y20-L41 HydrophobicContact CD1-CD1 4.35Å; Y20-L41 HydrophobicContact CE1-CD1 3.85Å; L34-L41 HydrophobicContact CD2-CB 4.21Å; L34-L41 HydrophobicContact CD2-CD1 4.27Å; L34-L41 HydrophobicContact CG-CB 4.21Å; L34-L41 HydrophobicContact CG-CD1 4.2Å; L34-L41 PolarHBondContact O-N 3.15Å; F36-L41 HydrophobicContact CB-CD1 3.84Å; F36-L41 HydrophobicContact CB-CD2 4.34Å; F36-L41 HydrophobicContact CB-CG 4.29Å; C39-L41 PolarHBondContact O-N 3.08Å; L41-L164 WeakPolarHBondContact O-CA 3.44Å; L41-T165 CarbonylContact C-O 3.53Å; L41-T165 WeakPolarHBondContact CA-O 3.25Å; L41-T165 PolarHBondContact O-N 3.31Å; L41-V240 HydrophobicContact CB-CG1 4.27Å; L41-V240 HydrophobicContact CB-CG2 4.42Å; L41-V240 HydrophobicContact CD2-CG2 3.82Å
42	V	98.4	Very high	95.9	Very high	6 Å²	6	52 Å²	52	4%	0.036	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-128.5	155.8	168.9	-56.1	0	0	0	0	110.2	L31 L34 P44 Y163 L164 T165	L31-V42 HydrophobicContact CD2-CG1 4.01Å; L31-V42 HydrophobicContact CD2-CG2 4.34Å; L31-V42 HydrophobicContact CG-CG2 4.4Å; L34-V42 HydrophobicContact CB-CG1 4.24Å; L34-V42 HydrophobicContact CB-CG2 3.77Å; L34-V42 HydrophobicContact CD2-CG1 4.46Å; V42-P44 WeakPolarHBondContact O-CD 3.2Å; V42-Y163 CarbonylContact C-O 3.58Å; V42-Y163 WeakPolarHBondContact CA-O 3.38Å; V42-Y163 WeakPolarHBondContact CB-O 3.23Å; V42-L164 HydrophobicContact CG1-CD2 4.15Å; V42-T165 VanDerWaalsContact C-CG2 3.47Å
43	I	98.1	Very high	95.7	Very high	15 Å²	15	52.9 Å²	52.9	8%	0.077	28%	0.28	C	S	.	.			trans	-61.7	120.7	171.2	-59.1	179.3	0	0	0	108.8	L55 Y163 L168 L257 Q260	I43-L55 HydrophobicContact CB-CD2 3.89Å; I43-L55 HydrophobicContact CG2-CD2 4.1Å; I43-Y163 HydrophobicContact CD1-CD1 4.15Å; I43-Y163 HydrophobicContact CD1-CG 4.19Å; I43-Y163 PolarHBondContact N-O 3.23Å; I43-L168 HydrophobicContact CG1-CD2 4.47Å; I43-L257 HydrophobicContact CD1-CB 4.32Å; I43-L257 HydrophobicContact CD1-CD1 3.79Å; I43-Q260 HydrophobicContact CD1-CB 4.18Å
44	P	97.5	Very high	95.6	Very high	39 Å²	39	51.5 Å²	51.5	25%	0.253	27%	0.274	S	S	.	.			trans	-76.3	153	179.4	33	-36	0	0	0	111.3	A32 E33 V42	A32-P44 CarbonylContact O-C 3.56Å; A32-P44 VanDerWaalsContact O-CA 3.25Å; A32-P44 WeakPolarHBondContact O-CA 3.35Å; E33-P44 HydrophobicContact CB-CB 4.4Å; E33-P44 HydrophobicContact CG-CB 4.23Å; V42-P44 WeakPolarHBondContact O-CD 3.2Å
45	H	95	Very high	95.5	Very high	21 Å²	21	51.2 Å²	51.2	10%	0.097	27%	0.272	C	S	.	.			trans	-133.3	146.7	161.7	68.2	-88.2	0	0	0	111	A32 P51	A32-H45 WeakPolarHBondContact CA-CE1 3.3Å; A32-H45 PolarHBondContact O-N 3.16Å; H45-P51 HydrophobicContact CB-CB 4.29Å
46	K	93.4	Very high	95.4	Very high	118 Å²	118	50.8 Å²	50.8	51%	0.513	27%	0.27	S	S	.	.			trans	-73	133.1	176.8	-63.1	-172.4	-153	141.3	0	110.1	E48 E49	K46-E48 PolarHBondContact O-N 3.11Å; K46-E48 VanDerWaalsContact O-N 3.13Å; K46-E49 HydrophobicContact CB-CB 4.35Å; K46-E49 HydrophobicContact CB-CG 4.18Å; K46-E49 WeakPolarHBondContact CD-OE1 3.28Å; K46-E49 IonicContact NZ-OE1 3.14Å; K46-E49 PolarHBondContact NZ-OE1 2.99Å; K46-E49 PolarHBondContact O-N 3.14Å
47	P	92	Very high	95.4	Very high	19 Å²	19	48.1 Å²	48.1	12%	0.123	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-29.1	176.2	-27.3	35.7	0	0	0	114	H7 C8 S9 T12 V25 E49	H7-P47 HydrophobicContact CB-CB 4.23Å; H7-P47 VanDerWaalsContact CB-O 3.28Å; H7-P47 WeakPolarHBondContact CB-O 3.44Å; C8-P47 PolarHBondContact N-O 2.72Å; S9-P47 WeakPolarHBondContact CB-O 3.39Å; S9-P47 PolarHBondContact N-O 2.89Å; S9-P47 PolarHBondContact OG-O 2.86Å; T12-P47 HydrophobicContact CG2-CG 3.99Å; T12-P47 WeakPolarHBondContact OG1-CB 3.13Å; T12-P47 WeakPolarHBondContact OG1-CG 3.22Å; V25-P47 HydrophobicContact CG1-CB 4.15Å; V25-P47 HydrophobicContact CG1-CG 4.11Å; P47-E49 VanDerWaalsContact C-N 3.27Å; P47-E49 PolarHBondContact O-N 2.66Å
48	E	92.2	Very high	95.4	Very high	98 Å²	98	41.9 Å²	41.9	46%	0.458	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-19.6	176.7	-62.1	71.6	-160.7	0	0	113.9	H7 C8 K46	H7-E48 IonicContact CE1-OE1 2.71Å; H7-E48 PolarHBondContact CE1-OE1 3Å; H7-E48 WeakPolarHBondContact ND1-CG 3.45Å; H7-E48 IonicContact ND1-OE1 3.93Å; H7-E48 PolarHBondContact ND1-OE1 3.09Å; H7-E48 IonicContact NE2-OE1 3.04Å; C8-E48 PolarHBondContact SG-O 3.3Å; K46-E48 PolarHBondContact O-N 3.11Å; K46-E48 VanDerWaalsContact O-N 3.13Å
49	E	92.3	Very high	95.5	Very high	100 Å²	100	39 Å²	39	47%	0.467	20%	0.2	S	C	.	.	S	Bend	trans	-107.9	147.2	-175.2	-64.6	174.1	-169.2	0	0	109.7	K46 P47 P51	K46-E49 HydrophobicContact CB-CB 4.35Å; K46-E49 HydrophobicContact CB-CG 4.18Å; K46-E49 WeakPolarHBondContact CD-OE1 3.28Å; K46-E49 IonicContact NZ-OE1 3.14Å; K46-E49 PolarHBondContact NZ-OE1 2.99Å; K46-E49 PolarHBondContact O-N 3.14Å; P47-E49 VanDerWaalsContact C-N 3.27Å; P47-E49 PolarHBondContact O-N 2.66Å; E49-P51 VanDerWaalsContact O-CD 3.32Å; E49-P51 WeakPolarHBondContact O-CD 3.41Å
50	M	91.1	Very high	95.5	Very high	129 Å²	129	37.1 Å²	37.1	64%	0.635	19%	0.187	S	C	*	.	P	Polyproline II helix	trans	-74.2	119.4	171.5	-173	-171.9	82.7	0	0	108.6	W97	M50-W97 HydrophobicContact CG-CZ3 4.21Å
51	P	92.4	Very high	95.4	Very high	8 Å²	8	35.3 Å²	35.3	5%	0.052	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-63.9	140.8	178.1	21.3	-29.2	0	0	0	111.3	H45 E49 L55 W97	H45-P51 HydrophobicContact CB-CB 4.29Å; E49-P51 VanDerWaalsContact O-CD 3.32Å; E49-P51 WeakPolarHBondContact O-CD 3.41Å; P51-L55 HydrophobicContact CB-CB 3.91Å; P51-L55 HydrophobicContact CB-CD1 4.43Å; P51-W97 HydrophobicContact CG-CH2 4.35Å; P51-W97 HydrophobicContact CG-CZ3 4.16Å
52	L	92.9	Very high	95.3	Very high	107 Å²	107	34.9 Å²	34.9	56%	0.56	18%	0.176	S	C	*	.	S	Bend	trans	-78.9	160.8	168.7	-63.5	-179.9	0	0	0	110.7	H54 L55 L257	L52-H54 PolarHBondContact O-N 2.81Å; L52-L55 WeakPolarHBondContact O-CD1 3.39Å; L52-L55 VanDerWaalsContact O-CG 3.28Å; L52-L55 WeakPolarHBondContact O-CG 3.23Å; L52-L55 PolarHBondContact O-N 2.99Å; L52-L55 VanDerWaalsContact O-N 3.09Å; L52-L257 HydrophobicContact CB-CD2 3.93Å
53	A	93.6	Very high	95.2	Very high	20 Å²	20	34.7 Å²	34.7	17%	0.165	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	33.8	166.1	0	0	0	0	0	115.8	L55 Y163 K256 L257	A53-L55 PolarHBondContact O-N 3.15Å; A53-Y163 HydrophobicContact CB-CE2 4.49Å; A53-Y163 VanDerWaalsContact CB-OH 3.29Å; A53-Y163 WeakPolarHBondContact CB-OH 3.47Å; A53-Y163 WeakPolarHBondContact O-CE2 3.39Å; A53-Y163 PolarHBondContact O-OH 2.91Å; A53-Y163 VanDerWaalsContact O-OH 3.14Å; A53-K256 HydrophobicContact CB-CB 4.2Å; A53-K256 HydrophobicContact CB-CD 4.24Å; A53-L257 HydrophobicContact CB-CD1 4.39Å; A53-L257 HydrophobicContact CB-CD2 4.33Å; A53-L257 HydrophobicContact CB-CG 4.25Å
54	H	95.7	Very high	95.1	Very high	31 Å²	31	34.1 Å²	34.1	14%	0.144	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	28.1	-179.2	-59.5	86.1	0	0	0	114.6	L52 G56 K57 H92 W97	L52-H54 PolarHBondContact O-N 2.81Å; H54-G56 PolarHBondContact O-N 2.99Å; H54-K57 HydrophobicContact CB-CB 4.38Å; H54-K57 HydrophobicContact CB-CG 4.3Å; H54-K57 WeakPolarHBondContact O-CB 3.46Å; H54-K57 WeakPolarHBondContact O-CG 3.48Å; H54-K57 PolarHBondContact O-N 2.96Å; H54-H92 AromaticContact CE1-CD2 3.53Å; H54-H92 AromaticContact CG-CD2 3.76Å; H54-H92 AromaticContact ND1-CD2 3.41Å; H54-H92 PolarHBondContact ND1-CD2 3.18Å; H54-H92 AromaticContact NE2-CD2 3.94Å; H54-W97 AromaticContact CD2-CE2 3.72Å; H54-W97 AromaticContact CD2-CZ2 3.55Å; H54-W97 AromaticContact CD2-NE1 3.48Å; H54-W97 PolarHBondContact CD2-NE1 3.49Å; H54-W97 AromaticContact NE2-CE2 3.7Å; H54-W97 AromaticContact NE2-CZ2 3.69Å; H54-W97 AromaticContact NE2-NE1 3.13Å; H54-W97 PolarHBondContact NE2-NE1 2.81Å; H54-W97 VanDerWaalsContact NE2-NE1 3.13Å
55	L	95.3	Very high	95	Very high	11 Å²	11	33 Å²	33	6%	0.058	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-44	113.2	179.1	-82.9	159.2	0	0	0	112.4	I43 P51 L52 A53 K57 Y163 L257	I43-L55 HydrophobicContact CB-CD2 3.89Å; I43-L55 HydrophobicContact CG2-CD2 4.1Å; P51-L55 HydrophobicContact CB-CB 3.91Å; P51-L55 HydrophobicContact CB-CD1 4.43Å; L52-L55 WeakPolarHBondContact O-CD1 3.39Å; L52-L55 VanDerWaalsContact O-CG 3.28Å; L52-L55 WeakPolarHBondContact O-CG 3.23Å; L52-L55 PolarHBondContact O-N 2.99Å; L52-L55 VanDerWaalsContact O-N 3.09Å; A53-L55 PolarHBondContact O-N 3.15Å; L55-K57 VanDerWaalsContact C-N 3.28Å; L55-K57 PolarHBondContact O-N 2.83Å; L55-Y163 HydrophobicContact CD2-CD2 3.34Å; L55-Y163 HydrophobicContact CD2-CE2 3.98Å; L55-Y163 HydrophobicContact CD2-CG 3.71Å; L55-Y163 HydrophobicContact CG-CD2 4.04Å; L55-Y163 HydrophobicContact CG-CE2 4.2Å; L55-L257 HydrophobicContact CD1-CD1 3.93Å; L55-L257 HydrophobicContact CD1-CD2 4.21Å; L55-L257 HydrophobicContact CD2-CD1 3.68Å; L55-L257 HydrophobicContact CG-CD1 3.85Å
56	G	96.6	Very high	94.9	Very high	3 Å²	3	32.1 Å²	32.1	3%	0.031	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.8	5.7	173.4	0	0	0	0	0	115.8	G30 L31 H54 H161	G30-G56 CarbonylContact C-O 3.52Å; G30-G56 VanDerWaalsContact CA-O 3.26Å; G30-G56 WeakPolarHBondContact CA-O 3.15Å; L31-G56 PolarHBondContact N-O 2.94Å; H54-G56 PolarHBondContact O-N 2.99Å; G56-H161 WeakPolarHBondContact CA-O 3.29Å; G56-H161 PolarHBondContact N-O 3.29Å
57	K	97.9	Very high	94.9	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.14	C	C	.	.			trans	-77.9	149.4	-172.9	-56.9	-56.9	178.8	-171.3	0	112.8	V27 H54 L55 L59 A96 H161	V27-K57 PolarHBondContact O-NZ 2.94Å; H54-K57 HydrophobicContact CB-CB 4.38Å; H54-K57 HydrophobicContact CB-CG 4.3Å; H54-K57 WeakPolarHBondContact O-CB 3.46Å; H54-K57 WeakPolarHBondContact O-CG 3.48Å; H54-K57 PolarHBondContact O-N 2.96Å; L55-K57 VanDerWaalsContact C-N 3.28Å; L55-K57 PolarHBondContact O-N 2.83Å; K57-L59 HydrophobicContact CB-CD2 4.44Å; K57-A96 HydrophobicContact CB-CB 4.13Å; K57-A96 WeakPolarHBondContact CD-O 3.36Å; K57-H161 PolarHBondContact O-N 3.37Å
58	V	98.2	Very high	94.9	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	135	168.9	173.3	0	0	0	0	110.2	G28 A29 I60 A96 W100 V130 I144 I160	G28-V58 PolarHBondContact O-N 2.92Å; A29-V58 HydrophobicContact CB-CG2 4.17Å; V58-I60 HydrophobicContact CG1-CD1 3.62Å; V58-I60 HydrophobicContact CG1-CG1 3.88Å; V58-A96 WeakPolarHBondContact O-CA 3.42Å; V58-W100 HydrophobicContact CG1-CZ2 4.49Å; V58-V130 HydrophobicContact CB-CG2 4.43Å; V58-V130 HydrophobicContact CG1-CG2 4.05Å; V58-V130 HydrophobicContact CG2-CG1 4.29Å; V58-V130 HydrophobicContact CG2-CG2 3.99Å; V58-I144 HydrophobicContact CG1-CD1 4.11Å; V58-I144 HydrophobicContact CG1-CG2 4.37Å; V58-I144 HydrophobicContact CG2-CD1 4.35Å; V58-I160 HydrophobicContact CG2-CD1 4.21Å; V58-I160 HydrophobicContact CG2-CG1 4.29Å
59	L	98.3	Very high	95.1	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	95.3	-168.6	-41.2	174.2	0	0	0	109.6	K57 P63 H92 V158 G159 H161	K57-L59 HydrophobicContact CB-CD2 4.44Å; L59-P63 HydrophobicContact CB-CB 4.21Å; L59-P63 HydrophobicContact CD1-CB 4.03Å; L59-H92 WeakPolarHBondContact CD1-ND1 3.35Å; L59-H92 HydrophobicContact CD2-CB 3.78Å; L59-V158 WeakPolarHBondContact O-CA 3.35Å; L59-G159 WeakPolarHBondContact CB-O 3.46Å; L59-G159 PolarHBondContact N-O 2.8Å; L59-G159 PolarHBondContact O-N 2.97Å; L59-G159 VanDerWaalsContact O-N 3.14Å; L59-H161 HydrophobicContact CD1-CB 4.26Å; L59-H161 HydrophobicContact CD2-CB 4.15Å; L59-H161 HydrophobicContact CG-CB 4.46Å
60	I	97.6	Very high	95.2	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.125	C	C	.	.			trans	-135.1	136.2	-177.7	-67.7	168.8	0	0	0	108.5	V58 G93 L94 L95 W100 L126 I144 Y156 V158	V58-I60 HydrophobicContact CG1-CD1 3.62Å; V58-I60 HydrophobicContact CG1-CG1 3.88Å; I60-G93 CarbonylContact O-C 3.5Å; I60-G93 WeakPolarHBondContact O-CA 3.29Å; I60-L94 PolarHBondContact O-N 2.81Å; I60-L95 HydrophobicContact CB-CB 4.28Å; I60-L95 HydrophobicContact CB-CD1 3.97Å; I60-L95 HydrophobicContact CB-CG 4.3Å; I60-L95 HydrophobicContact CD1-CD1 4.37Å; I60-L95 HydrophobicContact CG2-CD1 3.69Å; I60-L95 HydrophobicContact CG2-CG 4.24Å; I60-L95 PolarHBondContact O-N 3.03Å; I60-L95 VanDerWaalsContact O-N 3.11Å; I60-W100 HydrophobicContact CD1-CH2 3.84Å; I60-W100 HydrophobicContact CD1-CZ2 4.2Å; I60-L126 HydrophobicContact CG2-CD1 4.17Å; I60-I144 HydrophobicContact CD1-CG2 3.87Å; I60-Y156 HydrophobicContact CG2-CE2 3.99Å; I60-V158 HydrophobicContact CD1-CG2 4.33Å; I60-V158 HydrophobicContact CG1-CB 4.42Å; I60-V158 HydrophobicContact CG1-CG2 3.81Å
61	P	96.8	Very high	95.2	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.095	C	C	.	.	S	Bend	cis	-102.5	22.7	8.6	37.1	-31.3	0	0	0	114.9	L116 Y122 L126 Y156 G157 F274	P61-L116 HydrophobicContact CB-CD2 4.42Å; P61-L116 HydrophobicContact CG-CD2 3.88Å; P61-Y122 HydrophobicContact CB-CE1 4.3Å; P61-Y122 HydrophobicContact CB-CE2 4.24Å; P61-Y122 HydrophobicContact CG-CD1 4.21Å; P61-Y122 HydrophobicContact CG-CD2 4.12Å; P61-Y122 HydrophobicContact CG-CE1 3.73Å; P61-Y122 HydrophobicContact CG-CE2 3.64Å; P61-Y122 HydrophobicContact CG-CG 4.39Å; P61-Y122 VanDerWaalsContact CG-CZ 3.44Å; P61-L126 HydrophobicContact CB-CD1 3.58Å; P61-L126 HydrophobicContact CG-CD1 4.41Å; P61-Y156 HydrophobicContact CB-CD2 3.95Å; P61-Y156 HydrophobicContact CB-CE2 4.37Å; P61-Y156 CarbonylContact O-C 3.51Å; P61-G157 CarbonylContact C-O 3.58Å; P61-G157 WeakPolarHBondContact CA-O 3.41Å; P61-G157 PolarHBondContact O-N 3.21Å; P61-F274 WeakPolarHBondContact O-CZ 3.14Å
62	W	96.1	Very high	95.1	Very high	7 Å²	7	24.1 Å²	24.1	3%	0.027	12%	0.121	C	C	.	.			trans	-150.4	140.4	163.5	62.8	95.8	0	0	0	108.3	N64 I66 L80 A90 H92 G93 L94 Y122 G157 F274	W62-N64 VanDerWaalsContact CD1-O 3.23Å; W62-N64 PolarHBondContact NE1-O 3.31Å; W62-I66 HydrophobicContact CB-CD1 4.32Å; W62-I66 HydrophobicContact CD2-CD1 3.46Å; W62-I66 VanDerWaalsContact CD2-CD1 3.46Å; W62-I66 HydrophobicContact CD2-CG1 4.32Å; W62-I66 HydrophobicContact CE3-CD1 3.92Å; W62-I66 HydrophobicContact CG-CD1 3.6Å; W62-I66 HydrophobicContact CG-CG1 4.05Å; W62-I66 HydrophobicContact CZ2-CD1 4.35Å; W62-L80 HydrophobicContact CH2-CD1 3.68Å; W62-L80 HydrophobicContact CH2-CD2 3.68Å; W62-L80 HydrophobicContact CH2-CG 4.23Å; W62-L80 HydrophobicContact CZ2-CD1 3.79Å; W62-L80 HydrophobicContact CZ3-CD1 4.06Å; W62-L80 HydrophobicContact CZ3-CD2 4.02Å; W62-A90 HydrophobicContact CZ2-CB 4.1Å; W62-A90 PolarHBondContact NE1-O 3.19Å; W62-A90 VanDerWaalsContact NE1-O 3.09Å; W62-H92 CarbonylContact O-C 3.57Å; W62-G93 VanDerWaalsContact CE2-CA 3.5Å; W62-G93 PolarHBondContact O-N 3.04Å; W62-G93 VanDerWaalsContact O-N 3.12Å; W62-L94 HydrophobicContact CH2-CD1 4.17Å; W62-L94 HydrophobicContact CH2-CD2 3.74Å; W62-L94 HydrophobicContact CH2-CG 3.59Å; W62-L94 HydrophobicContact CZ3-CD1 4.14Å; W62-L94 HydrophobicContact CZ3-CD2 4.5Å; W62-L94 HydrophobicContact CZ3-CG 3.88Å; W62-Y122 HydrophobicContact CZ3-CD2 4.39Å; W62-G157 PolarHBondContact N-O 2.99Å; W62-F274 HydrophobicContact CB-CE1 4.2Å; W62-F274 HydrophobicContact CB-CZ 4.05Å; W62-F274 HydrophobicContact CE3-CE2 4Å; W62-F274 HydrophobicContact CE3-CZ 4.19Å
63	P	95.8	Very high	94.8	Very high	2 Å²	2	21 Å²	21	1%	0.013	10%	0.102	C	C	.	.	S	Bend	trans	-80.2	163.2	163.3	36.8	-33.9	0	0	0	109.6	L59 M267	L59-P63 HydrophobicContact CB-CB 4.21Å; L59-P63 HydrophobicContact CD1-CB 4.03Å; P63-M267 HydrophobicContact CB-CB 4.27Å; P63-M267 HydrophobicContact CB-CG 3.66Å; P63-M267 HydrophobicContact CB-SD 3.6Å; P63-M267 VanDerWaalsContact CB-SD 3.6Å; P63-M267 HydrophobicContact CG-CB 3.8Å; P63-M267 HydrophobicContact CG-CG 3.75Å; P63-M267 HydrophobicContact CG-SD 3.77Å
64	N	96	Very high	94.2	Very high	4 Å²	4	24.7 Å²	24.7	2%	0.021	12%	0.116	C	C	.	.	S	Bend	trans	53.2	-152.9	175.4	-147.9	-69.9	0	0	0	113	W62 I91 H92 Q250 M267 P271	W62-N64 VanDerWaalsContact CD1-O 3.23Å; W62-N64 PolarHBondContact NE1-O 3.31Å; N64-I91 CarbonylContact O-C 3.6Å; N64-I91 VanDerWaalsContact O-CA 3.31Å; N64-I91 WeakPolarHBondContact O-CA 3.45Å; N64-H92 PolarHBondContact O-N 3Å; N64-Q250 PolarHBondContact ND2-OE1 3.08Å; N64-M267 HydrophobicContact CB-SD 4.05Å; N64-P271 HydrophobicContact CB-CB 3.77Å; N64-P271 HydrophobicContact CB-CG 3.91Å; N64-P271 WeakPolarHBondContact OD1-CB 3.46Å
65	R	95.4	Very high	93.6	Very high	16 Å²	16	26.5 Å²	26.5	6%	0.06	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	146.9	-167.4	-66.7	174.8	-179.1	94	12.4	113.3	E84 A89 A90 I91 A190 N272	R65-E84 IonicContact CZ-OE1 2.71Å; R65-E84 IonicContact CZ-OE2 3.93Å; R65-E84 IonicContact NE-OE1 3.65Å; R65-E84 IonicContact NE-OE2 3.06Å; R65-E84 PolarHBondContact NE-OE2 3.29Å; R65-E84 IonicContact NH2-OE1 2.66Å; R65-E84 PolarHBondContact NH2-OE1 2.98Å; R65-E84 IonicContact NH2-OE2 3.81Å; R65-E84 PolarHBondContact NH2-OE2 3.22Å; R65-A89 HydrophobicContact CB-CB 3.82Å; R65-A89 HydrophobicContact CG-CB 3.73Å; R65-A90 CarbonylContact C-O 3.52Å; R65-I91 HydrophobicContact CG-CB 4.43Å; R65-I91 HydrophobicContact CG-CD1 4.03Å; R65-I91 HydrophobicContact CG-CG1 3.89Å; R65-A190 PolarHBondContact NH1-O 3.24Å; R65-A190 VanDerWaalsContact NH1-O 3.11Å; R65-N272 WeakPolarHBondContact O-CA 3.18Å; R65-N272 PolarHBondContact O-N 3.49Å
66	I	94.5	Very high	93.2	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	117.2	152.8	-67.3	170.2	0	0	0	106.9	W62 N68 G69 C70 L80 A89 A90 F274	W62-I66 HydrophobicContact CB-CD1 4.32Å; W62-I66 HydrophobicContact CD2-CD1 3.46Å; W62-I66 VanDerWaalsContact CD2-CD1 3.46Å; W62-I66 HydrophobicContact CD2-CG1 4.32Å; W62-I66 HydrophobicContact CE3-CD1 3.92Å; W62-I66 HydrophobicContact CG-CD1 3.6Å; W62-I66 HydrophobicContact CG-CG1 4.05Å; W62-I66 HydrophobicContact CZ2-CD1 4.35Å; I66-N68 PolarHBondContact O-N 2.86Å; I66-G69 PolarHBondContact O-N 3.35Å; I66-C70 WeakPolarHBondContact CG2-O 3.25Å; I66-L80 HydrophobicContact CB-CD1 4.22Å; I66-L80 HydrophobicContact CD1-CD1 3.33Å; I66-L80 HydrophobicContact CG1-CD1 4.35Å; I66-L80 HydrophobicContact CG2-CD1 4.2Å; I66-A89 WeakPolarHBondContact O-CA 3.47Å; I66-A90 HydrophobicContact CB-CB 4.45Å; I66-A90 PolarHBondContact N-O 2.93Å; I66-A90 PolarHBondContact O-N 2.93Å; I66-A90 VanDerWaalsContact O-N 3.07Å; I66-F274 HydrophobicContact CD1-CB 4.39Å; I66-F274 HydrophobicContact CD1-CD2 3.37Å; I66-F274 HydrophobicContact CD1-CE2 3.71Å; I66-F274 HydrophobicContact CD1-CG 3.95Å; I66-F274 HydrophobicContact CG1-CD2 4.37Å
67	A	92.3	Very high	93	Very high	14 Å²	14	36.6 Å²	36.6	12%	0.116	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-60.8	133.6	-174.9	0	0	0	0	0	110.9	G69 C70 N272	A67-G69 PolarHBondContact O-N 2.91Å; A67-C70 PolarHBondContact O-N 3.49Å; A67-C70 VanDerWaalsContact O-N 3.15Å; A67-N272 PolarHBondContact N-OD1 2.83Å
68	N	93.1	Very high	92.9	Very high	102 Å²	102	38 Å²	38	55%	0.545	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	57.4	12	-175.6	-57.6	-56.2	0	0	0	114.6	I66 C70 Q79 K88	I66-N68 PolarHBondContact O-N 2.86Å; N68-C70 HydrophobicContact CB-CB 4.41Å; N68-C70 PolarHBondContact O-N 2.89Å; N68-Q79 PolarHBondContact O-NE2 3.09Å; N68-K88 CarbonylContact C-O 3.58Å; N68-K88 WeakPolarHBondContact CA-O 3.23Å; N68-K88 PolarHBondContact N-O 3.18Å; N68-K88 VanDerWaalsContact N-O 3.15Å
69	G	94.6	Very high	92.9	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	55.6	16.8	-170.1	0	0	0	0	0	113.5	I66 A67 Q79 L80	I66-G69 PolarHBondContact O-N 3.35Å; A67-G69 PolarHBondContact O-N 2.91Å; G69-Q79 PolarHBondContact O-NE2 2.93Å; G69-Q79 VanDerWaalsContact O-NE2 3.16Å; G69-L80 WeakPolarHBondContact O-CB 3.45Å; G69-L80 PolarHBondContact O-N 2.96Å
70	C	94.6	Very high	92.8	Very high	29 Å²	29	43.2 Å²	43.2	20%	0.196	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	137.2	-172.7	-179.1	0	0	0	0	109.1	I66 A67 N68 Y78 N275	I66-C70 WeakPolarHBondContact CG2-O 3.25Å; A67-C70 PolarHBondContact O-N 3.49Å; A67-C70 VanDerWaalsContact O-N 3.15Å; N68-C70 HydrophobicContact CB-CB 4.41Å; N68-C70 PolarHBondContact O-N 2.89Å; C70-Y78 WeakPolarHBondContact CA-O 3.47Å; C70-N275 PolarHBondContact O-ND2 3.28Å; C70-N275 PolarHBondContact O-OD1 3.24Å
71	Y	92.4	Very high	92.7	Very high	1 Å²	1	47.6 Å²	47.6	0%	0.004	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	158.1	173	68	-77.2	0	0	0	111.2	E77 Y78 L80 G121 P155 F274 N275	Y71-E77 WeakPolarHBondContact O-CA 3.39Å; Y71-Y78 HydrophobicContact CD2-CD2 4.11Å; Y71-Y78 VanDerWaalsContact CE1-CB 3.43Å; Y71-Y78 HydrophobicContact CE1-CD2 4.44Å; Y71-Y78 HydrophobicContact CE1-CG 4.31Å; Y71-Y78 AromaticContact CE2-CD2 3.42Å; Y71-Y78 HydrophobicContact CE2-CD2 3.42Å; Y71-Y78 VanDerWaalsContact CE2-CD2 3.42Å; Y71-Y78 HydrophobicContact CE2-CE2 4.27Å; Y71-Y78 HydrophobicContact CE2-CG 4.08Å; Y71-Y78 AromaticContact CZ-CD2 3.61Å; Y71-Y78 AromaticContact CZ-CG 3.78Å; Y71-Y78 PolarHBondContact N-O 3.03Å; Y71-Y78 VanDerWaalsContact N-O 3.09Å; Y71-Y78 PolarHBondContact O-N 2.97Å; Y71-L80 HydrophobicContact CD1-CD1 3.95Å; Y71-L80 HydrophobicContact CD1-CG 4.17Å; Y71-L80 HydrophobicContact CE1-CD1 3.87Å; Y71-L80 HydrophobicContact CE1-CD2 4.06Å; Y71-L80 HydrophobicContact CE1-CG 3.78Å; Y71-G121 VanDerWaalsContact CE1-O 3.25Å; Y71-G121 WeakPolarHBondContact CE1-O 3.43Å; Y71-G121 PolarHBondContact OH-O 3.01Å; Y71-P155 HydrophobicContact CD2-CG 4.49Å; Y71-P155 HydrophobicContact CE2-CG 3.87Å; Y71-F274 HydrophobicContact CD1-CD2 4.18Å; Y71-F274 HydrophobicContact CD2-CB 4.25Å; Y71-F274 AromaticContact CD2-CD2 3.81Å; Y71-F274 HydrophobicContact CD2-CD2 3.81Å; Y71-F274 HydrophobicContact CD2-CG 4.43Å; Y71-F274 HydrophobicContact CE1-CD2 4.44Å; Y71-F274 HydrophobicContact CE2-CD2 4.09Å; Y71-F274 HydrophobicContact CG-CB 4.15Å; Y71-F274 AromaticContact CG-CD2 3.87Å; Y71-F274 HydrophobicContact CG-CD2 3.87Å; Y71-N275 VanDerWaalsContact CA-OD1 3.31Å; Y71-N275 WeakPolarHBondContact CA-OD1 3.31Å
72	R	89.6	Confident	92.7	Very high	159 Å²	159	50.1 Å²	50.1	60%	0.6	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.7	128.1	174	-69.4	-173	-180	113.8	-2.3	110.3	Q76 E77	R72-Q76 CarbonylContact C-O 3.11Å; R72-Q76 WeakPolarHBondContact CA-O 3.42Å; R72-E77 HydrophobicContact CG-CB 4.05Å; R72-E77 HydrophobicContact CG-CG 4.18Å; R72-E77 IonicContact CZ-OE2 3.56Å; R72-E77 IonicContact NE-OE2 2.66Å; R72-E77 PolarHBondContact NE-OE2 2.87Å; R72-E77 IonicContact NH2-OE2 3.07Å; R72-E77 PolarHBondContact NH2-OE2 3.09Å
73	Y	85.5	Confident	92.7	Very high	42 Å²	42	53.5 Å²	53.5	17%	0.165	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	131.6	179	-177.5	-99.7	0	0	0	109.9	G75 Q76 F124 A153 P155	Y73-G75 PolarHBondContact O-N 2.84Å; Y73-G75 VanDerWaalsContact O-N 3.12Å; Y73-Q76 PolarHBondContact N-O 3.06Å; Y73-Q76 PolarHBondContact O-N 3.04Å; Y73-F124 HydrophobicContact CD1-CE1 4.2Å; Y73-F124 AromaticContact CD1-CZ 3.65Å; Y73-F124 HydrophobicContact CD1-CZ 3.65Å; Y73-F124 AromaticContact CE1-CE1 4Å; Y73-F124 HydrophobicContact CE1-CE1 4Å; Y73-F124 AromaticContact CE1-CZ 3.9Å; Y73-F124 HydrophobicContact CE1-CZ 3.9Å; Y73-A153 WeakPolarHBondContact CE1-O 3.48Å; Y73-A153 VanDerWaalsContact OH-C 3.3Å; Y73-A153 WeakPolarHBondContact OH-CB 3.49Å; Y73-A153 PolarHBondContact OH-O 3.04Å; Y73-P155 HydrophobicContact CD1-CG 4.29Å; Y73-P155 HydrophobicContact CD2-CB 3.89Å; Y73-P155 HydrophobicContact CD2-CG 4.04Å; Y73-P155 HydrophobicContact CE2-CB 4.06Å; Y73-P155 HydrophobicContact CE2-CG 4.38Å; Y73-P155 HydrophobicContact CG-CB 4.34Å; Y73-P155 HydrophobicContact CG-CG 3.97Å
74	Q	82.3	Confident	92.6	Very high	96 Å²	96	54.6 Å²	54.6	45%	0.449	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.5	37.3	-174.8	-61.9	-175.4	8.8	0	0	114.3	Q76	Q74-Q76 PolarHBondContact O-N 3.33Å
75	G	82.8	Confident	92.4	Very high	70 Å²	70	61.7 Å²	61.7	72%	0.722	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.9	-2	178	0	0	0	0	0	115.2	Y73	Y73-G75 PolarHBondContact O-N 2.84Å; Y73-G75 VanDerWaalsContact O-N 3.12Å
76	Q	87.3	Confident	92.2	Very high	115 Å²	115	65.9 Å²	65.9	54%	0.537	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	147.4	171.5	-65.5	-171.3	-15.6	0	0	110.4	R72 Y73 Q74 Y78	R72-Q76 CarbonylContact C-O 3.11Å; R72-Q76 WeakPolarHBondContact CA-O 3.42Å; Y73-Q76 PolarHBondContact N-O 3.06Å; Y73-Q76 PolarHBondContact O-N 3.04Å; Q74-Q76 PolarHBondContact O-N 3.33Å; Q76-Y78 HydrophobicContact CB-CE1 4.26Å; Q76-Y78 HydrophobicContact CB-CE2 4Å; Q76-Y78 PolarHBondContact OE1-OH 3.24Å
77	E	92.3	Very high	92	Very high	111 Å²	111	66.1 Å²	66.1	52%	0.519	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	137.8	173.6	-175.4	175.2	103.4	0	0	109.5	Y71 R72	Y71-E77 WeakPolarHBondContact O-CA 3.39Å; R72-E77 HydrophobicContact CG-CB 4.05Å; R72-E77 HydrophobicContact CG-CG 4.18Å; R72-E77 IonicContact CZ-OE2 3.56Å; R72-E77 IonicContact NE-OE2 2.66Å; R72-E77 PolarHBondContact NE-OE2 2.87Å; R72-E77 IonicContact NH2-OE2 3.07Å; R72-E77 PolarHBondContact NH2-OE2 3.09Å
78	Y	95.6	Very high	92.1	Very high	29 Å²	29	71 Å²	71	11%	0.114	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	143.5	-179.5	-59.6	-68.8	0	0	0	110.4	C70 Y71 Q76 P123 F124	C70-Y78 WeakPolarHBondContact CA-O 3.47Å; Y71-Y78 HydrophobicContact CD2-CD2 4.11Å; Y71-Y78 VanDerWaalsContact CE1-CB 3.43Å; Y71-Y78 HydrophobicContact CE1-CD2 4.44Å; Y71-Y78 HydrophobicContact CE1-CG 4.31Å; Y71-Y78 AromaticContact CE2-CD2 3.42Å; Y71-Y78 HydrophobicContact CE2-CD2 3.42Å; Y71-Y78 VanDerWaalsContact CE2-CD2 3.42Å; Y71-Y78 HydrophobicContact CE2-CE2 4.27Å; Y71-Y78 HydrophobicContact CE2-CG 4.08Å; Y71-Y78 AromaticContact CZ-CD2 3.61Å; Y71-Y78 AromaticContact CZ-CG 3.78Å; Y71-Y78 PolarHBondContact N-O 3.03Å; Y71-Y78 VanDerWaalsContact N-O 3.09Å; Y71-Y78 PolarHBondContact O-N 2.97Å; Q76-Y78 HydrophobicContact CB-CE1 4.26Å; Q76-Y78 HydrophobicContact CB-CE2 4Å; Q76-Y78 PolarHBondContact OE1-OH 3.24Å; Y78-P123 HydrophobicContact CD1-CG 3.97Å; Y78-P123 HydrophobicContact CE1-CG 3.44Å; Y78-P123 VanDerWaalsContact CE1-CG 3.44Å; Y78-F124 HydrophobicContact CE2-CZ 4.29Å
79	Q	97.5	Very high	92.2	Very high	105 Å²	105	66.1 Å²	66.1	49%	0.491	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	115.5	-179.9	-178	66.4	62.7	0	0	110.6	N68 G69 G121	N68-Q79 PolarHBondContact O-NE2 3.09Å; G69-Q79 PolarHBondContact O-NE2 2.93Å; G69-Q79 VanDerWaalsContact O-NE2 3.16Å; Q79-G121 WeakPolarHBondContact O-CA 3.29Å
80	L	97.4	Very high	92.3	Very high	5 Å²	5	66.2 Å²	66.2	3%	0.026	34%	0.344	C	S	.	.			trans	-85.2	154.1	173.5	-61	166	0	0	0	110.9	W62 I66 G69 Y71 I82 A90 G121	W62-L80 HydrophobicContact CH2-CD1 3.68Å; W62-L80 HydrophobicContact CH2-CD2 3.68Å; W62-L80 HydrophobicContact CH2-CG 4.23Å; W62-L80 HydrophobicContact CZ2-CD1 3.79Å; W62-L80 HydrophobicContact CZ3-CD1 4.06Å; W62-L80 HydrophobicContact CZ3-CD2 4.02Å; I66-L80 HydrophobicContact CB-CD1 4.22Å; I66-L80 HydrophobicContact CD1-CD1 3.33Å; I66-L80 HydrophobicContact CG1-CD1 4.35Å; I66-L80 HydrophobicContact CG2-CD1 4.2Å; G69-L80 WeakPolarHBondContact O-CB 3.45Å; G69-L80 PolarHBondContact O-N 2.96Å; Y71-L80 HydrophobicContact CD1-CD1 3.95Å; Y71-L80 HydrophobicContact CD1-CG 4.17Å; Y71-L80 HydrophobicContact CE1-CD1 3.87Å; Y71-L80 HydrophobicContact CE1-CD2 4.06Å; Y71-L80 HydrophobicContact CE1-CG 3.78Å; L80-I82 PolarHBondContact O-N 3.45Å; L80-A90 HydrophobicContact CB-CB 3.66Å; L80-A90 HydrophobicContact CD1-CB 3.96Å; L80-A90 HydrophobicContact CG-CB 4.47Å; L80-G121 VanDerWaalsContact CD2-O 3.24Å; L80-G121 WeakPolarHBondContact CD2-O 3.24Å
81	P	95.7	Very high	92.4	Very high	91 Å²	91	65.4 Å²	65.4	59%	0.591	34%	0.337	S	S	*	.			trans	-59.7	132.9	169	-21.1	33	0	0	0	111.5	N83 A90	P81-N83 PolarHBondContact O-N 3.44Å; P81-A90 WeakPolarHBondContact O-CB 3.21Å
82	I	96.1	Very high	92.6	Very high	53 Å²	53	65.9 Å²	65.9	27%	0.272	34%	0.34	S	S	.	.			trans	-78.2	113.9	169.7	-57.3	-51	0	0	0	108.5	L80 K88	L80-I82 PolarHBondContact O-N 3.45Å; I82-K88 VanDerWaalsContact CD1-O 3.31Å; I82-K88 WeakPolarHBondContact CD1-O 3.38Å
83	N	95.1	Very high	92.9	Very high	79 Å²	79	58.8 Å²	58.8	42%	0.422	32%	0.315	S	S	.	.			trans	-112.1	-9.3	175.1	63	-14.2	0	0	0	112.5	P81 A89 A90 I91	P81-N83 PolarHBondContact O-N 3.44Å; N83-A89 PolarHBondContact N-O 3.42Å; N83-A89 PolarHBondContact OD1-O 3.42Å; N83-A90 WeakPolarHBondContact OD1-CA 3.48Å; N83-I91 PolarHBondContact ND2-O 3.43Å; N83-I91 WeakPolarHBondContact OD1-CG2 3.47Å; N83-I91 PolarHBondContact OD1-N 3.13Å
84	E	94.1	Very high	93.5	Very high	24 Å²	24	58.9 Å²	58.9	11%	0.112	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-114.8	87.8	166.8	-164.9	-178.6	-130.7	0	0	110	R65 S86 S87 K88 A89 I91	R65-E84 IonicContact CZ-OE1 2.71Å; R65-E84 IonicContact CZ-OE2 3.93Å; R65-E84 IonicContact NE-OE1 3.65Å; R65-E84 IonicContact NE-OE2 3.06Å; R65-E84 PolarHBondContact NE-OE2 3.29Å; R65-E84 IonicContact NH2-OE1 2.66Å; R65-E84 PolarHBondContact NH2-OE1 2.98Å; R65-E84 IonicContact NH2-OE2 3.81Å; R65-E84 PolarHBondContact NH2-OE2 3.22Å; E84-S86 VanDerWaalsContact C-N 3.32Å; E84-S86 PolarHBondContact O-N 3.01Å; E84-S87 VanDerWaalsContact CD-OG 3.24Å; E84-S87 WeakPolarHBondContact CG-OG 3.49Å; E84-S87 PolarHBondContact O-N 2.95Å; E84-S87 PolarHBondContact O-OG 3.06Å; E84-S87 WeakPolarHBondContact OE2-CB 3.38Å; E84-S87 PolarHBondContact OE2-OG 3.02Å; E84-K88 WeakPolarHBondContact O-CA 3.49Å; E84-K88 PolarHBondContact O-N 3.25Å; E84-A89 PolarHBondContact N-O 3.47Å; E84-A89 VanDerWaalsContact N-O 3.13Å; E84-A89 PolarHBondContact O-N 3.37Å; E84-A89 VanDerWaalsContact O-N 3.14Å; E84-I91 HydrophobicContact CB-CB 4.27Å; E84-I91 HydrophobicContact CB-CG2 3.93Å
85	H	92.8	Very high	94.2	Very high	154 Å²	154	54.4 Å²	54.4	71%	0.713	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-30.5	-172.6	-67.6	-75.6	0	0	0	114.3	K88	H85-K88 PolarHBondContact O-N 3.47Å
86	S	90.8	Very high	94.9	Very high	104 Å²	104	51.1 Å²	51.1	73%	0.727	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-38.5	-177.7	49.9	0	0	0	0	113	E84	E84-S86 VanDerWaalsContact C-N 3.32Å; E84-S86 PolarHBondContact O-N 3.01Å
87	S	90.6	Very high	95.3	Very high	6 Å²	6	51 Å²	51	4%	0.042	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-7.2	176.3	60.4	0	0	0	0	112.8	E84 A89 H189	E84-S87 VanDerWaalsContact CD-OG 3.24Å; E84-S87 WeakPolarHBondContact CG-OG 3.49Å; E84-S87 PolarHBondContact O-N 2.95Å; E84-S87 PolarHBondContact O-OG 3.06Å; E84-S87 WeakPolarHBondContact OE2-CB 3.38Å; E84-S87 PolarHBondContact OE2-OG 3.02Å; S87-A89 PolarHBondContact O-N 2.77Å; S87-A89 VanDerWaalsContact OG-CB 3.31Å; S87-A89 WeakPolarHBondContact OG-CB 3.2Å; S87-A89 PolarHBondContact OG-N 3.19Å; S87-H189 WeakPolarHBondContact CB-O 3.29Å
88	K	93.2	Very high	95.5	Very high	116 Å²	116	53.3 Å²	53.3	50%	0.504	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.5	31.8	-169.7	-52.9	173.1	-176.1	168	0	112.3	N68 I82 E84 H85	N68-K88 CarbonylContact C-O 3.58Å; N68-K88 WeakPolarHBondContact CA-O 3.23Å; N68-K88 PolarHBondContact N-O 3.18Å; N68-K88 VanDerWaalsContact N-O 3.15Å; I82-K88 VanDerWaalsContact CD1-O 3.31Å; I82-K88 WeakPolarHBondContact CD1-O 3.38Å; E84-K88 WeakPolarHBondContact O-CA 3.49Å; E84-K88 PolarHBondContact O-N 3.25Å; H85-K88 PolarHBondContact O-N 3.47Å
89	A	95.3	Very high	95.5	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-101.2	155.1	-177.9	0	0	0	0	0	112.9	R65 I66 N83 E84 S87	R65-A89 HydrophobicContact CB-CB 3.82Å; R65-A89 HydrophobicContact CG-CB 3.73Å; I66-A89 WeakPolarHBondContact O-CA 3.47Å; N83-A89 PolarHBondContact N-O 3.42Å; N83-A89 PolarHBondContact OD1-O 3.42Å; E84-A89 PolarHBondContact N-O 3.47Å; E84-A89 VanDerWaalsContact N-O 3.13Å; E84-A89 PolarHBondContact O-N 3.37Å; E84-A89 VanDerWaalsContact O-N 3.14Å; S87-A89 PolarHBondContact O-N 2.77Å; S87-A89 VanDerWaalsContact OG-CB 3.31Å; S87-A89 WeakPolarHBondContact OG-CB 3.2Å; S87-A89 PolarHBondContact OG-N 3.19Å
90	A	96.9	Very high	95.5	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.008	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	112.1	156.9	0	0	0	0	0	107.9	W62 R65 I66 L80 P81 N83	W62-A90 HydrophobicContact CZ2-CB 4.1Å; W62-A90 PolarHBondContact NE1-O 3.19Å; W62-A90 VanDerWaalsContact NE1-O 3.09Å; R65-A90 CarbonylContact C-O 3.52Å; I66-A90 HydrophobicContact CB-CB 4.45Å; I66-A90 PolarHBondContact N-O 2.93Å; I66-A90 PolarHBondContact O-N 2.93Å; I66-A90 VanDerWaalsContact O-N 3.07Å; L80-A90 HydrophobicContact CB-CB 3.66Å; L80-A90 HydrophobicContact CD1-CB 3.96Å; L80-A90 HydrophobicContact CG-CB 4.47Å; P81-A90 WeakPolarHBondContact O-CB 3.21Å; N83-A90 WeakPolarHBondContact OD1-CA 3.48Å
91	I	96.8	Very high	95.6	Very high	12 Å²	12	55.6 Å²	55.6	6%	0.062	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	141.1	-173.1	-155.5	179.3	0	0	0	111.7	N64 R65 N83 E84 G93	N64-I91 CarbonylContact O-C 3.6Å; N64-I91 VanDerWaalsContact O-CA 3.31Å; N64-I91 WeakPolarHBondContact O-CA 3.45Å; R65-I91 HydrophobicContact CG-CB 4.43Å; R65-I91 HydrophobicContact CG-CD1 4.03Å; R65-I91 HydrophobicContact CG-CG1 3.89Å; N83-I91 PolarHBondContact ND2-O 3.43Å; N83-I91 WeakPolarHBondContact OD1-CG2 3.47Å; N83-I91 PolarHBondContact OD1-N 3.13Å; E84-I91 HydrophobicContact CB-CB 4.27Å; E84-I91 HydrophobicContact CB-CG2 3.93Å; I91-G93 PolarHBondContact O-N 2.88Å
92	H	96.7	Very high	95.7	Very high	12 Å²	12	53.8 Å²	53.8	6%	0.056	26%	0.261	C	S	.	.	S	Bend	trans	64.5	32.7	165.8	-61.1	-47.9	0	0	0	116.6	H54 L59 W62 N64 H161 E265	H54-H92 AromaticContact CE1-CD2 3.53Å; H54-H92 AromaticContact CG-CD2 3.76Å; H54-H92 AromaticContact ND1-CD2 3.41Å; H54-H92 PolarHBondContact ND1-CD2 3.18Å; H54-H92 AromaticContact NE2-CD2 3.94Å; L59-H92 WeakPolarHBondContact CD1-ND1 3.35Å; L59-H92 HydrophobicContact CD2-CB 3.78Å; W62-H92 CarbonylContact O-C 3.57Å; N64-H92 PolarHBondContact O-N 3Å; H92-H161 AromaticContact CE1-CD2 3.69Å; H92-H161 AromaticContact NE2-CD2 3.83Å; H92-H161 AromaticContact NE2-NE2 3.89Å; H92-E265 IonicContact CE1-OE2 3.93Å
93	G	96.6	Very high	95.7	Very high	9 Å²	9	54.1 Å²	54.1	9%	0.093	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.4	-158.7	168.8	0	0	0	0	0	115	I60 W62 I91	I60-G93 CarbonylContact O-C 3.5Å; I60-G93 WeakPolarHBondContact O-CA 3.29Å; W62-G93 VanDerWaalsContact CE2-CA 3.5Å; W62-G93 PolarHBondContact O-N 3.04Å; W62-G93 VanDerWaalsContact O-N 3.12Å; I91-G93 PolarHBondContact O-N 2.88Å
94	L	97.4	Very high	95.8	Very high	44 Å²	44	56.5 Å²	56.5	23%	0.23	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.5	-11	-172.3	-60.2	177.4	0	0	0	113.6	I60 W62 R98 L116 Y122	I60-L94 PolarHBondContact O-N 2.81Å; W62-L94 HydrophobicContact CH2-CD1 4.17Å; W62-L94 HydrophobicContact CH2-CD2 3.74Å; W62-L94 HydrophobicContact CH2-CG 3.59Å; W62-L94 HydrophobicContact CZ3-CD1 4.14Å; W62-L94 HydrophobicContact CZ3-CD2 4.5Å; W62-L94 HydrophobicContact CZ3-CG 3.88Å; L94-R98 WeakPolarHBondContact O-CG 3.08Å; L94-L116 HydrophobicContact CB-CD1 3.73Å; L94-L116 HydrophobicContact CB-CD2 4.46Å; L94-L116 HydrophobicContact CD1-CD1 4.05Å; L94-L116 HydrophobicContact CD1-CD2 4.29Å; L94-Y122 HydrophobicContact CD1-CD1 4.28Å; L94-Y122 HydrophobicContact CD1-CG 4.18Å
95	L	97.5	Very high	96	Very high	2 Å²	2	60 Å²	60	1%	0.01	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-9.9	-177	-64.4	-172	0	0	0	115.3	G28 I60 W97 R98 W100 A114 L116	G28-L95 WeakPolarHBondContact CA-O 3.23Å; I60-L95 HydrophobicContact CB-CB 4.28Å; I60-L95 HydrophobicContact CB-CD1 3.97Å; I60-L95 HydrophobicContact CB-CG 4.3Å; I60-L95 HydrophobicContact CD1-CD1 4.37Å; I60-L95 HydrophobicContact CG2-CD1 3.69Å; I60-L95 HydrophobicContact CG2-CG 4.24Å; I60-L95 PolarHBondContact O-N 3.03Å; I60-L95 VanDerWaalsContact O-N 3.11Å; L95-W97 PolarHBondContact O-N 3.37Å; L95-W97 VanDerWaalsContact O-N 3.08Å; L95-R98 HydrophobicContact CD2-CB 4.23Å; L95-R98 HydrophobicContact CD2-CG 3.92Å; L95-R98 PolarHBondContact O-N 2.83Å; L95-R98 VanDerWaalsContact O-N 3.14Å; L95-W100 HydrophobicContact CB-CZ2 3.82Å; L95-W100 HydrophobicContact CD1-CH2 3.95Å; L95-W100 HydrophobicContact CD1-CZ2 3.55Å; L95-W100 HydrophobicContact CG-CZ2 4.3Å; L95-W100 PolarHBondContact O-NE1 2.86Å; L95-A114 HydrophobicContact CD1-CB 4.21Å; L95-A114 HydrophobicContact CD2-CB 4.46Å; L95-L116 HydrophobicContact CD1-CB 4.47Å; L95-L116 HydrophobicContact CD2-CB 4.08Å; L95-L116 HydrophobicContact CD2-CD1 3.9Å; L95-L116 HydrophobicContact CD2-CG 4.5Å; L95-L116 HydrophobicContact CG-CB 4.49Å; L95-L116 HydrophobicContact CG-CD1 4.47Å
96	A	96.8	Very high	96.2	Very high	2 Å²	2	56.4 Å²	56.4	2%	0.017	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-21.3	-176.9	0	0	0	0	0	114.5	G28 K57 V58	G28-A96 VanDerWaalsContact CA-O 3.23Å; G28-A96 WeakPolarHBondContact CA-O 3.09Å; K57-A96 HydrophobicContact CB-CB 4.13Å; K57-A96 WeakPolarHBondContact CD-O 3.36Å; V58-A96 WeakPolarHBondContact O-CA 3.42Å
97	W	95.6	Very high	96.5	Very high	111 Å²	111	55.2 Å²	55.2	42%	0.42	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.8	18.6	-179.6	-55.9	106	0	0	0	112.8	M50 P51 H54 L95	M50-W97 HydrophobicContact CG-CZ3 4.21Å; P51-W97 HydrophobicContact CG-CH2 4.35Å; P51-W97 HydrophobicContact CG-CZ3 4.16Å; H54-W97 AromaticContact CD2-CE2 3.72Å; H54-W97 AromaticContact CD2-CZ2 3.55Å; H54-W97 AromaticContact CD2-NE1 3.48Å; H54-W97 PolarHBondContact CD2-NE1 3.49Å; H54-W97 AromaticContact NE2-CE2 3.7Å; H54-W97 AromaticContact NE2-CZ2 3.69Å; H54-W97 AromaticContact NE2-NE1 3.13Å; H54-W97 PolarHBondContact NE2-NE1 2.81Å; H54-W97 VanDerWaalsContact NE2-NE1 3.13Å; L95-W97 PolarHBondContact O-N 3.37Å; L95-W97 VanDerWaalsContact O-N 3.08Å
98	R	96.5	Very high	96.9	Very high	160 Å²	160	57.8 Å²	57.8	60%	0.604	30%	0.297	S	S	*	.	S	Bend	trans	-96.3	147.9	175.5	-65.5	-61.9	-176.9	177.5	-0.6	110.3	V27 G28 L94 L95 W100	V27-R98 CarbonylContact C-O 3.52Å; V27-R98 VanDerWaalsContact CA-O 3.3Å; V27-R98 WeakPolarHBondContact CA-O 3.37Å; G28-R98 PolarHBondContact N-O 3.3Å; L94-R98 WeakPolarHBondContact O-CG 3.08Å; L95-R98 HydrophobicContact CD2-CB 4.23Å; L95-R98 HydrophobicContact CD2-CG 3.92Å; L95-R98 PolarHBondContact O-N 2.83Å; L95-R98 VanDerWaalsContact O-N 3.14Å; R98-W100 VanDerWaalsContact O-CD1 3.23Å; R98-W100 PolarHBondContact O-N 2.9Å
99	D	96.5	Very high	97.1	Very high	74 Å²	74	53.4 Å²	53.4	40%	0.396	28%	0.281	S	S	.	.	B	Isolated β-bridge	trans	-82.4	111.5	174	-171.8	31.4	0	0	0	110.2	T26 V27 Q101	T26-D99 WeakPolarHBondContact CB-OD1 3.25Å; T26-D99 PolarHBondContact OG1-OD1 2.97Å; V27-D99 HydrophobicContact CG2-CB 4.28Å; D99-Q101 PolarHBondContact O-NE2 2.99Å
100	W	97.8	Very high	97.3	Very high	2 Å²	2	53.4 Å²	53.4	1%	0.008	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-81.7	152.7	178.5	-67.4	60.2	0	0	0	110.6	T26 A29 V58 I60 L95 R98 L112 T113 A114 V130	T26-W100 VanDerWaalsContact CB-O 3.32Å; T26-W100 WeakPolarHBondContact CB-O 3.45Å; T26-W100 WeakPolarHBondContact O-CB 3.05Å; T26-W100 PolarHBondContact O-N 3.06Å; A29-W100 HydrophobicContact CB-CD2 3.81Å; A29-W100 HydrophobicContact CB-CE3 4.21Å; A29-W100 HydrophobicContact CB-CG 3.96Å; V58-W100 HydrophobicContact CG1-CZ2 4.49Å; I60-W100 HydrophobicContact CD1-CH2 3.84Å; I60-W100 HydrophobicContact CD1-CZ2 4.2Å; L95-W100 HydrophobicContact CB-CZ2 3.82Å; L95-W100 HydrophobicContact CD1-CH2 3.95Å; L95-W100 HydrophobicContact CD1-CZ2 3.55Å; L95-W100 HydrophobicContact CG-CZ2 4.3Å; L95-W100 PolarHBondContact O-NE1 2.86Å; R98-W100 VanDerWaalsContact O-CD1 3.23Å; R98-W100 PolarHBondContact O-N 2.9Å; W100-L112 HydrophobicContact CB-CB 4Å; W100-L112 HydrophobicContact CB-CD2 4.02Å; W100-L112 HydrophobicContact CE3-CB 4.1Å; W100-T113 VanDerWaalsContact CE3-C 3.45Å; W100-A114 HydrophobicContact CD2-CB 3.39Å; W100-A114 HydrophobicContact CE3-CB 3.49Å; W100-A114 VanDerWaalsContact CE3-CB 3.49Å; W100-A114 HydrophobicContact CG-CB 3.9Å; W100-A114 HydrophobicContact CH2-CB 4.09Å; W100-A114 HydrophobicContact CZ2-CB 4.02Å; W100-A114 HydrophobicContact CZ3-CB 3.83Å; W100-V130 HydrophobicContact CE3-CG2 4.35Å; W100-V130 HydrophobicContact CH2-CG2 3.72Å; W100-V130 HydrophobicContact CZ2-CG2 4.44Å; W100-V130 HydrophobicContact CZ3-CB 4.47Å; W100-V130 HydrophobicContact CZ3-CG2 3.67Å
101	Q	98	Very high	97.3	Very high	112 Å²	112	53.7 Å²	53.7	52%	0.523	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	129.6	-179.9	-57.5	-55.7	-64.6	0	0	110.4	D99 S103 L112 T113	D99-Q101 PolarHBondContact O-NE2 2.99Å; Q101-S103 PolarHBondContact O-N 3.5Å; Q101-L112 CarbonylContact O-C 3.52Å; Q101-L112 WeakPolarHBondContact O-CA 3.47Å; Q101-T113 PolarHBondContact N-O 2.84Å; Q101-T113 PolarHBondContact O-N 2.84Å; Q101-T113 PolarHBondContact O-OG1 2.84Å
102	I	98	Very high	97.4	Very high	52 Å²	52	53.2 Å²	53.2	27%	0.267	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	117.2	172.5	-60.3	168.7	0	0	0	108.2	V13 T26 L105 V110 T111	V13-I102 HydrophobicContact CG2-CD1 3.47Å; V13-I102 VanDerWaalsContact CG2-CD1 3.47Å; V13-I102 HydrophobicContact CG2-CG1 4.44Å; T26-I102 HydrophobicContact CG2-CD1 3.96Å; T26-I102 HydrophobicContact CG2-CG1 3.85Å; I102-L105 HydrophobicContact CG2-CB 4.13Å; I102-V110 HydrophobicContact CG1-CG2 4.35Å; I102-V110 HydrophobicContact CG2-CG2 3.98Å; I102-T111 WeakPolarHBondContact CA-O 3.36Å
103	S	97	Very high	97.5	Very high	61 Å²	61	54.7 Å²	54.7	43%	0.427	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	-30	175.6	62.9	0	0	0	0	112.4	Q101 T111	Q101-S103 PolarHBondContact O-N 3.5Å; S103-T111 PolarHBondContact N-O 2.94Å; S103-T111 VanDerWaalsContact OG-CG2 3.24Å; S103-T111 WeakPolarHBondContact OG-CG2 3.4Å; S103-T111 PolarHBondContact OG-O 3.01Å
104	E	97.3	Very high	97.6	Very high	129 Å²	129	55 Å²	55	60%	0.603	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.7	144.3	178	-57	-178.9	178.6	0	0	110.4	V110 T111	E104-V110 WeakPolarHBondContact O-CA 3.45Å; E104-T111 PolarHBondContact N-O 2.73Å; E104-T111 PolarHBondContact O-N 2.69Å
105	L	98.2	Very high	97.6	Very high	98 Å²	98	58.4 Å²	58.4	51%	0.513	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	130.9	179.8	177.3	61.3	0	0	0	110.7	V13 L15 I102 V110	V13-L105 HydrophobicContact CG1-CD1 3.38Å; V13-L105 HydrophobicContact CG2-CD1 4.47Å; L15-L105 HydrophobicContact CD2-CD1 4.31Å; I102-L105 HydrophobicContact CG2-CB 4.13Å; L105-V110 HydrophobicContact CD1-CB 3.94Å; L105-V110 HydrophobicContact CD1-CG2 4.07Å
106	T	97.7	Very high	97.6	Very high	78 Å²	78	58.7 Å²	58.7	48%	0.479	31%	0.306	S	S	.	.			trans	-129.1	-178.7	169.7	77.6	0	0	0	0	109.8	T108 S109	T106-T108 PolarHBondContact O-N 2.9Å; T106-T108 PolarHBondContact OG1-N 3.18Å; T106-S109 PolarHBondContact N-O 2.66Å; T106-S109 PolarHBondContact OG1-N 2.91Å
107	A	96.9	Very high	97.5	Very high	78 Å²	78	61.8 Å²	61.8	65%	0.645	33%	0.326	S	S	*	.	S	Bend	trans	-65.4	-21.6	174.8	0	0	0	0	0	113.5	L15 A16	L15-A107 WeakPolarHBondContact CA-O 3.41Å; A16-A107 PolarHBondContact N-O 3Å
108	T	98.2	Very high	97.5	Very high	61 Å²	61	59.8 Å²	59.8	37%	0.374	33%	0.328	S	S	.	.	S	Bend	trans	-124.9	-2.3	-172.5	58	0	0	0	0	113.4	A16 A17 T106 L134	A16-T108 WeakPolarHBondContact O-CG2 3.44Å; A17-T108 HydrophobicContact CB-CG2 4.09Å; T106-T108 PolarHBondContact O-N 2.9Å; T106-T108 PolarHBondContact OG1-N 3.18Å; T108-L134 PolarHBondContact O-N 2.77Å
109	S	98.4	Very high	97.5	Very high	24 Å²	24	54.7 Å²	54.7	17%	0.168	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	148.4	-177.3	-160.9	0	0	0	0	112.2	T106 Y132 S133	T106-S109 PolarHBondContact N-O 2.66Å; T106-S109 PolarHBondContact OG1-N 2.91Å; S109-Y132 CarbonylContact C-O 3.52Å; S109-Y132 WeakPolarHBondContact CA-O 3.32Å; S109-Y132 PolarHBondContact OG-O 3.22Å; S109-S133 PolarHBondContact OG-OG 2.84Å
110	V	98.5	Very high	97.4	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	138.1	169.3	62.6	0	0	0	0	110.5	V13 L15 I24 I102 E104 L105 L112 Y132	V13-V110 HydrophobicContact CG1-CB 4.06Å; V13-V110 HydrophobicContact CG1-CG1 4.24Å; V13-V110 HydrophobicContact CG1-CG2 4.25Å; V13-V110 HydrophobicContact CG2-CG2 4.28Å; L15-V110 HydrophobicContact CD1-CG1 4.26Å; L15-V110 HydrophobicContact CD2-CB 4.49Å; I24-V110 HydrophobicContact CB-CG1 4.17Å; I24-V110 HydrophobicContact CG1-CG1 3.96Å; I24-V110 HydrophobicContact CG2-CG1 4.18Å; I102-V110 HydrophobicContact CG1-CG2 4.35Å; I102-V110 HydrophobicContact CG2-CG2 3.98Å; E104-V110 WeakPolarHBondContact O-CA 3.45Å; L105-V110 HydrophobicContact CD1-CB 3.94Å; L105-V110 HydrophobicContact CD1-CG2 4.07Å; V110-L112 HydrophobicContact CG1-CD1 3.93Å; V110-L112 HydrophobicContact CG2-CD1 4.13Å; V110-L112 HydrophobicContact CG2-CG 4.34Å; V110-Y132 HydrophobicContact CG1-CD2 4.29Å; V110-Y132 PolarHBondContact N-O 3.24Å; V110-Y132 PolarHBondContact O-N 2.87Å
111	T	98.2	Very high	97.3	Very high	7 Å²	7	62.7 Å²	62.7	4%	0.043	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	121.9	173.4	-56.5	0	0	0	0	108.9	I102 S103 E104 Q129 V130 V131	I102-T111 WeakPolarHBondContact CA-O 3.36Å; S103-T111 PolarHBondContact N-O 2.94Å; S103-T111 VanDerWaalsContact OG-CG2 3.24Å; S103-T111 WeakPolarHBondContact OG-CG2 3.4Å; S103-T111 PolarHBondContact OG-O 3.01Å; E104-T111 PolarHBondContact N-O 2.73Å; E104-T111 PolarHBondContact O-N 2.69Å; T111-Q129 HydrophobicContact CG2-CG 3.58Å; T111-Q129 VanDerWaalsContact CG2-NE2 3.34Å; T111-V130 WeakPolarHBondContact CA-O 3.48Å; T111-V131 HydrophobicContact CG2-CG2 4.01Å
112	L	98.6	Very high	97.2	Very high	1 Å²	1	57.4 Å²	57.4	1%	0.005	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	141.2	176	-60	102.8	0	0	0	110.1	I24 T26 A29 W100 Q101 V110 Q129 V130 Y132	I24-L112 HydrophobicContact CG2-CD1 3.94Å; T26-L112 HydrophobicContact CG2-CD2 3.93Å; A29-L112 HydrophobicContact CB-CB 4.35Å; A29-L112 HydrophobicContact CB-CD1 4.48Å; A29-L112 HydrophobicContact CB-CD2 4.34Å; W100-L112 HydrophobicContact CB-CB 4Å; W100-L112 HydrophobicContact CB-CD2 4.02Å; W100-L112 HydrophobicContact CE3-CB 4.1Å; Q101-L112 CarbonylContact O-C 3.52Å; Q101-L112 WeakPolarHBondContact O-CA 3.47Å; V110-L112 HydrophobicContact CG1-CD1 3.93Å; V110-L112 HydrophobicContact CG2-CD1 4.13Å; V110-L112 HydrophobicContact CG2-CG 4.34Å; L112-Q129 CarbonylContact O-C 3.54Å; L112-Q129 VanDerWaalsContact O-CA 3.27Å; L112-Q129 WeakPolarHBondContact O-CA 3.45Å; L112-V130 PolarHBondContact N-O 2.6Å; L112-V130 PolarHBondContact O-N 3.26Å; L112-Y132 HydrophobicContact CD1-CD2 3.82Å; L112-Y132 HydrophobicContact CD1-CE2 4.1Å
113	T	98.4	Very high	97.1	Very high	44 Å²	44	57.3 Å²	57.3	27%	0.27	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	145.1	179.5	57.8	0	0	0	0	111.4	W100 Q101 S128 Q129	W100-T113 VanDerWaalsContact CE3-C 3.45Å; Q101-T113 PolarHBondContact N-O 2.84Å; Q101-T113 PolarHBondContact O-N 2.84Å; Q101-T113 PolarHBondContact O-OG1 2.84Å; T113-S128 CarbonylContact C-O 3.57Å; T113-S128 VanDerWaalsContact CA-O 3.29Å; T113-S128 WeakPolarHBondContact CA-O 3.5Å; T113-Q129 HydrophobicContact CG2-CB 4.34Å; T113-Q129 HydrophobicContact CG2-CG 4.2Å
114	A	98.4	Very high	97	Very high	15 Å²	15	54.7 Å²	54.7	12%	0.124	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	142.2	174.1	0	0	0	0	0	111.1	L95 W100 S128	L95-A114 HydrophobicContact CD1-CB 4.21Å; L95-A114 HydrophobicContact CD2-CB 4.46Å; W100-A114 HydrophobicContact CD2-CB 3.39Å; W100-A114 HydrophobicContact CE3-CB 3.49Å; W100-A114 VanDerWaalsContact CE3-CB 3.49Å; W100-A114 HydrophobicContact CG-CB 3.9Å; W100-A114 HydrophobicContact CH2-CB 4.09Å; W100-A114 HydrophobicContact CZ2-CB 4.02Å; W100-A114 HydrophobicContact CZ3-CB 3.83Å; A114-S128 PolarHBondContact N-O 2.9Å; A114-S128 PolarHBondContact O-N 2.82Å
115	F	97.3	Very high	96.9	Very high	115 Å²	115	51.5 Å²	51.5	50%	0.504	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	122.6	167.1	171.8	-124.5	0	0	0	109	P117 M125 I149	F115-P117 HydrophobicContact CD1-CB 4.36Å; F115-P117 HydrophobicContact CE1-CB 3.69Å; F115-P117 HydrophobicContact CZ-CB 4.01Å; F115-P117 VanDerWaalsContact O-CD 3.22Å; F115-P117 WeakPolarHBondContact O-CD 3.14Å; F115-M125 HydrophobicContact CE2-CB 4.18Å; F115-M125 HydrophobicContact CZ-SD 4.45Å; F115-I149 HydrophobicContact CD2-CD1 3.96Å; F115-I149 HydrophobicContact CE2-CD1 3.77Å
116	L	96.7	Very high	96.7	Very high	8 Å²	8	47 Å²	47	4%	0.042	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	103.7	167.9	-178.9	61.3	0	0	0	108.7	P61 L94 L95 Y122 M125 L126	P61-L116 HydrophobicContact CB-CD2 4.42Å; P61-L116 HydrophobicContact CG-CD2 3.88Å; L94-L116 HydrophobicContact CB-CD1 3.73Å; L94-L116 HydrophobicContact CB-CD2 4.46Å; L94-L116 HydrophobicContact CD1-CD1 4.05Å; L94-L116 HydrophobicContact CD1-CD2 4.29Å; L95-L116 HydrophobicContact CD1-CB 4.47Å; L95-L116 HydrophobicContact CD2-CB 4.08Å; L95-L116 HydrophobicContact CD2-CD1 3.9Å; L95-L116 HydrophobicContact CD2-CG 4.5Å; L95-L116 HydrophobicContact CG-CB 4.49Å; L95-L116 HydrophobicContact CG-CD1 4.47Å; L116-Y122 HydrophobicContact CD2-CD1 3.99Å; L116-Y122 HydrophobicContact CD2-CE1 3.78Å; L116-M125 WeakPolarHBondContact O-CA 3.48Å; L116-L126 HydrophobicContact CB-CB 4.11Å; L116-L126 HydrophobicContact CD2-CD1 4Å; L116-L126 HydrophobicContact CD2-CG 4.33Å; L116-L126 PolarHBondContact N-O 3.3Å; L116-L126 PolarHBondContact O-N 3.21Å; L116-L126 VanDerWaalsContact O-N 3.16Å
117	P	96.3	Very high	96.6	Very high	68 Å²	68	45 Å²	45	44%	0.442	26%	0.257	S	S	.	.			trans	-71.1	160	173.8	30.5	-35.8	0	0	0	111.3	F115	F115-P117 HydrophobicContact CD1-CB 4.36Å; F115-P117 HydrophobicContact CE1-CB 3.69Å; F115-P117 HydrophobicContact CZ-CB 4.01Å; F115-P117 VanDerWaalsContact O-CD 3.22Å; F115-P117 WeakPolarHBondContact O-CD 3.14Å
118	P	95.4	Very high	96.6	Very high	69 Å²	69	41.5 Å²	41.5	45%	0.448	23%	0.227	S	C	.	.			trans	-68	147.5	176.9	30.1	-29.7	0	0	0	110.6	F124 M125	P118-F124 WeakPolarHBondContact CA-O 3.32Å; P118-M125 HydrophobicContact CB-CG 4.35Å; P118-M125 HydrophobicContact CG-CG 4.1Å; P118-M125 HydrophobicContact CG-SD 4.4Å
119	S	95.2	Very high	96.6	Very high	52 Å²	52	41.9 Å²	41.9	36%	0.364	23%	0.225	S	C	.	.	B	Isolated β-bridge	trans	-134.2	167.6	174.2	69.5	0	0	0	0	110.6	G121 Y122 P123	S119-G121 PolarHBondContact O-N 2.99Å; S119-Y122 PolarHBondContact N-O 2.77Å; S119-Y122 CarbonylContact O-C 3.51Å; S119-Y122 PolarHBondContact O-N 3.23Å; S119-Y122 VanDerWaalsContact O-N 3.12Å; S119-Y122 PolarHBondContact OG-N 2.99Å; S119-P123 WeakPolarHBondContact O-CA 3.4Å; S119-P123 VanDerWaalsContact O-N 3.15Å
120	Y	94.4	Very high	96.5	Very high	241 Å²	241	40.8 Å²	40.8	95%	0.945	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-35.2	179.8	-64.8	-62.3	0	0	0	113.6
121	G	96	Very high	96.5	Very high	4 Å²	4	41.9 Å²	41.9	4%	0.041	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-16.2	179.1	0	0	0	0	0	114.8	Y71 Q79 L80 S119	Y71-G121 VanDerWaalsContact CE1-O 3.25Å; Y71-G121 WeakPolarHBondContact CE1-O 3.43Å; Y71-G121 PolarHBondContact OH-O 3.01Å; Q79-G121 WeakPolarHBondContact O-CA 3.29Å; L80-G121 VanDerWaalsContact CD2-O 3.24Å; L80-G121 WeakPolarHBondContact CD2-O 3.24Å; S119-G121 PolarHBondContact O-N 2.99Å
122	Y	96.7	Very high	96.5	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-146.9	81.8	179.5	-169.8	-95.4	0	0	0	108.3	P61 W62 L94 L116 S119 F124 L126 P155 F274	P61-Y122 HydrophobicContact CB-CE1 4.3Å; P61-Y122 HydrophobicContact CB-CE2 4.24Å; P61-Y122 HydrophobicContact CG-CD1 4.21Å; P61-Y122 HydrophobicContact CG-CD2 4.12Å; P61-Y122 HydrophobicContact CG-CE1 3.73Å; P61-Y122 HydrophobicContact CG-CE2 3.64Å; P61-Y122 HydrophobicContact CG-CG 4.39Å; P61-Y122 VanDerWaalsContact CG-CZ 3.44Å; W62-Y122 HydrophobicContact CZ3-CD2 4.39Å; L94-Y122 HydrophobicContact CD1-CD1 4.28Å; L94-Y122 HydrophobicContact CD1-CG 4.18Å; L116-Y122 HydrophobicContact CD2-CD1 3.99Å; L116-Y122 HydrophobicContact CD2-CE1 3.78Å; S119-Y122 PolarHBondContact N-O 2.77Å; S119-Y122 CarbonylContact O-C 3.51Å; S119-Y122 PolarHBondContact O-N 3.23Å; S119-Y122 VanDerWaalsContact O-N 3.12Å; S119-Y122 PolarHBondContact OG-N 2.99Å; Y122-F124 HydrophobicContact CD1-CB 4.1Å; Y122-F124 HydrophobicContact CD1-CD2 4.1Å; Y122-F124 AromaticContact CD2-CD2 3.86Å; Y122-F124 HydrophobicContact CD2-CD2 3.86Å; Y122-F124 HydrophobicContact CD2-CE2 4.41Å; Y122-F124 HydrophobicContact CE1-CB 3.61Å; Y122-F124 HydrophobicContact CE1-CD2 4Å; Y122-F124 HydrophobicContact CE1-CG 4.29Å; Y122-F124 AromaticContact CE2-CD2 3.74Å; Y122-F124 HydrophobicContact CE2-CD2 3.74Å; Y122-F124 HydrophobicContact CE2-CE2 4.41Å; Y122-F124 HydrophobicContact CG-CD2 4.03Å; Y122-F124 AromaticContact CZ-CD2 3.8Å; Y122-F124 PolarHBondContact O-N 2.91Å; Y122-L126 HydrophobicContact CE1-CD1 4.31Å; Y122-L126 HydrophobicContact CE1-CG 4.42Å; Y122-P155 HydrophobicContact CE2-CG 4.28Å; Y122-P155 WeakPolarHBondContact CE2-O 3.42Å; Y122-P155 PolarHBondContact OH-O 2.85Å; Y122-F274 HydrophobicContact CD2-CE2 4.47Å; Y122-F274 HydrophobicContact CE2-CE2 4.12Å; Y122-F274 HydrophobicContact CE2-CZ 4.33Å
123	P	96.1	Very high	96.5	Very high	51 Å²	51	43.3 Å²	43.3	33%	0.331	24%	0.235	S	C	.	.			trans	-82.1	39	-172.5	35.4	-38.3	0	0	0	112.6	Y78 S119	Y78-P123 HydrophobicContact CD1-CG 3.97Å; Y78-P123 HydrophobicContact CE1-CG 3.44Å; Y78-P123 VanDerWaalsContact CE1-CG 3.44Å; S119-P123 WeakPolarHBondContact O-CA 3.4Å; S119-P123 VanDerWaalsContact O-N 3.15Å
124	F	94.8	Very high	96.5	Very high	6 Å²	6	41.6 Å²	41.6	3%	0.026	22%	0.224	C	C	.	.			trans	-119.6	160.4	-179.7	-49.5	-82.6	0	0	0	110.8	Y73 Y78 P118 Y122 V152 A153 A154 P155	Y73-F124 HydrophobicContact CD1-CE1 4.2Å; Y73-F124 AromaticContact CD1-CZ 3.65Å; Y73-F124 HydrophobicContact CD1-CZ 3.65Å; Y73-F124 AromaticContact CE1-CE1 4Å; Y73-F124 HydrophobicContact CE1-CE1 4Å; Y73-F124 AromaticContact CE1-CZ 3.9Å; Y73-F124 HydrophobicContact CE1-CZ 3.9Å; Y78-F124 HydrophobicContact CE2-CZ 4.29Å; P118-F124 WeakPolarHBondContact CA-O 3.32Å; Y122-F124 HydrophobicContact CD1-CB 4.1Å; Y122-F124 HydrophobicContact CD1-CD2 4.1Å; Y122-F124 AromaticContact CD2-CD2 3.86Å; Y122-F124 HydrophobicContact CD2-CD2 3.86Å; Y122-F124 HydrophobicContact CD2-CE2 4.41Å; Y122-F124 HydrophobicContact CE1-CB 3.61Å; Y122-F124 HydrophobicContact CE1-CD2 4Å; Y122-F124 HydrophobicContact CE1-CG 4.29Å; Y122-F124 AromaticContact CE2-CD2 3.74Å; Y122-F124 HydrophobicContact CE2-CD2 3.74Å; Y122-F124 HydrophobicContact CE2-CE2 4.41Å; Y122-F124 HydrophobicContact CG-CD2 4.03Å; Y122-F124 AromaticContact CZ-CD2 3.8Å; Y122-F124 PolarHBondContact O-N 2.91Å; F124-V152 HydrophobicContact CD1-CG2 3.92Å; F124-V152 HydrophobicContact CE1-CG2 3.95Å; F124-A153 WeakPolarHBondContact CE1-O 3.46Å; F124-A154 HydrophobicContact CB-CB 3.53Å; F124-A154 HydrophobicContact CD1-CB 3.52Å; F124-A154 HydrophobicContact CD2-CB 4.22Å; F124-A154 HydrophobicContact CE1-CB 4.3Å; F124-A154 HydrophobicContact CG-CB 3.48Å; F124-A154 VanDerWaalsContact CG-CB 3.48Å; F124-P155 VanDerWaalsContact CE2-CD 3.46Å; F124-P155 HydrophobicContact CE2-CG 4.02Å; F124-P155 HydrophobicContact CZ-CG 4.44Å
125	M	94.1	Very high	96.5	Very high	61 Å²	61	44.3 Å²	44.3	30%	0.3	24%	0.236	S	C	.	.			trans	-120.7	119.8	-174.1	-59.6	-165	-63.7	0	0	110.3	F115 L116 P118 N148 I149	F115-M125 HydrophobicContact CE2-CB 4.18Å; F115-M125 HydrophobicContact CZ-SD 4.45Å; L116-M125 WeakPolarHBondContact O-CA 3.48Å; P118-M125 HydrophobicContact CB-CG 4.35Å; P118-M125 HydrophobicContact CG-CG 4.1Å; P118-M125 HydrophobicContact CG-SD 4.4Å; M125-N148 WeakPolarHBondContact O-CA 3.36Å; M125-N148 PolarHBondContact O-OD1 2.87Å; M125-I149 HydrophobicContact CB-CG1 3.9Å; M125-I149 PolarHBondContact O-N 2.97Å
126	L	94.6	Very high	96.6	Very high	3 Å²	3	40.7 Å²	40.7	2%	0.016	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	131.1	178.9	-53.5	179.8	0	0	0	111.2	I60 P61 L116 Y122 Q147 N148 A154 Y156	I60-L126 HydrophobicContact CG2-CD1 4.17Å; P61-L126 HydrophobicContact CB-CD1 3.58Å; P61-L126 HydrophobicContact CG-CD1 4.41Å; L116-L126 HydrophobicContact CB-CB 4.11Å; L116-L126 HydrophobicContact CD2-CD1 4Å; L116-L126 HydrophobicContact CD2-CG 4.33Å; L116-L126 PolarHBondContact N-O 3.3Å; L116-L126 PolarHBondContact O-N 3.21Å; L116-L126 VanDerWaalsContact O-N 3.16Å; Y122-L126 HydrophobicContact CE1-CD1 4.31Å; Y122-L126 HydrophobicContact CE1-CG 4.42Å; L126-Q147 WeakPolarHBondContact CA-O 3.25Å; L126-N148 HydrophobicContact CD2-CB 4.01Å; L126-A154 HydrophobicContact CD2-CB 4.46Å; L126-Y156 HydrophobicContact CD1-CD2 3.7Å; L126-Y156 HydrophobicContact CD1-CE2 3.89Å
127	A	95.8	Very high	96.6	Very high	37 Å²	37	48.3 Å²	48.3	31%	0.306	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	114.6	160.1	0	0	0	0	0	107.7	S146 Q147 I149	A127-S146 CarbonylContact O-C 3.47Å; A127-S146 WeakPolarHBondContact O-CA 3.43Å; A127-Q147 PolarHBondContact N-O 2.88Å; A127-Q147 PolarHBondContact O-N 2.85Å; A127-I149 HydrophobicContact CB-CD1 4.21Å; A127-I149 HydrophobicContact CB-CG2 4Å
128	S	96.3	Very high	96.5	Very high	4 Å²	4	50.5 Å²	50.5	3%	0.028	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	145.7	-175.6	-50.6	0	0	0	0	110.9	T113 A114 A145 S146	T113-S128 CarbonylContact C-O 3.57Å; T113-S128 VanDerWaalsContact CA-O 3.29Å; T113-S128 WeakPolarHBondContact CA-O 3.5Å; A114-S128 PolarHBondContact N-O 2.9Å; A114-S128 PolarHBondContact O-N 2.82Å; S128-A145 CarbonylContact C-O 3.56Å; S128-A145 WeakPolarHBondContact CA-O 3.39Å; S128-S146 PolarHBondContact OG-OG 2.97Å
129	Q	97.6	Very high	96.6	Very high	70 Å²	70	47.4 Å²	47.4	33%	0.327	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	141.2	176.8	-178.8	177.3	82.8	0	0	109.9	T111 L112 T113 V131 I144 A145	T111-Q129 HydrophobicContact CG2-CG 3.58Å; T111-Q129 VanDerWaalsContact CG2-NE2 3.34Å; L112-Q129 CarbonylContact O-C 3.54Å; L112-Q129 VanDerWaalsContact O-CA 3.27Å; L112-Q129 WeakPolarHBondContact O-CA 3.45Å; T113-Q129 HydrophobicContact CG2-CB 4.34Å; T113-Q129 HydrophobicContact CG2-CG 4.2Å; Q129-V131 HydrophobicContact CG-CG2 4.22Å; Q129-I144 WeakPolarHBondContact O-CA 3.34Å; Q129-A145 PolarHBondContact N-O 3.1Å; Q129-A145 PolarHBondContact O-N 2.83Å
130	V	97.9	Very high	96.7	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	126.4	170.6	-176.9	0	0	0	0	108.2	A29 V58 W100 T111 L112 Y132 V142 E143 I144	A29-V130 HydrophobicContact CB-CB 4.18Å; A29-V130 HydrophobicContact CB-CG1 4.5Å; A29-V130 HydrophobicContact CB-CG2 4.02Å; V58-V130 HydrophobicContact CB-CG2 4.43Å; V58-V130 HydrophobicContact CG1-CG2 4.05Å; V58-V130 HydrophobicContact CG2-CG1 4.29Å; V58-V130 HydrophobicContact CG2-CG2 3.99Å; W100-V130 HydrophobicContact CE3-CG2 4.35Å; W100-V130 HydrophobicContact CH2-CG2 3.72Å; W100-V130 HydrophobicContact CZ2-CG2 4.44Å; W100-V130 HydrophobicContact CZ3-CB 4.47Å; W100-V130 HydrophobicContact CZ3-CG2 3.67Å; T111-V130 WeakPolarHBondContact CA-O 3.48Å; L112-V130 PolarHBondContact N-O 2.6Å; L112-V130 PolarHBondContact O-N 3.26Å; V130-Y132 HydrophobicContact CB-CE2 4.42Å; V130-Y132 HydrophobicContact CG1-CD2 3.89Å; V130-Y132 HydrophobicContact CG1-CE2 3.37Å; V130-V142 HydrophobicContact CG1-CG1 3.94Å; V130-E143 CarbonylContact C-O 3.23Å; V130-E143 WeakPolarHBondContact CA-O 3.47Å; V130-I144 HydrophobicContact CG1-CG1 4.3Å; V130-I144 HydrophobicContact CG2-CG1 4.32Å; V130-I144 HydrophobicContact CG2-CG2 4.14Å
131	V	98.2	Very high	96.9	Very high	23 Å²	23	38.5 Å²	38.5	14%	0.139	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	120.3	175.1	-174.6	0	0	0	0	108.6	T111 Q129 V142 E143	T111-V131 HydrophobicContact CG2-CG2 4.01Å; Q129-V131 HydrophobicContact CG-CG2 4.22Å; V131-V142 WeakPolarHBondContact O-CA 3.39Å; V131-E143 HydrophobicContact CB-CB 4.29Å; V131-E143 PolarHBondContact N-O 3.2Å; V131-E143 PolarHBondContact O-N 3.17Å
132	Y	98.6	Very high	97	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	123.6	168.5	-71.9	-82.8	0	0	0	108.6	I24 A29 L31 S109 V110 L112 V130 L140 V142 I160	I24-Y132 HydrophobicContact CD1-CD1 3.66Å; I24-Y132 HydrophobicContact CD1-CD2 4.02Å; I24-Y132 HydrophobicContact CD1-CE1 4Å; I24-Y132 HydrophobicContact CD1-CE2 4.33Å; I24-Y132 HydrophobicContact CD1-CG 3.68Å; I24-Y132 HydrophobicContact CG1-CD2 4.17Å; I24-Y132 HydrophobicContact CG1-CG 4.04Å; I24-Y132 HydrophobicContact CG2-CD2 3.8Å; I24-Y132 HydrophobicContact CG2-CE2 3.88Å; A29-Y132 PolarHBondContact O-OH 2.76Å; L31-Y132 HydrophobicContact CB-CE1 4.47Å; S109-Y132 CarbonylContact C-O 3.52Å; S109-Y132 WeakPolarHBondContact CA-O 3.32Å; S109-Y132 PolarHBondContact OG-O 3.22Å; V110-Y132 HydrophobicContact CG1-CD2 4.29Å; V110-Y132 PolarHBondContact N-O 3.24Å; V110-Y132 PolarHBondContact O-N 2.87Å; L112-Y132 HydrophobicContact CD1-CD2 3.82Å; L112-Y132 HydrophobicContact CD1-CE2 4.1Å; V130-Y132 HydrophobicContact CB-CE2 4.42Å; V130-Y132 HydrophobicContact CG1-CD2 3.89Å; V130-Y132 HydrophobicContact CG1-CE2 3.37Å; Y132-L140 HydrophobicContact CD1-CD1 4.11Å; Y132-L140 HydrophobicContact CD1-CD2 4.11Å; Y132-L140 HydrophobicContact CD1-CG 4.37Å; Y132-L140 HydrophobicContact CE1-CD2 4.48Å; Y132-V142 HydrophobicContact CD1-CB 4.44Å; Y132-V142 HydrophobicContact CD1-CG1 4.17Å; Y132-V142 HydrophobicContact CD1-CG2 3.66Å; Y132-V142 HydrophobicContact CE1-CB 4.29Å; Y132-V142 HydrophobicContact CE1-CG1 3.77Å; Y132-V142 HydrophobicContact CE1-CG2 3.51Å; Y132-I160 HydrophobicContact CE1-CD1 4.44Å
133	S	98.4	Very high	97	Very high	39 Å²	39	47 Å²	47	27%	0.273	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	128.2	175.6	-55.1	0	0	0	0	110.6	S109 S141	S109-S133 PolarHBondContact OG-OG 2.84Å; S133-S141 WeakPolarHBondContact CB-OG 3.21Å; S133-S141 PolarHBondContact N-O 2.85Å; S133-S141 PolarHBondContact O-N 3.16Å; S133-S141 PolarHBondContact O-OG 3.08Å
134	L	98.6	Very high	97	Very high	8 Å²	8	46.8 Å²	46.8	4%	0.042	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	124.8	-177.2	-166.6	65.5	0	0	0	110	L15 A17 Y20 A22 L34 T108 L140	L15-L134 HydrophobicContact CB-CB 4.22Å; L15-L134 HydrophobicContact CB-CD2 3.95Å; L15-L134 HydrophobicContact CD1-CB 4.44Å; A17-L134 HydrophobicContact CB-CB 4.35Å; A17-L134 HydrophobicContact CB-CD2 4.24Å; A17-L134 HydrophobicContact CB-CG 3.99Å; A17-L134 WeakPolarHBondContact CB-O 2.9Å; Y20-L134 HydrophobicContact CG-CD1 4.36Å; A22-L134 HydrophobicContact CB-CD1 4.36Å; A22-L134 HydrophobicContact CB-CD2 4.21Å; L34-L134 HydrophobicContact CD1-CD1 4.18Å; T108-L134 PolarHBondContact O-N 2.77Å; L134-L140 HydrophobicContact CD1-CB 3.99Å; L134-L140 HydrophobicContact CD1-CD1 4.14Å
135	N	98.2	Very high	96.8	Very high	71 Å²	71	48.5 Å²	48.5	38%	0.38	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	138.9	-179.3	-174.5	-72.7	0	0	0	110.6	Y20 H137 T138 G139	Y20-N135 WeakPolarHBondContact CD2-O 3.39Å; N135-H137 PolarHBondContact O-N 2.88Å; N135-H137 PolarHBondContact OD1-N 2.84Å; N135-T138 VanDerWaalsContact CB-OG1 3.25Å; N135-T138 WeakPolarHBondContact CB-OG1 3.46Å; N135-T138 PolarHBondContact OD1-N 3.46Å; N135-G139 PolarHBondContact N-O 3.11Å; N135-G139 PolarHBondContact O-N 2.86Å; N135-G139 VanDerWaalsContact O-N 3.09Å
136	A	98	Very high	96.8	Very high	40 Å²	40	47.4 Å²	47.4	33%	0.331	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-21.4	-177.8	0	0	0	0	0	114.7	A17	A17-A136 HydrophobicContact CB-CB 4.36Å; A17-A136 WeakPolarHBondContact O-CA 3.46Å
137	H	96.6	Very high	96.6	Very high	168 Å²	168	53.5 Å²	53.5	78%	0.778	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.6	-34.4	-175.7	-50.4	94.7	0	0	0	113.1	N135	N135-H137 PolarHBondContact O-N 2.88Å; N135-H137 PolarHBondContact OD1-N 2.84Å
138	T	94.7	Very high	96.5	Very high	114 Å²	114	54.2 Å²	54.2	70%	0.699	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.7	-2.6	-173.3	64	0	0	0	0	114	N135	N135-T138 VanDerWaalsContact CB-OG1 3.25Å; N135-T138 WeakPolarHBondContact CB-OG1 3.46Å; N135-T138 PolarHBondContact OD1-N 3.46Å
139	G	97.6	Very high	96.2	Very high	4 Å²	4	57.8 Å²	57.8	4%	0.041	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	79.6	-145.8	-179.9	0	0	0	0	0	113.6	N135	N135-G139 PolarHBondContact N-O 3.11Å; N135-G139 PolarHBondContact O-N 2.86Å; N135-G139 VanDerWaalsContact O-N 3.09Å
140	L	98.5	Very high	95.7	Very high	38 Å²	38	55.7 Å²	55.7	20%	0.199	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	126.3	-175.5	-176.5	70.2	0	0	0	111.1	A22 L31 L34 Y132 L134 V142	A22-L140 HydrophobicContact CB-CD1 4.35Å; L31-L140 HydrophobicContact CD1-CD2 3.72Å; L31-L140 HydrophobicContact CD2-CD2 3.81Å; L31-L140 HydrophobicContact CG-CD2 4.4Å; L34-L140 HydrophobicContact CD1-CB 4.05Å; L34-L140 HydrophobicContact CD1-CD2 4.36Å; L34-L140 HydrophobicContact CD2-CB 4.12Å; L34-L140 HydrophobicContact CD2-CD2 4.22Å; Y132-L140 HydrophobicContact CD1-CD1 4.11Å; Y132-L140 HydrophobicContact CD1-CD2 4.11Å; Y132-L140 HydrophobicContact CD1-CG 4.37Å; Y132-L140 HydrophobicContact CE1-CD2 4.48Å; L134-L140 HydrophobicContact CD1-CB 3.99Å; L134-L140 HydrophobicContact CD1-CD1 4.14Å; L140-V142 HydrophobicContact CD2-CG2 4.38Å; L140-V142 HydrophobicContact CG-CG2 4.36Å
141	S	98.1	Very high	95.1	Very high	68 Å²	68	62.7 Å²	62.7	48%	0.476	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	145.4	165.6	62.5	0	0	0	0	110.8	S133	S133-S141 WeakPolarHBondContact CB-OG 3.21Å; S133-S141 PolarHBondContact N-O 2.85Å; S133-S141 PolarHBondContact O-N 3.16Å; S133-S141 PolarHBondContact O-OG 3.08Å
142	V	97.8	Very high	94.4	Very high	58 Å²	58	65 Å²	65	35%	0.352	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	123.9	177.3	-168.3	0	0	0	0	108.9	V130 V131 Y132 L140 I144 I160	V130-V142 HydrophobicContact CG1-CG1 3.94Å; V131-V142 WeakPolarHBondContact O-CA 3.39Å; Y132-V142 HydrophobicContact CD1-CB 4.44Å; Y132-V142 HydrophobicContact CD1-CG1 4.17Å; Y132-V142 HydrophobicContact CD1-CG2 3.66Å; Y132-V142 HydrophobicContact CE1-CB 4.29Å; Y132-V142 HydrophobicContact CE1-CG1 3.77Å; Y132-V142 HydrophobicContact CE1-CG2 3.51Å; L140-V142 HydrophobicContact CD2-CG2 4.38Å; L140-V142 HydrophobicContact CG-CG2 4.36Å; V142-I144 HydrophobicContact CG1-CG1 4.12Å; V142-I160 HydrophobicContact CG1-CD1 4.02Å; V142-I160 HydrophobicContact CG2-CD1 4.38Å
143	E	96.4	Very high	93.8	Very high	125 Å²	125	67.2 Å²	67.2	58%	0.584	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.9	132.5	171.3	-173.7	-177.1	144.2	0	0	108.8	V130 V131	V130-E143 CarbonylContact C-O 3.23Å; V130-E143 WeakPolarHBondContact CA-O 3.47Å; V131-E143 HydrophobicContact CB-CB 4.29Å; V131-E143 PolarHBondContact N-O 3.2Å; V131-E143 PolarHBondContact O-N 3.17Å
144	I	95.4	Very high	93.4	Very high	46 Å²	46	66.2 Å²	66.2	24%	0.236	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	122.4	178.6	-50.3	171	0	0	0	108.5	V58 I60 Q129 V130 V142 V158 I160	V58-I144 HydrophobicContact CG1-CD1 4.11Å; V58-I144 HydrophobicContact CG1-CG2 4.37Å; V58-I144 HydrophobicContact CG2-CD1 4.35Å; I60-I144 HydrophobicContact CD1-CG2 3.87Å; Q129-I144 WeakPolarHBondContact O-CA 3.34Å; V130-I144 HydrophobicContact CG1-CG1 4.3Å; V130-I144 HydrophobicContact CG2-CG1 4.32Å; V130-I144 HydrophobicContact CG2-CG2 4.14Å; V142-I144 HydrophobicContact CG1-CG1 4.12Å; I144-V158 HydrophobicContact CB-CG2 4.15Å; I144-V158 HydrophobicContact CD1-CG2 3.94Å; I144-V158 HydrophobicContact CG2-CG2 3.62Å; I144-I160 HydrophobicContact CD1-CB 4.34Å
145	A	91.9	Very high	93.1	Very high	42 Å²	42	66.2 Å²	66.2	35%	0.347	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	144.4	177.9	0	0	0	0	0	110.1	S128 Q129	S128-A145 CarbonylContact C-O 3.56Å; S128-A145 WeakPolarHBondContact CA-O 3.39Å; Q129-A145 PolarHBondContact N-O 3.1Å; Q129-A145 PolarHBondContact O-N 2.83Å
146	S	92.8	Very high	92.9	Very high	38 Å²	38	66.5 Å²	66.5	27%	0.266	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	133	171.4	-64.3	0	0	0	0	110.4	A127 S128 Y156	A127-S146 CarbonylContact O-C 3.47Å; A127-S146 WeakPolarHBondContact O-CA 3.43Å; S128-S146 PolarHBondContact OG-OG 2.97Å; S146-Y156 VanDerWaalsContact CB-CE2 3.44Å; S146-Y156 VanDerWaalsContact CB-CZ 3.48Å; S146-Y156 WeakPolarHBondContact CB-OH 3.3Å; S146-Y156 PolarHBondContact OG-OH 2.77Å
147	Q	91.5	Very high	92.6	Very high	130 Å²	130	64.6 Å²	64.6	61%	0.607	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.5	126.4	174.2	-173.8	178.9	21.6	0	0	109.1	L126 A127 I149	L126-Q147 WeakPolarHBondContact CA-O 3.25Å; A127-Q147 PolarHBondContact N-O 2.88Å; A127-Q147 PolarHBondContact O-N 2.85Å; Q147-I149 HydrophobicContact CB-CG2 4.33Å; Q147-I149 HydrophobicContact CG-CG2 3.98Å; Q147-I149 PolarHBondContact O-N 3Å
148	N	92.4	Very high	92.6	Very high	53 Å²	53	57.4 Å²	57.4	28%	0.283	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	112.1	163.5	-179.4	7.8	0	0	0	109.2	M125 L126 G150 V152 A154	M125-N148 WeakPolarHBondContact O-CA 3.36Å; M125-N148 PolarHBondContact O-OD1 2.87Å; L126-N148 HydrophobicContact CD2-CB 4.01Å; N148-G150 PolarHBondContact OD1-N 2.79Å; N148-V152 PolarHBondContact ND2-O 2.93Å; N148-A154 PolarHBondContact ND2-N 2.84Å
149	I	91.9	Very high	92.7	Very high	78 Å²	78	52.1 Å²	52.1	40%	0.4	31%	0.306	S	S	.	.			trans	-101.6	11.2	179.8	57.7	165.8	0	0	0	112.1	F115 M125 A127 Q147	F115-I149 HydrophobicContact CD2-CD1 3.96Å; F115-I149 HydrophobicContact CE2-CD1 3.77Å; M125-I149 HydrophobicContact CB-CG1 3.9Å; M125-I149 PolarHBondContact O-N 2.97Å; A127-I149 HydrophobicContact CB-CD1 4.21Å; A127-I149 HydrophobicContact CB-CG2 4Å; Q147-I149 HydrophobicContact CB-CG2 4.33Å; Q147-I149 HydrophobicContact CG-CG2 3.98Å; Q147-I149 PolarHBondContact O-N 3Å
150	G	85.9	Confident	92.7	Very high	26 Å²	26	53 Å²	53	27%	0.268	31%	0.309	S	S	.	.	S	Bend	trans	-82.6	176.4	171.8	0	0	0	0	0	113.7	N148	N148-G150 PolarHBondContact OD1-N 2.79Å
151	T	86	Confident	92.6	Very high	148 Å²	148	51.5 Å²	51.5	91%	0.908	30%	0.301	S	S	*	.	S	Bend	trans	-92	-1.6	176.8	53.8	0	0	0	0	113.3
152	V	83	Confident	92.6	Very high	72 Å²	72	48.7 Å²	48.7	44%	0.436	28%	0.281	S	S	.	.	S	Bend	trans	-130.6	142.4	179.4	-63	0	0	0	0	109.6	F124 N148	F124-V152 HydrophobicContact CD1-CG2 3.92Å; F124-V152 HydrophobicContact CE1-CG2 3.95Å; N148-V152 PolarHBondContact ND2-O 2.93Å
153	A	86.8	Confident	92.7	Very high	45 Å²	45	46.1 Å²	46.1	37%	0.372	27%	0.265	S	S	.	.			trans	-57.7	146.1	174.8	0	0	0	0	0	111	Y73 F124	Y73-A153 WeakPolarHBondContact CE1-O 3.48Å; Y73-A153 VanDerWaalsContact OH-C 3.3Å; Y73-A153 WeakPolarHBondContact OH-CB 3.49Å; Y73-A153 PolarHBondContact OH-O 3.04Å; F124-A153 WeakPolarHBondContact CE1-O 3.46Å
154	A	89	Confident	92.8	Very high	19 Å²	19	40.7 Å²	40.7	16%	0.157	24%	0.24	C	C	.	.			trans	-122.3	135.7	-174.5	0	0	0	0	0	110.4	F124 L126 N148 Y156	F124-A154 HydrophobicContact CB-CB 3.53Å; F124-A154 HydrophobicContact CD1-CB 3.52Å; F124-A154 HydrophobicContact CD2-CB 4.22Å; F124-A154 HydrophobicContact CE1-CB 4.3Å; F124-A154 HydrophobicContact CG-CB 3.48Å; F124-A154 VanDerWaalsContact CG-CB 3.48Å; L126-A154 HydrophobicContact CD2-CB 4.46Å; N148-A154 PolarHBondContact ND2-N 2.84Å; A154-Y156 PolarHBondContact O-N 2.82Å
155	P	92.2	Very high	92.9	Very high	7 Å²	7	38.5 Å²	38.5	5%	0.045	23%	0.229	C	C	.	.			trans	-66.5	133.3	169.9	29.7	-31.2	0	0	0	109	Y71 Y73 Y122 F124 F274	Y71-P155 HydrophobicContact CD2-CG 4.49Å; Y71-P155 HydrophobicContact CE2-CG 3.87Å; Y73-P155 HydrophobicContact CD1-CG 4.29Å; Y73-P155 HydrophobicContact CD2-CB 3.89Å; Y73-P155 HydrophobicContact CD2-CG 4.04Å; Y73-P155 HydrophobicContact CE2-CB 4.06Å; Y73-P155 HydrophobicContact CE2-CG 4.38Å; Y73-P155 HydrophobicContact CG-CB 4.34Å; Y73-P155 HydrophobicContact CG-CG 3.97Å; Y122-P155 HydrophobicContact CE2-CG 4.28Å; Y122-P155 WeakPolarHBondContact CE2-O 3.42Å; Y122-P155 PolarHBondContact OH-O 2.85Å; F124-P155 VanDerWaalsContact CE2-CD 3.46Å; F124-P155 HydrophobicContact CE2-CG 4.02Å; F124-P155 HydrophobicContact CZ-CG 4.44Å; P155-F274 HydrophobicContact CB-CD1 4.01Å; P155-F274 HydrophobicContact CB-CD2 4.22Å; P155-F274 HydrophobicContact CB-CE1 3.87Å; P155-F274 HydrophobicContact CB-CE2 4.08Å; P155-F274 HydrophobicContact CB-CG 4.21Å; P155-F274 HydrophobicContact CB-CZ 3.9Å; P155-F274 HydrophobicContact CG-CD2 4.27Å; P155-F274 HydrophobicContact CG-CE2 4.01Å; P155-F274 HydrophobicContact CG-CZ 4.2Å; P155-F274 WeakPolarHBondContact O-CZ 3.39Å
156	Y	93.8	Very high	93.2	Very high	77 Å²	77	36.5 Å²	36.5	30%	0.302	21%	0.212	S	C	.	.			trans	-144.7	145.4	-171.3	179.3	-93.9	0	0	0	112.2	I60 P61 L126 S146 A154 V158	I60-Y156 HydrophobicContact CG2-CE2 3.99Å; P61-Y156 HydrophobicContact CB-CD2 3.95Å; P61-Y156 HydrophobicContact CB-CE2 4.37Å; P61-Y156 CarbonylContact O-C 3.51Å; L126-Y156 HydrophobicContact CD1-CD2 3.7Å; L126-Y156 HydrophobicContact CD1-CE2 3.89Å; S146-Y156 VanDerWaalsContact CB-CE2 3.44Å; S146-Y156 VanDerWaalsContact CB-CZ 3.48Å; S146-Y156 WeakPolarHBondContact CB-OH 3.3Å; S146-Y156 PolarHBondContact OG-OH 2.77Å; A154-Y156 PolarHBondContact O-N 2.82Å; Y156-V158 HydrophobicContact CE1-CB 3.99Å; Y156-V158 HydrophobicContact CE1-CG1 4.03Å; Y156-V158 WeakPolarHBondContact OH-CB 3.4Å
157	G	93.2	Very high	93.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.214	C	C	.	.			trans	-151.2	161.3	165	0	0	0	0	0	110	P61 W62 S268	P61-G157 CarbonylContact C-O 3.58Å; P61-G157 WeakPolarHBondContact CA-O 3.41Å; P61-G157 PolarHBondContact O-N 3.21Å; W62-G157 PolarHBondContact N-O 2.99Å; G157-S268 WeakPolarHBondContact CA-OG 3.34Å
158	V	95.9	Very high	93.7	Very high	18 Å²	18	34.3 Å²	34.3	11%	0.109	20%	0.201	C	C	.	.			trans	-140.3	148.8	178.5	60.9	0	0	0	0	111.3	L59 I60 I144 Y156 M267 S268	L59-V158 WeakPolarHBondContact O-CA 3.35Å; I60-V158 HydrophobicContact CD1-CG2 4.33Å; I60-V158 HydrophobicContact CG1-CB 4.42Å; I60-V158 HydrophobicContact CG1-CG2 3.81Å; I144-V158 HydrophobicContact CB-CG2 4.15Å; I144-V158 HydrophobicContact CD1-CG2 3.94Å; I144-V158 HydrophobicContact CG2-CG2 3.62Å; Y156-V158 HydrophobicContact CE1-CB 3.99Å; Y156-V158 HydrophobicContact CE1-CG1 4.03Å; Y156-V158 WeakPolarHBondContact OH-CB 3.4Å; V158-M267 CarbonylContact O-C 2.93Å; V158-M267 WeakPolarHBondContact O-CA 3.3Å; V158-S268 PolarHBondContact N-OG 3.39Å; V158-S268 PolarHBondContact O-N 3.38Å
159	G	96.5	Very high	93.9	Very high	3 Å²	3	32.7 Å²	32.7	3%	0.031	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	178.1	165.9	0	0	0	0	0	111.5	L59 P266	L59-G159 WeakPolarHBondContact CB-O 3.46Å; L59-G159 PolarHBondContact N-O 2.8Å; L59-G159 PolarHBondContact O-N 2.97Å; L59-G159 VanDerWaalsContact O-N 3.14Å; G159-P266 WeakPolarHBondContact CA-O 3.18Å
160	I	97.4	Very high	94.2	Very high	22 Å²	22	30.9 Å²	30.9	11%	0.113	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	146.9	175.9	-172.7	168.1	0	0	0	109.2	V58 Y132 V142 I144 P162 E265	V58-I160 HydrophobicContact CG2-CD1 4.21Å; V58-I160 HydrophobicContact CG2-CG1 4.29Å; Y132-I160 HydrophobicContact CE1-CD1 4.44Å; V142-I160 HydrophobicContact CG1-CD1 4.02Å; V142-I160 HydrophobicContact CG2-CD1 4.38Å; I144-I160 HydrophobicContact CD1-CB 4.34Å; I160-P162 WeakPolarHBondContact O-CD 3.23Å; I160-E265 VanDerWaalsContact O-CA 3.31Å; I160-E265 WeakPolarHBondContact O-CA 3.38Å; I160-E265 VanDerWaalsContact O-CB 3.25Å; I160-E265 WeakPolarHBondContact O-CB 3.32Å
161	H	97.9	Very high	94.8	Very high	7 Å²	7	29.6 Å²	29.6	3%	0.032	18%	0.175	C	C	.	.			trans	-114.2	57.3	-168.8	-157.4	-35.8	0	0	0	114.1	G56 K57 L59 H92 Y163 E265	G56-H161 WeakPolarHBondContact CA-O 3.29Å; G56-H161 PolarHBondContact N-O 3.29Å; K57-H161 PolarHBondContact O-N 3.37Å; L59-H161 HydrophobicContact CD1-CB 4.26Å; L59-H161 HydrophobicContact CD2-CB 4.15Å; L59-H161 HydrophobicContact CG-CB 4.46Å; H92-H161 AromaticContact CE1-CD2 3.69Å; H92-H161 AromaticContact NE2-CD2 3.83Å; H92-H161 AromaticContact NE2-NE2 3.89Å; H161-Y163 AromaticContact CE1-CE2 3.23Å; H161-Y163 WeakPolarHBondContact CE1-CE2 3.28Å; H161-Y163 AromaticContact CE1-CZ 3.44Å; H161-Y163 VanDerWaalsContact CE1-CZ 3.44Å; H161-Y163 PolarHBondContact CE1-OH 3.48Å; H161-Y163 VanDerWaalsContact CE1-OH 3.24Å; H161-Y163 AromaticContact ND1-CD2 3.81Å; H161-Y163 AromaticContact ND1-CE2 3.23Å; H161-Y163 WeakPolarHBondContact ND1-CE2 3.28Å; H161-Y163 AromaticContact ND1-CZ 3.92Å; H161-E265 IonicContact CD2-OE1 3.69Å; H161-E265 IonicContact CD2-OE2 3.44Å; H161-E265 PolarHBondContact CD2-OE2 3.4Å; H161-E265 IonicContact CE1-OE1 3.44Å; H161-E265 PolarHBondContact CE1-OE1 3.42Å; H161-E265 VanDerWaalsContact CE1-OE1 3.29Å; H161-E265 IonicContact CG-OE2 3.29Å; H161-E265 IonicContact ND1-OE1 3.33Å; H161-E265 IonicContact NE2-OE1 3.2Å; H161-E265 PolarHBondContact NE2-OE1 3.3Å; H161-E265 IonicContact NE2-OE2 3.82Å
162	P	97.6	Very high	95.4	Very high	9 Å²	9	25.3 Å²	25.3	6%	0.058	15%	0.146	C	C	.	.			trans	-73.2	143.4	176.3	34.4	-34	0	0	0	110.2	I160 L164 L242 A263 V264	I160-P162 WeakPolarHBondContact O-CD 3.23Å; P162-L164 HydrophobicContact CB-CD2 4.26Å; P162-L242 HydrophobicContact CG-CD1 4.1Å; P162-A263 VanDerWaalsContact O-CA 3.29Å; P162-A263 WeakPolarHBondContact O-CA 3.45Å; P162-V264 WeakPolarHBondContact CD-O 3.47Å; P162-V264 VanDerWaalsContact CG-O 3.27Å; P162-V264 WeakPolarHBondContact CG-O 3.48Å; P162-V264 PolarHBondContact O-N 3.49Å
163	Y	98.4	Very high	96.1	Very high	4 Å²	4	25.6 Å²	25.6	2%	0.016	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	100.7	167.4	-78	-103	0	0	0	108.6	V42 I43 A53 L55 H161 Y252 L257 L262 A263	V42-Y163 CarbonylContact C-O 3.58Å; V42-Y163 WeakPolarHBondContact CA-O 3.38Å; V42-Y163 WeakPolarHBondContact CB-O 3.23Å; I43-Y163 HydrophobicContact CD1-CD1 4.15Å; I43-Y163 HydrophobicContact CD1-CG 4.19Å; I43-Y163 PolarHBondContact N-O 3.23Å; A53-Y163 HydrophobicContact CB-CE2 4.49Å; A53-Y163 VanDerWaalsContact CB-OH 3.29Å; A53-Y163 WeakPolarHBondContact CB-OH 3.47Å; A53-Y163 WeakPolarHBondContact O-CE2 3.39Å; A53-Y163 PolarHBondContact O-OH 2.91Å; A53-Y163 VanDerWaalsContact O-OH 3.14Å; L55-Y163 HydrophobicContact CD2-CD2 3.34Å; L55-Y163 HydrophobicContact CD2-CE2 3.98Å; L55-Y163 HydrophobicContact CD2-CG 3.71Å; L55-Y163 HydrophobicContact CG-CD2 4.04Å; L55-Y163 HydrophobicContact CG-CE2 4.2Å; H161-Y163 AromaticContact CE1-CE2 3.23Å; H161-Y163 WeakPolarHBondContact CE1-CE2 3.28Å; H161-Y163 AromaticContact CE1-CZ 3.44Å; H161-Y163 VanDerWaalsContact CE1-CZ 3.44Å; H161-Y163 PolarHBondContact CE1-OH 3.48Å; H161-Y163 VanDerWaalsContact CE1-OH 3.24Å; H161-Y163 AromaticContact ND1-CD2 3.81Å; H161-Y163 AromaticContact ND1-CE2 3.23Å; H161-Y163 WeakPolarHBondContact ND1-CE2 3.28Å; H161-Y163 AromaticContact ND1-CZ 3.92Å; Y163-Y252 AromaticContact CE1-CD1 3.83Å; Y163-Y252 HydrophobicContact CE1-CD1 3.83Å; Y163-Y252 HydrophobicContact CE1-CE1 4.1Å; Y163-Y252 WeakPolarHBondContact OH-CD1 3.2Å; Y163-L257 HydrophobicContact CD1-CD1 3.67Å; Y163-L257 HydrophobicContact CD2-CD1 4.23Å; Y163-L257 HydrophobicContact CE1-CD1 3.57Å; Y163-L257 HydrophobicContact CE1-CG 4.38Å; Y163-L257 HydrophobicContact CE2-CD1 4.11Å; Y163-L257 HydrophobicContact CG-CD1 3.99Å; Y163-L262 CarbonylContact C-O 3.58Å; Y163-A263 HydrophobicContact CD1-CB 3.66Å; Y163-A263 HydrophobicContact CD2-CB 4.15Å; Y163-A263 HydrophobicContact CE1-CB 3.52Å; Y163-A263 HydrophobicContact CE2-CB 4.06Å; Y163-A263 HydrophobicContact CG-CB 4Å
164	L	98.5	Very high	96.6	Very high	10 Å²	10	23.4 Å²	23.4	5%	0.052	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	143.6	-179	-53.4	-176.4	0	0	0	110.6	L41 V42 P162 M229 I231 V240 L242 G261 L262 V264	L41-L164 WeakPolarHBondContact O-CA 3.44Å; V42-L164 HydrophobicContact CG1-CD2 4.15Å; P162-L164 HydrophobicContact CB-CD2 4.26Å; L164-M229 HydrophobicContact CD1-CE 4.44Å; L164-M229 HydrophobicContact CD1-SD 3.57Å; L164-M229 VanDerWaalsContact CD1-SD 3.57Å; L164-I231 HydrophobicContact CB-CD1 3.74Å; L164-V240 HydrophobicContact CD2-CG1 4.44Å; L164-L242 HydrophobicContact CD1-CB 3.96Å; L164-L242 HydrophobicContact CD1-CD1 4.19Å; L164-L242 HydrophobicContact CD2-CD1 4.39Å; L164-G261 CarbonylContact O-C 3.52Å; L164-G261 WeakPolarHBondContact O-CA 3.39Å; L164-L262 PolarHBondContact N-O 2.9Å; L164-L262 PolarHBondContact O-N 2.82Å; L164-V264 HydrophobicContact CD1-CB 4.18Å; L164-V264 HydrophobicContact CD1-CG2 4.19Å
165	T	98.5	Very high	97.1	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.133	C	C	.	.			trans	-149.1	145.3	-179.8	-169.9	0	0	0	0	110.9	H40 L41 V42 N167 L168 Y174 V240 Q260	H40-T165 HydrophobicContact CB-CG2 4.12Å; H40-T165 VanDerWaalsContact O-O 3.06Å; L41-T165 CarbonylContact C-O 3.53Å; L41-T165 WeakPolarHBondContact CA-O 3.25Å; L41-T165 PolarHBondContact O-N 3.31Å; V42-T165 VanDerWaalsContact C-CG2 3.47Å; T165-N167 PolarHBondContact O-N 3.38Å; T165-L168 HydrophobicContact CG2-CD2 3.9Å; T165-L168 WeakPolarHBondContact OG1-CA 3.46Å; T165-L168 PolarHBondContact OG1-N 2.94Å; T165-Y174 WeakPolarHBondContact CA-OH 3.44Å; T165-Y174 PolarHBondContact OG1-OH 3.28Å; T165-V240 VanDerWaalsContact O-CG2 3.28Å; T165-V240 WeakPolarHBondContact O-CG2 3.31Å; T165-Q260 PolarHBondContact OG1-O 2.9Å
166	C	98.3	Very high	97.4	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.131	C	C	.	.	S	Bend	trans	-90.6	82.8	164.3	-60.5	0	0	0	0	107.5	L168 T169 Y174 H233 Q236 L238	C166-L168 PolarHBondContact O-N 3Å; C166-T169 PolarHBondContact O-N 3Å; C166-T169 PolarHBondContact O-OG1 2.79Å; C166-Y174 HydrophobicContact CB-CD1 4.48Å; C166-Y174 HydrophobicContact CB-CE1 3.68Å; C166-Y174 PolarHBondContact N-OH 2.81Å; C166-H233 HydrophobicContact CB-CB 3.54Å; C166-Q236 PolarHBondContact O-OE1 2.73Å; C166-L238 HydrophobicContact CB-CB 4.36Å; C166-L238 HydrophobicContact CB-CD2 4.01Å; C166-L238 HydrophobicContact CB-CG 4.2Å; C166-L238 PolarHBondContact SG-O 2.93Å
167	N	97.8	Very high	97.6	Very high	55 Å²	55	24.8 Å²	24.8	29%	0.294	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	48.1	177.2	-161.3	38.5	0	0	0	114.5	C39 H40 T165 T169 L238	C39-N167 HydrophobicContact CB-CB 4.25Å; H40-N167 PolarHBondContact N-OD1 2.79Å; H40-N167 VanDerWaalsContact N-OD1 3.14Å; H40-N167 WeakPolarHBondContact O-CA 3.31Å; H40-N167 PolarHBondContact O-N 3.15Å; T165-N167 PolarHBondContact O-N 3.38Å; N167-T169 VanDerWaalsContact C-N 3.28Å; N167-T169 PolarHBondContact O-N 3.23Å; N167-L238 HydrophobicContact CB-CD2 3.83Å
168	L	97.2	Very high	97.8	Very high	67 Å²	67	24.8 Å²	24.8	35%	0.351	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.3	25.9	174.1	-49	176.3	0	0	0	114.8	H40 I43 T165 C166	H40-L168 HydrophobicContact CB-CD2 4.34Å; H40-L168 HydrophobicContact CB-CG 4.23Å; I43-L168 HydrophobicContact CG1-CD2 4.47Å; T165-L168 HydrophobicContact CG2-CD2 3.9Å; T165-L168 WeakPolarHBondContact OG1-CA 3.46Å; T165-L168 PolarHBondContact OG1-N 2.94Å; C166-L168 PolarHBondContact O-N 3Å
169	T	97.1	Very high	97.9	Very high	20 Å²	20	25.8 Å²	25.8	12%	0.123	14%	0.139	C	C	.	.			trans	-79.3	164.5	169.9	49.2	0	0	0	0	111.7	C166 N167 Y174 H233 Q236	C166-T169 PolarHBondContact O-N 3Å; C166-T169 PolarHBondContact O-OG1 2.79Å; N167-T169 VanDerWaalsContact C-N 3.28Å; N167-T169 PolarHBondContact O-N 3.23Å; T169-Y174 PolarHBondContact O-OH 2.76Å; T169-Y174 VanDerWaalsContact OG1-CE1 3.24Å; T169-Y174 WeakPolarHBondContact OG1-CE1 3.32Å; T169-Y174 PolarHBondContact OG1-OH 2.84Å; T169-H233 PolarHBondContact OG1-CD2 2.52Å; T169-H233 VanDerWaalsContact OG1-CD2 3.23Å; T169-Q236 VanDerWaalsContact CG2-CD 3.47Å; T169-Q236 HydrophobicContact CG2-CG 4.36Å
170	S	97.7	Very high	97.8	Very high	39 Å²	39	25.7 Å²	25.7	27%	0.273	14%	0.138	S	C	.	.			trans	-69.1	135.4	-179.9	-177	0	0	0	0	110.7	D172 E173	S170-D172 PolarHBondContact O-N 2.98Å; S170-D172 VanDerWaalsContact O-N 3.09Å; S170-D172 PolarHBondContact OG-N 2.92Å; S170-E173 PolarHBondContact O-N 2.85Å
171	V	98.1	Very high	97.7	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-53.7	-28.4	171.4	167.5	0	0	0	0	111.7	E173 Y174 I211 R259 G261 L262	V171-E173 PolarHBondContact O-N 2.85Å; V171-E173 VanDerWaalsContact O-N 3.11Å; V171-Y174 HydrophobicContact CB-CD2 4.21Å; V171-Y174 HydrophobicContact CB-CE2 4.27Å; V171-Y174 HydrophobicContact CG1-CD2 4.41Å; V171-Y174 HydrophobicContact CG2-CD2 4.06Å; V171-Y174 HydrophobicContact CG2-CE2 3.74Å; V171-Y174 PolarHBondContact O-N 3.35Å; V171-Y174 VanDerWaalsContact O-N 3.09Å; V171-I211 HydrophobicContact CG1-CB 4.25Å; V171-I211 HydrophobicContact CG1-CD1 3.66Å; V171-I211 HydrophobicContact CG1-CG2 3.86Å; V171-R259 HydrophobicContact CB-CB 4.2Å; V171-R259 WeakPolarHBondContact CB-O 3.07Å; V171-R259 VanDerWaalsContact CG2-O 3.23Å; V171-R259 WeakPolarHBondContact CG2-O 3.45Å; V171-R259 PolarHBondContact N-O 2.95Å; V171-G261 WeakPolarHBondContact CG2-O 3.27Å; V171-L262 HydrophobicContact CG1-CD1 4.21Å; V171-L262 HydrophobicContact CG2-CB 4.22Å
172	D	98.1	Very high	97.5	Very high	58 Å²	58	30.3 Å²	30.3	31%	0.31	16%	0.161	S	C	.	.	G	3₁₀ helix	trans	-58.8	-26.1	178.1	-60	-8.7	0	0	0	112.6	S170 K210 A212 R259	S170-D172 PolarHBondContact O-N 2.98Å; S170-D172 VanDerWaalsContact O-N 3.09Å; S170-D172 PolarHBondContact OG-N 2.92Å; D172-K210 WeakPolarHBondContact O-CE 3.33Å; D172-A212 WeakPolarHBondContact CA-O 3.26Å; D172-A212 VanDerWaalsContact O-CA 3.3Å; D172-A212 WeakPolarHBondContact O-CA 3.48Å; D172-A212 PolarHBondContact O-N 2.89Å; D172-A212 VanDerWaalsContact O-N 3.15Å; D172-R259 IonicContact OD1-CZ 3.78Å; D172-R259 VanDerWaalsContact OD1-CZ 3.23Å; D172-R259 IonicContact OD1-NE 2.77Å; D172-R259 PolarHBondContact OD1-NE 2.93Å; D172-R259 IonicContact OD1-NH2 3.9Å; D172-R259 PolarHBondContact OD1-NH2 2.83Å
173	E	97.8	Very high	97.5	Very high	77 Å²	77	29.9 Å²	29.9	36%	0.36	16%	0.158	S	C	.	.	G	3₁₀ helix	trans	-91.3	-9	-177.4	-61.4	-171.5	102.2	0	0	113.4	S170 V171 H233	S170-E173 PolarHBondContact O-N 2.85Å; V171-E173 PolarHBondContact O-N 2.85Å; V171-E173 VanDerWaalsContact O-N 3.11Å; E173-H233 IonicContact OE1-NE2 2.9Å; E173-H233 IonicContact OE2-NE2 2.69Å; E173-H233 PolarHBondContact OE2-NE2 3.02Å
174	Y	98.3	Very high	97.3	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.162	C	C	.	.			trans	-73.9	132.8	-178	-62.2	-18.3	0	0	0	112.5	T165 C166 T169 V171 K210 I211 I231 T232 H233	T165-Y174 WeakPolarHBondContact CA-OH 3.44Å; T165-Y174 PolarHBondContact OG1-OH 3.28Å; C166-Y174 HydrophobicContact CB-CD1 4.48Å; C166-Y174 HydrophobicContact CB-CE1 3.68Å; C166-Y174 PolarHBondContact N-OH 2.81Å; T169-Y174 PolarHBondContact O-OH 2.76Å; T169-Y174 VanDerWaalsContact OG1-CE1 3.24Å; T169-Y174 WeakPolarHBondContact OG1-CE1 3.32Å; T169-Y174 PolarHBondContact OG1-OH 2.84Å; V171-Y174 HydrophobicContact CB-CD2 4.21Å; V171-Y174 HydrophobicContact CB-CE2 4.27Å; V171-Y174 HydrophobicContact CG1-CD2 4.41Å; V171-Y174 HydrophobicContact CG2-CD2 4.06Å; V171-Y174 HydrophobicContact CG2-CE2 3.74Å; V171-Y174 PolarHBondContact O-N 3.35Å; V171-Y174 VanDerWaalsContact O-N 3.09Å; Y174-K210 CarbonylContact O-C 3.59Å; Y174-K210 VanDerWaalsContact O-CA 3.27Å; Y174-K210 WeakPolarHBondContact O-CA 3.37Å; Y174-I211 PolarHBondContact O-N 2.54Å; Y174-I231 HydrophobicContact CD2-CB 4.15Å; Y174-I231 HydrophobicContact CD2-CD1 4.07Å; Y174-I231 HydrophobicContact CD2-CG2 4Å; Y174-I231 HydrophobicContact CE2-CD1 3.86Å; Y174-I231 HydrophobicContact CG-CB 4.26Å; Y174-I231 HydrophobicContact CG-CG2 4.42Å; Y174-T232 WeakPolarHBondContact CA-O 3.07Å; Y174-H233 HydrophobicContact CD1-CB 4.19Å; Y174-H233 HydrophobicContact CE1-CB 4.16Å
175	L	98.4	Very high	97	Very high	63 Å²	63	31.1 Å²	31.1	33%	0.33	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	118.4	152.1	-60.5	-179.8	0	0	0	107.2	K210 I231 T232 P234	L175-K210 HydrophobicContact CD2-CB 3.99Å; L175-I231 CarbonylContact O-C 3.6Å; L175-I231 WeakPolarHBondContact O-CA 3.28Å; L175-T232 PolarHBondContact N-O 2.76Å; L175-T232 PolarHBondContact O-N 3.11Å; L175-P234 HydrophobicContact CD1-CG 3.89Å; L175-P234 HydrophobicContact CG-CG 3.97Å
176	F	98.6	Very high	96.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	134.3	-178.2	174	-130	0	0	0	110.3	L178 F205 A208 K209 I211 M229 T230 I231 V251 L262	F176-L178 HydrophobicContact CE1-CB 4.15Å; F176-L178 HydrophobicContact CE2-CB 4.1Å; F176-L178 HydrophobicContact CZ-CB 3.62Å; F176-L178 HydrophobicContact CZ-CD2 4.11Å; F176-L178 HydrophobicContact CZ-CG 4.38Å; F176-F205 HydrophobicContact CB-CD1 4.28Å; F176-F205 HydrophobicContact CD1-CB 3.85Å; F176-F205 AromaticContact CD1-CD1 3.5Å; F176-F205 HydrophobicContact CD1-CD1 3.5Å; F176-F205 AromaticContact CD1-CD2 3.82Å; F176-F205 HydrophobicContact CD1-CD2 3.82Å; F176-F205 AromaticContact CD1-CE1 3.96Å; F176-F205 HydrophobicContact CD1-CE1 3.96Å; F176-F205 HydrophobicContact CD1-CE2 4.24Å; F176-F205 AromaticContact CD1-CG 3.44Å; F176-F205 HydrophobicContact CD1-CG 3.44Å; F176-F205 VanDerWaalsContact CD1-CG 3.44Å; F176-F205 HydrophobicContact CD1-CZ 4.3Å; F176-F205 HydrophobicContact CE1-CB 3.96Å; F176-F205 HydrophobicContact CE1-CD1 4.28Å; F176-F205 AromaticContact CE1-CD2 3.79Å; F176-F205 HydrophobicContact CE1-CD2 3.79Å; F176-F205 HydrophobicContact CE1-CE2 4.36Å; F176-F205 AromaticContact CE1-CG 3.75Å; F176-F205 HydrophobicContact CE1-CG 3.75Å; F176-F205 HydrophobicContact CG-CD1 4.28Å; F176-F205 HydrophobicContact CG-CG 4.46Å; F176-A208 WeakPolarHBondContact O-CA 3.32Å; F176-K209 PolarHBondContact N-O 2.85Å; F176-K209 PolarHBondContact O-N 2.91Å; F176-I211 HydrophobicContact CB-CD1 3.63Å; F176-I211 HydrophobicContact CB-CG1 3.62Å; F176-I211 HydrophobicContact CD1-CD1 4.18Å; F176-I211 HydrophobicContact CD1-CG1 4.31Å; F176-I211 HydrophobicContact CG-CD1 4.03Å; F176-I211 HydrophobicContact CG-CG1 4.32Å; F176-M229 HydrophobicContact CD2-CE 3.68Å; F176-M229 HydrophobicContact CE2-CB 4.48Å; F176-M229 HydrophobicContact CE2-CE 3.48Å; F176-M229 VanDerWaalsContact CE2-CE 3.48Å; F176-M229 HydrophobicContact CE2-SD 4.03Å; F176-T230 WeakPolarHBondContact CA-O 3.46Å; F176-I231 HydrophobicContact CD2-CG2 3.92Å; F176-V251 HydrophobicContact CE1-CG1 4.1Å; F176-V251 HydrophobicContact CE1-CG2 4.46Å; F176-V251 HydrophobicContact CZ-CG1 4.08Å; F176-V251 HydrophobicContact CZ-CG2 3.99Å; F176-L262 HydrophobicContact CD1-CD2 4.44Å; F176-L262 HydrophobicContact CD2-CD2 3.73Å; F176-L262 HydrophobicContact CE1-CD2 4.47Å; F176-L262 HydrophobicContact CE2-CD2 3.75Å; F176-L262 HydrophobicContact CG-CD2 4.1Å; F176-L262 HydrophobicContact CZ-CD2 4.13Å
177	Q	98.3	Very high	96.1	Very high	68 Å²	68	36.7 Å²	36.7	32%	0.318	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	132.1	173.7	-171.1	177.8	6.9	0	0	110.4	F205 T206 A208 M229 T230	Q177-F205 CarbonylContact C-O 3.53Å; Q177-F205 VanDerWaalsContact CA-O 3.3Å; Q177-F205 WeakPolarHBondContact CA-O 3.48Å; Q177-T206 PolarHBondContact NE2-O 3.42Å; Q177-T206 VanDerWaalsContact NE2-O 3.09Å; Q177-A208 HydrophobicContact CB-CB 4.25Å; Q177-M229 CarbonylContact O-C 3.59Å; Q177-M229 VanDerWaalsContact O-CA 3.26Å; Q177-M229 WeakPolarHBondContact O-CA 3.35Å; Q177-M229 WeakPolarHBondContact O-CB 3.48Å; Q177-T230 PolarHBondContact N-O 2.82Å; Q177-T230 PolarHBondContact O-N 2.84Å
178	L	97.9	Very high	95.5	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.005	22%	0.224	C	C	.	.			trans	-142.5	120.8	176.8	176.9	68.6	0	0	0	109.4	F176 A180 F205 T206 F220 W227 M229 V249 V251	F176-L178 HydrophobicContact CE1-CB 4.15Å; F176-L178 HydrophobicContact CE2-CB 4.1Å; F176-L178 HydrophobicContact CZ-CB 3.62Å; F176-L178 HydrophobicContact CZ-CD2 4.11Å; F176-L178 HydrophobicContact CZ-CG 4.38Å; L178-A180 HydrophobicContact CD2-CB 3.9Å; L178-A180 HydrophobicContact CG-CB 3.87Å; L178-A180 PolarHBondContact O-N 2.81Å; L178-F205 HydrophobicContact CB-CB 4.36Å; L178-F205 PolarHBondContact N-O 3.43Å; L178-F205 CarbonylContact O-C 3.56Å; L178-T206 WeakPolarHBondContact O-CA 3.47Å; L178-T206 PolarHBondContact O-N 2.97Å; L178-F220 HydrophobicContact CD2-CB 3.92Å; L178-F220 HydrophobicContact CD2-CD1 4.1Å; L178-F220 HydrophobicContact CD2-CD2 4.12Å; L178-F220 HydrophobicContact CD2-CG 3.78Å; L178-W227 HydrophobicContact CD1-CE3 4.25Å; L178-W227 HydrophobicContact CD1-CZ3 4.17Å; L178-M229 HydrophobicContact CD1-CB 3.83Å; L178-V249 HydrophobicContact CD1-CG1 4.06Å; L178-V249 HydrophobicContact CD2-CG1 3.91Å; L178-V251 HydrophobicContact CD2-CG2 3.94Å
179	P	96.5	Very high	94.8	Very high	39 Å²	39	42.7 Å²	42.7	25%	0.253	22%	0.222	S	C	.	.			trans	-77.5	58.9	178.5	34.1	-39.2	0	0	0	112.3	A223 W227 E228	P179-A223 PolarHBondContact O-N 2.99Å; P179-W227 HydrophobicContact CG-CB 3.74Å; P179-E228 WeakPolarHBondContact CD-O 3.47Å
180	A	96.1	Very high	94.1	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.008	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	127.9	174.2	0	0	0	0	0	109.8	L178 T206 F220 K221 T222	L178-A180 HydrophobicContact CD2-CB 3.9Å; L178-A180 HydrophobicContact CG-CB 3.87Å; L178-A180 PolarHBondContact O-N 2.81Å; A180-T206 VanDerWaalsContact O-CG2 3.3Å; A180-T206 WeakPolarHBondContact O-CG2 3.37Å; A180-F220 HydrophobicContact CB-CB 3.71Å; A180-F220 HydrophobicContact CB-CD1 4.17Å; A180-F220 HydrophobicContact CB-CG 4.36Å; A180-K221 WeakPolarHBondContact CA-O 3.37Å; A180-K221 VanDerWaalsContact CB-O 3.29Å; A180-K221 WeakPolarHBondContact CB-O 3.36Å; A180-T222 HydrophobicContact CB-CG2 4.46Å
181	N	93.9	Very high	93.4	Very high	63 Å²	63	41.9 Å²	41.9	34%	0.337	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	-6.2	-179.7	64.7	-7.5	0	0	0	112.8	H197 V198	N181-H197 WeakPolarHBondContact O-CA 3.32Å; N181-H197 PolarHBondContact O-CD2 3.3Å; N181-V198 PolarHBondContact O-N 3.45Å
182	Q	95.4	Very high	92.6	Very high	62 Å²	62	43 Å²	43	29%	0.29	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	144.6	179.8	-74.1	-174.8	-43.8	0	0	111.4	L195 H196 F220 K221	Q182-L195 HydrophobicContact CB-CD1 3.99Å; Q182-L195 HydrophobicContact CB-CD2 3.97Å; Q182-L195 HydrophobicContact CB-CG 3.86Å; Q182-L195 VanDerWaalsContact CD-CD2 3.5Å; Q182-L195 HydrophobicContact CG-CD2 4.23Å; Q182-L195 HydrophobicContact CG-CG 4.33Å; Q182-H196 CarbonylContact C-O 3.42Å; Q182-H196 WeakPolarHBondContact CA-O 3.46Å; Q182-F220 CarbonylContact O-C 3.16Å; Q182-F220 VanDerWaalsContact O-CA 3.3Å; Q182-F220 WeakPolarHBondContact O-CA 3.37Å; Q182-K221 HydrophobicContact CB-CB 4.06Å; Q182-K221 PolarHBondContact O-N 3.45Å
183	V	96.8	Very high	91.9	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	139.6	-177.7	60.2	0	0	0	0	110.6	H196 V198 L201 L203 H218 T219 F220	V183-H196 PolarHBondContact N-O 3.33Å; V183-H196 PolarHBondContact O-N 3.09Å; V183-V198 HydrophobicContact CB-CG1 4.07Å; V183-V198 HydrophobicContact CG1-CB 4.49Å; V183-V198 HydrophobicContact CG1-CG1 3.98Å; V183-L201 HydrophobicContact CG1-CB 4.4Å; V183-L201 HydrophobicContact CG1-CD1 3.71Å; V183-L201 HydrophobicContact CG1-CG 4.2Å; V183-L201 HydrophobicContact CG2-CD1 4.42Å; V183-L203 HydrophobicContact CG2-CD1 4.07Å; V183-H218 HydrophobicContact CG2-CB 3.66Å; V183-T219 CarbonylContact C-O 3.46Å; V183-T219 WeakPolarHBondContact CA-O 3.16Å; V183-F220 HydrophobicContact CB-CD1 3.85Å; V183-F220 HydrophobicContact CB-CE1 3.97Å; V183-F220 HydrophobicContact CB-CG 4.42Å; V183-F220 HydrophobicContact CG2-CD1 3.97Å; V183-F220 HydrophobicContact CG2-CD2 4.41Å; V183-F220 HydrophobicContact CG2-CE1 3.84Å; V183-F220 HydrophobicContact CG2-CE2 4.26Å; V183-F220 HydrophobicContact CG2-CG 4.25Å; V183-F220 HydrophobicContact CG2-CZ 3.99Å
184	Y	94.7	Very high	91.3	Very high	23 Å²	23	41.9 Å²	41.9	9%	0.09	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	128.7	172.1	-83.8	-67	0	0	0	110.6	P192 T194 L195 H218 T219 W248 P270	Y184-P192 HydrophobicContact CD1-CB 3.73Å; Y184-P192 HydrophobicContact CD2-CB 3.95Å; Y184-P192 HydrophobicContact CE1-CB 4.32Å; Y184-P192 HydrophobicContact CE2-CB 4.48Å; Y184-P192 HydrophobicContact CG-CB 3.52Å; Y184-T194 WeakPolarHBondContact CA-O 3.46Å; Y184-L195 HydrophobicContact CD1-CB 4.25Å; Y184-L195 HydrophobicContact CD1-CD1 4.16Å; Y184-L195 HydrophobicContact CD2-CD1 4.03Å; Y184-L195 HydrophobicContact CE1-CB 4.03Å; Y184-L195 HydrophobicContact CE1-CD1 4.21Å; Y184-L195 HydrophobicContact CE2-CD1 4.12Å; Y184-L195 HydrophobicContact CG-CD1 4.06Å; Y184-H218 PolarHBondContact O-CD2 2.83Å; Y184-T219 HydrophobicContact CD2-CG2 4.15Å; Y184-T219 PolarHBondContact N-O 2.94Å; Y184-W248 AromaticContact CD2-CZ3 3.95Å; Y184-W248 HydrophobicContact CD2-CZ3 3.95Å; Y184-W248 HydrophobicContact CE2-CE3 4.04Å; Y184-W248 AromaticContact CE2-CH2 3.64Å; Y184-W248 HydrophobicContact CE2-CH2 3.64Å; Y184-W248 AromaticContact CE2-CZ3 3.25Å; Y184-W248 HydrophobicContact CE2-CZ3 3.25Å; Y184-W248 AromaticContact CZ-CH2 3.97Å; Y184-P270 HydrophobicContact CE2-CB 3.72Å
185	A	92.6	Very high	91	Very high	18 Å²	18	43.4 Å²	43.4	15%	0.149	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	148.5	158.4	0	0	0	0	0	109.4	P192 T193 T194 L201	A185-P192 WeakPolarHBondContact O-CA 3.46Å; A185-T193 PolarHBondContact O-N 2.84Å; A185-T193 PolarHBondContact O-OG1 3.21Å; A185-T194 PolarHBondContact N-O 3.02Å; A185-L201 HydrophobicContact CB-CD1 4.21Å
186	V	89.5	Confident	90.7	Very high	57 Å²	57	42.7 Å²	42.7	35%	0.345	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	145	-179.6	-64.9	0	0	0	0	111.7	N191	V186-N191 VanDerWaalsContact CA-O 3.29Å; V186-N191 WeakPolarHBondContact CA-O 3.42Å
187	D	86.7	Confident	90.6	Very high	60 Å²	60	46.3 Å²	46.3	32%	0.321	25%	0.245	S	C	.	.			trans	-78.5	-178.7	171.4	71	9.3	0	0	0	112.2	H189 A190 N191 T193	D187-H189 PolarHBondContact O-N 3.35Å; D187-H189 VanDerWaalsContact O-N 3.09Å; D187-H189 VanDerWaalsContact OD1-CA 3.24Å; D187-H189 WeakPolarHBondContact OD1-CA 3.49Å; D187-H189 WeakPolarHBondContact OD1-CB 3.24Å; D187-H189 PolarHBondContact OD1-N 2.78Å; D187-A190 PolarHBondContact O-N 3.29Å; D187-A190 PolarHBondContact OD1-N 2.9Å; D187-N191 PolarHBondContact N-O 3.41Å; D187-N191 PolarHBondContact OD1-N 2.59Å; D187-N191 PolarHBondContact OD2-ND2 3.28Å; D187-T193 HydrophobicContact CB-CG2 3.88Å
188	E	84.9	Confident	90.5	Very high	180 Å²	180	43.1 Å²	43.1	84%	0.841	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-12.2	176.1	62.6	-170.9	-157.7	0	0	114.6
189	H	82.6	Confident	90.3	Very high	67 Å²	67	47.6 Å²	47.6	31%	0.31	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	8.7	175.9	-62.8	-44.4	0	0	0	112.8	S87 D187 N191	S87-H189 WeakPolarHBondContact CB-O 3.29Å; D187-H189 PolarHBondContact O-N 3.35Å; D187-H189 VanDerWaalsContact O-N 3.09Å; D187-H189 VanDerWaalsContact OD1-CA 3.24Å; D187-H189 WeakPolarHBondContact OD1-CA 3.49Å; D187-H189 WeakPolarHBondContact OD1-CB 3.24Å; D187-H189 PolarHBondContact OD1-N 2.78Å; H189-N191 WeakPolarHBondContact CB-ND2 3.37Å; H189-N191 PolarHBondContact O-N 3.14Å
190	A	84.1	Confident	90.3	Very high	25 Å²	25	51.6 Å²	51.6	21%	0.207	27%	0.269	C	S	.	.	S	Bend	trans	60.5	27.3	-176.5	0	0	0	0	0	114.3	R65 D187	R65-A190 PolarHBondContact NH1-O 3.24Å; R65-A190 VanDerWaalsContact NH1-O 3.11Å; D187-A190 PolarHBondContact O-N 3.29Å; D187-A190 PolarHBondContact OD1-N 2.9Å
191	N	82.5	Confident	90.1	Very high	17 Å²	17	54.5 Å²	54.5	9%	0.091	28%	0.284	C	S	.	.			trans	-85.5	141	168.2	-56.6	-61.5	0	0	0	109.8	V186 D187 H189	V186-N191 VanDerWaalsContact CA-O 3.29Å; V186-N191 WeakPolarHBondContact CA-O 3.42Å; D187-N191 PolarHBondContact N-O 3.41Å; D187-N191 PolarHBondContact OD1-N 2.59Å; D187-N191 PolarHBondContact OD2-ND2 3.28Å; H189-N191 WeakPolarHBondContact CB-ND2 3.37Å; H189-N191 PolarHBondContact O-N 3.14Å
192	P	80.7	Confident	90.2	Very high	25 Å²	25	56.5 Å²	56.5	16%	0.162	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	141.6	173.4	30.3	-36.7	0	0	0	110.4	Y184 A185 P271	Y184-P192 HydrophobicContact CD1-CB 3.73Å; Y184-P192 HydrophobicContact CD2-CB 3.95Å; Y184-P192 HydrophobicContact CE1-CB 4.32Å; Y184-P192 HydrophobicContact CE2-CB 4.48Å; Y184-P192 HydrophobicContact CG-CB 3.52Å; A185-P192 WeakPolarHBondContact O-CA 3.46Å; P192-P271 HydrophobicContact CG-CB 3.76Å; P192-P271 HydrophobicContact CG-CG 4.13Å
193	T	83.8	Confident	90.2	Very high	62 Å²	62	53.9 Å²	53.9	38%	0.38	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	-83.8	-179.4	54.4	0	0	0	0	110.6	A185 D187	A185-T193 PolarHBondContact O-N 2.84Å; A185-T193 PolarHBondContact O-OG1 3.21Å; D187-T193 HydrophobicContact CB-CG2 3.88Å
194	T	85.4	Confident	90.3	Very high	48 Å²	48	55.7 Å²	55.7	29%	0.294	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	143.5	-177.6	-54.6	0	0	0	0	109.9	Y184 A185 H196 L345	Y184-T194 WeakPolarHBondContact CA-O 3.46Å; A185-T194 PolarHBondContact N-O 3.02Å; T194-H196 PolarHBondContact O-CD2 2.99Å; T194-H196 VanDerWaalsContact O-CD2 3.28Å; T194-L345 HydrophobicContact CG2-CD1 4.03Å; T194-L345 HydrophobicContact CG2-CG 4.45Å
195	L	90.8	Very high	90.4	Very high	33 Å²	33	54.7 Å²	54.7	17%	0.173	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	119.5	174.6	-165.2	71.2	0	0	0	109	Q182 Y184 K221 W248 L345	Q182-L195 HydrophobicContact CB-CD1 3.99Å; Q182-L195 HydrophobicContact CB-CD2 3.97Å; Q182-L195 HydrophobicContact CB-CG 3.86Å; Q182-L195 VanDerWaalsContact CD-CD2 3.5Å; Q182-L195 HydrophobicContact CG-CD2 4.23Å; Q182-L195 HydrophobicContact CG-CG 4.33Å; Y184-L195 HydrophobicContact CD1-CB 4.25Å; Y184-L195 HydrophobicContact CD1-CD1 4.16Å; Y184-L195 HydrophobicContact CD2-CD1 4.03Å; Y184-L195 HydrophobicContact CE1-CB 4.03Å; Y184-L195 HydrophobicContact CE1-CD1 4.21Å; Y184-L195 HydrophobicContact CE2-CD1 4.12Å; Y184-L195 HydrophobicContact CG-CD1 4.06Å; L195-K221 HydrophobicContact CD2-CD 4.07Å; L195-W248 HydrophobicContact CD1-CZ3 4.18Å; L195-L345 HydrophobicContact CB-CD1 3.94Å
196	H	92.8	Very high	90.6	Very high	48 Å²	48	55.8 Å²	55.8	22%	0.222	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	160.6	179.2	-69.4	-87	0	0	0	110.9	Q182 V183 T194 E200	Q182-H196 CarbonylContact C-O 3.42Å; Q182-H196 WeakPolarHBondContact CA-O 3.46Å; V183-H196 PolarHBondContact N-O 3.33Å; V183-H196 PolarHBondContact O-N 3.09Å; T194-H196 PolarHBondContact O-CD2 2.99Å; T194-H196 VanDerWaalsContact O-CD2 3.28Å; H196-E200 HydrophobicContact CB-CB 4.18Å; H196-E200 IonicContact CE1-OE2 3.29Å; H196-E200 IonicContact CG-OE2 3.71Å; H196-E200 IonicContact ND1-OE2 3.35Å; H196-E200 PolarHBondContact ND1-OE2 3.27Å
197	H	95.6	Very high	90.9	Very high	76 Å²	76	59.8 Å²	59.8	35%	0.352	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	142.8	161	-166.1	-100	0	0	0	109.8	N181 D199 E200	N181-H197 WeakPolarHBondContact O-CA 3.32Å; N181-H197 PolarHBondContact O-CD2 3.3Å; H197-D199 IonicContact CE1-OD2 3.35Å; H197-D199 PolarHBondContact CE1-OD2 3.14Å; H197-D199 PolarHBondContact ND1-N 2.97Å; H197-D199 IonicContact ND1-OD2 3.84Å; H197-D199 PolarHBondContact ND1-OD2 2.88Å; H197-D199 VanDerWaalsContact ND1-OD2 3.14Å; H197-D199 PolarHBondContact O-N 3.13Å; H197-D199 VanDerWaalsContact O-N 3.13Å; H197-E200 WeakPolarHBondContact CA-OE1 3.45Å; H197-E200 HydrophobicContact CB-CG 4.24Å; H197-E200 VanDerWaalsContact CB-OE1 3.24Å; H197-E200 WeakPolarHBondContact CB-OE1 3.47Å; H197-E200 PolarHBondContact N-OE1 3.01Å; H197-E200 WeakPolarHBondContact O-CB 3.19Å; H197-E200 PolarHBondContact O-N 2.83Å
198	V	96.3	Very high	91.4	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-59.4	-28	-175.5	-74	0	0	0	0	114.7	N181 V183 E200 L201 D202 L203 N204 F220	N181-V198 PolarHBondContact O-N 3.45Å; V183-V198 HydrophobicContact CB-CG1 4.07Å; V183-V198 HydrophobicContact CG1-CB 4.49Å; V183-V198 HydrophobicContact CG1-CG1 3.98Å; V198-E200 VanDerWaalsContact C-N 3.28Å; V198-E200 PolarHBondContact O-N 2.94Å; V198-L201 PolarHBondContact O-N 2.79Å; V198-D202 PolarHBondContact O-N 2.94Å; V198-L203 CarbonylContact O-C 3.6Å; V198-L203 PolarHBondContact O-N 3.28Å; V198-N204 HydrophobicContact CB-CB 4.14Å; V198-N204 HydrophobicContact CG2-CB 3.72Å; V198-N204 PolarHBondContact O-N 3.22Å; V198-F220 HydrophobicContact CG1-CD1 3.95Å; V198-F220 HydrophobicContact CG1-CE1 4.02Å
199	D	95.6	Very high	92	Very high	96 Å²	96	54.4 Å²	54.4	51%	0.513	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-66.1	-30.4	175.6	-70	-41.9	0	0	0	112.6	H197 L201 D202 N204	H197-D199 IonicContact CE1-OD2 3.35Å; H197-D199 PolarHBondContact CE1-OD2 3.14Å; H197-D199 PolarHBondContact ND1-N 2.97Å; H197-D199 IonicContact ND1-OD2 3.84Å; H197-D199 PolarHBondContact ND1-OD2 2.88Å; H197-D199 VanDerWaalsContact ND1-OD2 3.14Å; H197-D199 PolarHBondContact O-N 3.13Å; H197-D199 VanDerWaalsContact O-N 3.13Å; D199-L201 PolarHBondContact O-N 3.49Å; D199-D202 PolarHBondContact O-N 3.3Å; D199-N204 VanDerWaalsContact OD1-CB 3.23Å; D199-N204 WeakPolarHBondContact OD1-CB 3.43Å; D199-N204 PolarHBondContact OD1-ND2 2.93Å
200	E	95	Very high	92.7	Very high	122 Å²	122	56.2 Å²	56.2	57%	0.57	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-66.4	-23.4	-178	-62.5	174.2	-114.9	0	0	112.3	H196 H197 V198	H196-E200 HydrophobicContact CB-CB 4.18Å; H196-E200 IonicContact CE1-OE2 3.29Å; H196-E200 IonicContact CG-OE2 3.71Å; H196-E200 IonicContact ND1-OE2 3.35Å; H196-E200 PolarHBondContact ND1-OE2 3.27Å; H197-E200 WeakPolarHBondContact CA-OE1 3.45Å; H197-E200 HydrophobicContact CB-CG 4.24Å; H197-E200 VanDerWaalsContact CB-OE1 3.24Å; H197-E200 WeakPolarHBondContact CB-OE1 3.47Å; H197-E200 PolarHBondContact N-OE1 3.01Å; H197-E200 WeakPolarHBondContact O-CB 3.19Å; H197-E200 PolarHBondContact O-N 2.83Å; V198-E200 VanDerWaalsContact C-N 3.28Å; V198-E200 PolarHBondContact O-N 2.94Å
201	L	93.2	Very high	93.4	Very high	62 Å²	62	55 Å²	55	33%	0.325	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-110.4	8.3	179.4	-58.6	-172.3	0	0	0	113.7	V183 A185 V198 D199 L203	V183-L201 HydrophobicContact CG1-CB 4.4Å; V183-L201 HydrophobicContact CG1-CD1 3.71Å; V183-L201 HydrophobicContact CG1-CG 4.2Å; V183-L201 HydrophobicContact CG2-CD1 4.42Å; A185-L201 HydrophobicContact CB-CD1 4.21Å; V198-L201 PolarHBondContact O-N 2.79Å; D199-L201 PolarHBondContact O-N 3.49Å; L201-L203 HydrophobicContact CB-CB 4.44Å; L201-L203 HydrophobicContact CB-CD1 4Å; L201-L203 HydrophobicContact CB-CG 4.13Å; L201-L203 HydrophobicContact CD1-CD1 4.42Å; L201-L203 WeakPolarHBondContact O-CG 3.29Å; L201-L203 PolarHBondContact O-N 3.2Å
202	D	94.5	Very high	94.1	Very high	105 Å²	105	56.2 Å²	56.2	56%	0.561	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	30.8	-170.8	-170	28.1	0	0	0	113.5	V198 D199 K209	V198-D202 PolarHBondContact O-N 2.94Å; D199-D202 PolarHBondContact O-N 3.3Å; D202-K209 IonicContact OD1-NZ 3.4Å; D202-K209 PolarHBondContact OD1-NZ 2.86Å; D202-K209 IonicContact OD2-NZ 3.91Å
203	L	96.7	Very high	94.9	Very high	8 Å²	8	59.1 Å²	59.1	4%	0.042	33%	0.326	C	S	.	.			trans	-109.9	25.6	179.5	-66.7	175.2	0	0	0	111.8	V183 V198 L201 F205 T214 I216 H218 F220	V183-L203 HydrophobicContact CG2-CD1 4.07Å; V198-L203 CarbonylContact O-C 3.6Å; V198-L203 PolarHBondContact O-N 3.28Å; L201-L203 HydrophobicContact CB-CB 4.44Å; L201-L203 HydrophobicContact CB-CD1 4Å; L201-L203 HydrophobicContact CB-CG 4.13Å; L201-L203 HydrophobicContact CD1-CD1 4.42Å; L201-L203 WeakPolarHBondContact O-CG 3.29Å; L201-L203 PolarHBondContact O-N 3.2Å; L203-F205 HydrophobicContact CB-CE2 4.38Å; L203-F205 HydrophobicContact CD2-CE2 4.07Å; L203-F205 WeakPolarHBondContact O-CD2 2.99Å; L203-F205 PolarHBondContact O-N 2.82Å; L203-F205 VanDerWaalsContact O-N 3.15Å; L203-T214 HydrophobicContact CD2-CG2 4.08Å; L203-I216 HydrophobicContact CD2-CG1 4.21Å; L203-I216 HydrophobicContact CD2-CG2 4.44Å; L203-H218 HydrophobicContact CD1-CB 4.19Å; L203-H218 WeakPolarHBondContact CD1-ND1 3.45Å; L203-F220 HydrophobicContact CB-CE1 3.98Å; L203-F220 HydrophobicContact CB-CZ 3.98Å; L203-F220 HydrophobicContact CD1-CZ 4.24Å; L203-F220 WeakPolarHBondContact O-CE1 3.47Å
204	N	97.3	Very high	95.5	Very high	37 Å²	37	58.1 Å²	58.1	20%	0.198	32%	0.32	C	S	.	.			trans	-75.6	103.9	176.2	-169.2	-12.6	0	0	0	111.4	V198 D199 T206	V198-N204 HydrophobicContact CB-CB 4.14Å; V198-N204 HydrophobicContact CG2-CB 3.72Å; V198-N204 PolarHBondContact O-N 3.22Å; D199-N204 VanDerWaalsContact OD1-CB 3.23Å; D199-N204 WeakPolarHBondContact OD1-CB 3.43Å; D199-N204 PolarHBondContact OD1-ND2 2.93Å; N204-T206 WeakPolarHBondContact OD1-CB 3.36Å; N204-T206 WeakPolarHBondContact OD1-CG2 3.42Å; N204-T206 PolarHBondContact OD1-N 3.44Å; N204-T206 PolarHBondContact OD1-OG1 2.86Å
205	F	97.6	Very high	96	Very high	3 Å²	3	63.3 Å²	63.3	1%	0.013	34%	0.338	C	S	.	.			trans	-112.8	18.9	173.1	-61.2	-76.4	0	0	0	112.3	F176 Q177 L178 L203 Q207 K209 I211 I216	F176-F205 HydrophobicContact CB-CD1 4.28Å; F176-F205 HydrophobicContact CD1-CB 3.85Å; F176-F205 AromaticContact CD1-CD1 3.5Å; F176-F205 HydrophobicContact CD1-CD1 3.5Å; F176-F205 AromaticContact CD1-CD2 3.82Å; F176-F205 HydrophobicContact CD1-CD2 3.82Å; F176-F205 AromaticContact CD1-CE1 3.96Å; F176-F205 HydrophobicContact CD1-CE1 3.96Å; F176-F205 HydrophobicContact CD1-CE2 4.24Å; F176-F205 AromaticContact CD1-CG 3.44Å; F176-F205 HydrophobicContact CD1-CG 3.44Å; F176-F205 VanDerWaalsContact CD1-CG 3.44Å; F176-F205 HydrophobicContact CD1-CZ 4.3Å; F176-F205 HydrophobicContact CE1-CB 3.96Å; F176-F205 HydrophobicContact CE1-CD1 4.28Å; F176-F205 AromaticContact CE1-CD2 3.79Å; F176-F205 HydrophobicContact CE1-CD2 3.79Å; F176-F205 HydrophobicContact CE1-CE2 4.36Å; F176-F205 AromaticContact CE1-CG 3.75Å; F176-F205 HydrophobicContact CE1-CG 3.75Å; F176-F205 HydrophobicContact CG-CD1 4.28Å; F176-F205 HydrophobicContact CG-CG 4.46Å; Q177-F205 CarbonylContact C-O 3.53Å; Q177-F205 VanDerWaalsContact CA-O 3.3Å; Q177-F205 WeakPolarHBondContact CA-O 3.48Å; L178-F205 HydrophobicContact CB-CB 4.36Å; L178-F205 PolarHBondContact N-O 3.43Å; L178-F205 CarbonylContact O-C 3.56Å; L203-F205 HydrophobicContact CB-CE2 4.38Å; L203-F205 HydrophobicContact CD2-CE2 4.07Å; L203-F205 WeakPolarHBondContact O-CD2 2.99Å; L203-F205 PolarHBondContact O-N 2.82Å; L203-F205 VanDerWaalsContact O-N 3.15Å; F205-Q207 CarbonylContact C-O 3.43Å; F205-Q207 PolarHBondContact O-N 3.16Å; F205-K209 HydrophobicContact CD1-CB 3.99Å; F205-K209 HydrophobicContact CD1-CD 4.45Å; F205-K209 HydrophobicContact CE1-CB 4.26Å; F205-K209 HydrophobicContact CE1-CD 4.22Å; F205-K209 HydrophobicContact CE1-CG 4.37Å; F205-I211 HydrophobicContact CE1-CG1 4.3Å; F205-I216 HydrophobicContact CE2-CD1 3.68Å; F205-I216 HydrophobicContact CZ-CD1 3.69Å
206	T	96.5	Very high	96.3	Very high	41 Å²	41	61.8 Å²	61.8	25%	0.252	33%	0.33	S	S	.	.	S	Bend	trans	-60.7	-28.6	176.3	59.3	0	0	0	0	112.2	Q177 L178 A180 N204	Q177-T206 PolarHBondContact NE2-O 3.42Å; Q177-T206 VanDerWaalsContact NE2-O 3.09Å; L178-T206 WeakPolarHBondContact O-CA 3.47Å; L178-T206 PolarHBondContact O-N 2.97Å; A180-T206 VanDerWaalsContact O-CG2 3.3Å; A180-T206 WeakPolarHBondContact O-CG2 3.37Å; N204-T206 WeakPolarHBondContact OD1-CB 3.36Å; N204-T206 WeakPolarHBondContact OD1-CG2 3.42Å; N204-T206 PolarHBondContact OD1-N 3.44Å; N204-T206 PolarHBondContact OD1-OG1 2.86Å
207	Q	96.2	Very high	96.5	Very high	140 Å²	140	62 Å²	62	65%	0.654	33%	0.333	S	S	*	.	S	Bend	trans	-109.6	148.9	166.4	-61.6	-61.3	-36.6	0	0	109.6	F205 K209	F205-Q207 CarbonylContact C-O 3.43Å; F205-Q207 PolarHBondContact O-N 3.16Å; Q207-K209 PolarHBondContact O-N 3.44Å
208	A	97.4	Very high	96.5	Very high	58 Å²	58	60 Å²	60	48%	0.479	32%	0.324	S	S	.	.			trans	-56.4	114.4	179	0	0	0	0	0	111.1	F176 Q177	F176-A208 WeakPolarHBondContact O-CA 3.32Å; Q177-A208 HydrophobicContact CB-CB 4.25Å
209	K	97.1	Very high	96.6	Very high	69 Å²	69	60.2 Å²	60.2	30%	0.3	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	142.7	-178.9	178.8	-176.6	176.5	-174.8	0	109.3	F176 D202 F205 Q207 I211	F176-K209 PolarHBondContact N-O 2.85Å; F176-K209 PolarHBondContact O-N 2.91Å; D202-K209 IonicContact OD1-NZ 3.4Å; D202-K209 PolarHBondContact OD1-NZ 2.86Å; D202-K209 IonicContact OD2-NZ 3.91Å; F205-K209 HydrophobicContact CD1-CB 3.99Å; F205-K209 HydrophobicContact CD1-CD 4.45Å; F205-K209 HydrophobicContact CE1-CB 4.26Å; F205-K209 HydrophobicContact CE1-CD 4.22Å; F205-K209 HydrophobicContact CE1-CG 4.37Å; Q207-K209 PolarHBondContact O-N 3.44Å; K209-I211 PolarHBondContact O-N 2.84Å
210	K	97.9	Very high	96.7	Very high	106 Å²	106	55.7 Å²	55.7	46%	0.461	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	130.2	175.4	-168.8	172.1	-179.2	169.4	0	109.9	D172 Y174 L175 A212	D172-K210 WeakPolarHBondContact O-CE 3.33Å; Y174-K210 CarbonylContact O-C 3.59Å; Y174-K210 VanDerWaalsContact O-CA 3.27Å; Y174-K210 WeakPolarHBondContact O-CA 3.37Å; L175-K210 HydrophobicContact CD2-CB 3.99Å; K210-A212 HydrophobicContact CG-CB 4.3Å
211	I	98.1	Very high	96.7	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.286	C	S	.	.			trans	-68.4	-42	176.6	-63	175.6	0	0	0	110.7	V171 Y174 F176 F205 K209 A213 T214 I216 L262	V171-I211 HydrophobicContact CG1-CB 4.25Å; V171-I211 HydrophobicContact CG1-CD1 3.66Å; V171-I211 HydrophobicContact CG1-CG2 3.86Å; Y174-I211 PolarHBondContact O-N 2.54Å; F176-I211 HydrophobicContact CB-CD1 3.63Å; F176-I211 HydrophobicContact CB-CG1 3.62Å; F176-I211 HydrophobicContact CD1-CD1 4.18Å; F176-I211 HydrophobicContact CD1-CG1 4.31Å; F176-I211 HydrophobicContact CG-CD1 4.03Å; F176-I211 HydrophobicContact CG-CG1 4.32Å; F205-I211 HydrophobicContact CE1-CG1 4.3Å; K209-I211 PolarHBondContact O-N 2.84Å; I211-A213 PolarHBondContact O-N 2.86Å; I211-T214 WeakPolarHBondContact O-CB 3.18Å; I211-T214 PolarHBondContact O-N 3.48Å; I211-T214 VanDerWaalsContact O-N 3.08Å; I211-T214 PolarHBondContact O-OG1 3.37Å; I211-I216 HydrophobicContact CG2-CD1 4.22Å; I211-L262 HydrophobicContact CD1-CD1 3.96Å; I211-L262 HydrophobicContact CD1-CD2 3.97Å
212	A	97.6	Very high	96.6	Very high	41 Å²	41	50.1 Å²	50.1	34%	0.339	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.9	-135.9	-179.6	0	0	0	0	0	111.6	D172 K210 T214 R259	D172-A212 WeakPolarHBondContact CA-O 3.26Å; D172-A212 VanDerWaalsContact O-CA 3.3Å; D172-A212 WeakPolarHBondContact O-CA 3.48Å; D172-A212 PolarHBondContact O-N 2.89Å; D172-A212 VanDerWaalsContact O-N 3.15Å; K210-A212 HydrophobicContact CG-CB 4.3Å; A212-T214 PolarHBondContact O-N 2.88Å; A212-R259 PolarHBondContact O-NH2 3.3Å
213	A	96.8	Very high	96.2	Very high	86 Å²	86	47.8 Å²	47.8	71%	0.711	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	2.1	-179.1	0	0	0	0	0	114.3	I211 K215	I211-A213 PolarHBondContact O-N 2.86Å; A213-K215 PolarHBondContact O-N 2.88Å
214	T	97.2	Very high	95.6	Very high	42 Å²	42	52.2 Å²	52.2	26%	0.258	29%	0.292	S	S	.	.			trans	-64.1	127.8	-177.6	-58.4	0	0	0	0	110.2	L203 I211 A212 I216 R259	L203-T214 HydrophobicContact CD2-CG2 4.08Å; I211-T214 WeakPolarHBondContact O-CB 3.18Å; I211-T214 PolarHBondContact O-N 3.48Å; I211-T214 VanDerWaalsContact O-N 3.08Å; I211-T214 PolarHBondContact O-OG1 3.37Å; A212-T214 PolarHBondContact O-N 2.88Å; T214-I216 HydrophobicContact CG2-CG1 4.04Å; T214-R259 PolarHBondContact O-NH1 3.43Å; T214-R259 PolarHBondContact O-NH2 2.81Å
215	K	96.4	Very high	94.7	Very high	157 Å²	157	56.4 Å²	56.4	68%	0.683	31%	0.314	S	S	*	.			trans	-91.7	128.7	172.3	-64.3	-174	-173.9	-178.5	0	108.8	A213	A213-K215 PolarHBondContact O-N 2.88Å
216	I	96.8	Very high	94.4	Very high	1 Å²	1	62.2 Å²	62.2	1%	0.005	35%	0.345	C	S	.	.			trans	-126.8	124.1	-178.6	-44.5	175.2	0	0	0	106.1	L203 F205 I211 T214 F220 V251 Y252 S253	L203-I216 HydrophobicContact CD2-CG1 4.21Å; L203-I216 HydrophobicContact CD2-CG2 4.44Å; F205-I216 HydrophobicContact CE2-CD1 3.68Å; F205-I216 HydrophobicContact CZ-CD1 3.69Å; I211-I216 HydrophobicContact CG2-CD1 4.22Å; T214-I216 HydrophobicContact CG2-CG1 4.04Å; I216-F220 HydrophobicContact CG2-CE2 3.98Å; I216-F220 HydrophobicContact CG2-CZ 4.23Å; I216-V251 CarbonylContact C-O 3.58Å; I216-V251 HydrophobicContact CB-CG1 4.42Å; I216-V251 HydrophobicContact CD1-CG1 4.38Å; I216-V251 HydrophobicContact CG2-CB 3.96Å; I216-V251 HydrophobicContact CG2-CG1 3.91Å; I216-V251 WeakPolarHBondContact CG2-O 3.29Å; I216-Y252 CarbonylContact O-C 3.56Å; I216-Y252 VanDerWaalsContact O-CA 3.25Å; I216-Y252 WeakPolarHBondContact O-CA 3.25Å; I216-Y252 WeakPolarHBondContact O-CD2 3.34Å; I216-S253 PolarHBondContact N-OG 2.9Å; I216-S253 PolarHBondContact O-N 3.16Å; I216-S253 PolarHBondContact O-OG 2.96Å
217	D	95.9	Very high	94.3	Very high	53 Å²	53	60.8 Å²	60.8	28%	0.283	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	62.9	164.1	-170.4	6.6	0	0	0	107	Q250 V251 Y252	D217-Q250 PolarHBondContact O-NE2 2.82Å; D217-Q250 PolarHBondContact OD1-NE2 2.89Å; D217-V251 WeakPolarHBondContact CA-O 3.46Å; D217-Y252 HydrophobicContact CB-CD2 3.83Å; D217-Y252 HydrophobicContact CB-CE2 4.39Å
218	H	96.8	Very high	94.4	Very high	33 Å²	33	58.9 Å²	58.9	15%	0.153	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	147.4	-169	-60.6	90.5	0	0	0	111.2	V183 Y184 L203 F220 V251	V183-H218 HydrophobicContact CG2-CB 3.66Å; Y184-H218 PolarHBondContact O-CD2 2.83Å; L203-H218 HydrophobicContact CD1-CB 4.19Å; L203-H218 WeakPolarHBondContact CD1-ND1 3.45Å; H218-F220 HydrophobicContact CB-CE2 3.95Å; H218-F220 HydrophobicContact CB-CZ 4.44Å; H218-F220 WeakPolarHBondContact O-CD2 3.45Å; H218-V251 PolarHBondContact N-O 3.16Å; H218-V251 VanDerWaalsContact N-O 3.11Å; H218-V251 PolarHBondContact O-N 2.77Å
219	T	97.2	Very high	94.4	Very high	4 Å²	4	56.1 Å²	56.1	3%	0.025	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	124.8	170.8	-52.3	0	0	0	0	109.6	V183 Y184 W248 V249 Q250 M267 P271	V183-T219 CarbonylContact C-O 3.46Å; V183-T219 WeakPolarHBondContact CA-O 3.16Å; Y184-T219 HydrophobicContact CD2-CG2 4.15Å; Y184-T219 PolarHBondContact N-O 2.94Å; T219-W248 HydrophobicContact CG2-CB 4.41Å; T219-W248 HydrophobicContact CG2-CE3 3.89Å; T219-V249 CarbonylContact C-O 3.53Å; T219-V249 WeakPolarHBondContact CA-O 3.24Å; T219-Q250 PolarHBondContact OG1-OE1 2.98Å; T219-M267 HydrophobicContact CG2-CE 3.72Å; T219-P271 HydrophobicContact CG2-CG 4.41Å; T219-P271 WeakPolarHBondContact OG1-CD 3.32Å; T219-P271 WeakPolarHBondContact OG1-CG 3.49Å
220	F	97.6	Very high	94.5	Very high	2 Å²	2	54.7 Å²	54.7	1%	0.009	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	153.3	173.2	-63.3	-101.7	0	0	0	110.2	L178 A180 Q182 V183 V198 L203 I216 H218 V249 V251	L178-F220 HydrophobicContact CD2-CB 3.92Å; L178-F220 HydrophobicContact CD2-CD1 4.1Å; L178-F220 HydrophobicContact CD2-CD2 4.12Å; L178-F220 HydrophobicContact CD2-CG 3.78Å; A180-F220 HydrophobicContact CB-CB 3.71Å; A180-F220 HydrophobicContact CB-CD1 4.17Å; A180-F220 HydrophobicContact CB-CG 4.36Å; Q182-F220 CarbonylContact O-C 3.16Å; Q182-F220 VanDerWaalsContact O-CA 3.3Å; Q182-F220 WeakPolarHBondContact O-CA 3.37Å; V183-F220 HydrophobicContact CB-CD1 3.85Å; V183-F220 HydrophobicContact CB-CE1 3.97Å; V183-F220 HydrophobicContact CB-CG 4.42Å; V183-F220 HydrophobicContact CG2-CD1 3.97Å; V183-F220 HydrophobicContact CG2-CD2 4.41Å; V183-F220 HydrophobicContact CG2-CE1 3.84Å; V183-F220 HydrophobicContact CG2-CE2 4.26Å; V183-F220 HydrophobicContact CG2-CG 4.25Å; V183-F220 HydrophobicContact CG2-CZ 3.99Å; V198-F220 HydrophobicContact CG1-CD1 3.95Å; V198-F220 HydrophobicContact CG1-CE1 4.02Å; L203-F220 HydrophobicContact CB-CE1 3.98Å; L203-F220 HydrophobicContact CB-CZ 3.98Å; L203-F220 HydrophobicContact CD1-CZ 4.24Å; L203-F220 WeakPolarHBondContact O-CE1 3.47Å; I216-F220 HydrophobicContact CG2-CE2 3.98Å; I216-F220 HydrophobicContact CG2-CZ 4.23Å; H218-F220 HydrophobicContact CB-CE2 3.95Å; H218-F220 HydrophobicContact CB-CZ 4.44Å; H218-F220 WeakPolarHBondContact O-CD2 3.45Å; F220-V249 HydrophobicContact CB-CG1 3.76Å; F220-V249 PolarHBondContact N-O 2.83Å; F220-V249 PolarHBondContact O-N 3.34Å; F220-V251 HydrophobicContact CD2-CB 4.13Å; F220-V251 HydrophobicContact CD2-CG2 3.77Å; F220-V251 HydrophobicContact CE2-CB 3.82Å; F220-V251 HydrophobicContact CE2-CG2 3.88Å
221	K	95.2	Very high	94.5	Very high	61 Å²	61	49.6 Å²	49.6	27%	0.265	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	123.8	170.5	-170.5	-172.9	175.3	-169.6	0	108.7	A180 Q182 L195 L247 W248	A180-K221 WeakPolarHBondContact CA-O 3.37Å; A180-K221 VanDerWaalsContact CB-O 3.29Å; A180-K221 WeakPolarHBondContact CB-O 3.36Å; Q182-K221 HydrophobicContact CB-CB 4.06Å; Q182-K221 PolarHBondContact O-N 3.45Å; L195-K221 HydrophobicContact CD2-CD 4.07Å; K221-L247 HydrophobicContact CG-CD1 4Å; K221-L247 HydrophobicContact CG-CG 4Å; K221-W248 HydrophobicContact CB-CE3 3.85Å; K221-W248 HydrophobicContact CB-CH2 4.28Å; K221-W248 HydrophobicContact CB-CZ3 3.62Å; K221-W248 HydrophobicContact CD-CH2 3.85Å; K221-W248 HydrophobicContact CD-CZ2 4.29Å; K221-W248 HydrophobicContact CD-CZ3 4.07Å; K221-W248 HydrophobicContact CG-CD2 4.49Å; K221-W248 HydrophobicContact CG-CE3 4.1Å; K221-W248 HydrophobicContact CG-CH2 4.12Å; K221-W248 HydrophobicContact CG-CZ2 4.47Å; K221-W248 HydrophobicContact CG-CZ3 3.9Å
222	T	92.7	Very high	94.5	Very high	5 Å²	5	51.3 Å²	51.3	3%	0.031	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	154.1	-175.9	61.5	0	0	0	0	111.5	A180 N224 W227 L247 V249	A180-T222 HydrophobicContact CB-CG2 4.46Å; T222-N224 VanDerWaalsContact C-N 3.34Å; T222-N224 PolarHBondContact OG1-O 3.09Å; T222-W227 HydrophobicContact CG2-CD2 3.89Å; T222-W227 HydrophobicContact CG2-CG 3.74Å; T222-W227 HydrophobicContact CG2-CZ2 4.39Å; T222-L247 PolarHBondContact N-O 2.99Å; T222-L247 PolarHBondContact OG1-O 3.48Å; T222-V249 HydrophobicContact CG2-CG1 4.03Å
223	A	85.4	Confident	94.5	Very high	57 Å²	57	49.8 Å²	49.8	47%	0.471	27%	0.274	S	S	.	.	S	Bend	trans	-75.9	-24.5	-179.8	0	0	0	0	0	113.1	P179	P179-A223 PolarHBondContact O-N 2.99Å
224	N	84.6	Confident	94.5	Very high	101 Å²	101	48.5 Å²	48.5	54%	0.54	26%	0.259	S	S	.	.	S	Bend	trans	-131.8	155.3	-177	-56.8	-50	0	0	0	109.9	T222 L226	T222-N224 VanDerWaalsContact C-N 3.34Å; T222-N224 PolarHBondContact OG1-O 3.09Å; N224-L226 WeakPolarHBondContact CB-O 3.35Å
225	D	77.9	Confident	94.4	Very high	124 Å²	124	53.2 Å²	53.2	66%	0.663	28%	0.278	S	S	*	.	S	Bend	trans	-60.7	-46.4	175.6	-62.3	-26.1	0	0	0	111	D245	D225-D245 CarbonylContact O-C 3.6Å; D225-D245 WeakPolarHBondContact O-CA 3.28Å
226	L	90.9	Very high	94.1	Very high	126 Å²	126	49.5 Å²	49.5	66%	0.66	26%	0.263	S	S	*	.	S	Bend	trans	-99.1	126.9	172.5	-174.1	69.4	0	0	0	110.7	N224 S244	N224-L226 WeakPolarHBondContact CB-O 3.35Å; L226-S244 WeakPolarHBondContact CA-O 3.32Å
227	W	95.1	Very high	94	Very high	10 Å²	10	53.9 Å²	53.9	4%	0.038	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	160.6	-179.8	55.4	-90.6	0	0	0	112.2	L178 P179 T222 M229 L242 C243 S244 Q246 V249 P266	L178-W227 HydrophobicContact CD1-CE3 4.25Å; L178-W227 HydrophobicContact CD1-CZ3 4.17Å; P179-W227 HydrophobicContact CG-CB 3.74Å; T222-W227 HydrophobicContact CG2-CD2 3.89Å; T222-W227 HydrophobicContact CG2-CG 3.74Å; T222-W227 HydrophobicContact CG2-CZ2 4.39Å; W227-M229 HydrophobicContact CE3-CB 4.29Å; W227-M229 HydrophobicContact CZ3-CB 3.93Å; W227-M229 HydrophobicContact CZ3-CG 3.86Å; W227-L242 HydrophobicContact CH2-CD2 3.6Å; W227-L242 HydrophobicContact CZ3-CD2 3.69Å; W227-C243 VanDerWaalsContact O-CA 3.23Å; W227-C243 WeakPolarHBondContact O-CA 3.1Å; W227-S244 VanDerWaalsContact CZ2-CB 3.47Å; W227-S244 PolarHBondContact N-O 3.49Å; W227-S244 PolarHBondContact O-N 3.37Å; W227-Q246 PolarHBondContact NE1-O 3.04Å; W227-V249 HydrophobicContact CH2-CB 4.12Å; W227-V249 HydrophobicContact CH2-CG2 3.79Å; W227-V249 HydrophobicContact CZ2-CB 3.94Å; W227-V249 HydrophobicContact CZ2-CG2 4.12Å; W227-P266 HydrophobicContact CH2-CG 4.04Å; W227-P266 HydrophobicContact CZ2-CB 4.23Å; W227-P266 HydrophobicContact CZ2-CG 4.19Å
228	E	97.6	Very high	94	Very high	101 Å²	101	52.7 Å²	52.7	47%	0.472	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	134	173.2	179.7	173.7	-158.3	0	0	109	P179 T230 S241 L242	P179-E228 WeakPolarHBondContact CD-O 3.47Å; E228-T230 HydrophobicContact CG-CG2 4.49Å; E228-S241 WeakPolarHBondContact OE1-CB 3.48Å; E228-S241 PolarHBondContact OE1-OG 3.24Å; E228-L242 WeakPolarHBondContact CA-O 3.24Å
229	M	97.9	Very high	94.1	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	148.4	170.5	73.5	111.4	-43.6	0	0	109.3	L164 F176 Q177 L178 W227 I231 S241 L242 V264	L164-M229 HydrophobicContact CD1-CE 4.44Å; L164-M229 HydrophobicContact CD1-SD 3.57Å; L164-M229 VanDerWaalsContact CD1-SD 3.57Å; F176-M229 HydrophobicContact CD2-CE 3.68Å; F176-M229 HydrophobicContact CE2-CB 4.48Å; F176-M229 HydrophobicContact CE2-CE 3.48Å; F176-M229 VanDerWaalsContact CE2-CE 3.48Å; F176-M229 HydrophobicContact CE2-SD 4.03Å; Q177-M229 CarbonylContact O-C 3.59Å; Q177-M229 VanDerWaalsContact O-CA 3.26Å; Q177-M229 WeakPolarHBondContact O-CA 3.35Å; Q177-M229 WeakPolarHBondContact O-CB 3.48Å; L178-M229 HydrophobicContact CD1-CB 3.83Å; W227-M229 HydrophobicContact CE3-CB 4.29Å; W227-M229 HydrophobicContact CZ3-CB 3.93Å; W227-M229 HydrophobicContact CZ3-CG 3.86Å; M229-I231 HydrophobicContact CE-CB 4.48Å; M229-I231 HydrophobicContact CE-CG2 3.85Å; M229-S241 WeakPolarHBondContact O-CA 3.49Å; M229-S241 WeakPolarHBondContact O-CB 3.44Å; M229-L242 HydrophobicContact CG-CB 3.85Å; M229-L242 PolarHBondContact N-O 2.95Å; M229-L242 PolarHBondContact O-N 3.42Å; M229-L242 VanDerWaalsContact O-N 3.09Å; M229-L242 HydrophobicContact SD-CB 4.27Å; M229-V264 HydrophobicContact CG-CG1 4.08Å; M229-V264 HydrophobicContact SD-CB 3.95Å; M229-V264 HydrophobicContact SD-CG1 3.69Å; M229-V264 HydrophobicContact SD-CG2 3.64Å
230	T	98.5	Very high	94.1	Very high	38 Å²	38	54.7 Å²	54.7	23%	0.233	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	138.6	174.1	62.5	0	0	0	0	112.6	F176 Q177 E228 V240	F176-T230 WeakPolarHBondContact CA-O 3.46Å; Q177-T230 PolarHBondContact N-O 2.82Å; Q177-T230 PolarHBondContact O-N 2.84Å; E228-T230 HydrophobicContact CG-CG2 4.49Å; T230-V240 WeakPolarHBondContact CA-O 3.5Å
231	I	98.6	Very high	94.1	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	138.4	158.8	54.4	172.5	0	0	0	108.5	L164 Y174 L175 F176 M229 S239 V240 L262	L164-I231 HydrophobicContact CB-CD1 3.74Å; Y174-I231 HydrophobicContact CD2-CB 4.15Å; Y174-I231 HydrophobicContact CD2-CD1 4.07Å; Y174-I231 HydrophobicContact CD2-CG2 4Å; Y174-I231 HydrophobicContact CE2-CD1 3.86Å; Y174-I231 HydrophobicContact CG-CB 4.26Å; Y174-I231 HydrophobicContact CG-CG2 4.42Å; L175-I231 CarbonylContact O-C 3.6Å; L175-I231 WeakPolarHBondContact O-CA 3.28Å; F176-I231 HydrophobicContact CD2-CG2 3.92Å; M229-I231 HydrophobicContact CE-CB 4.48Å; M229-I231 HydrophobicContact CE-CG2 3.85Å; I231-S239 CarbonylContact O-C 3.58Å; I231-S239 WeakPolarHBondContact O-CA 3.32Å; I231-V240 HydrophobicContact CD1-CB 4.14Å; I231-V240 HydrophobicContact CD1-CG2 4.38Å; I231-V240 HydrophobicContact CG1-CB 3.77Å; I231-V240 HydrophobicContact CG1-CG2 4.33Å; I231-V240 PolarHBondContact N-O 2.94Å; I231-V240 PolarHBondContact O-N 3.37Å; I231-L262 HydrophobicContact CG2-CD2 3.72Å
232	T	98.5	Very high	94.3	Very high	35 Å²	35	56 Å²	56	22%	0.215	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	132.1	175.3	-60.1	0	0	0	0	109.8	Y174 L175 P234 L238 S239	Y174-T232 WeakPolarHBondContact CA-O 3.07Å; L175-T232 PolarHBondContact N-O 2.76Å; L175-T232 PolarHBondContact O-N 3.11Å; T232-P234 WeakPolarHBondContact O-CD 3.24Å; T232-L238 WeakPolarHBondContact CA-O 3.48Å; T232-S239 WeakPolarHBondContact CG2-OG 3.33Å; T232-S239 PolarHBondContact OG1-OG 3.29Å
233	H	98.1	Very high	94.5	Very high	9 Å²	9	59.6 Å²	59.6	4%	0.042	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	102.3	167.3	-172.5	-83.4	0	0	0	109.8	C166 T169 E173 Y174 Q235 Q236 A237 L238	C166-H233 HydrophobicContact CB-CB 3.54Å; T169-H233 PolarHBondContact OG1-CD2 2.52Å; T169-H233 VanDerWaalsContact OG1-CD2 3.23Å; E173-H233 IonicContact OE1-NE2 2.9Å; E173-H233 IonicContact OE2-NE2 2.69Å; E173-H233 PolarHBondContact OE2-NE2 3.02Å; Y174-H233 HydrophobicContact CD1-CB 4.19Å; Y174-H233 HydrophobicContact CE1-CB 4.16Å; H233-Q235 VanDerWaalsContact C-N 3.31Å; H233-Q235 PolarHBondContact O-N 2.74Å; H233-Q236 HydrophobicContact CB-CB 4.26Å; H233-Q236 WeakPolarHBondContact ND1-CB 3.48Å; H233-Q236 WeakPolarHBondContact ND1-CG 3.37Å; H233-Q236 PolarHBondContact ND1-N 3.04Å; H233-Q236 VanDerWaalsContact ND1-N 3.12Å; H233-Q236 PolarHBondContact O-N 2.71Å; H233-Q236 VanDerWaalsContact O-N 3.12Å; H233-A237 PolarHBondContact O-N 3.16Å; H233-A237 VanDerWaalsContact O-N 3.09Å; H233-L238 PolarHBondContact N-O 3.24Å
234	P	95.9	Very high	95	Very high	60 Å²	60	57.6 Å²	57.6	39%	0.39	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-37.2	-167.9	-26.4	36	0	0	0	114.2	L175 T232 A237	L175-P234 HydrophobicContact CD1-CG 3.89Å; L175-P234 HydrophobicContact CG-CG 3.97Å; T232-P234 WeakPolarHBondContact O-CD 3.24Å; P234-A237 PolarHBondContact O-N 3.41Å
235	Q	94.5	Very high	95.3	Very high	141 Å²	141	58.1 Å²	58.1	66%	0.659	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-24.9	-177.2	-64.8	71.9	16.6	0	0	112.9	H233	H233-Q235 VanDerWaalsContact C-N 3.31Å; H233-Q235 PolarHBondContact O-N 2.74Å
236	Q	91.4	Very high	95.9	Very high	78 Å²	78	54.8 Å²	54.8	36%	0.364	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-11.3	175.5	-78.4	-169.9	-10.7	0	0	111.8	C166 T169 H233 L238	C166-Q236 PolarHBondContact O-OE1 2.73Å; T169-Q236 VanDerWaalsContact CG2-CD 3.47Å; T169-Q236 HydrophobicContact CG2-CG 4.36Å; H233-Q236 HydrophobicContact CB-CB 4.26Å; H233-Q236 WeakPolarHBondContact ND1-CB 3.48Å; H233-Q236 WeakPolarHBondContact ND1-CG 3.37Å; H233-Q236 PolarHBondContact ND1-N 3.04Å; H233-Q236 VanDerWaalsContact ND1-N 3.12Å; H233-Q236 PolarHBondContact O-N 2.71Å; H233-Q236 VanDerWaalsContact O-N 3.12Å; Q236-L238 HydrophobicContact CB-CB 4.23Å; Q236-L238 PolarHBondContact O-N 2.71Å
237	A	94	Very high	96	Very high	93 Å²	93	51.6 Å²	51.6	77%	0.769	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	35.1	-171.2	0	0	0	0	0	112.8	H233 P234	H233-A237 PolarHBondContact O-N 3.16Å; H233-A237 VanDerWaalsContact O-N 3.09Å; P234-A237 PolarHBondContact O-N 3.41Å
238	L	96.2	Very high	95.9	Very high	29 Å²	29	52.1 Å²	52.1	15%	0.152	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	132.9	178.8	-179.7	61.8	0	0	0	109.7	C39 C166 N167 T232 H233 Q236	C39-L238 HydrophobicContact CB-CD2 4.15Å; C166-L238 HydrophobicContact CB-CB 4.36Å; C166-L238 HydrophobicContact CB-CD2 4.01Å; C166-L238 HydrophobicContact CB-CG 4.2Å; C166-L238 PolarHBondContact SG-O 2.93Å; N167-L238 HydrophobicContact CB-CD2 3.83Å; T232-L238 WeakPolarHBondContact CA-O 3.48Å; H233-L238 PolarHBondContact N-O 3.24Å; Q236-L238 HydrophobicContact CB-CB 4.23Å; Q236-L238 PolarHBondContact O-N 2.71Å
239	S	97.7	Very high	95.9	Very high	68 Å²	68	47.3 Å²	47.3	48%	0.476	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	143.6	173	-61.9	0	0	0	0	110.3	I231 T232	I231-S239 CarbonylContact O-C 3.58Å; I231-S239 WeakPolarHBondContact O-CA 3.32Å; T232-S239 WeakPolarHBondContact CG2-OG 3.33Å; T232-S239 PolarHBondContact OG1-OG 3.29Å
240	V	98.3	Very high	95.9	Very high	10 Å²	10	47.5 Å²	47.5	6%	0.061	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	132.1	171.1	-172.9	0	0	0	0	108	L41 L164 T165 T230 I231	L41-V240 HydrophobicContact CB-CG1 4.27Å; L41-V240 HydrophobicContact CB-CG2 4.42Å; L41-V240 HydrophobicContact CD2-CG2 3.82Å; L164-V240 HydrophobicContact CD2-CG1 4.44Å; T165-V240 VanDerWaalsContact O-CG2 3.28Å; T165-V240 WeakPolarHBondContact O-CG2 3.31Å; T230-V240 WeakPolarHBondContact CA-O 3.5Å; I231-V240 HydrophobicContact CD1-CB 4.14Å; I231-V240 HydrophobicContact CD1-CG2 4.38Å; I231-V240 HydrophobicContact CG1-CB 3.77Å; I231-V240 HydrophobicContact CG1-CG2 4.33Å; I231-V240 PolarHBondContact N-O 2.94Å; I231-V240 PolarHBondContact O-N 3.37Å
241	S	98.1	Very high	95.9	Very high	65 Å²	65	45.7 Å²	45.7	46%	0.455	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	151.6	173.6	69.4	0	0	0	0	112.2	E228 M229	E228-S241 WeakPolarHBondContact OE1-CB 3.48Å; E228-S241 PolarHBondContact OE1-OG 3.24Å; M229-S241 WeakPolarHBondContact O-CA 3.49Å; M229-S241 WeakPolarHBondContact O-CB 3.44Å
242	L	98.1	Very high	95.9	Very high	27 Å²	27	46.5 Å²	46.5	14%	0.141	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	127.4	172.2	-179.6	156.2	0	0	0	107.9	P162 L164 W227 E228 M229 P266	P162-L242 HydrophobicContact CG-CD1 4.1Å; L164-L242 HydrophobicContact CD1-CB 3.96Å; L164-L242 HydrophobicContact CD1-CD1 4.19Å; L164-L242 HydrophobicContact CD2-CD1 4.39Å; W227-L242 HydrophobicContact CH2-CD2 3.6Å; W227-L242 HydrophobicContact CZ3-CD2 3.69Å; E228-L242 WeakPolarHBondContact CA-O 3.24Å; M229-L242 HydrophobicContact CG-CB 3.85Å; M229-L242 PolarHBondContact N-O 2.95Å; M229-L242 PolarHBondContact O-N 3.42Å; M229-L242 VanDerWaalsContact O-N 3.09Å; M229-L242 HydrophobicContact SD-CB 4.27Å; L242-P266 HydrophobicContact CD1-CG 4.47Å; L242-P266 HydrophobicContact CD2-CG 3.68Å
243	C	97.5	Very high	95.9	Very high	80 Å²	80	44.9 Å²	44.9	54%	0.541	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	144.1	174.1	-55.3	0	0	0	0	110.2	W227	W227-C243 VanDerWaalsContact O-CA 3.23Å; W227-C243 WeakPolarHBondContact O-CA 3.1Å
244	S	95.6	Very high	95.8	Very high	15 Å²	15	44.4 Å²	44.4	11%	0.105	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	154.9	174.2	-172.5	0	0	0	0	111.8	L226 W227 Q246 P266	L226-S244 WeakPolarHBondContact CA-O 3.32Å; W227-S244 VanDerWaalsContact CZ2-CB 3.47Å; W227-S244 PolarHBondContact N-O 3.49Å; W227-S244 PolarHBondContact O-N 3.37Å; S244-Q246 WeakPolarHBondContact OG-CG 3.48Å; S244-Q246 PolarHBondContact OG-N 3.13Å; S244-Q246 VanDerWaalsContact OG-N 3.15Å; S244-P266 VanDerWaalsContact OG-CB 3.28Å; S244-P266 WeakPolarHBondContact OG-CB 3.47Å
245	D	90.2	Very high	95.8	Very high	111 Å²	111	44.6 Å²	44.6	59%	0.594	25%	0.254	S	S	*	.			trans	-98	7.8	171.9	62.9	-10.1	0	0	0	112.9	D225	D225-D245 CarbonylContact O-C 3.6Å; D225-D245 WeakPolarHBondContact O-CA 3.28Å
246	Q	92.3	Very high	95.8	Very high	54 Å²	54	44.2 Å²	44.2	25%	0.252	25%	0.251	S	S	.	.			trans	-95.3	130.6	-177	-57.5	-55.9	-55.1	0	0	111.6	W227 S244 W248 P266 S268	W227-Q246 PolarHBondContact NE1-O 3.04Å; S244-Q246 WeakPolarHBondContact OG-CG 3.48Å; S244-Q246 PolarHBondContact OG-N 3.13Å; S244-Q246 VanDerWaalsContact OG-N 3.15Å; Q246-W248 VanDerWaalsContact C-N 3.31Å; Q246-W248 PolarHBondContact O-N 3.17Å; Q246-P266 HydrophobicContact CB-CB 4.1Å; Q246-P266 HydrophobicContact CG-CB 4.23Å; Q246-S268 VanDerWaalsContact OE1-CB 3.24Å
247	L	91	Very high	96	Very high	59 Å²	59	41.5 Å²	41.5	31%	0.309	24%	0.238	S	C	.	.	S	Bend	trans	-66.3	-27.7	-173.8	-177.4	60.5	0	0	0	114.7	K221 T222	K221-L247 HydrophobicContact CG-CD1 4Å; K221-L247 HydrophobicContact CG-CG 4Å; T222-L247 PolarHBondContact N-O 2.99Å; T222-L247 PolarHBondContact OG1-O 3.48Å
248	W	94.5	Very high	96.1	Very high	22 Å²	22	44.6 Å²	44.6	8%	0.083	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	143	-176.2	-56.9	94.6	0	0	0	110.8	Y184 L195 T219 K221 Q246 M267 P270	Y184-W248 AromaticContact CD2-CZ3 3.95Å; Y184-W248 HydrophobicContact CD2-CZ3 3.95Å; Y184-W248 HydrophobicContact CE2-CE3 4.04Å; Y184-W248 AromaticContact CE2-CH2 3.64Å; Y184-W248 HydrophobicContact CE2-CH2 3.64Å; Y184-W248 AromaticContact CE2-CZ3 3.25Å; Y184-W248 HydrophobicContact CE2-CZ3 3.25Å; Y184-W248 AromaticContact CZ-CH2 3.97Å; L195-W248 HydrophobicContact CD1-CZ3 4.18Å; T219-W248 HydrophobicContact CG2-CB 4.41Å; T219-W248 HydrophobicContact CG2-CE3 3.89Å; K221-W248 HydrophobicContact CB-CE3 3.85Å; K221-W248 HydrophobicContact CB-CH2 4.28Å; K221-W248 HydrophobicContact CB-CZ3 3.62Å; K221-W248 HydrophobicContact CD-CH2 3.85Å; K221-W248 HydrophobicContact CD-CZ2 4.29Å; K221-W248 HydrophobicContact CD-CZ3 4.07Å; K221-W248 HydrophobicContact CG-CD2 4.49Å; K221-W248 HydrophobicContact CG-CE3 4.1Å; K221-W248 HydrophobicContact CG-CH2 4.12Å; K221-W248 HydrophobicContact CG-CZ2 4.47Å; K221-W248 HydrophobicContact CG-CZ3 3.9Å; Q246-W248 VanDerWaalsContact C-N 3.31Å; Q246-W248 PolarHBondContact O-N 3.17Å; W248-M267 HydrophobicContact CB-CB 4.15Å; W248-M267 HydrophobicContact CB-CE 4.33Å; W248-M267 WeakPolarHBondContact CB-O 3.39Å; W248-M267 PolarHBondContact N-O 3.33Å; W248-M267 PolarHBondContact O-N 2.77Å; W248-P270 HydrophobicContact CD2-CB 3.83Å; W248-P270 HydrophobicContact CD2-CG 4.39Å; W248-P270 HydrophobicContact CE3-CB 3.98Å; W248-P270 HydrophobicContact CG-CB 4.36Å; W248-P270 HydrophobicContact CH2-CB 4.19Å; W248-P270 HydrophobicContact CH2-CG 4.45Å; W248-P270 HydrophobicContact CZ2-CB 4.07Å; W248-P270 HydrophobicContact CZ2-CG 3.97Å; W248-P270 HydrophobicContact CZ3-CB 4.16Å
249	V	97.7	Very high	96.2	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	122.9	177.2	60.2	0	0	0	0	110.9	L178 T219 F220 T222 W227 V251 V264 E265	L178-V249 HydrophobicContact CD1-CG1 4.06Å; L178-V249 HydrophobicContact CD2-CG1 3.91Å; T219-V249 CarbonylContact C-O 3.53Å; T219-V249 WeakPolarHBondContact CA-O 3.24Å; F220-V249 HydrophobicContact CB-CG1 3.76Å; F220-V249 PolarHBondContact N-O 2.83Å; F220-V249 PolarHBondContact O-N 3.34Å; T222-V249 HydrophobicContact CG2-CG1 4.03Å; W227-V249 HydrophobicContact CH2-CB 4.12Å; W227-V249 HydrophobicContact CH2-CG2 3.79Å; W227-V249 HydrophobicContact CZ2-CB 3.94Å; W227-V249 HydrophobicContact CZ2-CG2 4.12Å; V249-V251 HydrophobicContact CG2-CG2 4.42Å; V249-V264 HydrophobicContact CG2-CG1 3.57Å; V249-E265 CarbonylContact C-O 3.54Å; V249-E265 VanDerWaalsContact CA-O 3.28Å; V249-E265 WeakPolarHBondContact CA-O 3.22Å
250	Q	98	Very high	96.1	Very high	3 Å²	3	45.4 Å²	45.4	1%	0.014	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	131.8	168.4	-172.6	70.9	17.1	0	0	108.3	N64 D217 T219 V264 E265 M267	N64-Q250 PolarHBondContact ND2-OE1 3.08Å; D217-Q250 PolarHBondContact O-NE2 2.82Å; D217-Q250 PolarHBondContact OD1-NE2 2.89Å; T219-Q250 PolarHBondContact OG1-OE1 2.98Å; Q250-V264 WeakPolarHBondContact O-CA 3.48Å; Q250-E265 HydrophobicContact CB-CB 3.95Å; Q250-E265 HydrophobicContact CB-CG 4.15Å; Q250-E265 PolarHBondContact N-O 2.93Å; Q250-E265 PolarHBondContact O-N 3.14Å; Q250-M267 HydrophobicContact CB-CE 3.92Å; Q250-M267 HydrophobicContact CB-SD 4.2Å
251	V	98.3	Very high	96	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	123.6	168.2	-176.9	0	0	0	0	108.4	F176 L178 I216 D217 H218 F220 V249 L262 A263	F176-V251 HydrophobicContact CE1-CG1 4.1Å; F176-V251 HydrophobicContact CE1-CG2 4.46Å; F176-V251 HydrophobicContact CZ-CG1 4.08Å; F176-V251 HydrophobicContact CZ-CG2 3.99Å; L178-V251 HydrophobicContact CD2-CG2 3.94Å; I216-V251 CarbonylContact C-O 3.58Å; I216-V251 HydrophobicContact CB-CG1 4.42Å; I216-V251 HydrophobicContact CD1-CG1 4.38Å; I216-V251 HydrophobicContact CG2-CB 3.96Å; I216-V251 HydrophobicContact CG2-CG1 3.91Å; I216-V251 WeakPolarHBondContact CG2-O 3.29Å; D217-V251 WeakPolarHBondContact CA-O 3.46Å; H218-V251 PolarHBondContact N-O 3.16Å; H218-V251 VanDerWaalsContact N-O 3.11Å; H218-V251 PolarHBondContact O-N 2.77Å; F220-V251 HydrophobicContact CD2-CB 4.13Å; F220-V251 HydrophobicContact CD2-CG2 3.77Å; F220-V251 HydrophobicContact CE2-CB 3.82Å; F220-V251 HydrophobicContact CE2-CG2 3.88Å; V249-V251 HydrophobicContact CG2-CG2 4.42Å; V251-L262 HydrophobicContact CG1-CD1 3.67Å; V251-L262 HydrophobicContact CG1-CD2 4.21Å; V251-L262 HydrophobicContact CG1-CG 4.03Å; V251-A263 CarbonylContact C-O 3.55Å; V251-A263 WeakPolarHBondContact CA-O 3.04Å
252	Y	97.9	Very high	96	Very high	18 Å²	18	41.8 Å²	41.8	7%	0.071	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	121.1	177.9	173.4	-123.9	0	0	0	111.1	Y163 I216 D217 G254 E255 K256 A263	Y163-Y252 AromaticContact CE1-CD1 3.83Å; Y163-Y252 HydrophobicContact CE1-CD1 3.83Å; Y163-Y252 HydrophobicContact CE1-CE1 4.1Å; Y163-Y252 WeakPolarHBondContact OH-CD1 3.2Å; I216-Y252 CarbonylContact O-C 3.56Å; I216-Y252 VanDerWaalsContact O-CA 3.25Å; I216-Y252 WeakPolarHBondContact O-CA 3.25Å; I216-Y252 WeakPolarHBondContact O-CD2 3.34Å; D217-Y252 HydrophobicContact CB-CD2 3.83Å; D217-Y252 HydrophobicContact CB-CE2 4.39Å; Y252-G254 VanDerWaalsContact CE1-CA 3.43Å; Y252-G254 PolarHBondContact O-N 3.28Å; Y252-G254 VanDerWaalsContact O-N 3.1Å; Y252-E255 WeakPolarHBondContact CE2-OE2 3.37Å; Y252-E255 WeakPolarHBondContact OH-CB 3.43Å; Y252-E255 PolarHBondContact OH-N 2.93Å; Y252-E255 VanDerWaalsContact OH-N 3.08Å; Y252-K256 WeakPolarHBondContact OH-CG 3.33Å; Y252-K256 PolarHBondContact OH-N 3.17Å; Y252-A263 HydrophobicContact CD1-CB 4.14Å; Y252-A263 HydrophobicContact CG-CB 4.49Å; Y252-A263 PolarHBondContact N-O 2.82Å; Y252-A263 PolarHBondContact O-N 3.46Å
253	S	97.8	Very high	96	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.2	C	C	.	.			trans	-74.2	3.6	-176.3	48.8	0	0	0	0	115	I216 E255 R259	I216-S253 PolarHBondContact N-OG 2.9Å; I216-S253 PolarHBondContact O-N 3.16Å; I216-S253 PolarHBondContact O-OG 2.96Å; S253-E255 VanDerWaalsContact OG-CD 3.29Å; S253-E255 PolarHBondContact OG-OE1 2.96Å; S253-E255 PolarHBondContact OG-OE2 2.87Å; S253-R259 WeakPolarHBondContact O-CG 3.29Å; S253-R259 PolarHBondContact OG-NH1 3.07Å
254	G	97.1	Very high	96.1	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.174	C	C	.	.			trans	80.6	30.3	163.8	0	0	0	0	0	114.6	Y252 K256 L257 Q258 R259	Y252-G254 VanDerWaalsContact CE1-CA 3.43Å; Y252-G254 PolarHBondContact O-N 3.28Å; Y252-G254 VanDerWaalsContact O-N 3.1Å; G254-K256 PolarHBondContact O-N 3.15Å; G254-L257 CarbonylContact O-C 3.45Å; G254-L257 VanDerWaalsContact O-C 3.23Å; G254-L257 WeakPolarHBondContact O-CA 3.47Å; G254-L257 PolarHBondContact O-N 2.79Å; G254-Q258 PolarHBondContact O-N 3.45Å; G254-R259 PolarHBondContact O-N 3.44Å
255	E	96.2	Very high	96.2	Very high	63 Å²	63	36.2 Å²	36.2	29%	0.294	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-52.9	-38.3	-180	-73.6	62.8	-143	0	0	112.8	Y252 S253 L257 Q258 R259	Y252-E255 WeakPolarHBondContact CE2-OE2 3.37Å; Y252-E255 WeakPolarHBondContact OH-CB 3.43Å; Y252-E255 PolarHBondContact OH-N 2.93Å; Y252-E255 VanDerWaalsContact OH-N 3.08Å; S253-E255 VanDerWaalsContact OG-CD 3.29Å; S253-E255 PolarHBondContact OG-OE1 2.96Å; S253-E255 PolarHBondContact OG-OE2 2.87Å; E255-L257 PolarHBondContact O-N 3.2Å; E255-Q258 PolarHBondContact O-N 2.56Å; E255-R259 IonicContact OE1-CZ 3.23Å; E255-R259 IonicContact OE1-NH1 2.76Å; E255-R259 PolarHBondContact OE1-NH1 2.67Å
256	K	93.6	Very high	96.5	Very high	134 Å²	134	31.5 Å²	31.5	58%	0.583	15%	0.145	S	C	*	.	G	3₁₀ helix	trans	-64.2	-21.2	176.1	-72.9	172.9	-175.1	170.4	0	113	A53 Y252 G254	A53-K256 HydrophobicContact CB-CB 4.2Å; A53-K256 HydrophobicContact CB-CD 4.24Å; Y252-K256 WeakPolarHBondContact OH-CG 3.33Å; Y252-K256 PolarHBondContact OH-N 3.17Å; G254-K256 PolarHBondContact O-N 3.15Å
257	L	95.6	Very high	96.7	Very high	21 Å²	21	28.9 Å²	28.9	11%	0.11	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-115.9	28.4	179.9	-57.5	-179.5	0	0	0	111.4	I43 L52 A53 L55 Y163 G254 E255 R259 Q260	I43-L257 HydrophobicContact CD1-CB 4.32Å; I43-L257 HydrophobicContact CD1-CD1 3.79Å; L52-L257 HydrophobicContact CB-CD2 3.93Å; A53-L257 HydrophobicContact CB-CD1 4.39Å; A53-L257 HydrophobicContact CB-CD2 4.33Å; A53-L257 HydrophobicContact CB-CG 4.25Å; L55-L257 HydrophobicContact CD1-CD1 3.93Å; L55-L257 HydrophobicContact CD1-CD2 4.21Å; L55-L257 HydrophobicContact CD2-CD1 3.68Å; L55-L257 HydrophobicContact CG-CD1 3.85Å; Y163-L257 HydrophobicContact CD1-CD1 3.67Å; Y163-L257 HydrophobicContact CD2-CD1 4.23Å; Y163-L257 HydrophobicContact CE1-CD1 3.57Å; Y163-L257 HydrophobicContact CE1-CG 4.38Å; Y163-L257 HydrophobicContact CE2-CD1 4.11Å; Y163-L257 HydrophobicContact CG-CD1 3.99Å; G254-L257 CarbonylContact O-C 3.45Å; G254-L257 VanDerWaalsContact O-C 3.23Å; G254-L257 WeakPolarHBondContact O-CA 3.47Å; G254-L257 PolarHBondContact O-N 2.79Å; E255-L257 PolarHBondContact O-N 3.2Å; L257-R259 PolarHBondContact O-N 3.47Å; L257-Q260 PolarHBondContact O-N 3.19Å
258	Q	96.3	Very high	96.8	Very high	158 Å²	158	28.2 Å²	28.2	74%	0.738	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.1	30.6	177.2	-54.6	177.9	6.5	0	0	113.3	G254 E255 Q260	G254-Q258 PolarHBondContact O-N 3.45Å; E255-Q258 PolarHBondContact O-N 2.56Å; Q258-Q260 PolarHBondContact O-N 3.09Å
259	R	97.5	Very high	96.6	Very high	32 Å²	32	27.9 Å²	27.9	12%	0.121	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	33.6	178.2	-55.4	176	59.1	91.7	-3	113.2	V171 D172 A212 T214 S253 G254 E255 L257 G261	V171-R259 HydrophobicContact CB-CB 4.2Å; V171-R259 WeakPolarHBondContact CB-O 3.07Å; V171-R259 VanDerWaalsContact CG2-O 3.23Å; V171-R259 WeakPolarHBondContact CG2-O 3.45Å; V171-R259 PolarHBondContact N-O 2.95Å; D172-R259 IonicContact OD1-CZ 3.78Å; D172-R259 VanDerWaalsContact OD1-CZ 3.23Å; D172-R259 IonicContact OD1-NE 2.77Å; D172-R259 PolarHBondContact OD1-NE 2.93Å; D172-R259 IonicContact OD1-NH2 3.9Å; D172-R259 PolarHBondContact OD1-NH2 2.83Å; A212-R259 PolarHBondContact O-NH2 3.3Å; T214-R259 PolarHBondContact O-NH1 3.43Å; T214-R259 PolarHBondContact O-NH2 2.81Å; S253-R259 WeakPolarHBondContact O-CG 3.29Å; S253-R259 PolarHBondContact OG-NH1 3.07Å; G254-R259 PolarHBondContact O-N 3.44Å; E255-R259 IonicContact OE1-CZ 3.23Å; E255-R259 IonicContact OE1-NH1 2.76Å; E255-R259 PolarHBondContact OE1-NH1 2.67Å; L257-R259 PolarHBondContact O-N 3.47Å; R259-G261 VanDerWaalsContact C-N 3.27Å
260	Q	96.2	Very high	96.3	Very high	81 Å²	81	28.2 Å²	28.2	38%	0.379	14%	0.136	S	C	.	.	S	Bend	trans	-78.9	-9.2	175.3	-68.8	-177.4	-1.8	0	0	113.9	I43 T165 L257 Q258	I43-Q260 HydrophobicContact CD1-CB 4.18Å; T165-Q260 PolarHBondContact OG1-O 2.9Å; L257-Q260 PolarHBondContact O-N 3.19Å; Q258-Q260 PolarHBondContact O-N 3.09Å
261	G	97.1	Very high	96.1	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.136	C	C	.	.	S	Bend	trans	-166.1	154.4	177.5	0	0	0	0	0	111.2	L164 V171 R259	L164-G261 CarbonylContact O-C 3.52Å; L164-G261 WeakPolarHBondContact O-CA 3.39Å; V171-G261 WeakPolarHBondContact CG2-O 3.27Å; R259-G261 VanDerWaalsContact C-N 3.27Å
262	L	98.4	Very high	95.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	114.4	-178.2	-173.1	70.2	0	0	0	107.8	Y163 L164 V171 F176 I211 I231 V251 V264	Y163-L262 CarbonylContact C-O 3.58Å; L164-L262 PolarHBondContact N-O 2.9Å; L164-L262 PolarHBondContact O-N 2.82Å; V171-L262 HydrophobicContact CG1-CD1 4.21Å; V171-L262 HydrophobicContact CG2-CB 4.22Å; F176-L262 HydrophobicContact CD1-CD2 4.44Å; F176-L262 HydrophobicContact CD2-CD2 3.73Å; F176-L262 HydrophobicContact CE1-CD2 4.47Å; F176-L262 HydrophobicContact CE2-CD2 3.75Å; F176-L262 HydrophobicContact CG-CD2 4.1Å; F176-L262 HydrophobicContact CZ-CD2 4.13Å; I211-L262 HydrophobicContact CD1-CD1 3.96Å; I211-L262 HydrophobicContact CD1-CD2 3.97Å; I231-L262 HydrophobicContact CG2-CD2 3.72Å; V251-L262 HydrophobicContact CG1-CD1 3.67Å; V251-L262 HydrophobicContact CG1-CD2 4.21Å; V251-L262 HydrophobicContact CG1-CG 4.03Å; L262-V264 HydrophobicContact CD2-CG2 3.77Å; L262-V264 HydrophobicContact CG-CG2 3.81Å; L262-V264 PolarHBondContact O-N 2.79Å
263	A	98.4	Very high	95.5	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	124.1	168.5	0	0	0	0	0	108.9	P162 Y163 V251 Y252 E265	P162-A263 VanDerWaalsContact O-CA 3.29Å; P162-A263 WeakPolarHBondContact O-CA 3.45Å; Y163-A263 HydrophobicContact CD1-CB 3.66Å; Y163-A263 HydrophobicContact CD2-CB 4.15Å; Y163-A263 HydrophobicContact CE1-CB 3.52Å; Y163-A263 HydrophobicContact CE2-CB 4.06Å; Y163-A263 HydrophobicContact CG-CB 4Å; V251-A263 CarbonylContact C-O 3.55Å; V251-A263 WeakPolarHBondContact CA-O 3.04Å; Y252-A263 HydrophobicContact CD1-CB 4.14Å; Y252-A263 HydrophobicContact CG-CB 4.49Å; Y252-A263 PolarHBondContact N-O 2.82Å; Y252-A263 PolarHBondContact O-N 3.46Å; A263-E265 HydrophobicContact CB-CG 4.45Å
264	V	98.4	Very high	95	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	105.9	175.6	-177.7	0	0	0	0	106.6	P162 L164 M229 V249 Q250 L262 P266	P162-V264 WeakPolarHBondContact CD-O 3.47Å; P162-V264 VanDerWaalsContact CG-O 3.27Å; P162-V264 WeakPolarHBondContact CG-O 3.48Å; P162-V264 PolarHBondContact O-N 3.49Å; L164-V264 HydrophobicContact CD1-CB 4.18Å; L164-V264 HydrophobicContact CD1-CG2 4.19Å; M229-V264 HydrophobicContact CG-CG1 4.08Å; M229-V264 HydrophobicContact SD-CB 3.95Å; M229-V264 HydrophobicContact SD-CG1 3.69Å; M229-V264 HydrophobicContact SD-CG2 3.64Å; V249-V264 HydrophobicContact CG2-CG1 3.57Å; Q250-V264 WeakPolarHBondContact O-CA 3.48Å; L262-V264 HydrophobicContact CD2-CG2 3.77Å; L262-V264 HydrophobicContact CG-CG2 3.81Å; L262-V264 PolarHBondContact O-N 2.79Å; V264-P266 VanDerWaalsContact O-CD 3.32Å; V264-P266 WeakPolarHBondContact O-CD 3.23Å
265	E	98.3	Very high	94.6	Very high	5 Å²	5	34.4 Å²	34.4	2%	0.023	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	98.2	-165.9	-42.5	173	-137.5	0	0	108.7	H92 I160 H161 V249 Q250 A263 M267	H92-E265 IonicContact CE1-OE2 3.93Å; I160-E265 VanDerWaalsContact O-CA 3.31Å; I160-E265 WeakPolarHBondContact O-CA 3.38Å; I160-E265 VanDerWaalsContact O-CB 3.25Å; I160-E265 WeakPolarHBondContact O-CB 3.32Å; H161-E265 IonicContact CD2-OE1 3.69Å; H161-E265 IonicContact CD2-OE2 3.44Å; H161-E265 PolarHBondContact CD2-OE2 3.4Å; H161-E265 IonicContact CE1-OE1 3.44Å; H161-E265 PolarHBondContact CE1-OE1 3.42Å; H161-E265 VanDerWaalsContact CE1-OE1 3.29Å; H161-E265 IonicContact CG-OE2 3.29Å; H161-E265 IonicContact ND1-OE1 3.33Å; H161-E265 IonicContact NE2-OE1 3.2Å; H161-E265 PolarHBondContact NE2-OE1 3.3Å; H161-E265 IonicContact NE2-OE2 3.82Å; V249-E265 CarbonylContact C-O 3.54Å; V249-E265 VanDerWaalsContact CA-O 3.28Å; V249-E265 WeakPolarHBondContact CA-O 3.22Å; Q250-E265 HydrophobicContact CB-CB 3.95Å; Q250-E265 HydrophobicContact CB-CG 4.15Å; Q250-E265 PolarHBondContact N-O 2.93Å; Q250-E265 PolarHBondContact O-N 3.14Å; A263-E265 HydrophobicContact CB-CG 4.45Å; E265-M267 WeakPolarHBondContact O-CG 3.2Å; E265-M267 PolarHBondContact O-N 3.39Å
266	P	96.9	Very high	93.4	Very high	11 Å²	11	33.7 Å²	33.7	7%	0.071	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	135.9	167.2	-20.4	31.2	0	0	0	110.6	G159 W227 L242 S244 Q246 V264	G159-P266 WeakPolarHBondContact CA-O 3.18Å; W227-P266 HydrophobicContact CH2-CG 4.04Å; W227-P266 HydrophobicContact CZ2-CB 4.23Å; W227-P266 HydrophobicContact CZ2-CG 4.19Å; L242-P266 HydrophobicContact CD1-CG 4.47Å; L242-P266 HydrophobicContact CD2-CG 3.68Å; S244-P266 VanDerWaalsContact OG-CB 3.28Å; S244-P266 WeakPolarHBondContact OG-CB 3.47Å; Q246-P266 HydrophobicContact CB-CB 4.1Å; Q246-P266 HydrophobicContact CG-CB 4.23Å; V264-P266 VanDerWaalsContact O-CD 3.32Å; V264-P266 WeakPolarHBondContact O-CD 3.23Å
267	M	95.9	Very high	91.8	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	136	-175.6	-62.4	-175.2	-57.4	0	0	110.9	P63 N64 V158 T219 W248 Q250 E265 C269 P271	P63-M267 HydrophobicContact CB-CB 4.27Å; P63-M267 HydrophobicContact CB-CG 3.66Å; P63-M267 HydrophobicContact CB-SD 3.6Å; P63-M267 VanDerWaalsContact CB-SD 3.6Å; P63-M267 HydrophobicContact CG-CB 3.8Å; P63-M267 HydrophobicContact CG-CG 3.75Å; P63-M267 HydrophobicContact CG-SD 3.77Å; N64-M267 HydrophobicContact CB-SD 4.05Å; V158-M267 CarbonylContact O-C 2.93Å; V158-M267 WeakPolarHBondContact O-CA 3.3Å; T219-M267 HydrophobicContact CG2-CE 3.72Å; W248-M267 HydrophobicContact CB-CB 4.15Å; W248-M267 HydrophobicContact CB-CE 4.33Å; W248-M267 WeakPolarHBondContact CB-O 3.39Å; W248-M267 PolarHBondContact N-O 3.33Å; W248-M267 PolarHBondContact O-N 2.77Å; Q250-M267 HydrophobicContact CB-CE 3.92Å; Q250-M267 HydrophobicContact CB-SD 4.2Å; E265-M267 WeakPolarHBondContact O-CG 3.2Å; E265-M267 PolarHBondContact O-N 3.39Å; M267-C269 WeakPolarHBondContact CB-O 3.15Å; M267-C269 PolarHBondContact O-N 3.27Å; M267-P271 HydrophobicContact CE-CG 4.49Å
268	S	92.2	Very high	89.8	Confident	44 Å²	44	32.8 Å²	32.8	31%	0.308	19%	0.186	S	C	.	.	S	Bend	trans	-72.6	-13.5	177.3	73.7	0	0	0	0	113.6	G157 V158 Q246	G157-S268 WeakPolarHBondContact CA-OG 3.34Å; V158-S268 PolarHBondContact N-OG 3.39Å; V158-S268 PolarHBondContact O-N 3.38Å; Q246-S268 VanDerWaalsContact OE1-CB 3.24Å
269	C	90.8	Very high	87.5	Confident	15 Å²	15	28 Å²	28	10%	0.101	17%	0.173	C	C	.	.	S	Bend	trans	-149.6	159.3	-178.8	66	0	0	0	0	110.3	M267 A273	M267-C269 WeakPolarHBondContact CB-O 3.15Å; M267-C269 PolarHBondContact O-N 3.27Å; C269-A273 HydrophobicContact CB-CB 3.69Å
270	P	92.4	Very high	85.2	Confident	7 Å²	7	32 Å²	32	5%	0.045	20%	0.197	C	C	.	.			trans	-73.2	165.6	176.3	31.6	-32.6	0	0	0	110.7	Y184 W248 A273 I278	Y184-P270 HydrophobicContact CE2-CB 3.72Å; W248-P270 HydrophobicContact CD2-CB 3.83Å; W248-P270 HydrophobicContact CD2-CG 4.39Å; W248-P270 HydrophobicContact CE3-CB 3.98Å; W248-P270 HydrophobicContact CG-CB 4.36Å; W248-P270 HydrophobicContact CH2-CB 4.19Å; W248-P270 HydrophobicContact CH2-CG 4.45Å; W248-P270 HydrophobicContact CZ2-CB 4.07Å; W248-P270 HydrophobicContact CZ2-CG 3.97Å; W248-P270 HydrophobicContact CZ3-CB 4.16Å; P270-A273 VanDerWaalsContact O-CB 3.29Å; P270-A273 WeakPolarHBondContact O-CB 3.46Å; P270-A273 PolarHBondContact O-N 2.94Å; P270-I278 HydrophobicContact CG-CD1 3.72Å
271	P	93.2	Very high	82.6	Confident	3 Å²	3	33 Å²	33	2%	0.019	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	150	171.1	-15.5	24.1	0	0	0	111.3	N64 P192 T219 M267 A273	N64-P271 HydrophobicContact CB-CB 3.77Å; N64-P271 HydrophobicContact CB-CG 3.91Å; N64-P271 WeakPolarHBondContact OD1-CB 3.46Å; P192-P271 HydrophobicContact CG-CB 3.76Å; P192-P271 HydrophobicContact CG-CG 4.13Å; T219-P271 HydrophobicContact CG2-CG 4.41Å; T219-P271 WeakPolarHBondContact OG1-CD 3.32Å; T219-P271 WeakPolarHBondContact OG1-CG 3.49Å; M267-P271 HydrophobicContact CE-CG 4.49Å; P271-A273 PolarHBondContact O-N 2.91Å; P271-A273 VanDerWaalsContact O-N 3.16Å
272	N	92.6	Very high	80.3	Confident	29 Å²	29	37.8 Å²	37.8	16%	0.155	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	24.9	-178.1	-158.6	38.2	0	0	0	113.3	R65 A67 F274 N275 S276	R65-N272 WeakPolarHBondContact O-CA 3.18Å; R65-N272 PolarHBondContact O-N 3.49Å; A67-N272 PolarHBondContact N-OD1 2.83Å; N272-F274 PolarHBondContact O-N 3.32Å; N272-F274 VanDerWaalsContact O-N 3.09Å; N272-N275 PolarHBondContact O-N 3.28Å; N272-N275 PolarHBondContact OD1-ND2 3.19Å; N272-S276 PolarHBondContact O-N 3.14Å
273	A	89.7	Confident	78.2	Confident	25 Å²	25	43 Å²	43	21%	0.207	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-49.1	-39.7	-178.7	0	0	0	0	0	113	C269 P270 P271 N275 S276	C269-A273 HydrophobicContact CB-CB 3.69Å; P270-A273 VanDerWaalsContact O-CB 3.29Å; P270-A273 WeakPolarHBondContact O-CB 3.46Å; P270-A273 PolarHBondContact O-N 2.94Å; P271-A273 PolarHBondContact O-N 2.91Å; P271-A273 VanDerWaalsContact O-N 3.16Å; A273-N275 PolarHBondContact O-N 3.5Å; A273-S276 WeakPolarHBondContact CA-OG 3.32Å; A273-S276 PolarHBondContact O-N 3.02Å; A273-S276 VanDerWaalsContact O-N 3.14Å; A273-S276 PolarHBondContact O-OG 3.22Å
274	F	88.9	Confident	75.7	Confident	27 Å²	27	47.8 Å²	47.8	12%	0.118	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-61.8	-15.4	-179.9	-68.3	12.3	0	0	0	113.6	P61 W62 I66 Y71 Y122 P155 N272	P61-F274 WeakPolarHBondContact O-CZ 3.14Å; W62-F274 HydrophobicContact CB-CE1 4.2Å; W62-F274 HydrophobicContact CB-CZ 4.05Å; W62-F274 HydrophobicContact CE3-CE2 4Å; W62-F274 HydrophobicContact CE3-CZ 4.19Å; I66-F274 HydrophobicContact CD1-CB 4.39Å; I66-F274 HydrophobicContact CD1-CD2 3.37Å; I66-F274 HydrophobicContact CD1-CE2 3.71Å; I66-F274 HydrophobicContact CD1-CG 3.95Å; I66-F274 HydrophobicContact CG1-CD2 4.37Å; Y71-F274 HydrophobicContact CD1-CD2 4.18Å; Y71-F274 HydrophobicContact CD2-CB 4.25Å; Y71-F274 AromaticContact CD2-CD2 3.81Å; Y71-F274 HydrophobicContact CD2-CD2 3.81Å; Y71-F274 HydrophobicContact CD2-CG 4.43Å; Y71-F274 HydrophobicContact CE1-CD2 4.44Å; Y71-F274 HydrophobicContact CE2-CD2 4.09Å; Y71-F274 HydrophobicContact CG-CB 4.15Å; Y71-F274 AromaticContact CG-CD2 3.87Å; Y71-F274 HydrophobicContact CG-CD2 3.87Å; Y122-F274 HydrophobicContact CD2-CE2 4.47Å; Y122-F274 HydrophobicContact CE2-CE2 4.12Å; Y122-F274 HydrophobicContact CE2-CZ 4.33Å; P155-F274 HydrophobicContact CB-CD1 4.01Å; P155-F274 HydrophobicContact CB-CD2 4.22Å; P155-F274 HydrophobicContact CB-CE1 3.87Å; P155-F274 HydrophobicContact CB-CE2 4.08Å; P155-F274 HydrophobicContact CB-CG 4.21Å; P155-F274 HydrophobicContact CB-CZ 3.9Å; P155-F274 HydrophobicContact CG-CD2 4.27Å; P155-F274 HydrophobicContact CG-CE2 4.01Å; P155-F274 HydrophobicContact CG-CZ 4.2Å; P155-F274 WeakPolarHBondContact O-CZ 3.39Å; N272-F274 PolarHBondContact O-N 3.32Å; N272-F274 VanDerWaalsContact O-N 3.09Å
275	N	87.2	Confident	73.3	Confident	68 Å²	68	54.8 Å²	54.8	36%	0.364	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-119.2	-10.6	177.9	-68.7	-47.1	0	0	0	113.9	C70 Y71 N272 A273 G277	C70-N275 PolarHBondContact O-ND2 3.28Å; C70-N275 PolarHBondContact O-OD1 3.24Å; Y71-N275 VanDerWaalsContact CA-OD1 3.31Å; Y71-N275 WeakPolarHBondContact CA-OD1 3.31Å; N272-N275 PolarHBondContact O-N 3.28Å; N272-N275 PolarHBondContact OD1-ND2 3.19Å; A273-N275 PolarHBondContact O-N 3.5Å; N275-G277 PolarHBondContact O-N 3.33Å; N275-G277 VanDerWaalsContact O-N 3.16Å
276	S	71	Confident	70.8	Confident	47 Å²	47	55.4 Å²	55.4	33%	0.329	31%	0.31	S	S	.	.	S	Bend	trans	-70.3	-10.9	-170.1	66.6	0	0	0	0	114.6	N272 A273 I278	N272-S276 PolarHBondContact O-N 3.14Å; A273-S276 WeakPolarHBondContact CA-OG 3.32Å; A273-S276 PolarHBondContact O-N 3.02Å; A273-S276 VanDerWaalsContact O-N 3.14Å; A273-S276 PolarHBondContact O-OG 3.22Å; S276-I278 PolarHBondContact O-N 3.16Å
277	G	60.4	Low	68.4	Low	43 Å²	43	56.8 Å²	56.8	44%	0.443	32%	0.317	S	S	.	.			trans	62.6	10.2	-178.4	0	0	0	0	0	114	N275 A279	N275-G277 PolarHBondContact O-N 3.33Å; N275-G277 VanDerWaalsContact O-N 3.16Å; G277-A279 PolarHBondContact O-N 3.39Å; G277-A279 VanDerWaalsContact O-N 3.11Å
278	I	54.1	Low	66.4	Low	93 Å²	93	60.7 Å²	60.7	48%	0.477	33%	0.334	S	S	.	.			trans	-66.8	108.6	167	-62.8	169.3	0	0	0	105.4	P270 S276 D280	P270-I278 HydrophobicContact CG-CD1 3.72Å; S276-I278 PolarHBondContact O-N 3.16Å; I278-D280 PolarHBondContact O-N 2.98Å
279	A	47.4	Very low	64.6	Low	57 Å²	57	61.5 Å²	61.5	47%	0.471	34%	0.34	S	S	.	.			trans	-63.2	125.8	-169	0	0	0	0	0	111.3	G277 I281	G277-A279 PolarHBondContact O-N 3.39Å; G277-A279 VanDerWaalsContact O-N 3.11Å; A279-I281 HydrophobicContact CB-CG1 4.39Å; A279-I281 PolarHBondContact O-N 2.89Å
280	D	49.1	Very low	63	Low	116 Å²	116	65.1 Å²	65.1	62%	0.62	36%	0.357	S	S	*	.			trans	-69.7	103.8	154.8	-73.9	-37.5	0	0	0	107	I278 D282	I278-D280 PolarHBondContact O-N 2.98Å; D280-D282 PolarHBondContact O-N 3.07Å
281	I	42.9	Very low	61.1	Low	103 Å²	103	72 Å²	72	53%	0.528	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	94.5	164.6	-61.8	176.8	0	0	0	105.7	A279 M283 F288	A279-I281 HydrophobicContact CB-CG1 4.39Å; A279-I281 PolarHBondContact O-N 2.89Å; I281-M283 PolarHBondContact O-N 3.03Å; I281-M283 VanDerWaalsContact O-N 3.15Å; I281-F288 HydrophobicContact CG2-CD1 3.5Å; I281-F288 HydrophobicContact CG2-CE1 4.14Å; I281-F288 HydrophobicContact CG2-CG 4.5Å
282	D	47.8	Very low	59.5	Low	100 Å²	100	74.8 Å²	74.8	54%	0.535	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	104.3	170.4	-88.5	-31.1	0	0	0	108.5	D280 F288 S289	D280-D282 PolarHBondContact O-N 3.07Å; D282-F288 CarbonylContact O-C 3.42Å; D282-F288 VanDerWaalsContact O-CA 3.29Å; D282-F288 WeakPolarHBondContact O-CA 3.27Å; D282-S289 PolarHBondContact O-N 2.71Å
283	M	53.9	Low	58	Low	110 Å²	110	81.1 Å²	81.1	54%	0.542	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	122	168.2	-174.5	-81.1	-64.8	0	0	109.4	I281 R285 G286 N287 F288	I281-M283 PolarHBondContact O-N 3.03Å; I281-M283 VanDerWaalsContact O-N 3.15Å; M283-R285 PolarHBondContact SD-N 2.8Å; M283-R285 VanDerWaalsContact SD-N 3.39Å; M283-G286 PolarHBondContact SD-N 3.09Å; M283-G286 VanDerWaalsContact SD-N 3.4Å; M283-N287 CarbonylContact C-O 3.43Å; M283-N287 WeakPolarHBondContact CA-O 3.36Å; M283-F288 HydrophobicContact CB-CD1 3.73Å; M283-F288 HydrophobicContact CB-CE1 3.6Å; M283-F288 HydrophobicContact CB-CZ 4.44Å; M283-F288 HydrophobicContact CG-CD1 3.88Å; M283-F288 HydrophobicContact CG-CE1 3.43Å; M283-F288 VanDerWaalsContact CG-CE1 3.43Å; M283-F288 HydrophobicContact CG-CE2 4.49Å; M283-F288 HydrophobicContact CG-CZ 3.79Å
284	F	47.3	Very low	57.1	Low	100 Å²	100	83.6 Å²	83.6	44%	0.439	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	106	167.7	-169.7	-94.3	0	0	0	109.6	G286 N287 E404 N405	F284-G286 VanDerWaalsContact C-N 3.31Å; F284-G286 PolarHBondContact O-N 3.45Å; F284-N287 PolarHBondContact N-O 3.13Å; F284-N287 WeakPolarHBondContact O-CB 3.37Å; F284-N287 PolarHBondContact O-N 3.43Å; F284-E404 WeakPolarHBondContact CE1-O 3.25Å; F284-N405 HydrophobicContact CD1-CB 4.1Å; F284-N405 HydrophobicContact CE1-CB 4.42Å
285	R	48.2	Very low	56.4	Low	147 Å²	147	91.3 Å²	91.3	56%	0.555	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	46	178.5	-61.5	-177.2	170.9	-172.7	1.2	113.5	M283 N287 E404	M283-R285 PolarHBondContact SD-N 2.8Å; M283-R285 VanDerWaalsContact SD-N 3.39Å; R285-N287 VanDerWaalsContact C-N 3.26Å; R285-N287 PolarHBondContact O-N 2.76Å; R285-E404 IonicContact CZ-OE2 2.77Å; R285-E404 VanDerWaalsContact NH1-CD 3.3Å; R285-E404 IonicContact NH1-OE1 3.12Å; R285-E404 IonicContact NH1-OE2 3.29Å; R285-E404 PolarHBondContact NH1-OE2 3.03Å
286	G	45.8	Very low	56.2	Low	18 Å²	18	94.4 Å²	94.4	19%	0.186	49%	0.485	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.1	-6.6	-178.5	0	0	0	0	0	114.8	M283 F284 F288 S384	M283-G286 PolarHBondContact SD-N 3.09Å; M283-G286 VanDerWaalsContact SD-N 3.4Å; F284-G286 VanDerWaalsContact C-N 3.31Å; F284-G286 PolarHBondContact O-N 3.45Å; G286-F288 VanDerWaalsContact O-CD2 3.31Å; G286-F288 WeakPolarHBondContact O-CD2 3.29Å; G286-F288 WeakPolarHBondContact O-CE2 3.46Å; G286-S384 WeakPolarHBondContact O-CA 3.46Å; G286-S384 WeakPolarHBondContact O-CB 3.08Å
287	N	44.9	Very low	56.9	Low	41 Å²	41	98 Å²	98	22%	0.219	50%	0.495	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	122.6	168.8	-67.5	-53.5	0	0	0	109.7	M283 F284 R285 N405	M283-N287 CarbonylContact C-O 3.43Å; M283-N287 WeakPolarHBondContact CA-O 3.36Å; F284-N287 PolarHBondContact N-O 3.13Å; F284-N287 WeakPolarHBondContact O-CB 3.37Å; F284-N287 PolarHBondContact O-N 3.43Å; R285-N287 VanDerWaalsContact C-N 3.26Å; R285-N287 PolarHBondContact O-N 2.76Å; N287-N405 PolarHBondContact ND2-O 2.98Å
288	F	55	Low	58.2	Low	82 Å²	82	98.5 Å²	98.5	36%	0.36	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	117.4	177.6	-61	-86.6	0	0	0	109.5	I281 D282 M283 G286 I290	I281-F288 HydrophobicContact CG2-CD1 3.5Å; I281-F288 HydrophobicContact CG2-CE1 4.14Å; I281-F288 HydrophobicContact CG2-CG 4.5Å; D282-F288 CarbonylContact O-C 3.42Å; D282-F288 VanDerWaalsContact O-CA 3.29Å; D282-F288 WeakPolarHBondContact O-CA 3.27Å; M283-F288 HydrophobicContact CB-CD1 3.73Å; M283-F288 HydrophobicContact CB-CE1 3.6Å; M283-F288 HydrophobicContact CB-CZ 4.44Å; M283-F288 HydrophobicContact CG-CD1 3.88Å; M283-F288 HydrophobicContact CG-CE1 3.43Å; M283-F288 VanDerWaalsContact CG-CE1 3.43Å; M283-F288 HydrophobicContact CG-CE2 4.49Å; M283-F288 HydrophobicContact CG-CZ 3.79Å; G286-F288 VanDerWaalsContact O-CD2 3.31Å; G286-F288 WeakPolarHBondContact O-CD2 3.29Å; G286-F288 WeakPolarHBondContact O-CE2 3.46Å; F288-I290 HydrophobicContact CB-CD1 4.33Å; F288-I290 HydrophobicContact CB-CG1 4.15Å; F288-I290 PolarHBondContact O-N 2.66Å
289	S	54	Low	59.9	Low	61 Å²	61	97.2 Å²	97.2	43%	0.427	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	95.2	166.2	-155.2	0	0	0	0	108.6	D282	D282-S289 PolarHBondContact O-N 2.71Å
290	I	57.3	Low	62	Low	91 Å²	91	97.3 Å²	97.3	47%	0.467	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	98.7	174.2	-54.3	171.5	0	0	0	106.9	F288	F288-I290 HydrophobicContact CB-CD1 4.33Å; F288-I290 HydrophobicContact CB-CG1 4.15Å; F288-I290 PolarHBondContact O-N 2.66Å
291	K	52.3	Low	64	Low	150 Å²	150	96.4 Å²	96.4	65%	0.652	48%	0.482	S	S	*	.			trans	-101	106.5	170.3	-73.5	-175	-175.1	172.9	0	109
292	D	60.1	Low	66.4	Low	63 Å²	63	95.6 Å²	95.6	34%	0.337	48%	0.478	S	S	.	.			trans	-138.2	135	173.2	174.8	12.8	0	0	0	109.6	R349	D292-R349 IonicContact OD1-NH2 2.65Å; D292-R349 IonicContact OD2-CZ 2.74Å; D292-R349 IonicContact OD2-NE 3.75Å; D292-R349 PolarHBondContact OD2-NE 3.02Å; D292-R349 IonicContact OD2-NH2 3.94Å; D292-R349 PolarHBondContact OD2-NH2 3.11Å
293	K	60.4	Low	68.6	Low	161 Å²	161	93.8 Å²	93.8	70%	0.7	48%	0.477	S	S	*	.			trans	-103	110.5	-175.9	-175.2	-179.5	179.9	-178.2	0	108.4	Q295	K293-Q295 PolarHBondContact O-N 3.14Å; K293-Q295 VanDerWaalsContact O-N 3.14Å
294	L	71.8	Confident	70.6	Confident	77 Å²	77	93.8 Å²	93.8	40%	0.403	48%	0.478	S	S	.	.			trans	-58.9	116	170.1	-179.9	67.1	0	0	0	110.5	E296 K297 W351	L294-E296 WeakPolarHBondContact CD1-O 3.21Å; L294-K297 HydrophobicContact CD1-CG 4.03Å; L294-K297 HydrophobicContact CD2-CD 4.01Å; L294-K297 VanDerWaalsContact CD2-CE 3.49Å; L294-K297 HydrophobicContact CD2-CG 3.9Å; L294-K297 HydrophobicContact CG-CG 4.43Å; L294-W351 HydrophobicContact CD1-CH2 3.2Å; L294-W351 HydrophobicContact CD1-CZ2 3.62Å; L294-W351 HydrophobicContact CD1-CZ3 4.22Å
295	Q	73.1	Confident	72.9	Confident	190 Å²	190	93.2 Å²	93.2	89%	0.888	48%	0.483	S	S	*	.			trans	-78.1	-56.1	174	-65.2	-163	9.6	0	0	111.4	K293	K293-Q295 PolarHBondContact O-N 3.14Å; K293-Q295 VanDerWaalsContact O-N 3.14Å
296	E	83.2	Confident	75.2	Confident	132 Å²	132	88.8 Å²	88.8	62%	0.617	48%	0.475	S	S	*	.			trans	-148.3	154.9	-179.5	-172.7	174.2	-177	0	0	110.4	L294 I298	L294-E296 WeakPolarHBondContact CD1-O 3.21Å; E296-I298 HydrophobicContact CG-CG1 3.91Å
297	K	86.1	Confident	77.5	Confident	124 Å²	124	95.3 Å²	95.3	54%	0.539	50%	0.5	S	S	.	.			trans	-112	115.5	164.8	-78.8	175.4	176.3	174.2	0	108.9	L294 W351	L294-K297 HydrophobicContact CD1-CG 4.03Å; L294-K297 HydrophobicContact CD2-CD 4.01Å; L294-K297 VanDerWaalsContact CD2-CE 3.49Å; L294-K297 HydrophobicContact CD2-CG 3.9Å; L294-K297 HydrophobicContact CG-CG 4.43Å; K297-W351 HydrophobicContact CD-CD2 4.49Å; K297-W351 HydrophobicContact CD-CZ2 4.5Å; K297-W351 HydrophobicContact CG-CD2 4.4Å; K297-W351 HydrophobicContact CG-CE3 4.18Å; K297-W351 HydrophobicContact CG-CH2 4.05Å; K297-W351 HydrophobicContact CG-CZ2 4.24Å; K297-W351 HydrophobicContact CG-CZ3 4.01Å
298	I	87.1	Confident	79.6	Confident	53 Å²	53	94.1 Å²	94.1	27%	0.272	50%	0.495	S	S	.	.			trans	-103.3	119.8	-179.4	-53.6	-179.4	0	0	0	107.9	E296 I322	E296-I298 HydrophobicContact CG-CG1 3.91Å; I298-I322 HydrophobicContact CD1-CD1 3.59Å; I298-I322 HydrophobicContact CG2-CD1 3.78Å; I298-I322 HydrophobicContact CG2-CG2 4.33Å
299	A	90.4	Very high	81.2	Confident	66 Å²	66	96.4 Å²	96.4	55%	0.545	52%	0.518	S	S	.	.			trans	-76.2	125.3	174.3	0	0	0	0	0	109.8	T301 R318	A299-T301 PolarHBondContact O-N 3.05Å; A299-R318 WeakPolarHBondContact O-CD 3.45Å
300	L	90.4	Very high	82.7	Confident	58 Å²	58	99.7 Å²	99.7	30%	0.304	53%	0.531	S	S	.	.			trans	-79.8	115.1	168.1	-55.1	178	0	0	0	107.6	F316 S317 R318 I322 A324	L300-F316 HydrophobicContact CB-CB 3.83Å; L300-F316 HydrophobicContact CD1-CB 3.4Å; L300-F316 VanDerWaalsContact CD1-CB 3.4Å; L300-F316 HydrophobicContact CD1-CG 4.42Å; L300-F316 HydrophobicContact CG-CB 4.22Å; L300-S317 CarbonylContact C-O 3.57Å; L300-S317 WeakPolarHBondContact CA-O 3.32Å; L300-R318 HydrophobicContact CD2-CB 4.23Å; L300-I322 HydrophobicContact CD2-CB 4.38Å; L300-I322 HydrophobicContact CD2-CG2 3.56Å; L300-A324 HydrophobicContact CD1-CB 3.9Å
301	T	92.4	Very high	84.4	Confident	98 Å²	98	96.2 Å²	96.2	60%	0.601	52%	0.518	S	S	*	.			trans	-94.8	-21.8	-169	45.9	0	0	0	0	113.4	A299 S317	A299-T301 PolarHBondContact O-N 3.05Å; T301-S317 PolarHBondContact N-O 2.94Å
302	D	93.8	Very high	86.5	Confident	85 Å²	85	95.4 Å²	95.4	46%	0.455	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	146.9	-176	-57.3	-74.2	0	0	0	109.3	F316 S317	D302-F316 CarbonylContact O-C 3.56Å; D302-F316 WeakPolarHBondContact O-CA 3.49Å; D302-S317 PolarHBondContact N-O 3.01Å; D302-S317 PolarHBondContact O-N 2.74Å
303	A	93.5	Very high	88.1	Confident	62 Å²	62	95.1 Å²	95.1	51%	0.512	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	129.7	177.9	0	0	0	0	0	110.5	I314 H315 F316	A303-I314 HydrophobicContact CB-CG2 4.39Å; A303-H315 CarbonylContact C-O 3.57Å; A303-H315 VanDerWaalsContact CA-O 3.31Å; A303-H315 WeakPolarHBondContact CA-O 3.33Å; A303-F316 HydrophobicContact CB-CD1 3.89Å; A303-F316 HydrophobicContact CB-CE1 4.12Å
304	I	95.1	Very high	89.6	Confident	110 Å²	110	88.9 Å²	88.9	56%	0.564	48%	0.483	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.3	121.4	172.5	-61.1	172.9	0	0	0	107.5	I314 H315	I304-I314 WeakPolarHBondContact O-CA 3.31Å; I304-H315 PolarHBondContact N-O 2.87Å; I304-H315 PolarHBondContact O-N 3.09Å
305	V	95.9	Very high	90.6	Very high	88 Å²	88	88.2 Å²	88.2	53%	0.533	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	127.3	176.3	-176.1	0	0	0	0	108.7	W312 L313 I314	V305-W312 HydrophobicContact CG1-CE3 3.82Å; V305-W312 HydrophobicContact CG1-CZ3 4.33Å; V305-L313 CarbonylContact C-O 3.59Å; V305-L313 WeakPolarHBondContact CA-O 3.31Å; V305-I314 HydrophobicContact CG1-CG1 4.41Å; V305-I314 HydrophobicContact CG2-CG1 4.2Å; V305-I314 HydrophobicContact CG2-CG2 4.15Å
306	S	96.3	Very high	91.6	Very high	55 Å²	55	81.9 Å²	81.9	39%	0.385	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	156.7	174.9	60.6	0	0	0	0	110.7	W312 L313	S306-W312 WeakPolarHBondContact O-CA 3.45Å; S306-L313 PolarHBondContact N-O 3.36Å; S306-L313 PolarHBondContact O-N 3.39Å
307	Q	94.7	Very high	92	Very high	154 Å²	154	76.3 Å²	76.3	72%	0.72	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86	137.6	176.9	-167.7	173.2	6.4	0	0	109.7	W312	Q307-W312 HydrophobicContact CB-CE3 4.31Å; Q307-W312 HydrophobicContact CB-CZ3 4.17Å
308	S	88.2	Confident	92.2	Very high	17 Å²	17	76.2 Å²	76.2	12%	0.119	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	165.8	169.9	70.4	0	0	0	0	109.9	D310 G311 W312	S308-D310 PolarHBondContact O-N 3.38Å; S308-G311 PolarHBondContact N-O 3.12Å; S308-G311 PolarHBondContact O-N 3.19Å; S308-G311 PolarHBondContact OG-N 3.47Å; S308-G311 PolarHBondContact OG-O 2.84Å; S308-W312 PolarHBondContact OG-N 3.13Å
309	P	88.4	Confident	92.2	Very high	129 Å²	129	76.3 Å²	76.3	84%	0.838	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-34.7	177.9	-27.3	36.3	0	0	0	113.5
310	D	87.2	Confident	91.8	Very high	130 Å²	130	78.4 Å²	78.4	70%	0.695	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.7	9.5	-172.1	-51.8	-46.3	0	0	0	113.1	S308 S329	S308-D310 PolarHBondContact O-N 3.38Å; D310-S329 WeakPolarHBondContact O-CA 3.13Å; D310-S329 WeakPolarHBondContact O-CB 3.34Å
311	G	92.7	Very high	91.2	Very high	19 Å²	19	81.7 Å²	81.7	20%	0.196	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	156.8	-122	178.5	0	0	0	0	0	114.3	S308 I328	S308-G311 PolarHBondContact N-O 3.12Å; S308-G311 PolarHBondContact O-N 3.19Å; S308-G311 PolarHBondContact OG-N 3.47Å; S308-G311 PolarHBondContact OG-O 2.84Å; G311-I328 CarbonylContact C-O 3.57Å; G311-I328 VanDerWaalsContact CA-O 3.29Å; G311-I328 WeakPolarHBondContact CA-O 3.41Å
312	W	95.2	Very high	90.9	Very high	132 Å²	132	78.8 Å²	78.8	50%	0.5	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	141.4	-173.3	-61.8	87.8	0	0	0	111.6	V305 S306 Q307 S308 I328	V305-W312 HydrophobicContact CG1-CE3 3.82Å; V305-W312 HydrophobicContact CG1-CZ3 4.33Å; S306-W312 WeakPolarHBondContact O-CA 3.45Å; Q307-W312 HydrophobicContact CB-CE3 4.31Å; Q307-W312 HydrophobicContact CB-CZ3 4.17Å; S308-W312 PolarHBondContact OG-N 3.13Å; W312-I328 HydrophobicContact CB-CB 4.33Å; W312-I328 PolarHBondContact N-O 3.27Å; W312-I328 PolarHBondContact O-N 2.9Å
313	L	93.9	Very high	90.7	Very high	57 Å²	57	75.6 Å²	75.6	30%	0.298	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	129.9	169.4	-73.2	162.6	0	0	0	108.7	V305 S306 T325 L326 N327	V305-L313 CarbonylContact C-O 3.59Å; V305-L313 WeakPolarHBondContact CA-O 3.31Å; S306-L313 PolarHBondContact N-O 3.36Å; S306-L313 PolarHBondContact O-N 3.39Å; L313-T325 HydrophobicContact CD2-CG2 3.83Å; L313-L326 CarbonylContact C-O 3.51Å; L313-L326 WeakPolarHBondContact CA-O 3.49Å; L313-N327 HydrophobicContact CD2-CB 3.74Å
314	I	93.4	Very high	90.6	Very high	31 Å²	31	72.7 Å²	72.7	16%	0.159	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	108.5	171.4	-48.7	-174.9	0	0	0	107.9	A303 I304 V305 F316 T325 L326 I328	A303-I314 HydrophobicContact CB-CG2 4.39Å; I304-I314 WeakPolarHBondContact O-CA 3.31Å; V305-I314 HydrophobicContact CG1-CG1 4.41Å; V305-I314 HydrophobicContact CG2-CG1 4.2Å; V305-I314 HydrophobicContact CG2-CG2 4.15Å; I314-F316 HydrophobicContact CB-CE2 3.99Å; I314-F316 HydrophobicContact CB-CZ 4.14Å; I314-F316 HydrophobicContact CG2-CD1 4.24Å; I314-F316 HydrophobicContact CG2-CD2 4.14Å; I314-F316 HydrophobicContact CG2-CE1 3.73Å; I314-F316 HydrophobicContact CG2-CE2 3.62Å; I314-F316 HydrophobicContact CG2-CG 4.42Å; I314-F316 HydrophobicContact CG2-CZ 3.4Å; I314-T325 WeakPolarHBondContact O-CA 3.33Å; I314-L326 HydrophobicContact CB-CB 4.38Å; I314-L326 PolarHBondContact N-O 3.43Å; I314-L326 PolarHBondContact O-N 2.83Å; I314-I328 HydrophobicContact CD1-CD1 3.55Å; I314-I328 HydrophobicContact CG1-CD1 4.06Å
315	H	92.9	Very high	90.4	Very high	62 Å²	62	68.7 Å²	68.7	29%	0.287	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	109.4	174.4	-175.9	76.6	0	0	0	109.3	A303 I304 S323 T325 D343	A303-H315 CarbonylContact C-O 3.57Å; A303-H315 VanDerWaalsContact CA-O 3.31Å; A303-H315 WeakPolarHBondContact CA-O 3.33Å; I304-H315 PolarHBondContact N-O 2.87Å; I304-H315 PolarHBondContact O-N 3.09Å; H315-S323 WeakPolarHBondContact CE1-CB 3.44Å; H315-T325 PolarHBondContact ND1-OG1 3.34Å; H315-D343 IonicContact CE1-OD2 3.84Å; H315-D343 PolarHBondContact CE1-OD2 3.15Å; H315-D343 IonicContact ND1-OD2 3.24Å
316	F	92.7	Very high	90.1	Very high	57 Å²	57	65 Å²	65	25%	0.25	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	137.4	174.7	-60.9	-80.3	0	0	0	109.8	L300 D302 A303 I314 S323 A324 L326	L300-F316 HydrophobicContact CB-CB 3.83Å; L300-F316 HydrophobicContact CD1-CB 3.4Å; L300-F316 VanDerWaalsContact CD1-CB 3.4Å; L300-F316 HydrophobicContact CD1-CG 4.42Å; L300-F316 HydrophobicContact CG-CB 4.22Å; D302-F316 CarbonylContact O-C 3.56Å; D302-F316 WeakPolarHBondContact O-CA 3.49Å; A303-F316 HydrophobicContact CB-CD1 3.89Å; A303-F316 HydrophobicContact CB-CE1 4.12Å; I314-F316 HydrophobicContact CB-CE2 3.99Å; I314-F316 HydrophobicContact CB-CZ 4.14Å; I314-F316 HydrophobicContact CG2-CD1 4.24Å; I314-F316 HydrophobicContact CG2-CD2 4.14Å; I314-F316 HydrophobicContact CG2-CE1 3.73Å; I314-F316 HydrophobicContact CG2-CE2 3.62Å; I314-F316 HydrophobicContact CG2-CG 4.42Å; I314-F316 HydrophobicContact CG2-CZ 3.4Å; F316-S323 CarbonylContact O-C 3.57Å; F316-S323 WeakPolarHBondContact O-CA 3.29Å; F316-S323 VanDerWaalsContact O-CB 3.24Å; F316-S323 WeakPolarHBondContact O-CB 3.48Å; F316-A324 PolarHBondContact N-O 2.75Å; F316-A324 PolarHBondContact O-N 3.11Å; F316-L326 HydrophobicContact CE2-CB 3.9Å; F316-L326 HydrophobicContact CE2-CD2 4.24Å
317	S	92.3	Very high	89.9	Confident	16 Å²	16	64.1 Å²	64.1	11%	0.112	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	163.6	176.6	66	0	0	0	0	113.6	L300 T301 D302 I322	L300-S317 CarbonylContact C-O 3.57Å; L300-S317 WeakPolarHBondContact CA-O 3.32Å; T301-S317 PolarHBondContact N-O 2.94Å; D302-S317 PolarHBondContact N-O 3.01Å; D302-S317 PolarHBondContact O-N 2.74Å; S317-I322 CarbonylContact C-O 3.56Å; S317-I322 WeakPolarHBondContact CA-O 3.47Å
318	R	89.8	Confident	89.9	Confident	122 Å²	122	58.6 Å²	58.6	46%	0.46	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	98	163.5	-176.9	-175.7	-176	171.3	-4.9	107.3	A299 L300 I322	A299-R318 WeakPolarHBondContact O-CD 3.45Å; L300-R318 HydrophobicContact CD2-CB 4.23Å; R318-I322 HydrophobicContact CB-CB 4.47Å; R318-I322 PolarHBondContact N-O 3.04Å
319	G	87.1	Confident	90.2	Very high	55 Å²	55	58.6 Å²	58.6	57%	0.567	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	66	-152	-169.7	0	0	0	0	0	111.8
320	S	81.5	Confident	90.5	Very high	109 Å²	109	55.5 Å²	55.5	76%	0.762	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-17.1	-178.2	48.1	0	0	0	0	114.7
321	D	78.2	Confident	90.6	Very high	128 Å²	128	51.6 Å²	51.6	68%	0.684	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.5	-18.1	-159.9	-53.9	-19.4	0	0	0	113.2
322	I	87.1	Confident	90.5	Very high	36 Å²	36	59.2 Å²	59.2	19%	0.185	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	114.6	-173.7	-53.4	-178.8	0	0	0	107.9	I298 L300 S317 R318	I298-I322 HydrophobicContact CD1-CD1 3.59Å; I298-I322 HydrophobicContact CG2-CD1 3.78Å; I298-I322 HydrophobicContact CG2-CG2 4.33Å; L300-I322 HydrophobicContact CD2-CB 4.38Å; L300-I322 HydrophobicContact CD2-CG2 3.56Å; S317-I322 CarbonylContact C-O 3.56Å; S317-I322 WeakPolarHBondContact CA-O 3.47Å; R318-I322 HydrophobicContact CB-CB 4.47Å; R318-I322 PolarHBondContact N-O 3.04Å
323	S	89.3	Confident	90.4	Very high	18 Å²	18	59.8 Å²	59.8	13%	0.126	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	157	178.3	53.3	0	0	0	0	112.8	H315 F316 D343	H315-S323 WeakPolarHBondContact CE1-CB 3.44Å; F316-S323 CarbonylContact O-C 3.57Å; F316-S323 WeakPolarHBondContact O-CA 3.29Å; F316-S323 VanDerWaalsContact O-CB 3.24Å; F316-S323 WeakPolarHBondContact O-CB 3.48Å; S323-D343 VanDerWaalsContact CB-OD2 3.24Å; S323-D343 WeakPolarHBondContact CB-OD2 3.35Å; S323-D343 PolarHBondContact O-N 3.46Å; S323-D343 WeakPolarHBondContact OG-CB 3.39Å; S323-D343 PolarHBondContact OG-OD2 3.46Å
324	A	90.1	Very high	90.1	Very high	2 Å²	2	59.9 Å²	59.9	2%	0.017	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	139	172.1	0	0	0	0	0	108.9	L300 F316 Q341 N342	L300-A324 HydrophobicContact CD1-CB 3.9Å; F316-A324 PolarHBondContact N-O 2.75Å; F316-A324 PolarHBondContact O-N 3.11Å; A324-Q341 CarbonylContact C-O 3.52Å; A324-Q341 WeakPolarHBondContact CA-O 3.44Å; A324-N342 WeakPolarHBondContact CB-OD1 3.36Å
325	T	90.9	Very high	89.9	Confident	25 Å²	25	65.2 Å²	65.2	15%	0.153	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	125.6	179.9	-56.5	0	0	0	0	109.8	L313 I314 H315 Q341	L313-T325 HydrophobicContact CD2-CG2 3.83Å; I314-T325 WeakPolarHBondContact O-CA 3.33Å; H315-T325 PolarHBondContact ND1-OG1 3.34Å; T325-Q341 PolarHBondContact N-O 2.98Å; T325-Q341 PolarHBondContact O-N 3.19Å
326	L	91.3	Very high	89.6	Confident	11 Å²	11	68.1 Å²	68.1	6%	0.058	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	114.3	173	176.1	66.8	0	0	0	109.1	L313 I314 F316 I328 L338 E339 L340	L313-L326 CarbonylContact C-O 3.51Å; L313-L326 WeakPolarHBondContact CA-O 3.49Å; I314-L326 HydrophobicContact CB-CB 4.38Å; I314-L326 PolarHBondContact N-O 3.43Å; I314-L326 PolarHBondContact O-N 2.83Å; F316-L326 HydrophobicContact CE2-CB 3.9Å; F316-L326 HydrophobicContact CE2-CD2 4.24Å; L326-I328 HydrophobicContact CD2-CD1 3.95Å; L326-I328 HydrophobicContact CD2-CG1 4Å; L326-I328 HydrophobicContact CG-CD1 4.32Å; L326-I328 HydrophobicContact CG-CG1 3.84Å; L326-L338 HydrophobicContact CD1-CB 4.06Å; L326-L338 HydrophobicContact CD1-CD2 4.33Å; L326-E339 CarbonylContact C-O 3.58Å; L326-E339 WeakPolarHBondContact CA-O 3.15Å; L326-L340 HydrophobicContact CB-CD1 4.01Å; L326-L340 HydrophobicContact CD1-CB 4.35Å; L326-L340 HydrophobicContact CD1-CD1 4.11Å
327	N	92.3	Very high	89.4	Confident	37 Å²	37	68.8 Å²	68.8	20%	0.198	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	125.3	168.1	-173.9	23.4	0	0	0	109.3	L313 E339	L313-N327 HydrophobicContact CD2-CB 3.74Å; N327-E339 HydrophobicContact CB-CB 4.2Å; N327-E339 PolarHBondContact N-O 3.4Å; N327-E339 PolarHBondContact ND2-OE2 3Å; N327-E339 PolarHBondContact O-N 3.5Å
328	I	93.4	Very high	89.3	Confident	38 Å²	38	71.2 Å²	71.2	20%	0.195	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	114.8	-178.5	-53.9	-176.6	0	0	0	107.1	G311 W312 I314 L326 L336 L337 L338	G311-I328 CarbonylContact C-O 3.57Å; G311-I328 VanDerWaalsContact CA-O 3.29Å; G311-I328 WeakPolarHBondContact CA-O 3.41Å; W312-I328 HydrophobicContact CB-CB 4.33Å; W312-I328 PolarHBondContact N-O 3.27Å; W312-I328 PolarHBondContact O-N 2.9Å; I314-I328 HydrophobicContact CD1-CD1 3.55Å; I314-I328 HydrophobicContact CG1-CD1 4.06Å; L326-I328 HydrophobicContact CD2-CD1 3.95Å; L326-I328 HydrophobicContact CD2-CG1 4Å; L326-I328 HydrophobicContact CG-CD1 4.32Å; L326-I328 HydrophobicContact CG-CG1 3.84Å; I328-L336 HydrophobicContact CG2-CD1 3.54Å; I328-L337 WeakPolarHBondContact CA-O 3.29Å; I328-L338 HydrophobicContact CB-CD2 4.23Å; I328-L338 HydrophobicContact CD1-CD2 4.34Å; I328-L338 HydrophobicContact CG1-CD2 3.8Å; I328-L338 HydrophobicContact CG2-CD2 3.92Å
329	S	94.7	Very high	89.1	Confident	17 Å²	17	70 Å²	70	12%	0.119	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	-173.5	178.9	60.9	0	0	0	0	110.5	D310 L337	D310-S329 WeakPolarHBondContact O-CA 3.13Å; D310-S329 WeakPolarHBondContact O-CB 3.34Å; S329-L337 PolarHBondContact N-O 3.27Å; S329-L337 PolarHBondContact O-N 2.9Å
330	A	93.8	Very high	89.1	Confident	64 Å²	64	70.4 Å²	70.4	53%	0.529	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	142.7	168.5	0	0	0	0	0	109.2	R335	A330-R335 CarbonylContact C-O 3.57Å; A330-R335 VanDerWaalsContact CA-O 3.23Å; A330-R335 WeakPolarHBondContact CA-O 3.4Å
331	D	90.3	Very high	89.1	Confident	47 Å²	47	71.5 Å²	71.5	25%	0.251	38%	0.384	S	S	.	.			trans	-77.1	179.4	171.6	72.6	8.4	0	0	0	112.2	Q333 G334 R335	D331-Q333 PolarHBondContact O-N 2.82Å; D331-Q333 WeakPolarHBondContact OD1-CA 3.5Å; D331-Q333 WeakPolarHBondContact OD1-CB 2.98Å; D331-Q333 PolarHBondContact OD1-N 3.26Å; D331-G334 PolarHBondContact O-N 2.82Å; D331-G334 PolarHBondContact OD1-N 2.89Å; D331-R335 PolarHBondContact N-O 3.49Å; D331-R335 WeakPolarHBondContact OD1-CB 3.34Å; D331-R335 PolarHBondContact OD1-N 2.83Å; D331-R335 IonicContact OD1-NE 3.81Å; D331-R335 IonicContact OD2-CZ 2.72Å; D331-R335 IonicContact OD2-NE 3Å; D331-R335 PolarHBondContact OD2-NE 2.96Å; D331-R335 IonicContact OD2-NH2 2.89Å; D331-R335 PolarHBondContact OD2-NH2 2.95Å
332	D	90.1	Very high	89.2	Confident	180 Å²	180	67.2 Å²	67.2	96%	0.963	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-16.3	180	-63.3	-18.5	0	0	0	114.2
333	Q	92.6	Very high	88.6	Confident	143 Å²	143	69 Å²	69	67%	0.668	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	4.8	176.8	-60.5	-174.4	-2	0	0	112.6	D331 R335	D331-Q333 PolarHBondContact O-N 2.82Å; D331-Q333 WeakPolarHBondContact OD1-CA 3.5Å; D331-Q333 WeakPolarHBondContact OD1-CB 2.98Å; D331-Q333 PolarHBondContact OD1-N 3.26Å; Q333-R335 VanDerWaalsContact C-N 3.29Å; Q333-R335 HydrophobicContact CB-CG 4.16Å; Q333-R335 PolarHBondContact O-N 2.83Å
334	G	89.5	Confident	87.8	Confident	60 Å²	60	70.4 Å²	70.4	62%	0.619	38%	0.377	S	S	*	.	S	Bend	trans	74.2	16.8	-177.5	0	0	0	0	0	113.7	D331	D331-G334 PolarHBondContact O-N 2.82Å; D331-G334 PolarHBondContact OD1-N 2.89Å
335	R	87.9	Confident	86.8	Confident	142 Å²	142	74.8 Å²	74.8	54%	0.536	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-83.5	137.7	178	-56.7	176.3	-64.9	-173	1.8	109.1	A330 D331 Q333 L337	A330-R335 CarbonylContact C-O 3.57Å; A330-R335 VanDerWaalsContact CA-O 3.23Å; A330-R335 WeakPolarHBondContact CA-O 3.4Å; D331-R335 PolarHBondContact N-O 3.49Å; D331-R335 WeakPolarHBondContact OD1-CB 3.34Å; D331-R335 PolarHBondContact OD1-N 2.83Å; D331-R335 IonicContact OD1-NE 3.81Å; D331-R335 IonicContact OD2-CZ 2.72Å; D331-R335 IonicContact OD2-NE 3Å; D331-R335 PolarHBondContact OD2-NE 2.96Å; D331-R335 IonicContact OD2-NH2 2.89Å; D331-R335 PolarHBondContact OD2-NH2 2.95Å; Q333-R335 VanDerWaalsContact C-N 3.29Å; Q333-R335 HydrophobicContact CB-CG 4.16Å; Q333-R335 PolarHBondContact O-N 2.83Å; R335-L337 PolarHBondContact O-N 2.75Å
336	L	87.2	Confident	85.8	Confident	124 Å²	124	80 Å²	80	65%	0.649	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.9	119.5	176.9	-178.3	67.7	0	0	0	110.3	I328 L338	I328-L336 HydrophobicContact CG2-CD1 3.54Å; L336-L338 HydrophobicContact CD1-CD2 4.2Å; L336-L338 HydrophobicContact CD2-CD1 4.41Å; L336-L338 HydrophobicContact CD2-CD2 4.18Å; L336-L338 HydrophobicContact CD2-CG 4.29Å; L336-L338 HydrophobicContact CG-CD2 4.06Å; L336-L338 HydrophobicContact CG-CG 4.19Å
337	L	88.9	Confident	85.1	Confident	70 Å²	70	81.8 Å²	81.8	37%	0.366	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	129.5	172	-174.9	69.2	0	0	0	108.7	I328 S329 R335 E339	I328-L337 WeakPolarHBondContact CA-O 3.29Å; S329-L337 PolarHBondContact N-O 3.27Å; S329-L337 PolarHBondContact O-N 2.9Å; R335-L337 PolarHBondContact O-N 2.75Å; L337-E339 HydrophobicContact CD2-CG 4Å; L337-E339 HydrophobicContact CG-CG 4.01Å
338	L	88.5	Confident	84.1	Confident	67 Å²	67	84.3 Å²	84.3	35%	0.351	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	105.6	176.8	-62.7	-178.2	0	0	0	107.9	L326 I328 L336	L326-L338 HydrophobicContact CD1-CB 4.06Å; L326-L338 HydrophobicContact CD1-CD2 4.33Å; I328-L338 HydrophobicContact CB-CD2 4.23Å; I328-L338 HydrophobicContact CD1-CD2 4.34Å; I328-L338 HydrophobicContact CG1-CD2 3.8Å; I328-L338 HydrophobicContact CG2-CD2 3.92Å; L336-L338 HydrophobicContact CD1-CD2 4.2Å; L336-L338 HydrophobicContact CD2-CD1 4.41Å; L336-L338 HydrophobicContact CD2-CD2 4.18Å; L336-L338 HydrophobicContact CD2-CG 4.29Å; L336-L338 HydrophobicContact CG-CD2 4.06Å; L336-L338 HydrophobicContact CG-CG 4.19Å
339	E	87.6	Confident	83.3	Confident	98 Å²	98	87 Å²	87	46%	0.458	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	128.1	175.3	-55.6	177.8	126.2	0	0	109.1	L326 N327 L337	L326-E339 CarbonylContact C-O 3.58Å; L326-E339 WeakPolarHBondContact CA-O 3.15Å; N327-E339 HydrophobicContact CB-CB 4.2Å; N327-E339 PolarHBondContact N-O 3.4Å; N327-E339 PolarHBondContact ND2-OE2 3Å; N327-E339 PolarHBondContact O-N 3.5Å; L337-E339 HydrophobicContact CD2-CG 4Å; L337-E339 HydrophobicContact CG-CG 4.01Å
340	L	86.2	Confident	82.6	Confident	63 Å²	63	89 Å²	89	33%	0.33	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	125.2	-170.8	-175.3	68.2	0	0	0	109.4	L326 I350 L352	L326-L340 HydrophobicContact CB-CD1 4.01Å; L326-L340 HydrophobicContact CD1-CB 4.35Å; L326-L340 HydrophobicContact CD1-CD1 4.11Å; L340-I350 HydrophobicContact CD1-CD1 4.05Å; L340-I350 HydrophobicContact CD1-CG2 4.48Å; L340-I350 HydrophobicContact CD2-CB 3.7Å; L340-I350 HydrophobicContact CD2-CD1 3.19Å; L340-I350 HydrophobicContact CD2-CG1 4.04Å; L340-I350 HydrophobicContact CD2-CG2 3.65Å; L340-I350 HydrophobicContact CG-CD1 3.31Å; L340-I350 HydrophobicContact CG-CG2 4.48Å; L340-L352 HydrophobicContact CD2-CD1 4.03Å; L340-L352 HydrophobicContact CD2-CG 4.31Å
341	Q	81.8	Confident	82.1	Confident	131 Å²	131	91.8 Å²	91.8	61%	0.612	46%	0.462	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.9	123.7	-177.7	-175.8	175.2	-1.1	0	0	109.3	A324 T325	A324-Q341 CarbonylContact C-O 3.52Å; A324-Q341 WeakPolarHBondContact CA-O 3.44Å; T325-Q341 PolarHBondContact N-O 2.98Å; T325-Q341 PolarHBondContact O-N 3.19Å
342	N	80.2	Confident	81.7	Confident	38 Å²	38	93.4 Å²	93.4	20%	0.203	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	134.2	166.1	-85.6	-23	0	0	0	109.1	A324 N344 H347 I350	A324-N342 WeakPolarHBondContact CB-OD1 3.36Å; N342-N344 PolarHBondContact O-N 2.67Å; N342-H347 PolarHBondContact ND2-O 3.38Å; N342-I350 VanDerWaalsContact CG-CD1 3.44Å; N342-I350 WeakPolarHBondContact ND2-CD1 3.37Å; N342-I350 WeakPolarHBondContact ND2-CG1 3.13Å; N342-I350 WeakPolarHBondContact OD1-CD1 3.18Å; N342-I350 VanDerWaalsContact OD1-CG1 3.29Å; N342-I350 WeakPolarHBondContact OD1-CG1 3.07Å
343	D	73.7	Confident	81.4	Confident	74 Å²	74	96.5 Å²	96.5	40%	0.396	47%	0.468	S	S	.	.	S	Bend	trans	-80.1	-10.7	176.3	-58.4	-31.4	0	0	0	111.6	H315 S323	H315-D343 IonicContact CE1-OD2 3.84Å; H315-D343 PolarHBondContact CE1-OD2 3.15Å; H315-D343 IonicContact ND1-OD2 3.24Å; S323-D343 VanDerWaalsContact CB-OD2 3.24Å; S323-D343 WeakPolarHBondContact CB-OD2 3.35Å; S323-D343 PolarHBondContact O-N 3.46Å; S323-D343 WeakPolarHBondContact OG-CB 3.39Å; S323-D343 PolarHBondContact OG-OD2 3.46Å
344	N	72.6	Confident	80.9	Confident	48 Å²	48	95.9 Å²	95.9	26%	0.257	47%	0.469	S	S	.	.			trans	-134.5	118.6	178.7	-173.3	-26.5	0	0	0	110.8	N342 N346 H347	N342-N344 PolarHBondContact O-N 2.67Å; N344-N346 PolarHBondContact O-N 2.82Å; N344-N346 VanDerWaalsContact OD1-CB 3.25Å; N344-N346 WeakPolarHBondContact OD1-CB 3.42Å; N344-N346 PolarHBondContact OD1-N 3.15Å; N344-N346 PolarHBondContact OD1-ND2 3.03Å; N344-H347 WeakPolarHBondContact O-CB 2.94Å; N344-H347 PolarHBondContact O-N 3.46Å
345	L	69.6	Low	80.7	Confident	94 Å²	94	98 Å²	98	49%	0.492	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-17.2	-177.5	-65.1	175.5	0	0	0	113.7	T194 L195 H347	T194-L345 HydrophobicContact CG2-CD1 4.03Å; T194-L345 HydrophobicContact CG2-CG 4.45Å; L195-L345 HydrophobicContact CB-CD1 3.94Å; L345-H347 PolarHBondContact O-N 3.16Å
346	N	69.9	Low	80.7	Confident	135 Å²	135	93 Å²	93	72%	0.722	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-22.1	171.6	-65.6	-31.7	0	0	0	111.7	N344 N348	N344-N346 PolarHBondContact O-N 2.82Å; N344-N346 VanDerWaalsContact OD1-CB 3.25Å; N344-N346 WeakPolarHBondContact OD1-CB 3.42Å; N344-N346 PolarHBondContact OD1-N 3.15Å; N344-N346 PolarHBondContact OD1-ND2 3.03Å; N346-N348 PolarHBondContact O-N 2.73Å
347	H	77.1	Confident	80.9	Confident	47 Å²	47	92.5 Å²	92.5	22%	0.218	46%	0.464	C	S	.	.			trans	-84.7	101.8	167.7	-52.2	132	0	0	0	108.8	N342 N344 L345	N342-H347 PolarHBondContact ND2-O 3.38Å; N344-H347 WeakPolarHBondContact O-CB 2.94Å; N344-H347 PolarHBondContact O-N 3.46Å; L345-H347 PolarHBondContact O-N 3.16Å
348	N	71.2	Confident	80.8	Confident	90 Å²	90	94.6 Å²	94.6	48%	0.481	48%	0.481	S	S	.	.			trans	-95.7	0.8	-178.4	65.9	-1	0	0	0	113.7	N346	N346-N348 PolarHBondContact O-N 2.73Å
349	R	76.3	Confident	81	Confident	96 Å²	96	97.4 Å²	97.4	36%	0.362	49%	0.493	S	S	.	.			trans	-143.1	144.5	-177.7	-70.4	176.1	175.1	-110.1	5.8	111	D292 W351	D292-R349 IonicContact OD1-NH2 2.65Å; D292-R349 IonicContact OD2-CZ 2.74Å; D292-R349 IonicContact OD2-NE 3.75Å; D292-R349 PolarHBondContact OD2-NE 3.02Å; D292-R349 IonicContact OD2-NH2 3.94Å; D292-R349 PolarHBondContact OD2-NH2 3.11Å; R349-W351 HydrophobicContact CB-CE3 4.43Å; R349-W351 HydrophobicContact CB-CH2 3.34Å; R349-W351 HydrophobicContact CB-CZ2 4.01Å; R349-W351 HydrophobicContact CB-CZ3 3.61Å; R349-W351 HydrophobicContact CG-CH2 4.1Å
350	I	78.8	Confident	81.1	Confident	58 Å²	58	95.9 Å²	95.9	30%	0.297	49%	0.488	S	S	.	.			trans	-131.3	135.2	173.2	-53	163.7	0	0	0	108.7	L340 N342 L352	L340-I350 HydrophobicContact CD1-CD1 4.05Å; L340-I350 HydrophobicContact CD1-CG2 4.48Å; L340-I350 HydrophobicContact CD2-CB 3.7Å; L340-I350 HydrophobicContact CD2-CD1 3.19Å; L340-I350 HydrophobicContact CD2-CG1 4.04Å; L340-I350 HydrophobicContact CD2-CG2 3.65Å; L340-I350 HydrophobicContact CG-CD1 3.31Å; L340-I350 HydrophobicContact CG-CG2 4.48Å; N342-I350 VanDerWaalsContact CG-CD1 3.44Å; N342-I350 WeakPolarHBondContact ND2-CD1 3.37Å; N342-I350 WeakPolarHBondContact ND2-CG1 3.13Å; N342-I350 WeakPolarHBondContact OD1-CD1 3.18Å; N342-I350 VanDerWaalsContact OD1-CG1 3.29Å; N342-I350 WeakPolarHBondContact OD1-CG1 3.07Å; I350-L352 HydrophobicContact CG2-CD2 4.35Å; I350-L352 HydrophobicContact CG2-CG 4.46Å
351	W	84.1	Confident	81.2	Confident	122 Å²	122	97.7 Å²	97.7	46%	0.462	50%	0.495	S	S	.	.			trans	-107.3	109.8	175.1	-70.5	-90.9	0	0	0	109.1	L294 K297 R349	L294-W351 HydrophobicContact CD1-CH2 3.2Å; L294-W351 HydrophobicContact CD1-CZ2 3.62Å; L294-W351 HydrophobicContact CD1-CZ3 4.22Å; K297-W351 HydrophobicContact CD-CD2 4.49Å; K297-W351 HydrophobicContact CD-CZ2 4.5Å; K297-W351 HydrophobicContact CG-CD2 4.4Å; K297-W351 HydrophobicContact CG-CE3 4.18Å; K297-W351 HydrophobicContact CG-CH2 4.05Å; K297-W351 HydrophobicContact CG-CZ2 4.24Å; K297-W351 HydrophobicContact CG-CZ3 4.01Å; R349-W351 HydrophobicContact CB-CE3 4.43Å; R349-W351 HydrophobicContact CB-CH2 3.34Å; R349-W351 HydrophobicContact CB-CZ2 4.01Å; R349-W351 HydrophobicContact CB-CZ3 3.61Å; R349-W351 HydrophobicContact CG-CH2 4.1Å
352	L	81.2	Confident	81.3	Confident	82 Å²	82	94.3 Å²	94.3	43%	0.429	48%	0.48	S	S	.	.			trans	-93.5	136	170.5	-64.2	176	0	0	0	109.8	L340 I350	L340-L352 HydrophobicContact CD2-CD1 4.03Å; L340-L352 HydrophobicContact CD2-CG 4.31Å; I350-L352 HydrophobicContact CG2-CD2 4.35Å; I350-L352 HydrophobicContact CG2-CG 4.46Å
353	R	84.3	Confident	81.3	Confident	245 Å²	245	98.1 Å²	98.1	93%	0.925	49%	0.492	S	S	*	.			trans	-114.9	106.2	168.8	-67.4	-176.1	-177.2	-173	1.6	107.6
354	L	81.4	Confident	81.2	Confident	130 Å²	130	96.9 Å²	96.9	68%	0.681	50%	0.497	S	S	*	.			trans	-88.4	130	174.6	-59.5	175.6	0	0	0	108.6
355	A	86.3	Confident	80.9	Confident	104 Å²	104	96.2 Å²	96.2	86%	0.86	50%	0.496	S	S	*	.			trans	-65.4	134.9	168.6	0	0	0	0	0	108.2
356	A	86.8	Confident	80.3	Confident	37 Å²	37	94.2 Å²	94.2	31%	0.306	50%	0.498	S	S	.	.			trans	-144.2	137.1	-179	0	0	0	0	0	108.4	D360 R375	A356-D360 VanDerWaalsContact C-OD2 3.3Å; A356-D360 WeakPolarHBondContact CA-OD2 3.45Å; A356-D360 HydrophobicContact CB-CB 4.02Å; A356-D360 WeakPolarHBondContact CB-OD2 3.47Å; A356-R375 VanDerWaalsContact CB-NH2 3.25Å; A356-R375 PolarHBondContact O-NH2 2.98Å
357	Q	92	Very high	79.6	Confident	113 Å²	113	90.5 Å²	90.5	53%	0.528	48%	0.476	S	S	.	.			trans	-69.1	161.8	179.6	-59.2	-56.9	-27.8	0	0	111.2	E359 D360 R375	Q357-E359 HydrophobicContact CB-CG 4.12Å; Q357-E359 WeakPolarHBondContact CB-OE2 3.03Å; Q357-E359 PolarHBondContact O-N 3Å; Q357-D360 PolarHBondContact N-OD2 3.38Å; Q357-D360 WeakPolarHBondContact O-CB 3.31Å; Q357-D360 PolarHBondContact O-N 2.7Å; Q357-D360 VanDerWaalsContact O-N 3.13Å; Q357-R375 PolarHBondContact O-NH2 3.06Å
358	P	88	Confident	78.6	Confident	114 Å²	114	91.3 Å²	91.3	74%	0.74	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-32.3	174.4	-27.4	36.7	0	0	0	113.8
359	E	92.3	Very high	77.9	Confident	126 Å²	126	96.1 Å²	96.1	59%	0.589	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-4.6	178.3	63	-90.9	-152	0	0	114.8	Q357 H361	Q357-E359 HydrophobicContact CB-CG 4.12Å; Q357-E359 WeakPolarHBondContact CB-OE2 3.03Å; Q357-E359 PolarHBondContact O-N 3Å; E359-H361 PolarHBondContact O-CD2 3.39Å; E359-H361 PolarHBondContact O-N 3.45Å; E359-H361 PolarHBondContact O-NE2 3.09Å
360	D	89.6	Confident	77.4	Confident	67 Å²	67	94.5 Å²	94.5	36%	0.358	50%	0.5	S	S	.	.			trans	-73.8	129.5	177	-72	-18	0	0	0	110.5	A356 Q357 R375	A356-D360 VanDerWaalsContact C-OD2 3.3Å; A356-D360 WeakPolarHBondContact CA-OD2 3.45Å; A356-D360 HydrophobicContact CB-CB 4.02Å; A356-D360 WeakPolarHBondContact CB-OD2 3.47Å; Q357-D360 PolarHBondContact N-OD2 3.38Å; Q357-D360 WeakPolarHBondContact O-CB 3.31Å; Q357-D360 PolarHBondContact O-N 2.7Å; Q357-D360 VanDerWaalsContact O-N 3.13Å; D360-R375 VanDerWaalsContact O-CD 3.29Å; D360-R375 WeakPolarHBondContact O-CD 3.43Å; D360-R375 PolarHBondContact O-NE 3.29Å
361	H	88.4	Confident	77.1	Confident	101 Å²	101	97.5 Å²	97.5	47%	0.468	51%	0.509	S	S	.	.			trans	-109.4	149.1	178.5	-60.4	-68.9	0	0	0	110.8	E359 Y363 D373	E359-H361 PolarHBondContact O-CD2 3.39Å; E359-H361 PolarHBondContact O-N 3.45Å; E359-H361 PolarHBondContact O-NE2 3.09Å; H361-Y363 HydrophobicContact CB-CD2 4.26Å; H361-Y363 HydrophobicContact CB-CE1 4.07Å; H361-Y363 HydrophobicContact CB-CE2 3.44Å; H361-Y363 VanDerWaalsContact CB-CE2 3.44Å; H361-Y363 WeakPolarHBondContact CB-OH 3.42Å; H361-Y363 AromaticContact CG-CZ 3.9Å; H361-Y363 VanDerWaalsContact CG-OH 3.25Å; H361-D373 IonicContact CE1-OD2 3.89Å; H361-D373 IonicContact CG-OD2 3.92Å; H361-D373 IonicContact ND1-OD1 3.99Å; H361-D373 IonicContact ND1-OD2 2.67Å; H361-D373 PolarHBondContact ND1-OD2 2.74Å
362	I	82.8	Confident	76.8	Confident	60 Å²	60	99.7 Å²	99.7	31%	0.308	52%	0.522	S	S	.	.			trans	-116.7	120.1	176.9	-58.5	178.8	0	0	0	108.2	D373 L374 F379	I362-D373 PolarHBondContact N-OD1 2.99Å; I362-L374 HydrophobicContact CB-CB 4.09Å; I362-L374 HydrophobicContact CG2-CB 4.02Å; I362-L374 WeakPolarHBondContact O-CB 3.49Å; I362-L374 PolarHBondContact O-N 3.39Å; I362-F379 HydrophobicContact CG2-CE1 3.98Å; I362-F379 HydrophobicContact CG2-CZ 3.79Å
363	Y	80.3	Confident	77	Confident	117 Å²	117	98.1 Å²	98.1	46%	0.459	51%	0.514	S	S	.	.			trans	-122.3	153	-178.8	-55.6	-63.3	0	0	0	110.8	H361 F372 D373	H361-Y363 HydrophobicContact CB-CD2 4.26Å; H361-Y363 HydrophobicContact CB-CE1 4.07Å; H361-Y363 HydrophobicContact CB-CE2 3.44Å; H361-Y363 VanDerWaalsContact CB-CE2 3.44Å; H361-Y363 WeakPolarHBondContact CB-OH 3.42Å; H361-Y363 AromaticContact CG-CZ 3.9Å; H361-Y363 VanDerWaalsContact CG-OH 3.25Å; Y363-F372 HydrophobicContact CD1-CD1 4.34Å; Y363-F372 HydrophobicContact CD1-CE1 4.11Å; Y363-F372 HydrophobicContact CD1-CE2 4.46Å; Y363-F372 HydrophobicContact CD1-CZ 4.17Å; Y363-F372 WeakPolarHBondContact CD1-O 3.35Å; Y363-F372 AromaticContact CE1-CD1 3.64Å; Y363-F372 HydrophobicContact CE1-CD1 3.64Å; Y363-F372 AromaticContact CE1-CE1 3.37Å; Y363-F372 HydrophobicContact CE1-CE1 3.37Å; Y363-F372 HydrophobicContact CE1-CE2 4.49Å; Y363-F372 HydrophobicContact CE1-CG 4.32Å; Y363-F372 AromaticContact CE1-CZ 3.85Å; Y363-F372 HydrophobicContact CE1-CZ 3.85Å; Y363-F372 AromaticContact CZ-CE1 3.91Å; Y363-D373 HydrophobicContact CE1-CB 4.29Å
364	G	71.7	Confident	76.9	Confident	49 Å²	49	86.6 Å²	86.6	51%	0.505	47%	0.471	S	S	.	.			trans	95.6	-130.9	174.1	0	0	0	0	0	113.1	G366 E367 L374	G364-G366 PolarHBondContact O-N 3.39Å; G364-E367 PolarHBondContact O-N 3.26Å; G364-L374 WeakPolarHBondContact O-CD1 3.39Å
365	C	66	Low	77.1	Confident	33 Å²	33	84.7 Å²	84.7	22%	0.223	46%	0.455	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.5	19.6	-179.9	-53.1	0	0	0	0	114.9	E367 L374 F379	C365-E367 VanDerWaalsContact C-N 3.33Å; C365-E367 PolarHBondContact O-N 3.32Å; C365-L374 HydrophobicContact CB-CD1 4.06Å; C365-F379 HydrophobicContact CB-CD2 3.55Å; C365-F379 HydrophobicContact CB-CE2 3.23Å; C365-F379 HydrophobicContact CB-CZ 4.13Å; C365-F379 WeakPolarHBondContact SG-CE2 3.31Å
366	G	58.8	Low	76.8	Confident	52 Å²	52	83.4 Å²	83.4	54%	0.536	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.1	-7.7	175.6	0	0	0	0	0	115.8	G364 Q368 T383	G364-G366 PolarHBondContact O-N 3.39Å; G366-Q368 PolarHBondContact O-N 3.17Å; G366-T383 WeakPolarHBondContact CA-OG1 3.4Å; G366-T383 PolarHBondContact O-OG1 2.88Å
367	E	54.6	Low	76.4	Confident	58 Å²	58	85.7 Å²	85.7	27%	0.271	45%	0.454	S	S	.	.			trans	-63.2	135.2	-169.4	-171.2	177.6	150.5	0	0	113.4	G364 C365 S370 Y371 L374 T383	G364-E367 PolarHBondContact O-N 3.26Å; C365-E367 VanDerWaalsContact C-N 3.33Å; C365-E367 PolarHBondContact O-N 3.32Å; E367-S370 WeakPolarHBondContact OE1-CB 3.25Å; E367-Y371 WeakPolarHBondContact OE1-CD2 3.24Å; E367-Y371 PolarHBondContact OE1-N 3.16Å; E367-L374 HydrophobicContact CB-CD2 4.43Å; E367-L374 WeakPolarHBondContact OE2-CD2 3.19Å; E367-T383 PolarHBondContact N-OG1 2.76Å
368	Q	55.7	Low	75.5	Confident	63 Å²	63	86.6 Å²	86.6	29%	0.294	47%	0.47	S	S	.	.			trans	-86.3	112.4	170.6	-74.9	174.9	-22.9	0	0	111.8	G366 S370	G366-Q368 PolarHBondContact O-N 3.17Å; Q368-S370 PolarHBondContact O-N 2.95Å
369	F	56.8	Low	74.4	Confident	192 Å²	192	84 Å²	84	84%	0.842	45%	0.447	S	S	*	.	S	Bend	trans	51.7	-7.1	153.6	-58.8	-72.4	0	0	0	121
370	S	66.4	Low	73	Confident	61 Å²	61	82.1 Å²	82.1	43%	0.427	45%	0.446	S	S	.	.	S	Bend	trans	-78.5	-42.2	-176.6	-61.1	0	0	0	0	111.9	E367 Q368	E367-S370 WeakPolarHBondContact OE1-CB 3.25Å; Q368-S370 PolarHBondContact O-N 2.95Å
371	Y	70.6	Confident	71.7	Confident	121 Å²	121	84.3 Å²	84.3	48%	0.475	46%	0.457	S	S	.	.			trans	-129.8	131.1	173.6	-56.8	-76.8	0	0	0	110.4	E367 K377	E367-Y371 WeakPolarHBondContact OE1-CD2 3.24Å; E367-Y371 PolarHBondContact OE1-N 3.16Å; Y371-K377 VanDerWaalsContact CE1-NZ 3.3Å; Y371-K377 HydrophobicContact CE2-CD 4.49Å
372	F	78.9	Confident	70.1	Confident	169 Å²	169	88.5 Å²	88.5	74%	0.741	47%	0.469	S	S	*	.	S	Bend	trans	-74.2	-47	169.9	-177.7	-113.7	0	0	0	110.1	Y363	Y363-F372 HydrophobicContact CD1-CD1 4.34Å; Y363-F372 HydrophobicContact CD1-CE1 4.11Å; Y363-F372 HydrophobicContact CD1-CE2 4.46Å; Y363-F372 HydrophobicContact CD1-CZ 4.17Å; Y363-F372 WeakPolarHBondContact CD1-O 3.35Å; Y363-F372 AromaticContact CE1-CD1 3.64Å; Y363-F372 HydrophobicContact CE1-CD1 3.64Å; Y363-F372 AromaticContact CE1-CE1 3.37Å; Y363-F372 HydrophobicContact CE1-CE1 3.37Å; Y363-F372 HydrophobicContact CE1-CE2 4.49Å; Y363-F372 HydrophobicContact CE1-CG 4.32Å; Y363-F372 AromaticContact CE1-CZ 3.85Å; Y363-F372 HydrophobicContact CE1-CZ 3.85Å; Y363-F372 AromaticContact CZ-CE1 3.91Å
373	D	85.9	Confident	68.7	Low	49 Å²	49	88 Å²	88	26%	0.262	47%	0.468	S	S	.	.			trans	-100.7	118	175.2	-177.3	10.8	0	0	0	110.6	H361 I362 Y363 R375	H361-D373 IonicContact CE1-OD2 3.89Å; H361-D373 IonicContact CG-OD2 3.92Å; H361-D373 IonicContact ND1-OD1 3.99Å; H361-D373 IonicContact ND1-OD2 2.67Å; H361-D373 PolarHBondContact ND1-OD2 2.74Å; I362-D373 PolarHBondContact N-OD1 2.99Å; Y363-D373 HydrophobicContact CE1-CB 4.29Å; D373-R375 PolarHBondContact O-N 3.07Å; D373-R375 WeakPolarHBondContact OD1-CB 3.17Å; D373-R375 PolarHBondContact OD1-N 3.16Å
374	L	81.3	Confident	67.5	Low	2 Å²	2	84.7 Å²	84.7	1%	0.01	46%	0.463	C	S	.	.			trans	-85.2	4.2	-179.9	-52.6	-174.2	0	0	0	112.7	I362 G364 C365 E367 G376 K377 F379	I362-L374 HydrophobicContact CB-CB 4.09Å; I362-L374 HydrophobicContact CG2-CB 4.02Å; I362-L374 WeakPolarHBondContact O-CB 3.49Å; I362-L374 PolarHBondContact O-N 3.39Å; G364-L374 WeakPolarHBondContact O-CD1 3.39Å; C365-L374 HydrophobicContact CB-CD1 4.06Å; E367-L374 HydrophobicContact CB-CD2 4.43Å; E367-L374 WeakPolarHBondContact OE2-CD2 3.19Å; L374-G376 PolarHBondContact O-N 2.93Å; L374-K377 WeakPolarHBondContact O-CB 3.34Å; L374-K377 PolarHBondContact O-N 2.68Å; L374-F379 HydrophobicContact CB-CD1 3.74Å; L374-F379 HydrophobicContact CB-CE1 3.6Å; L374-F379 HydrophobicContact CB-CZ 4.4Å; L374-F379 HydrophobicContact CD1-CD1 3.95Å; L374-F379 HydrophobicContact CD1-CD2 4.14Å; L374-F379 HydrophobicContact CD1-CE1 3.97Å; L374-F379 HydrophobicContact CD1-CE2 4.22Å; L374-F379 HydrophobicContact CD1-CG 4.05Å; L374-F379 HydrophobicContact CD1-CZ 4.11Å; L374-F379 HydrophobicContact CG-CD1 4.39Å; L374-F379 HydrophobicContact CG-CE1 4.43Å
375	R	85.9	Confident	66.7	Low	91 Å²	91	89.3 Å²	89.3	34%	0.343	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	122.8	177.4	-173.2	62.6	166.6	161.9	-2	111.4	A356 Q357 D360 D373 K377	A356-R375 VanDerWaalsContact CB-NH2 3.25Å; A356-R375 PolarHBondContact O-NH2 2.98Å; Q357-R375 PolarHBondContact O-NH2 3.06Å; D360-R375 VanDerWaalsContact O-CD 3.29Å; D360-R375 WeakPolarHBondContact O-CD 3.43Å; D360-R375 PolarHBondContact O-NE 3.29Å; D373-R375 PolarHBondContact O-N 3.07Å; D373-R375 WeakPolarHBondContact OD1-CB 3.17Å; D373-R375 PolarHBondContact OD1-N 3.16Å; R375-K377 VanDerWaalsContact C-N 3.26Å; R375-K377 PolarHBondContact O-N 3.16Å
376	G	80.6	Confident	66.3	Low	77 Å²	77	92.5 Å²	92.5	79%	0.794	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.5	4.6	179.1	0	0	0	0	0	115.1	L374	L374-G376 PolarHBondContact O-N 2.93Å
377	K	76.6	Confident	66.4	Low	84 Å²	84	90.7 Å²	90.7	37%	0.365	46%	0.464	S	S	.	.			trans	-93.4	136	176.7	-55.7	-63.9	-176.1	170.9	0	110.5	Y371 L374 R375 F379	Y371-K377 VanDerWaalsContact CE1-NZ 3.3Å; Y371-K377 HydrophobicContact CE2-CD 4.49Å; L374-K377 WeakPolarHBondContact O-CB 3.34Å; L374-K377 PolarHBondContact O-N 2.68Å; R375-K377 VanDerWaalsContact C-N 3.26Å; R375-K377 PolarHBondContact O-N 3.16Å; K377-F379 HydrophobicContact CB-CD1 4.39Å; K377-F379 WeakPolarHBondContact O-CD1 3.22Å; K377-F379 PolarHBondContact O-N 3.48Å
378	P	73.3	Confident	67.1	Low	133 Å²	133	92.1 Å²	92.1	86%	0.864	48%	0.476	S	S	*	.			trans	-79.9	105	166.3	30.9	-29.8	0	0	0	109.3
379	F	65.6	Low	67.8	Low	59 Å²	59	90.5 Å²	90.5	26%	0.259	48%	0.476	S	S	.	.			trans	-126.4	142.8	-179.5	64.9	-94	0	0	0	111.5	I362 C365 L374 K377	I362-F379 HydrophobicContact CG2-CE1 3.98Å; I362-F379 HydrophobicContact CG2-CZ 3.79Å; C365-F379 HydrophobicContact CB-CD2 3.55Å; C365-F379 HydrophobicContact CB-CE2 3.23Å; C365-F379 HydrophobicContact CB-CZ 4.13Å; C365-F379 WeakPolarHBondContact SG-CE2 3.31Å; L374-F379 HydrophobicContact CB-CD1 3.74Å; L374-F379 HydrophobicContact CB-CE1 3.6Å; L374-F379 HydrophobicContact CB-CZ 4.4Å; L374-F379 HydrophobicContact CD1-CD1 3.95Å; L374-F379 HydrophobicContact CD1-CD2 4.14Å; L374-F379 HydrophobicContact CD1-CE1 3.97Å; L374-F379 HydrophobicContact CD1-CE2 4.22Å; L374-F379 HydrophobicContact CD1-CG 4.05Å; L374-F379 HydrophobicContact CD1-CZ 4.11Å; L374-F379 HydrophobicContact CG-CD1 4.39Å; L374-F379 HydrophobicContact CG-CE1 4.43Å; K377-F379 HydrophobicContact CB-CD1 4.39Å; K377-F379 WeakPolarHBondContact O-CD1 3.22Å; K377-F379 PolarHBondContact O-N 3.48Å
380	P	62.7	Low	68.4	Low	86 Å²	86	85.3 Å²	85.3	56%	0.558	45%	0.451	S	S	*	.			trans	-76.3	143.2	169.7	29.8	-29.4	0	0	0	110.3	W382 T383	P380-W382 PolarHBondContact O-N 3.45Å; P380-T383 HydrophobicContact CG-CG2 4.2Å; P380-T383 WeakPolarHBondContact O-CG2 3.4Å
381	L	62.1	Low	68.9	Low	113 Å²	113	85.4 Å²	85.4	59%	0.592	45%	0.447	S	S	*	.	S	Bend	trans	-71.2	-14.3	-178.8	-147.3	100.8	0	0	0	113.5
382	W	55.5	Low	69.2	Low	190 Å²	190	83.9 Å²	83.9	72%	0.72	44%	0.443	S	S	*	.	S	Bend	trans	-118.9	109.4	-180	-54.4	100.6	0	0	0	107.9	P380	P380-W382 PolarHBondContact O-N 3.45Å
383	T	53.5	Low	69.3	Low	48 Å²	48	84.3 Å²	84.3	29%	0.294	45%	0.447	S	S	.	.			trans	-120.5	156.3	-178.5	58.2	0	0	0	0	111.5	G366 E367 P380	G366-T383 WeakPolarHBondContact CA-OG1 3.4Å; G366-T383 PolarHBondContact O-OG1 2.88Å; E367-T383 PolarHBondContact N-OG1 2.76Å; P380-T383 HydrophobicContact CG-CG2 4.2Å; P380-T383 WeakPolarHBondContact O-CG2 3.4Å
384	S	54.9	Low	69.3	Low	49 Å²	49	84.5 Å²	84.5	34%	0.343	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-83.1	163.9	-170.6	59.9	0	0	0	0	114.2	G286	G286-S384 WeakPolarHBondContact O-CA 3.46Å; G286-S384 WeakPolarHBondContact O-CB 3.08Å
385	E	54.6	Low	69.5	Low	146 Å²	146	91.7 Å²	91.7	68%	0.682	48%	0.478	S	S	*	.	P	Polyproline II helix	trans	-66.6	164	157.4	-71.6	-168.6	163.5	0	0	110.7	G387	E385-G387 PolarHBondContact O-N 3.33Å
386	Q	57.3	Low	69.4	Low	100 Å²	100	91.1 Å²	91.1	47%	0.467	49%	0.485	S	S	.	.	P	Polyproline II helix	trans	-69.1	123.8	177.5	-69.2	-165.4	12.7	0	0	109.5	R390	Q386-R390 VanDerWaalsContact CD-NH2 3.35Å
387	G	61.4	Low	69.4	Low	13 Å²	13	87.4 Å²	87.4	13%	0.134	45%	0.447	C	S	.	.	P	Polyproline II helix	trans	-65	156.6	158.5	0	0	0	0	0	111.8	E385 G389 A406	E385-G387 PolarHBondContact O-N 3.33Å; G387-G389 PolarHBondContact O-N 2.96Å; G387-A406 CarbonylContact C-O 3.52Å; G387-A406 VanDerWaalsContact C-O 3.23Å; G387-A406 WeakPolarHBondContact CA-O 3.02Å
388	V	68.6	Low	69.7	Low	88 Å²	88	90 Å²	90	53%	0.533	45%	0.454	S	S	.	.	S	Bend	trans	-76	112.3	177	179.1	0	0	0	0	109.9	V396 A400 A406	V388-V396 HydrophobicContact CG1-CG1 3.78Å; V388-A400 HydrophobicContact CB-CB 3.98Å; V388-A400 HydrophobicContact CG1-CB 4.5Å; V388-A406 PolarHBondContact N-O 3.32Å
389	G	70.7	Confident	70.4	Confident	29 Å²	29	87 Å²	87	30%	0.299	43%	0.429	S	S	.	.			trans	79.8	153.3	-174.2	0	0	0	0	0	112.3	G387 T397 G408	G387-G389 PolarHBondContact O-N 2.96Å; G389-T397 WeakPolarHBondContact CA-OG1 3.33Å; G389-G408 WeakPolarHBondContact O-CA 3.26Å; G389-G408 PolarHBondContact O-N 2.83Å
390	R	69.7	Low	71.1	Confident	83 Å²	83	84.9 Å²	84.9	31%	0.313	42%	0.423	S	S	.	.	S	Bend	trans	-125.5	-21.8	178.1	-62.6	-176.1	-173.3	-173.2	-1.5	113.6	Q386 K392 Y410	Q386-R390 VanDerWaalsContact CD-NH2 3.35Å; R390-K392 PolarHBondContact O-N 3.06Å; R390-Y410 HydrophobicContact CB-CD2 4.15Å; R390-Y410 HydrophobicContact CB-CE1 4.41Å; R390-Y410 HydrophobicContact CB-CE2 3.92Å; R390-Y410 VanDerWaalsContact O-CD2 3.25Å; R390-Y410 WeakPolarHBondContact O-CD2 3.25Å; R390-Y410 WeakPolarHBondContact O-CE2 3.5Å
391	N	77.6	Confident	71.7	Confident	64 Å²	64	82.8 Å²	82.8	34%	0.342	41%	0.407	S	S	.	.			trans	-86	106.3	177.4	-178.1	-6	0	0	0	108.8	Q393 T394 T397 Y410	N391-Q393 PolarHBondContact O-N 2.99Å; N391-Q393 VanDerWaalsContact OD1-CB 3.25Å; N391-Q393 WeakPolarHBondContact OD1-CB 3.5Å; N391-Q393 WeakPolarHBondContact OD1-CG 3.39Å; N391-Q393 PolarHBondContact OD1-N 2.65Å; N391-T394 HydrophobicContact CB-CG2 3.82Å; N391-T394 PolarHBondContact O-N 3.14Å; N391-T394 PolarHBondContact O-OG1 2.88Å; N391-T397 VanDerWaalsContact O-CB 3.26Å; N391-T397 WeakPolarHBondContact O-CB 3.5Å; N391-T397 PolarHBondContact O-OG1 2.69Å; N391-Y410 HydrophobicContact CB-CE2 4.37Å
392	K	76.3	Confident	72.5	Confident	88 Å²	88	81.4 Å²	81.4	38%	0.383	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-12.3	177.7	-64.7	-63.4	-176.6	-169.8	0	114.2	R390 T397 D401 G408 D409	R390-K392 PolarHBondContact O-N 3.06Å; K392-T397 HydrophobicContact CD-CG2 3.82Å; K392-D401 WeakPolarHBondContact CD-OD2 3.37Å; K392-D401 IonicContact NZ-OD1 3.01Å; K392-D401 PolarHBondContact NZ-OD1 2.87Å; K392-D401 IonicContact NZ-OD2 2.85Å; K392-D401 PolarHBondContact NZ-OD2 3.46Å; K392-G408 WeakPolarHBondContact CE-O 3.35Å; K392-G408 PolarHBondContact NZ-O 2.95Å; K392-D409 WeakPolarHBondContact CE-OD1 3.18Å; K392-D409 IonicContact NZ-OD1 3.28Å; K392-D409 PolarHBondContact NZ-OD1 3.22Å; K392-D409 IonicContact NZ-OD2 3.86Å
393	Q	81.7	Confident	73.5	Confident	179 Å²	179	79.9 Å²	79.9	84%	0.836	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-8.3	174.6	-55.6	-179.1	-3.6	0	0	113.5	N391	N391-Q393 PolarHBondContact O-N 2.99Å; N391-Q393 VanDerWaalsContact OD1-CB 3.25Å; N391-Q393 WeakPolarHBondContact OD1-CB 3.5Å; N391-Q393 WeakPolarHBondContact OD1-CG 3.39Å; N391-Q393 PolarHBondContact OD1-N 2.65Å
394	T	84.9	Confident	74.2	Confident	53 Å²	53	81.9 Å²	81.9	33%	0.325	41%	0.41	S	S	.	.	S	Bend	trans	-90	143.3	179.8	67.8	0	0	0	0	111	N391 V396 T397 W398	N391-T394 HydrophobicContact CB-CG2 3.82Å; N391-T394 PolarHBondContact O-N 3.14Å; N391-T394 PolarHBondContact O-OG1 2.88Å; T394-V396 PolarHBondContact O-N 3.01Å; T394-T397 PolarHBondContact O-N 3.12Å; T394-T397 PolarHBondContact OG1-N 3.33Å; T394-T397 PolarHBondContact OG1-OG1 3.27Å; T394-W398 PolarHBondContact O-N 3.12Å
395	Y	85.5	Confident	74.8	Confident	152 Å²	152	84 Å²	84	60%	0.596	42%	0.417	S	S	*	.	H	α-helix	trans	-57	-32.9	175.5	-177.4	-102.9	0	0	0	112.4	W398 Q399	Y395-W398 AromaticContact CD2-CE3 3.72Å; Y395-W398 HydrophobicContact CD2-CE3 3.72Å; Y395-W398 HydrophobicContact CD2-CZ3 4Å; Y395-W398 AromaticContact CE2-CE3 3.6Å; Y395-W398 HydrophobicContact CE2-CE3 3.6Å; Y395-W398 HydrophobicContact CE2-CH2 4.48Å; Y395-W398 AromaticContact CE2-CZ3 3.38Å; Y395-W398 HydrophobicContact CE2-CZ3 3.38Å; Y395-Q399 HydrophobicContact CE1-CB 4.47Å; Y395-Q399 WeakPolarHBondContact O-CB 3.44Å; Y395-Q399 PolarHBondContact O-N 2.97Å
396	V	84.5	Confident	75.5	Confident	79 Å²	79	77.9 Å²	77.9	48%	0.479	39%	0.392	S	S	.	.	H	α-helix	trans	-62.9	-53.4	177.8	174.8	0	0	0	0	111.1	V388 T394 W398 Q399 A400	V388-V396 HydrophobicContact CG1-CG1 3.78Å; T394-V396 PolarHBondContact O-N 3.01Å; V396-W398 VanDerWaalsContact C-N 3.35Å; V396-W398 PolarHBondContact O-N 3.2Å; V396-Q399 PolarHBondContact O-N 3.02Å; V396-A400 WeakPolarHBondContact O-CB 3.22Å; V396-A400 PolarHBondContact O-N 2.89Å
397	T	81.1	Confident	76.1	Confident	0 Å²	0	73.3 Å²	73.3	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-63.4	-43.2	178.4	-43.8	0	0	0	0	110.8	G389 N391 K392 T394 Q399 A400 D401	G389-T397 WeakPolarHBondContact CA-OG1 3.33Å; N391-T397 VanDerWaalsContact O-CB 3.26Å; N391-T397 WeakPolarHBondContact O-CB 3.5Å; N391-T397 PolarHBondContact O-OG1 2.69Å; K392-T397 HydrophobicContact CD-CG2 3.82Å; T394-T397 PolarHBondContact O-N 3.12Å; T394-T397 PolarHBondContact OG1-N 3.33Å; T394-T397 PolarHBondContact OG1-OG1 3.27Å; T397-Q399 PolarHBondContact O-N 2.89Å; T397-A400 PolarHBondContact O-N 3.28Å; T397-D401 WeakPolarHBondContact O-CB 3.01Å; T397-D401 PolarHBondContact O-N 3.24Å
398	W	83.3	Confident	76.2	Confident	137 Å²	137	73.1 Å²	73.1	52%	0.519	37%	0.369	S	S	.	.	H	α-helix	trans	-59.2	-44.2	176.6	172.9	81.5	0	0	0	112.3	T394 Y395 V396 D401 C402	T394-W398 PolarHBondContact O-N 3.12Å; Y395-W398 AromaticContact CD2-CE3 3.72Å; Y395-W398 HydrophobicContact CD2-CE3 3.72Å; Y395-W398 HydrophobicContact CD2-CZ3 4Å; Y395-W398 AromaticContact CE2-CE3 3.6Å; Y395-W398 HydrophobicContact CE2-CE3 3.6Å; Y395-W398 HydrophobicContact CE2-CH2 4.48Å; Y395-W398 AromaticContact CE2-CZ3 3.38Å; Y395-W398 HydrophobicContact CE2-CZ3 3.38Å; V396-W398 VanDerWaalsContact C-N 3.35Å; V396-W398 PolarHBondContact O-N 3.2Å; W398-D401 PolarHBondContact O-N 3.36Å; W398-C402 VanDerWaalsContact CE2-SG 3.52Å; W398-C402 PolarHBondContact NE1-SG 3.39Å; W398-C402 WeakPolarHBondContact O-CB 2.69Å; W398-C402 PolarHBondContact O-N 2.9Å; W398-C402 PolarHBondContact O-SG 2.89Å
399	Q	86.8	Confident	76	Confident	70 Å²	70	74.5 Å²	74.5	33%	0.327	37%	0.374	S	S	.	.	H	α-helix	trans	-69.9	-38.2	-179.6	-170.4	175.3	27.6	0	0	111.8	Y395 V396 T397 C402 K403	Y395-Q399 HydrophobicContact CE1-CB 4.47Å; Y395-Q399 WeakPolarHBondContact O-CB 3.44Å; Y395-Q399 PolarHBondContact O-N 2.97Å; V396-Q399 PolarHBondContact O-N 3.02Å; T397-Q399 PolarHBondContact O-N 2.89Å; Q399-C402 PolarHBondContact O-N 2.76Å; Q399-K403 WeakPolarHBondContact O-CB 3.37Å; Q399-K403 PolarHBondContact O-N 2.94Å
400	A	80.6	Confident	75.4	Confident	16 Å²	16	84 Å²	84	13%	0.132	40%	0.402	C	S	.	.	H	α-helix	trans	-63.8	-43.9	174.3	0	0	0	0	0	111.5	V388 V396 T397 E404 N405 A406	V388-A400 HydrophobicContact CB-CB 3.98Å; V388-A400 HydrophobicContact CG1-CB 4.5Å; V396-A400 WeakPolarHBondContact O-CB 3.22Å; V396-A400 PolarHBondContact O-N 2.89Å; T397-A400 PolarHBondContact O-N 3.28Å; A400-E404 CarbonylContact O-C 3.23Å; A400-E404 PolarHBondContact O-N 3.03Å; A400-N405 PolarHBondContact O-N 3.42Å; A400-N405 VanDerWaalsContact O-N 3.16Å; A400-A406 PolarHBondContact O-N 3.33Å; A400-A406 VanDerWaalsContact O-N 3.07Å
401	D	76.1	Confident	75.7	Confident	42 Å²	42	84 Å²	84	23%	0.225	41%	0.406	C	S	.	.	H	α-helix	trans	-60.5	-49.8	173.1	-75.6	-24.8	0	0	0	111	K392 T397 W398 K403 N405 G407	K392-D401 WeakPolarHBondContact CD-OD2 3.37Å; K392-D401 IonicContact NZ-OD1 3.01Å; K392-D401 PolarHBondContact NZ-OD1 2.87Å; K392-D401 IonicContact NZ-OD2 2.85Å; K392-D401 PolarHBondContact NZ-OD2 3.46Å; T397-D401 WeakPolarHBondContact O-CB 3.01Å; T397-D401 PolarHBondContact O-N 3.24Å; W398-D401 PolarHBondContact O-N 3.36Å; D401-K403 PolarHBondContact O-N 2.85Å; D401-N405 WeakPolarHBondContact O-CA 3.43Å; D401-N405 PolarHBondContact O-N 3.26Å; D401-G407 WeakPolarHBondContact OD1-CA 3.4Å; D401-G407 PolarHBondContact OD1-N 3.47Å
402	C	77.3	Confident	75.6	Confident	83 Å²	83	85.1 Å²	85.1	56%	0.561	41%	0.41	S	S	*	.	H	α-helix	trans	-67.8	-35.6	-176	-76.4	0	0	0	0	114.6	W398 Q399	W398-C402 VanDerWaalsContact CE2-SG 3.52Å; W398-C402 PolarHBondContact NE1-SG 3.39Å; W398-C402 WeakPolarHBondContact O-CB 2.69Å; W398-C402 PolarHBondContact O-N 2.9Å; W398-C402 PolarHBondContact O-SG 2.89Å; Q399-C402 PolarHBondContact O-N 2.76Å
403	K	76.7	Confident	75.5	Confident	158 Å²	158	84.9 Å²	84.9	69%	0.687	41%	0.411	S	S	*	.	H	α-helix	trans	-89	-40.8	-176.5	-77.6	-161.5	170.5	-171	0	113.2	Q399 D401	Q399-K403 WeakPolarHBondContact O-CB 3.37Å; Q399-K403 PolarHBondContact O-N 2.94Å; D401-K403 PolarHBondContact O-N 2.85Å
404	E	68.3	Low	75.1	Confident	90 Å²	90	79.4 Å²	79.4	42%	0.421	39%	0.386	S	S	.	.	H	α-helix	trans	-138	11.8	-164	-54	-165.5	163.1	0	0	112.3	F284 R285 A400 A406	F284-E404 WeakPolarHBondContact CE1-O 3.25Å; R285-E404 IonicContact CZ-OE2 2.77Å; R285-E404 VanDerWaalsContact NH1-CD 3.3Å; R285-E404 IonicContact NH1-OE1 3.12Å; R285-E404 IonicContact NH1-OE2 3.29Å; R285-E404 PolarHBondContact NH1-OE2 3.03Å; A400-E404 CarbonylContact O-C 3.23Å; A400-E404 PolarHBondContact O-N 3.03Å; E404-A406 HydrophobicContact CB-CB 3.9Å; E404-A406 WeakPolarHBondContact O-CB 3.45Å; E404-A406 PolarHBondContact O-N 3.49Å
405	N	68.8	Low	74.5	Confident	94 Å²	94	81 Å²	81	50%	0.503	39%	0.39	S	S	.	.	S	Bend	trans	45.2	38.9	-175.2	-163.6	42.4	0	0	0	112.2	F284 N287 A400 D401	F284-N405 HydrophobicContact CD1-CB 4.1Å; F284-N405 HydrophobicContact CE1-CB 4.42Å; N287-N405 PolarHBondContact ND2-O 2.98Å; A400-N405 PolarHBondContact O-N 3.42Å; A400-N405 VanDerWaalsContact O-N 3.16Å; D401-N405 WeakPolarHBondContact O-CA 3.43Å; D401-N405 PolarHBondContact O-N 3.26Å
406	A	69.2	Low	73.8	Confident	17 Å²	17	76.3 Å²	76.3	14%	0.14	38%	0.376	C	S	.	.			trans	-120.6	16.2	-165.8	0	0	0	0	0	111.8	G387 V388 A400 E404	G387-A406 CarbonylContact C-O 3.52Å; G387-A406 VanDerWaalsContact C-O 3.23Å; G387-A406 WeakPolarHBondContact CA-O 3.02Å; V388-A406 PolarHBondContact N-O 3.32Å; A400-A406 PolarHBondContact O-N 3.33Å; A400-A406 VanDerWaalsContact O-N 3.07Å; E404-A406 HydrophobicContact CB-CB 3.9Å; E404-A406 WeakPolarHBondContact O-CB 3.45Å; E404-A406 PolarHBondContact O-N 3.49Å
407	G	69.4	Low	73.1	Confident	4 Å²	4	76.1 Å²	76.1	4%	0.041	37%	0.369	C	S	.	.			trans	-78.6	138.5	170.2	0	0	0	0	0	110.1	D401	D401-G407 WeakPolarHBondContact OD1-CA 3.4Å; D401-G407 PolarHBondContact OD1-N 3.47Å
408	G	63.2	Low	72.4	Confident	9 Å²	9	81.9 Å²	81.9	9%	0.093	40%	0.398	C	S	.	.			trans	-74.1	158.3	176.6	0	0	0	0	0	112.2	G389 K392	G389-G408 WeakPolarHBondContact O-CA 3.26Å; G389-G408 PolarHBondContact O-N 2.83Å; K392-G408 WeakPolarHBondContact CE-O 3.35Å; K392-G408 PolarHBondContact NZ-O 2.95Å
409	D	64.7	Low	71.5	Confident	117 Å²	117	77.3 Å²	77.3	63%	0.626	39%	0.387	S	S	*	.			trans	-109.5	161.9	168.4	-78.2	-54.1	0	0	0	110.2	K392	K392-D409 WeakPolarHBondContact CE-OD1 3.18Å; K392-D409 IonicContact NZ-OD1 3.28Å; K392-D409 PolarHBondContact NZ-OD1 3.22Å; K392-D409 IonicContact NZ-OD2 3.86Å
410	Y	57.2	Low	70.1	Confident	228 Å²	228	78 Å²	78	89%	0.894	39%	0.393	S	S	*	.			trans	-85.8	0	174.8	-91.9	-75.5	0	0	0	112.8	R390 N391	R390-Y410 HydrophobicContact CB-CD2 4.15Å; R390-Y410 HydrophobicContact CB-CE1 4.41Å; R390-Y410 HydrophobicContact CB-CE2 3.92Å; R390-Y410 VanDerWaalsContact O-CD2 3.25Å; R390-Y410 WeakPolarHBondContact O-CD2 3.25Å; R390-Y410 WeakPolarHBondContact O-CE2 3.5Å; N391-Y410 HydrophobicContact CB-CE2 4.37Å

Retrieved 410 of 410 residues in 464.8 ms (Link to these results)

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