A0A087XZC2_POEFO Loading...

Cytochrome P450, family 7, subfamily B, polypeptide 1

AlphaFold DB , UniProt , Accession A0A087XZC2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 496 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	56	Low	81.1	Confident	217 Å²	217	118.1 Å²	118.1	100%	1.069	63%	0.634	S	S	*	*				0	-15.4	0	-76.3	175.8	72.4	0	0	114.8
2	S	69.5	Low	81.7	Confident	98 Å²	98	116.5 Å²	116.5	69%	0.685	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.3	-28.5	-174.5	-169	0	0	0	0	116	P6	S2-P6 WeakPolarHBondContact O-CD 3.25Å; S2-P6 WeakPolarHBondContact O-CG 3.35Å
3	F	71.9	Confident	81.9	Confident	187 Å²	187	115.5 Å²	115.5	82%	0.82	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.1	-15.2	-177.3	-75.8	-80.9	0	0	0	115.5	L7	F3-L7 WeakPolarHBondContact O-CB 3.29Å
4	L	78.9	Confident	81.8	Confident	122 Å²	122	110 Å²	110	64%	0.639	60%	0.602	S	S	*	*	H	α-helix	trans	-78.3	-36.5	-177.4	-79.5	160.4	0	0	0	112.3	L8	L4-L8 WeakPolarHBondContact O-CB 3.43Å; L4-L8 PolarHBondContact O-N 2.82Å
5	L	85.1	Confident	81.4	Confident	114 Å²	114	109.1 Å²	109.1	60%	0.597	60%	0.596	S	S	*	*	H	α-helix	trans	-67.9	-45.7	-178.9	-174.4	68.7	0	0	0	113	L7 L8 I9	L5-L7 VanDerWaalsContact C-N 3.33Å; L5-L7 PolarHBondContact O-N 3.17Å; L5-L8 PolarHBondContact O-N 2.71Å; L5-I9 HydrophobicContact CD1-CD1 4.31Å; L5-I9 HydrophobicContact CG-CD1 3.98Å; L5-I9 WeakPolarHBondContact O-CB 3.43Å; L5-I9 VanDerWaalsContact O-CG1 3.25Å; L5-I9 WeakPolarHBondContact O-CG1 3.27Å; L5-I9 PolarHBondContact O-N 3.31Å
6	P	87.2	Confident	81.1	Confident	75 Å²	75	107.9 Å²	107.9	49%	0.487	59%	0.588	S	S	.	*	H	α-helix	trans	-65.2	-36	175.8	-18.2	30.8	0	0	0	112.6	S2 I9 S10	S2-P6 WeakPolarHBondContact O-CD 3.25Å; S2-P6 WeakPolarHBondContact O-CG 3.35Å; P6-I9 PolarHBondContact O-N 2.79Å; P6-S10 VanDerWaalsContact O-CB 3.29Å; P6-S10 WeakPolarHBondContact O-CB 3.5Å; P6-S10 PolarHBondContact O-N 3.42Å
7	L	89	Confident	80.6	Confident	106 Å²	106	108.6 Å²	108.6	56%	0.555	58%	0.584	S	S	*	*	H	α-helix	trans	-65.1	-44.4	175.7	-169.7	80.3	0	0	0	111	F3 L5 S10 L11	F3-L7 WeakPolarHBondContact O-CB 3.29Å; L5-L7 VanDerWaalsContact C-N 3.33Å; L5-L7 PolarHBondContact O-N 3.17Å; L7-S10 PolarHBondContact O-N 3.25Å; L7-L11 HydrophobicContact CG-CD1 4.22Å; L7-L11 WeakPolarHBondContact O-CB 3.42Å; L7-L11 WeakPolarHBondContact O-CG 3.38Å; L7-L11 PolarHBondContact O-N 2.81Å
8	L	89.3	Confident	79.9	Confident	104 Å²	104	113.3 Å²	113.3	55%	0.545	59%	0.593	S	S	.	*	H	α-helix	trans	-64.2	-42.5	177.2	-153.1	102.9	0	0	0	111.3	L4 L5 L11 L12	L4-L8 WeakPolarHBondContact O-CB 3.43Å; L4-L8 PolarHBondContact O-N 2.82Å; L5-L8 PolarHBondContact O-N 2.71Å; L8-L11 PolarHBondContact O-N 3.17Å; L8-L12 HydrophobicContact CD2-CD1 4.01Å; L8-L12 HydrophobicContact CG-CD1 4.43Å; L8-L12 WeakPolarHBondContact O-CB 3.47Å; L8-L12 VanDerWaalsContact O-CG 3.25Å; L8-L12 WeakPolarHBondContact O-CG 3.4Å; L8-L12 PolarHBondContact O-N 3.25Å
9	I	89.3	Confident	79.3	Confident	83 Å²	83	111.6 Å²	111.6	43%	0.426	58%	0.583	S	S	.	*	H	α-helix	trans	-63.8	-43.8	175.7	-68.9	166.6	0	0	0	110.6	L5 P6 L12 L13	L5-I9 HydrophobicContact CD1-CD1 4.31Å; L5-I9 HydrophobicContact CG-CD1 3.98Å; L5-I9 WeakPolarHBondContact O-CB 3.43Å; L5-I9 VanDerWaalsContact O-CG1 3.25Å; L5-I9 WeakPolarHBondContact O-CG1 3.27Å; L5-I9 PolarHBondContact O-N 3.31Å; P6-I9 PolarHBondContact O-N 2.79Å; I9-L12 PolarHBondContact O-N 2.82Å; I9-L13 HydrophobicContact CG2-CD1 3.7Å; I9-L13 HydrophobicContact CG2-CG 4.19Å; I9-L13 VanDerWaalsContact O-CB 3.3Å; I9-L13 WeakPolarHBondContact O-CB 3.42Å; I9-L13 VanDerWaalsContact O-CG 3.24Å; I9-L13 WeakPolarHBondContact O-CG 3.48Å; I9-L13 PolarHBondContact O-N 3.2Å
10	S	86.3	Confident	78.6	Confident	79 Å²	79	111.3 Å²	111.3	55%	0.552	58%	0.581	S	S	*	*	H	α-helix	trans	-63.9	-40.9	177.1	-174.7	0	0	0	0	112.2	P6 L7 L13 G14	P6-S10 VanDerWaalsContact O-CB 3.29Å; P6-S10 WeakPolarHBondContact O-CB 3.5Å; P6-S10 PolarHBondContact O-N 3.42Å; L7-S10 PolarHBondContact O-N 3.25Å; S10-L13 PolarHBondContact O-N 2.92Å; S10-G14 PolarHBondContact O-N 2.82Å
11	L	89.9	Confident	78.1	Confident	114 Å²	114	114.5 Å²	114.5	60%	0.597	59%	0.586	S	S	*	*	H	α-helix	trans	-64.3	-43.2	173.6	-80.4	163.4	0	0	0	111.9	L7 L8 G14 L15	L7-L11 HydrophobicContact CG-CD1 4.22Å; L7-L11 WeakPolarHBondContact O-CB 3.42Å; L7-L11 WeakPolarHBondContact O-CG 3.38Å; L7-L11 PolarHBondContact O-N 2.81Å; L8-L11 PolarHBondContact O-N 3.17Å; L11-G14 PolarHBondContact O-N 3.17Å; L11-L15 WeakPolarHBondContact O-CB 3.04Å; L11-L15 PolarHBondContact O-N 3.45Å
12	L	87.6	Confident	79.1	Confident	99 Å²	99	106.1 Å²	106.1	52%	0.518	56%	0.556	S	S	.	*	H	α-helix	trans	-66.1	-41.4	176.5	-75.6	168	0	0	0	111.7	L8 I9 L15 L16	L8-L12 HydrophobicContact CD2-CD1 4.01Å; L8-L12 HydrophobicContact CG-CD1 4.43Å; L8-L12 WeakPolarHBondContact O-CB 3.47Å; L8-L12 VanDerWaalsContact O-CG 3.25Å; L8-L12 WeakPolarHBondContact O-CG 3.4Å; L8-L12 PolarHBondContact O-N 3.25Å; I9-L12 PolarHBondContact O-N 2.82Å; L12-L15 PolarHBondContact O-N 2.69Å; L12-L16 WeakPolarHBondContact O-CB 3.2Å; L12-L16 PolarHBondContact O-N 2.83Å
13	L	85	Confident	80	Confident	103 Å²	103	102.4 Å²	102.4	54%	0.539	53%	0.527	S	S	.	.	H	α-helix	trans	-69.2	-37.4	175.8	-73.3	172.9	0	0	0	111.9	I9 S10 L16 F17	I9-L13 HydrophobicContact CG2-CD1 3.7Å; I9-L13 HydrophobicContact CG2-CG 4.19Å; I9-L13 VanDerWaalsContact O-CB 3.3Å; I9-L13 WeakPolarHBondContact O-CB 3.42Å; I9-L13 VanDerWaalsContact O-CG 3.24Å; I9-L13 WeakPolarHBondContact O-CG 3.48Å; I9-L13 PolarHBondContact O-N 3.2Å; S10-L13 PolarHBondContact O-N 2.92Å; L13-L16 HydrophobicContact CD2-CD2 4.5Å; L13-L16 PolarHBondContact O-N 2.85Å; L13-F17 WeakPolarHBondContact O-CB 3.31Å; L13-F17 PolarHBondContact O-N 2.78Å
14	G	79.7	Confident	80.9	Confident	39 Å²	39	98.2 Å²	98.2	40%	0.402	52%	0.516	S	S	.	.	H	α-helix	trans	-66.4	-42.4	173.9	0	0	0	0	0	111.9	S10 L11 F17 W18	S10-G14 PolarHBondContact O-N 2.82Å; L11-G14 PolarHBondContact O-N 3.17Å; G14-F17 PolarHBondContact O-N 2.77Å; G14-W18 VanDerWaalsContact O-CB 3.26Å; G14-W18 WeakPolarHBondContact O-CB 3.13Å; G14-W18 PolarHBondContact O-N 2.91Å
15	L	76.8	Confident	81.6	Confident	96 Å²	96	99 Å²	99	50%	0.503	51%	0.511	S	S	.	.	H	α-helix	trans	-64.2	-45.3	173	-173.5	72.2	0	0	0	110.8	L11 L12 W18 I19	L11-L15 WeakPolarHBondContact O-CB 3.04Å; L11-L15 PolarHBondContact O-N 3.45Å; L12-L15 PolarHBondContact O-N 2.69Å; L15-W18 PolarHBondContact O-N 3.37Å; L15-I19 HydrophobicContact CD1-CD1 4.46Å; L15-I19 HydrophobicContact CD2-CD1 4.44Å; L15-I19 HydrophobicContact CG-CD1 3.89Å; L15-I19 WeakPolarHBondContact O-CB 3.33Å; L15-I19 WeakPolarHBondContact O-CD1 3.33Å; L15-I19 WeakPolarHBondContact O-CG1 3.15Å; L15-I19 PolarHBondContact O-N 3.37Å
16	L	75.6	Confident	82.1	Confident	91 Å²	91	98.5 Å²	98.5	48%	0.476	50%	0.504	S	S	.	.	H	α-helix	trans	-61.6	-45.6	176.2	-171.2	74.2	0	0	0	110.6	L12 L13 W18 I19 L20	L12-L16 WeakPolarHBondContact O-CB 3.2Å; L12-L16 PolarHBondContact O-N 2.83Å; L13-L16 HydrophobicContact CD2-CD2 4.5Å; L13-L16 PolarHBondContact O-N 2.85Å; L16-W18 VanDerWaalsContact C-N 3.35Å; L16-W18 PolarHBondContact O-N 3.06Å; L16-I19 PolarHBondContact O-N 2.88Å; L16-L20 HydrophobicContact CD1-CD1 4.47Å; L16-L20 HydrophobicContact CD2-CD1 4.28Å; L16-L20 HydrophobicContact CG-CD1 3.8Å; L16-L20 HydrophobicContact CG-CG 4.36Å; L16-L20 VanDerWaalsContact O-CB 3.22Å; L16-L20 WeakPolarHBondContact O-CB 3.48Å; L16-L20 WeakPolarHBondContact O-CD1 3.36Å; L16-L20 WeakPolarHBondContact O-CG 3.47Å; L16-L20 PolarHBondContact O-N 3.33Å
17	F	73.1	Confident	82.5	Confident	119 Å²	119	101.4 Å²	101.4	52%	0.522	52%	0.522	S	S	.	.	H	α-helix	trans	-62.6	-41.1	176	-178.9	-99.7	0	0	0	111.8	L13 G14 L20 R21	L13-F17 WeakPolarHBondContact O-CB 3.31Å; L13-F17 PolarHBondContact O-N 2.78Å; G14-F17 PolarHBondContact O-N 2.77Å; F17-L20 PolarHBondContact O-N 2.85Å; F17-R21 HydrophobicContact CE1-CG 4.15Å; F17-R21 HydrophobicContact CZ-CG 4.19Å; F17-R21 WeakPolarHBondContact O-CB 3.32Å; F17-R21 PolarHBondContact O-N 2.92Å
18	W	68.8	Low	82.7	Confident	194 Å²	194	98.9 Å²	98.9	74%	0.735	52%	0.522	S	S	*	.	H	α-helix	trans	-65.5	-43	176.2	-175.1	81.9	0	0	0	112	G14 L15 L16 L20 R21	G14-W18 VanDerWaalsContact O-CB 3.26Å; G14-W18 WeakPolarHBondContact O-CB 3.13Å; G14-W18 PolarHBondContact O-N 2.91Å; L15-W18 PolarHBondContact O-N 3.37Å; L16-W18 VanDerWaalsContact C-N 3.35Å; L16-W18 PolarHBondContact O-N 3.06Å; W18-L20 VanDerWaalsContact C-N 3.34Å; W18-R21 PolarHBondContact O-N 3.47Å
19	I	67.1	Low	83.1	Confident	80 Å²	80	94.6 Å²	94.6	41%	0.41	50%	0.499	S	S	.	.	H	α-helix	trans	-62.1	-41.6	173.2	-70.2	166.9	0	0	0	110.8	L15 L16 P38	L15-I19 HydrophobicContact CD1-CD1 4.46Å; L15-I19 HydrophobicContact CD2-CD1 4.44Å; L15-I19 HydrophobicContact CG-CD1 3.89Å; L15-I19 WeakPolarHBondContact O-CB 3.33Å; L15-I19 WeakPolarHBondContact O-CD1 3.33Å; L15-I19 WeakPolarHBondContact O-CG1 3.15Å; L15-I19 PolarHBondContact O-N 3.37Å; L16-I19 PolarHBondContact O-N 2.88Å; I19-P38 HydrophobicContact CG2-CB 3.98Å
20	L	66.6	Low	83.5	Confident	105 Å²	105	90.8 Å²	90.8	55%	0.55	48%	0.48	S	S	.	.	H	α-helix	trans	-74.2	-32.1	-179.2	-72.3	170.2	0	0	0	113.1	L16 F17 W18 G22 P38	L16-L20 HydrophobicContact CD1-CD1 4.47Å; L16-L20 HydrophobicContact CD2-CD1 4.28Å; L16-L20 HydrophobicContact CG-CD1 3.8Å; L16-L20 HydrophobicContact CG-CG 4.36Å; L16-L20 VanDerWaalsContact O-CB 3.22Å; L16-L20 WeakPolarHBondContact O-CB 3.48Å; L16-L20 WeakPolarHBondContact O-CD1 3.36Å; L16-L20 WeakPolarHBondContact O-CG 3.47Å; L16-L20 PolarHBondContact O-N 3.33Å; F17-L20 PolarHBondContact O-N 2.85Å; W18-L20 VanDerWaalsContact C-N 3.34Å; L20-G22 PolarHBondContact O-N 3.12Å; L20-P38 HydrophobicContact CD2-CG 3.69Å
21	R	68.4	Low	84	Confident	179 Å²	179	88.5 Å²	88.5	68%	0.675	46%	0.464	S	S	*	.	H	α-helix	trans	-60.8	-36.4	179.8	-122.7	-176.2	172.9	-179.2	-1.9	111.5	F17 W18	F17-R21 HydrophobicContact CE1-CG 4.15Å; F17-R21 HydrophobicContact CZ-CG 4.19Å; F17-R21 WeakPolarHBondContact O-CB 3.32Å; F17-R21 PolarHBondContact O-N 2.92Å; W18-R21 PolarHBondContact O-N 3.47Å
22	G	75.4	Confident	84.3	Confident	42 Å²	42	84.9 Å²	84.9	43%	0.433	44%	0.444	S	S	.	.			trans	55.5	-175.8	176.2	0	0	0	0	0	114.2	L20	L20-G22 PolarHBondContact O-N 3.12Å
23	R	88.3	Confident	84.7	Confident	20 Å²	20	80.8 Å²	80.8	8%	0.075	42%	0.424	C	S	.	.			trans	-74.7	138.3	174.2	-179	179.1	177.3	166.5	-0.8	110.7	E29 L32 K34 F73 D379	R23-E29 IonicContact NH2-OE1 2.75Å; R23-E29 IonicContact NH2-OE2 2.59Å; R23-L32 HydrophobicContact CB-CD2 4.27Å; R23-L32 HydrophobicContact CG-CD2 3.96Å; R23-L32 WeakPolarHBondContact O-CD2 3.49Å; R23-K34 WeakPolarHBondContact O-CD 3.13Å; R23-K34 WeakPolarHBondContact O-CE 3.38Å; R23-K34 PolarHBondContact O-NZ 3.24Å; R23-F73 HydrophobicContact CB-CE1 3.62Å; R23-F73 HydrophobicContact CB-CE2 4.05Å; R23-F73 HydrophobicContact CB-CZ 3.34Å; R23-F73 HydrophobicContact CG-CE1 4.21Å; R23-F73 HydrophobicContact CG-CZ 4.21Å; R23-F73 VanDerWaalsContact NH1-CB 3.26Å; R23-F73 VanDerWaalsContact NH1-CG 3.33Å; R23-D379 IonicContact CZ-OD1 3.86Å; R23-D379 IonicContact CZ-OD2 2.77Å; R23-D379 VanDerWaalsContact CZ-OD2 3.28Å; R23-D379 IonicContact NH1-OD1 3.19Å; R23-D379 PolarHBondContact NH1-OD1 3.03Å; R23-D379 IonicContact NH1-OD2 2.76Å; R23-D379 PolarHBondContact NH1-OD2 2.76Å; R23-D379 IonicContact NH2-OD1 3.68Å; R23-D379 IonicContact NH2-OD2 3.22Å; R23-D379 PolarHBondContact NH2-OD2 3.34Å
24	T	90.9	Very high	85	Confident	99 Å²	99	80 Å²	80	61%	0.607	42%	0.416	S	S	*	.			trans	-109.4	148.4	164.3	54.5	0	0	0	0	110.1	R376	T24-R376 PolarHBondContact O-NH2 3.19Å
25	R	95.1	Very high	85.2	Confident	139 Å²	139	79 Å²	79	53%	0.525	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-70	129.1	177.5	-177	-174.6	176.4	-157.9	0.6	109.6	E29 P30 L32	R25-E29 HydrophobicContact CG-CB 4.03Å; R25-E29 VanDerWaalsContact CZ-O 3.22Å; R25-E29 PolarHBondContact NE-O 3.47Å; R25-E29 PolarHBondContact NH2-O 3.16Å; R25-P30 VanDerWaalsContact CD-O 3.31Å; R25-P30 WeakPolarHBondContact CD-O 3.32Å; R25-P30 PolarHBondContact NE-O 2.97Å; R25-L32 HydrophobicContact CB-CB 4.08Å
26	K	95.1	Very high	85.5	Confident	103 Å²	103	85.2 Å²	85.2	45%	0.448	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-88.7	159.1	170.3	-71	170.6	-177.2	-178.6	0	110.8	G28 E29	K26-G28 PolarHBondContact O-N 2.81Å; K26-E29 HydrophobicContact CB-CG 4.02Å; K26-E29 PolarHBondContact N-OE2 3.36Å; K26-E29 WeakPolarHBondContact O-CB 3.44Å; K26-E29 PolarHBondContact O-N 3.48Å; K26-E29 VanDerWaalsContact O-N 3.17Å
27	P	94.5	Very high	85.8	Confident	135 Å²	135	83.7 Å²	83.7	88%	0.877	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	137.3	168.6	-25.5	35.1	0	0	0	111.4	E29	P27-E29 VanDerWaalsContact C-N 3.28Å; P27-E29 PolarHBondContact O-N 3.45Å
28	G	94.1	Very high	86.1	Confident	54 Å²	54	80.5 Å²	80.5	56%	0.557	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.3	-11.8	-178.4	0	0	0	0	0	115.7	K26 G374	K26-G28 PolarHBondContact O-N 2.81Å; G28-G374 PolarHBondContact O-N 3.07Å
29	E	97.3	Very high	86.7	Confident	13 Å²	13	78 Å²	78	6%	0.061	40%	0.4	C	S	.	.	S	Bend	trans	-79.2	155.4	173.9	-63.9	-176.5	165.5	0	0	111.6	R23 R25 K26 P27 R376	R23-E29 IonicContact NH2-OE1 2.75Å; R23-E29 IonicContact NH2-OE2 2.59Å; R25-E29 HydrophobicContact CG-CB 4.03Å; R25-E29 VanDerWaalsContact CZ-O 3.22Å; R25-E29 PolarHBondContact NE-O 3.47Å; R25-E29 PolarHBondContact NH2-O 3.16Å; K26-E29 HydrophobicContact CB-CG 4.02Å; K26-E29 PolarHBondContact N-OE2 3.36Å; K26-E29 WeakPolarHBondContact O-CB 3.44Å; K26-E29 PolarHBondContact O-N 3.48Å; K26-E29 VanDerWaalsContact O-N 3.17Å; P27-E29 VanDerWaalsContact C-N 3.28Å; P27-E29 PolarHBondContact O-N 3.45Å; E29-R376 VanDerWaalsContact CD-NH2 3.29Å; E29-R376 IonicContact OE1-CZ 3.28Å; E29-R376 IonicContact OE1-NE 2.72Å; E29-R376 PolarHBondContact OE1-NE 3.29Å; E29-R376 IonicContact OE1-NH2 3.12Å; E29-R376 PolarHBondContact OE1-NH2 2.91Å; E29-R376 IonicContact OE2-CZ 3.26Å; E29-R376 IonicContact OE2-NE 3.31Å; E29-R376 IonicContact OE2-NH2 3.39Å; E29-R376 PolarHBondContact OE2-NH2 3.09Å
30	P	97.4	Very high	87.5	Confident	4 Å²	4	76.6 Å²	76.6	3%	0.026	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-58.3	160.2	171.4	-22.7	34.2	0	0	0	112.8	R25 L32 V64 T75 V373 G374	R25-P30 VanDerWaalsContact CD-O 3.31Å; R25-P30 WeakPolarHBondContact CD-O 3.32Å; R25-P30 PolarHBondContact NE-O 2.97Å; P30-L32 PolarHBondContact O-N 2.99Å; P30-V64 HydrophobicContact CB-CG1 4.13Å; P30-V64 HydrophobicContact CG-CG1 3.92Å; P30-T75 HydrophobicContact CG-CG2 3.92Å; P30-V373 HydrophobicContact CG-CB 3.96Å; P30-V373 HydrophobicContact CG-CG1 4.33Å; P30-V373 HydrophobicContact CG-CG2 4Å; P30-G374 WeakPolarHBondContact CD-O 3.43Å
31	P	97.8	Very high	88.7	Confident	31 Å²	31	71.9 Å²	71.9	20%	0.201	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-49.8	130.4	167.5	-26	35.8	0	0	0	111.2	H61 V64 F65 T66	P31-H61 HydrophobicContact CB-CB 4.07Å; P31-H61 HydrophobicContact CG-CB 4.18Å; P31-V64 WeakPolarHBondContact CD-O 3.37Å; P31-F65 HydrophobicContact CB-CB 4.42Å; P31-T66 PolarHBondContact O-N 3.21Å
32	L	96.8	Very high	89.9	Confident	37 Å²	37	65.5 Å²	65.5	19%	0.194	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	116.4	-177.5	177.8	63.8	0	0	0	110.5	R23 R25 P30 K34 T66 F73	R23-L32 HydrophobicContact CB-CD2 4.27Å; R23-L32 HydrophobicContact CG-CD2 3.96Å; R23-L32 WeakPolarHBondContact O-CD2 3.49Å; R25-L32 HydrophobicContact CB-CB 4.08Å; P30-L32 PolarHBondContact O-N 2.99Å; L32-K34 HydrophobicContact CD1-CG 4.4Å; L32-K34 HydrophobicContact CD2-CD 4.09Å; L32-K34 HydrophobicContact CD2-CG 4.17Å; L32-K34 HydrophobicContact CG-CD 4.45Å; L32-K34 HydrophobicContact CG-CG 3.97Å; L32-T66 CarbonylContact C-O 3.48Å; L32-T66 WeakPolarHBondContact CA-O 3.47Å; L32-T66 HydrophobicContact CD1-CG2 3.89Å; L32-F73 HydrophobicContact CD1-CD1 3.89Å; L32-F73 HydrophobicContact CD1-CE1 4.12Å
33	V	95.4	Very high	90.6	Very high	13 Å²	13	64.7 Å²	64.7	8%	0.079	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	115.8	175.6	-175.5	0	0	0	0	108.7	K42 H57 T66 V67 Q68	V33-K42 HydrophobicContact CG1-CG 4.19Å; V33-H57 WeakPolarHBondContact CG1-NE2 3.11Å; V33-T66 PolarHBondContact N-O 2.74Å; V33-V67 HydrophobicContact CB-CG1 4.42Å; V33-V67 HydrophobicContact CB-CG2 4.23Å; V33-V67 HydrophobicContact CG1-CG1 4.46Å; V33-V67 WeakPolarHBondContact O-CA 3.13Å; V33-Q68 PolarHBondContact O-N 2.92Å
34	K	90.8	Very high	90.7	Very high	88 Å²	88	69.1 Å²	69.1	38%	0.383	36%	0.363	S	S	.	.			trans	-111.8	151.9	175.2	-63.1	-169.8	-67.4	-177.9	0	110.8	R23 L32	R23-K34 WeakPolarHBondContact O-CD 3.13Å; R23-K34 WeakPolarHBondContact O-CE 3.38Å; R23-K34 PolarHBondContact O-NZ 3.24Å; L32-K34 HydrophobicContact CD1-CG 4.4Å; L32-K34 HydrophobicContact CD2-CD 4.09Å; L32-K34 HydrophobicContact CD2-CG 4.17Å; L32-K34 HydrophobicContact CG-CD 4.45Å; L32-K34 HydrophobicContact CG-CG 3.97Å
35	G	84.9	Confident	90.8	Very high	17 Å²	17	67.2 Å²	67.2	18%	0.175	35%	0.349	C	S	.	.			trans	-82.6	165.4	165.2	0	0	0	0	0	111.6	G41	G35-G41 WeakPolarHBondContact CA-O 3.37Å
36	W	82.2	Confident	90.7	Very high	227 Å²	227	61.3 Å²	61.3	86%	0.86	33%	0.327	S	S	*	.	S	Bend	trans	-74.2	-26.9	172.6	65.6	-61	0	0	0	112.7	P38	W36-P38 WeakPolarHBondContact O-CD 3.37Å
37	I	82.6	Confident	90.4	Very high	59 Å²	59	58.1 Å²	58.1	30%	0.303	32%	0.323	S	S	.	.	S	Bend	trans	-89.8	117	176.4	-55.3	174	0	0	0	108.8	V40 G41	I37-V40 HydrophobicContact CB-CB 4.15Å; I37-V40 HydrophobicContact CG2-CB 3.83Å; I37-V40 HydrophobicContact CG2-CG2 3.8Å; I37-G41 PolarHBondContact O-N 3.31Å
38	P	79.2	Confident	90.2	Very high	52 Å²	52	59 Å²	59	34%	0.338	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	150.1	174.6	-22.5	32.1	0	0	0	111.6	I19 L20 W36 V40	I19-P38 HydrophobicContact CG2-CB 3.98Å; L20-P38 HydrophobicContact CD2-CG 3.69Å; W36-P38 WeakPolarHBondContact O-CD 3.37Å; P38-V40 PolarHBondContact O-N 2.75Å
39	F	80.3	Confident	90.2	Very high	142 Å²	142	59.9 Å²	59.9	62%	0.623	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.7	-59.8	-174.6	-173.7	-91.9	0	0	0	114.2	G41 A70 G71	F39-G41 VanDerWaalsContact C-N 3.26Å; F39-G41 PolarHBondContact O-N 2.93Å; F39-A70 CarbonylContact O-C 3.51Å; F39-G71 WeakPolarHBondContact O-CA 3.43Å; F39-G71 PolarHBondContact O-N 3.13Å
40	V	85.4	Confident	90	Very high	49 Å²	49	59.4 Å²	59.4	30%	0.297	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-42.3	179.6	179.2	0	0	0	0	111.3	I37 P38 K42 A43 L44 A70	I37-V40 HydrophobicContact CB-CB 4.15Å; I37-V40 HydrophobicContact CG2-CB 3.83Å; I37-V40 HydrophobicContact CG2-CG2 3.8Å; P38-V40 PolarHBondContact O-N 2.75Å; V40-K42 PolarHBondContact O-N 3.08Å; V40-A43 HydrophobicContact CG1-CB 4.13Å; V40-A43 VanDerWaalsContact O-CB 3.31Å; V40-A43 WeakPolarHBondContact O-CB 3.39Å; V40-A43 PolarHBondContact O-N 2.8Å; V40-L44 HydrophobicContact CG1-CG 4.46Å; V40-A70 PolarHBondContact O-N 2.82Å; V40-A70 VanDerWaalsContact O-N 3.09Å
41	G	90.3	Very high	89.9	Confident	7 Å²	7	61.5 Å²	61.5	7%	0.072	31%	0.313	C	S	.	.	B	Isolated β-bridge	trans	60.4	-123.8	179.4	0	0	0	0	0	111.2	G35 I37 F39 Q68	G35-G41 WeakPolarHBondContact CA-O 3.37Å; I37-G41 PolarHBondContact O-N 3.31Å; F39-G41 VanDerWaalsContact C-N 3.26Å; F39-G41 PolarHBondContact O-N 2.93Å; G41-Q68 WeakPolarHBondContact CA-O 3.44Å
42	K	93.6	Very high	89.8	Confident	44 Å²	44	65.6 Å²	65.6	19%	0.191	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	15.7	-179.2	-69.7	-65.8	-172.2	169.9	0	114	V33 V40 L44 D45 F46 F53 V67 Q68	V33-K42 HydrophobicContact CG1-CG 4.19Å; V40-K42 PolarHBondContact O-N 3.08Å; K42-L44 VanDerWaalsContact C-N 3.32Å; K42-L44 PolarHBondContact O-N 2.85Å; K42-D45 HydrophobicContact CD-CB 4.4Å; K42-D45 WeakPolarHBondContact CD-OD2 3.37Å; K42-D45 IonicContact NZ-OD2 3.17Å; K42-D45 PolarHBondContact NZ-OD2 3.33Å; K42-D45 PolarHBondContact O-N 2.82Å; K42-F46 WeakPolarHBondContact O-CB 3.46Å; K42-F46 PolarHBondContact O-N 3.48Å; K42-F53 HydrophobicContact CB-CE2 4.03Å; K42-F53 HydrophobicContact CB-CZ 3.74Å; K42-F53 HydrophobicContact CD-CE2 4.14Å; K42-F53 HydrophobicContact CD-CZ 4.47Å; K42-F53 HydrophobicContact CG-CE2 4.24Å; K42-F53 HydrophobicContact CG-CZ 4.07Å; K42-V67 HydrophobicContact CB-CG1 3.73Å; K42-V67 HydrophobicContact CG-CG1 4.04Å; K42-Q68 PolarHBondContact N-O 3.25Å
43	A	90.8	Very high	89.8	Confident	25 Å²	25	64.3 Å²	64.3	21%	0.207	32%	0.32	C	S	.	.	H	α-helix	trans	-56.6	-39.5	-176.3	0	0	0	0	0	114.4	V40 G47 I69 A70	V40-A43 HydrophobicContact CG1-CB 4.13Å; V40-A43 VanDerWaalsContact O-CB 3.31Å; V40-A43 WeakPolarHBondContact O-CB 3.39Å; V40-A43 PolarHBondContact O-N 2.8Å; A43-G47 PolarHBondContact O-N 2.84Å; A43-I69 HydrophobicContact CB-CG2 4.16Å; A43-A70 HydrophobicContact CB-CB 4.21Å
44	L	90.3	Very high	89.9	Confident	114 Å²	114	63.7 Å²	63.7	60%	0.597	32%	0.316	S	S	*	.	H	α-helix	trans	-71	-39.3	178.8	-62.2	178.6	0	0	0	112.6	V40 K42 K48	V40-L44 HydrophobicContact CG1-CG 4.46Å; K42-L44 VanDerWaalsContact C-N 3.32Å; K42-L44 PolarHBondContact O-N 2.85Å; L44-K48 WeakPolarHBondContact O-CG 3.49Å; L44-K48 PolarHBondContact O-N 3.19Å
45	D	92.9	Very high	90.2	Very high	59 Å²	59	60.6 Å²	60.6	32%	0.316	30%	0.303	S	S	.	.	H	α-helix	trans	-66.8	-44	177.5	-62.8	-28.9	0	0	0	109.8	K42 K48 F53	K42-D45 HydrophobicContact CD-CB 4.4Å; K42-D45 WeakPolarHBondContact CD-OD2 3.37Å; K42-D45 IonicContact NZ-OD2 3.17Å; K42-D45 PolarHBondContact NZ-OD2 3.33Å; K42-D45 PolarHBondContact O-N 2.82Å; D45-K48 PolarHBondContact O-N 2.81Å; D45-F53 HydrophobicContact CB-CD2 3.73Å; D45-F53 HydrophobicContact CB-CE2 3.79Å
46	F	92.5	Very high	90.8	Very high	15 Å²	15	64.2 Å²	64.2	7%	0.066	32%	0.315	C	S	.	.	H	α-helix	trans	-62.8	-43.8	175.9	-174	-89.7	0	0	0	112.4	K42 K48 D49 A50 F53 L54 I69 F76 M354 A476	K42-F46 WeakPolarHBondContact O-CB 3.46Å; K42-F46 PolarHBondContact O-N 3.48Å; F46-K48 VanDerWaalsContact C-N 3.32Å; F46-K48 PolarHBondContact O-N 3.06Å; F46-D49 CarbonylContact O-C 3.59Å; F46-A50 HydrophobicContact CD1-CB 4.17Å; F46-A50 HydrophobicContact CD2-CB 4.15Å; F46-A50 HydrophobicContact CE1-CB 3.87Å; F46-A50 HydrophobicContact CE2-CB 3.86Å; F46-A50 HydrophobicContact CG-CB 4.3Å; F46-A50 HydrophobicContact CZ-CB 3.7Å; F46-A50 WeakPolarHBondContact O-CA 3.39Å; F46-A50 WeakPolarHBondContact O-CB 3.49Å; F46-A50 PolarHBondContact O-N 2.92Å; F46-F53 HydrophobicContact CB-CD1 4.37Å; F46-F53 AromaticContact CD2-CD1 3.74Å; F46-F53 HydrophobicContact CD2-CD1 3.74Å; F46-F53 HydrophobicContact CD2-CE1 4.02Å; F46-L54 HydrophobicContact CE2-CD1 3.99Å; F46-L54 HydrophobicContact CE2-CD2 4.19Å; F46-L54 HydrophobicContact CE2-CG 4.07Å; F46-I69 HydrophobicContact CB-CD1 4.3Å; F46-I69 HydrophobicContact CD1-CD1 4.44Å; F46-I69 HydrophobicContact CD2-CD1 3.63Å; F46-I69 HydrophobicContact CE2-CD1 4.01Å; F46-I69 HydrophobicContact CG-CD1 3.87Å; F46-F76 HydrophobicContact CE2-CE1 4.28Å; F46-F76 AromaticContact CE2-CZ 3.76Å; F46-F76 HydrophobicContact CE2-CZ 3.76Å; F46-F76 HydrophobicContact CZ-CZ 4.31Å; F46-M354 HydrophobicContact CE1-CE 4.16Å; F46-M354 HydrophobicContact CZ-CE 3.96Å; F46-M354 HydrophobicContact CZ-SD 3.87Å; F46-A476 HydrophobicContact CE1-CB 4.48Å
47	G	89.2	Confident	91.5	Very high	35 Å²	35	54.5 Å²	54.5	36%	0.361	28%	0.28	S	S	.	.	H	α-helix	trans	-71.5	-21	-178.3	0	0	0	0	0	114.8	A43	A43-G47 PolarHBondContact O-N 2.84Å
48	K	91.5	Very high	92.2	Very high	155 Å²	155	54.3 Å²	54.3	67%	0.674	28%	0.275	S	S	*	.	H	α-helix	trans	-72.1	-46.3	176	-79	172.7	-178.6	178.8	0	112.1	L44 D45 F46 P473	L44-K48 WeakPolarHBondContact O-CG 3.49Å; L44-K48 PolarHBondContact O-N 3.19Å; D45-K48 PolarHBondContact O-N 2.81Å; F46-K48 VanDerWaalsContact C-N 3.32Å; F46-K48 PolarHBondContact O-N 3.06Å; K48-P473 WeakPolarHBondContact O-CB 3.41Å; K48-P473 WeakPolarHBondContact O-CG 3.49Å
49	D	92.6	Very high	93	Very high	71 Å²	71	61.3 Å²	61.3	38%	0.38	30%	0.295	S	S	.	.			trans	-161.7	89.2	179.3	-173.7	-21.6	0	0	0	108.8	F46 H51 K52 F53	F46-D49 CarbonylContact O-C 3.59Å; D49-H51 VanDerWaalsContact C-N 3.31Å; D49-H51 PolarHBondContact O-N 3.3Å; D49-H51 PolarHBondContact OD1-N 3.31Å; D49-K52 HydrophobicContact CB-CB 4.1Å; D49-K52 WeakPolarHBondContact OD1-CB 3.04Å; D49-K52 PolarHBondContact OD1-N 2.87Å; D49-K52 VanDerWaalsContact OD2-CB 3.25Å; D49-K52 WeakPolarHBondContact OD2-CB 3.25Å; D49-F53 WeakPolarHBondContact O-CB 3.45Å; D49-F53 PolarHBondContact O-N 3.23Å
50	A	94.4	Very high	93.9	Very high	3 Å²	3	62.2 Å²	62.2	3%	0.025	30%	0.298	C	S	.	.	H	α-helix	trans	-63.2	-38.2	-175.4	0	0	0	0	0	112.1	F46 L54 Y384 A476	F46-A50 HydrophobicContact CD1-CB 4.17Å; F46-A50 HydrophobicContact CD2-CB 4.15Å; F46-A50 HydrophobicContact CE1-CB 3.87Å; F46-A50 HydrophobicContact CE2-CB 3.86Å; F46-A50 HydrophobicContact CG-CB 4.3Å; F46-A50 HydrophobicContact CZ-CB 3.7Å; F46-A50 WeakPolarHBondContact O-CA 3.39Å; F46-A50 WeakPolarHBondContact O-CB 3.49Å; F46-A50 PolarHBondContact O-N 2.92Å; A50-L54 WeakPolarHBondContact O-CB 3.26Å; A50-L54 WeakPolarHBondContact O-CG 3.38Å; A50-L54 PolarHBondContact O-N 3.44Å; A50-Y384 HydrophobicContact CB-CE2 4.49Å; A50-A476 HydrophobicContact CB-CB 3.56Å
51	H	94.8	Very high	94.4	Very high	49 Å²	49	62.5 Å²	62.5	23%	0.227	30%	0.297	C	S	.	.	H	α-helix	trans	-65.9	-53.4	-179.2	177.7	60.7	0	0	0	111	D49 F53 L54 E55 Y384	D49-H51 VanDerWaalsContact C-N 3.31Å; D49-H51 PolarHBondContact O-N 3.3Å; D49-H51 PolarHBondContact OD1-N 3.31Å; H51-F53 VanDerWaalsContact C-N 3.3Å; H51-F53 PolarHBondContact O-N 3.29Å; H51-L54 PolarHBondContact O-N 3.42Å; H51-E55 WeakPolarHBondContact O-CG 3.39Å; H51-E55 PolarHBondContact O-N 2.79Å; H51-Y384 HydrophobicContact CB-CE1 4.1Å
52	K	95.6	Very high	94.7	Very high	116 Å²	116	63.8 Å²	63.8	50%	0.504	31%	0.309	S	S	.	.	H	α-helix	trans	-59.1	-44.5	177.1	-177.7	179	175.7	178.5	0	111.4	D49 L54 E55 E56	D49-K52 HydrophobicContact CB-CB 4.1Å; D49-K52 WeakPolarHBondContact OD1-CB 3.04Å; D49-K52 PolarHBondContact OD1-N 2.87Å; D49-K52 VanDerWaalsContact OD2-CB 3.25Å; D49-K52 WeakPolarHBondContact OD2-CB 3.25Å; K52-L54 PolarHBondContact O-N 2.65Å; K52-E55 PolarHBondContact O-N 3.29Å; K52-E56 WeakPolarHBondContact CE-OE1 3.36Å; K52-E56 HydrophobicContact CG-CG 4.48Å; K52-E56 WeakPolarHBondContact O-CB 3.49Å; K52-E56 WeakPolarHBondContact O-CG 3.49Å; K52-E56 PolarHBondContact O-N 3.42Å
53	F	96.7	Very high	94.9	Very high	11 Å²	11	64 Å²	64	5%	0.048	31%	0.313	C	S	.	.	H	α-helix	trans	-56.6	-48.9	177.4	172.2	-91.7	0	0	0	111.7	K42 D45 F46 D49 H51 E56 H57 V67	K42-F53 HydrophobicContact CB-CE2 4.03Å; K42-F53 HydrophobicContact CB-CZ 3.74Å; K42-F53 HydrophobicContact CD-CE2 4.14Å; K42-F53 HydrophobicContact CD-CZ 4.47Å; K42-F53 HydrophobicContact CG-CE2 4.24Å; K42-F53 HydrophobicContact CG-CZ 4.07Å; D45-F53 HydrophobicContact CB-CD2 3.73Å; D45-F53 HydrophobicContact CB-CE2 3.79Å; F46-F53 HydrophobicContact CB-CD1 4.37Å; F46-F53 AromaticContact CD2-CD1 3.74Å; F46-F53 HydrophobicContact CD2-CD1 3.74Å; F46-F53 HydrophobicContact CD2-CE1 4.02Å; D49-F53 WeakPolarHBondContact O-CB 3.45Å; D49-F53 PolarHBondContact O-N 3.23Å; H51-F53 VanDerWaalsContact C-N 3.3Å; H51-F53 PolarHBondContact O-N 3.29Å; F53-E56 PolarHBondContact O-N 3.39Å; F53-H57 AromaticContact CD2-CE1 3.57Å; F53-H57 AromaticContact CD2-ND1 3.8Å; F53-H57 AromaticContact CE1-ND1 3.91Å; F53-H57 AromaticContact CE2-CE1 3.11Å; F53-H57 WeakPolarHBondContact CE2-CE1 3.35Å; F53-H57 AromaticContact CE2-ND1 3.62Å; F53-H57 AromaticContact CE2-NE2 3.92Å; F53-H57 AromaticContact CZ-CE1 3.43Å; F53-H57 VanDerWaalsContact CZ-CE1 3.43Å; F53-H57 WeakPolarHBondContact CZ-CE1 3.43Å; F53-H57 AromaticContact CZ-ND1 3.66Å; F53-H57 AromaticContact CZ-NE2 3.99Å; F53-H57 PolarHBondContact O-N 3.45Å; F53-H57 VanDerWaalsContact O-N 3.16Å; F53-H57 PolarHBondContact O-ND1 3.14Å; F53-V67 HydrophobicContact CE1-CG1 4.06Å; F53-V67 HydrophobicContact CE1-CG2 4.28Å; F53-V67 HydrophobicContact CZ-CG1 3.84Å
54	L	97.3	Very high	95.2	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-69	-38.7	-178.4	-70.9	175.6	0	0	0	112.3	F46 A50 H51 K52 H57 R58 F65 F76 M78 Y384	F46-L54 HydrophobicContact CE2-CD1 3.99Å; F46-L54 HydrophobicContact CE2-CD2 4.19Å; F46-L54 HydrophobicContact CE2-CG 4.07Å; A50-L54 WeakPolarHBondContact O-CB 3.26Å; A50-L54 WeakPolarHBondContact O-CG 3.38Å; A50-L54 PolarHBondContact O-N 3.44Å; H51-L54 PolarHBondContact O-N 3.42Å; K52-L54 PolarHBondContact O-N 2.65Å; L54-H57 PolarHBondContact O-N 2.97Å; L54-R58 WeakPolarHBondContact O-CB 3.43Å; L54-R58 PolarHBondContact O-N 3.07Å; L54-F65 HydrophobicContact CD2-CE2 3.98Å; L54-F65 HydrophobicContact CD2-CZ 3.95Å; L54-F76 HydrophobicContact CD1-CD1 3.95Å; L54-F76 HydrophobicContact CD1-CE1 3.76Å; L54-F76 HydrophobicContact CD1-CZ 4.38Å; L54-F76 HydrophobicContact CD2-CD1 3.75Å; L54-F76 HydrophobicContact CD2-CD2 3.74Å; L54-F76 HydrophobicContact CD2-CE1 3.79Å; L54-F76 HydrophobicContact CD2-CE2 3.78Å; L54-F76 HydrophobicContact CD2-CG 3.73Å; L54-F76 HydrophobicContact CD2-CZ 3.81Å; L54-F76 HydrophobicContact CG-CE1 4.43Å; L54-M78 HydrophobicContact CB-CE 3.69Å; L54-M78 HydrophobicContact CB-SD 4.22Å; L54-M78 HydrophobicContact CD1-CE 4.5Å; L54-M78 HydrophobicContact CD1-SD 4.39Å; L54-Y384 HydrophobicContact CD1-CD1 3.5Å; L54-Y384 HydrophobicContact CD1-CD2 3.62Å; L54-Y384 HydrophobicContact CD1-CE1 3.87Å; L54-Y384 HydrophobicContact CD1-CE2 3.97Å; L54-Y384 HydrophobicContact CD1-CG 3.37Å
55	E	96.9	Very high	95.6	Very high	23 Å²	23	58.2 Å²	58.2	11%	0.107	28%	0.28	C	S	.	.	H	α-helix	trans	-65.2	-39.5	175.6	-72.7	-54.1	130.3	0	0	112.6	H51 K52 H57 R58 R59 M78 S387	H51-E55 WeakPolarHBondContact O-CG 3.39Å; H51-E55 PolarHBondContact O-N 2.79Å; K52-E55 PolarHBondContact O-N 3.29Å; E55-H57 VanDerWaalsContact C-N 3.32Å; E55-H57 PolarHBondContact O-N 2.97Å; E55-R58 PolarHBondContact O-N 3.44Å; E55-R58 IonicContact OE1-NH1 3.6Å; E55-R58 IonicContact OE2-NH1 2.61Å; E55-R58 PolarHBondContact OE2-NH1 3.38Å; E55-R59 WeakPolarHBondContact O-CG 3.5Å; E55-R59 PolarHBondContact O-N 2.95Å; E55-M78 WeakPolarHBondContact OE1-CE 3.48Å; E55-S387 WeakPolarHBondContact OE1-CB 3.09Å; E55-S387 PolarHBondContact OE1-OG 2.96Å
56	E	97.1	Very high	95.9	Very high	92 Å²	92	55.6 Å²	55.6	43%	0.43	27%	0.266	S	S	.	.	H	α-helix	trans	-61.6	-40.7	174	-74.9	174.9	178.6	0	0	111.8	K52 F53 K60	K52-E56 WeakPolarHBondContact CE-OE1 3.36Å; K52-E56 HydrophobicContact CG-CG 4.48Å; K52-E56 WeakPolarHBondContact O-CB 3.49Å; K52-E56 WeakPolarHBondContact O-CG 3.49Å; K52-E56 PolarHBondContact O-N 3.42Å; F53-E56 PolarHBondContact O-N 3.39Å; E56-K60 PolarHBondContact O-N 3.24Å
57	H	97.7	Very high	96.1	Very high	23 Å²	23	54.9 Å²	54.9	11%	0.106	26%	0.262	C	S	.	.	H	α-helix	trans	-73.5	-35.4	177.2	-72.4	80.8	0	0	0	112.5	V33 F53 L54 E55 K60 H61 F65	V33-H57 WeakPolarHBondContact CG1-NE2 3.11Å; F53-H57 AromaticContact CD2-CE1 3.57Å; F53-H57 AromaticContact CD2-ND1 3.8Å; F53-H57 AromaticContact CE1-ND1 3.91Å; F53-H57 AromaticContact CE2-CE1 3.11Å; F53-H57 WeakPolarHBondContact CE2-CE1 3.35Å; F53-H57 AromaticContact CE2-ND1 3.62Å; F53-H57 AromaticContact CE2-NE2 3.92Å; F53-H57 AromaticContact CZ-CE1 3.43Å; F53-H57 VanDerWaalsContact CZ-CE1 3.43Å; F53-H57 WeakPolarHBondContact CZ-CE1 3.43Å; F53-H57 AromaticContact CZ-ND1 3.66Å; F53-H57 AromaticContact CZ-NE2 3.99Å; F53-H57 PolarHBondContact O-N 3.45Å; F53-H57 VanDerWaalsContact O-N 3.16Å; F53-H57 PolarHBondContact O-ND1 3.14Å; L54-H57 PolarHBondContact O-N 2.97Å; E55-H57 VanDerWaalsContact C-N 3.32Å; E55-H57 PolarHBondContact O-N 2.97Å; H57-K60 PolarHBondContact O-N 2.91Å; H57-H61 AromaticContact CD2-CD2 3.96Å; H57-H61 WeakPolarHBondContact O-CB 3.35Å; H57-H61 PolarHBondContact O-CD2 2.83Å; H57-H61 PolarHBondContact O-N 2.76Å; H57-F65 HydrophobicContact CB-CD2 4.13Å; H57-F65 HydrophobicContact CB-CE1 4.2Å; H57-F65 HydrophobicContact CB-CE2 3.6Å; H57-F65 HydrophobicContact CB-CZ 3.65Å
58	R	97.3	Very high	96.3	Very high	55 Å²	55	54.2 Å²	54.2	21%	0.208	25%	0.25	C	C	.	.	H	α-helix	trans	-58.5	-47.7	171.9	-178.4	-171.2	168.1	-157.3	-10.3	111	L54 E55 K60 H61 G62 D63 F65 M78	L54-R58 WeakPolarHBondContact O-CB 3.43Å; L54-R58 PolarHBondContact O-N 3.07Å; E55-R58 PolarHBondContact O-N 3.44Å; E55-R58 IonicContact OE1-NH1 3.6Å; E55-R58 IonicContact OE2-NH1 2.61Å; E55-R58 PolarHBondContact OE2-NH1 3.38Å; R58-K60 PolarHBondContact O-N 3.27Å; R58-H61 PolarHBondContact O-N 2.73Å; R58-G62 WeakPolarHBondContact CA-O 3.48Å; R58-G62 CarbonylContact O-C 3.53Å; R58-G62 VanDerWaalsContact O-CA 3.25Å; R58-G62 WeakPolarHBondContact O-CA 3.49Å; R58-G62 PolarHBondContact O-N 2.57Å; R58-D63 IonicContact CZ-OD1 2.58Å; R58-D63 IonicContact NE-OD1 3.5Å; R58-D63 PolarHBondContact NE-OD1 2.66Å; R58-D63 IonicContact NH2-OD1 3.35Å; R58-F65 HydrophobicContact CB-CE1 4.13Å; R58-M78 HydrophobicContact CB-CG 4.35Å; R58-M78 HydrophobicContact CG-CB 4.11Å; R58-M78 HydrophobicContact CG-CG 4.38Å
59	R	97.1	Very high	96.3	Very high	199 Å²	199	47.6 Å²	47.6	75%	0.751	22%	0.222	S	C	*	.	H	α-helix	trans	-58.8	-34.5	175.8	-71.7	174.2	-173.5	137.8	3.5	112.9	E55	E55-R59 WeakPolarHBondContact O-CG 3.5Å; E55-R59 PolarHBondContact O-N 2.95Å
60	K	97.5	Very high	96.1	Very high	161 Å²	161	45.9 Å²	45.9	70%	0.7	22%	0.218	S	C	*	.	H	α-helix	trans	-85.5	-33	-177.3	-172.2	175.3	177.5	178.1	0	114	E56 H57 R58	E56-K60 PolarHBondContact O-N 3.24Å; H57-K60 PolarHBondContact O-N 2.91Å; R58-K60 PolarHBondContact O-N 3.27Å
61	H	97.4	Very high	95.7	Very high	56 Å²	56	47 Å²	47	26%	0.259	23%	0.23	S	C	.	.	H	α-helix	trans	-121.9	-3.5	-167	-61.7	-57.8	0	0	0	114.1	P31 H57 R58 F65	P31-H61 HydrophobicContact CB-CB 4.07Å; P31-H61 HydrophobicContact CG-CB 4.18Å; H57-H61 AromaticContact CD2-CD2 3.96Å; H57-H61 WeakPolarHBondContact O-CB 3.35Å; H57-H61 PolarHBondContact O-CD2 2.83Å; H57-H61 PolarHBondContact O-N 2.76Å; R58-H61 PolarHBondContact O-N 2.73Å; H61-F65 HydrophobicContact CB-CB 3.87Å; H61-F65 HydrophobicContact CB-CD1 4.3Å; H61-F65 HydrophobicContact CB-CG 4.27Å
62	G	96.6	Very high	95.4	Very high	33 Å²	33	49.5 Å²	49.5	34%	0.34	24%	0.24	S	C	.	.			trans	81	-170.6	-171.7	0	0	0	0	0	112.3	R58 V64 F65	R58-G62 WeakPolarHBondContact CA-O 3.48Å; R58-G62 CarbonylContact O-C 3.53Å; R58-G62 VanDerWaalsContact O-CA 3.25Å; R58-G62 WeakPolarHBondContact O-CA 3.49Å; R58-G62 PolarHBondContact O-N 2.57Å; G62-V64 PolarHBondContact O-N 3.31Å; G62-F65 WeakPolarHBondContact O-CD1 3.42Å
63	D	97	Very high	95.4	Very high	49 Å²	49	45.7 Å²	45.7	26%	0.262	22%	0.223	S	C	.	.	S	Bend	trans	-77.6	-3.6	-171.3	-57.9	-60.3	0	0	0	115.2	R58 M78 D79	R58-D63 IonicContact CZ-OD1 2.58Å; R58-D63 IonicContact NE-OD1 3.5Å; R58-D63 PolarHBondContact NE-OD1 2.66Å; R58-D63 IonicContact NH2-OD1 3.35Å; D63-M78 HydrophobicContact CB-CB 4.38Å; D63-M78 PolarHBondContact O-N 2.84Å; D63-D79 HydrophobicContact CB-CB 3.69Å
64	V	97.9	Very high	95.3	Very high	18 Å²	18	46 Å²	46	11%	0.109	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	113.1	-179.8	-176.2	0	0	0	0	110.7	P30 P31 G62 T75 F76 I77 L82 L367 V373	P30-V64 HydrophobicContact CB-CG1 4.13Å; P30-V64 HydrophobicContact CG-CG1 3.92Å; P31-V64 WeakPolarHBondContact CD-O 3.37Å; G62-V64 PolarHBondContact O-N 3.31Å; V64-T75 HydrophobicContact CG1-CG2 4.12Å; V64-F76 WeakPolarHBondContact CA-O 3.29Å; V64-I77 HydrophobicContact CB-CD1 4.39Å; V64-I77 HydrophobicContact CG1-CD1 3.8Å; V64-I77 HydrophobicContact CG2-CD1 3.85Å; V64-L82 HydrophobicContact CG2-CD1 4.19Å; V64-L367 HydrophobicContact CG2-CD1 3.83Å; V64-L367 HydrophobicContact CG2-CD2 4.14Å; V64-V373 HydrophobicContact CG1-CG1 4.44Å; V64-V373 HydrophobicContact CG1-CG2 4.27Å
65	F	98.2	Very high	95.3	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	155.4	179.3	57.4	-90.3	0	0	0	111.7	P31 L54 H57 R58 H61 G62 V67 T75 F76 M78	P31-F65 HydrophobicContact CB-CB 4.42Å; L54-F65 HydrophobicContact CD2-CE2 3.98Å; L54-F65 HydrophobicContact CD2-CZ 3.95Å; H57-F65 HydrophobicContact CB-CD2 4.13Å; H57-F65 HydrophobicContact CB-CE1 4.2Å; H57-F65 HydrophobicContact CB-CE2 3.6Å; H57-F65 HydrophobicContact CB-CZ 3.65Å; R58-F65 HydrophobicContact CB-CE1 4.13Å; H61-F65 HydrophobicContact CB-CB 3.87Å; H61-F65 HydrophobicContact CB-CD1 4.3Å; H61-F65 HydrophobicContact CB-CG 4.27Å; G62-F65 WeakPolarHBondContact O-CD1 3.42Å; F65-V67 HydrophobicContact CD2-CG2 3.58Å; F65-V67 HydrophobicContact CE2-CG2 3.6Å; F65-T75 CarbonylContact O-C 3.58Å; F65-T75 WeakPolarHBondContact O-CA 3.18Å; F65-F76 HydrophobicContact CE2-CB 4.09Å; F65-F76 HydrophobicContact CE2-CD2 4.07Å; F65-F76 HydrophobicContact CE2-CG 4.35Å; F65-F76 HydrophobicContact CZ-CB 4.08Å; F65-F76 PolarHBondContact N-O 2.8Å; F65-F76 PolarHBondContact O-N 3Å; F65-M78 HydrophobicContact CE1-CG 3.7Å; F65-M78 HydrophobicContact CZ-CG 4.11Å; F65-M78 HydrophobicContact CZ-SD 4.42Å
66	T	98.1	Very high	95.4	Very high	3 Å²	3	45 Å²	45	2%	0.018	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	129.7	179.9	-53.1	0	0	0	0	110.6	P31 L32 V33 F73 M74 T75	P31-T66 PolarHBondContact O-N 3.21Å; L32-T66 CarbonylContact C-O 3.48Å; L32-T66 WeakPolarHBondContact CA-O 3.47Å; L32-T66 HydrophobicContact CD1-CG2 3.89Å; V33-T66 PolarHBondContact N-O 2.74Å; T66-F73 HydrophobicContact CG2-CB 3.99Å; T66-F73 HydrophobicContact CG2-CD1 4.46Å; T66-M74 CarbonylContact C-O 3.59Å; T66-M74 VanDerWaalsContact CA-O 3.31Å; T66-M74 WeakPolarHBondContact CA-O 3.1Å; T66-T75 PolarHBondContact OG1-OG1 3.15Å
67	V	97.1	Very high	95.4	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	134.9	177.4	-169.7	0	0	0	0	110.1	V33 K42 F53 F65 I69 M74 F76	V33-V67 HydrophobicContact CB-CG1 4.42Å; V33-V67 HydrophobicContact CB-CG2 4.23Å; V33-V67 HydrophobicContact CG1-CG1 4.46Å; V33-V67 WeakPolarHBondContact O-CA 3.13Å; K42-V67 HydrophobicContact CB-CG1 3.73Å; K42-V67 HydrophobicContact CG-CG1 4.04Å; F53-V67 HydrophobicContact CE1-CG1 4.06Å; F53-V67 HydrophobicContact CE1-CG2 4.28Å; F53-V67 HydrophobicContact CZ-CG1 3.84Å; F65-V67 HydrophobicContact CD2-CG2 3.58Å; F65-V67 HydrophobicContact CE2-CG2 3.6Å; V67-I69 HydrophobicContact CB-CD1 4.19Å; V67-I69 HydrophobicContact CB-CG1 4.12Å; V67-I69 HydrophobicContact CG1-CD1 4.03Å; V67-I69 HydrophobicContact CG1-CG1 3.66Å; V67-M74 PolarHBondContact N-O 3.27Å; V67-M74 PolarHBondContact O-N 3.29Å; V67-F76 HydrophobicContact CB-CD2 4.44Å; V67-F76 HydrophobicContact CB-CE2 4.16Å; V67-F76 HydrophobicContact CG2-CD2 3.93Å; V67-F76 HydrophobicContact CG2-CE2 4.03Å
68	Q	94.6	Very high	95.3	Very high	21 Å²	21	39.5 Å²	39.5	10%	0.098	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	116	167.1	-172.2	178.6	14.6	0	0	110.4	V33 G41 K42 K72 F73	V33-Q68 PolarHBondContact O-N 2.92Å; G41-Q68 WeakPolarHBondContact CA-O 3.44Å; K42-Q68 PolarHBondContact N-O 3.25Å; Q68-K72 CarbonylContact C-O 3.59Å; Q68-K72 VanDerWaalsContact CA-O 3.28Å; Q68-K72 WeakPolarHBondContact CA-O 3.39Å; Q68-F73 HydrophobicContact CB-CD1 4.03Å; Q68-F73 HydrophobicContact CB-CE1 3.81Å; Q68-F73 HydrophobicContact CG-CD1 4.31Å; Q68-F73 HydrophobicContact CG-CE1 3.87Å; Q68-F73 HydrophobicContact CG-CZ 4.16Å
69	I	91.4	Very high	95.3	Very high	17 Å²	17	37.7 Å²	37.7	9%	0.087	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	115.4	-179.2	-58.8	178.7	0	0	0	108.1	A43 F46 V67 G71 K72 M74 F76	A43-I69 HydrophobicContact CB-CG2 4.16Å; F46-I69 HydrophobicContact CB-CD1 4.3Å; F46-I69 HydrophobicContact CD1-CD1 4.44Å; F46-I69 HydrophobicContact CD2-CD1 3.63Å; F46-I69 HydrophobicContact CE2-CD1 4.01Å; F46-I69 HydrophobicContact CG-CD1 3.87Å; V67-I69 HydrophobicContact CB-CD1 4.19Å; V67-I69 HydrophobicContact CB-CG1 4.12Å; V67-I69 HydrophobicContact CG1-CD1 4.03Å; V67-I69 HydrophobicContact CG1-CG1 3.66Å; I69-G71 VanDerWaalsContact C-N 3.33Å; I69-G71 PolarHBondContact O-N 2.78Å; I69-K72 PolarHBondContact N-O 3.23Å; I69-K72 WeakPolarHBondContact O-CB 3.48Å; I69-K72 PolarHBondContact O-N 3.47Å; I69-M74 HydrophobicContact CB-SD 4.11Å; I69-M74 HydrophobicContact CD1-SD 3.93Å; I69-M74 HydrophobicContact CG1-SD 4.46Å; I69-M74 HydrophobicContact CG2-SD 4.48Å; I69-F76 HydrophobicContact CD1-CE2 3.94Å; I69-F76 HydrophobicContact CD1-CZ 4.05Å
70	A	87.2	Confident	95.2	Very high	35 Å²	35	28.3 Å²	28.3	29%	0.289	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.7	49.3	174.7	0	0	0	0	0	113.8	F39 V40 A43 K72	F39-A70 CarbonylContact O-C 3.51Å; V40-A70 PolarHBondContact O-N 2.82Å; V40-A70 VanDerWaalsContact O-N 3.09Å; A43-A70 HydrophobicContact CB-CB 4.21Å; A70-K72 PolarHBondContact O-N 2.99Å
71	G	85.6	Confident	95.1	Very high	27 Å²	27	22.5 Å²	22.5	28%	0.278	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.4	-7.6	178.7	0	0	0	0	0	114.8	F39 I69	F39-G71 WeakPolarHBondContact O-CA 3.43Å; F39-G71 PolarHBondContact O-N 3.13Å; I69-G71 VanDerWaalsContact C-N 3.33Å; I69-G71 PolarHBondContact O-N 2.78Å
72	K	89.5	Confident	95.1	Very high	100 Å²	100	20.1 Å²	20.1	44%	0.435	12%	0.12	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	150.2	175.6	-56.7	-60.1	-177.8	179.9	0	111	Q68 I69 A70 M74	Q68-K72 CarbonylContact C-O 3.59Å; Q68-K72 VanDerWaalsContact CA-O 3.28Å; Q68-K72 WeakPolarHBondContact CA-O 3.39Å; I69-K72 PolarHBondContact N-O 3.23Å; I69-K72 WeakPolarHBondContact O-CB 3.48Å; I69-K72 PolarHBondContact O-N 3.47Å; A70-K72 PolarHBondContact O-N 2.99Å; K72-M74 HydrophobicContact CB-CG 4.36Å
73	F	94.2	Very high	95	Very high	37 Å²	37	18.6 Å²	18.6	16%	0.162	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	112.9	169.1	-67.3	-81.2	0	0	0	108	R23 L32 T66 Q68 D379 V380	R23-F73 HydrophobicContact CB-CE1 3.62Å; R23-F73 HydrophobicContact CB-CE2 4.05Å; R23-F73 HydrophobicContact CB-CZ 3.34Å; R23-F73 HydrophobicContact CG-CE1 4.21Å; R23-F73 HydrophobicContact CG-CZ 4.21Å; R23-F73 VanDerWaalsContact NH1-CB 3.26Å; R23-F73 VanDerWaalsContact NH1-CG 3.33Å; L32-F73 HydrophobicContact CD1-CD1 3.89Å; L32-F73 HydrophobicContact CD1-CE1 4.12Å; T66-F73 HydrophobicContact CG2-CB 3.99Å; T66-F73 HydrophobicContact CG2-CD1 4.46Å; Q68-F73 HydrophobicContact CB-CD1 4.03Å; Q68-F73 HydrophobicContact CB-CE1 3.81Å; Q68-F73 HydrophobicContact CG-CD1 4.31Å; Q68-F73 HydrophobicContact CG-CE1 3.87Å; Q68-F73 HydrophobicContact CG-CZ 4.16Å; F73-D379 WeakPolarHBondContact CB-OD1 3.38Å; F73-V380 PolarHBondContact O-N 3.26Å
74	M	95.5	Very high	94.9	Very high	18 Å²	18	17.4 Å²	17.4	9%	0.089	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	111.5	-175.7	-56.7	-172	64	0	0	109.4	T66 V67 I69 K72 F76 M354 V380 A382	T66-M74 CarbonylContact C-O 3.59Å; T66-M74 VanDerWaalsContact CA-O 3.31Å; T66-M74 WeakPolarHBondContact CA-O 3.1Å; V67-M74 PolarHBondContact N-O 3.27Å; V67-M74 PolarHBondContact O-N 3.29Å; I69-M74 HydrophobicContact CB-SD 4.11Å; I69-M74 HydrophobicContact CD1-SD 3.93Å; I69-M74 HydrophobicContact CG1-SD 4.46Å; I69-M74 HydrophobicContact CG2-SD 4.48Å; K72-M74 HydrophobicContact CB-CG 4.36Å; M74-F76 HydrophobicContact CB-CD2 4.35Å; M74-F76 HydrophobicContact CB-CE2 3.74Å; M74-F76 HydrophobicContact CB-CZ 4.18Å; M74-F76 HydrophobicContact CE-CZ 4.13Å; M74-F76 HydrophobicContact SD-CZ 4.47Å; M74-M354 HydrophobicContact CE-CE 4.12Å; M74-M354 HydrophobicContact CE-SD 3.72Å; M74-V380 CarbonylContact C-O 3.51Å; M74-V380 VanDerWaalsContact CA-O 3.26Å; M74-V380 WeakPolarHBondContact CA-O 3.16Å; M74-V380 HydrophobicContact CB-CB 4.47Å; M74-V380 HydrophobicContact CE-CG1 4.05Å; M74-V380 HydrophobicContact CG-CB 4.05Å; M74-A382 HydrophobicContact CE-CB 3.98Å
75	T	97.6	Very high	94.6	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	109.2	171.8	-61.5	0	0	0	0	109	P30 V64 F65 T66 I77 V380 I381 A382	P30-T75 HydrophobicContact CG-CG2 3.92Å; V64-T75 HydrophobicContact CG1-CG2 4.12Å; F65-T75 CarbonylContact O-C 3.58Å; F65-T75 WeakPolarHBondContact O-CA 3.18Å; T66-T75 PolarHBondContact OG1-OG1 3.15Å; T75-I77 HydrophobicContact CG2-CD1 4.36Å; T75-V380 PolarHBondContact N-O 3.07Å; T75-I381 HydrophobicContact CG2-CD1 4.22Å; T75-I381 WeakPolarHBondContact O-CA 3.49Å; T75-A382 PolarHBondContact O-N 3.36Å
76	F	97.8	Very high	94.3	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	134.6	177.3	-72.5	-85.8	0	0	0	110.6	F46 L54 V64 F65 V67 I69 M74 M78 M354 A382	F46-F76 HydrophobicContact CE2-CE1 4.28Å; F46-F76 AromaticContact CE2-CZ 3.76Å; F46-F76 HydrophobicContact CE2-CZ 3.76Å; F46-F76 HydrophobicContact CZ-CZ 4.31Å; L54-F76 HydrophobicContact CD1-CD1 3.95Å; L54-F76 HydrophobicContact CD1-CE1 3.76Å; L54-F76 HydrophobicContact CD1-CZ 4.38Å; L54-F76 HydrophobicContact CD2-CD1 3.75Å; L54-F76 HydrophobicContact CD2-CD2 3.74Å; L54-F76 HydrophobicContact CD2-CE1 3.79Å; L54-F76 HydrophobicContact CD2-CE2 3.78Å; L54-F76 HydrophobicContact CD2-CG 3.73Å; L54-F76 HydrophobicContact CD2-CZ 3.81Å; L54-F76 HydrophobicContact CG-CE1 4.43Å; V64-F76 WeakPolarHBondContact CA-O 3.29Å; F65-F76 HydrophobicContact CE2-CB 4.09Å; F65-F76 HydrophobicContact CE2-CD2 4.07Å; F65-F76 HydrophobicContact CE2-CG 4.35Å; F65-F76 HydrophobicContact CZ-CB 4.08Å; F65-F76 PolarHBondContact N-O 2.8Å; F65-F76 PolarHBondContact O-N 3Å; V67-F76 HydrophobicContact CB-CD2 4.44Å; V67-F76 HydrophobicContact CB-CE2 4.16Å; V67-F76 HydrophobicContact CG2-CD2 3.93Å; V67-F76 HydrophobicContact CG2-CE2 4.03Å; I69-F76 HydrophobicContact CD1-CE2 3.94Å; I69-F76 HydrophobicContact CD1-CZ 4.05Å; M74-F76 HydrophobicContact CB-CD2 4.35Å; M74-F76 HydrophobicContact CB-CE2 3.74Å; M74-F76 HydrophobicContact CB-CZ 4.18Å; M74-F76 HydrophobicContact CE-CZ 4.13Å; M74-F76 HydrophobicContact SD-CZ 4.47Å; F76-M78 HydrophobicContact CB-CG 4.4Å; F76-M78 HydrophobicContact CB-SD 4.11Å; F76-M354 HydrophobicContact CE1-SD 3.88Å; F76-M354 HydrophobicContact CZ-SD 4.18Å; F76-A382 WeakPolarHBondContact CA-O 3.29Å; F76-A382 HydrophobicContact CD1-CB 3.86Å; F76-A382 HydrophobicContact CE1-CB 3.8Å; F76-A382 HydrophobicContact CZ-CB 4.42Å
77	I	97.3	Very high	93.9	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	111.8	167.7	-48.1	-61.5	0	0	0	106	V64 T75 L82 Y83 I86 L365 L367 I381 A382 L383	V64-I77 HydrophobicContact CB-CD1 4.39Å; V64-I77 HydrophobicContact CG1-CD1 3.8Å; V64-I77 HydrophobicContact CG2-CD1 3.85Å; T75-I77 HydrophobicContact CG2-CD1 4.36Å; I77-L82 HydrophobicContact CG2-CB 3.8Å; I77-L82 HydrophobicContact CG2-CD1 4.03Å; I77-Y83 HydrophobicContact CG2-CD1 4.33Å; I77-Y83 HydrophobicContact CG2-CE1 4.37Å; I77-Y83 WeakPolarHBondContact O-CE1 3.3Å; I77-I86 HydrophobicContact CG1-CG1 4.26Å; I77-I86 HydrophobicContact CG2-CG1 4.34Å; I77-L365 HydrophobicContact CD1-CD2 4.21Å; I77-L367 HydrophobicContact CD1-CD2 3.98Å; I77-I381 HydrophobicContact CG1-CG2 4.16Å; I77-A382 PolarHBondContact N-O 3.27Å; I77-L383 HydrophobicContact CB-CD2 3.76Å; I77-L383 HydrophobicContact CG1-CD2 4.1Å; I77-L383 HydrophobicContact CG2-CD2 4.35Å
78	M	96.9	Very high	93.5	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	14%	0.143	C	C	.	.			trans	-101.9	-20.3	-171.8	-60.3	-62.8	-67.1	0	0	113.3	L54 E55 R58 D63 F65 F76 P80 S387	L54-M78 HydrophobicContact CB-CE 3.69Å; L54-M78 HydrophobicContact CB-SD 4.22Å; L54-M78 HydrophobicContact CD1-CE 4.5Å; L54-M78 HydrophobicContact CD1-SD 4.39Å; E55-M78 WeakPolarHBondContact OE1-CE 3.48Å; R58-M78 HydrophobicContact CB-CG 4.35Å; R58-M78 HydrophobicContact CG-CB 4.11Å; R58-M78 HydrophobicContact CG-CG 4.38Å; D63-M78 HydrophobicContact CB-CB 4.38Å; D63-M78 PolarHBondContact O-N 2.84Å; F65-M78 HydrophobicContact CE1-CG 3.7Å; F65-M78 HydrophobicContact CZ-CG 4.11Å; F65-M78 HydrophobicContact CZ-SD 4.42Å; F76-M78 HydrophobicContact CB-CG 4.4Å; F76-M78 HydrophobicContact CB-SD 4.11Å; M78-P80 WeakPolarHBondContact O-CD 3.31Å; M78-S387 WeakPolarHBondContact CE-OG 3.39Å
79	D	96.1	Very high	92.9	Very high	16 Å²	16	27.5 Å²	27.5	9%	0.086	15%	0.146	C	C	.	.			trans	-83	114.8	176.3	176.5	9.8	0	0	0	110.5	D63 L81 L82 Y83	D63-D79 HydrophobicContact CB-CB 3.69Å; D79-L81 PolarHBondContact O-N 3.46Å; D79-L81 WeakPolarHBondContact OD1-CB 3.48Å; D79-L81 PolarHBondContact OD1-N 3.34Å; D79-L82 HydrophobicContact CB-CD1 4.01Å; D79-L82 HydrophobicContact CB-CG 4.01Å; D79-L82 WeakPolarHBondContact O-CB 3.32Å; D79-L82 PolarHBondContact O-N 2.8Å; D79-L82 VanDerWaalsContact O-N 3.08Å; D79-Y83 WeakPolarHBondContact O-CD1 3.34Å
80	P	96.1	Very high	91.9	Very high	3 Å²	3	29.1 Å²	29.1	2%	0.019	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-64.9	-20.9	-179.8	28.9	-36.6	0	0	0	113.7	M78 L82 Y83 L388 K418 L423	M78-P80 WeakPolarHBondContact O-CD 3.31Å; P80-L82 PolarHBondContact O-N 2.89Å; P80-Y83 HydrophobicContact CB-CD2 4.28Å; P80-Y83 HydrophobicContact CB-CE2 4.23Å; P80-Y83 WeakPolarHBondContact O-CB 3.36Å; P80-Y83 PolarHBondContact O-N 2.95Å; P80-L388 HydrophobicContact CB-CB 4.16Å; P80-L388 HydrophobicContact CB-CD1 3.9Å; P80-L388 HydrophobicContact CB-CD2 4.03Å; P80-L388 HydrophobicContact CB-CG 4.24Å; P80-L388 HydrophobicContact CG-CB 4.39Å; P80-L388 HydrophobicContact CG-CD1 3.93Å; P80-K418 HydrophobicContact CG-CD 3.78Å; P80-L423 HydrophobicContact CB-CD2 4.07Å; P80-L423 HydrophobicContact CG-CD2 4.06Å
81	L	96.1	Very high	91.2	Very high	39 Å²	39	39.2 Å²	39.2	20%	0.204	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-66.1	-23.4	174.5	-64.6	171.8	0	0	0	111.9	D79 P84 D419 Q421 L423	D79-L81 PolarHBondContact O-N 3.46Å; D79-L81 WeakPolarHBondContact OD1-CB 3.48Å; D79-L81 PolarHBondContact OD1-N 3.34Å; L81-P84 WeakPolarHBondContact O-CD 3.48Å; L81-D419 HydrophobicContact CD1-CB 4.31Å; L81-Q421 HydrophobicContact CD2-CB 3.88Å; L81-L423 HydrophobicContact CD2-CD2 3.83Å; L81-L423 HydrophobicContact CG-CD2 4.4Å
82	L	95.8	Very high	90.7	Very high	6 Å²	6	40.6 Å²	40.6	3%	0.031	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-83	-21.3	176.3	-56.3	-179.5	0	0	0	113	V64 I77 D79 P80 P84 S85 I86 L367 D368	V64-L82 HydrophobicContact CG2-CD1 4.19Å; I77-L82 HydrophobicContact CG2-CB 3.8Å; I77-L82 HydrophobicContact CG2-CD1 4.03Å; D79-L82 HydrophobicContact CB-CD1 4.01Å; D79-L82 HydrophobicContact CB-CG 4.01Å; D79-L82 WeakPolarHBondContact O-CB 3.32Å; D79-L82 PolarHBondContact O-N 2.8Å; D79-L82 VanDerWaalsContact O-N 3.08Å; P80-L82 PolarHBondContact O-N 2.89Å; L82-P84 VanDerWaalsContact C-CD 3.44Å; L82-S85 WeakPolarHBondContact O-CB 3.22Å; L82-S85 PolarHBondContact O-N 2.62Å; L82-I86 WeakPolarHBondContact O-CG1 3.31Å; L82-I86 PolarHBondContact O-N 3.4Å; L82-L367 HydrophobicContact CD1-CB 4.36Å; L82-L367 HydrophobicContact CD2-CB 4.28Å; L82-D368 HydrophobicContact CD2-CB 4.29Å
83	Y	95.3	Very high	90	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-53.1	-44.1	-173.7	-70.8	6.9	0	0	0	113.4	I77 D79 P80 S85 I86 I87 L383 Y384 P385 L388 M428	I77-Y83 HydrophobicContact CG2-CD1 4.33Å; I77-Y83 HydrophobicContact CG2-CE1 4.37Å; I77-Y83 WeakPolarHBondContact O-CE1 3.3Å; D79-Y83 WeakPolarHBondContact O-CD1 3.34Å; P80-Y83 HydrophobicContact CB-CD2 4.28Å; P80-Y83 HydrophobicContact CB-CE2 4.23Å; P80-Y83 WeakPolarHBondContact O-CB 3.36Å; P80-Y83 PolarHBondContact O-N 2.95Å; Y83-S85 VanDerWaalsContact C-N 3.29Å; Y83-S85 PolarHBondContact O-N 2.88Å; Y83-I86 PolarHBondContact O-N 3.13Å; Y83-I87 WeakPolarHBondContact O-CB 3.21Å; Y83-I87 WeakPolarHBondContact O-CD1 3.2Å; Y83-I87 WeakPolarHBondContact O-CG1 3.49Å; Y83-I87 PolarHBondContact O-N 2.81Å; Y83-L383 HydrophobicContact CD1-CB 4.36Å; Y83-L383 HydrophobicContact CD1-CD1 4.08Å; Y83-L383 HydrophobicContact CD1-CD2 3.77Å; Y83-L383 HydrophobicContact CD1-CG 4.29Å; Y83-L383 HydrophobicContact CD2-CD1 4.14Å; Y83-L383 HydrophobicContact CE1-CB 3.94Å; Y83-L383 HydrophobicContact CE1-CD1 4.49Å; Y83-L383 HydrophobicContact CE1-CD2 3.91Å; Y83-L383 HydrophobicContact CE1-CG 4.33Å; Y83-L383 HydrophobicContact CE2-CB 4.22Å; Y83-L383 HydrophobicContact CG-CD1 3.88Å; Y83-L383 HydrophobicContact CG-CD2 4.4Å; Y83-Y384 PolarHBondContact OH-N 2.89Å; Y83-Y384 PolarHBondContact OH-O 2.99Å; Y83-P385 HydrophobicContact CE2-CG 4.36Å; Y83-L388 HydrophobicContact CE2-CD2 4.4Å; Y83-M428 HydrophobicContact CD2-CE 4.27Å; Y83-M428 HydrophobicContact CD2-SD 3.55Å; Y83-M428 VanDerWaalsContact CD2-SD 3.55Å; Y83-M428 HydrophobicContact CE2-SD 3.79Å
84	P	94	Very high	89	Confident	24 Å²	24	36.4 Å²	36.4	16%	0.156	18%	0.181	C	C	.	.	H	α-helix	trans	-58.5	-36.5	178.7	-25.3	36.5	0	0	0	114.5	L81 L82 K88 R424 Y425	L81-P84 WeakPolarHBondContact O-CD 3.48Å; L82-P84 VanDerWaalsContact C-CD 3.44Å; P84-K88 WeakPolarHBondContact O-CB 3.35Å; P84-K88 WeakPolarHBondContact O-CG 3.08Å; P84-K88 PolarHBondContact O-N 2.75Å; P84-R424 HydrophobicContact CG-CB 3.91Å; P84-Y425 HydrophobicContact CB-CE2 4.21Å; P84-Y425 HydrophobicContact CG-CD2 3.99Å; P84-Y425 HydrophobicContact CG-CE2 3.94Å
85	S	91.8	Very high	87.9	Confident	33 Å²	33	37.8 Å²	37.8	23%	0.231	19%	0.187	C	C	.	.	H	α-helix	trans	-67.3	-46.3	177.8	-62.1	0	0	0	0	110.8	L82 Y83 K88 Q89 L367	L82-S85 WeakPolarHBondContact O-CB 3.22Å; L82-S85 PolarHBondContact O-N 2.62Å; Y83-S85 VanDerWaalsContact C-N 3.29Å; Y83-S85 PolarHBondContact O-N 2.88Å; S85-K88 PolarHBondContact O-N 2.67Å; S85-Q89 PolarHBondContact O-N 2.91Å; S85-L367 WeakPolarHBondContact CB-O 3.48Å; S85-L367 PolarHBondContact OG-O 3.41Å; S85-L367 VanDerWaalsContact OG-O 3.12Å
86	I	92.1	Very high	86.5	Confident	7 Å²	7	39.3 Å²	39.3	4%	0.036	19%	0.194	C	C	.	.	H	α-helix	trans	-66.5	-46.7	-178.8	-51.9	-52.2	0	0	0	111	I77 L82 Y83 K88 Q89 L93 L365 L367 I381 L383	I77-I86 HydrophobicContact CG1-CG1 4.26Å; I77-I86 HydrophobicContact CG2-CG1 4.34Å; L82-I86 WeakPolarHBondContact O-CG1 3.31Å; L82-I86 PolarHBondContact O-N 3.4Å; Y83-I86 PolarHBondContact O-N 3.13Å; I86-K88 VanDerWaalsContact C-N 3.26Å; I86-K88 PolarHBondContact O-N 3.24Å; I86-Q89 PolarHBondContact O-N 2.77Å; I86-Q89 VanDerWaalsContact O-N 3.13Å; I86-L93 HydrophobicContact CG2-CD1 4.26Å; I86-L365 HydrophobicContact CD1-CD1 4.01Å; I86-L365 HydrophobicContact CD1-CD2 3.96Å; I86-L365 HydrophobicContact CD1-CG 3.93Å; I86-L367 HydrophobicContact CD1-CD2 4.1Å; I86-I381 HydrophobicContact CG2-CG2 3.92Å; I86-L383 HydrophobicContact CB-CD2 4.35Å; I86-L383 HydrophobicContact CG2-CD2 4.13Å
87	I	90.9	Very high	84.8	Confident	25 Å²	25	41.7 Å²	41.7	13%	0.128	21%	0.205	C	C	.	.	H	α-helix	trans	-63.5	-33.6	-178.9	-66.5	160.2	0	0	0	111.4	Y83 L383 Y425 M428 S432	Y83-I87 WeakPolarHBondContact O-CB 3.21Å; Y83-I87 WeakPolarHBondContact O-CD1 3.2Å; Y83-I87 WeakPolarHBondContact O-CG1 3.49Å; Y83-I87 PolarHBondContact O-N 2.81Å; I87-L383 HydrophobicContact CD1-CD1 3.97Å; I87-L383 HydrophobicContact CG1-CD1 3.87Å; I87-Y425 HydrophobicContact CD1-CD2 3.82Å; I87-Y425 HydrophobicContact CD1-CE1 4.29Å; I87-Y425 HydrophobicContact CD1-CE2 3.41Å; I87-Y425 VanDerWaalsContact CD1-CE2 3.41Å; I87-Y425 HydrophobicContact CD1-CG 4.43Å; I87-M428 HydrophobicContact CD1-CE 4.2Å; I87-S432 WeakPolarHBondContact CD1-OG 3.34Å; I87-S432 WeakPolarHBondContact CG1-OG 3.4Å
88	K	87.6	Confident	83.4	Confident	152 Å²	152	44.5 Å²	44.5	66%	0.661	22%	0.217	S	C	*	.	H	α-helix	trans	-74.5	-23.8	177.4	-77.6	177.2	179.4	180	0	113.2	P84 S85 I86 G90	P84-K88 WeakPolarHBondContact O-CB 3.35Å; P84-K88 WeakPolarHBondContact O-CG 3.08Å; P84-K88 PolarHBondContact O-N 2.75Å; S85-K88 PolarHBondContact O-N 2.67Å; I86-K88 VanDerWaalsContact C-N 3.26Å; I86-K88 PolarHBondContact O-N 3.24Å; K88-G90 VanDerWaalsContact C-N 3.31Å; K88-G90 PolarHBondContact O-N 3.03Å
89	Q	82	Confident	82	Confident	37 Å²	37	45.9 Å²	45.9	17%	0.173	23%	0.226	C	C	.	.			trans	-77.9	75.6	-179.3	-81.5	-168.4	-48.3	0	0	111.7	S85 I86 L93 R366	S85-Q89 PolarHBondContact O-N 2.91Å; I86-Q89 PolarHBondContact O-N 2.77Å; I86-Q89 VanDerWaalsContact O-N 3.13Å; Q89-L93 HydrophobicContact CB-CD1 4.45Å; Q89-L93 WeakPolarHBondContact O-CB 3.42Å; Q89-R366 PolarHBondContact OE1-O 2.93Å
90	G	71.3	Confident	81	Confident	52 Å²	52	46.4 Å²	46.4	54%	0.536	23%	0.229	S	C	.	.			trans	-89	-17.2	-173.1	0	0	0	0	0	117.4	K88	K88-G90 VanDerWaalsContact C-N 3.31Å; K88-G90 PolarHBondContact O-N 3.03Å
91	R	72.3	Confident	80.3	Confident	247 Å²	247	51.5 Å²	51.5	93%	0.932	25%	0.251	S	S	*	.	S	Bend	trans	-71.8	-34.7	-173.7	-80.7	-174.8	169.3	179.4	-3.2	114
92	Q	75.1	Confident	79.8	Confident	56 Å²	56	49.9 Å²	49.9	26%	0.262	24%	0.242	S	C	.	.	S	Bend	trans	-106.5	-8.2	-172.8	-63.6	166.8	-60.3	0	0	112.4	Q360 E361 F363	Q92-Q360 PolarHBondContact O-N 2.94Å; Q92-E361 HydrophobicContact CG-CG 4.44Å; Q92-E361 WeakPolarHBondContact CG-OE1 3.48Å; Q92-E361 PolarHBondContact NE2-OE1 2.74Å; Q92-F363 HydrophobicContact CB-CD1 4.32Å; Q92-F363 HydrophobicContact CB-CD2 4.12Å; Q92-F363 HydrophobicContact CB-CE1 4.3Å; Q92-F363 HydrophobicContact CB-CE2 4.1Å; Q92-F363 HydrophobicContact CB-CG 4.23Å; Q92-F363 HydrophobicContact CB-CZ 4.2Å; Q92-F363 HydrophobicContact CG-CD2 4.43Å; Q92-F363 VanDerWaalsContact OE1-CD2 3.27Å
93	L	74.7	Confident	79.5	Confident	6 Å²	6	50.6 Å²	50.6	3%	0.031	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	113.4	-176.8	-71.2	-176.6	0	0	0	109.2	I86 Q89 R357 F363 L365 I381	I86-L93 HydrophobicContact CG2-CD1 4.26Å; Q89-L93 HydrophobicContact CB-CD1 4.45Å; Q89-L93 WeakPolarHBondContact O-CB 3.42Å; L93-R357 HydrophobicContact CB-CB 3.8Å; L93-R357 HydrophobicContact CB-CG 4.05Å; L93-R357 HydrophobicContact CD1-CB 4.35Å; L93-R357 HydrophobicContact CD1-CG 4.49Å; L93-R357 HydrophobicContact CD2-CB 4.06Å; L93-R357 HydrophobicContact CG-CB 4.3Å; L93-F363 HydrophobicContact CD2-CE1 4.16Å; L93-F363 HydrophobicContact CD2-CZ 3.77Å; L93-F363 HydrophobicContact CG-CZ 4.05Å; L93-L365 HydrophobicContact CD1-CD1 4.03Å; L93-I381 HydrophobicContact CD2-CB 4.33Å; L93-I381 HydrophobicContact CD2-CG1 3.64Å
94	D	73.9	Confident	79.3	Confident	43 Å²	43	51 Å²	51	23%	0.23	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	132.8	179.6	-170.2	22.7	0	0	0	112	H96 E97 V358 Q360	D94-H96 VanDerWaalsContact OD1-CB 3.25Å; D94-H96 WeakPolarHBondContact OD1-CB 3.41Å; D94-H96 IonicContact OD1-CD2 2.82Å; D94-H96 PolarHBondContact OD1-CD2 2.94Å; D94-H96 IonicContact OD1-CG 3.85Å; D94-H96 PolarHBondContact OD1-N 3.13Å; D94-H96 WeakPolarHBondContact OD2-CB 3.45Å; D94-H96 PolarHBondContact OD2-N 3.31Å; D94-E97 PolarHBondContact OD2-N 2.96Å; D94-V358 PolarHBondContact N-O 3.37Å; D94-V358 PolarHBondContact O-N 3.38Å; D94-Q360 HydrophobicContact CB-CG 3.93Å
95	F	70.9	Confident	79.3	Confident	46 Å²	46	55.1 Å²	55.1	20%	0.202	27%	0.272	C	S	.	.	S	Bend	trans	-87.6	-26	167	-178.3	-114.2	0	0	0	111	F98 T99 I356	F95-F98 WeakPolarHBondContact O-CB 3.33Å; F95-F98 PolarHBondContact O-N 3.21Å; F95-T99 HydrophobicContact CD1-CG2 3.95Å; F95-T99 HydrophobicContact CE1-CG2 3.49Å; F95-T99 VanDerWaalsContact CE1-CG2 3.49Å; F95-T99 HydrophobicContact CZ-CG2 3.95Å; F95-T99 PolarHBondContact O-N 2.89Å; F95-I356 HydrophobicContact CD2-CG1 4.11Å; F95-I356 WeakPolarHBondContact CD2-O 3.14Å; F95-I356 HydrophobicContact CE2-CD1 4.48Å; F95-I356 HydrophobicContact CE2-CG1 3.91Å
96	H	68.4	Low	79.4	Confident	33 Å²	33	53.6 Å²	53.6	15%	0.153	26%	0.261	C	S	.	.	H	α-helix	trans	-71.7	-33.3	-169.6	-60.1	-51.8	0	0	0	112.7	D94 F98 T99 D100 L113 W121 K125	D94-H96 VanDerWaalsContact OD1-CB 3.25Å; D94-H96 WeakPolarHBondContact OD1-CB 3.41Å; D94-H96 IonicContact OD1-CD2 2.82Å; D94-H96 PolarHBondContact OD1-CD2 2.94Å; D94-H96 IonicContact OD1-CG 3.85Å; D94-H96 PolarHBondContact OD1-N 3.13Å; D94-H96 WeakPolarHBondContact OD2-CB 3.45Å; D94-H96 PolarHBondContact OD2-N 3.31Å; H96-F98 VanDerWaalsContact C-N 3.27Å; H96-F98 PolarHBondContact O-N 2.75Å; H96-T99 VanDerWaalsContact CA-OG1 3.24Å; H96-T99 WeakPolarHBondContact CA-OG1 3.22Å; H96-T99 CarbonylContact O-C 3.47Å; H96-T99 PolarHBondContact O-N 2.82Å; H96-T99 PolarHBondContact O-OG1 3.29Å; H96-D100 WeakPolarHBondContact O-CB 3.15Å; H96-D100 PolarHBondContact O-N 3.44Å; H96-L113 HydrophobicContact CB-CD1 4.34Å; H96-W121 AromaticContact CE1-CZ2 3.84Å; H96-W121 AromaticContact ND1-CZ2 3.41Å; H96-W121 WeakPolarHBondContact ND1-CZ2 3.31Å; H96-K125 PolarHBondContact NE2-NZ 2.84Å
97	E	63.5	Low	79.6	Confident	49 Å²	49	53.8 Å²	53.8	23%	0.229	26%	0.262	C	S	.	.	H	α-helix	trans	-58.8	-35.8	171.8	-165.7	-173.6	-179.1	0	0	112.8	D94 K101 V358 Q360	D94-E97 PolarHBondContact OD2-N 2.96Å; E97-K101 HydrophobicContact CG-CD 4.14Å; E97-K101 WeakPolarHBondContact O-CB 3.38Å; E97-K101 WeakPolarHBondContact O-CG 3.09Å; E97-K101 PolarHBondContact O-N 3.38Å; E97-K101 WeakPolarHBondContact OE1-CE 3.46Å; E97-K101 IonicContact OE1-NZ 2.64Å; E97-K101 PolarHBondContact OE1-NZ 2.93Å; E97-V358 WeakPolarHBondContact OE2-CG1 3.5Å; E97-Q360 PolarHBondContact OE2-NE2 3.32Å; E97-Q360 PolarHBondContact OE2-OE1 3.38Å
98	F	66.4	Low	79.8	Confident	59 Å²	59	54 Å²	54	26%	0.259	27%	0.27	S	S	.	.	H	α-helix	trans	-66.7	-46.7	172.5	178.5	-91.5	0	0	0	110.6	F95 H96 D100 K101 V102 I214 I356	F95-F98 WeakPolarHBondContact O-CB 3.33Å; F95-F98 PolarHBondContact O-N 3.21Å; H96-F98 VanDerWaalsContact C-N 3.27Å; H96-F98 PolarHBondContact O-N 2.75Å; F98-D100 VanDerWaalsContact C-N 3.29Å; F98-D100 PolarHBondContact O-N 3.41Å; F98-K101 PolarHBondContact O-N 3.47Å; F98-V102 HydrophobicContact CD2-CB 4.41Å; F98-V102 HydrophobicContact CD2-CG2 3.71Å; F98-V102 HydrophobicContact CE1-CB 4.35Å; F98-V102 HydrophobicContact CE1-CG1 4.5Å; F98-V102 HydrophobicContact CE2-CB 4.17Å; F98-V102 HydrophobicContact CE2-CG1 4.28Å; F98-V102 HydrophobicContact CE2-CG2 3.66Å; F98-V102 HydrophobicContact CG-CG2 4.25Å; F98-V102 HydrophobicContact CZ-CB 4.14Å; F98-V102 HydrophobicContact CZ-CG1 4.01Å; F98-V102 HydrophobicContact CZ-CG2 4.15Å; F98-V102 VanDerWaalsContact O-CB 3.29Å; F98-V102 WeakPolarHBondContact O-CB 3.46Å; F98-V102 WeakPolarHBondContact O-CG2 3.09Å; F98-V102 PolarHBondContact O-N 3.18Å; F98-I214 HydrophobicContact CE2-CG2 4.47Å; F98-I214 HydrophobicContact CZ-CD1 4.42Å; F98-I214 HydrophobicContact CZ-CG2 3.99Å; F98-I356 HydrophobicContact CB-CD1 4.35Å; F98-I356 HydrophobicContact CD1-CD1 3.82Å; F98-I356 HydrophobicContact CD2-CD1 3.59Å; F98-I356 HydrophobicContact CE1-CD1 3.94Å; F98-I356 HydrophobicContact CE2-CD1 3.71Å; F98-I356 HydrophobicContact CG-CD1 3.65Å; F98-I356 HydrophobicContact CZ-CD1 3.88Å
99	T	68	Low	80.1	Confident	31 Å²	31	48.2 Å²	48.2	19%	0.19	24%	0.244	C	C	.	.	H	α-helix	trans	-64.1	-32.6	178.5	56.5	0	0	0	0	113.1	F95 H96 A103 P104	F95-T99 HydrophobicContact CD1-CG2 3.95Å; F95-T99 HydrophobicContact CE1-CG2 3.49Å; F95-T99 VanDerWaalsContact CE1-CG2 3.49Å; F95-T99 HydrophobicContact CZ-CG2 3.95Å; F95-T99 PolarHBondContact O-N 2.89Å; H96-T99 VanDerWaalsContact CA-OG1 3.24Å; H96-T99 WeakPolarHBondContact CA-OG1 3.22Å; H96-T99 CarbonylContact O-C 3.47Å; H96-T99 PolarHBondContact O-N 2.82Å; H96-T99 PolarHBondContact O-OG1 3.29Å; T99-A103 VanDerWaalsContact O-CB 3.23Å; T99-A103 WeakPolarHBondContact O-CB 3.22Å; T99-A103 PolarHBondContact O-N 2.79Å; T99-P104 WeakPolarHBondContact O-CD 3.46Å
100	D	75.1	Confident	80.6	Confident	26 Å²	26	48.2 Å²	48.2	14%	0.139	25%	0.247	C	C	.	.	H	α-helix	trans	-84.1	-20.1	-176.8	-165.2	57.7	0	0	0	114.1	H96 F98 P104 V112 L113	H96-D100 WeakPolarHBondContact O-CB 3.15Å; H96-D100 PolarHBondContact O-N 3.44Å; F98-D100 VanDerWaalsContact C-N 3.29Å; F98-D100 PolarHBondContact O-N 3.41Å; D100-P104 WeakPolarHBondContact O-CD 3.3Å; D100-P104 WeakPolarHBondContact O-CG 3.18Å; D100-V112 PolarHBondContact OD1-N 2.91Å; D100-L113 HydrophobicContact CB-CB 4.33Å; D100-L113 HydrophobicContact CB-CD1 3.51Å; D100-L113 HydrophobicContact CB-CG 4.5Å; D100-L113 WeakPolarHBondContact OD1-CB 3.44Å; D100-L113 PolarHBondContact OD1-N 3.2Å; D100-L113 VanDerWaalsContact OD1-N 3.07Å
101	K	81.1	Confident	81.6	Confident	110 Å²	110	48.9 Å²	48.9	48%	0.478	24%	0.242	S	C	.	.	H	α-helix	trans	-98.8	-45.4	176.1	-66.1	-176.9	-175	175.9	0	111.7	E97 F98 L105	E97-K101 HydrophobicContact CG-CD 4.14Å; E97-K101 WeakPolarHBondContact O-CB 3.38Å; E97-K101 WeakPolarHBondContact O-CG 3.09Å; E97-K101 PolarHBondContact O-N 3.38Å; E97-K101 WeakPolarHBondContact OE1-CE 3.46Å; E97-K101 IonicContact OE1-NZ 2.64Å; E97-K101 PolarHBondContact OE1-NZ 2.93Å; F98-K101 PolarHBondContact O-N 3.47Å; K101-L105 WeakPolarHBondContact O-CD1 3.37Å; K101-L105 VanDerWaalsContact O-CG 3.28Å; K101-L105 WeakPolarHBondContact O-CG 3.19Å
102	V	85.3	Confident	82.2	Confident	5 Å²	5	37.5 Å²	37.5	3%	0.03	20%	0.2	C	C	.	.	H	α-helix	trans	-84.2	-41.8	-169.2	-176.6	0	0	0	0	111.7	F98 L105 T106 I214	F98-V102 HydrophobicContact CD2-CB 4.41Å; F98-V102 HydrophobicContact CD2-CG2 3.71Å; F98-V102 HydrophobicContact CE1-CB 4.35Å; F98-V102 HydrophobicContact CE1-CG1 4.5Å; F98-V102 HydrophobicContact CE2-CB 4.17Å; F98-V102 HydrophobicContact CE2-CG1 4.28Å; F98-V102 HydrophobicContact CE2-CG2 3.66Å; F98-V102 HydrophobicContact CG-CG2 4.25Å; F98-V102 HydrophobicContact CZ-CB 4.14Å; F98-V102 HydrophobicContact CZ-CG1 4.01Å; F98-V102 HydrophobicContact CZ-CG2 4.15Å; F98-V102 VanDerWaalsContact O-CB 3.29Å; F98-V102 WeakPolarHBondContact O-CB 3.46Å; F98-V102 WeakPolarHBondContact O-CG2 3.09Å; F98-V102 PolarHBondContact O-N 3.18Å; V102-L105 PolarHBondContact O-N 3.12Å; V102-T106 VanDerWaalsContact O-CB 3.3Å; V102-T106 WeakPolarHBondContact O-CB 3.49Å; V102-T106 PolarHBondContact O-N 2.77Å; V102-T106 PolarHBondContact O-OG1 3.46Å; V102-I214 HydrophobicContact CG1-CD1 3.52Å
103	A	89.6	Confident	82.3	Confident	21 Å²	21	38.3 Å²	38.3	17%	0.174	21%	0.206	C	C	.	.	H	α-helix	trans	-67.8	-45	-177.5	0	0	0	0	0	112.8	T99 L105 T106 F107 Y109	T99-A103 VanDerWaalsContact O-CB 3.23Å; T99-A103 WeakPolarHBondContact O-CB 3.22Å; T99-A103 PolarHBondContact O-N 2.79Å; A103-L105 VanDerWaalsContact C-N 3.33Å; A103-L105 PolarHBondContact O-N 2.85Å; A103-T106 PolarHBondContact O-N 2.69Å; A103-F107 HydrophobicContact CB-CD2 4.29Å; A103-F107 WeakPolarHBondContact O-CD2 3.29Å; A103-F107 PolarHBondContact O-N 2.64Å; A103-Y109 VanDerWaalsContact CB-OH 3.23Å; A103-Y109 WeakPolarHBondContact CB-OH 3.48Å
104	P	92.6	Very high	82.3	Confident	9 Å²	9	40.3 Å²	40.3	6%	0.058	23%	0.227	C	C	.	.	H	α-helix	trans	-51.9	-46.6	171.5	-35.8	43.3	0	0	0	113.9	T99 D100 G108 Y109 P111	T99-P104 WeakPolarHBondContact O-CD 3.46Å; D100-P104 WeakPolarHBondContact O-CD 3.3Å; D100-P104 WeakPolarHBondContact O-CG 3.18Å; P104-G108 VanDerWaalsContact O-CA 3.29Å; P104-G108 WeakPolarHBondContact O-CA 3.24Å; P104-G108 PolarHBondContact O-N 3.38Å; P104-Y109 WeakPolarHBondContact CA-O 3.14Å; P104-Y109 HydrophobicContact CB-CD2 4.21Å; P104-Y109 HydrophobicContact CB-CE2 4.12Å; P104-Y109 WeakPolarHBondContact CB-O 3.36Å; P104-Y109 HydrophobicContact CG-CD2 4.09Å; P104-Y109 HydrophobicContact CG-CE2 3.59Å; P104-Y109 PolarHBondContact O-N 3.02Å; P104-P111 HydrophobicContact CB-CG 4.05Å; P104-P111 HydrophobicContact CG-CB 4.3Å; P104-P111 HydrophobicContact CG-CG 4.13Å
105	L	92.6	Very high	82.5	Confident	111 Å²	111	44.6 Å²	44.6	58%	0.581	26%	0.256	S	S	*	.	H	α-helix	trans	-65.8	-41.3	178.6	-70.1	174.5	0	0	0	112.3	K101 V102 A103 R229	K101-L105 WeakPolarHBondContact O-CD1 3.37Å; K101-L105 VanDerWaalsContact O-CG 3.28Å; K101-L105 WeakPolarHBondContact O-CG 3.19Å; V102-L105 PolarHBondContact O-N 3.12Å; A103-L105 VanDerWaalsContact C-N 3.33Å; A103-L105 PolarHBondContact O-N 2.85Å; L105-R229 PolarHBondContact O-NH1 3.29Å
106	T	94.6	Very high	83.2	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.006	27%	0.267	C	S	.	.	H	α-helix	trans	-66.5	-50.1	-178.1	-61.5	0	0	0	0	111.2	V102 A103 F206 F210 L213 R229	V102-T106 VanDerWaalsContact O-CB 3.3Å; V102-T106 WeakPolarHBondContact O-CB 3.49Å; V102-T106 PolarHBondContact O-N 2.77Å; V102-T106 PolarHBondContact O-OG1 3.46Å; A103-T106 PolarHBondContact O-N 2.69Å; T106-F206 HydrophobicContact CG2-CZ 4.17Å; T106-F210 HydrophobicContact CG2-CD2 3.98Å; T106-F210 HydrophobicContact CG2-CE2 3.44Å; T106-F210 VanDerWaalsContact CG2-CE2 3.44Å; T106-F210 HydrophobicContact CG2-CZ 4.1Å; T106-L213 HydrophobicContact CG2-CB 3.98Å; T106-L213 HydrophobicContact CG2-CD1 4.14Å; T106-R229 WeakPolarHBondContact O-CD 3.07Å; T106-R229 PolarHBondContact O-NH1 3.09Å
107	F	96	Very high	84.1	Confident	11 Å²	11	44.6 Å²	44.6	5%	0.048	26%	0.261	C	S	.	.	H	α-helix	trans	-95.7	-14.3	-172.7	-66.1	-72.4	0	0	0	114.2	A103 Y109 F206 F210 I233 F274 A275 W278	A103-F107 HydrophobicContact CB-CD2 4.29Å; A103-F107 WeakPolarHBondContact O-CD2 3.29Å; A103-F107 PolarHBondContact O-N 2.64Å; F107-Y109 HydrophobicContact CB-CD1 3.71Å; F107-Y109 HydrophobicContact CB-CE1 3.52Å; F107-Y109 HydrophobicContact CD2-CE1 4.24Å; F107-Y109 HydrophobicContact CG-CE1 4.25Å; F107-F206 HydrophobicContact CD1-CE1 4.35Å; F107-F206 HydrophobicContact CD1-CZ 4.19Å; F107-F206 AromaticContact CE1-CE1 3.92Å; F107-F206 HydrophobicContact CE1-CE1 3.92Å; F107-F206 HydrophobicContact CE1-CZ 4.18Å; F107-F210 HydrophobicContact CE1-CE2 4.19Å; F107-F210 HydrophobicContact CE2-CE2 4.14Å; F107-F210 HydrophobicContact CE2-CZ 4.36Å; F107-F210 AromaticContact CZ-CE2 3.57Å; F107-F210 HydrophobicContact CZ-CE2 3.57Å; F107-F210 HydrophobicContact CZ-CZ 4.08Å; F107-I233 WeakPolarHBondContact O-CD1 3.48Å; F107-F274 AromaticContact CD1-CD1 3.77Å; F107-F274 HydrophobicContact CD1-CD1 3.77Å; F107-F274 AromaticContact CD1-CE1 3.73Å; F107-F274 HydrophobicContact CD1-CE1 3.73Å; F107-F274 HydrophobicContact CE1-CD1 4.43Å; F107-F274 HydrophobicContact CE1-CE1 4.13Å; F107-A275 HydrophobicContact CB-CB 4.08Å; F107-A275 HydrophobicContact CD1-CB 3.83Å; F107-A275 HydrophobicContact CD2-CB 3.65Å; F107-A275 HydrophobicContact CE1-CB 4.15Å; F107-A275 HydrophobicContact CE2-CB 3.97Å; F107-A275 HydrophobicContact CG-CB 3.57Å; F107-A275 HydrophobicContact CZ-CB 4.2Å; F107-W278 HydrophobicContact CE1-CB 3.67Å; F107-W278 HydrophobicContact CE1-CD2 4.42Å; F107-W278 AromaticContact CE1-CG 3.88Å; F107-W278 HydrophobicContact CE1-CG 3.88Å; F107-W278 HydrophobicContact CZ-CB 3.86Å; F107-W278 AromaticContact CZ-CD2 3.87Å; F107-W278 HydrophobicContact CZ-CD2 3.87Å; F107-W278 AromaticContact CZ-CE3 3.94Å; F107-W278 HydrophobicContact CZ-CE3 3.94Å; F107-W278 AromaticContact CZ-CG 3.81Å; F107-W278 HydrophobicContact CZ-CG 3.81Å
108	G	94.9	Very high	85.3	Confident	28 Å²	28	46.9 Å²	46.9	29%	0.289	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.1	41.5	172.3	0	0	0	0	0	114.7	P104	P104-G108 VanDerWaalsContact O-CA 3.29Å; P104-G108 WeakPolarHBondContact O-CA 3.24Å; P104-G108 PolarHBondContact O-N 3.38Å
109	Y	94.4	Very high	86.4	Confident	32 Å²	32	46.1 Å²	46.1	13%	0.125	29%	0.289	C	S	.	.			trans	-123.4	160.8	171	57.7	-103.9	0	0	0	110	A103 P104 F107 A271 H272 A275	A103-Y109 VanDerWaalsContact CB-OH 3.23Å; A103-Y109 WeakPolarHBondContact CB-OH 3.48Å; P104-Y109 WeakPolarHBondContact CA-O 3.14Å; P104-Y109 HydrophobicContact CB-CD2 4.21Å; P104-Y109 HydrophobicContact CB-CE2 4.12Å; P104-Y109 WeakPolarHBondContact CB-O 3.36Å; P104-Y109 HydrophobicContact CG-CD2 4.09Å; P104-Y109 HydrophobicContact CG-CE2 3.59Å; P104-Y109 PolarHBondContact O-N 3.02Å; F107-Y109 HydrophobicContact CB-CD1 3.71Å; F107-Y109 HydrophobicContact CB-CE1 3.52Å; F107-Y109 HydrophobicContact CD2-CE1 4.24Å; F107-Y109 HydrophobicContact CG-CE1 4.25Å; Y109-A271 HydrophobicContact CD1-CB 4.13Å; Y109-H272 AromaticContact CD2-CE1 3.24Å; Y109-H272 WeakPolarHBondContact CD2-CE1 3.49Å; Y109-H272 AromaticContact CD2-ND1 3.83Å; Y109-H272 AromaticContact CD2-NE2 3.42Å; Y109-H272 WeakPolarHBondContact CD2-NE2 3.15Å; Y109-H272 AromaticContact CE1-ND1 3.93Å; Y109-H272 AromaticContact CE2-CE1 3.26Å; Y109-H272 WeakPolarHBondContact CE2-CE1 3.3Å; Y109-H272 AromaticContact CE2-ND1 3.73Å; Y109-H272 AromaticContact CE2-NE2 3.94Å; Y109-H272 AromaticContact CG-CD2 3.98Å; Y109-H272 AromaticContact CG-CE1 3.78Å; Y109-H272 AromaticContact CG-NE2 3.77Å; Y109-H272 AromaticContact CZ-CE1 3.81Å; Y109-H272 AromaticContact CZ-ND1 3.8Å; Y109-A275 HydrophobicContact CE1-CB 3.97Å
110	P	92.7	Very high	87.5	Confident	36 Å²	36	44.6 Å²	44.6	23%	0.234	28%	0.28	C	S	.	.			trans	-73.2	147.3	178.6	29.5	-35	0	0	0	112.1	F117 L264 D268	P110-F117 HydrophobicContact CB-CE2 4.13Å; P110-F117 HydrophobicContact CG-CE2 3.88Å; P110-F117 HydrophobicContact CG-CZ 3.93Å; P110-L264 HydrophobicContact CG-CD1 3.98Å; P110-D268 WeakPolarHBondContact CD-OD1 3.39Å; P110-D268 HydrophobicContact CG-CB 4.38Å
111	P	91	Very high	88.1	Confident	67 Å²	67	45.2 Å²	45.2	44%	0.435	28%	0.28	S	S	.	.			trans	-54.5	144	171.5	-24.8	34.2	0	0	0	112.4	P104	P104-P111 HydrophobicContact CB-CG 4.05Å; P104-P111 HydrophobicContact CG-CB 4.3Å; P104-P111 HydrophobicContact CG-CG 4.13Å
112	V	86.2	Confident	88.6	Confident	8 Å²	8	44.2 Å²	44.2	5%	0.048	28%	0.277	C	S	.	.			trans	-113.2	-11	-174.8	-62.7	0	0	0	0	113.1	D100 G114 F117 L120 W121 I124	D100-V112 PolarHBondContact OD1-N 2.91Å; V112-G114 PolarHBondContact O-N 3.25Å; V112-F117 HydrophobicContact CG1-CD2 4.31Å; V112-L120 HydrophobicContact CB-CD2 4.27Å; V112-L120 HydrophobicContact CG1-CD2 3.85Å; V112-W121 HydrophobicContact CG2-CB 4.25Å; V112-W121 HydrophobicContact CG2-CE3 3.86Å; V112-I124 HydrophobicContact CG2-CD1 4.28Å
113	L	77.3	Confident	89	Confident	73 Å²	73	46.8 Å²	46.8	38%	0.382	29%	0.289	S	S	.	.	S	Bend	trans	-84.9	92.9	166.4	-74.3	136.2	0	0	0	108.9	H96 D100 W121	H96-L113 HydrophobicContact CB-CD1 4.34Å; D100-L113 HydrophobicContact CB-CB 4.33Å; D100-L113 HydrophobicContact CB-CD1 3.51Å; D100-L113 HydrophobicContact CB-CG 4.5Å; D100-L113 WeakPolarHBondContact OD1-CB 3.44Å; D100-L113 PolarHBondContact OD1-N 3.2Å; D100-L113 VanDerWaalsContact OD1-N 3.07Å; L113-W121 HydrophobicContact CD1-CD2 3.98Å; L113-W121 HydrophobicContact CD1-CE3 4.5Å; L113-W121 HydrophobicContact CD1-CG 4.05Å; L113-W121 HydrophobicContact CD2-CB 4.2Å; L113-W121 VanDerWaalsContact CD2-CD1 3.45Å; L113-W121 HydrophobicContact CD2-CG 3.78Å; L113-W121 HydrophobicContact CG-CB 3.96Å; L113-W121 HydrophobicContact CG-CD2 4.15Å; L113-W121 HydrophobicContact CG-CG 3.68Å
114	G	74.2	Confident	89.1	Confident	47 Å²	47	46 Å²	46	49%	0.485	28%	0.282	S	S	.	.	S	Bend	trans	177.1	-175.2	177.6	0	0	0	0	0	113.4	V112 T116	V112-G114 PolarHBondContact O-N 3.25Å; G114-T116 VanDerWaalsContact C-N 3.27Å; G114-T116 PolarHBondContact O-N 3.27Å
115	T	77.9	Confident	89	Confident	134 Å²	134	49.9 Å²	49.9	82%	0.822	30%	0.298	S	S	*	.	S	Bend	trans	-76.1	-16	178.7	52.9	0	0	0	0	113.1
116	T	84.6	Confident	89	Confident	73 Å²	73	52.7 Å²	52.7	45%	0.448	30%	0.3	S	S	.	.	S	Bend	trans	-66.4	-38.6	-179.6	-50.5	0	0	0	0	112.4	G114 K263	G114-T116 VanDerWaalsContact C-N 3.27Å; G114-T116 PolarHBondContact O-N 3.27Å; T116-K263 HydrophobicContact CG2-CD 4.2Å
117	F	88.7	Confident	89.1	Confident	6 Å²	6	52.9 Å²	52.9	3%	0.026	30%	0.302	C	S	.	.	S	Bend	trans	-129.1	71.8	-178	-52.7	-73.9	0	0	0	111.2	P110 V112 G119 L120 K263 L264	P110-F117 HydrophobicContact CB-CE2 4.13Å; P110-F117 HydrophobicContact CG-CE2 3.88Å; P110-F117 HydrophobicContact CG-CZ 3.93Å; V112-F117 HydrophobicContact CG1-CD2 4.31Å; F117-G119 PolarHBondContact O-N 2.81Å; F117-G119 VanDerWaalsContact O-N 3.15Å; F117-L120 HydrophobicContact CB-CB 3.77Å; F117-L120 HydrophobicContact CB-CD2 3.76Å; F117-L120 HydrophobicContact CB-CG 4.42Å; F117-L120 HydrophobicContact CD1-CD2 4.25Å; F117-L120 HydrophobicContact CG-CD2 4.01Å; F117-L120 WeakPolarHBondContact O-CB 3.42Å; F117-L120 PolarHBondContact O-N 3.28Å; F117-L120 VanDerWaalsContact O-N 3.16Å; F117-K263 HydrophobicContact CE1-CB 3.76Å; F117-K263 HydrophobicContact CZ-CB 4.44Å; F117-L264 HydrophobicContact CE1-CB 4.05Å; F117-L264 HydrophobicContact CE1-CD1 4.21Å; F117-L264 HydrophobicContact CZ-CD1 4.02Å
118	P	88.3	Confident	89	Confident	96 Å²	96	54.8 Å²	54.8	62%	0.623	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	121.1	-173	-24.7	35	0	0	0	112.5	L120	P118-L120 PolarHBondContact O-N 2.96Å
119	G	88.8	Confident	89	Confident	43 Å²	43	59 Å²	59	44%	0.443	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.1	-0.9	176.4	0	0	0	0	0	115.8	F117 W121 E122 Q123	F117-G119 PolarHBondContact O-N 2.81Å; F117-G119 VanDerWaalsContact O-N 3.15Å; G119-W121 VanDerWaalsContact C-N 3.34Å; G119-W121 PolarHBondContact O-N 3.33Å; G119-E122 PolarHBondContact O-N 2.79Å; G119-Q123 WeakPolarHBondContact O-CG 3.48Å; G119-Q123 PolarHBondContact O-N 3.46Å
120	L	91.1	Very high	89.2	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-61.5	-42.6	-179.8	178.5	59.8	0	0	0	111.7	V112 F117 P118 E122 Q123 I124 F258 Q261	V112-L120 HydrophobicContact CB-CD2 4.27Å; V112-L120 HydrophobicContact CG1-CD2 3.85Å; F117-L120 HydrophobicContact CB-CB 3.77Å; F117-L120 HydrophobicContact CB-CD2 3.76Å; F117-L120 HydrophobicContact CB-CG 4.42Å; F117-L120 HydrophobicContact CD1-CD2 4.25Å; F117-L120 HydrophobicContact CG-CD2 4.01Å; F117-L120 WeakPolarHBondContact O-CB 3.42Å; F117-L120 PolarHBondContact O-N 3.28Å; F117-L120 VanDerWaalsContact O-N 3.16Å; P118-L120 PolarHBondContact O-N 2.96Å; L120-E122 PolarHBondContact O-N 2.76Å; L120-Q123 PolarHBondContact O-N 3.47Å; L120-I124 HydrophobicContact CD1-CD1 4.26Å; L120-I124 HydrophobicContact CD1-CG1 4.28Å; L120-I124 HydrophobicContact CG-CD1 3.93Å; L120-I124 HydrophobicContact CG-CG1 4.42Å; L120-I124 WeakPolarHBondContact O-CG1 3.28Å; L120-I124 PolarHBondContact O-N 2.89Å; L120-F258 HydrophobicContact CD1-CD1 4.33Å; L120-F258 HydrophobicContact CD1-CE1 4.4Å; L120-Q261 HydrophobicContact CD1-CG 4.04Å; L120-Q261 HydrophobicContact CD2-CG 4.1Å
121	W	88.9	Confident	89.3	Confident	39 Å²	39	58.1 Å²	58.1	15%	0.148	32%	0.318	C	S	.	.	H	α-helix	trans	-57.5	-45.3	176.8	173.4	-109.9	0	0	0	112.9	H96 V112 L113 G119 Q123 I124 K125	H96-W121 AromaticContact CE1-CZ2 3.84Å; H96-W121 AromaticContact ND1-CZ2 3.41Å; H96-W121 WeakPolarHBondContact ND1-CZ2 3.31Å; V112-W121 HydrophobicContact CG2-CB 4.25Å; V112-W121 HydrophobicContact CG2-CE3 3.86Å; L113-W121 HydrophobicContact CD1-CD2 3.98Å; L113-W121 HydrophobicContact CD1-CE3 4.5Å; L113-W121 HydrophobicContact CD1-CG 4.05Å; L113-W121 HydrophobicContact CD2-CB 4.2Å; L113-W121 VanDerWaalsContact CD2-CD1 3.45Å; L113-W121 HydrophobicContact CD2-CG 3.78Å; L113-W121 HydrophobicContact CG-CB 3.96Å; L113-W121 HydrophobicContact CG-CD2 4.15Å; L113-W121 HydrophobicContact CG-CG 3.68Å; G119-W121 VanDerWaalsContact C-N 3.34Å; G119-W121 PolarHBondContact O-N 3.33Å; W121-Q123 VanDerWaalsContact C-N 3.29Å; W121-Q123 PolarHBondContact O-N 3.06Å; W121-I124 HydrophobicContact CE3-CG2 4.4Å; W121-I124 HydrophobicContact CZ3-CG2 4.32Å; W121-I124 WeakPolarHBondContact O-CB 3.35Å; W121-I124 PolarHBondContact O-N 3.47Å; W121-K125 WeakPolarHBondContact O-CB 3.37Å; W121-K125 PolarHBondContact O-N 2.71Å
122	E	90.3	Very high	89.4	Confident	88 Å²	88	57.9 Å²	57.9	41%	0.411	31%	0.311	S	S	.	.	H	α-helix	trans	-65.3	-35.3	179.4	-67.6	-55.1	137.8	0	0	111.7	G119 L120 K125 R126	G119-E122 PolarHBondContact O-N 2.79Å; L120-E122 PolarHBondContact O-N 2.76Å; E122-K125 PolarHBondContact O-N 3.26Å; E122-R126 WeakPolarHBondContact O-CB 3.26Å; E122-R126 VanDerWaalsContact O-CG 3.24Å; E122-R126 WeakPolarHBondContact O-CG 3.49Å; E122-R126 PolarHBondContact O-N 2.83Å
123	Q	94	Very high	89.8	Confident	59 Å²	59	60 Å²	60	28%	0.276	34%	0.335	S	S	.	.	H	α-helix	trans	-69.6	-42.4	175	-66.4	-178.6	69.9	0	0	112	G119 L120 W121 K125 R126 S127 L257	G119-Q123 WeakPolarHBondContact O-CG 3.48Å; G119-Q123 PolarHBondContact O-N 3.46Å; L120-Q123 PolarHBondContact O-N 3.47Å; W121-Q123 VanDerWaalsContact C-N 3.29Å; W121-Q123 PolarHBondContact O-N 3.06Å; Q123-K125 VanDerWaalsContact C-N 3.32Å; Q123-K125 PolarHBondContact O-N 2.83Å; Q123-R126 PolarHBondContact O-N 2.84Å; Q123-S127 PolarHBondContact O-N 3.29Å; Q123-L257 HydrophobicContact CB-CD1 4.03Å; Q123-L257 HydrophobicContact CB-CD2 3.88Å; Q123-L257 HydrophobicContact CG-CD2 4.4Å
124	I	91.9	Very high	90.4	Very high	6 Å²	6	63.9 Å²	63.9	3%	0.031	36%	0.356	C	S	.	.	H	α-helix	trans	-57.2	-48.5	171	-73.5	168.1	0	0	0	109.9	V112 L120 W121 R126 S127 F128 F258	V112-I124 HydrophobicContact CG2-CD1 4.28Å; L120-I124 HydrophobicContact CD1-CD1 4.26Å; L120-I124 HydrophobicContact CD1-CG1 4.28Å; L120-I124 HydrophobicContact CG-CD1 3.93Å; L120-I124 HydrophobicContact CG-CG1 4.42Å; L120-I124 WeakPolarHBondContact O-CG1 3.28Å; L120-I124 PolarHBondContact O-N 2.89Å; W121-I124 HydrophobicContact CE3-CG2 4.4Å; W121-I124 HydrophobicContact CZ3-CG2 4.32Å; W121-I124 WeakPolarHBondContact O-CB 3.35Å; W121-I124 PolarHBondContact O-N 3.47Å; I124-R126 VanDerWaalsContact C-N 3.33Å; I124-R126 PolarHBondContact O-N 3.08Å; I124-S127 WeakPolarHBondContact O-CB 3.47Å; I124-S127 PolarHBondContact O-N 3.11Å; I124-S127 VanDerWaalsContact O-N 3.08Å; I124-S127 PolarHBondContact O-OG 3.02Å; I124-F128 HydrophobicContact CG2-CE2 4.07Å; I124-F128 HydrophobicContact CG2-CZ 4.43Å; I124-F258 HydrophobicContact CD1-CE1 3.96Å; I124-F258 HydrophobicContact CD1-CZ 4.43Å; I124-F258 HydrophobicContact CG1-CE1 4.18Å
125	K	90.3	Very high	91.3	Very high	89 Å²	89	65.3 Å²	65.3	39%	0.387	35%	0.35	S	S	.	.	H	α-helix	trans	-60.4	-42.9	-179.6	-174.2	175.7	177	176	0	111.7	H96 W121 E122 Q123 S127 F128	H96-K125 PolarHBondContact NE2-NZ 2.84Å; W121-K125 WeakPolarHBondContact O-CB 3.37Å; W121-K125 PolarHBondContact O-N 2.71Å; E122-K125 PolarHBondContact O-N 3.26Å; Q123-K125 VanDerWaalsContact C-N 3.32Å; Q123-K125 PolarHBondContact O-N 2.83Å; K125-S127 VanDerWaalsContact C-N 3.33Å; K125-S127 PolarHBondContact O-N 2.85Å; K125-F128 PolarHBondContact O-N 3.45Å
126	R	93.9	Very high	92.1	Very high	170 Å²	170	59.3 Å²	59.3	64%	0.642	31%	0.312	S	S	*	.	H	α-helix	trans	-63.6	-36.1	174.2	-72.7	173.6	-167.2	-166.2	3.7	112.4	E122 Q123 I124 F128 Q129	E122-R126 WeakPolarHBondContact O-CB 3.26Å; E122-R126 VanDerWaalsContact O-CG 3.24Å; E122-R126 WeakPolarHBondContact O-CG 3.49Å; E122-R126 PolarHBondContact O-N 2.83Å; Q123-R126 PolarHBondContact O-N 2.84Å; I124-R126 VanDerWaalsContact C-N 3.33Å; I124-R126 PolarHBondContact O-N 3.08Å; R126-F128 PolarHBondContact O-N 2.83Å; R126-F128 VanDerWaalsContact O-N 3.14Å; R126-Q129 VanDerWaalsContact O-CB 3.24Å; R126-Q129 WeakPolarHBondContact O-CB 3.35Å; R126-Q129 VanDerWaalsContact O-CG 3.32Å; R126-Q129 WeakPolarHBondContact O-CG 3.45Å; R126-Q129 PolarHBondContact O-N 3.44Å
127	S	95.6	Very high	92.6	Very high	6 Å²	6	57 Å²	57	4%	0.042	30%	0.301	C	S	.	.	H	α-helix	trans	-59.4	-27.3	179.5	77.3	0	0	0	0	113.3	Q123 I124 K125 Q129 L130 F250	Q123-S127 PolarHBondContact O-N 3.29Å; I124-S127 WeakPolarHBondContact O-CB 3.47Å; I124-S127 PolarHBondContact O-N 3.11Å; I124-S127 VanDerWaalsContact O-N 3.08Å; I124-S127 PolarHBondContact O-OG 3.02Å; K125-S127 VanDerWaalsContact C-N 3.33Å; K125-S127 PolarHBondContact O-N 2.85Å; S127-Q129 PolarHBondContact O-N 2.77Å; S127-Q129 VanDerWaalsContact O-N 3.14Å; S127-L130 VanDerWaalsContact O-CB 3.28Å; S127-L130 WeakPolarHBondContact O-CB 3.35Å; S127-L130 WeakPolarHBondContact O-CG 3.17Å; S127-L130 PolarHBondContact O-N 2.83Å; S127-F250 WeakPolarHBondContact O-CD2 3.45Å
128	F	95.1	Very high	92.9	Very high	50 Å²	50	59.6 Å²	59.6	22%	0.219	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-63.5	-16.4	174.7	-68.5	-59.5	0	0	0	113.9	I124 K125 R126 L130 L131 F250 I276 P438	I124-F128 HydrophobicContact CG2-CE2 4.07Å; I124-F128 HydrophobicContact CG2-CZ 4.43Å; K125-F128 PolarHBondContact O-N 3.45Å; R126-F128 PolarHBondContact O-N 2.83Å; R126-F128 VanDerWaalsContact O-N 3.14Å; F128-L130 PolarHBondContact O-N 3.04Å; F128-L131 HydrophobicContact CD1-CD1 4.02Å; F128-L131 WeakPolarHBondContact O-CB 3.47Å; F128-L131 PolarHBondContact O-N 3.07Å; F128-L131 VanDerWaalsContact O-N 3.1Å; F128-F250 AromaticContact CD1-CE2 3.67Å; F128-F250 HydrophobicContact CD1-CE2 3.67Å; F128-F250 AromaticContact CD1-CZ 3.67Å; F128-F250 HydrophobicContact CD1-CZ 3.67Å; F128-F250 HydrophobicContact CE1-CE2 4.05Å; F128-F250 AromaticContact CE1-CZ 3.64Å; F128-F250 HydrophobicContact CE1-CZ 3.64Å; F128-F250 HydrophobicContact CG-CE2 4.42Å; F128-I276 HydrophobicContact CE1-CD1 4.23Å; F128-P438 HydrophobicContact CB-CB 3.69Å; F128-P438 HydrophobicContact CB-CG 4.25Å; F128-P438 HydrophobicContact CD1-CB 3.97Å; F128-P438 HydrophobicContact CD1-CG 3.63Å; F128-P438 HydrophobicContact CD2-CG 4.49Å; F128-P438 HydrophobicContact CE1-CG 4.04Å; F128-P438 HydrophobicContact CG-CB 3.91Å; F128-P438 HydrophobicContact CG-CG 3.89Å
129	Q	95	Very high	93.3	Very high	116 Å²	116	55.7 Å²	55.7	54%	0.542	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-63.1	-20.3	171.9	-65	176.3	-28.8	0	0	112.3	R126 S127 L131 Q132	R126-Q129 VanDerWaalsContact O-CB 3.24Å; R126-Q129 WeakPolarHBondContact O-CB 3.35Å; R126-Q129 VanDerWaalsContact O-CG 3.32Å; R126-Q129 WeakPolarHBondContact O-CG 3.45Å; R126-Q129 PolarHBondContact O-N 3.44Å; S127-Q129 PolarHBondContact O-N 2.77Å; S127-Q129 VanDerWaalsContact O-N 3.14Å; Q129-L131 PolarHBondContact O-N 3.02Å; Q129-Q132 VanDerWaalsContact O-CG 3.24Å; Q129-Q132 WeakPolarHBondContact O-CG 3.26Å; Q129-Q132 PolarHBondContact O-N 2.89Å
130	L	96.7	Very high	93.7	Very high	31 Å²	31	53.6 Å²	53.6	16%	0.162	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-74.1	-0.2	174.7	-59.4	171.9	0	0	0	113.6	S127 F128 H135 F250 R253	S127-L130 VanDerWaalsContact O-CB 3.28Å; S127-L130 WeakPolarHBondContact O-CB 3.35Å; S127-L130 WeakPolarHBondContact O-CG 3.17Å; S127-L130 PolarHBondContact O-N 2.83Å; F128-L130 PolarHBondContact O-N 3.04Å; L130-H135 HydrophobicContact CD2-CB 4.44Å; L130-H135 WeakPolarHBondContact O-CB 3.34Å; L130-F250 HydrophobicContact CB-CB 4.15Å; L130-F250 HydrophobicContact CB-CD2 4.47Å; L130-R253 HydrophobicContact CD1-CB 3.61Å; L130-R253 HydrophobicContact CD1-CG 3.98Å
131	L	96.1	Very high	94	Very high	19 Å²	19	58.7 Å²	58.7	10%	0.099	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-104.6	11.3	175.3	-58.5	176.4	0	0	0	112.6	F128 Q129 L139 F250	F128-L131 HydrophobicContact CD1-CD1 4.02Å; F128-L131 WeakPolarHBondContact O-CB 3.47Å; F128-L131 PolarHBondContact O-N 3.07Å; F128-L131 VanDerWaalsContact O-N 3.1Å; Q129-L131 PolarHBondContact O-N 3.02Å; L131-L139 HydrophobicContact CD2-CD2 3.84Å; L131-F250 HydrophobicContact CD1-CD1 4.41Å; L131-F250 HydrophobicContact CD1-CD2 4.47Å; L131-F250 HydrophobicContact CD1-CE1 4.2Å; L131-F250 HydrophobicContact CD1-CE2 4.28Å; L131-F250 HydrophobicContact CD1-CZ 4.13Å; L131-F250 HydrophobicContact CD2-CB 3.95Å; L131-F250 HydrophobicContact CD2-CD1 3.9Å; L131-F250 HydrophobicContact CD2-CD2 4.39Å; L131-F250 HydrophobicContact CD2-CE1 4.48Å; L131-F250 HydrophobicContact CD2-CG 3.83Å; L131-F250 HydrophobicContact CG-CD1 4.4Å; L131-F250 HydrophobicContact CG-CD2 4.21Å; L131-F250 HydrophobicContact CG-CE2 4.48Å; L131-F250 HydrophobicContact CG-CG 4.16Å
132	Q	93.8	Very high	94.4	Very high	62 Å²	62	58.8 Å²	58.8	29%	0.29	30%	0.301	S	S	.	.	S	Bend	trans	-150.1	170.5	-174.9	58	176.8	22.2	0	0	111.2	Q129 H135 Y441	Q129-Q132 VanDerWaalsContact O-CG 3.24Å; Q129-Q132 WeakPolarHBondContact O-CG 3.26Å; Q129-Q132 PolarHBondContact O-N 2.89Å; Q132-H135 PolarHBondContact O-N 2.89Å; Q132-Y441 HydrophobicContact CB-CD2 3.82Å; Q132-Y441 HydrophobicContact CB-CE2 4.03Å
133	G	92.5	Very high	94.8	Very high	54 Å²	54	54.6 Å²	54.6	56%	0.557	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	58.6	-141.8	179.9	0	0	0	0	0	112.1	H135 L136	G133-H135 PolarHBondContact O-N 3.38Å; G133-H135 VanDerWaalsContact O-N 3.15Å; G133-L136 WeakPolarHBondContact O-CB 3.15Å; G133-L136 PolarHBondContact O-N 3.34Å
134	D	91.7	Very high	95	Very high	153 Å²	153	51.8 Å²	51.8	82%	0.818	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-63.4	-22.5	-175	-55.9	-19.7	0	0	0	113.3	L136	D134-L136 VanDerWaalsContact C-N 3.27Å; D134-L136 PolarHBondContact O-N 3.08Å
135	H	93.2	Very high	95.3	Very high	78 Å²	78	52.7 Å²	52.7	36%	0.361	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-76.5	-14	176.7	-59.5	-74	0	0	0	113.4	L130 Q132 G133 Q249	L130-H135 HydrophobicContact CD2-CB 4.44Å; L130-H135 WeakPolarHBondContact O-CB 3.34Å; Q132-H135 PolarHBondContact O-N 2.89Å; G133-H135 PolarHBondContact O-N 3.38Å; G133-H135 VanDerWaalsContact O-N 3.15Å; H135-Q249 PolarHBondContact ND1-OE1 3.42Å
136	L	94.3	Very high	95.7	Very high	7 Å²	7	48.6 Å²	48.6	4%	0.037	26%	0.262	C	S	.	.	H	α-helix	trans	-74	-35.1	-177.4	-178.4	63.9	0	0	0	112.7	G133 D134 L139 T140 Y441 F442	G133-L136 WeakPolarHBondContact O-CB 3.15Å; G133-L136 PolarHBondContact O-N 3.34Å; D134-L136 VanDerWaalsContact C-N 3.27Å; D134-L136 PolarHBondContact O-N 3.08Å; L136-L139 PolarHBondContact O-N 2.86Å; L136-T140 WeakPolarHBondContact O-CB 3.36Å; L136-T140 PolarHBondContact O-N 2.85Å; L136-T140 PolarHBondContact O-OG1 2.94Å; L136-Y441 VanDerWaalsContact CD2-CB 3.5Å; L136-Y441 HydrophobicContact CD2-CG 4.39Å; L136-F442 HydrophobicContact CD1-CB 3.84Å; L136-F442 HydrophobicContact CD1-CD2 4.45Å
137	A	94.6	Very high	95.9	Very high	24 Å²	24	40.5 Å²	40.5	20%	0.198	23%	0.231	C	C	.	.	H	α-helix	trans	-61.7	-50.1	-175.1	0	0	0	0	0	112.4	L139 T140 E141	A137-L139 VanDerWaalsContact C-N 3.27Å; A137-L139 PolarHBondContact O-N 3.01Å; A137-T140 WeakPolarHBondContact O-CB 3.27Å; A137-T140 PolarHBondContact O-N 2.76Å; A137-T140 VanDerWaalsContact O-N 3.09Å; A137-E141 WeakPolarHBondContact O-CG 3.31Å; A137-E141 PolarHBondContact O-N 3.48Å
138	P	95.3	Very high	96	Very high	61 Å²	61	40.3 Å²	40.3	40%	0.396	23%	0.23	S	C	.	.	H	α-helix	trans	-60.5	-34.7	176.3	-24.5	34.3	0	0	0	113.7	S142	P138-S142 VanDerWaalsContact O-CB 3.3Å; P138-S142 WeakPolarHBondContact O-CB 3.31Å; P138-S142 PolarHBondContact O-N 3.47Å
139	L	96.6	Very high	96	Very high	14 Å²	14	39.4 Å²	39.4	7%	0.073	23%	0.227	C	C	.	.	H	α-helix	trans	-69	-40.1	177.2	-169.1	68.3	0	0	0	111.3	L131 L136 A137 S142 M143 T182 F442	L131-L139 HydrophobicContact CD2-CD2 3.84Å; L136-L139 PolarHBondContact O-N 2.86Å; A137-L139 VanDerWaalsContact C-N 3.27Å; A137-L139 PolarHBondContact O-N 3.01Å; L139-S142 PolarHBondContact O-N 2.89Å; L139-M143 PolarHBondContact O-N 3.24Å; L139-T182 HydrophobicContact CD1-CG2 3.7Å; L139-T182 HydrophobicContact CG-CG2 4.22Å; L139-F442 HydrophobicContact CB-CD2 4.41Å; L139-F442 HydrophobicContact CD2-CB 4.18Å; L139-F442 HydrophobicContact CD2-CD1 4.24Å; L139-F442 HydrophobicContact CD2-CD2 3.53Å; L139-F442 HydrophobicContact CD2-CE2 3.96Å; L139-F442 HydrophobicContact CD2-CG 3.69Å; L139-F442 HydrophobicContact CD2-CZ 4.48Å; L139-F442 HydrophobicContact CG-CD2 3.66Å; L139-F442 HydrophobicContact CG-CE2 3.64Å; L139-F442 HydrophobicContact CG-CG 4.31Å; L139-F442 HydrophobicContact CG-CZ 4.28Å
140	T	97.6	Very high	96.1	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-66.4	-43.4	177	-58.8	0	0	0	0	111.3	L136 A137 M143 M144 L333 N445 Q449	L136-T140 WeakPolarHBondContact O-CB 3.36Å; L136-T140 PolarHBondContact O-N 2.85Å; L136-T140 PolarHBondContact O-OG1 2.94Å; A137-T140 WeakPolarHBondContact O-CB 3.27Å; A137-T140 PolarHBondContact O-N 2.76Å; A137-T140 VanDerWaalsContact O-N 3.09Å; T140-M143 PolarHBondContact O-N 3.33Å; T140-M144 PolarHBondContact O-N 2.79Å; T140-L333 HydrophobicContact CG2-CD1 3.77Å; T140-N445 HydrophobicContact CG2-CB 3.95Å; T140-N445 PolarHBondContact OG1-ND2 3.01Å; T140-Q449 VanDerWaalsContact CG2-NE2 3.25Å; T140-Q449 PolarHBondContact O-NE2 2.94Å
141	E	97	Very high	96.1	Very high	106 Å²	106	32.4 Å²	32.4	50%	0.495	19%	0.194	S	C	.	.	H	α-helix	trans	-63.9	-43.1	175	-72.1	170.9	-166	0	0	111.8	A137 M143 M144 G145	A137-E141 WeakPolarHBondContact O-CG 3.31Å; A137-E141 PolarHBondContact O-N 3.48Å; E141-M143 VanDerWaalsContact C-N 3.31Å; E141-M143 PolarHBondContact O-N 2.98Å; E141-M144 WeakPolarHBondContact O-CB 3.42Å; E141-M144 PolarHBondContact O-N 3.26Å; E141-G145 PolarHBondContact O-N 2.81Å; E141-G145 VanDerWaalsContact O-N 3.07Å
142	S	97.4	Very high	96	Very high	41 Å²	41	33.8 Å²	33.8	29%	0.287	20%	0.197	S	C	.	.	H	α-helix	trans	-60.2	-41.9	175.2	-175.8	0	0	0	0	111.7	P138 L139 G145 N146	P138-S142 VanDerWaalsContact O-CB 3.3Å; P138-S142 WeakPolarHBondContact O-CB 3.31Å; P138-S142 PolarHBondContact O-N 3.47Å; L139-S142 PolarHBondContact O-N 2.89Å; S142-G145 PolarHBondContact O-N 2.96Å; S142-N146 PolarHBondContact O-N 3.48Å; S142-N146 PolarHBondContact O-ND2 3.05Å; S142-N146 VanDerWaalsContact O-ND2 3.11Å; S142-N146 PolarHBondContact OG-ND2 2.95Å
143	M	98.4	Very high	95.9	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-61.7	-45.2	175.1	-173.9	53.8	177.1	0	0	112.5	L139 T140 E141 G145 N146 L147 M175 A178 T182 F442 E446 Q449	L139-M143 PolarHBondContact O-N 3.24Å; T140-M143 PolarHBondContact O-N 3.33Å; E141-M143 VanDerWaalsContact C-N 3.31Å; E141-M143 PolarHBondContact O-N 2.98Å; M143-G145 VanDerWaalsContact C-N 3.31Å; M143-G145 PolarHBondContact O-N 3.43Å; M143-N146 PolarHBondContact O-N 2.93Å; M143-L147 HydrophobicContact CE-CD1 3.86Å; M143-L147 HydrophobicContact CE-CD2 3.85Å; M143-L147 HydrophobicContact CE-CG 3.65Å; M143-L147 HydrophobicContact CG-CD1 4.06Å; M143-L147 HydrophobicContact CG-CG 4.35Å; M143-L147 WeakPolarHBondContact O-CB 3.22Å; M143-L147 WeakPolarHBondContact O-CG 3.38Å; M143-L147 PolarHBondContact O-N 2.81Å; M143-L147 HydrophobicContact SD-CD1 4.42Å; M143-L147 HydrophobicContact SD-CG 4.12Å; M143-M175 HydrophobicContact CE-CE 3.82Å; M143-M175 HydrophobicContact CE-SD 4.12Å; M143-A178 HydrophobicContact CE-CB 3.73Å; M143-A178 HydrophobicContact SD-CB 3.96Å; M143-T182 VanDerWaalsContact CA-OG1 3.31Å; M143-T182 WeakPolarHBondContact CA-OG1 3.38Å; M143-T182 HydrophobicContact CB-CG2 3.98Å; M143-T182 PolarHBondContact SD-OG1 3.4Å; M143-T182 VanDerWaalsContact SD-OG1 3.34Å; M143-F442 HydrophobicContact CB-CE2 3.81Å; M143-F442 HydrophobicContact CB-CZ 4.08Å; M143-F442 HydrophobicContact CG-CE2 4.19Å; M143-F442 HydrophobicContact CG-CZ 4.11Å; M143-F442 HydrophobicContact SD-CZ 4.38Å; M143-E446 HydrophobicContact CE-CB 3.7Å; M143-E446 HydrophobicContact CG-CB 3.72Å; M143-E446 HydrophobicContact SD-CB 4.38Å; M143-Q449 VanDerWaalsContact CG-OE1 3.27Å
144	M	98.2	Very high	95.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-56	-47.7	176.6	-166.7	63.8	-112.6	0	0	111.5	T140 E141 L147 M148 M327 L328 Q449 L453	T140-M144 PolarHBondContact O-N 2.79Å; E141-M144 WeakPolarHBondContact O-CB 3.42Å; E141-M144 PolarHBondContact O-N 3.26Å; M144-L147 PolarHBondContact O-N 3.17Å; M144-M148 HydrophobicContact CE-CE 4.25Å; M144-M148 WeakPolarHBondContact O-CB 3.27Å; M144-M148 PolarHBondContact O-N 3.41Å; M144-M327 HydrophobicContact CB-CE 3.91Å; M144-M327 HydrophobicContact CG-CE 3.83Å; M144-M327 HydrophobicContact CG-SD 3.89Å; M144-L328 HydrophobicContact SD-CB 3.95Å; M144-L328 HydrophobicContact SD-CD1 4.25Å; M144-L328 HydrophobicContact SD-CG 4.47Å; M144-Q449 HydrophobicContact SD-CB 3.95Å; M144-Q449 HydrophobicContact SD-CG 3.7Å; M144-L453 HydrophobicContact CE-CD1 3.64Å; M144-L453 HydrophobicContact CE-CD2 3.48Å; M144-L453 VanDerWaalsContact CE-CD2 3.48Å; M144-L453 HydrophobicContact CE-CG 3.66Å
145	G	97.8	Very high	96	Very high	26 Å²	26	28.6 Å²	28.6	27%	0.268	16%	0.156	S	C	.	.	H	α-helix	trans	-64.9	-38.9	178.9	0	0	0	0	0	113.1	E141 S142 M143 L149	E141-G145 PolarHBondContact O-N 2.81Å; E141-G145 VanDerWaalsContact O-N 3.07Å; S142-G145 PolarHBondContact O-N 2.96Å; M143-G145 VanDerWaalsContact C-N 3.31Å; M143-G145 PolarHBondContact O-N 3.43Å; G145-L149 WeakPolarHBondContact O-CB 3.42Å; G145-L149 PolarHBondContact O-N 3.13Å
146	N	98.3	Very high	95.9	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.011	14%	0.142	C	C	.	.	H	α-helix	trans	-72.9	-37.9	177.7	-71	-39	0	0	0	112.5	S142 M143 L149 V150 A178 L181 T182 R186	S142-N146 PolarHBondContact O-N 3.48Å; S142-N146 PolarHBondContact O-ND2 3.05Å; S142-N146 VanDerWaalsContact O-ND2 3.11Å; S142-N146 PolarHBondContact OG-ND2 2.95Å; M143-N146 PolarHBondContact O-N 2.93Å; N146-L149 WeakPolarHBondContact O-CB 3.36Å; N146-L149 PolarHBondContact O-N 3.39Å; N146-V150 WeakPolarHBondContact O-CG2 3.16Å; N146-V150 PolarHBondContact O-N 3.05Å; N146-V150 VanDerWaalsContact O-N 3.08Å; N146-A178 HydrophobicContact CB-CB 4.39Å; N146-L181 HydrophobicContact CB-CB 4.15Å; N146-T182 VanDerWaalsContact ND2-CA 3.34Å; N146-T182 WeakPolarHBondContact ND2-CA 3.36Å; N146-T182 PolarHBondContact ND2-N 3.27Å; N146-T182 PolarHBondContact ND2-OG1 3.13Å; N146-R186 PolarHBondContact OD1-NE 3.07Å; N146-R186 PolarHBondContact OD1-NH2 2.78Å
147	L	98.6	Very high	95.3	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-59.7	-48.6	170.5	-82	171.5	0	0	0	110.5	M143 M144 L149 V150 F151 V174 M175 A178 Q449 F450 L453	M143-L147 HydrophobicContact CE-CD1 3.86Å; M143-L147 HydrophobicContact CE-CD2 3.85Å; M143-L147 HydrophobicContact CE-CG 3.65Å; M143-L147 HydrophobicContact CG-CD1 4.06Å; M143-L147 HydrophobicContact CG-CG 4.35Å; M143-L147 WeakPolarHBondContact O-CB 3.22Å; M143-L147 WeakPolarHBondContact O-CG 3.38Å; M143-L147 PolarHBondContact O-N 2.81Å; M143-L147 HydrophobicContact SD-CD1 4.42Å; M143-L147 HydrophobicContact SD-CG 4.12Å; M144-L147 PolarHBondContact O-N 3.17Å; L147-L149 VanDerWaalsContact C-N 3.32Å; L147-L149 PolarHBondContact O-N 2.9Å; L147-V150 PolarHBondContact O-N 3.22Å; L147-F151 HydrophobicContact CD2-CE2 4.35Å; L147-F151 WeakPolarHBondContact O-CB 3.32Å; L147-F151 VanDerWaalsContact O-CD2 3.29Å; L147-F151 WeakPolarHBondContact O-CD2 3.43Å; L147-F151 PolarHBondContact O-N 2.88Å; L147-V174 HydrophobicContact CD2-CG1 3.92Å; L147-M175 HydrophobicContact CD2-SD 4.06Å; L147-A178 HydrophobicContact CD2-CB 3.64Å; L147-A178 HydrophobicContact CG-CB 3.88Å; L147-Q449 HydrophobicContact CD1-CB 3.52Å; L147-F450 HydrophobicContact CD1-CB 4.35Å; L147-F450 HydrophobicContact CD2-CB 4.33Å; L147-F450 HydrophobicContact CD2-CD2 4.1Å; L147-L453 HydrophobicContact CB-CD1 3.77Å
148	M	97.3	Very high	94.1	Very high	3 Å²	3	31.4 Å²	31.4	2%	0.015	18%	0.178	C	C	.	.	H	α-helix	trans	-60.9	-42.3	178.7	-171.8	49.4	47.8	0	0	112.1	M144 V150 F151 R152 L156 D325 V326 L453 Y457	M144-M148 HydrophobicContact CE-CE 4.25Å; M144-M148 WeakPolarHBondContact O-CB 3.27Å; M144-M148 PolarHBondContact O-N 3.41Å; M148-V150 PolarHBondContact O-N 2.95Å; M148-F151 PolarHBondContact O-N 3.09Å; M148-R152 WeakPolarHBondContact O-CB 3.46Å; M148-R152 PolarHBondContact O-N 3.46Å; M148-R152 PolarHBondContact SD-NH2 3.49Å; M148-R152 VanDerWaalsContact SD-NH2 3.4Å; M148-L156 HydrophobicContact SD-CD1 4.35Å; M148-D325 HydrophobicContact CG-CB 3.81Å; M148-D325 VanDerWaalsContact CG-OD1 3.29Å; M148-D325 WeakPolarHBondContact CG-OD1 3.4Å; M148-D325 HydrophobicContact SD-CB 4.27Å; M148-D325 VanDerWaalsContact SD-OD1 3.35Å; M148-V326 HydrophobicContact CE-CG1 3.99Å; M148-L453 HydrophobicContact CE-CD1 3.63Å; M148-L453 HydrophobicContact CE-CD2 3.19Å; M148-L453 HydrophobicContact CE-CG 4.02Å; M148-Y457 HydrophobicContact CE-CE2 4.02Å
149	L	96.3	Very high	92.7	Very high	31 Å²	31	31.8 Å²	31.8	16%	0.162	19%	0.186	C	C	.	.	H	α-helix	trans	-54.5	-50.1	173.9	172.9	64.3	0	0	0	111.9	G145 N146 L147 Q153 L181 I191 R192	G145-L149 WeakPolarHBondContact O-CB 3.42Å; G145-L149 PolarHBondContact O-N 3.13Å; N146-L149 WeakPolarHBondContact O-CB 3.36Å; N146-L149 PolarHBondContact O-N 3.39Å; L147-L149 VanDerWaalsContact C-N 3.32Å; L147-L149 PolarHBondContact O-N 2.9Å; L149-Q153 HydrophobicContact CD1-CG 4.33Å; L149-Q153 WeakPolarHBondContact O-CG 3.42Å; L149-Q153 PolarHBondContact O-N 2.79Å; L149-Q153 VanDerWaalsContact O-N 3.15Å; L149-L181 HydrophobicContact CD2-CD1 4.37Å; L149-I191 HydrophobicContact CD1-CD1 4.02Å; L149-R192 HydrophobicContact CD2-CG 4.1Å
150	V	97	Very high	91.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-66.9	-47.6	-178.9	175.4	0	0	0	0	110.9	N146 L147 M148 R152 Q153 D154 V174 E177 A178 L181	N146-V150 WeakPolarHBondContact O-CG2 3.16Å; N146-V150 PolarHBondContact O-N 3.05Å; N146-V150 VanDerWaalsContact O-N 3.08Å; L147-V150 PolarHBondContact O-N 3.22Å; M148-V150 PolarHBondContact O-N 2.95Å; V150-R152 PolarHBondContact O-N 2.79Å; V150-Q153 PolarHBondContact O-N 3.01Å; V150-D154 WeakPolarHBondContact O-CB 3.48Å; V150-D154 PolarHBondContact O-N 3.35Å; V150-V174 HydrophobicContact CG1-CB 4.28Å; V150-V174 HydrophobicContact CG1-CG1 4Å; V150-V174 HydrophobicContact CG1-CG2 4.14Å; V150-E177 HydrophobicContact CG2-CB 4.39Å; V150-E177 HydrophobicContact CG2-CG 4.08Å; V150-A178 HydrophobicContact CG2-CB 4.5Å; V150-L181 HydrophobicContact CG2-CD1 4.48Å
151	F	96.3	Very high	91.4	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-56.5	-49.4	176.3	-91.3	-111.8	0	0	0	111.4	L147 M148 Q153 H155 L156 V174 F450 L453 F458	L147-F151 HydrophobicContact CD2-CE2 4.35Å; L147-F151 WeakPolarHBondContact O-CB 3.32Å; L147-F151 VanDerWaalsContact O-CD2 3.29Å; L147-F151 WeakPolarHBondContact O-CD2 3.43Å; L147-F151 PolarHBondContact O-N 2.88Å; M148-F151 PolarHBondContact O-N 3.09Å; F151-Q153 PolarHBondContact O-N 2.79Å; F151-H155 CarbonylContact O-C 3.56Å; F151-H155 WeakPolarHBondContact O-CA 3.46Å; F151-H155 WeakPolarHBondContact O-CB 3.42Å; F151-H155 PolarHBondContact O-N 2.94Å; F151-L156 HydrophobicContact CB-CD1 4.2Å; F151-L156 HydrophobicContact CB-CG 4.35Å; F151-L156 WeakPolarHBondContact O-CG 3.34Å; F151-L156 PolarHBondContact O-N 3.48Å; F151-V174 HydrophobicContact CD2-CG1 3.76Å; F151-V174 HydrophobicContact CE2-CG1 3.49Å; F151-V174 VanDerWaalsContact CE2-CG1 3.49Å; F151-F450 AromaticContact CE2-CD2 3.89Å; F151-F450 HydrophobicContact CE2-CD2 3.89Å; F151-F450 HydrophobicContact CE2-CE2 4.01Å; F151-F450 HydrophobicContact CZ-CD2 4.07Å; F151-F450 AromaticContact CZ-CE2 3.98Å; F151-F450 HydrophobicContact CZ-CE2 3.98Å; F151-L453 HydrophobicContact CD1-CB 4.05Å; F151-L453 HydrophobicContact CD1-CD1 4.41Å; F151-L453 HydrophobicContact CD2-CB 4.47Å; F151-L453 HydrophobicContact CD2-CD1 3.75Å; F151-L453 HydrophobicContact CE1-CB 3.59Å; F151-L453 HydrophobicContact CE2-CB 4.03Å; F151-L453 HydrophobicContact CE2-CD1 3.84Å; F151-L453 HydrophobicContact CG-CB 4.48Å; F151-L453 HydrophobicContact CG-CD1 4.04Å; F151-L453 HydrophobicContact CZ-CB 3.59Å; F151-L453 HydrophobicContact CZ-CD1 4.27Å; F151-F458 AromaticContact CD1-CE2 3.74Å; F151-F458 HydrophobicContact CD1-CE2 3.74Å; F151-F458 HydrophobicContact CD1-CZ 4.4Å; F151-F458 HydrophobicContact CE1-CD2 4.32Å; F151-F458 AromaticContact CE1-CE2 3.65Å; F151-F458 HydrophobicContact CE1-CE2 3.65Å
152	R	93.1	Very high	91.3	Very high	47 Å²	47	37.9 Å²	37.9	18%	0.177	23%	0.227	C	C	.	.	H	α-helix	trans	-60.5	-46.8	-176.1	-167.5	68.2	61.5	-166	-6.7	111.3	M148 V150 L156 N157 T322 S324 D325 Y457	M148-R152 WeakPolarHBondContact O-CB 3.46Å; M148-R152 PolarHBondContact O-N 3.46Å; M148-R152 PolarHBondContact SD-NH2 3.49Å; M148-R152 VanDerWaalsContact SD-NH2 3.4Å; V150-R152 PolarHBondContact O-N 2.79Å; R152-L156 HydrophobicContact CB-CD1 4.45Å; R152-N157 PolarHBondContact O-ND2 2.63Å; R152-N157 PolarHBondContact O-OD1 2.87Å; R152-T322 PolarHBondContact NH1-O 2.91Å; R152-T322 VanDerWaalsContact NH1-O 3.13Å; R152-S324 PolarHBondContact NH2-O 3.36Å; R152-D325 IonicContact CZ-OD1 3.05Å; R152-D325 IonicContact NE-OD1 2.77Å; R152-D325 PolarHBondContact NE-OD1 2.88Å; R152-D325 IonicContact NH2-OD1 2.94Å; R152-D325 PolarHBondContact NH2-OD1 3.17Å; R152-Y457 PolarHBondContact NH2-OH 2.83Å
153	Q	92.6	Very high	91.2	Very high	74 Å²	74	39 Å²	39	35%	0.346	23%	0.226	S	C	.	.	H	α-helix	trans	-70.2	-44	-178.1	-71.2	-171.8	-7.2	0	0	113.1	L149 V150 F151 N157	L149-Q153 HydrophobicContact CD1-CG 4.33Å; L149-Q153 WeakPolarHBondContact O-CG 3.42Å; L149-Q153 PolarHBondContact O-N 2.79Å; L149-Q153 VanDerWaalsContact O-N 3.15Å; V150-Q153 PolarHBondContact O-N 3.01Å; F151-Q153 PolarHBondContact O-N 2.79Å; Q153-N157 PolarHBondContact O-ND2 3.3Å
154	D	93	Very high	91	Very high	64 Å²	64	48 Å²	48	34%	0.342	26%	0.259	S	S	.	.	H	α-helix	trans	-97.8	-25.9	-165.8	-59.3	-10.8	0	0	0	112.4	V150 R192	V150-D154 WeakPolarHBondContact O-CB 3.48Å; V150-D154 PolarHBondContact O-N 3.35Å; D154-R192 IonicContact OD1-CZ 3.49Å; D154-R192 IonicContact OD1-NH1 3.5Å; D154-R192 PolarHBondContact OD1-NH1 2.72Å; D154-R192 IonicContact OD1-NH2 3.58Å; D154-R192 IonicContact OD2-CZ 2.63Å; D154-R192 IonicContact OD2-NH1 3.08Å; D154-R192 PolarHBondContact OD2-NH1 2.87Å; D154-R192 IonicContact OD2-NH2 2.8Å; D154-R192 PolarHBondContact OD2-NH2 3.31Å
155	H	92.7	Very high	90.9	Very high	22 Å²	22	49.4 Å²	49.4	10%	0.102	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.2	-30	-167.2	-57.3	-56.4	0	0	0	114.5	F151 R163 F170 V174 F458 Y491	F151-H155 CarbonylContact O-C 3.56Å; F151-H155 WeakPolarHBondContact O-CA 3.46Å; F151-H155 WeakPolarHBondContact O-CB 3.42Å; F151-H155 PolarHBondContact O-N 2.94Å; H155-R163 PolarHBondContact O-NH1 3.46Å; H155-R163 PolarHBondContact O-NH2 3.28Å; H155-F170 AromaticContact CD2-CE2 3.74Å; H155-F170 AromaticContact CE1-CD2 3.82Å; H155-F170 AromaticContact CE1-CE2 3.5Å; H155-F170 AromaticContact CG-CE2 3.8Å; H155-F170 AromaticContact ND1-CE2 3.65Å; H155-F170 AromaticContact NE2-CE2 3.55Å; H155-V174 WeakPolarHBondContact NE2-CG2 3.31Å; H155-F458 HydrophobicContact CB-CZ 3.76Å; H155-Y491 PolarHBondContact ND1-OH 3.13Å
156	L	91.5	Very high	90.8	Very high	15 Å²	15	49.6 Å²	49.6	8%	0.079	27%	0.272	C	S	.	.	S	Bend	trans	-91.8	-7.9	-174	-52.2	179.5	0	0	0	115.2	M148 F151 R152 G158 Y457 F458 L493	M148-L156 HydrophobicContact SD-CD1 4.35Å; F151-L156 HydrophobicContact CB-CD1 4.2Å; F151-L156 HydrophobicContact CB-CG 4.35Å; F151-L156 WeakPolarHBondContact O-CG 3.34Å; F151-L156 PolarHBondContact O-N 3.48Å; R152-L156 HydrophobicContact CB-CD1 4.45Å; L156-G158 PolarHBondContact O-N 3.24Å; L156-Y457 HydrophobicContact CD1-CD1 3.66Å; L156-Y457 HydrophobicContact CD1-CE1 3.57Å; L156-Y457 HydrophobicContact CD1-CG 4.39Å; L156-Y457 HydrophobicContact CD2-CD1 3.55Å; L156-Y457 HydrophobicContact CD2-CE1 4.33Å; L156-Y457 HydrophobicContact CD2-CG 3.95Å; L156-Y457 HydrophobicContact CG-CD1 4.27Å; L156-F458 HydrophobicContact CD2-CE1 4.04Å; L156-F458 HydrophobicContact CD2-CE2 4.18Å; L156-F458 HydrophobicContact CD2-CZ 3.5Å; L156-F458 VanDerWaalsContact CD2-CZ 3.5Å; L156-L493 HydrophobicContact CD2-CD2 3.43Å; L156-L493 VanDerWaalsContact CD2-CD2 3.43Å
157	N	82.1	Confident	90.8	Very high	123 Å²	123	49.5 Å²	49.5	66%	0.658	27%	0.271	S	S	*	.	S	Bend	trans	-87.8	18.6	-174.5	-73	-27.5	0	0	0	116.2	R152 Q153	R152-N157 PolarHBondContact O-ND2 2.63Å; R152-N157 PolarHBondContact O-OD1 2.87Å; Q153-N157 PolarHBondContact O-ND2 3.3Å
158	G	69.5	Low	90.7	Very high	31 Å²	31	51.1 Å²	51.1	32%	0.32	28%	0.277	S	S	.	.	S	Bend	trans	-130.8	166.6	-174.5	0	0	0	0	0	114.3	L156 R163 L493	L156-G158 PolarHBondContact O-N 3.24Å; G158-R163 PolarHBondContact O-NH2 3.43Å; G158-L493 WeakPolarHBondContact O-CD1 3.37Å
159	A	66.1	Low	90.7	Very high	69 Å²	69	54.8 Å²	54.8	57%	0.57	29%	0.294	S	S	*	.			trans	-54.6	156.3	-178.9	0	0	0	0	0	112.6	D161	A159-D161 PolarHBondContact O-N 2.83Å
160	G	77.3	Confident	90.8	Very high	48 Å²	48	53.9 Å²	53.9	50%	0.495	29%	0.289	S	S	.	.	S	Bend	trans	-67.4	16	-179	0	0	0	0	0	115.8	R492	G160-R492 WeakPolarHBondContact O-CD 3.46Å
161	D	89.9	Confident	90.8	Very high	122 Å²	122	53.9 Å²	53.9	65%	0.652	29%	0.289	S	S	*	.	S	Bend	trans	-79	154.3	178.4	-66.5	-37.8	0	0	0	112	A159 R163 R492	A159-D161 PolarHBondContact O-N 2.83Å; D161-R163 PolarHBondContact O-N 3.37Å; D161-R492 WeakPolarHBondContact O-CB 3.36Å
162	W	94.3	Very high	90.9	Very high	77 Å²	77	53.9 Å²	53.9	29%	0.292	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-66.2	122.3	174.5	-74.2	102	0	0	0	111.7	D459 Q461 R490 R492	W162-D459 HydrophobicContact CH2-CB 3.68Å; W162-D459 HydrophobicContact CZ2-CB 4.21Å; W162-D459 HydrophobicContact CZ3-CB 4.32Å; W162-D459 WeakPolarHBondContact CZ3-O 3.25Å; W162-Q461 HydrophobicContact CH2-CB 4.38Å; W162-Q461 HydrophobicContact CH2-CG 3.75Å; W162-Q461 HydrophobicContact CZ2-CG 4.46Å; W162-Q461 HydrophobicContact CZ3-CB 4.48Å; W162-Q461 HydrophobicContact CZ3-CG 4.31Å; W162-R490 HydrophobicContact CD2-CG 4.18Å; W162-R490 HydrophobicContact CE3-CB 3.73Å; W162-R490 HydrophobicContact CE3-CG 3.49Å; W162-R490 VanDerWaalsContact CE3-CG 3.49Å; W162-R490 HydrophobicContact CZ3-CB 4.27Å; W162-R490 HydrophobicContact CZ3-CG 3.73Å; W162-R490 WeakPolarHBondContact CZ3-O 3.49Å; W162-R492 HydrophobicContact CD2-CB 4.19Å; W162-R492 HydrophobicContact CD2-CG 3.93Å; W162-R492 HydrophobicContact CE3-CB 4.18Å; W162-R492 HydrophobicContact CE3-CG 4.03Å; W162-R492 HydrophobicContact CG-CB 4.48Å; W162-R492 HydrophobicContact CH2-CG 4.23Å; W162-R492 HydrophobicContact CZ2-CG 4.11Å; W162-R492 HydrophobicContact CZ3-CG 4.18Å
163	R	94.8	Very high	91.1	Very high	66 Å²	66	52.8 Å²	52.8	25%	0.249	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	146.5	168.4	-55.5	-175.4	-164.8	163.5	17.2	109.3	H155 G158 D161 R490 Y491	H155-R163 PolarHBondContact O-NH1 3.46Å; H155-R163 PolarHBondContact O-NH2 3.28Å; G158-R163 PolarHBondContact O-NH2 3.43Å; D161-R163 PolarHBondContact O-N 3.37Å; R163-R490 CarbonylContact O-C 3.5Å; R163-R490 WeakPolarHBondContact O-CA 3.24Å; R163-R490 VanDerWaalsContact O-CB 3.28Å; R163-R490 WeakPolarHBondContact O-CB 3.47Å; R163-Y491 HydrophobicContact CB-CD1 4.39Å; R163-Y491 HydrophobicContact CB-CE1 3.99Å; R163-Y491 HydrophobicContact CB-CE2 4.21Å; R163-Y491 PolarHBondContact N-O 2.69Å; R163-Y491 PolarHBondContact O-N 2.96Å
164	R	95.3	Very high	91.4	Very high	187 Å²	187	49.2 Å²	49.2	71%	0.706	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.2	147.2	177	-64.1	177.3	-177	170.2	1.2	109.5	E463 F489 R490	R164-E463 VanDerWaalsContact CD-OE1 3.28Å; R164-E463 WeakPolarHBondContact CD-OE1 3.32Å; R164-E463 WeakPolarHBondContact CG-OE1 3.39Å; R164-E463 IonicContact NE-OE1 2.68Å; R164-F489 WeakPolarHBondContact CA-O 3.48Å; R164-R490 HydrophobicContact CG-CB 4.24Å
165	G	94.8	Very high	91.7	Very high	31 Å²	31	46.2 Å²	46.2	32%	0.32	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.7	-178.2	177.4	0	0	0	0	0	112.4	R488 F489	G165-R488 WeakPolarHBondContact O-CA 3.43Å; G165-F489 PolarHBondContact N-O 3.29Å; G165-F489 WeakPolarHBondContact O-CD1 3.29Å; G165-F489 PolarHBondContact O-N 3.02Å
166	S	96.7	Very high	92	Very high	30 Å²	30	45.1 Å²	45.1	21%	0.21	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	133.7	166.6	129.4	0	0	0	0	108.7	E169 F170 D486 F489	S166-E169 WeakPolarHBondContact OG-CB 3.33Å; S166-E169 PolarHBondContact OG-N 3.42Å; S166-F170 VanDerWaalsContact O-CB 3.22Å; S166-F170 WeakPolarHBondContact O-CB 3.38Å; S166-F170 PolarHBondContact O-N 3.05Å; S166-D486 VanDerWaalsContact CB-CG 3.49Å; S166-D486 WeakPolarHBondContact CB-OD2 3.16Å; S166-D486 PolarHBondContact OG-OD1 3.24Å; S166-D486 PolarHBondContact OG-OD2 3.24Å; S166-F489 WeakPolarHBondContact O-CE1 3.4Å
167	L	97.6	Very high	92.3	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-71.5	-39.2	179.8	-178.6	60.9	0	0	0	111.1	F170 C171 F289 A292 Y293 L462 V487 F489	L167-F170 PolarHBondContact O-N 2.86Å; L167-C171 WeakPolarHBondContact O-CB 3.4Å; L167-C171 PolarHBondContact O-N 3.14Å; L167-C171 PolarHBondContact O-SG 3.41Å; L167-C171 VanDerWaalsContact O-SG 3.33Å; L167-F289 HydrophobicContact CB-CD2 4.49Å; L167-F289 HydrophobicContact CB-CE2 4.23Å; L167-F289 HydrophobicContact CD2-CD2 4.39Å; L167-F289 HydrophobicContact CD2-CE2 4.15Å; L167-F289 HydrophobicContact CG-CD2 4.09Å; L167-F289 HydrophobicContact CG-CE2 4.13Å; L167-A292 HydrophobicContact CD1-CB 4.38Å; L167-Y293 HydrophobicContact CD2-CD2 4.34Å; L167-L462 HydrophobicContact CD2-CD2 4.38Å; L167-V487 HydrophobicContact CB-CB 4.43Å; L167-V487 PolarHBondContact N-O 3.06Å; L167-F489 HydrophobicContact CB-CB 4.47Å; L167-F489 HydrophobicContact CB-CD1 3.8Å; L167-F489 HydrophobicContact CB-CE1 4.25Å; L167-F489 HydrophobicContact CB-CG 4.14Å; L167-F489 HydrophobicContact CD1-CD1 4.29Å; L167-F489 HydrophobicContact CD1-CD2 4.11Å; L167-F489 HydrophobicContact CD1-CE1 4.27Å; L167-F489 HydrophobicContact CD1-CE2 4.05Å; L167-F489 HydrophobicContact CD1-CG 4.22Å; L167-F489 HydrophobicContact CD1-CZ 4.14Å
168	Y	97.1	Very high	93.1	Very high	33 Å²	33	38.9 Å²	38.9	13%	0.129	22%	0.218	C	C	.	.	H	α-helix	trans	-65.3	-47.3	178.5	-174.8	-104.1	0	0	0	110.9	F170 C171 C172 F289 L482 P483 D486	Y168-F170 VanDerWaalsContact C-N 3.34Å; Y168-F170 PolarHBondContact O-N 3.44Å; Y168-C171 PolarHBondContact O-N 2.88Å; Y168-C172 WeakPolarHBondContact CE1-SG 3.32Å; Y168-C172 VanDerWaalsContact O-CB 3.27Å; Y168-C172 WeakPolarHBondContact O-CB 3.41Å; Y168-C172 PolarHBondContact O-N 3.34Å; Y168-C172 PolarHBondContact O-SG 2.89Å; Y168-F289 HydrophobicContact CD2-CB 3.68Å; Y168-F289 HydrophobicContact CD2-CD1 4.1Å; Y168-F289 AromaticContact CD2-CD2 3.8Å; Y168-F289 HydrophobicContact CD2-CD2 3.8Å; Y168-F289 HydrophobicContact CD2-CE2 4.46Å; Y168-F289 AromaticContact CD2-CG 3.57Å; Y168-F289 HydrophobicContact CD2-CG 3.57Å; Y168-F289 HydrophobicContact CE2-CB 4.19Å; Y168-F289 HydrophobicContact CE2-CG 4.4Å; Y168-F289 HydrophobicContact CG-CD2 4.28Å; Y168-F289 HydrophobicContact CG-CG 4.47Å; Y168-L482 HydrophobicContact CE2-CD2 4.49Å; Y168-L482 VanDerWaalsContact OH-CD2 3.27Å; Y168-L482 WeakPolarHBondContact OH-CD2 3.48Å; Y168-P483 HydrophobicContact CD2-CG 3.52Å; Y168-P483 HydrophobicContact CE2-CG 3.93Å; Y168-P483 HydrophobicContact CG-CG 3.95Å; Y168-D486 WeakPolarHBondContact CB-OD1 3.45Å; Y168-D486 PolarHBondContact N-OD1 3.3Å; Y168-D486 VanDerWaalsContact N-OD1 3.14Å
169	E	96.9	Very high	94.5	Very high	80 Å²	80	37.4 Å²	37.4	37%	0.374	20%	0.202	S	C	.	.	H	α-helix	trans	-63.5	-40	177.9	-176.7	61.1	-172.6	0	0	111.8	S166 C172 S173 R200	S166-E169 WeakPolarHBondContact OG-CB 3.33Å; S166-E169 PolarHBondContact OG-N 3.42Å; E169-C172 PolarHBondContact O-N 3.48Å; E169-S173 VanDerWaalsContact O-CB 3.23Å; E169-S173 WeakPolarHBondContact O-CB 3.06Å; E169-S173 PolarHBondContact O-N 3.38Å; E169-R200 IonicContact OE1-CZ 2.88Å; E169-R200 VanDerWaalsContact OE1-CZ 3.24Å; E169-R200 IonicContact OE1-NE 2.77Å; E169-R200 IonicContact OE1-NH1 3.5Å; E169-R200 IonicContact OE1-NH2 3.65Å; E169-R200 PolarHBondContact OE1-NH2 2.64Å
170	F	97.9	Very high	96	Very high	12 Å²	12	34.1 Å²	34.1	5%	0.053	18%	0.175	C	C	.	.	H	α-helix	trans	-59	-51.8	174.4	179.1	-85.1	0	0	0	111.3	H155 S166 L167 Y168 C172 V174 F450 L454 F489 Y491	H155-F170 AromaticContact CD2-CE2 3.74Å; H155-F170 AromaticContact CE1-CD2 3.82Å; H155-F170 AromaticContact CE1-CE2 3.5Å; H155-F170 AromaticContact CG-CE2 3.8Å; H155-F170 AromaticContact ND1-CE2 3.65Å; H155-F170 AromaticContact NE2-CE2 3.55Å; S166-F170 VanDerWaalsContact O-CB 3.22Å; S166-F170 WeakPolarHBondContact O-CB 3.38Å; S166-F170 PolarHBondContact O-N 3.05Å; L167-F170 PolarHBondContact O-N 2.86Å; Y168-F170 VanDerWaalsContact C-N 3.34Å; Y168-F170 PolarHBondContact O-N 3.44Å; F170-C172 PolarHBondContact O-N 2.79Å; F170-V174 WeakPolarHBondContact O-CG2 3.36Å; F170-V174 PolarHBondContact O-N 3.09Å; F170-F450 AromaticContact CD1-CZ 3.98Å; F170-F450 HydrophobicContact CD1-CZ 3.98Å; F170-F450 HydrophobicContact CE1-CE2 4.12Å; F170-F450 AromaticContact CE1-CZ 3.74Å; F170-F450 HydrophobicContact CE1-CZ 3.74Å; F170-L454 HydrophobicContact CE1-CD1 3.81Å; F170-L454 HydrophobicContact CZ-CD1 4.26Å; F170-F489 HydrophobicContact CB-CE1 3.94Å; F170-F489 HydrophobicContact CB-CZ 3.93Å; F170-F489 HydrophobicContact CD1-CZ 4.2Å; F170-F489 AromaticContact CD2-CZ 3.97Å; F170-F489 HydrophobicContact CD2-CZ 3.97Å; F170-F489 HydrophobicContact CG-CE1 4.28Å; F170-F489 AromaticContact CG-CZ 3.76Å; F170-F489 HydrophobicContact CG-CZ 3.76Å; F170-Y491 HydrophobicContact CD2-CE1 4.33Å; F170-Y491 HydrophobicContact CE2-CE1 4.45Å; F170-Y491 HydrophobicContact CE2-CE2 4.24Å
171	C	98.3	Very high	97	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-60.1	-46.4	177	-72.1	0	0	0	0	111.5	L167 Y168 M175 T288 F289 F450	L167-C171 WeakPolarHBondContact O-CB 3.4Å; L167-C171 PolarHBondContact O-N 3.14Å; L167-C171 PolarHBondContact O-SG 3.41Å; L167-C171 VanDerWaalsContact O-SG 3.33Å; Y168-C171 PolarHBondContact O-N 2.88Å; C171-M175 VanDerWaalsContact O-CB 3.22Å; C171-M175 WeakPolarHBondContact O-CB 3.06Å; C171-M175 VanDerWaalsContact O-CG 3.29Å; C171-M175 WeakPolarHBondContact O-CG 3.44Å; C171-M175 PolarHBondContact O-N 2.92Å; C171-T288 HydrophobicContact CB-CG2 4.3Å; C171-F289 HydrophobicContact CB-CB 4.36Å; C171-F450 HydrophobicContact CB-CZ 4.27Å
172	C	97.8	Very high	97.4	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-63.4	-47.1	-178.3	-77.5	0	0	0	0	112.5	Y168 E169 F170 F176 L285	Y168-C172 WeakPolarHBondContact CE1-SG 3.32Å; Y168-C172 VanDerWaalsContact O-CB 3.27Å; Y168-C172 WeakPolarHBondContact O-CB 3.41Å; Y168-C172 PolarHBondContact O-N 3.34Å; Y168-C172 PolarHBondContact O-SG 2.89Å; E169-C172 PolarHBondContact O-N 3.48Å; F170-C172 PolarHBondContact O-N 2.79Å; C172-F176 WeakPolarHBondContact O-CB 3.21Å; C172-F176 PolarHBondContact O-N 3.22Å; C172-L285 HydrophobicContact CB-CD1 4.44Å
173	S	97.5	Very high	97.6	Very high	24 Å²	24	23 Å²	23	17%	0.168	11%	0.11	C	C	.	.	H	α-helix	trans	-59.8	-51.2	-179	-174.9	0	0	0	0	111.3	E169 E177 R200	E169-S173 VanDerWaalsContact O-CB 3.23Å; E169-S173 WeakPolarHBondContact O-CB 3.06Å; E169-S173 PolarHBondContact O-N 3.38Å; S173-E177 PolarHBondContact O-N 2.86Å; S173-R200 VanDerWaalsContact CB-NH1 3.31Å; S173-R200 PolarHBondContact OG-NH1 3.22Å
174	V	98.4	Very high	97.7	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-68.8	-49.3	-176	175.9	0	0	0	0	111.6	L147 V150 F151 H155 F170 A178 F450	L147-V174 HydrophobicContact CD2-CG1 3.92Å; V150-V174 HydrophobicContact CG1-CB 4.28Å; V150-V174 HydrophobicContact CG1-CG1 4Å; V150-V174 HydrophobicContact CG1-CG2 4.14Å; F151-V174 HydrophobicContact CD2-CG1 3.76Å; F151-V174 HydrophobicContact CE2-CG1 3.49Å; F151-V174 VanDerWaalsContact CE2-CG1 3.49Å; H155-V174 WeakPolarHBondContact NE2-CG2 3.31Å; F170-V174 WeakPolarHBondContact O-CG2 3.36Å; F170-V174 PolarHBondContact O-N 3.09Å; V174-A178 VanDerWaalsContact O-CB 3.27Å; V174-A178 WeakPolarHBondContact O-CB 3.4Å; V174-A178 PolarHBondContact O-N 2.88Å; V174-F450 HydrophobicContact CB-CD2 4.46Å; V174-F450 HydrophobicContact CB-CE2 3.88Å; V174-F450 HydrophobicContact CG1-CD2 3.93Å; V174-F450 HydrophobicContact CG1-CE2 3.77Å
175	M	98.7	Very high	97.8	Very high	0 Å²	0	11 Å²	11	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-66.9	-42.6	-178.1	-71.4	-62	-64.6	0	0	111.9	M143 L147 C171 E177 A178 T179 T284 L285 T288 E446 F450	M143-M175 HydrophobicContact CE-CE 3.82Å; M143-M175 HydrophobicContact CE-SD 4.12Å; L147-M175 HydrophobicContact CD2-SD 4.06Å; C171-M175 VanDerWaalsContact O-CB 3.22Å; C171-M175 WeakPolarHBondContact O-CB 3.06Å; C171-M175 VanDerWaalsContact O-CG 3.29Å; C171-M175 WeakPolarHBondContact O-CG 3.44Å; C171-M175 PolarHBondContact O-N 2.92Å; M175-E177 VanDerWaalsContact C-N 3.32Å; M175-E177 PolarHBondContact O-N 2.93Å; M175-A178 PolarHBondContact O-N 2.78Å; M175-T179 WeakPolarHBondContact O-CB 3.46Å; M175-T179 PolarHBondContact O-N 2.83Å; M175-T179 PolarHBondContact O-OG1 3.49Å; M175-T284 HydrophobicContact CE-CG2 3.43Å; M175-T284 VanDerWaalsContact CE-CG2 3.43Å; M175-L285 HydrophobicContact CB-CD2 3.5Å; M175-T288 HydrophobicContact CG-CG2 3.71Å; M175-T288 HydrophobicContact SD-CG2 4.15Å; M175-E446 HydrophobicContact CE-CB 4.01Å; M175-E446 HydrophobicContact CE-CG 3.71Å; M175-F450 HydrophobicContact CG-CD2 3.93Å; M175-F450 HydrophobicContact CG-CE2 4.31Å; M175-F450 HydrophobicContact CG-CG 4.28Å; M175-F450 HydrophobicContact SD-CB 3.51Å; M175-F450 VanDerWaalsContact SD-CB 3.51Å; M175-F450 HydrophobicContact SD-CD2 3.59Å; M175-F450 VanDerWaalsContact SD-CD2 3.59Å; M175-F450 HydrophobicContact SD-CG 3.68Å
176	F	98.8	Very high	97.9	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-58.3	-47.8	-178.8	-175	-88.8	0	0	0	111.1	C172 F180 M196 L199 R200 F203 L277 V281 L285	C172-F176 WeakPolarHBondContact O-CB 3.21Å; C172-F176 PolarHBondContact O-N 3.22Å; F176-F180 VanDerWaalsContact O-CB 3.24Å; F176-F180 WeakPolarHBondContact O-CB 3.4Å; F176-F180 PolarHBondContact O-N 2.73Å; F176-M196 HydrophobicContact CD1-CG 4.2Å; F176-M196 HydrophobicContact CD1-SD 3.76Å; F176-M196 HydrophobicContact CE1-CG 4.45Å; F176-M196 HydrophobicContact CE1-SD 3.58Å; F176-M196 VanDerWaalsContact CE1-SD 3.58Å; F176-L199 HydrophobicContact CE1-CB 4.48Å; F176-L199 HydrophobicContact CE1-CD2 4.23Å; F176-L199 HydrophobicContact CE1-CG 4.1Å; F176-L199 HydrophobicContact CZ-CD2 4.45Å; F176-L199 HydrophobicContact CZ-CG 4.08Å; F176-R200 HydrophobicContact CB-CG 4.16Å; F176-R200 HydrophobicContact CD1-CB 3.78Å; F176-R200 HydrophobicContact CD1-CG 4Å; F176-R200 HydrophobicContact CD2-CB 4.44Å; F176-R200 HydrophobicContact CD2-CG 3.99Å; F176-R200 HydrophobicContact CE1-CB 3.82Å; F176-R200 HydrophobicContact CE1-CG 4.38Å; F176-R200 HydrophobicContact CE2-CB 4.46Å; F176-R200 HydrophobicContact CE2-CG 4.38Å; F176-R200 HydrophobicContact CG-CB 4.1Å; F176-R200 HydrophobicContact CG-CG 3.79Å; F176-R200 HydrophobicContact CZ-CB 4.17Å; F176-F203 HydrophobicContact CD2-CD1 4.4Å; F176-F203 HydrophobicContact CE2-CB 3.84Å; F176-F203 AromaticContact CE2-CD1 3.83Å; F176-F203 HydrophobicContact CE2-CD1 3.83Å; F176-F203 HydrophobicContact CE2-CD2 4.21Å; F176-F203 AromaticContact CE2-CG 3.66Å; F176-F203 HydrophobicContact CE2-CG 3.66Å; F176-F203 HydrophobicContact CZ-CB 4.05Å; F176-F203 HydrophobicContact CZ-CG 4.31Å; F176-L277 HydrophobicContact CZ-CD2 4.15Å; F176-V281 HydrophobicContact CD2-CB 4.24Å; F176-V281 HydrophobicContact CD2-CG1 4.22Å; F176-V281 HydrophobicContact CD2-CG2 3.92Å; F176-V281 HydrophobicContact CE2-CG2 3.88Å; F176-L285 HydrophobicContact CB-CD1 4.47Å; F176-L285 HydrophobicContact CB-CD2 4.17Å; F176-L285 HydrophobicContact CD2-CD1 4.18Å
177	E	98.6	Very high	97.7	Very high	7 Å²	7	11.8 Å²	11.8	3%	0.033	6%	0.055	C	C	.	.	H	α-helix	trans	-70.5	-47	-179.8	-176.1	158.5	-173	0	0	112.7	V150 S173 M175 T179 F180 L181 R192 M196	V150-E177 HydrophobicContact CG2-CB 4.39Å; V150-E177 HydrophobicContact CG2-CG 4.08Å; S173-E177 PolarHBondContact O-N 2.86Å; M175-E177 VanDerWaalsContact C-N 3.32Å; M175-E177 PolarHBondContact O-N 2.93Å; E177-T179 PolarHBondContact O-N 3.37Å; E177-F180 WeakPolarHBondContact O-CB 3.41Å; E177-F180 PolarHBondContact O-N 3.26Å; E177-L181 HydrophobicContact CG-CD1 3.84Å; E177-L181 HydrophobicContact CG-CG 4.19Å; E177-L181 VanDerWaalsContact O-CG 3.27Å; E177-L181 WeakPolarHBondContact O-CG 3.46Å; E177-L181 PolarHBondContact O-N 2.86Å; E177-R192 VanDerWaalsContact CD-NE 3.33Å; E177-R192 VanDerWaalsContact CD-NH2 3.29Å; E177-R192 IonicContact OE1-CZ 2.71Å; E177-R192 IonicContact OE1-NE 3.69Å; E177-R192 PolarHBondContact OE1-NE 3.41Å; E177-R192 IonicContact OE1-NH2 3.6Å; E177-R192 PolarHBondContact OE1-NH2 3.42Å; E177-R192 IonicContact OE2-CZ 2.71Å; E177-R192 IonicContact OE2-NE 2.81Å; E177-R192 IonicContact OE2-NH2 3.43Å; E177-R192 PolarHBondContact OE2-NH2 2.58Å; E177-M196 HydrophobicContact CB-CG 3.83Å; E177-M196 HydrophobicContact CG-CE 4.06Å; E177-M196 HydrophobicContact CG-CG 3.89Å
178	A	98.6	Very high	97.3	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-62.6	-42.5	-179.3	0	0	0	0	0	111.9	M143 N146 L147 V150 V174 M175 L181 T182	M143-A178 HydrophobicContact CE-CB 3.73Å; M143-A178 HydrophobicContact SD-CB 3.96Å; N146-A178 HydrophobicContact CB-CB 4.39Å; L147-A178 HydrophobicContact CD2-CB 3.64Å; L147-A178 HydrophobicContact CG-CB 3.88Å; V150-A178 HydrophobicContact CG2-CB 4.5Å; V174-A178 VanDerWaalsContact O-CB 3.27Å; V174-A178 WeakPolarHBondContact O-CB 3.4Å; V174-A178 PolarHBondContact O-N 2.88Å; M175-A178 PolarHBondContact O-N 2.78Å; A178-L181 PolarHBondContact O-N 3.21Å; A178-T182 WeakPolarHBondContact O-CB 3.38Å; A178-T182 PolarHBondContact O-N 3.27Å; A178-T182 PolarHBondContact O-OG1 2.85Å
179	T	98.6	Very high	96.8	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-65.2	-40.4	174.3	-56.5	0	0	0	0	110.8	M175 E177 T182 I183 V281 F442 E446	M175-T179 WeakPolarHBondContact O-CB 3.46Å; M175-T179 PolarHBondContact O-N 2.83Å; M175-T179 PolarHBondContact O-OG1 3.49Å; E177-T179 PolarHBondContact O-N 3.37Å; T179-T182 PolarHBondContact O-N 3.17Å; T179-I183 HydrophobicContact CG2-CD1 3.66Å; T179-I183 HydrophobicContact CG2-CG1 4.37Å; T179-I183 WeakPolarHBondContact O-CB 3.48Å; T179-I183 WeakPolarHBondContact O-CG1 3.47Å; T179-I183 PolarHBondContact O-N 2.93Å; T179-V281 HydrophobicContact CG2-CG1 3.81Å; T179-F442 HydrophobicContact CG2-CE1 4.45Å; T179-E446 PolarHBondContact OG1-OE2 3.32Å
180	F	98.5	Very high	96.3	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-58.9	-52.7	175.3	-172.8	-75.7	0	0	0	111.4	F176 E177 T182 I183 Y184 H193 M196 L199 Y235 F236 W244 L277	F176-F180 VanDerWaalsContact O-CB 3.24Å; F176-F180 WeakPolarHBondContact O-CB 3.4Å; F176-F180 PolarHBondContact O-N 2.73Å; E177-F180 WeakPolarHBondContact O-CB 3.41Å; E177-F180 PolarHBondContact O-N 3.26Å; F180-T182 PolarHBondContact O-N 3.2Å; F180-I183 PolarHBondContact O-N 2.88Å; F180-Y184 HydrophobicContact CD2-CD2 4.32Å; F180-Y184 HydrophobicContact CE2-CD2 4.19Å; F180-Y184 HydrophobicContact CZ-CD2 4.38Å; F180-Y184 HydrophobicContact CZ-CG 4.29Å; F180-Y184 WeakPolarHBondContact O-CB 3.44Å; F180-Y184 PolarHBondContact O-N 2.85Å; F180-H193 AromaticContact CD1-CD2 3.79Å; F180-H193 AromaticContact CD1-NE2 3.99Å; F180-H193 AromaticContact CE1-CD2 3.52Å; F180-H193 AromaticContact CE1-CE1 3.93Å; F180-H193 AromaticContact CE1-NE2 3.41Å; F180-H193 WeakPolarHBondContact CE1-NE2 3.28Å; F180-M196 HydrophobicContact CB-CE 4.01Å; F180-M196 HydrophobicContact CB-SD 4.42Å; F180-M196 HydrophobicContact CD1-CE 3.64Å; F180-M196 HydrophobicContact CD2-CE 4.38Å; F180-M196 HydrophobicContact CE1-CE 4.3Å; F180-M196 HydrophobicContact CG-CE 3.73Å; F180-M196 HydrophobicContact CG-SD 4.3Å; F180-L199 HydrophobicContact CD2-CD2 4.01Å; F180-L199 HydrophobicContact CE2-CD2 3.66Å; F180-L199 HydrophobicContact CZ-CD2 4.38Å; F180-Y235 HydrophobicContact CE1-CE1 4.37Å; F180-Y235 HydrophobicContact CE2-CD1 4.32Å; F180-Y235 HydrophobicContact CE2-CE1 4.08Å; F180-Y235 HydrophobicContact CZ-CD1 4.04Å; F180-Y235 AromaticContact CZ-CE1 3.55Å; F180-Y235 HydrophobicContact CZ-CE1 3.55Å; F180-F236 AromaticContact CE2-CE1 3.89Å; F180-F236 HydrophobicContact CE2-CE1 3.89Å; F180-F236 AromaticContact CE2-CZ 3.68Å; F180-F236 HydrophobicContact CE2-CZ 3.68Å; F180-F236 HydrophobicContact CZ-CE1 4.12Å; F180-F236 HydrophobicContact CZ-CZ 4.32Å; F180-W244 HydrophobicContact CZ-CH2 4.02Å; F180-W244 HydrophobicContact CZ-CZ3 4.14Å; F180-L277 HydrophobicContact CD2-CD1 3.84Å; F180-L277 HydrophobicContact CD2-CD2 4.49Å; F180-L277 HydrophobicContact CE2-CD1 4.49Å
181	L	98.4	Very high	96	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.01	14%	0.139	C	C	.	.	H	α-helix	trans	-61.2	-32.8	-179.6	-65.7	170	0	0	0	112	N146 L149 V150 E177 A178 G185 R186 R192	N146-L181 HydrophobicContact CB-CB 4.15Å; L149-L181 HydrophobicContact CD2-CD1 4.37Å; V150-L181 HydrophobicContact CG2-CD1 4.48Å; E177-L181 HydrophobicContact CG-CD1 3.84Å; E177-L181 HydrophobicContact CG-CG 4.19Å; E177-L181 VanDerWaalsContact O-CG 3.27Å; E177-L181 WeakPolarHBondContact O-CG 3.46Å; E177-L181 PolarHBondContact O-N 2.86Å; A178-L181 PolarHBondContact O-N 3.21Å; L181-G185 WeakPolarHBondContact O-CA 3.31Å; L181-G185 PolarHBondContact O-N 3.28Å; L181-R186 HydrophobicContact CD2-CG 4.08Å; L181-R192 HydrophobicContact CD1-CG 4.25Å
182	T	98.4	Very high	95.8	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-72.9	-43	179.2	-59.9	0	0	0	0	112.2	L139 M143 N146 A178 T179 F180 F442	L139-T182 HydrophobicContact CD1-CG2 3.7Å; L139-T182 HydrophobicContact CG-CG2 4.22Å; M143-T182 VanDerWaalsContact CA-OG1 3.31Å; M143-T182 WeakPolarHBondContact CA-OG1 3.38Å; M143-T182 HydrophobicContact CB-CG2 3.98Å; M143-T182 PolarHBondContact SD-OG1 3.4Å; M143-T182 VanDerWaalsContact SD-OG1 3.34Å; N146-T182 VanDerWaalsContact ND2-CA 3.34Å; N146-T182 WeakPolarHBondContact ND2-CA 3.36Å; N146-T182 PolarHBondContact ND2-N 3.27Å; N146-T182 PolarHBondContact ND2-OG1 3.13Å; A178-T182 WeakPolarHBondContact O-CB 3.38Å; A178-T182 PolarHBondContact O-N 3.27Å; A178-T182 PolarHBondContact O-OG1 2.85Å; T179-T182 PolarHBondContact O-N 3.17Å; F180-T182 PolarHBondContact O-N 3.2Å; T182-F442 HydrophobicContact CG2-CE2 4.11Å; T182-F442 HydrophobicContact CG2-CZ 3.81Å
183	I	97.9	Very high	95.6	Very high	12 Å²	12	26.4 Å²	26.4	6%	0.062	15%	0.151	C	C	.	.	H	α-helix	trans	-80.6	-49.9	-176.1	-67.5	177.8	0	0	0	110.5	T179 F180 S248 I251 I276 S280	T179-I183 HydrophobicContact CG2-CD1 3.66Å; T179-I183 HydrophobicContact CG2-CG1 4.37Å; T179-I183 WeakPolarHBondContact O-CB 3.48Å; T179-I183 WeakPolarHBondContact O-CG1 3.47Å; T179-I183 PolarHBondContact O-N 2.93Å; F180-I183 PolarHBondContact O-N 2.88Å; I183-S248 WeakPolarHBondContact O-CB 3.46Å; I183-S248 PolarHBondContact O-N 3.3Å; I183-S248 VanDerWaalsContact O-N 3.1Å; I183-S248 PolarHBondContact O-OG 3.34Å; I183-I251 HydrophobicContact CG2-CD1 3.75Å; I183-I251 HydrophobicContact CG2-CG1 3.4Å; I183-I251 VanDerWaalsContact CG2-CG1 3.4Å; I183-I251 WeakPolarHBondContact O-CG1 3.34Å; I183-I276 HydrophobicContact CG2-CG2 4.48Å; I183-S280 WeakPolarHBondContact CD1-OG 3.37Å
184	Y	97.9	Very high	95.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-101.4	-7.9	-171	-74.3	-72.8	0	0	0	114.7	F180 F236 M241 W244 N247 I251 H273 L277	F180-Y184 HydrophobicContact CD2-CD2 4.32Å; F180-Y184 HydrophobicContact CE2-CD2 4.19Å; F180-Y184 HydrophobicContact CZ-CD2 4.38Å; F180-Y184 HydrophobicContact CZ-CG 4.29Å; F180-Y184 WeakPolarHBondContact O-CB 3.44Å; F180-Y184 PolarHBondContact O-N 2.85Å; Y184-F236 HydrophobicContact CD1-CD1 4.02Å; Y184-F236 AromaticContact CD1-CE1 3.69Å; Y184-F236 HydrophobicContact CD1-CE1 3.69Å; Y184-F236 AromaticContact CD2-CE1 3.75Å; Y184-F236 HydrophobicContact CD2-CE1 3.75Å; Y184-F236 HydrophobicContact CD2-CZ 4.34Å; Y184-F236 AromaticContact CE1-CD1 3.7Å; Y184-F236 HydrophobicContact CE1-CD1 3.7Å; Y184-F236 AromaticContact CE1-CE1 3.51Å; Y184-F236 HydrophobicContact CE1-CE1 3.51Å; Y184-F236 AromaticContact CE2-CE1 3.57Å; Y184-F236 HydrophobicContact CE2-CE1 3.57Å; Y184-F236 HydrophobicContact CE2-CZ 4.02Å; Y184-F236 AromaticContact CG-CE1 3.81Å; Y184-F236 HydrophobicContact CG-CE1 3.81Å; Y184-F236 AromaticContact CZ-CD1 3.99Å; Y184-F236 AromaticContact CZ-CE1 3.46Å; Y184-F236 VanDerWaalsContact CZ-CE1 3.46Å; Y184-M241 HydrophobicContact CD1-CE 3.78Å; Y184-M241 HydrophobicContact CE1-CE 3.76Å; Y184-W244 HydrophobicContact CD1-CE3 4.32Å; Y184-W244 AromaticContact CD1-CZ3 3.8Å; Y184-W244 HydrophobicContact CD1-CZ3 3.8Å; Y184-W244 HydrophobicContact CG-CZ3 4.09Å; Y184-N247 PolarHBondContact O-ND2 2.95Å; Y184-I251 HydrophobicContact CD1-CD1 4.35Å; Y184-I251 HydrophobicContact CD1-CG1 4.18Å; Y184-I251 HydrophobicContact CD1-CG2 3.96Å; Y184-I251 HydrophobicContact CE1-CD1 3.64Å; Y184-I251 HydrophobicContact CE1-CG1 3.97Å; Y184-I251 HydrophobicContact CE1-CG2 4Å; Y184-H273 HydrophobicContact CE1-CB 4Å; Y184-H273 AromaticContact CE1-ND1 3.69Å; Y184-H273 VanDerWaalsContact OH-C 3.25Å; Y184-H273 WeakPolarHBondContact OH-CA 3.25Å; Y184-H273 WeakPolarHBondContact OH-CB 3.48Å; Y184-H273 PolarHBondContact OH-O 3.24Å; Y184-L277 HydrophobicContact CE2-CB 4.16Å; Y184-L277 HydrophobicContact CE2-CD1 4.5Å
185	G	96.8	Very high	95.1	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	20%	0.198	C	C	.	.			trans	78.3	-164.3	178.6	0	0	0	0	0	113.5	L181 H193 T245	L181-G185 WeakPolarHBondContact O-CA 3.31Å; L181-G185 PolarHBondContact O-N 3.28Å; G185-H193 PolarHBondContact O-NE2 3.23Å; G185-T245 CarbonylContact C-O 3.45Å; G185-T245 WeakPolarHBondContact CA-O 3.35Å
186	R	95.7	Very high	94.9	Very high	62 Å²	62	31 Å²	31	23%	0.234	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	151	-169.3	-59.7	-179.9	-178.7	179.8	-0.1	110.9	N146 L181 I191 W244 T245	N146-R186 PolarHBondContact OD1-NE 3.07Å; N146-R186 PolarHBondContact OD1-NH2 2.78Å; L181-R186 HydrophobicContact CD2-CG 4.08Å; R186-I191 WeakPolarHBondContact CD-O 3.46Å; R186-W244 CarbonylContact O-C 3.52Å; R186-W244 VanDerWaalsContact O-CA 3.22Å; R186-W244 WeakPolarHBondContact O-CA 3.47Å; R186-T245 PolarHBondContact N-O 3.28Å; R186-T245 PolarHBondContact O-N 2.9Å
187	P	93.8	Very high	94.8	Very high	15 Å²	15	35.2 Å²	35.2	10%	0.097	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	151.2	173.7	33	-34.8	0	0	0	110.4	T189 G190 R192	P187-T189 PolarHBondContact O-N 3.43Å; P187-G190 PolarHBondContact O-N 3.31Å; P187-R192 VanDerWaalsContact CG-O 3.24Å; P187-R192 WeakPolarHBondContact CG-O 3.46Å
188	V	88.9	Confident	94.7	Very high	108 Å²	108	44.4 Å²	44.4	66%	0.655	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-27.5	172.9	164.5	0	0	0	0	112.4	G190 Q243 T245	V188-G190 VanDerWaalsContact C-N 3.29Å; V188-G190 PolarHBondContact O-N 3.22Å; V188-Q243 WeakPolarHBondContact CG2-O 3.5Å; V188-Q243 PolarHBondContact N-O 2.93Å; V188-T245 HydrophobicContact CG2-CG2 3.95Å
189	T	85.8	Confident	94.7	Very high	140 Å²	140	44.9 Å²	44.9	86%	0.859	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-4.1	-176.3	54.3	0	0	0	0	114.5	P187	P187-T189 PolarHBondContact O-N 3.43Å
190	G	87.6	Confident	94.6	Very high	35 Å²	35	45.4 Å²	45.4	36%	0.361	26%	0.262	S	S	.	.			trans	178.5	-178	-178.6	0	0	0	0	0	114.7	P187 V188	P187-G190 PolarHBondContact O-N 3.31Å; V188-G190 VanDerWaalsContact C-N 3.29Å; V188-G190 PolarHBondContact O-N 3.22Å
191	I	90.6	Very high	94.6	Very high	87 Å²	87	48.8 Å²	48.8	45%	0.446	28%	0.279	S	S	.	.	S	Bend	trans	-86	-13.8	-178.4	58.8	-173.8	0	0	0	113.7	L149 R186	L149-I191 HydrophobicContact CD1-CD1 4.02Å; R186-I191 WeakPolarHBondContact CD-O 3.46Å
192	R	94.3	Very high	94.6	Very high	49 Å²	49	50 Å²	50	19%	0.185	29%	0.286	C	S	.	.	S	Bend	trans	-138.1	155.2	178.8	-70.4	172	73.6	172.3	6.3	110.1	L149 D154 E177 L181 P187	L149-R192 HydrophobicContact CD2-CG 4.1Å; D154-R192 IonicContact OD1-CZ 3.49Å; D154-R192 IonicContact OD1-NH1 3.5Å; D154-R192 PolarHBondContact OD1-NH1 2.72Å; D154-R192 IonicContact OD1-NH2 3.58Å; D154-R192 IonicContact OD2-CZ 2.63Å; D154-R192 IonicContact OD2-NH1 3.08Å; D154-R192 PolarHBondContact OD2-NH1 2.87Å; D154-R192 IonicContact OD2-NH2 2.8Å; D154-R192 PolarHBondContact OD2-NH2 3.31Å; E177-R192 VanDerWaalsContact CD-NE 3.33Å; E177-R192 VanDerWaalsContact CD-NH2 3.29Å; E177-R192 IonicContact OE1-CZ 2.71Å; E177-R192 IonicContact OE1-NE 3.69Å; E177-R192 PolarHBondContact OE1-NE 3.41Å; E177-R192 IonicContact OE1-NH2 3.6Å; E177-R192 PolarHBondContact OE1-NH2 3.42Å; E177-R192 IonicContact OE2-CZ 2.71Å; E177-R192 IonicContact OE2-NE 2.81Å; E177-R192 IonicContact OE2-NH2 3.43Å; E177-R192 PolarHBondContact OE2-NH2 2.58Å; L181-R192 HydrophobicContact CD1-CG 4.25Å; P187-R192 VanDerWaalsContact CG-O 3.24Å; P187-R192 WeakPolarHBondContact CG-O 3.46Å
193	H	94.6	Very high	94.6	Very high	14 Å²	14	50 Å²	50	7%	0.065	29%	0.286	C	S	.	.			trans	-78.7	136.6	176.1	-69.2	-91.3	0	0	0	111.1	F180 G185 M196 Y235 W244	F180-H193 AromaticContact CD1-CD2 3.79Å; F180-H193 AromaticContact CD1-NE2 3.99Å; F180-H193 AromaticContact CE1-CD2 3.52Å; F180-H193 AromaticContact CE1-CE1 3.93Å; F180-H193 AromaticContact CE1-NE2 3.41Å; F180-H193 WeakPolarHBondContact CE1-NE2 3.28Å; G185-H193 PolarHBondContact O-NE2 3.23Å; H193-M196 HydrophobicContact CB-CE 3.86Å; H193-Y235 WeakPolarHBondContact CB-OH 3.23Å; H193-W244 AromaticContact CE1-CD1 3.8Å; H193-W244 AromaticContact CE1-CD2 3.9Å; H193-W244 AromaticContact CE1-CE2 3.65Å; H193-W244 AromaticContact CE1-NE1 3.56Å
194	G	91.9	Very high	94.6	Very high	69 Å²	69	50.9 Å²	50.9	71%	0.711	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	139.4	169.7	0	0	0	0	0	111.6
195	G	91.9	Very high	94.6	Very high	43 Å²	43	55.5 Å²	55.5	44%	0.443	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.2	23.7	174.1	0	0	0	0	0	115.3	D197 R198 L199	G195-D197 VanDerWaalsContact C-N 3.28Å; G195-D197 PolarHBondContact O-N 3.44Å; G195-R198 PolarHBondContact O-N 2.93Å; G195-R198 VanDerWaalsContact O-N 3.07Å; G195-L199 PolarHBondContact O-N 3.04Å; G195-L199 VanDerWaalsContact O-N 3.13Å
196	M	95.2	Very high	94.7	Very high	9 Å²	9	55.5 Å²	55.5	4%	0.044	31%	0.31	C	S	.	.	H	α-helix	trans	-56	-39.8	178.9	-168.5	58.1	76.2	0	0	112.8	F176 E177 F180 H193 R198 L199 R200	F176-M196 HydrophobicContact CD1-CG 4.2Å; F176-M196 HydrophobicContact CD1-SD 3.76Å; F176-M196 HydrophobicContact CE1-CG 4.45Å; F176-M196 HydrophobicContact CE1-SD 3.58Å; F176-M196 VanDerWaalsContact CE1-SD 3.58Å; E177-M196 HydrophobicContact CB-CG 3.83Å; E177-M196 HydrophobicContact CG-CE 4.06Å; E177-M196 HydrophobicContact CG-CG 3.89Å; F180-M196 HydrophobicContact CB-CE 4.01Å; F180-M196 HydrophobicContact CB-SD 4.42Å; F180-M196 HydrophobicContact CD1-CE 3.64Å; F180-M196 HydrophobicContact CD2-CE 4.38Å; F180-M196 HydrophobicContact CE1-CE 4.3Å; F180-M196 HydrophobicContact CG-CE 3.73Å; F180-M196 HydrophobicContact CG-SD 4.3Å; H193-M196 HydrophobicContact CB-CE 3.86Å; M196-R198 VanDerWaalsContact C-N 3.32Å; M196-R198 PolarHBondContact O-N 3.48Å; M196-L199 WeakPolarHBondContact O-CB 3.44Å; M196-L199 PolarHBondContact O-N 3.11Å; M196-L199 VanDerWaalsContact O-N 3.16Å; M196-L199 HydrophobicContact SD-CD2 4.08Å; M196-R200 WeakPolarHBondContact O-CB 3.47Å; M196-R200 PolarHBondContact O-N 3.13Å
197	D	95.8	Very high	94.7	Very high	88 Å²	88	52.8 Å²	52.8	47%	0.471	30%	0.3	S	S	.	.	H	α-helix	trans	-59	-42.1	175.5	-63.4	-39.6	0	0	0	112.3	G195 L199 R200 D201	G195-D197 VanDerWaalsContact C-N 3.28Å; G195-D197 PolarHBondContact O-N 3.44Å; D197-L199 VanDerWaalsContact C-N 3.34Å; D197-L199 PolarHBondContact O-N 3.35Å; D197-R200 PolarHBondContact O-N 3.42Å; D197-R200 IonicContact OD1-CZ 2.67Å; D197-R200 IonicContact OD1-NH1 3.29Å; D197-R200 PolarHBondContact OD1-NH1 3.32Å; D197-R200 IonicContact OD1-NH2 3.93Å; D197-D201 WeakPolarHBondContact O-CB 3.17Å; D197-D201 VanDerWaalsContact O-CG 3.23Å; D197-D201 PolarHBondContact O-N 2.85Å
198	R	97.4	Very high	94.7	Very high	199 Å²	199	56.5 Å²	56.5	75%	0.751	32%	0.319	S	S	*	.	H	α-helix	trans	-67	-37.9	178.1	-63.7	-177.9	-174.8	167	2.4	111.5	G195 M196 D201 D202	G195-R198 PolarHBondContact O-N 2.93Å; G195-R198 VanDerWaalsContact O-N 3.07Å; M196-R198 VanDerWaalsContact C-N 3.32Å; M196-R198 PolarHBondContact O-N 3.48Å; R198-D201 PolarHBondContact O-N 3.35Å; R198-D202 WeakPolarHBondContact O-CB 3.31Å; R198-D202 PolarHBondContact O-N 3.02Å
199	L	97.9	Very high	95.1	Very high	11 Å²	11	53.6 Å²	53.6	6%	0.058	30%	0.299	C	S	.	.	H	α-helix	trans	-64.8	-43.9	175.5	179.3	61.8	0	0	0	110.8	F176 F180 G195 M196 D197 D202 F203 L232 Y235	F176-L199 HydrophobicContact CE1-CB 4.48Å; F176-L199 HydrophobicContact CE1-CD2 4.23Å; F176-L199 HydrophobicContact CE1-CG 4.1Å; F176-L199 HydrophobicContact CZ-CD2 4.45Å; F176-L199 HydrophobicContact CZ-CG 4.08Å; F180-L199 HydrophobicContact CD2-CD2 4.01Å; F180-L199 HydrophobicContact CE2-CD2 3.66Å; F180-L199 HydrophobicContact CZ-CD2 4.38Å; G195-L199 PolarHBondContact O-N 3.04Å; G195-L199 VanDerWaalsContact O-N 3.13Å; M196-L199 WeakPolarHBondContact O-CB 3.44Å; M196-L199 PolarHBondContact O-N 3.11Å; M196-L199 VanDerWaalsContact O-N 3.16Å; M196-L199 HydrophobicContact SD-CD2 4.08Å; D197-L199 VanDerWaalsContact C-N 3.34Å; D197-L199 PolarHBondContact O-N 3.35Å; L199-D202 PolarHBondContact O-N 3.4Å; L199-F203 VanDerWaalsContact O-CB 3.31Å; L199-F203 WeakPolarHBondContact O-CB 3.48Å; L199-F203 PolarHBondContact O-N 3.48Å; L199-L232 HydrophobicContact CD1-CD2 3.61Å; L199-Y235 HydrophobicContact CD1-CD2 4.13Å; L199-Y235 HydrophobicContact CD1-CG 4.13Å; L199-Y235 HydrophobicContact CD2-CD1 4.01Å; L199-Y235 HydrophobicContact CD2-CD2 4.36Å; L199-Y235 HydrophobicContact CD2-CE1 3.82Å; L199-Y235 HydrophobicContact CD2-CE2 4.17Å; L199-Y235 HydrophobicContact CD2-CG 4.28Å
200	R	98.1	Very high	95.5	Very high	11 Å²	11	47.3 Å²	47.3	4%	0.042	26%	0.26	C	S	.	.	H	α-helix	trans	-62.1	-43.4	175.1	-170.6	-172	69.7	-134.1	-4.5	111.9	E169 S173 F176 M196 D197 F203 H204	E169-R200 IonicContact OE1-CZ 2.88Å; E169-R200 VanDerWaalsContact OE1-CZ 3.24Å; E169-R200 IonicContact OE1-NE 2.77Å; E169-R200 IonicContact OE1-NH1 3.5Å; E169-R200 IonicContact OE1-NH2 3.65Å; E169-R200 PolarHBondContact OE1-NH2 2.64Å; S173-R200 VanDerWaalsContact CB-NH1 3.31Å; S173-R200 PolarHBondContact OG-NH1 3.22Å; F176-R200 HydrophobicContact CB-CG 4.16Å; F176-R200 HydrophobicContact CD1-CB 3.78Å; F176-R200 HydrophobicContact CD1-CG 4Å; F176-R200 HydrophobicContact CD2-CB 4.44Å; F176-R200 HydrophobicContact CD2-CG 3.99Å; F176-R200 HydrophobicContact CE1-CB 3.82Å; F176-R200 HydrophobicContact CE1-CG 4.38Å; F176-R200 HydrophobicContact CE2-CB 4.46Å; F176-R200 HydrophobicContact CE2-CG 4.38Å; F176-R200 HydrophobicContact CG-CB 4.1Å; F176-R200 HydrophobicContact CG-CG 3.79Å; F176-R200 HydrophobicContact CZ-CB 4.17Å; M196-R200 WeakPolarHBondContact O-CB 3.47Å; M196-R200 PolarHBondContact O-N 3.13Å; D197-R200 PolarHBondContact O-N 3.42Å; D197-R200 IonicContact OD1-CZ 2.67Å; D197-R200 IonicContact OD1-NH1 3.29Å; D197-R200 PolarHBondContact OD1-NH1 3.32Å; D197-R200 IonicContact OD1-NH2 3.93Å; R200-F203 WeakPolarHBondContact O-CB 3.29Å; R200-F203 PolarHBondContact O-N 3.34Å; R200-H204 PolarHBondContact O-CD2 2.83Å; R200-H204 PolarHBondContact O-N 3.32Å
201	D	98.2	Very high	95.6	Very high	70 Å²	70	47 Å²	47	37%	0.374	25%	0.251	S	S	.	.	H	α-helix	trans	-62.6	-45.8	176.9	-75	-10.2	0	0	0	112.1	D197 R198 F203 H204 K205	D197-D201 WeakPolarHBondContact O-CB 3.17Å; D197-D201 VanDerWaalsContact O-CG 3.23Å; D197-D201 PolarHBondContact O-N 2.85Å; R198-D201 PolarHBondContact O-N 3.35Å; D201-F203 VanDerWaalsContact C-N 3.3Å; D201-H204 PolarHBondContact O-N 2.73Å; D201-K205 VanDerWaalsContact O-CG 3.26Å; D201-K205 WeakPolarHBondContact O-CG 3.35Å; D201-K205 PolarHBondContact O-N 3.04Å
202	D	98.5	Very high	95.7	Very high	28 Å²	28	47.5 Å²	47.5	15%	0.15	25%	0.251	C	S	.	.	H	α-helix	trans	-66.7	-35.6	176.7	-79.4	-6.8	0	0	0	111	R198 L199 K205 F206 I228 L232	R198-D202 WeakPolarHBondContact O-CB 3.31Å; R198-D202 PolarHBondContact O-N 3.02Å; L199-D202 PolarHBondContact O-N 3.4Å; D202-K205 PolarHBondContact O-N 2.9Å; D202-K205 IonicContact OD1-NZ 2.77Å; D202-K205 PolarHBondContact OD1-NZ 3.4Å; D202-F206 PolarHBondContact O-N 3.05Å; D202-I228 HydrophobicContact CB-CG2 4.16Å; D202-I228 VanDerWaalsContact O-CG2 3.23Å; D202-I228 WeakPolarHBondContact O-CG2 3.11Å; D202-L232 HydrophobicContact CB-CD2 3.94Å; D202-L232 HydrophobicContact CB-CG 4.35Å
203	F	98.4	Very high	95.6	Very high	1 Å²	1	45.6 Å²	45.6	0%	0.004	24%	0.244	C	C	.	.	H	α-helix	trans	-58.1	-52.4	171.1	175.6	-93.4	0	0	0	111.5	F176 L199 R200 D201 K205 F206 D207 L232 F274 L277 W278 V281	F176-F203 HydrophobicContact CD2-CD1 4.4Å; F176-F203 HydrophobicContact CE2-CB 3.84Å; F176-F203 AromaticContact CE2-CD1 3.83Å; F176-F203 HydrophobicContact CE2-CD1 3.83Å; F176-F203 HydrophobicContact CE2-CD2 4.21Å; F176-F203 AromaticContact CE2-CG 3.66Å; F176-F203 HydrophobicContact CE2-CG 3.66Å; F176-F203 HydrophobicContact CZ-CB 4.05Å; F176-F203 HydrophobicContact CZ-CG 4.31Å; L199-F203 VanDerWaalsContact O-CB 3.31Å; L199-F203 WeakPolarHBondContact O-CB 3.48Å; L199-F203 PolarHBondContact O-N 3.48Å; R200-F203 WeakPolarHBondContact O-CB 3.29Å; R200-F203 PolarHBondContact O-N 3.34Å; D201-F203 VanDerWaalsContact C-N 3.3Å; F203-K205 VanDerWaalsContact C-N 3.34Å; F203-K205 PolarHBondContact O-N 3.41Å; F203-F206 PolarHBondContact O-N 2.96Å; F203-D207 HydrophobicContact CE1-CB 4.15Å; F203-D207 HydrophobicContact CZ-CB 4.33Å; F203-D207 VanDerWaalsContact O-CB 3.26Å; F203-D207 WeakPolarHBondContact O-CB 3.34Å; F203-D207 PolarHBondContact O-N 2.92Å; F203-L232 HydrophobicContact CB-CD2 4.5Å; F203-F274 HydrophobicContact CD2-CE2 4.29Å; F203-L277 HydrophobicContact CD2-CD2 4.44Å; F203-W278 HydrophobicContact CE2-CB 3.92Å; F203-W278 AromaticContact CE2-CD1 3.56Å; F203-W278 HydrophobicContact CE2-CG 4.06Å; F203-W278 AromaticContact CZ-CD1 3.71Å; F203-W278 HydrophobicContact CZ-CG 4.32Å; F203-V281 HydrophobicContact CD1-CG2 4.38Å; F203-V281 HydrophobicContact CD2-CG2 4.37Å; F203-V281 HydrophobicContact CE1-CG2 3.77Å; F203-V281 HydrophobicContact CE2-CG2 3.78Å; F203-V281 HydrophobicContact CZ-CG2 3.44Å; F203-V281 VanDerWaalsContact CZ-CG2 3.44Å
204	H	97.2	Very high	95.2	Very high	30 Å²	30	46.7 Å²	46.7	14%	0.139	25%	0.25	C	C	.	.	H	α-helix	trans	-61.6	-39.8	179	-73.2	-53	0	0	0	112.5	R200 D201 F206 D207 N208	R200-H204 PolarHBondContact O-CD2 2.83Å; R200-H204 PolarHBondContact O-N 3.32Å; D201-H204 PolarHBondContact O-N 2.73Å; H204-F206 VanDerWaalsContact C-N 3.33Å; H204-F206 PolarHBondContact O-N 3.37Å; H204-D207 PolarHBondContact O-N 2.83Å; H204-N208 WeakPolarHBondContact O-CB 3.48Å; H204-N208 PolarHBondContact O-N 3.49Å; H204-N208 PolarHBondContact O-ND2 3.41Å; H204-N208 PolarHBondContact O-OD1 2.81Å
205	K	97.8	Very high	94.9	Very high	97 Å²	97	45.8 Å²	45.8	42%	0.422	24%	0.235	S	C	.	.	H	α-helix	trans	-62.8	-39.4	175.7	-66.9	164.7	-156.3	152.9	0	112.3	D201 D202 F203 I228	D201-K205 VanDerWaalsContact O-CG 3.26Å; D201-K205 WeakPolarHBondContact O-CG 3.35Å; D201-K205 PolarHBondContact O-N 3.04Å; D202-K205 PolarHBondContact O-N 2.9Å; D202-K205 IonicContact OD1-NZ 2.77Å; D202-K205 PolarHBondContact OD1-NZ 3.4Å; F203-K205 VanDerWaalsContact C-N 3.34Å; F203-K205 PolarHBondContact O-N 3.41Å; K205-I228 HydrophobicContact CB-CD1 3.78Å; K205-I228 HydrophobicContact CB-CG2 4.49Å; K205-I228 HydrophobicContact CD-CD1 4.1Å
206	F	98.1	Very high	94.6	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-67.2	-46.3	173.7	175.2	-92.3	0	0	0	111.3	T106 F107 D202 F203 H204 N208 M209 F210 L213 T225 I228 R229 L232 F274	T106-F206 HydrophobicContact CG2-CZ 4.17Å; F107-F206 HydrophobicContact CD1-CE1 4.35Å; F107-F206 HydrophobicContact CD1-CZ 4.19Å; F107-F206 AromaticContact CE1-CE1 3.92Å; F107-F206 HydrophobicContact CE1-CE1 3.92Å; F107-F206 HydrophobicContact CE1-CZ 4.18Å; D202-F206 PolarHBondContact O-N 3.05Å; F203-F206 PolarHBondContact O-N 2.96Å; H204-F206 VanDerWaalsContact C-N 3.33Å; H204-F206 PolarHBondContact O-N 3.37Å; F206-N208 VanDerWaalsContact C-N 3.34Å; F206-N208 PolarHBondContact O-N 2.92Å; F206-M209 PolarHBondContact O-N 3.27Å; F206-F210 AromaticContact CE1-CD2 3.85Å; F206-F210 HydrophobicContact CE1-CD2 3.85Å; F206-F210 HydrophobicContact CE1-CE2 4.26Å; F206-F210 HydrophobicContact CZ-CD2 4.44Å; F206-F210 PolarHBondContact O-N 3.06Å; F206-L213 HydrophobicContact CD2-CD1 4.27Å; F206-L213 HydrophobicContact CE1-CD1 4.36Å; F206-L213 HydrophobicContact CE2-CD1 3.56Å; F206-L213 HydrophobicContact CZ-CD1 3.62Å; F206-T225 HydrophobicContact CD2-CG2 4.17Å; F206-I228 HydrophobicContact CB-CG2 4.01Å; F206-R229 HydrophobicContact CD2-CB 3.97Å; F206-R229 HydrophobicContact CD2-CG 4.37Å; F206-R229 HydrophobicContact CE2-CB 3.89Å; F206-R229 HydrophobicContact CE2-CG 3.86Å; F206-L232 HydrophobicContact CB-CD1 3.58Å; F206-L232 HydrophobicContact CG-CD1 4.02Å; F206-F274 HydrophobicContact CD1-CE1 4.1Å; F206-F274 AromaticContact CD1-CZ 3.53Å; F206-F274 HydrophobicContact CD1-CZ 3.53Å; F206-F274 HydrophobicContact CD2-CE1 4.33Å; F206-F274 HydrophobicContact CD2-CZ 4.29Å; F206-F274 AromaticContact CE1-CE1 3.8Å; F206-F274 HydrophobicContact CE1-CE1 3.8Å; F206-F274 AromaticContact CE1-CZ 3.63Å; F206-F274 HydrophobicContact CE1-CZ 3.63Å; F206-F274 HydrophobicContact CE2-CE1 4.06Å; F206-F274 HydrophobicContact CE2-CZ 4.39Å; F206-F274 HydrophobicContact CG-CE1 4.34Å; F206-F274 AromaticContact CG-CZ 3.86Å; F206-F274 HydrophobicContact CG-CZ 3.86Å; F206-F274 AromaticContact CZ-CE1 3.78Å; F206-F274 HydrophobicContact CZ-CE1 3.78Å; F206-F274 HydrophobicContact CZ-CZ 4.08Å
207	D	96.3	Very high	94.4	Very high	4 Å²	4	50.2 Å²	50.2	2%	0.021	25%	0.246	C	C	.	.	H	α-helix	trans	-64.8	-35.4	-176.4	-173	50.1	0	0	0	112.6	F203 H204 M209 F210 W278 R475	F203-D207 HydrophobicContact CE1-CB 4.15Å; F203-D207 HydrophobicContact CZ-CB 4.33Å; F203-D207 VanDerWaalsContact O-CB 3.26Å; F203-D207 WeakPolarHBondContact O-CB 3.34Å; F203-D207 PolarHBondContact O-N 2.92Å; H204-D207 PolarHBondContact O-N 2.83Å; D207-M209 PolarHBondContact O-N 3.46Å; D207-M209 VanDerWaalsContact O-N 3.17Å; D207-F210 WeakPolarHBondContact O-CB 3.45Å; D207-F210 PolarHBondContact O-N 3.25Å; D207-W278 PolarHBondContact OD1-NE1 3.44Å; D207-R475 PolarHBondContact O-NH1 3.02Å; D207-R475 VanDerWaalsContact O-NH1 3.12Å; D207-R475 IonicContact OD1-CZ 3.74Å; D207-R475 IonicContact OD1-NH1 2.83Å; D207-R475 PolarHBondContact OD1-NH1 3.35Å; D207-R475 VanDerWaalsContact OD1-NH1 3.12Å; D207-R475 IonicContact OD1-NH2 2.92Å; D207-R475 PolarHBondContact OD1-NH2 2.77Å; D207-R475 IonicContact OD2-CZ 3.21Å; D207-R475 VanDerWaalsContact OD2-CZ 3.31Å; D207-R475 IonicContact OD2-NH1 3.77Å; D207-R475 PolarHBondContact OD2-NH1 3.15Å; D207-R475 IonicContact OD2-NH2 2.65Å; D207-R475 PolarHBondContact OD2-NH2 3.29Å
208	N	94.9	Very high	94.2	Very high	94 Å²	94	48.9 Å²	48.9	50%	0.503	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-24.7	171.9	-73.3	-15.7	0	0	0	113.1	H204 F206	H204-N208 WeakPolarHBondContact O-CB 3.48Å; H204-N208 PolarHBondContact O-N 3.49Å; H204-N208 PolarHBondContact O-ND2 3.41Å; H204-N208 PolarHBondContact O-OD1 2.81Å; F206-N208 VanDerWaalsContact C-N 3.34Å; F206-N208 PolarHBondContact O-N 2.92Å
209	M	95.8	Very high	94.1	Very high	46 Å²	46	40.6 Å²	40.6	23%	0.227	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	-2.9	177.7	-61.6	-56.6	-60.3	0	0	112.8	F206 D207 P211 F212 L213 L222 T225	F206-M209 PolarHBondContact O-N 3.27Å; D207-M209 PolarHBondContact O-N 3.46Å; D207-M209 VanDerWaalsContact O-N 3.17Å; M209-P211 VanDerWaalsContact C-CD 3.48Å; M209-F212 HydrophobicContact CE-CD2 3.57Å; M209-F212 HydrophobicContact CE-CE2 4.09Å; M209-F212 HydrophobicContact CE-CG 4.36Å; M209-F212 PolarHBondContact O-N 3.19Å; M209-F212 VanDerWaalsContact O-N 3.15Å; M209-F212 HydrophobicContact SD-CD2 4.2Å; M209-F212 HydrophobicContact SD-CE2 4.43Å; M209-L213 PolarHBondContact O-N 3.33Å; M209-L213 VanDerWaalsContact O-N 3.17Å; M209-L222 HydrophobicContact CE-CB 3.9Å; M209-L222 HydrophobicContact CE-CD1 4.28Å; M209-L222 HydrophobicContact CE-CD2 3.77Å; M209-L222 HydrophobicContact CE-CG 4.19Å; M209-T225 HydrophobicContact CB-CG2 3.89Å; M209-T225 HydrophobicContact CG-CG2 4.36Å; M209-T225 WeakPolarHBondContact CG-OG1 3.43Å
210	F	94	Very high	93.9	Very high	8 Å²	8	49 Å²	49	4%	0.035	24%	0.244	C	C	.	.	H	α-helix	trans	-58.1	-40.3	-177.1	-158.8	-95.3	0	0	0	114.4	T106 F107 F206 D207 F212 L213 I214 W278 L478	T106-F210 HydrophobicContact CG2-CD2 3.98Å; T106-F210 HydrophobicContact CG2-CE2 3.44Å; T106-F210 VanDerWaalsContact CG2-CE2 3.44Å; T106-F210 HydrophobicContact CG2-CZ 4.1Å; F107-F210 HydrophobicContact CE1-CE2 4.19Å; F107-F210 HydrophobicContact CE2-CE2 4.14Å; F107-F210 HydrophobicContact CE2-CZ 4.36Å; F107-F210 AromaticContact CZ-CE2 3.57Å; F107-F210 HydrophobicContact CZ-CE2 3.57Å; F107-F210 HydrophobicContact CZ-CZ 4.08Å; F206-F210 AromaticContact CE1-CD2 3.85Å; F206-F210 HydrophobicContact CE1-CD2 3.85Å; F206-F210 HydrophobicContact CE1-CE2 4.26Å; F206-F210 HydrophobicContact CZ-CD2 4.44Å; F206-F210 PolarHBondContact O-N 3.06Å; D207-F210 WeakPolarHBondContact O-CB 3.45Å; D207-F210 PolarHBondContact O-N 3.25Å; F210-F212 VanDerWaalsContact C-N 3.26Å; F210-F212 PolarHBondContact O-N 3.47Å; F210-L213 PolarHBondContact O-N 2.9Å; F210-L213 VanDerWaalsContact O-N 3.12Å; F210-I214 HydrophobicContact CD1-CD1 4.29Å; F210-I214 HydrophobicContact CD1-CG1 3.6Å; F210-I214 HydrophobicContact CE1-CD1 3.54Å; F210-I214 HydrophobicContact CE1-CG1 3.33Å; F210-I214 HydrophobicContact CG-CG1 4.48Å; F210-I214 HydrophobicContact CZ-CD1 3.77Å; F210-I214 HydrophobicContact CZ-CG1 4.02Å; F210-I214 WeakPolarHBondContact O-CG1 3.47Å; F210-I214 PolarHBondContact O-N 2.99Å; F210-W278 HydrophobicContact CD1-CH2 4.01Å; F210-W278 AromaticContact CD1-CZ2 3.42Å; F210-W278 HydrophobicContact CD1-CZ2 3.42Å; F210-W278 VanDerWaalsContact CD1-CZ2 3.42Å; F210-W278 HydrophobicContact CD2-CD2 4.36Å; F210-W278 AromaticContact CD2-CE2 3.63Å; F210-W278 AromaticContact CD2-CZ2 3.87Å; F210-W278 HydrophobicContact CD2-CZ2 3.87Å; F210-W278 AromaticContact CD2-NE1 3.49Å; F210-W278 AromaticContact CE1-CE2 3.9Å; F210-W278 AromaticContact CE1-CH2 3.32Å; F210-W278 HydrophobicContact CE1-CH2 3.32Å; F210-W278 AromaticContact CE1-CZ2 3.19Å; F210-W278 HydrophobicContact CE1-CZ2 3.19Å; F210-W278 HydrophobicContact CE1-CZ3 4.11Å; F210-W278 AromaticContact CE2-CD2 3.8Å; F210-W278 HydrophobicContact CE2-CD2 3.8Å; F210-W278 AromaticContact CE2-CE2 3.44Å; F210-W278 VanDerWaalsContact CE2-CE2 3.44Å; F210-W278 HydrophobicContact CE2-CE3 4.28Å; F210-W278 HydrophobicContact CE2-CG 4.32Å; F210-W278 HydrophobicContact CE2-CH2 4.19Å; F210-W278 AromaticContact CE2-CZ2 3.68Å; F210-W278 HydrophobicContact CE2-CZ2 3.68Å; F210-W278 HydrophobicContact CE2-CZ3 4.46Å; F210-W278 AromaticContact CE2-NE1 3.71Å; F210-W278 AromaticContact CG-CE2 3.94Å; F210-W278 AromaticContact CG-CZ2 3.75Å; F210-W278 HydrophobicContact CG-CZ2 3.75Å; F210-W278 AromaticContact CG-NE1 3.91Å; F210-W278 AromaticContact CZ-CD2 3.95Å; F210-W278 HydrophobicContact CZ-CD2 3.95Å; F210-W278 AromaticContact CZ-CE2 3.58Å; F210-W278 HydrophobicContact CZ-CE3 4.01Å; F210-W278 AromaticContact CZ-CH2 3.43Å; F210-W278 HydrophobicContact CZ-CH2 3.43Å; F210-W278 VanDerWaalsContact CZ-CH2 3.43Å; F210-W278 AromaticContact CZ-CZ2 3.33Å; F210-W278 HydrophobicContact CZ-CZ2 3.33Å; F210-W278 AromaticContact CZ-CZ3 3.77Å; F210-W278 HydrophobicContact CZ-CZ3 3.77Å; F210-L478 HydrophobicContact CD1-CD1 4.14Å; F210-L478 HydrophobicContact CD1-CD2 4.39Å; F210-L478 HydrophobicContact CE1-CD2 4.49Å
211	P	90.9	Very high	93.8	Very high	29 Å²	29	53.3 Å²	53.3	19%	0.188	27%	0.267	C	S	.	.	H	α-helix	trans	-55.8	-40	175.3	-23.6	31.9	0	0	0	113.3	M209 A215 S474 L478	M209-P211 VanDerWaalsContact C-CD 3.48Å; P211-A215 WeakPolarHBondContact O-CB 3.06Å; P211-A215 PolarHBondContact O-N 3.47Å; P211-S474 VanDerWaalsContact CG-O 3.31Å; P211-S474 WeakPolarHBondContact CG-O 3.38Å; P211-L478 HydrophobicContact CB-CD1 4.04Å; P211-L478 HydrophobicContact CG-CD1 3.68Å
212	F	91.4	Very high	93.7	Very high	98 Å²	98	50.9 Å²	50.9	43%	0.43	25%	0.254	S	S	.	.	H	α-helix	trans	-72.4	-35.4	178.3	-60.1	-67.2	0	0	0	112.6	M209 F210 A215 Q216 I217 L222	M209-F212 HydrophobicContact CE-CD2 3.57Å; M209-F212 HydrophobicContact CE-CE2 4.09Å; M209-F212 HydrophobicContact CE-CG 4.36Å; M209-F212 PolarHBondContact O-N 3.19Å; M209-F212 VanDerWaalsContact O-N 3.15Å; M209-F212 HydrophobicContact SD-CD2 4.2Å; M209-F212 HydrophobicContact SD-CE2 4.43Å; F210-F212 VanDerWaalsContact C-N 3.26Å; F210-F212 PolarHBondContact O-N 3.47Å; F212-A215 CarbonylContact O-C 3.48Å; F212-A215 PolarHBondContact O-N 3.4Å; F212-Q216 PolarHBondContact O-N 3.45Å; F212-I217 HydrophobicContact CB-CB 4.43Å; F212-I217 HydrophobicContact CB-CD1 4.06Å; F212-I217 HydrophobicContact CB-CG1 4.45Å; F212-I217 HydrophobicContact CD1-CD1 3.61Å; F212-I217 HydrophobicContact CG-CD1 4.26Å; F212-I217 WeakPolarHBondContact O-CB 3.23Å; F212-I217 PolarHBondContact O-N 3.13Å; F212-L222 HydrophobicContact CB-CD1 3.93Å; F212-L222 HydrophobicContact CB-CD2 4.01Å; F212-L222 HydrophobicContact CG-CD2 4.47Å
213	L	92.2	Very high	93.6	Very high	9 Å²	9	52.6 Å²	52.6	5%	0.047	28%	0.278	C	S	.	.	H	α-helix	trans	-65.5	-43	175	-65.8	171.1	0	0	0	111.4	T106 F206 M209 F210 A215 Q216 I219 L222 T225	T106-L213 HydrophobicContact CG2-CB 3.98Å; T106-L213 HydrophobicContact CG2-CD1 4.14Å; F206-L213 HydrophobicContact CD2-CD1 4.27Å; F206-L213 HydrophobicContact CE1-CD1 4.36Å; F206-L213 HydrophobicContact CE2-CD1 3.56Å; F206-L213 HydrophobicContact CZ-CD1 3.62Å; M209-L213 PolarHBondContact O-N 3.33Å; M209-L213 VanDerWaalsContact O-N 3.17Å; F210-L213 PolarHBondContact O-N 2.9Å; F210-L213 VanDerWaalsContact O-N 3.12Å; L213-A215 VanDerWaalsContact C-N 3.32Å; L213-A215 PolarHBondContact O-N 2.95Å; L213-Q216 WeakPolarHBondContact O-CA 3.48Å; L213-Q216 PolarHBondContact O-N 2.96Å; L213-I219 HydrophobicContact CD2-CB 3.99Å; L213-I219 HydrophobicContact CD2-CD1 3.89Å; L213-I219 HydrophobicContact CD2-CG1 3.82Å; L213-L222 HydrophobicContact CD2-CD1 3.64Å; L213-L222 HydrophobicContact CG-CD1 4.03Å; L213-T225 HydrophobicContact CD1-CG2 4.22Å
214	I	87.1	Confident	93.5	Very high	37 Å²	37	62.5 Å²	62.5	19%	0.19	32%	0.315	C	S	.	.	H	α-helix	trans	-65.9	-35.6	174.8	-66.6	-59	0	0	0	111.7	F98 V102 F210 Q216 L478	F98-I214 HydrophobicContact CE2-CG2 4.47Å; F98-I214 HydrophobicContact CZ-CD1 4.42Å; F98-I214 HydrophobicContact CZ-CG2 3.99Å; V102-I214 HydrophobicContact CG1-CD1 3.52Å; F210-I214 HydrophobicContact CD1-CD1 4.29Å; F210-I214 HydrophobicContact CD1-CG1 3.6Å; F210-I214 HydrophobicContact CE1-CD1 3.54Å; F210-I214 HydrophobicContact CE1-CG1 3.33Å; F210-I214 HydrophobicContact CG-CG1 4.48Å; F210-I214 HydrophobicContact CZ-CD1 3.77Å; F210-I214 HydrophobicContact CZ-CG1 4.02Å; F210-I214 WeakPolarHBondContact O-CG1 3.47Å; F210-I214 PolarHBondContact O-N 2.99Å; I214-Q216 PolarHBondContact O-N 3Å; I214-Q216 VanDerWaalsContact O-N 3.09Å; I214-L478 HydrophobicContact CB-CD2 4.37Å; I214-L478 HydrophobicContact CG1-CD2 4.04Å; I214-L478 HydrophobicContact CG2-CD2 4.25Å
215	A	84.8	Confident	93.5	Very high	49 Å²	49	61.3 Å²	61.3	41%	0.405	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	1.4	169.7	0	0	0	0	0	113.5	P211 F212 L213 I217	P211-A215 WeakPolarHBondContact O-CB 3.06Å; P211-A215 PolarHBondContact O-N 3.47Å; F212-A215 CarbonylContact O-C 3.48Å; F212-A215 PolarHBondContact O-N 3.4Å; L213-A215 VanDerWaalsContact C-N 3.32Å; L213-A215 PolarHBondContact O-N 2.95Å; A215-I217 HydrophobicContact CB-CG1 4.35Å; A215-I217 PolarHBondContact O-N 3.41Å
216	Q	86.9	Confident	93.5	Very high	84 Å²	84	59.4 Å²	59.4	39%	0.393	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.8	29.8	179.8	-66.1	171.3	85.1	0	0	113.4	F212 L213 I214 P218	F212-Q216 PolarHBondContact O-N 3.45Å; L213-Q216 WeakPolarHBondContact O-CA 3.48Å; L213-Q216 PolarHBondContact O-N 2.96Å; I214-Q216 PolarHBondContact O-N 3Å; I214-Q216 VanDerWaalsContact O-N 3.09Å; Q216-P218 WeakPolarHBondContact O-CD 3.31Å
217	I	89.8	Confident	93.6	Very high	62 Å²	62	61.7 Å²	61.7	32%	0.318	32%	0.323	S	S	.	.			trans	-65	127.7	167.6	-58.8	-170.7	0	0	0	107.6	F212 A215 I219 L221 L222	F212-I217 HydrophobicContact CB-CB 4.43Å; F212-I217 HydrophobicContact CB-CD1 4.06Å; F212-I217 HydrophobicContact CB-CG1 4.45Å; F212-I217 HydrophobicContact CD1-CD1 3.61Å; F212-I217 HydrophobicContact CG-CD1 4.26Å; F212-I217 WeakPolarHBondContact O-CB 3.23Å; F212-I217 PolarHBondContact O-N 3.13Å; A215-I217 HydrophobicContact CB-CG1 4.35Å; A215-I217 PolarHBondContact O-N 3.41Å; I217-I219 PolarHBondContact O-N 3.45Å; I217-I219 VanDerWaalsContact O-N 3.13Å; I217-L221 HydrophobicContact CG2-CB 4.41Å; I217-L221 HydrophobicContact CG2-CD1 4.43Å; I217-L222 HydrophobicContact CB-CD2 4.31Å; I217-L222 HydrophobicContact CG2-CD2 3.73Å; I217-L222 HydrophobicContact CG2-CG 4.31Å
218	P	92.3	Very high	93.7	Very high	60 Å²	60	62.4 Å²	62.4	39%	0.39	33%	0.327	S	S	.	.			trans	-54	122.5	-180	-25.6	31.3	0	0	0	111.9	Q216 W220 L221	Q216-P218 WeakPolarHBondContact O-CD 3.31Å; P218-W220 HydrophobicContact CB-CD2 4.5Å; P218-W220 HydrophobicContact CB-CG 4.37Å; P218-W220 HydrophobicContact CB-CZ2 4.37Å; P218-W220 PolarHBondContact O-N 2.91Å; P218-L221 HydrophobicContact CB-CD1 4.18Å; P218-L221 HydrophobicContact CB-CG 4.43Å; P218-L221 HydrophobicContact CG-CD1 4.11Å; P218-L221 VanDerWaalsContact O-CB 3.32Å; P218-L221 WeakPolarHBondContact O-CB 3.25Å; P218-L221 PolarHBondContact O-N 2.95Å
219	I	95.3	Very high	93.8	Very high	25 Å²	25	59.2 Å²	59.2	13%	0.128	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-58.4	-25.7	-171.8	-168.7	170.3	0	0	0	113.9	L213 I217 L221 L222 T225 L226 R229	L213-I219 HydrophobicContact CD2-CB 3.99Å; L213-I219 HydrophobicContact CD2-CD1 3.89Å; L213-I219 HydrophobicContact CD2-CG1 3.82Å; I217-I219 PolarHBondContact O-N 3.45Å; I217-I219 VanDerWaalsContact O-N 3.13Å; I219-L221 PolarHBondContact O-N 3.02Å; I219-L222 WeakPolarHBondContact O-CB 3.04Å; I219-L222 PolarHBondContact O-N 3.49Å; I219-T225 HydrophobicContact CD1-CG2 4.09Å; I219-T225 HydrophobicContact CG1-CG2 4.06Å; I219-L226 HydrophobicContact CD1-CB 4.29Å; I219-L226 HydrophobicContact CD1-CD1 4.2Å; I219-L226 HydrophobicContact CG1-CB 4.1Å; I219-L226 HydrophobicContact CG2-CB 4.47Å; I219-L226 HydrophobicContact CG2-CD1 4Å; I219-R229 HydrophobicContact CD1-CB 4.41Å; I219-R229 VanDerWaalsContact CD1-CZ 3.49Å
220	W	94.1	Very high	94	Very high	188 Å²	188	62.6 Å²	62.6	71%	0.712	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-68.9	-16.9	175.9	61.8	-94.4	0	0	0	113.4	P218	P218-W220 HydrophobicContact CB-CD2 4.5Å; P218-W220 HydrophobicContact CB-CG 4.37Å; P218-W220 HydrophobicContact CB-CZ2 4.37Å; P218-W220 PolarHBondContact O-N 2.91Å
221	L	96	Very high	94.2	Very high	100 Å²	100	68 Å²	68	52%	0.524	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-83.5	-12.8	170.1	-65.3	172.2	0	0	0	112.7	I217 P218 I219 G223	I217-L221 HydrophobicContact CG2-CB 4.41Å; I217-L221 HydrophobicContact CG2-CD1 4.43Å; P218-L221 HydrophobicContact CB-CD1 4.18Å; P218-L221 HydrophobicContact CB-CG 4.43Å; P218-L221 HydrophobicContact CG-CD1 4.11Å; P218-L221 VanDerWaalsContact O-CB 3.32Å; P218-L221 WeakPolarHBondContact O-CB 3.25Å; P218-L221 PolarHBondContact O-N 2.95Å; I219-L221 PolarHBondContact O-N 3.02Å; L221-G223 VanDerWaalsContact C-N 3.27Å; L221-G223 PolarHBondContact O-N 3.37Å
222	L	96	Very high	94.5	Very high	20 Å²	20	66.7 Å²	66.7	11%	0.105	34%	0.338	C	S	.	.	S	Bend	trans	-93.9	37.5	-173.8	-56	-175.8	0	0	0	112.1	M209 F212 L213 I217 I219 R224 T225	M209-L222 HydrophobicContact CE-CB 3.9Å; M209-L222 HydrophobicContact CE-CD1 4.28Å; M209-L222 HydrophobicContact CE-CD2 3.77Å; M209-L222 HydrophobicContact CE-CG 4.19Å; F212-L222 HydrophobicContact CB-CD1 3.93Å; F212-L222 HydrophobicContact CB-CD2 4.01Å; F212-L222 HydrophobicContact CG-CD2 4.47Å; L213-L222 HydrophobicContact CD2-CD1 3.64Å; L213-L222 HydrophobicContact CG-CD1 4.03Å; I217-L222 HydrophobicContact CB-CD2 4.31Å; I217-L222 HydrophobicContact CG2-CD2 3.73Å; I217-L222 HydrophobicContact CG2-CG 4.31Å; I219-L222 WeakPolarHBondContact O-CB 3.04Å; I219-L222 PolarHBondContact O-N 3.49Å; L222-R224 PolarHBondContact O-N 3.28Å; L222-T225 VanDerWaalsContact O-CB 3.26Å; L222-T225 WeakPolarHBondContact O-CB 3.5Å; L222-T225 PolarHBondContact O-N 2.96Å; L222-T225 VanDerWaalsContact O-N 3.12Å; L222-T225 PolarHBondContact O-OG1 3.16Å
223	G	95.6	Very high	94.9	Very high	64 Å²	64	62.5 Å²	62.5	66%	0.66	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	-121.6	176.5	0	0	0	0	0	113.5	L221 T225	L221-G223 VanDerWaalsContact C-N 3.27Å; L221-G223 PolarHBondContact O-N 3.37Å; G223-T225 VanDerWaalsContact C-N 3.26Å; G223-T225 PolarHBondContact O-N 3.48Å
224	R	97.1	Very high	95.2	Very high	209 Å²	209	64.6 Å²	64.6	79%	0.789	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-1.7	-176.8	-64.8	-174.4	-179.6	-176.9	0.6	114.3	L222 L226 A227 I228	L222-R224 PolarHBondContact O-N 3.28Å; R224-L226 VanDerWaalsContact C-N 3.29Å; R224-L226 PolarHBondContact O-N 3.35Å; R224-A227 PolarHBondContact O-N 2.89Å; R224-A227 VanDerWaalsContact O-N 3.09Å; R224-I228 HydrophobicContact CB-CD1 4.08Å; R224-I228 HydrophobicContact CB-CG1 4.5Å; R224-I228 WeakPolarHBondContact O-CG1 3.42Å; R224-I228 PolarHBondContact O-N 3.38Å
225	T	98.1	Very high	95.6	Very high	5 Å²	5	65.4 Å²	65.4	3%	0.031	34%	0.336	C	S	.	.	H	α-helix	trans	-57.6	-39.7	-174.1	-53.1	0	0	0	0	112.6	F206 M209 L213 I219 L222 G223 A227 I228 R229	F206-T225 HydrophobicContact CD2-CG2 4.17Å; M209-T225 HydrophobicContact CB-CG2 3.89Å; M209-T225 HydrophobicContact CG-CG2 4.36Å; M209-T225 WeakPolarHBondContact CG-OG1 3.43Å; L213-T225 HydrophobicContact CD1-CG2 4.22Å; I219-T225 HydrophobicContact CD1-CG2 4.09Å; I219-T225 HydrophobicContact CG1-CG2 4.06Å; L222-T225 VanDerWaalsContact O-CB 3.26Å; L222-T225 WeakPolarHBondContact O-CB 3.5Å; L222-T225 PolarHBondContact O-N 2.96Å; L222-T225 VanDerWaalsContact O-N 3.12Å; L222-T225 PolarHBondContact O-OG1 3.16Å; G223-T225 VanDerWaalsContact C-N 3.26Å; G223-T225 PolarHBondContact O-N 3.48Å; T225-A227 PolarHBondContact O-N 3.03Å; T225-I228 PolarHBondContact O-N 2.92Å; T225-R229 WeakPolarHBondContact O-CB 3.38Å; T225-R229 PolarHBondContact O-N 2.78Å
226	L	97.8	Very high	96.2	Very high	56 Å²	56	63 Å²	63	29%	0.293	32%	0.317	S	S	.	.	H	α-helix	trans	-61.7	-45.2	176.9	179.5	58.4	0	0	0	112.1	I219 R224 R229 Q230	I219-L226 HydrophobicContact CD1-CB 4.29Å; I219-L226 HydrophobicContact CD1-CD1 4.2Å; I219-L226 HydrophobicContact CG1-CB 4.1Å; I219-L226 HydrophobicContact CG2-CB 4.47Å; I219-L226 HydrophobicContact CG2-CD1 4Å; R224-L226 VanDerWaalsContact C-N 3.29Å; R224-L226 PolarHBondContact O-N 3.35Å; L226-R229 PolarHBondContact O-N 2.61Å; L226-Q230 WeakPolarHBondContact O-CG 3.26Å; L226-Q230 PolarHBondContact O-N 2.92Å
227	A	98.4	Very high	96.8	Very high	48 Å²	48	60.8 Å²	60.8	40%	0.397	31%	0.307	S	S	.	.	H	α-helix	trans	-67.9	-39.1	178.8	0	0	0	0	0	111.7	R224 T225 Q230 K231	R224-A227 PolarHBondContact O-N 2.89Å; R224-A227 VanDerWaalsContact O-N 3.09Å; T225-A227 PolarHBondContact O-N 3.03Å; A227-Q230 PolarHBondContact O-N 3.04Å; A227-K231 WeakPolarHBondContact O-CG 3.4Å; A227-K231 PolarHBondContact O-N 3.09Å
228	I	98.6	Very high	97.1	Very high	19 Å²	19	59.1 Å²	59.1	10%	0.097	30%	0.301	C	S	.	.	H	α-helix	trans	-63.7	-45.7	175.4	-67.5	163.7	0	0	0	110.3	D202 K205 F206 R224 T225 Q230 K231 L232	D202-I228 HydrophobicContact CB-CG2 4.16Å; D202-I228 VanDerWaalsContact O-CG2 3.23Å; D202-I228 WeakPolarHBondContact O-CG2 3.11Å; K205-I228 HydrophobicContact CB-CD1 3.78Å; K205-I228 HydrophobicContact CB-CG2 4.49Å; K205-I228 HydrophobicContact CD-CD1 4.1Å; F206-I228 HydrophobicContact CB-CG2 4.01Å; R224-I228 HydrophobicContact CB-CD1 4.08Å; R224-I228 HydrophobicContact CB-CG1 4.5Å; R224-I228 WeakPolarHBondContact O-CG1 3.42Å; R224-I228 PolarHBondContact O-N 3.38Å; T225-I228 PolarHBondContact O-N 2.92Å; I228-Q230 VanDerWaalsContact C-N 3.3Å; I228-Q230 PolarHBondContact O-N 2.92Å; I228-K231 WeakPolarHBondContact O-CB 3.35Å; I228-K231 PolarHBondContact O-N 3.21Å; I228-K231 VanDerWaalsContact O-N 3.13Å; I228-L232 HydrophobicContact CG2-CD1 3.93Å; I228-L232 HydrophobicContact CG2-CG 4.41Å; I228-L232 WeakPolarHBondContact O-CG 3.36Å; I228-L232 PolarHBondContact O-N 3.3Å
229	R	98.4	Very high	97.2	Very high	28 Å²	28	61.6 Å²	61.6	11%	0.106	31%	0.307	C	S	.	.	H	α-helix	trans	-56.3	-45.1	174.8	-175	178.6	69.8	178.5	4.1	111.4	L105 T106 F206 I219 T225 L226 K231 L232 I233 F274	L105-R229 PolarHBondContact O-NH1 3.29Å; T106-R229 WeakPolarHBondContact O-CD 3.07Å; T106-R229 PolarHBondContact O-NH1 3.09Å; F206-R229 HydrophobicContact CD2-CB 3.97Å; F206-R229 HydrophobicContact CD2-CG 4.37Å; F206-R229 HydrophobicContact CE2-CB 3.89Å; F206-R229 HydrophobicContact CE2-CG 3.86Å; I219-R229 HydrophobicContact CD1-CB 4.41Å; I219-R229 VanDerWaalsContact CD1-CZ 3.49Å; T225-R229 WeakPolarHBondContact O-CB 3.38Å; T225-R229 PolarHBondContact O-N 2.78Å; L226-R229 PolarHBondContact O-N 2.61Å; R229-K231 VanDerWaalsContact C-N 3.34Å; R229-K231 PolarHBondContact O-N 2.93Å; R229-L232 PolarHBondContact O-N 3.26Å; R229-I233 HydrophobicContact CG-CD1 3.8Å; R229-I233 HydrophobicContact CG-CG1 4.33Å; R229-I233 WeakPolarHBondContact O-CB 3.47Å; R229-I233 WeakPolarHBondContact O-CG1 3.22Å; R229-I233 PolarHBondContact O-N 2.81Å; R229-F274 HydrophobicContact CG-CE1 4.22Å
230	Q	98.4	Very high	97.2	Very high	116 Å²	116	63.7 Å²	63.7	54%	0.542	32%	0.316	S	S	.	.	H	α-helix	trans	-61.7	-40.1	177.3	-73.6	170.8	-11.7	0	0	112.5	L226 A227 I228 I233 S234	L226-Q230 WeakPolarHBondContact O-CG 3.26Å; L226-Q230 PolarHBondContact O-N 2.92Å; A227-Q230 PolarHBondContact O-N 3.04Å; I228-Q230 VanDerWaalsContact C-N 3.3Å; I228-Q230 PolarHBondContact O-N 2.92Å; Q230-I233 PolarHBondContact O-N 3.4Å; Q230-S234 WeakPolarHBondContact O-CB 3.49Å; Q230-S234 PolarHBondContact O-N 3.45Å
231	K	98.1	Very high	97.3	Very high	122 Å²	122	55.6 Å²	55.6	53%	0.53	29%	0.286	S	S	.	.	H	α-helix	trans	-61.6	-47.5	173.7	-70.9	176.9	178	-172.1	0	111.8	A227 I228 R229 I233 S234 Y235	A227-K231 WeakPolarHBondContact O-CG 3.4Å; A227-K231 PolarHBondContact O-N 3.09Å; I228-K231 WeakPolarHBondContact O-CB 3.35Å; I228-K231 PolarHBondContact O-N 3.21Å; I228-K231 VanDerWaalsContact O-N 3.13Å; R229-K231 VanDerWaalsContact C-N 3.34Å; R229-K231 PolarHBondContact O-N 2.93Å; K231-I233 PolarHBondContact O-N 2.75Å; K231-S234 PolarHBondContact O-N 3.46Å; K231-S234 VanDerWaalsContact O-N 3.16Å; K231-S234 PolarHBondContact O-OG 3.37Å; K231-Y235 PolarHBondContact O-N 2.59Å
232	L	98.6	Very high	97.2	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-61.7	-44	178.7	-68	169.7	0	0	0	111.6	L199 D202 F203 F206 I228 R229 S234 Y235 F236 F274	L199-L232 HydrophobicContact CD1-CD2 3.61Å; D202-L232 HydrophobicContact CB-CD2 3.94Å; D202-L232 HydrophobicContact CB-CG 4.35Å; F203-L232 HydrophobicContact CB-CD2 4.5Å; F206-L232 HydrophobicContact CB-CD1 3.58Å; F206-L232 HydrophobicContact CG-CD1 4.02Å; I228-L232 HydrophobicContact CG2-CD1 3.93Å; I228-L232 HydrophobicContact CG2-CG 4.41Å; I228-L232 WeakPolarHBondContact O-CG 3.36Å; I228-L232 PolarHBondContact O-N 3.3Å; R229-L232 PolarHBondContact O-N 3.26Å; L232-S234 VanDerWaalsContact C-N 3.34Å; L232-S234 PolarHBondContact O-N 2.92Å; L232-Y235 WeakPolarHBondContact O-CB 3.29Å; L232-Y235 PolarHBondContact O-N 3.15Å; L232-F236 WeakPolarHBondContact O-CD2 3.35Å; L232-F274 HydrophobicContact CB-CD1 4.27Å; L232-F274 HydrophobicContact CB-CD2 3.76Å; L232-F274 HydrophobicContact CB-CE1 4.15Å; L232-F274 HydrophobicContact CB-CE2 3.64Å; L232-F274 HydrophobicContact CB-CG 4.1Å; L232-F274 HydrophobicContact CB-CZ 3.84Å; L232-F274 HydrophobicContact CD1-CD2 4.48Å; L232-F274 HydrophobicContact CD1-CE1 4.18Å; L232-F274 HydrophobicContact CD1-CE2 3.52Å; L232-F274 HydrophobicContact CD1-CZ 3.33Å; L232-F274 HydrophobicContact CD2-CE2 4.3Å; L232-F274 HydrophobicContact CG-CE2 4.01Å; L232-F274 HydrophobicContact CG-CZ 4.16Å
233	I	98.7	Very high	97.1	Very high	10 Å²	10	60.1 Å²	60.1	5%	0.051	32%	0.315	C	S	.	.	H	α-helix	trans	-59	-46.3	173.5	-67.7	167	0	0	0	110.3	F107 R229 Q230 K231 Y235 F236 V267 A270 A271 F274	F107-I233 WeakPolarHBondContact O-CD1 3.48Å; R229-I233 HydrophobicContact CG-CD1 3.8Å; R229-I233 HydrophobicContact CG-CG1 4.33Å; R229-I233 WeakPolarHBondContact O-CB 3.47Å; R229-I233 WeakPolarHBondContact O-CG1 3.22Å; R229-I233 PolarHBondContact O-N 2.81Å; Q230-I233 PolarHBondContact O-N 3.4Å; K231-I233 PolarHBondContact O-N 2.75Å; I233-Y235 PolarHBondContact O-N 3.07Å; I233-Y235 VanDerWaalsContact O-N 3.09Å; I233-F236 PolarHBondContact O-N 2.79Å; I233-V267 HydrophobicContact CG2-CG2 3.76Å; I233-A270 HydrophobicContact CG2-CB 3.76Å; I233-A270 WeakPolarHBondContact O-CB 3.45Å; I233-A271 HydrophobicContact CD1-CB 3.94Å; I233-A271 HydrophobicContact CG1-CB 3.95Å; I233-A271 HydrophobicContact CG2-CB 4.2Å; I233-F274 HydrophobicContact CG1-CB 4.46Å; I233-F274 HydrophobicContact CG1-CD1 4.16Å
234	S	98.2	Very high	97.1	Very high	53 Å²	53	58.2 Å²	58.2	37%	0.371	29%	0.288	S	S	.	.	H	α-helix	trans	-60.6	-24.9	-176	74.1	0	0	0	0	114	Q230 K231 L232 F236 L237 H240	Q230-S234 WeakPolarHBondContact O-CB 3.49Å; Q230-S234 PolarHBondContact O-N 3.45Å; K231-S234 PolarHBondContact O-N 3.46Å; K231-S234 VanDerWaalsContact O-N 3.16Å; K231-S234 PolarHBondContact O-OG 3.37Å; L232-S234 VanDerWaalsContact C-N 3.34Å; L232-S234 PolarHBondContact O-N 2.92Å; S234-F236 PolarHBondContact O-N 3.32Å; S234-L237 WeakPolarHBondContact O-CG 3.34Å; S234-L237 PolarHBondContact O-N 3.18Å; S234-H240 PolarHBondContact O-CE1 3.45Å; S234-H240 PolarHBondContact O-ND1 2.72Å; S234-H240 VanDerWaalsContact O-ND1 3.15Å
235	Y	97.1	Very high	97.1	Very high	54 Å²	54	51.2 Å²	51.2	21%	0.212	27%	0.268	C	S	.	.	H	α-helix	trans	-62.5	-31.1	175.6	-155.3	-88.6	0	0	0	112.1	F180 H193 L199 K231 L232 I233 W244	F180-Y235 HydrophobicContact CE1-CE1 4.37Å; F180-Y235 HydrophobicContact CE2-CD1 4.32Å; F180-Y235 HydrophobicContact CE2-CE1 4.08Å; F180-Y235 HydrophobicContact CZ-CD1 4.04Å; F180-Y235 AromaticContact CZ-CE1 3.55Å; F180-Y235 HydrophobicContact CZ-CE1 3.55Å; H193-Y235 WeakPolarHBondContact CB-OH 3.23Å; L199-Y235 HydrophobicContact CD1-CD2 4.13Å; L199-Y235 HydrophobicContact CD1-CG 4.13Å; L199-Y235 HydrophobicContact CD2-CD1 4.01Å; L199-Y235 HydrophobicContact CD2-CD2 4.36Å; L199-Y235 HydrophobicContact CD2-CE1 3.82Å; L199-Y235 HydrophobicContact CD2-CE2 4.17Å; L199-Y235 HydrophobicContact CD2-CG 4.28Å; K231-Y235 PolarHBondContact O-N 2.59Å; L232-Y235 WeakPolarHBondContact O-CB 3.29Å; L232-Y235 PolarHBondContact O-N 3.15Å; I233-Y235 PolarHBondContact O-N 3.07Å; I233-Y235 VanDerWaalsContact O-N 3.09Å; Y235-W244 AromaticContact CD1-CH2 3.84Å; Y235-W244 HydrophobicContact CD1-CH2 3.84Å; Y235-W244 HydrophobicContact CD1-CZ2 4.01Å; Y235-W244 AromaticContact CE1-CH2 3.96Å; Y235-W244 HydrophobicContact CE1-CH2 3.96Å; Y235-W244 AromaticContact CE1-CZ2 3.84Å; Y235-W244 HydrophobicContact CE1-CZ2 3.84Å; Y235-W244 WeakPolarHBondContact O-CH2 3.45Å
236	F	97.9	Very high	96.9	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	19	-175.6	-63.9	-78.6	0	0	0	113.8	F180 Y184 L232 I233 S234 M241 W244 A270 H273 F274 L277	F180-F236 AromaticContact CE2-CE1 3.89Å; F180-F236 HydrophobicContact CE2-CE1 3.89Å; F180-F236 AromaticContact CE2-CZ 3.68Å; F180-F236 HydrophobicContact CE2-CZ 3.68Å; F180-F236 HydrophobicContact CZ-CE1 4.12Å; F180-F236 HydrophobicContact CZ-CZ 4.32Å; Y184-F236 HydrophobicContact CD1-CD1 4.02Å; Y184-F236 AromaticContact CD1-CE1 3.69Å; Y184-F236 HydrophobicContact CD1-CE1 3.69Å; Y184-F236 AromaticContact CD2-CE1 3.75Å; Y184-F236 HydrophobicContact CD2-CE1 3.75Å; Y184-F236 HydrophobicContact CD2-CZ 4.34Å; Y184-F236 AromaticContact CE1-CD1 3.7Å; Y184-F236 HydrophobicContact CE1-CD1 3.7Å; Y184-F236 AromaticContact CE1-CE1 3.51Å; Y184-F236 HydrophobicContact CE1-CE1 3.51Å; Y184-F236 AromaticContact CE2-CE1 3.57Å; Y184-F236 HydrophobicContact CE2-CE1 3.57Å; Y184-F236 HydrophobicContact CE2-CZ 4.02Å; Y184-F236 AromaticContact CG-CE1 3.81Å; Y184-F236 HydrophobicContact CG-CE1 3.81Å; Y184-F236 AromaticContact CZ-CD1 3.99Å; Y184-F236 AromaticContact CZ-CE1 3.46Å; Y184-F236 VanDerWaalsContact CZ-CE1 3.46Å; L232-F236 WeakPolarHBondContact O-CD2 3.35Å; I233-F236 PolarHBondContact O-N 2.79Å; S234-F236 PolarHBondContact O-N 3.32Å; F236-M241 HydrophobicContact CB-SD 3.93Å; F236-M241 HydrophobicContact CD1-SD 4.01Å; F236-M241 HydrophobicContact CG-SD 4.5Å; F236-W244 AromaticContact CD1-CH2 3.92Å; F236-W244 HydrophobicContact CD1-CH2 3.92Å; F236-W244 AromaticContact CD1-CZ3 3.98Å; F236-W244 HydrophobicContact CD1-CZ3 3.98Å; F236-W244 HydrophobicContact CE1-CH2 4.17Å; F236-W244 HydrophobicContact CE1-CZ3 4.14Å; F236-A270 VanDerWaalsContact C-CB 3.46Å; F236-A270 HydrophobicContact CB-CB 4.05Å; F236-A270 WeakPolarHBondContact O-CA 3.48Å; F236-A270 WeakPolarHBondContact O-CB 3.33Å; F236-H273 HydrophobicContact CB-CB 3.82Å; F236-H273 HydrophobicContact CD1-CB 3.84Å; F236-H273 HydrophobicContact CG-CB 3.88Å; F236-F274 HydrophobicContact CD2-CB 4.01Å; F236-F274 HydrophobicContact CE2-CB 4.26Å; F236-F274 HydrophobicContact CE2-CD2 4.41Å; F236-L277 HydrophobicContact CE2-CB 4.35Å; F236-L277 HydrophobicContact CE2-CD2 3.95Å; F236-L277 HydrophobicContact CZ-CB 3.94Å; F236-L277 HydrophobicContact CZ-CD2 3.75Å; F236-L277 HydrophobicContact CZ-CG 4.32Å
237	L	97.9	Very high	96.8	Very high	36 Å²	36	54.9 Å²	54.9	19%	0.188	29%	0.288	C	S	.	.			trans	-58.4	139.8	174	-72.9	169.9	0	0	0	110.2	S234 Q239 H240 M241 A270	S234-L237 WeakPolarHBondContact O-CG 3.34Å; S234-L237 PolarHBondContact O-N 3.18Å; L237-Q239 HydrophobicContact CB-CG 3.98Å; L237-Q239 PolarHBondContact O-N 3.3Å; L237-Q239 VanDerWaalsContact O-N 3.08Å; L237-H240 WeakPolarHBondContact O-CB 3.47Å; L237-H240 PolarHBondContact O-N 2.76Å; L237-M241 PolarHBondContact O-N 2.9Å; L237-A270 HydrophobicContact CD2-CB 4.14Å
238	P	96.5	Very high	96.7	Very high	28 Å²	28	53.1 Å²	53.1	18%	0.182	27%	0.273	C	S	.	.	H	α-helix	trans	-51.5	-36.7	-178	-29.9	36.4	0	0	0	113.7	H240 M241 S242 D266 K269	P238-H240 VanDerWaalsContact C-N 3.26Å; P238-H240 PolarHBondContact O-N 3.07Å; P238-M241 PolarHBondContact O-N 2.77Å; P238-S242 VanDerWaalsContact O-CB 3.31Å; P238-S242 WeakPolarHBondContact O-CB 3.44Å; P238-S242 PolarHBondContact O-N 3.29Å; P238-S242 PolarHBondContact O-OG 2.85Å; P238-S242 VanDerWaalsContact O-OG 3.13Å; P238-D266 HydrophobicContact CG-CB 3.94Å; P238-K269 HydrophobicContact CG-CB 4.36Å; P238-K269 HydrophobicContact CG-CD 4Å
239	Q	95.2	Very high	96.6	Very high	111 Å²	111	55.9 Å²	55.9	52%	0.519	29%	0.285	S	S	.	.	H	α-helix	trans	-61.3	-27.2	175.9	71.3	-159.1	28.6	0	0	114.8	L237 S242 Q243	L237-Q239 HydrophobicContact CB-CG 3.98Å; L237-Q239 PolarHBondContact O-N 3.3Å; L237-Q239 VanDerWaalsContact O-N 3.08Å; Q239-S242 PolarHBondContact O-OG 2.77Å; Q239-Q243 PolarHBondContact O-NE2 3.44Å; Q239-Q243 VanDerWaalsContact O-NE2 3.15Å
240	H	94.7	Very high	96.6	Very high	70 Å²	70	55 Å²	55	32%	0.324	28%	0.282	S	S	.	.	H	α-helix	trans	-86.5	-47.6	173.1	-59	158.1	0	0	0	110.1	S234 L237 P238 S242 Q243 W244	S234-H240 PolarHBondContact O-CE1 3.45Å; S234-H240 PolarHBondContact O-ND1 2.72Å; S234-H240 VanDerWaalsContact O-ND1 3.15Å; L237-H240 WeakPolarHBondContact O-CB 3.47Å; L237-H240 PolarHBondContact O-N 2.76Å; P238-H240 VanDerWaalsContact C-N 3.26Å; P238-H240 PolarHBondContact O-N 3.07Å; H240-S242 VanDerWaalsContact C-N 3.27Å; H240-S242 PolarHBondContact O-N 3.35Å; H240-Q243 WeakPolarHBondContact O-CB 3.29Å; H240-Q243 PolarHBondContact O-N 3.27Å; H240-W244 HydrophobicContact CB-CZ2 4.26Å; H240-W244 PolarHBondContact O-NE1 3.3Å
241	M	95.6	Very high	96.6	Very high	17 Å²	17	49.5 Å²	49.5	8%	0.084	26%	0.257	C	S	.	.	H	α-helix	trans	-61.9	-33.1	-176.8	-68	-167.3	57.2	0	0	113.1	Y184 F236 L237 P238 Q243 W244 I251 H273	Y184-M241 HydrophobicContact CD1-CE 3.78Å; Y184-M241 HydrophobicContact CE1-CE 3.76Å; F236-M241 HydrophobicContact CB-SD 3.93Å; F236-M241 HydrophobicContact CD1-SD 4.01Å; F236-M241 HydrophobicContact CG-SD 4.5Å; L237-M241 PolarHBondContact O-N 2.9Å; P238-M241 PolarHBondContact O-N 2.77Å; M241-Q243 PolarHBondContact O-N 2.96Å; M241-W244 HydrophobicContact CB-CE3 4.25Å; M241-W244 HydrophobicContact CB-CZ3 4.37Å; M241-W244 HydrophobicContact CE-CZ3 4.34Å; M241-W244 HydrophobicContact CG-CE3 3.95Å; M241-W244 HydrophobicContact CG-CH2 3.85Å; M241-W244 HydrophobicContact CG-CZ2 4.46Å; M241-W244 HydrophobicContact CG-CZ3 3.57Å; M241-W244 WeakPolarHBondContact O-CB 3.45Å; M241-W244 PolarHBondContact O-N 3.1Å; M241-W244 HydrophobicContact SD-CZ3 4.36Å; M241-I251 HydrophobicContact CE-CG2 3.77Å; M241-H273 HydrophobicContact SD-CB 4.14Å; M241-H273 VanDerWaalsContact SD-CD2 3.54Å
242	S	94.7	Very high	96.5	Very high	96 Å²	96	50 Å²	50	67%	0.671	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-17	176.5	64	0	0	0	0	113.6	P238 Q239 H240	P238-S242 VanDerWaalsContact O-CB 3.31Å; P238-S242 WeakPolarHBondContact O-CB 3.44Å; P238-S242 PolarHBondContact O-N 3.29Å; P238-S242 PolarHBondContact O-OG 2.85Å; P238-S242 VanDerWaalsContact O-OG 3.13Å; Q239-S242 PolarHBondContact O-OG 2.77Å; H240-S242 VanDerWaalsContact C-N 3.27Å; H240-S242 PolarHBondContact O-N 3.35Å
243	Q	94.1	Very high	96.5	Very high	119 Å²	119	54.6 Å²	54.6	56%	0.556	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	2.6	175.4	-53.1	176.7	7.9	0	0	112.2	V188 Q239 H240 M241	V188-Q243 WeakPolarHBondContact CG2-O 3.5Å; V188-Q243 PolarHBondContact N-O 2.93Å; Q239-Q243 PolarHBondContact O-NE2 3.44Å; Q239-Q243 VanDerWaalsContact O-NE2 3.15Å; H240-Q243 WeakPolarHBondContact O-CB 3.29Å; H240-Q243 PolarHBondContact O-N 3.27Å; M241-Q243 PolarHBondContact O-N 2.96Å
244	W	95.9	Very high	96.3	Very high	25 Å²	25	54.4 Å²	54.4	10%	0.095	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	148.7	177.5	-57.2	-14.3	0	0	0	110.3	F180 Y184 R186 H193 Y235 F236 H240 M241 N247	F180-W244 HydrophobicContact CZ-CH2 4.02Å; F180-W244 HydrophobicContact CZ-CZ3 4.14Å; Y184-W244 HydrophobicContact CD1-CE3 4.32Å; Y184-W244 AromaticContact CD1-CZ3 3.8Å; Y184-W244 HydrophobicContact CD1-CZ3 3.8Å; Y184-W244 HydrophobicContact CG-CZ3 4.09Å; R186-W244 CarbonylContact O-C 3.52Å; R186-W244 VanDerWaalsContact O-CA 3.22Å; R186-W244 WeakPolarHBondContact O-CA 3.47Å; H193-W244 AromaticContact CE1-CD1 3.8Å; H193-W244 AromaticContact CE1-CD2 3.9Å; H193-W244 AromaticContact CE1-CE2 3.65Å; H193-W244 AromaticContact CE1-NE1 3.56Å; Y235-W244 AromaticContact CD1-CH2 3.84Å; Y235-W244 HydrophobicContact CD1-CH2 3.84Å; Y235-W244 HydrophobicContact CD1-CZ2 4.01Å; Y235-W244 AromaticContact CE1-CH2 3.96Å; Y235-W244 HydrophobicContact CE1-CH2 3.96Å; Y235-W244 AromaticContact CE1-CZ2 3.84Å; Y235-W244 HydrophobicContact CE1-CZ2 3.84Å; Y235-W244 WeakPolarHBondContact O-CH2 3.45Å; F236-W244 AromaticContact CD1-CH2 3.92Å; F236-W244 HydrophobicContact CD1-CH2 3.92Å; F236-W244 AromaticContact CD1-CZ3 3.98Å; F236-W244 HydrophobicContact CD1-CZ3 3.98Å; F236-W244 HydrophobicContact CE1-CH2 4.17Å; F236-W244 HydrophobicContact CE1-CZ3 4.14Å; H240-W244 HydrophobicContact CB-CZ2 4.26Å; H240-W244 PolarHBondContact O-NE1 3.3Å; M241-W244 HydrophobicContact CB-CE3 4.25Å; M241-W244 HydrophobicContact CB-CZ3 4.37Å; M241-W244 HydrophobicContact CE-CZ3 4.34Å; M241-W244 HydrophobicContact CG-CE3 3.95Å; M241-W244 HydrophobicContact CG-CH2 3.85Å; M241-W244 HydrophobicContact CG-CZ2 4.46Å; M241-W244 HydrophobicContact CG-CZ3 3.57Å; M241-W244 WeakPolarHBondContact O-CB 3.45Å; M241-W244 PolarHBondContact O-N 3.1Å; M241-W244 HydrophobicContact SD-CZ3 4.36Å; W244-N247 PolarHBondContact O-OD1 3.47Å
245	T	95.3	Very high	96.2	Very high	62 Å²	62	53.5 Å²	53.5	38%	0.38	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	160.2	-179.7	59.2	0	0	0	0	110	G185 R186 V188 N247	G185-T245 CarbonylContact C-O 3.45Å; G185-T245 WeakPolarHBondContact CA-O 3.35Å; R186-T245 PolarHBondContact N-O 3.28Å; R186-T245 PolarHBondContact O-N 2.9Å; V188-T245 HydrophobicContact CG2-CG2 3.95Å; T245-N247 VanDerWaalsContact C-N 3.26Å; T245-N247 PolarHBondContact O-N 3.48Å
246	N	94.8	Very high	96.2	Very high	116 Å²	116	55.4 Å²	55.4	62%	0.62	28%	0.277	S	S	*	.	S	Bend	trans	60.1	29.6	-179.3	-59.4	-23.1	0	0	0	114.7
247	N	94.8	Very high	96.1	Very high	22 Å²	22	55.4 Å²	55.4	12%	0.118	28%	0.277	C	S	.	.			trans	-63.6	142.4	173	-48.2	64.6	0	0	0	110.8	Y184 W244 T245 I251 R252	Y184-N247 PolarHBondContact O-ND2 2.95Å; W244-N247 PolarHBondContact O-OD1 3.47Å; T245-N247 VanDerWaalsContact C-N 3.26Å; T245-N247 PolarHBondContact O-N 3.48Å; N247-I251 HydrophobicContact CB-CG2 4.42Å; N247-R252 HydrophobicContact CB-CG 3.92Å; N247-R252 PolarHBondContact O-NE 3.02Å; N247-R252 VanDerWaalsContact O-NE 3.11Å
248	S	97.4	Very high	96	Very high	11 Å²	11	53.8 Å²	53.8	8%	0.077	27%	0.269	C	S	.	.			trans	-53.4	149.6	174	64.3	0	0	0	0	111.9	I183 F250 I251 R252	I183-S248 WeakPolarHBondContact O-CB 3.46Å; I183-S248 PolarHBondContact O-N 3.3Å; I183-S248 VanDerWaalsContact O-N 3.1Å; I183-S248 PolarHBondContact O-OG 3.34Å; S248-F250 PolarHBondContact O-N 2.86Å; S248-I251 PolarHBondContact O-N 3.45Å; S248-I251 VanDerWaalsContact O-N 3.14Å; S248-I251 WeakPolarHBondContact OG-CG1 3.24Å; S248-I251 PolarHBondContact OG-N 3.09Å; S248-I251 VanDerWaalsContact OG-N 3.16Å; S248-R252 PolarHBondContact O-N 3.33Å
249	Q	97.1	Very high	95.8	Very high	77 Å²	77	57.5 Å²	57.5	36%	0.36	28%	0.284	S	S	.	.	H	α-helix	trans	-54.3	-36.9	174.1	-67	-179.2	21.9	0	0	111.2	H135 R252 R253	H135-Q249 PolarHBondContact ND1-OE1 3.42Å; Q249-R252 PolarHBondContact O-N 3.03Å; Q249-R253 WeakPolarHBondContact O-CB 3.37Å; Q249-R253 PolarHBondContact O-N 3.41Å
250	F	97.6	Very high	95.7	Very high	8 Å²	8	57.7 Å²	57.7	4%	0.035	29%	0.285	C	S	.	.	H	α-helix	trans	-58.5	-51.2	175.5	176.4	-119.8	0	0	0	113	S127 F128 L130 L131 S248 R254 I276	S127-F250 WeakPolarHBondContact O-CD2 3.45Å; F128-F250 AromaticContact CD1-CE2 3.67Å; F128-F250 HydrophobicContact CD1-CE2 3.67Å; F128-F250 AromaticContact CD1-CZ 3.67Å; F128-F250 HydrophobicContact CD1-CZ 3.67Å; F128-F250 HydrophobicContact CE1-CE2 4.05Å; F128-F250 AromaticContact CE1-CZ 3.64Å; F128-F250 HydrophobicContact CE1-CZ 3.64Å; F128-F250 HydrophobicContact CG-CE2 4.42Å; L130-F250 HydrophobicContact CB-CB 4.15Å; L130-F250 HydrophobicContact CB-CD2 4.47Å; L131-F250 HydrophobicContact CD1-CD1 4.41Å; L131-F250 HydrophobicContact CD1-CD2 4.47Å; L131-F250 HydrophobicContact CD1-CE1 4.2Å; L131-F250 HydrophobicContact CD1-CE2 4.28Å; L131-F250 HydrophobicContact CD1-CZ 4.13Å; L131-F250 HydrophobicContact CD2-CB 3.95Å; L131-F250 HydrophobicContact CD2-CD1 3.9Å; L131-F250 HydrophobicContact CD2-CD2 4.39Å; L131-F250 HydrophobicContact CD2-CE1 4.48Å; L131-F250 HydrophobicContact CD2-CG 3.83Å; L131-F250 HydrophobicContact CG-CD1 4.4Å; L131-F250 HydrophobicContact CG-CD2 4.21Å; L131-F250 HydrophobicContact CG-CE2 4.48Å; L131-F250 HydrophobicContact CG-CG 4.16Å; S248-F250 PolarHBondContact O-N 2.86Å; F250-R254 HydrophobicContact CD2-CG 4.44Å; F250-R254 HydrophobicContact CE2-CG 4.2Å; F250-R254 HydrophobicContact CZ-CG 4.49Å; F250-R254 VanDerWaalsContact O-CG 3.29Å; F250-R254 WeakPolarHBondContact O-CG 3.42Å; F250-R254 PolarHBondContact O-N 3.12Å; F250-R254 VanDerWaalsContact O-N 3.08Å; F250-I276 HydrophobicContact CE1-CD1 4.16Å; F250-I276 HydrophobicContact CE1-CG1 4.43Å; F250-I276 HydrophobicContact CE1-CG2 3.79Å; F250-I276 HydrophobicContact CZ-CD1 3.99Å
251	I	97.7	Very high	95.6	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.01	28%	0.276	C	S	.	.	H	α-helix	trans	-68.4	-40	179.3	-69.4	-56.2	0	0	0	111.9	I183 Y184 M241 N247 S248 R253 R254 A255 I276	I183-I251 HydrophobicContact CG2-CD1 3.75Å; I183-I251 HydrophobicContact CG2-CG1 3.4Å; I183-I251 VanDerWaalsContact CG2-CG1 3.4Å; I183-I251 WeakPolarHBondContact O-CG1 3.34Å; Y184-I251 HydrophobicContact CD1-CD1 4.35Å; Y184-I251 HydrophobicContact CD1-CG1 4.18Å; Y184-I251 HydrophobicContact CD1-CG2 3.96Å; Y184-I251 HydrophobicContact CE1-CD1 3.64Å; Y184-I251 HydrophobicContact CE1-CG1 3.97Å; Y184-I251 HydrophobicContact CE1-CG2 4Å; M241-I251 HydrophobicContact CE-CG2 3.77Å; N247-I251 HydrophobicContact CB-CG2 4.42Å; S248-I251 PolarHBondContact O-N 3.45Å; S248-I251 VanDerWaalsContact O-N 3.14Å; S248-I251 WeakPolarHBondContact OG-CG1 3.24Å; S248-I251 PolarHBondContact OG-N 3.09Å; S248-I251 VanDerWaalsContact OG-N 3.16Å; I251-R253 PolarHBondContact O-N 3.27Å; I251-R254 PolarHBondContact O-N 3.12Å; I251-A255 PolarHBondContact O-N 3.05Å; I251-I276 HydrophobicContact CD1-CG2 3.96Å
252	R	96.9	Very high	95.3	Very high	132 Å²	132	63 Å²	63	50%	0.498	32%	0.315	S	S	.	.	H	α-helix	trans	-58	-49.8	175.7	-72.8	-171.2	-79.9	154.2	-4.9	111.4	N247 S248 Q249 R254 A255 E256	N247-R252 HydrophobicContact CB-CG 3.92Å; N247-R252 PolarHBondContact O-NE 3.02Å; N247-R252 VanDerWaalsContact O-NE 3.11Å; S248-R252 PolarHBondContact O-N 3.33Å; Q249-R252 PolarHBondContact O-N 3.03Å; R252-R254 VanDerWaalsContact C-N 3.29Å; R252-R254 PolarHBondContact O-N 2.72Å; R252-A255 PolarHBondContact O-N 3.26Å; R252-E256 WeakPolarHBondContact O-CG 3.41Å; R252-E256 PolarHBondContact O-N 3.46Å
253	R	97.4	Very high	95.2	Very high	98 Å²	98	65.2 Å²	65.2	37%	0.37	31%	0.312	S	S	.	.	H	α-helix	trans	-59.9	-40.6	178	-178.1	56.1	-178.1	167.5	2.6	112	L130 Q249 I251 E256 L257	L130-R253 HydrophobicContact CD1-CB 3.61Å; L130-R253 HydrophobicContact CD1-CG 3.98Å; Q249-R253 WeakPolarHBondContact O-CB 3.37Å; Q249-R253 PolarHBondContact O-N 3.41Å; I251-R253 PolarHBondContact O-N 3.27Å; R253-E256 WeakPolarHBondContact CD-OE2 3.39Å; R253-E256 IonicContact NH1-OE2 3.54Å; R253-E256 PolarHBondContact NH1-OE2 3.3Å; R253-E256 VanDerWaalsContact NH1-OE2 3.12Å; R253-E256 PolarHBondContact O-N 2.75Å; R253-L257 HydrophobicContact CG-CD1 4.35Å; R253-L257 VanDerWaalsContact O-CG 3.22Å; R253-L257 WeakPolarHBondContact O-CG 3.41Å; R253-L257 PolarHBondContact O-N 3.28Å
254	R	96.3	Very high	95.2	Very high	6 Å²	6	59.9 Å²	59.9	2%	0.023	29%	0.287	C	S	.	.	H	α-helix	trans	-65.7	-42.8	177.8	-72.8	177.1	64.7	77.6	-1.3	112.6	F250 I251 R252 L257 F258	F250-R254 HydrophobicContact CD2-CG 4.44Å; F250-R254 HydrophobicContact CE2-CG 4.2Å; F250-R254 HydrophobicContact CZ-CG 4.49Å; F250-R254 VanDerWaalsContact O-CG 3.29Å; F250-R254 WeakPolarHBondContact O-CG 3.42Å; F250-R254 PolarHBondContact O-N 3.12Å; F250-R254 VanDerWaalsContact O-N 3.08Å; I251-R254 PolarHBondContact O-N 3.12Å; R252-R254 VanDerWaalsContact C-N 3.29Å; R252-R254 PolarHBondContact O-N 2.72Å; R254-L257 PolarHBondContact O-N 2.73Å; R254-F258 HydrophobicContact CB-CE2 4.42Å; R254-F258 VanDerWaalsContact O-CD2 3.31Å; R254-F258 WeakPolarHBondContact O-CD2 3.45Å; R254-F258 VanDerWaalsContact O-CG 3.26Å; R254-F258 WeakPolarHBondContact O-CG 3.27Å; R254-F258 PolarHBondContact O-N 2.99Å; R254-F258 VanDerWaalsContact O-N 3.07Å
255	A	96.1	Very high	95.2	Very high	33 Å²	33	65.6 Å²	65.6	27%	0.273	31%	0.313	S	S	.	.	H	α-helix	trans	-60.3	-47.1	176	0	0	0	0	0	110.9	I251 R252 L257 F258 E259	I251-A255 PolarHBondContact O-N 3.05Å; R252-A255 PolarHBondContact O-N 3.26Å; A255-L257 VanDerWaalsContact C-N 3.34Å; A255-L257 PolarHBondContact O-N 3.17Å; A255-F258 PolarHBondContact O-N 3.3Å; A255-F258 VanDerWaalsContact O-N 3.13Å; A255-E259 WeakPolarHBondContact O-CG 3.48Å; A255-E259 PolarHBondContact O-N 3.15Å
256	E	95.9	Very high	95.4	Very high	94 Å²	94	66.2 Å²	66.2	44%	0.439	31%	0.314	S	S	.	.	H	α-helix	trans	-56.1	-45.3	174.8	-69.6	165	-167.8	0	0	112.7	R252 R253 F258 E259 Q260	R252-E256 WeakPolarHBondContact O-CG 3.41Å; R252-E256 PolarHBondContact O-N 3.46Å; R253-E256 WeakPolarHBondContact CD-OE2 3.39Å; R253-E256 IonicContact NH1-OE2 3.54Å; R253-E256 PolarHBondContact NH1-OE2 3.3Å; R253-E256 VanDerWaalsContact NH1-OE2 3.12Å; R253-E256 PolarHBondContact O-N 2.75Å; E256-F258 VanDerWaalsContact C-N 3.27Å; E256-F258 PolarHBondContact O-N 3.03Å; E256-E259 PolarHBondContact O-N 2.94Å; E256-Q260 WeakPolarHBondContact O-CG 3.2Å; E256-Q260 PolarHBondContact O-N 3.12Å
257	L	95.8	Very high	95.5	Very high	1 Å²	1	64 Å²	64	1%	0.005	31%	0.305	C	S	.	.	H	α-helix	trans	-61.3	-38.1	178.7	-73.2	175.1	0	0	0	111.9	Q123 R253 R254 A255 Q261	Q123-L257 HydrophobicContact CB-CD1 4.03Å; Q123-L257 HydrophobicContact CB-CD2 3.88Å; Q123-L257 HydrophobicContact CG-CD2 4.4Å; R253-L257 HydrophobicContact CG-CD1 4.35Å; R253-L257 VanDerWaalsContact O-CG 3.22Å; R253-L257 WeakPolarHBondContact O-CG 3.41Å; R253-L257 PolarHBondContact O-N 3.28Å; R254-L257 PolarHBondContact O-N 2.73Å; A255-L257 VanDerWaalsContact C-N 3.34Å; A255-L257 PolarHBondContact O-N 3.17Å; L257-Q261 WeakPolarHBondContact O-CG 3.34Å
258	F	95.4	Very high	95.6	Very high	1 Å²	1	64.2 Å²	64.2	0%	0.004	31%	0.306	C	S	.	.	H	α-helix	trans	-76.7	-32.7	-179.4	-66	-24.6	0	0	0	113.3	L120 I124 R254 A255 E256 Q260 Q261 L264 K269 H272 H273	L120-F258 HydrophobicContact CD1-CD1 4.33Å; L120-F258 HydrophobicContact CD1-CE1 4.4Å; I124-F258 HydrophobicContact CD1-CE1 3.96Å; I124-F258 HydrophobicContact CD1-CZ 4.43Å; I124-F258 HydrophobicContact CG1-CE1 4.18Å; R254-F258 HydrophobicContact CB-CE2 4.42Å; R254-F258 VanDerWaalsContact O-CD2 3.31Å; R254-F258 WeakPolarHBondContact O-CD2 3.45Å; R254-F258 VanDerWaalsContact O-CG 3.26Å; R254-F258 WeakPolarHBondContact O-CG 3.27Å; R254-F258 PolarHBondContact O-N 2.99Å; R254-F258 VanDerWaalsContact O-N 3.07Å; A255-F258 PolarHBondContact O-N 3.3Å; A255-F258 VanDerWaalsContact O-N 3.13Å; E256-F258 VanDerWaalsContact C-N 3.27Å; E256-F258 PolarHBondContact O-N 3.03Å; F258-Q260 PolarHBondContact O-N 3.13Å; F258-Q261 PolarHBondContact O-N 3.34Å; F258-Q261 VanDerWaalsContact O-N 3.16Å; F258-L264 HydrophobicContact CB-CD2 3.95Å; F258-L264 HydrophobicContact CD1-CD2 3.64Å; F258-L264 HydrophobicContact CE1-CD2 4.33Å; F258-L264 HydrophobicContact CG-CD2 3.88Å; F258-K269 HydrophobicContact CB-CB 4.44Å; F258-K269 HydrophobicContact CB-CD 4.13Å; F258-K269 HydrophobicContact CB-CG 3.97Å; F258-K269 HydrophobicContact CD2-CB 4.39Å; F258-K269 WeakPolarHBondContact O-CE 3.45Å; F258-H272 HydrophobicContact CE2-CB 3.53Å; F258-H272 HydrophobicContact CZ-CB 3.58Å; F258-H272 AromaticContact CZ-CG 3.68Å; F258-H273 AromaticContact CD2-NE2 3.84Å; F258-H273 AromaticContact CE2-NE2 4Å
259	E	93.4	Very high	95.6	Very high	107 Å²	107	64.4 Å²	64.4	50%	0.5	31%	0.305	S	S	.	.	H	α-helix	trans	-66.3	-23.8	172.9	-69.3	-49	130.8	0	0	112.8	A255 E256 Q261 K269	A255-E259 WeakPolarHBondContact O-CG 3.48Å; A255-E259 PolarHBondContact O-N 3.15Å; E256-E259 PolarHBondContact O-N 2.94Å; E259-Q261 PolarHBondContact O-N 2.94Å; E259-K269 WeakPolarHBondContact OE1-CD 3.45Å; E259-K269 WeakPolarHBondContact OE1-CE 3.48Å; E259-K269 IonicContact OE1-NZ 2.79Å; E259-K269 PolarHBondContact OE1-NZ 2.89Å; E259-K269 IonicContact OE2-NZ 3.02Å; E259-K269 PolarHBondContact OE2-NZ 3.37Å
260	Q	92.9	Very high	95.7	Very high	114 Å²	114	60.7 Å²	60.7	53%	0.533	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	2.3	174.7	-66.5	170.3	11.4	0	0	113.7	E256 F258	E256-Q260 WeakPolarHBondContact O-CG 3.2Å; E256-Q260 PolarHBondContact O-N 3.12Å; F258-Q260 PolarHBondContact O-N 3.13Å
261	Q	93.3	Very high	95.7	Very high	32 Å²	32	60.3 Å²	60.3	15%	0.15	29%	0.286	C	S	.	.			trans	-115.2	90.1	-175.5	-55.6	-60.4	-52.8	0	0	111.2	L120 L257 F258 E259 K263 L264	L120-Q261 HydrophobicContact CD1-CG 4.04Å; L120-Q261 HydrophobicContact CD2-CG 4.1Å; L257-Q261 WeakPolarHBondContact O-CG 3.34Å; F258-Q261 PolarHBondContact O-N 3.34Å; F258-Q261 VanDerWaalsContact O-N 3.16Å; E259-Q261 PolarHBondContact O-N 2.94Å; Q261-K263 PolarHBondContact O-N 3.15Å; Q261-L264 HydrophobicContact CB-CB 3.84Å; Q261-L264 WeakPolarHBondContact O-CB 3.33Å; Q261-L264 PolarHBondContact O-N 3.49Å
262	D	88.6	Confident	95.7	Very high	166 Å²	166	60.6 Å²	60.6	89%	0.888	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-28.3	-177.4	-61	-24	0	0	0	114.5
263	K	92.7	Very high	95.7	Very high	144 Å²	144	54.6 Å²	54.6	63%	0.626	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-11.8	-179	-65.9	-179.4	-176.1	172.8	0	113.7	T116 F117 Q261	T116-K263 HydrophobicContact CG2-CD 4.2Å; F117-K263 HydrophobicContact CE1-CB 3.76Å; F117-K263 HydrophobicContact CZ-CB 4.44Å; Q261-K263 PolarHBondContact O-N 3.15Å
264	L	94.1	Very high	95.8	Very high	6 Å²	6	49.9 Å²	49.9	3%	0.031	25%	0.247	C	C	.	.	S	Bend	trans	-89.9	112.6	-177.8	-166.5	66.9	0	0	0	108.9	P110 F117 F258 Q261 D268 K269	P110-L264 HydrophobicContact CG-CD1 3.98Å; F117-L264 HydrophobicContact CE1-CB 4.05Å; F117-L264 HydrophobicContact CE1-CD1 4.21Å; F117-L264 HydrophobicContact CZ-CD1 4.02Å; F258-L264 HydrophobicContact CB-CD2 3.95Å; F258-L264 HydrophobicContact CD1-CD2 3.64Å; F258-L264 HydrophobicContact CE1-CD2 4.33Å; F258-L264 HydrophobicContact CG-CD2 3.88Å; Q261-L264 HydrophobicContact CB-CB 3.84Å; Q261-L264 WeakPolarHBondContact O-CB 3.33Å; Q261-L264 PolarHBondContact O-N 3.49Å; L264-D268 HydrophobicContact CD1-CB 3.45Å; L264-D268 VanDerWaalsContact CD1-CB 3.45Å; L264-D268 HydrophobicContact CG-CB 3.94Å; L264-K269 HydrophobicContact CD2-CG 3.83Å; L264-K269 HydrophobicContact CG-CG 3.93Å; L264-K269 WeakPolarHBondContact O-CE 3.41Å
265	K	96.4	Very high	95.8	Very high	146 Å²	146	50.2 Å²	50.2	64%	0.635	25%	0.251	S	S	*	.			trans	-72.8	156.2	-177.7	-58.1	176.6	-177.6	177.5	0	110.1	V267 D268 K269	K265-V267 HydrophobicContact CB-CG1 4.1Å; K265-V267 PolarHBondContact O-N 2.83Å; K265-V267 VanDerWaalsContact O-N 3.13Å; K265-D268 VanDerWaalsContact CB-OD2 3.32Å; K265-D268 WeakPolarHBondContact CB-OD2 3.08Å; K265-D268 PolarHBondContact N-OD2 3.46Å; K265-D268 WeakPolarHBondContact O-CA 3.48Å; K265-D268 VanDerWaalsContact O-CB 3.25Å; K265-D268 WeakPolarHBondContact O-CB 3.34Å; K265-D268 PolarHBondContact O-N 3.28Å; K265-K269 WeakPolarHBondContact O-CG 3.47Å; K265-K269 PolarHBondContact O-N 2.89Å
266	D	97.7	Very high	95.9	Very high	74 Å²	74	49.5 Å²	49.5	40%	0.396	24%	0.243	S	C	.	.	H	α-helix	trans	-55.1	-36.1	178.2	-72.3	-9.2	0	0	0	113.7	P238 D268 K269 A270	P238-D266 HydrophobicContact CG-CB 3.94Å; D266-D268 VanDerWaalsContact C-N 3.32Å; D266-D268 PolarHBondContact O-N 3.09Å; D266-K269 PolarHBondContact O-N 3.31Å; D266-K269 IonicContact OD1-NZ 3.46Å; D266-K269 PolarHBondContact OD1-NZ 3.5Å; D266-A270 VanDerWaalsContact O-CB 3.29Å; D266-A270 WeakPolarHBondContact O-CB 3.41Å; D266-A270 PolarHBondContact O-N 3.44Å
267	V	98.1	Very high	96	Very high	71 Å²	71	45 Å²	45	43%	0.43	22%	0.222	S	C	.	.	H	α-helix	trans	-66.1	-33.1	173.7	68.4	0	0	0	0	112.6	I233 K265 A271	I233-V267 HydrophobicContact CG2-CG2 3.76Å; K265-V267 HydrophobicContact CB-CG1 4.1Å; K265-V267 PolarHBondContact O-N 2.83Å; K265-V267 VanDerWaalsContact O-N 3.13Å; V267-A271 VanDerWaalsContact O-CB 3.31Å; V267-A271 WeakPolarHBondContact O-CB 3.33Å; V267-A271 PolarHBondContact O-N 2.99Å
268	D	97.2	Very high	96.2	Very high	25 Å²	25	46.4 Å²	46.4	13%	0.134	23%	0.227	C	C	.	.	H	α-helix	trans	-71.7	-43.2	177	-56.9	-37.5	0	0	0	110.3	P110 L264 K265 D266 A270 A271 H272	P110-D268 WeakPolarHBondContact CD-OD1 3.39Å; P110-D268 HydrophobicContact CG-CB 4.38Å; L264-D268 HydrophobicContact CD1-CB 3.45Å; L264-D268 VanDerWaalsContact CD1-CB 3.45Å; L264-D268 HydrophobicContact CG-CB 3.94Å; K265-D268 VanDerWaalsContact CB-OD2 3.32Å; K265-D268 WeakPolarHBondContact CB-OD2 3.08Å; K265-D268 PolarHBondContact N-OD2 3.46Å; K265-D268 WeakPolarHBondContact O-CA 3.48Å; K265-D268 VanDerWaalsContact O-CB 3.25Å; K265-D268 WeakPolarHBondContact O-CB 3.34Å; K265-D268 PolarHBondContact O-N 3.28Å; D266-D268 VanDerWaalsContact C-N 3.32Å; D266-D268 PolarHBondContact O-N 3.09Å; D268-A270 VanDerWaalsContact C-N 3.33Å; D268-A270 PolarHBondContact O-N 3.5Å; D268-A271 PolarHBondContact O-N 3.19Å; D268-H272 PolarHBondContact O-CD2 2.9Å; D268-H272 VanDerWaalsContact O-CD2 3.3Å; D268-H272 PolarHBondContact O-N 3.46Å
269	K	97.4	Very high	96.2	Very high	15 Å²	15	49.1 Å²	49.1	7%	0.065	25%	0.249	C	C	.	.	H	α-helix	trans	-57.3	-48.1	173.2	-55.2	-179.8	-173	161.9	0	110.5	P238 F258 E259 L264 K265 D266 A271 H272 H273	P238-K269 HydrophobicContact CG-CB 4.36Å; P238-K269 HydrophobicContact CG-CD 4Å; F258-K269 HydrophobicContact CB-CB 4.44Å; F258-K269 HydrophobicContact CB-CD 4.13Å; F258-K269 HydrophobicContact CB-CG 3.97Å; F258-K269 HydrophobicContact CD2-CB 4.39Å; F258-K269 WeakPolarHBondContact O-CE 3.45Å; E259-K269 WeakPolarHBondContact OE1-CD 3.45Å; E259-K269 WeakPolarHBondContact OE1-CE 3.48Å; E259-K269 IonicContact OE1-NZ 2.79Å; E259-K269 PolarHBondContact OE1-NZ 2.89Å; E259-K269 IonicContact OE2-NZ 3.02Å; E259-K269 PolarHBondContact OE2-NZ 3.37Å; L264-K269 HydrophobicContact CD2-CG 3.83Å; L264-K269 HydrophobicContact CG-CG 3.93Å; L264-K269 WeakPolarHBondContact O-CE 3.41Å; K265-K269 WeakPolarHBondContact O-CG 3.47Å; K265-K269 PolarHBondContact O-N 2.89Å; D266-K269 PolarHBondContact O-N 3.31Å; D266-K269 IonicContact OD1-NZ 3.46Å; D266-K269 PolarHBondContact OD1-NZ 3.5Å; K269-A271 VanDerWaalsContact C-N 3.35Å; K269-A271 PolarHBondContact O-N 2.98Å; K269-H272 WeakPolarHBondContact O-CB 3.4Å; K269-H272 PolarHBondContact O-N 2.85Å; K269-H273 PolarHBondContact O-CD2 3.38Å; K269-H273 PolarHBondContact O-N 3.16Å; K269-H273 VanDerWaalsContact O-N 3.16Å
270	A	98.5	Very high	96.4	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-62.1	-40.5	177.9	0	0	0	0	0	112.4	I233 F236 L237 D266 D268 H272 H273 F274	I233-A270 HydrophobicContact CG2-CB 3.76Å; I233-A270 WeakPolarHBondContact O-CB 3.45Å; F236-A270 VanDerWaalsContact C-CB 3.46Å; F236-A270 HydrophobicContact CB-CB 4.05Å; F236-A270 WeakPolarHBondContact O-CA 3.48Å; F236-A270 WeakPolarHBondContact O-CB 3.33Å; L237-A270 HydrophobicContact CD2-CB 4.14Å; D266-A270 VanDerWaalsContact O-CB 3.29Å; D266-A270 WeakPolarHBondContact O-CB 3.41Å; D266-A270 PolarHBondContact O-N 3.44Å; D268-A270 VanDerWaalsContact C-N 3.33Å; D268-A270 PolarHBondContact O-N 3.5Å; A270-H272 VanDerWaalsContact C-N 3.35Å; A270-H272 PolarHBondContact O-N 3.15Å; A270-H273 PolarHBondContact O-N 3.03Å; A270-H273 VanDerWaalsContact O-N 3.13Å; A270-F274 PolarHBondContact O-N 2.78Å
271	A	98.4	Very high	96.7	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-65.3	-35.9	175.8	0	0	0	0	0	112.8	Y109 I233 V267 D268 K269 H273 F274 A275	Y109-A271 HydrophobicContact CD1-CB 4.13Å; I233-A271 HydrophobicContact CD1-CB 3.94Å; I233-A271 HydrophobicContact CG1-CB 3.95Å; I233-A271 HydrophobicContact CG2-CB 4.2Å; V267-A271 VanDerWaalsContact O-CB 3.31Å; V267-A271 WeakPolarHBondContact O-CB 3.33Å; V267-A271 PolarHBondContact O-N 2.99Å; D268-A271 PolarHBondContact O-N 3.19Å; K269-A271 VanDerWaalsContact C-N 3.35Å; K269-A271 PolarHBondContact O-N 2.98Å; A271-H273 VanDerWaalsContact C-N 3.31Å; A271-H273 PolarHBondContact O-N 2.74Å; A271-F274 PolarHBondContact O-N 3.29Å; A271-A275 PolarHBondContact O-N 3.12Å
272	H	96.9	Very high	96.8	Very high	7 Å²	7	38 Å²	38	3%	0.032	20%	0.2	C	C	.	.	H	α-helix	trans	-63.2	-34.9	170.4	-85.2	-70.2	0	0	0	113.1	Y109 F258 D268 K269 A270 I276	Y109-H272 AromaticContact CD2-CE1 3.24Å; Y109-H272 WeakPolarHBondContact CD2-CE1 3.49Å; Y109-H272 AromaticContact CD2-ND1 3.83Å; Y109-H272 AromaticContact CD2-NE2 3.42Å; Y109-H272 WeakPolarHBondContact CD2-NE2 3.15Å; Y109-H272 AromaticContact CE1-ND1 3.93Å; Y109-H272 AromaticContact CE2-CE1 3.26Å; Y109-H272 WeakPolarHBondContact CE2-CE1 3.3Å; Y109-H272 AromaticContact CE2-ND1 3.73Å; Y109-H272 AromaticContact CE2-NE2 3.94Å; Y109-H272 AromaticContact CG-CD2 3.98Å; Y109-H272 AromaticContact CG-CE1 3.78Å; Y109-H272 AromaticContact CG-NE2 3.77Å; Y109-H272 AromaticContact CZ-CE1 3.81Å; Y109-H272 AromaticContact CZ-ND1 3.8Å; F258-H272 HydrophobicContact CE2-CB 3.53Å; F258-H272 HydrophobicContact CZ-CB 3.58Å; F258-H272 AromaticContact CZ-CG 3.68Å; D268-H272 PolarHBondContact O-CD2 2.9Å; D268-H272 VanDerWaalsContact O-CD2 3.3Å; D268-H272 PolarHBondContact O-N 3.46Å; K269-H272 WeakPolarHBondContact O-CB 3.4Å; K269-H272 PolarHBondContact O-N 2.85Å; A270-H272 VanDerWaalsContact C-N 3.35Å; A270-H272 PolarHBondContact O-N 3.15Å; H272-I276 WeakPolarHBondContact O-CG1 3.4Å; H272-I276 PolarHBondContact O-N 3.12Å
273	H	98.1	Very high	97.3	Very high	6 Å²	6	32.3 Å²	32.3	3%	0.028	17%	0.169	C	C	.	.	H	α-helix	trans	-73.5	-41.4	175	-75.1	-64.9	0	0	0	111.8	Y184 F236 M241 F258 K269 A270 A271 A275 I276 L277	Y184-H273 HydrophobicContact CE1-CB 4Å; Y184-H273 AromaticContact CE1-ND1 3.69Å; Y184-H273 VanDerWaalsContact OH-C 3.25Å; Y184-H273 WeakPolarHBondContact OH-CA 3.25Å; Y184-H273 WeakPolarHBondContact OH-CB 3.48Å; Y184-H273 PolarHBondContact OH-O 3.24Å; F236-H273 HydrophobicContact CB-CB 3.82Å; F236-H273 HydrophobicContact CD1-CB 3.84Å; F236-H273 HydrophobicContact CG-CB 3.88Å; M241-H273 HydrophobicContact SD-CB 4.14Å; M241-H273 VanDerWaalsContact SD-CD2 3.54Å; F258-H273 AromaticContact CD2-NE2 3.84Å; F258-H273 AromaticContact CE2-NE2 4Å; K269-H273 PolarHBondContact O-CD2 3.38Å; K269-H273 PolarHBondContact O-N 3.16Å; K269-H273 VanDerWaalsContact O-N 3.16Å; A270-H273 PolarHBondContact O-N 3.03Å; A270-H273 VanDerWaalsContact O-N 3.13Å; A271-H273 VanDerWaalsContact C-N 3.31Å; A271-H273 PolarHBondContact O-N 2.74Å; H273-A275 VanDerWaalsContact C-N 3.26Å; H273-A275 PolarHBondContact O-N 3.38Å; H273-I276 WeakPolarHBondContact O-CA 3.43Å; H273-I276 WeakPolarHBondContact O-CB 3.23Å; H273-I276 PolarHBondContact O-N 3Å; H273-L277 PolarHBondContact O-N 3.07Å
274	F	98.5	Very high	97.6	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-57.2	-40.6	171.9	173.2	-128.1	0	0	0	112.2	F107 F203 F206 R229 L232 I233 F236 A270 A271 I276 L277 W278	F107-F274 AromaticContact CD1-CD1 3.77Å; F107-F274 HydrophobicContact CD1-CD1 3.77Å; F107-F274 AromaticContact CD1-CE1 3.73Å; F107-F274 HydrophobicContact CD1-CE1 3.73Å; F107-F274 HydrophobicContact CE1-CD1 4.43Å; F107-F274 HydrophobicContact CE1-CE1 4.13Å; F203-F274 HydrophobicContact CD2-CE2 4.29Å; F206-F274 HydrophobicContact CD1-CE1 4.1Å; F206-F274 AromaticContact CD1-CZ 3.53Å; F206-F274 HydrophobicContact CD1-CZ 3.53Å; F206-F274 HydrophobicContact CD2-CE1 4.33Å; F206-F274 HydrophobicContact CD2-CZ 4.29Å; F206-F274 AromaticContact CE1-CE1 3.8Å; F206-F274 HydrophobicContact CE1-CE1 3.8Å; F206-F274 AromaticContact CE1-CZ 3.63Å; F206-F274 HydrophobicContact CE1-CZ 3.63Å; F206-F274 HydrophobicContact CE2-CE1 4.06Å; F206-F274 HydrophobicContact CE2-CZ 4.39Å; F206-F274 HydrophobicContact CG-CE1 4.34Å; F206-F274 AromaticContact CG-CZ 3.86Å; F206-F274 HydrophobicContact CG-CZ 3.86Å; F206-F274 AromaticContact CZ-CE1 3.78Å; F206-F274 HydrophobicContact CZ-CE1 3.78Å; F206-F274 HydrophobicContact CZ-CZ 4.08Å; R229-F274 HydrophobicContact CG-CE1 4.22Å; L232-F274 HydrophobicContact CB-CD1 4.27Å; L232-F274 HydrophobicContact CB-CD2 3.76Å; L232-F274 HydrophobicContact CB-CE1 4.15Å; L232-F274 HydrophobicContact CB-CE2 3.64Å; L232-F274 HydrophobicContact CB-CG 4.1Å; L232-F274 HydrophobicContact CB-CZ 3.84Å; L232-F274 HydrophobicContact CD1-CD2 4.48Å; L232-F274 HydrophobicContact CD1-CE1 4.18Å; L232-F274 HydrophobicContact CD1-CE2 3.52Å; L232-F274 HydrophobicContact CD1-CZ 3.33Å; L232-F274 HydrophobicContact CD2-CE2 4.3Å; L232-F274 HydrophobicContact CG-CE2 4.01Å; L232-F274 HydrophobicContact CG-CZ 4.16Å; I233-F274 HydrophobicContact CG1-CB 4.46Å; I233-F274 HydrophobicContact CG1-CD1 4.16Å; F236-F274 HydrophobicContact CD2-CB 4.01Å; F236-F274 HydrophobicContact CE2-CB 4.26Å; F236-F274 HydrophobicContact CE2-CD2 4.41Å; A270-F274 PolarHBondContact O-N 2.78Å; A271-F274 PolarHBondContact O-N 3.29Å; F274-I276 VanDerWaalsContact C-N 3.28Å; F274-I276 PolarHBondContact O-N 2.85Å; F274-L277 WeakPolarHBondContact O-CB 3.3Å; F274-L277 PolarHBondContact O-N 3.15Å; F274-W278 PolarHBondContact O-N 3.43Å
275	A	97.5	Very high	97.8	Very high	13 Å²	13	25.7 Å²	25.7	11%	0.107	14%	0.142	C	C	.	.	H	α-helix	trans	-60.3	-36.5	174.3	0	0	0	0	0	113.1	F107 Y109 A271 H273 W278 A279	F107-A275 HydrophobicContact CB-CB 4.08Å; F107-A275 HydrophobicContact CD1-CB 3.83Å; F107-A275 HydrophobicContact CD2-CB 3.65Å; F107-A275 HydrophobicContact CE1-CB 4.15Å; F107-A275 HydrophobicContact CE2-CB 3.97Å; F107-A275 HydrophobicContact CG-CB 3.57Å; F107-A275 HydrophobicContact CZ-CB 4.2Å; Y109-A275 HydrophobicContact CE1-CB 3.97Å; A271-A275 PolarHBondContact O-N 3.12Å; H273-A275 VanDerWaalsContact C-N 3.26Å; H273-A275 PolarHBondContact O-N 3.38Å; A275-W278 PolarHBondContact O-N 2.96Å; A275-A279 WeakPolarHBondContact O-CB 3.34Å; A275-A279 PolarHBondContact O-N 3.26Å
276	I	97.8	Very high	97.9	Very high	18 Å²	18	18.8 Å²	18.8	9%	0.092	11%	0.112	C	C	.	.	H	α-helix	trans	-70.1	-39.7	174.8	-68	-58.4	0	0	0	111.8	F128 I183 F250 I251 H272 H273 F274 W278 A279 S280	F128-I276 HydrophobicContact CE1-CD1 4.23Å; I183-I276 HydrophobicContact CG2-CG2 4.48Å; F250-I276 HydrophobicContact CE1-CD1 4.16Å; F250-I276 HydrophobicContact CE1-CG1 4.43Å; F250-I276 HydrophobicContact CE1-CG2 3.79Å; F250-I276 HydrophobicContact CZ-CD1 3.99Å; I251-I276 HydrophobicContact CD1-CG2 3.96Å; H272-I276 WeakPolarHBondContact O-CG1 3.4Å; H272-I276 PolarHBondContact O-N 3.12Å; H273-I276 WeakPolarHBondContact O-CA 3.43Å; H273-I276 WeakPolarHBondContact O-CB 3.23Å; H273-I276 PolarHBondContact O-N 3Å; F274-I276 VanDerWaalsContact C-N 3.28Å; F274-I276 PolarHBondContact O-N 2.85Å; I276-W278 VanDerWaalsContact C-N 3.3Å; I276-W278 PolarHBondContact O-N 3.42Å; I276-A279 PolarHBondContact O-N 3.38Å; I276-S280 WeakPolarHBondContact O-CB 3.38Å; I276-S280 PolarHBondContact O-N 3.17Å; I276-S280 PolarHBondContact O-OG 2.69Å
277	L	98.4	Very high	97.9	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-58	-47.7	173.1	177	67.9	0	0	0	110.1	F176 F180 Y184 F203 F236 H273 F274 A279 S280 V281	F176-L277 HydrophobicContact CZ-CD2 4.15Å; F180-L277 HydrophobicContact CD2-CD1 3.84Å; F180-L277 HydrophobicContact CD2-CD2 4.49Å; F180-L277 HydrophobicContact CE2-CD1 4.49Å; Y184-L277 HydrophobicContact CE2-CB 4.16Å; Y184-L277 HydrophobicContact CE2-CD1 4.5Å; F203-L277 HydrophobicContact CD2-CD2 4.44Å; F236-L277 HydrophobicContact CE2-CB 4.35Å; F236-L277 HydrophobicContact CE2-CD2 3.95Å; F236-L277 HydrophobicContact CZ-CB 3.94Å; F236-L277 HydrophobicContact CZ-CD2 3.75Å; F236-L277 HydrophobicContact CZ-CG 4.32Å; H273-L277 PolarHBondContact O-N 3.07Å; F274-L277 WeakPolarHBondContact O-CB 3.3Å; F274-L277 PolarHBondContact O-N 3.15Å; L277-A279 VanDerWaalsContact C-N 3.33Å; L277-A279 PolarHBondContact O-N 3.44Å; L277-S280 PolarHBondContact O-N 3.46Å; L277-S280 VanDerWaalsContact O-N 3.17Å; L277-S280 PolarHBondContact O-OG 2.85Å; L277-V281 HydrophobicContact CD1-CG1 4.4Å; L277-V281 HydrophobicContact CD1-CG2 4.29Å; L277-V281 HydrophobicContact CG-CG2 4.34Å; L277-V281 WeakPolarHBondContact O-CG2 3.47Å; L277-V281 PolarHBondContact O-N 3.27Å
278	W	98.1	Very high	98	Very high	29 Å²	29	12.1 Å²	12.1	11%	0.11	7%	0.074	C	C	.	.	H	α-helix	trans	-59.5	-44.2	176.7	-175.1	93.2	0	0	0	112.5	F107 F203 D207 F210 F274 A275 I276 S280 G282	F107-W278 HydrophobicContact CE1-CB 3.67Å; F107-W278 HydrophobicContact CE1-CD2 4.42Å; F107-W278 AromaticContact CE1-CG 3.88Å; F107-W278 HydrophobicContact CE1-CG 3.88Å; F107-W278 HydrophobicContact CZ-CB 3.86Å; F107-W278 AromaticContact CZ-CD2 3.87Å; F107-W278 HydrophobicContact CZ-CD2 3.87Å; F107-W278 AromaticContact CZ-CE3 3.94Å; F107-W278 HydrophobicContact CZ-CE3 3.94Å; F107-W278 AromaticContact CZ-CG 3.81Å; F107-W278 HydrophobicContact CZ-CG 3.81Å; F203-W278 HydrophobicContact CE2-CB 3.92Å; F203-W278 AromaticContact CE2-CD1 3.56Å; F203-W278 HydrophobicContact CE2-CG 4.06Å; F203-W278 AromaticContact CZ-CD1 3.71Å; F203-W278 HydrophobicContact CZ-CG 4.32Å; D207-W278 PolarHBondContact OD1-NE1 3.44Å; F210-W278 HydrophobicContact CD1-CH2 4.01Å; F210-W278 AromaticContact CD1-CZ2 3.42Å; F210-W278 HydrophobicContact CD1-CZ2 3.42Å; F210-W278 VanDerWaalsContact CD1-CZ2 3.42Å; F210-W278 HydrophobicContact CD2-CD2 4.36Å; F210-W278 AromaticContact CD2-CE2 3.63Å; F210-W278 AromaticContact CD2-CZ2 3.87Å; F210-W278 HydrophobicContact CD2-CZ2 3.87Å; F210-W278 AromaticContact CD2-NE1 3.49Å; F210-W278 AromaticContact CE1-CE2 3.9Å; F210-W278 AromaticContact CE1-CH2 3.32Å; F210-W278 HydrophobicContact CE1-CH2 3.32Å; F210-W278 AromaticContact CE1-CZ2 3.19Å; F210-W278 HydrophobicContact CE1-CZ2 3.19Å; F210-W278 HydrophobicContact CE1-CZ3 4.11Å; F210-W278 AromaticContact CE2-CD2 3.8Å; F210-W278 HydrophobicContact CE2-CD2 3.8Å; F210-W278 AromaticContact CE2-CE2 3.44Å; F210-W278 VanDerWaalsContact CE2-CE2 3.44Å; F210-W278 HydrophobicContact CE2-CE3 4.28Å; F210-W278 HydrophobicContact CE2-CG 4.32Å; F210-W278 HydrophobicContact CE2-CH2 4.19Å; F210-W278 AromaticContact CE2-CZ2 3.68Å; F210-W278 HydrophobicContact CE2-CZ2 3.68Å; F210-W278 HydrophobicContact CE2-CZ3 4.46Å; F210-W278 AromaticContact CE2-NE1 3.71Å; F210-W278 AromaticContact CG-CE2 3.94Å; F210-W278 AromaticContact CG-CZ2 3.75Å; F210-W278 HydrophobicContact CG-CZ2 3.75Å; F210-W278 AromaticContact CG-NE1 3.91Å; F210-W278 AromaticContact CZ-CD2 3.95Å; F210-W278 HydrophobicContact CZ-CD2 3.95Å; F210-W278 AromaticContact CZ-CE2 3.58Å; F210-W278 HydrophobicContact CZ-CE3 4.01Å; F210-W278 AromaticContact CZ-CH2 3.43Å; F210-W278 HydrophobicContact CZ-CH2 3.43Å; F210-W278 VanDerWaalsContact CZ-CH2 3.43Å; F210-W278 AromaticContact CZ-CZ2 3.33Å; F210-W278 HydrophobicContact CZ-CZ2 3.33Å; F210-W278 AromaticContact CZ-CZ3 3.77Å; F210-W278 HydrophobicContact CZ-CZ3 3.77Å; F274-W278 PolarHBondContact O-N 3.43Å; A275-W278 PolarHBondContact O-N 2.96Å; I276-W278 VanDerWaalsContact C-N 3.3Å; I276-W278 PolarHBondContact O-N 3.42Å; W278-S280 VanDerWaalsContact C-N 3.28Å; W278-S280 PolarHBondContact O-N 3.03Å; W278-G282 WeakPolarHBondContact O-CA 3.36Å; W278-G282 PolarHBondContact O-N 3.33Å
279	A	96.4	Very high	98	Very high	58 Å²	58	11 Å²	11	48%	0.479	7%	0.068	S	C	.	.	H	α-helix	trans	-63.7	-32.5	177.4	0	0	0	0	0	113	A275 I276 L277	A275-A279 WeakPolarHBondContact O-CB 3.34Å; A275-A279 PolarHBondContact O-N 3.26Å; I276-A279 PolarHBondContact O-N 3.38Å; L277-A279 VanDerWaalsContact C-N 3.33Å; L277-A279 PolarHBondContact O-N 3.44Å
280	S	97.8	Very high	98.1	Very high	17 Å²	17	10.4 Å²	10.4	12%	0.119	7%	0.065	C	C	.	.	H	α-helix	trans	-81.1	-33.9	-178.1	63.5	0	0	0	0	113.9	I183 I276 L277 W278 T284	I183-S280 WeakPolarHBondContact CD1-OG 3.37Å; I276-S280 WeakPolarHBondContact O-CB 3.38Å; I276-S280 PolarHBondContact O-N 3.17Å; I276-S280 PolarHBondContact O-OG 2.69Å; L277-S280 PolarHBondContact O-N 3.46Å; L277-S280 VanDerWaalsContact O-N 3.17Å; L277-S280 PolarHBondContact O-OG 2.85Å; W278-S280 VanDerWaalsContact C-N 3.28Å; W278-S280 PolarHBondContact O-N 3.03Å; S280-T284 WeakPolarHBondContact O-CB 3.46Å; S280-T284 PolarHBondContact O-OG1 3.07Å
281	V	98.1	Very high	98.1	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-108.1	-27.7	-176.2	-63.6	0	0	0	0	113.8	F176 T179 F203 L277 N283 T284 L285	F176-V281 HydrophobicContact CD2-CB 4.24Å; F176-V281 HydrophobicContact CD2-CG1 4.22Å; F176-V281 HydrophobicContact CD2-CG2 3.92Å; F176-V281 HydrophobicContact CE2-CG2 3.88Å; T179-V281 HydrophobicContact CG2-CG1 3.81Å; F203-V281 HydrophobicContact CD1-CG2 4.38Å; F203-V281 HydrophobicContact CD2-CG2 4.37Å; F203-V281 HydrophobicContact CE1-CG2 3.77Å; F203-V281 HydrophobicContact CE2-CG2 3.78Å; F203-V281 HydrophobicContact CZ-CG2 3.44Å; F203-V281 VanDerWaalsContact CZ-CG2 3.44Å; L277-V281 HydrophobicContact CD1-CG1 4.4Å; L277-V281 HydrophobicContact CD1-CG2 4.29Å; L277-V281 HydrophobicContact CG-CG2 4.34Å; L277-V281 WeakPolarHBondContact O-CG2 3.47Å; L277-V281 PolarHBondContact O-N 3.27Å; V281-N283 PolarHBondContact O-N 3.41Å; V281-T284 PolarHBondContact O-N 2.9Å; V281-L285 HydrophobicContact CB-CD1 4.32Å; V281-L285 HydrophobicContact CB-CD2 4.32Å; V281-L285 HydrophobicContact CB-CG 4.06Å; V281-L285 VanDerWaalsContact O-CG 3.3Å; V281-L285 WeakPolarHBondContact O-CG 3.25Å; V281-L285 PolarHBondContact O-N 3.01Å
282	G	96.8	Very high	98.1	Very high	2 Å²	2	10.5 Å²	10.5	2%	0.021	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-23.2	-170.8	0	0	0	0	0	115.4	W278	W278-G282 WeakPolarHBondContact O-CA 3.36Å; W278-G282 PolarHBondContact O-N 3.33Å
283	N	98.2	Very high	98.2	Very high	47 Å²	47	10.8 Å²	10.8	25%	0.251	7%	0.067	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-33.2	172.4	-74.7	-63.2	0	0	0	113.3	V281 L285 P286 A287 G479 I480	V281-N283 PolarHBondContact O-N 3.41Å; N283-L285 VanDerWaalsContact C-N 3.34Å; N283-L285 PolarHBondContact O-N 3.44Å; N283-P286 WeakPolarHBondContact O-CD 3.44Å; N283-P286 WeakPolarHBondContact O-CG 3.35Å; N283-A287 WeakPolarHBondContact O-CB 3.44Å; N283-A287 PolarHBondContact O-N 3.46Å; N283-G479 VanDerWaalsContact OD1-CA 3.29Å; N283-G479 WeakPolarHBondContact OD1-CA 3.38Å; N283-I480 HydrophobicContact CB-CG1 4.29Å; N283-I480 PolarHBondContact OD1-N 3.32Å
284	T	98.6	Very high	98.2	Very high	10 Å²	10	11.9 Å²	11.9	6%	0.061	7%	0.072	C	C	.	.	H	α-helix	trans	-62	-41.7	-179.8	-64.5	0	0	0	0	111.2	M175 S280 V281 A287 T288 E446 I447	M175-T284 HydrophobicContact CE-CG2 3.43Å; M175-T284 VanDerWaalsContact CE-CG2 3.43Å; S280-T284 WeakPolarHBondContact O-CB 3.46Å; S280-T284 PolarHBondContact O-OG1 3.07Å; V281-T284 PolarHBondContact O-N 2.9Å; T284-A287 PolarHBondContact O-N 3.35Å; T284-T288 WeakPolarHBondContact O-CB 3.23Å; T284-T288 PolarHBondContact O-N 3.24Å; T284-T288 PolarHBondContact O-OG1 3.03Å; T284-E446 VanDerWaalsContact CG2-CD 3.45Å; T284-E446 HydrophobicContact CG2-CG 3.91Å; T284-E446 VanDerWaalsContact CG2-OE1 3.23Å; T284-E446 WeakPolarHBondContact CG2-OE1 3.45Å; T284-E446 PolarHBondContact OG1-OE1 3.15Å; T284-I447 HydrophobicContact CG2-CG1 4.34Å
285	L	98.5	Very high	98.1	Very high	2 Å²	2	12 Å²	12	1%	0.01	7%	0.072	C	C	.	.	H	α-helix	trans	-59	-55.3	-178.8	-57.7	-175.5	0	0	0	113	C172 M175 F176 V281 N283 A287 T288 F289	C172-L285 HydrophobicContact CB-CD1 4.44Å; M175-L285 HydrophobicContact CB-CD2 3.5Å; F176-L285 HydrophobicContact CB-CD1 4.47Å; F176-L285 HydrophobicContact CB-CD2 4.17Å; F176-L285 HydrophobicContact CD2-CD1 4.18Å; V281-L285 HydrophobicContact CB-CD1 4.32Å; V281-L285 HydrophobicContact CB-CD2 4.32Å; V281-L285 HydrophobicContact CB-CG 4.06Å; V281-L285 VanDerWaalsContact O-CG 3.3Å; V281-L285 WeakPolarHBondContact O-CG 3.25Å; V281-L285 PolarHBondContact O-N 3.01Å; N283-L285 VanDerWaalsContact C-N 3.34Å; N283-L285 PolarHBondContact O-N 3.44Å; L285-A287 VanDerWaalsContact C-N 3.33Å; L285-A287 PolarHBondContact O-N 3.1Å; L285-T288 PolarHBondContact O-N 3.23Å; L285-F289 PolarHBondContact O-N 3.14Å; L285-F289 VanDerWaalsContact O-N 3.09Å
286	P	98.4	Very high	98	Very high	1 Å²	1	12 Å²	12	1%	0.006	7%	0.071	C	C	.	.	H	α-helix	trans	-66.7	-32	175.8	24.9	-33.7	0	0	0	113.3	N283 F289 W290 I480 L482	N283-P286 WeakPolarHBondContact O-CD 3.44Å; N283-P286 WeakPolarHBondContact O-CG 3.35Å; P286-F289 PolarHBondContact O-N 2.96Å; P286-W290 PolarHBondContact O-N 3.38Å; P286-I480 HydrophobicContact CB-CG2 3.98Å; P286-I480 HydrophobicContact CG-CB 4.11Å; P286-I480 HydrophobicContact CG-CG2 4.12Å; P286-L482 HydrophobicContact CB-CD2 3.99Å; P286-L482 HydrophobicContact CG-CD2 4.1Å
287	A	98.8	Very high	97.9	Very high	5 Å²	5	13.4 Å²	13.4	4%	0.041	8%	0.083	C	C	.	.	H	α-helix	trans	-61.6	-45.7	175.2	0	0	0	0	0	112.1	N283 T284 L285 F289 W290 A291 L347 I447 I480	N283-A287 WeakPolarHBondContact O-CB 3.44Å; N283-A287 PolarHBondContact O-N 3.46Å; T284-A287 PolarHBondContact O-N 3.35Å; L285-A287 VanDerWaalsContact C-N 3.33Å; L285-A287 PolarHBondContact O-N 3.1Å; A287-F289 VanDerWaalsContact C-N 3.34Å; A287-W290 PolarHBondContact O-N 2.6Å; A287-A291 WeakPolarHBondContact O-CB 3.23Å; A287-A291 PolarHBondContact O-N 3.41Å; A287-L347 HydrophobicContact CB-CD2 3.78Å; A287-I447 HydrophobicContact CB-CD1 3.72Å; A287-I480 HydrophobicContact CB-CG1 4.33Å; A287-I480 HydrophobicContact CB-CG2 4.47Å
288	T	98.9	Very high	97.7	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-61.9	-43.6	175.8	-59.9	0	0	0	0	111.2	C171 M175 T284 L285 A291 A292 F450	C171-T288 HydrophobicContact CB-CG2 4.3Å; M175-T288 HydrophobicContact CG-CG2 3.71Å; M175-T288 HydrophobicContact SD-CG2 4.15Å; T284-T288 WeakPolarHBondContact O-CB 3.23Å; T284-T288 PolarHBondContact O-N 3.24Å; T284-T288 PolarHBondContact O-OG1 3.03Å; L285-T288 PolarHBondContact O-N 3.23Å; T288-A291 PolarHBondContact O-N 3.07Å; T288-A292 WeakPolarHBondContact O-CB 3.28Å; T288-A292 PolarHBondContact O-N 3.3Å; T288-F450 HydrophobicContact CG2-CB 4.31Å; T288-F450 HydrophobicContact CG2-CD1 3.15Å; T288-F450 HydrophobicContact CG2-CD2 4.31Å; T288-F450 HydrophobicContact CG2-CE1 3.39Å; T288-F450 HydrophobicContact CG2-CE2 4.5Å; T288-F450 HydrophobicContact CG2-CG 3.67Å; T288-F450 HydrophobicContact CG2-CZ 4.08Å
289	F	98.7	Very high	97.5	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-57.7	-50.7	175.1	164.3	-97	0	0	0	111.7	L167 Y168 C171 L285 P286 A287 A291 A292 Y293 P469 P483 V487	L167-F289 HydrophobicContact CB-CD2 4.49Å; L167-F289 HydrophobicContact CB-CE2 4.23Å; L167-F289 HydrophobicContact CD2-CD2 4.39Å; L167-F289 HydrophobicContact CD2-CE2 4.15Å; L167-F289 HydrophobicContact CG-CD2 4.09Å; L167-F289 HydrophobicContact CG-CE2 4.13Å; Y168-F289 HydrophobicContact CD2-CB 3.68Å; Y168-F289 HydrophobicContact CD2-CD1 4.1Å; Y168-F289 AromaticContact CD2-CD2 3.8Å; Y168-F289 HydrophobicContact CD2-CD2 3.8Å; Y168-F289 HydrophobicContact CD2-CE2 4.46Å; Y168-F289 AromaticContact CD2-CG 3.57Å; Y168-F289 HydrophobicContact CD2-CG 3.57Å; Y168-F289 HydrophobicContact CE2-CB 4.19Å; Y168-F289 HydrophobicContact CE2-CG 4.4Å; Y168-F289 HydrophobicContact CG-CD2 4.28Å; Y168-F289 HydrophobicContact CG-CG 4.47Å; C171-F289 HydrophobicContact CB-CB 4.36Å; L285-F289 PolarHBondContact O-N 3.14Å; L285-F289 VanDerWaalsContact O-N 3.09Å; P286-F289 PolarHBondContact O-N 2.96Å; A287-F289 VanDerWaalsContact C-N 3.34Å; F289-A291 PolarHBondContact O-N 3.14Å; F289-A292 PolarHBondContact O-N 3.49Å; F289-Y293 HydrophobicContact CZ-CD2 4.5Å; F289-Y293 HydrophobicContact CZ-CG 4.26Å; F289-Y293 VanDerWaalsContact O-CB 3.23Å; F289-Y293 WeakPolarHBondContact O-CB 3.22Å; F289-Y293 PolarHBondContact O-N 2.95Å; F289-P469 HydrophobicContact CZ-CG 4.24Å; F289-P483 HydrophobicContact CD1-CB 4.23Å; F289-P483 HydrophobicContact CD1-CG 3.9Å; F289-P483 HydrophobicContact CE1-CB 3.5Å; F289-P483 HydrophobicContact CE1-CG 3.64Å; F289-P483 HydrophobicContact CG-CG 4.5Å; F289-P483 HydrophobicContact CZ-CB 3.81Å; F289-P483 HydrophobicContact CZ-CG 3.96Å; F289-V487 HydrophobicContact CE2-CB 4.48Å; F289-V487 HydrophobicContact CE2-CG2 4.31Å; F289-V487 HydrophobicContact CZ-CG2 3.99Å
290	W	98.8	Very high	97.5	Very high	4 Å²	4	23.3 Å²	23.3	2%	0.015	13%	0.128	C	C	.	.	H	α-helix	trans	-63.2	-42.1	-178.1	-74.7	119.2	0	0	0	111.9	P286 A287 Y293 F294 P469 L471 L481 P483	P286-W290 PolarHBondContact O-N 3.38Å; A287-W290 PolarHBondContact O-N 2.6Å; W290-Y293 AromaticContact CE3-CD1 3.88Å; W290-Y293 HydrophobicContact CE3-CD1 3.88Å; W290-Y293 AromaticContact CZ3-CD1 3.86Å; W290-Y293 HydrophobicContact CZ3-CD1 3.86Å; W290-Y293 HydrophobicContact CZ3-CE1 4.17Å; W290-Y293 PolarHBondContact O-N 3.08Å; W290-F294 HydrophobicContact CB-CD2 4.23Å; W290-F294 HydrophobicContact CB-CE2 4.08Å; W290-F294 HydrophobicContact CD2-CE2 4.26Å; W290-F294 HydrophobicContact CE3-CD2 4.37Å; W290-F294 HydrophobicContact CE3-CE1 4.49Å; W290-F294 AromaticContact CE3-CE2 3.68Å; W290-F294 HydrophobicContact CE3-CE2 3.68Å; W290-F294 AromaticContact CE3-CZ 3.75Å; W290-F294 HydrophobicContact CE3-CZ 3.75Å; W290-F294 HydrophobicContact CG-CE2 4.44Å; W290-F294 HydrophobicContact CZ3-CZ 4.13Å; W290-F294 WeakPolarHBondContact O-CB 3.49Å; W290-F294 WeakPolarHBondContact O-CD2 3.21Å; W290-F294 WeakPolarHBondContact O-CG 3.2Å; W290-F294 PolarHBondContact O-N 3.44Å; W290-P469 HydrophobicContact CH2-CB 4.08Å; W290-P469 HydrophobicContact CH2-CG 3.93Å; W290-P469 HydrophobicContact CZ3-CG 3.85Å; W290-L471 HydrophobicContact CH2-CD2 4.06Å; W290-L471 HydrophobicContact CZ2-CD2 3.51Å; W290-L481 PolarHBondContact NE1-O 2.85Å; W290-P483 HydrophobicContact CH2-CB 4.28Å; W290-P483 HydrophobicContact CZ2-CB 4.01Å
291	A	98.7	Very high	97.4	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.008	12%	0.122	C	C	.	.	H	α-helix	trans	-58.9	-48.1	175.1	0	0	0	0	0	112.2	A287 T288 F289 L295 I343 S346 I447 V451	A287-A291 WeakPolarHBondContact O-CB 3.23Å; A287-A291 PolarHBondContact O-N 3.41Å; T288-A291 PolarHBondContact O-N 3.07Å; F289-A291 PolarHBondContact O-N 3.14Å; A291-L295 WeakPolarHBondContact O-CB 3.24Å; A291-L295 WeakPolarHBondContact O-CD1 3.34Å; A291-L295 WeakPolarHBondContact O-CG 3.46Å; A291-L295 PolarHBondContact O-N 3.48Å; A291-I343 HydrophobicContact CB-CG1 4.19Å; A291-S346 WeakPolarHBondContact CA-OG 3.22Å; A291-I447 HydrophobicContact CB-CG2 4.09Å; A291-V451 HydrophobicContact CB-CG2 4.3Å
292	A	98.4	Very high	97.2	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.008	13%	0.127	C	C	.	.	H	α-helix	trans	-64.5	-48.2	177	0	0	0	0	0	111.7	L167 T288 F289 F294 L295 V296 F450 L454	L167-A292 HydrophobicContact CD1-CB 4.38Å; T288-A292 WeakPolarHBondContact O-CB 3.28Å; T288-A292 PolarHBondContact O-N 3.3Å; F289-A292 PolarHBondContact O-N 3.49Å; A292-F294 PolarHBondContact O-N 2.81Å; A292-L295 PolarHBondContact O-N 3.4Å; A292-V296 WeakPolarHBondContact O-CB 3.41Å; A292-V296 WeakPolarHBondContact O-CG2 3.42Å; A292-V296 PolarHBondContact O-N 3.2Å; A292-F450 HydrophobicContact CB-CE1 4.49Å; A292-L454 HydrophobicContact CB-CD2 3.77Å
293	Y	98.3	Very high	97.2	Very high	13 Å²	13	29.3 Å²	29.3	5%	0.051	15%	0.152	C	C	.	.	H	α-helix	trans	-58.5	-50.7	-178.8	169.9	-101	0	0	0	111.8	L167 F289 W290 L295 V296 S297 L462 P469 V487	L167-Y293 HydrophobicContact CD2-CD2 4.34Å; F289-Y293 HydrophobicContact CZ-CD2 4.5Å; F289-Y293 HydrophobicContact CZ-CG 4.26Å; F289-Y293 VanDerWaalsContact O-CB 3.23Å; F289-Y293 WeakPolarHBondContact O-CB 3.22Å; F289-Y293 PolarHBondContact O-N 2.95Å; W290-Y293 AromaticContact CE3-CD1 3.88Å; W290-Y293 HydrophobicContact CE3-CD1 3.88Å; W290-Y293 AromaticContact CZ3-CD1 3.86Å; W290-Y293 HydrophobicContact CZ3-CD1 3.86Å; W290-Y293 HydrophobicContact CZ3-CE1 4.17Å; W290-Y293 PolarHBondContact O-N 3.08Å; Y293-L295 PolarHBondContact O-N 3.34Å; Y293-V296 PolarHBondContact O-N 2.93Å; Y293-S297 VanDerWaalsContact O-CB 3.23Å; Y293-S297 WeakPolarHBondContact O-CB 3.32Å; Y293-S297 PolarHBondContact O-N 3.18Å; Y293-S297 PolarHBondContact O-OG 3.41Å; Y293-L462 HydrophobicContact CD2-CD1 4.22Å; Y293-L462 HydrophobicContact CE2-CD1 3.79Å; Y293-P469 HydrophobicContact CD1-CG 4.3Å; Y293-P469 HydrophobicContact CD2-CG 4.28Å; Y293-P469 HydrophobicContact CE1-CG 3.92Å; Y293-P469 HydrophobicContact CE2-CG 3.9Å; Y293-P469 HydrophobicContact CG-CG 4.48Å; Y293-P469 VanDerWaalsContact OH-CD 3.31Å; Y293-P469 WeakPolarHBondContact OH-CD 3.48Å; Y293-V487 HydrophobicContact CD2-CB 4.42Å; Y293-V487 HydrophobicContact CD2-CG1 4.11Å; Y293-V487 HydrophobicContact CD2-CG2 3.97Å; Y293-V487 HydrophobicContact CE2-CG1 4.09Å; Y293-V487 HydrophobicContact CE2-CG2 3.97Å
294	F	97.9	Very high	97.2	Very high	29 Å²	29	28.9 Å²	28.9	13%	0.127	15%	0.151	C	C	.	.	H	α-helix	trans	-64.6	-42.8	-177.7	-74.4	-53.8	0	0	0	112.2	W290 A292 S297 Q298 L349 F401	W290-F294 HydrophobicContact CB-CD2 4.23Å; W290-F294 HydrophobicContact CB-CE2 4.08Å; W290-F294 HydrophobicContact CD2-CE2 4.26Å; W290-F294 HydrophobicContact CE3-CD2 4.37Å; W290-F294 HydrophobicContact CE3-CE1 4.49Å; W290-F294 AromaticContact CE3-CE2 3.68Å; W290-F294 HydrophobicContact CE3-CE2 3.68Å; W290-F294 AromaticContact CE3-CZ 3.75Å; W290-F294 HydrophobicContact CE3-CZ 3.75Å; W290-F294 HydrophobicContact CG-CE2 4.44Å; W290-F294 HydrophobicContact CZ3-CZ 4.13Å; W290-F294 WeakPolarHBondContact O-CB 3.49Å; W290-F294 WeakPolarHBondContact O-CD2 3.21Å; W290-F294 WeakPolarHBondContact O-CG 3.2Å; W290-F294 PolarHBondContact O-N 3.44Å; A292-F294 PolarHBondContact O-N 2.81Å; F294-S297 WeakPolarHBondContact CA-OG 3.24Å; F294-S297 PolarHBondContact O-N 3.28Å; F294-S297 PolarHBondContact O-OG 3.43Å; F294-Q298 PolarHBondContact O-N 3.48Å; F294-L349 HydrophobicContact CE1-CD1 4.1Å; F294-L349 HydrophobicContact CE2-CB 4.14Å; F294-L349 HydrophobicContact CE2-CD1 4.05Å; F294-L349 HydrophobicContact CZ-CB 4.1Å; F294-L349 HydrophobicContact CZ-CD1 3.74Å; F294-F401 HydrophobicContact CB-CB 4.5Å; F294-F401 HydrophobicContact CB-CD1 3.84Å; F294-F401 HydrophobicContact CB-CD2 3.45Å; F294-F401 VanDerWaalsContact CB-CD2 3.45Å; F294-F401 HydrophobicContact CB-CE1 3.81Å; F294-F401 HydrophobicContact CB-CE2 3.46Å; F294-F401 VanDerWaalsContact CB-CE2 3.46Å; F294-F401 HydrophobicContact CB-CG 3.67Å; F294-F401 HydrophobicContact CB-CZ 3.64Å; F294-F401 HydrophobicContact CD1-CB 3.78Å; F294-F401 AromaticContact CD1-CD2 3.96Å; F294-F401 HydrophobicContact CD1-CD2 3.96Å; F294-F401 AromaticContact CD1-CG 3.87Å; F294-F401 HydrophobicContact CD1-CG 3.87Å; F294-F401 AromaticContact CD2-CD2 3.74Å; F294-F401 HydrophobicContact CD2-CD2 3.74Å; F294-F401 HydrophobicContact CD2-CE2 4.08Å; F294-F401 HydrophobicContact CD2-CG 4.47Å; F294-F401 HydrophobicContact CE1-CB 4.21Å; F294-F401 HydrophobicContact CE2-CD2 4.47Å; F294-F401 HydrophobicContact CG-CB 4.19Å; F294-F401 HydrophobicContact CG-CD1 4.42Å; F294-F401 AromaticContact CG-CD2 3.46Å; F294-F401 HydrophobicContact CG-CD2 3.46Å; F294-F401 VanDerWaalsContact CG-CD2 3.46Å; F294-F401 AromaticContact CG-CE2 3.91Å; F294-F401 HydrophobicContact CG-CE2 3.91Å; F294-F401 AromaticContact CG-CG 3.77Å; F294-F401 HydrophobicContact CG-CG 3.77Å
295	L	97.6	Very high	97.1	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-61.1	-49.4	174.8	-74.5	169.8	0	0	0	111.8	A291 A292 Y293 S297 Q298 A301 L302 V305 L339 A342 V451 L455	A291-L295 WeakPolarHBondContact O-CB 3.24Å; A291-L295 WeakPolarHBondContact O-CD1 3.34Å; A291-L295 WeakPolarHBondContact O-CG 3.46Å; A291-L295 PolarHBondContact O-N 3.48Å; A292-L295 PolarHBondContact O-N 3.4Å; Y293-L295 PolarHBondContact O-N 3.34Å; L295-S297 PolarHBondContact O-N 3.31Å; L295-Q298 CarbonylContact O-C 3.57Å; L295-Q298 PolarHBondContact O-N 3.31Å; L295-Q298 VanDerWaalsContact O-N 3.13Å; L295-A301 HydrophobicContact CD2-CB 4.02Å; L295-L302 WeakPolarHBondContact O-CB 3.49Å; L295-V305 HydrophobicContact CD2-CB 4.31Å; L295-V305 HydrophobicContact CD2-CG2 3.87Å; L295-L339 HydrophobicContact CD1-CD1 4.27Å; L295-A342 HydrophobicContact CD1-CB 4.46Å; L295-A342 HydrophobicContact CD2-CB 3.84Å; L295-A342 HydrophobicContact CG-CB 4.32Å; L295-V451 HydrophobicContact CD1-CG1 3.57Å; L295-L455 HydrophobicContact CD1-CD1 4.49Å
296	V	95.5	Very high	97.1	Very high	13 Å²	13	30.1 Å²	30.1	8%	0.079	16%	0.155	C	C	.	.	H	α-helix	trans	-66.9	-28	-179.6	-178.6	0	0	0	0	111.7	A292 Y293 Q298 L302 L460 L462	A292-V296 WeakPolarHBondContact O-CB 3.41Å; A292-V296 WeakPolarHBondContact O-CG2 3.42Å; A292-V296 PolarHBondContact O-N 3.2Å; Y293-V296 PolarHBondContact O-N 2.93Å; V296-Q298 VanDerWaalsContact C-N 3.26Å; V296-Q298 PolarHBondContact O-N 3.22Å; V296-L302 HydrophobicContact CG2-CD1 4.3Å; V296-L460 HydrophobicContact CG1-CB 3.96Å; V296-L460 HydrophobicContact CG2-CB 4Å; V296-L460 HydrophobicContact CG2-CD1 3.82Å; V296-L460 HydrophobicContact CG2-CG 4.46Å; V296-L462 HydrophobicContact CB-CD2 4.34Å; V296-L462 HydrophobicContact CG1-CD2 3.77Å; V296-L462 HydrophobicContact CG1-CG 3.93Å
297	S	95.2	Very high	97.1	Very high	49 Å²	49	34.5 Å²	34.5	34%	0.343	18%	0.175	S	C	.	.	H	α-helix	trans	-73.2	-13.7	175.9	78.1	0	0	0	0	114.2	Y293 F294 L295	Y293-S297 VanDerWaalsContact O-CB 3.23Å; Y293-S297 WeakPolarHBondContact O-CB 3.32Å; Y293-S297 PolarHBondContact O-N 3.18Å; Y293-S297 PolarHBondContact O-OG 3.41Å; F294-S297 WeakPolarHBondContact CA-OG 3.24Å; F294-S297 PolarHBondContact O-N 3.28Å; F294-S297 PolarHBondContact O-OG 3.43Å; L295-S297 PolarHBondContact O-N 3.31Å
298	Q	95.1	Very high	97	Very high	62 Å²	62	35.5 Å²	35.5	29%	0.29	18%	0.179	S	C	.	.			trans	-128	101.9	-179	-68.8	-169.3	7.3	0	0	111.4	F294 L295 V296 E300 A301 L302 F401	F294-Q298 PolarHBondContact O-N 3.48Å; L295-Q298 CarbonylContact O-C 3.57Å; L295-Q298 PolarHBondContact O-N 3.31Å; L295-Q298 VanDerWaalsContact O-N 3.13Å; V296-Q298 VanDerWaalsContact C-N 3.26Å; V296-Q298 PolarHBondContact O-N 3.22Å; Q298-E300 VanDerWaalsContact C-N 3.26Å; Q298-E300 PolarHBondContact O-N 2.93Å; Q298-A301 HydrophobicContact CB-CB 3.86Å; Q298-A301 PolarHBondContact O-N 3Å; Q298-A301 VanDerWaalsContact O-N 3.11Å; Q298-L302 PolarHBondContact O-N 2.82Å; Q298-F401 HydrophobicContact CG-CD1 4.46Å; Q298-F401 PolarHBondContact NE2-O 2.95Å
299	V	92.9	Very high	97	Very high	121 Å²	121	35.5 Å²	35.5	73%	0.733	18%	0.179	S	C	*	.	H	α-helix	trans	-52.9	-41.4	-176.7	176.8	0	0	0	0	112.7	K303	V299-K303 WeakPolarHBondContact O-CB 3.24Å; V299-K303 PolarHBondContact O-N 2.98Å
300	E	95.6	Very high	96.9	Very high	111 Å²	111	37.1 Å²	37.1	52%	0.519	19%	0.188	S	C	.	.	H	α-helix	trans	-67.3	-46	179.8	-171.2	56.3	-147	0	0	112	Q298 L302 K303 V304	Q298-E300 VanDerWaalsContact C-N 3.26Å; Q298-E300 PolarHBondContact O-N 2.93Å; E300-L302 VanDerWaalsContact C-N 3.32Å; E300-L302 PolarHBondContact O-N 3.15Å; E300-K303 PolarHBondContact O-N 2.98Å; E300-K303 VanDerWaalsContact O-N 3.13Å; E300-V304 WeakPolarHBondContact O-CG2 3.47Å; E300-V304 PolarHBondContact O-N 2.83Å; E300-V304 WeakPolarHBondContact OE1-CG2 3.34Å
301	A	95.8	Very high	96.8	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-58.1	-46.6	177	0	0	0	0	0	111.2	L295 Q298 K303 V304 V305 F401 F403	L295-A301 HydrophobicContact CD2-CB 4.02Å; Q298-A301 HydrophobicContact CB-CB 3.86Å; Q298-A301 PolarHBondContact O-N 3Å; Q298-A301 VanDerWaalsContact O-N 3.11Å; A301-K303 VanDerWaalsContact C-N 3.31Å; A301-K303 PolarHBondContact O-N 2.91Å; A301-V304 PolarHBondContact O-N 3.02Å; A301-V305 WeakPolarHBondContact O-CB 3.41Å; A301-V305 VanDerWaalsContact O-CG2 3.29Å; A301-V305 WeakPolarHBondContact O-CG2 3.28Å; A301-V305 PolarHBondContact O-N 3.14Å; A301-F401 HydrophobicContact CB-CE1 4.47Å; A301-F403 HydrophobicContact CB-CB 3.74Å; A301-F403 HydrophobicContact CB-CD1 3.49Å; A301-F403 VanDerWaalsContact CB-CD1 3.49Å; A301-F403 HydrophobicContact CB-CD2 4.35Å; A301-F403 HydrophobicContact CB-CE1 4.19Å; A301-F403 HydrophobicContact CB-CG 3.59Å
302	L	94.9	Very high	96.8	Very high	17 Å²	17	39.8 Å²	39.8	9%	0.089	20%	0.203	C	C	.	.	H	α-helix	trans	-61	-38.6	177.2	174.6	151.9	0	0	0	112.3	L295 V296 Q298 E300 R306 L455 L460	L295-L302 WeakPolarHBondContact O-CB 3.49Å; V296-L302 HydrophobicContact CG2-CD1 4.3Å; Q298-L302 PolarHBondContact O-N 2.82Å; E300-L302 VanDerWaalsContact C-N 3.32Å; E300-L302 PolarHBondContact O-N 3.15Å; L302-R306 VanDerWaalsContact CD2-CZ 3.49Å; L302-R306 WeakPolarHBondContact O-CB 3.41Å; L302-R306 PolarHBondContact O-N 2.94Å; L302-L455 HydrophobicContact CD1-CD2 4.06Å; L302-L455 HydrophobicContact CG-CD2 4.03Å; L302-L460 HydrophobicContact CD1-CD1 4.4Å
303	K	96.1	Very high	96.7	Very high	129 Å²	129	39.8 Å²	39.8	56%	0.561	20%	0.203	S	C	*	.	H	α-helix	trans	-67.2	-49.9	177.3	-176.8	-174.5	173.7	-167.9	0	111.7	V299 E300 A301 R306 Q307	V299-K303 WeakPolarHBondContact O-CB 3.24Å; V299-K303 PolarHBondContact O-N 2.98Å; E300-K303 PolarHBondContact O-N 2.98Å; E300-K303 VanDerWaalsContact O-N 3.13Å; A301-K303 VanDerWaalsContact C-N 3.31Å; A301-K303 PolarHBondContact O-N 2.91Å; K303-R306 PolarHBondContact O-N 2.46Å; K303-Q307 WeakPolarHBondContact O-CB 3.07Å; K303-Q307 PolarHBondContact O-N 3.3Å
304	V	97.8	Very high	96.6	Very high	37 Å²	37	46.4 Å²	46.4	22%	0.224	23%	0.228	C	C	.	.	H	α-helix	trans	-63	-49.4	-178.4	174	0	0	0	0	111	E300 A301 R306 Q307 E308 F338 F403	E300-V304 WeakPolarHBondContact O-CG2 3.47Å; E300-V304 PolarHBondContact O-N 2.83Å; E300-V304 WeakPolarHBondContact OE1-CG2 3.34Å; A301-V304 PolarHBondContact O-N 3.02Å; V304-R306 PolarHBondContact O-N 3.39Å; V304-Q307 PolarHBondContact O-N 3.47Å; V304-E308 PolarHBondContact O-N 3.23Å; V304-F338 HydrophobicContact CG1-CD1 4.16Å; V304-F338 HydrophobicContact CG1-CD2 4.19Å; V304-F338 HydrophobicContact CG1-CE1 4.4Å; V304-F338 HydrophobicContact CG1-CE2 4.44Å; V304-F338 HydrophobicContact CG1-CG 4.04Å; V304-F403 HydrophobicContact CB-CE2 3.85Å; V304-F403 HydrophobicContact CB-CZ 4.04Å; V304-F403 HydrophobicContact CG1-CE2 3.68Å; V304-F403 HydrophobicContact CG1-CZ 4.16Å; V304-F403 HydrophobicContact CG2-CE2 4.35Å; V304-F403 HydrophobicContact CG2-CZ 4.03Å
305	V	98.3	Very high	96.5	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-65.6	-39.3	-179.1	175	0	0	0	0	111.3	L295 A301 Q307 E308 I309 F338 L339 F403 L455	L295-V305 HydrophobicContact CD2-CB 4.31Å; L295-V305 HydrophobicContact CD2-CG2 3.87Å; A301-V305 WeakPolarHBondContact O-CB 3.41Å; A301-V305 VanDerWaalsContact O-CG2 3.29Å; A301-V305 WeakPolarHBondContact O-CG2 3.28Å; A301-V305 PolarHBondContact O-N 3.14Å; V305-Q307 VanDerWaalsContact C-N 3.33Å; V305-Q307 PolarHBondContact O-N 3.48Å; V305-E308 PolarHBondContact O-N 2.81Å; V305-I309 HydrophobicContact CG1-CD1 4.13Å; V305-I309 WeakPolarHBondContact O-CD1 3.28Å; V305-I309 VanDerWaalsContact O-CG1 3.26Å; V305-I309 WeakPolarHBondContact O-CG1 3.37Å; V305-I309 PolarHBondContact O-N 3.49Å; V305-I309 VanDerWaalsContact O-N 3.13Å; V305-F338 HydrophobicContact CG2-CB 4.09Å; V305-L339 HydrophobicContact CG1-CB 3.91Å; V305-L339 HydrophobicContact CG1-CD1 3.76Å; V305-L339 HydrophobicContact CG1-CG 4.34Å; V305-F403 HydrophobicContact CG2-CD2 4.25Å; V305-L455 HydrophobicContact CB-CD1 4.24Å; V305-L455 HydrophobicContact CG1-CD1 3.75Å
306	R	97.4	Very high	96.3	Very high	39 Å²	39	53.6 Å²	53.6	15%	0.147	27%	0.272	C	S	.	.	H	α-helix	trans	-61.4	-43.6	173.8	-178.2	-173.8	-71.3	132.5	-3	111.6	L302 K303 V304 I309 V310 L455 F458	L302-R306 VanDerWaalsContact CD2-CZ 3.49Å; L302-R306 WeakPolarHBondContact O-CB 3.41Å; L302-R306 PolarHBondContact O-N 2.94Å; K303-R306 PolarHBondContact O-N 2.46Å; V304-R306 PolarHBondContact O-N 3.39Å; R306-I309 PolarHBondContact O-N 3.33Å; R306-V310 WeakPolarHBondContact O-CG2 3.21Å; R306-V310 PolarHBondContact O-N 3.29Å; R306-V310 VanDerWaalsContact O-N 3.1Å; R306-L455 HydrophobicContact CB-CB 4.48Å; R306-L455 PolarHBondContact NE-O 2.98Å; R306-F458 PolarHBondContact NH2-O 3.44Å
307	Q	97.7	Very high	96.2	Very high	93 Å²	93	56.4 Å²	56.4	44%	0.435	30%	0.303	S	S	.	.	H	α-helix	trans	-63.4	-43.4	179.8	-172	56.6	52.2	0	0	111.1	K303 V304 V305 I309 V310 D311	K303-Q307 WeakPolarHBondContact O-CB 3.07Å; K303-Q307 PolarHBondContact O-N 3.3Å; V304-Q307 PolarHBondContact O-N 3.47Å; V305-Q307 VanDerWaalsContact C-N 3.33Å; V305-Q307 PolarHBondContact O-N 3.48Å; Q307-I309 VanDerWaalsContact C-N 3.31Å; Q307-I309 PolarHBondContact O-N 3.35Å; Q307-V310 PolarHBondContact O-N 2.85Å; Q307-V310 VanDerWaalsContact O-N 3.16Å; Q307-D311 WeakPolarHBondContact CG-OD2 3.48Å; Q307-D311 VanDerWaalsContact NE2-CG 3.26Å; Q307-D311 PolarHBondContact NE2-OD1 3.44Å; Q307-D311 PolarHBondContact NE2-OD2 3.28Å; Q307-D311 PolarHBondContact O-N 3.43Å
308	E	98.2	Very high	96.1	Very high	25 Å²	25	56.8 Å²	56.8	12%	0.117	30%	0.303	C	S	.	.	H	α-helix	trans	-53.9	-46.1	173.6	178.9	-178.2	-115.8	0	0	112	V304 V305 V310 D311 V312 L336 I337 F338 L339	V304-E308 PolarHBondContact O-N 3.23Å; V305-E308 PolarHBondContact O-N 2.81Å; E308-V310 PolarHBondContact O-N 3.01Å; E308-D311 PolarHBondContact O-N 3.17Å; E308-V312 WeakPolarHBondContact O-CG2 3.35Å; E308-V312 PolarHBondContact O-N 2.62Å; E308-L336 HydrophobicContact CG-CD2 3.95Å; E308-L336 WeakPolarHBondContact OE2-CA 3.49Å; E308-I337 PolarHBondContact OE1-N 3.12Å; E308-F338 WeakPolarHBondContact OE1-CD2 3.38Å; E308-F338 PolarHBondContact OE1-N 3.35Å; E308-F338 PolarHBondContact OE2-N 2.99Å; E308-L339 PolarHBondContact OE2-N 3.24Å
309	I	98.1	Very high	95.7	Very high	1 Å²	1	61.4 Å²	61.4	1%	0.005	33%	0.33	C	S	.	.	H	α-helix	trans	-63	-44	179	-61	157	0	0	0	111.2	V305 R306 Q307 V312 L313 L336 C452 L455 L456	V305-I309 HydrophobicContact CG1-CD1 4.13Å; V305-I309 WeakPolarHBondContact O-CD1 3.28Å; V305-I309 VanDerWaalsContact O-CG1 3.26Å; V305-I309 WeakPolarHBondContact O-CG1 3.37Å; V305-I309 PolarHBondContact O-N 3.49Å; V305-I309 VanDerWaalsContact O-N 3.13Å; R306-I309 PolarHBondContact O-N 3.33Å; Q307-I309 VanDerWaalsContact C-N 3.31Å; Q307-I309 PolarHBondContact O-N 3.35Å; I309-V312 PolarHBondContact O-N 3.03Å; I309-L313 HydrophobicContact CG2-CD1 4.46Å; I309-L313 WeakPolarHBondContact O-CG 3.43Å; I309-L313 PolarHBondContact O-N 3.27Å; I309-L313 VanDerWaalsContact O-N 3.15Å; I309-L336 HydrophobicContact CB-CD2 4.42Å; I309-L336 HydrophobicContact CG1-CD1 4.48Å; I309-L336 HydrophobicContact CG1-CD2 3.99Å; I309-C452 HydrophobicContact CD1-CB 4.33Å; I309-C452 HydrophobicContact CG2-CB 4.26Å; I309-L455 HydrophobicContact CD1-CB 4.24Å; I309-L455 HydrophobicContact CD1-CD1 4.06Å; I309-L456 HydrophobicContact CG2-CD1 3.74Å; I309-L456 HydrophobicContact CG2-CD2 3.87Å; I309-L456 HydrophobicContact CG2-CG 3.8Å
310	V	97.1	Very high	95.7	Very high	33 Å²	33	56.8 Å²	56.8	20%	0.2	30%	0.3	C	S	.	.	H	α-helix	trans	-63.7	-42.4	178.9	170.2	0	0	0	0	111.3	R306 Q307 E308 L313 R314 L456	R306-V310 WeakPolarHBondContact O-CG2 3.21Å; R306-V310 PolarHBondContact O-N 3.29Å; R306-V310 VanDerWaalsContact O-N 3.1Å; Q307-V310 PolarHBondContact O-N 2.85Å; Q307-V310 VanDerWaalsContact O-N 3.16Å; E308-V310 PolarHBondContact O-N 3.01Å; V310-L313 PolarHBondContact O-N 3.33Å; V310-R314 WeakPolarHBondContact O-CB 3.46Å; V310-R314 PolarHBondContact O-N 2.87Å; V310-L456 HydrophobicContact CG2-CD2 4.01Å
311	D	97.3	Very high	95.4	Very high	50 Å²	50	53.4 Å²	53.4	27%	0.267	29%	0.289	S	S	.	.	H	α-helix	trans	-67.4	-40.8	-179.5	-67.5	-30.7	0	0	0	111.4	Q307 E308 L313 R314 D315	Q307-D311 WeakPolarHBondContact CG-OD2 3.48Å; Q307-D311 VanDerWaalsContact NE2-CG 3.26Å; Q307-D311 PolarHBondContact NE2-OD1 3.44Å; Q307-D311 PolarHBondContact NE2-OD2 3.28Å; Q307-D311 PolarHBondContact O-N 3.43Å; E308-D311 PolarHBondContact O-N 3.17Å; D311-L313 VanDerWaalsContact C-N 3.32Å; D311-L313 PolarHBondContact O-N 2.86Å; D311-R314 PolarHBondContact O-N 3.43Å; D311-R314 IonicContact OD1-CZ 3.12Å; D311-R314 IonicContact OD1-NH1 3.61Å; D311-R314 PolarHBondContact OD1-NH1 2.91Å; D311-D315 WeakPolarHBondContact O-CB 3.22Å; D311-D315 VanDerWaalsContact O-CG 3.27Å; D311-D315 PolarHBondContact O-N 3.44Å
312	V	97.9	Very high	95.1	Very high	12 Å²	12	54.9 Å²	54.9	7%	0.073	30%	0.298	C	S	.	.	H	α-helix	trans	-60.9	-39.5	174.2	167.1	0	0	0	0	112.5	E308 I309 S316 Q332 K335 L336	E308-V312 WeakPolarHBondContact O-CG2 3.35Å; E308-V312 PolarHBondContact O-N 2.62Å; I309-V312 PolarHBondContact O-N 3.03Å; V312-S316 WeakPolarHBondContact O-CB 3.45Å; V312-S316 PolarHBondContact O-N 3.45Å; V312-S316 PolarHBondContact O-OG 3.04Å; V312-Q332 HydrophobicContact CG1-CB 3.84Å; V312-Q332 HydrophobicContact CG1-CG 4.19Å; V312-K335 HydrophobicContact CG1-CB 4.43Å; V312-K335 HydrophobicContact CG1-CD 4.46Å; V312-K335 HydrophobicContact CG2-CB 3.83Å; V312-L336 HydrophobicContact CB-CD2 4.08Å; V312-L336 HydrophobicContact CG1-CD2 4.42Å; V312-L336 HydrophobicContact CG2-CD2 3.78Å
313	L	96.6	Very high	94.7	Very high	1 Å²	1	58.5 Å²	58.5	1%	0.005	33%	0.325	C	S	.	.	H	α-helix	trans	-65.6	-47.7	175	-71.9	176.3	0	0	0	111.2	I309 V310 D311 D315 S316 G317 V318 F320 V326 L328 L456	I309-L313 HydrophobicContact CG2-CD1 4.46Å; I309-L313 WeakPolarHBondContact O-CG 3.43Å; I309-L313 PolarHBondContact O-N 3.27Å; I309-L313 VanDerWaalsContact O-N 3.15Å; V310-L313 PolarHBondContact O-N 3.33Å; D311-L313 VanDerWaalsContact C-N 3.32Å; D311-L313 PolarHBondContact O-N 2.86Å; L313-D315 PolarHBondContact O-N 2.97Å; L313-S316 CarbonylContact O-C 3.53Å; L313-S316 WeakPolarHBondContact O-CA 3.18Å; L313-S316 WeakPolarHBondContact O-CB 3.04Å; L313-S316 PolarHBondContact O-N 3.36Å; L313-G317 PolarHBondContact O-N 3.46Å; L313-V318 CarbonylContact C-O 3.58Å; L313-V318 HydrophobicContact CB-CB 4.21Å; L313-V318 HydrophobicContact CD2-CB 4.24Å; L313-V318 HydrophobicContact CD2-CG1 4.2Å; L313-V318 WeakPolarHBondContact O-CB 3.13Å; L313-V318 PolarHBondContact O-N 3.03Å; L313-F320 HydrophobicContact CD1-CB 4.14Å; L313-F320 HydrophobicContact CD1-CG 4.47Å; L313-V326 HydrophobicContact CD1-CG2 3.93Å; L313-V326 HydrophobicContact CD2-CG2 3.85Å; L313-L328 HydrophobicContact CD2-CD2 3.72Å; L313-L328 HydrophobicContact CG-CD2 4.39Å; L313-L456 HydrophobicContact CD1-CD1 3.85Å; L313-L456 HydrophobicContact CD1-CD2 4.12Å
314	R	95.8	Very high	94.3	Very high	152 Å²	152	55.4 Å²	55.4	57%	0.574	32%	0.319	S	S	*	.	H	α-helix	trans	-59.4	-45.9	178.4	-174.4	-171.3	-65.8	136.8	2.6	111.9	V310 D311 S316 G317	V310-R314 WeakPolarHBondContact O-CB 3.46Å; V310-R314 PolarHBondContact O-N 2.87Å; D311-R314 PolarHBondContact O-N 3.43Å; D311-R314 IonicContact OD1-CZ 3.12Å; D311-R314 IonicContact OD1-NH1 3.61Å; D311-R314 PolarHBondContact OD1-NH1 2.91Å; R314-S316 PolarHBondContact O-N 2.9Å; R314-S316 VanDerWaalsContact O-N 3.16Å; R314-G317 PolarHBondContact O-N 3.25Å
315	D	96.1	Very high	94	Very high	132 Å²	132	58.6 Å²	58.6	71%	0.706	34%	0.335	S	S	*	.	H	α-helix	trans	-64	-20.2	178.6	-73.8	-7.4	0	0	0	112.5	D311 L313	D311-D315 WeakPolarHBondContact O-CB 3.22Å; D311-D315 VanDerWaalsContact O-CG 3.27Å; D311-D315 PolarHBondContact O-N 3.44Å; L313-D315 PolarHBondContact O-N 2.97Å
316	S	93.4	Very high	93.8	Very high	49 Å²	49	58.7 Å²	58.7	34%	0.343	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	7	174.9	-51.5	0	0	0	0	112.8	V312 L313 R314 V318 Q332	V312-S316 WeakPolarHBondContact O-CB 3.45Å; V312-S316 PolarHBondContact O-N 3.45Å; V312-S316 PolarHBondContact O-OG 3.04Å; L313-S316 CarbonylContact O-C 3.53Å; L313-S316 WeakPolarHBondContact O-CA 3.18Å; L313-S316 WeakPolarHBondContact O-CB 3.04Å; L313-S316 PolarHBondContact O-N 3.36Å; R314-S316 PolarHBondContact O-N 2.9Å; R314-S316 VanDerWaalsContact O-N 3.16Å; S316-V318 VanDerWaalsContact C-N 3.32Å; S316-V318 PolarHBondContact O-N 3.46Å; S316-Q332 PolarHBondContact OG-NE2 2.81Å
317	G	93.5	Very high	93.7	Very high	72 Å²	72	61.5 Å²	61.5	74%	0.742	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.1	19	-179.5	0	0	0	0	0	114.7	L313 R314	L313-G317 PolarHBondContact O-N 3.46Å; R314-G317 PolarHBondContact O-N 3.25Å
318	V	91.8	Very high	93.5	Very high	56 Å²	56	57.2 Å²	57.2	34%	0.339	33%	0.332	S	S	.	.			trans	-96.6	110.6	177.3	-179	0	0	0	0	109.3	L313 S316 F320	L313-V318 CarbonylContact C-O 3.58Å; L313-V318 HydrophobicContact CB-CB 4.21Å; L313-V318 HydrophobicContact CD2-CB 4.24Å; L313-V318 HydrophobicContact CD2-CG1 4.2Å; L313-V318 WeakPolarHBondContact O-CB 3.13Å; L313-V318 PolarHBondContact O-N 3.03Å; S316-V318 VanDerWaalsContact C-N 3.32Å; S316-V318 PolarHBondContact O-N 3.46Å; V318-F320 PolarHBondContact O-N 3Å
319	D	88.3	Confident	93.3	Very high	160 Å²	160	57.7 Å²	57.7	86%	0.856	34%	0.338	S	S	*	.			trans	-84.3	107	169.7	-167.5	19.4	0	0	0	109.6
320	F	91.9	Very high	93.1	Very high	24 Å²	24	60.3 Å²	60.3	11%	0.105	35%	0.349	C	S	.	.			trans	-78.9	130.8	-173	172.5	-102.5	0	0	0	111.6	L313 V318 T322 V326 L456 Y457 V496	L313-F320 HydrophobicContact CD1-CB 4.14Å; L313-F320 HydrophobicContact CD1-CG 4.47Å; V318-F320 PolarHBondContact O-N 3Å; F320-T322 HydrophobicContact CE1-CG2 4.14Å; F320-T322 HydrophobicContact CZ-CG2 4.17Å; F320-V326 HydrophobicContact CD2-CB 4.15Å; F320-V326 HydrophobicContact CD2-CG2 4.28Å; F320-V326 HydrophobicContact CE2-CB 4.24Å; F320-V326 HydrophobicContact CE2-CG1 4.41Å; F320-L456 HydrophobicContact CD1-CD2 4.08Å; F320-L456 HydrophobicContact CD2-CD1 4.45Å; F320-L456 HydrophobicContact CE1-CB 4.02Å; F320-L456 HydrophobicContact CE1-CD2 4.18Å; F320-L456 WeakPolarHBondContact CE1-O 3.39Å; F320-L456 HydrophobicContact CE2-CB 4.08Å; F320-L456 HydrophobicContact CE2-CD1 4.34Å; F320-L456 HydrophobicContact CG-CD2 4.28Å; F320-L456 HydrophobicContact CZ-CB 3.68Å; F320-L456 HydrophobicContact CZ-CD2 4.48Å; F320-Y457 HydrophobicContact CE2-CD2 4.23Å; F320-Y457 HydrophobicContact CE2-CE1 4.27Å; F320-Y457 AromaticContact CE2-CE2 3.63Å; F320-Y457 HydrophobicContact CE2-CE2 3.63Å; F320-Y457 AromaticContact CE2-CZ 3.68Å; F320-Y457 HydrophobicContact CZ-CD1 4.33Å; F320-Y457 AromaticContact CZ-CD2 4Å; F320-Y457 HydrophobicContact CZ-CD2 4Å; F320-Y457 HydrophobicContact CZ-CE1 4.23Å; F320-Y457 AromaticContact CZ-CE2 3.86Å; F320-Y457 HydrophobicContact CZ-CE2 3.86Å; F320-Y457 HydrophobicContact CZ-CG 4.25Å; F320-V496 HydrophobicContact CD1-CG1 4.18Å; F320-V496 HydrophobicContact CE1-CG1 4.46Å; F320-V496 HydrophobicContact CE1-CG2 4.19Å
321	S	89.8	Confident	93	Very high	40 Å²	40	64 Å²	64	28%	0.28	36%	0.364	S	S	.	.			trans	-131.3	145.1	167.4	169.5	0	0	0	0	110.1	S323 S324	S321-S323 PolarHBondContact O-N 2.67Å; S321-S323 PolarHBondContact OG-N 2.85Å; S321-S323 PolarHBondContact OG-OG 3.04Å; S321-S324 PolarHBondContact O-N 3Å; S321-S324 VanDerWaalsContact O-N 3.16Å
322	T	89	Confident	92.9	Very high	31 Å²	31	62.4 Å²	62.4	19%	0.19	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-18.3	175	53.5	0	0	0	0	113.1	R152 F320 Y457 R494 V496	R152-T322 PolarHBondContact NH1-O 2.91Å; R152-T322 VanDerWaalsContact NH1-O 3.13Å; F320-T322 HydrophobicContact CE1-CG2 4.14Å; F320-T322 HydrophobicContact CZ-CG2 4.17Å; T322-Y457 HydrophobicContact CG2-CD1 4.45Å; T322-Y457 WeakPolarHBondContact O-CE1 3.39Å; T322-R494 HydrophobicContact CG2-CB 4.31Å; T322-V496 HydrophobicContact CG2-CB 4.34Å; T322-V496 HydrophobicContact CG2-CG2 3.77Å
323	S	85.8	Confident	92.9	Very high	93 Å²	93	61.9 Å²	61.9	65%	0.65	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-15.5	176.5	65	0	0	0	0	114.3	S321	S321-S323 PolarHBondContact O-N 2.67Å; S321-S323 PolarHBondContact OG-N 2.85Å; S321-S323 PolarHBondContact OG-OG 3.04Å
324	S	87.7	Confident	92.9	Very high	64 Å²	64	65.5 Å²	65.5	45%	0.448	37%	0.371	S	S	.	.	S	Bend	trans	-112.8	152	-173.5	-59.9	0	0	0	0	110.7	R152 S321 Y457	R152-S324 PolarHBondContact NH2-O 3.36Å; S321-S324 PolarHBondContact O-N 3Å; S321-S324 VanDerWaalsContact O-N 3.16Å; S324-Y457 PolarHBondContact O-OH 3.28Å
325	D	93.2	Very high	92.9	Very high	103 Å²	103	63.7 Å²	63.7	55%	0.551	37%	0.367	S	S	*	.			trans	-70.4	137.5	171	-74.5	-9.8	0	0	0	109.8	M148 R152	M148-D325 HydrophobicContact CG-CB 3.81Å; M148-D325 VanDerWaalsContact CG-OD1 3.29Å; M148-D325 WeakPolarHBondContact CG-OD1 3.4Å; M148-D325 HydrophobicContact SD-CB 4.27Å; M148-D325 VanDerWaalsContact SD-OD1 3.35Å; R152-D325 IonicContact CZ-OD1 3.05Å; R152-D325 IonicContact NE-OD1 2.77Å; R152-D325 PolarHBondContact NE-OD1 2.88Å; R152-D325 IonicContact NH2-OD1 2.94Å; R152-D325 PolarHBondContact NH2-OD1 3.17Å
326	V	94.1	Very high	93	Very high	3 Å²	3	57.4 Å²	57.4	2%	0.018	33%	0.334	C	S	.	.			trans	-105.7	135.9	173	70.3	0	0	0	0	109.3	M148 L313 F320 L453 L456 Y457	M148-V326 HydrophobicContact CE-CG1 3.99Å; L313-V326 HydrophobicContact CD1-CG2 3.93Å; L313-V326 HydrophobicContact CD2-CG2 3.85Å; F320-V326 HydrophobicContact CD2-CB 4.15Å; F320-V326 HydrophobicContact CD2-CG2 4.28Å; F320-V326 HydrophobicContact CE2-CB 4.24Å; F320-V326 HydrophobicContact CE2-CG1 4.41Å; V326-L453 HydrophobicContact CG1-CD2 3.4Å; V326-L456 HydrophobicContact CG1-CD1 4.19Å; V326-L456 HydrophobicContact CG2-CD1 4.47Å; V326-Y457 HydrophobicContact CG1-CE2 3.75Å; V326-Y457 PolarHBondContact N-OH 3.32Å
327	M	93.9	Very high	93.2	Very high	98 Å²	98	57.7 Å²	57.7	48%	0.483	33%	0.331	S	S	.	.			trans	-117.7	125	174.5	-63.8	-59.5	-66.5	0	0	108.6	M144 Q332	M144-M327 HydrophobicContact CB-CE 3.91Å; M144-M327 HydrophobicContact CG-CE 3.83Å; M144-M327 HydrophobicContact CG-SD 3.89Å; M327-Q332 PolarHBondContact O-OE1 3.41Å
328	L	94.4	Very high	93.5	Very high	3 Å²	3	57.2 Å²	57.2	2%	0.016	31%	0.309	C	S	.	.			trans	-108.2	115.6	175	-72.4	155.7	0	0	0	109.1	M144 L313 Q332 L333 C452	M144-L328 HydrophobicContact SD-CB 3.95Å; M144-L328 HydrophobicContact SD-CD1 4.25Å; M144-L328 HydrophobicContact SD-CG 4.47Å; L313-L328 HydrophobicContact CD2-CD2 3.72Å; L313-L328 HydrophobicContact CG-CD2 4.39Å; L328-Q332 HydrophobicContact CD2-CB 4.26Å; L328-L333 HydrophobicContact CB-CD2 3.96Å; L328-L333 HydrophobicContact CB-CG 4.34Å; L328-L333 HydrophobicContact CD1-CD2 4.31Å; L328-C452 HydrophobicContact CD1-CB 3.39Å
329	S	93.8	Very high	93.8	Very high	35 Å²	35	54.5 Å²	54.5	25%	0.245	29%	0.292	C	S	.	.			trans	-72.2	163	173.7	91.3	0	0	0	0	111	E331 Q332 L333	S329-E331 VanDerWaalsContact CB-OE2 3.29Å; S329-E331 WeakPolarHBondContact CB-OE2 3.47Å; S329-E331 PolarHBondContact O-N 3.49Å; S329-E331 PolarHBondContact OG-N 2.87Å; S329-E331 PolarHBondContact OG-OE2 2.82Å; S329-Q332 PolarHBondContact O-N 2.93Å; S329-Q332 PolarHBondContact OG-N 3.07Å; S329-L333 WeakPolarHBondContact O-CG 3.27Å; S329-L333 PolarHBondContact O-N 3.26Å
330	K	93.8	Very high	94.3	Very high	56 Å²	56	50 Å²	50	24%	0.243	27%	0.266	C	S	.	.	H	α-helix	trans	-56.1	-42.9	174.5	-176.4	-154.9	170.6	-72.3	0	111.2	Q332 L333 D334	K330-Q332 VanDerWaalsContact C-N 3.28Å; K330-Q332 PolarHBondContact O-N 3.28Å; K330-L333 WeakPolarHBondContact O-CB 3.45Å; K330-L333 PolarHBondContact O-N 2.9Å; K330-L333 VanDerWaalsContact O-N 3.12Å; K330-D334 VanDerWaalsContact NZ-CG 3.33Å; K330-D334 IonicContact NZ-OD1 2.88Å; K330-D334 PolarHBondContact NZ-OD1 3.46Å; K330-D334 IonicContact NZ-OD2 2.89Å; K330-D334 PolarHBondContact NZ-OD2 2.98Å; K330-D334 VanDerWaalsContact O-CG 3.25Å; K330-D334 PolarHBondContact O-N 2.97Å
331	E	94.3	Very high	94.6	Very high	109 Å²	109	48.9 Å²	48.9	51%	0.509	26%	0.262	S	S	.	.	H	α-helix	trans	-65	-33.3	-178.7	-58.2	68.4	-146.1	0	0	111.8	S329 K335	S329-E331 VanDerWaalsContact CB-OE2 3.29Å; S329-E331 WeakPolarHBondContact CB-OE2 3.47Å; S329-E331 PolarHBondContact O-N 3.49Å; S329-E331 PolarHBondContact OG-N 2.87Å; S329-E331 PolarHBondContact OG-OE2 2.82Å; E331-K335 WeakPolarHBondContact O-CG 3.38Å
332	Q	96.6	Very high	95.1	Very high	18 Å²	18	47 Å²	47	8%	0.084	25%	0.248	C	C	.	.	H	α-helix	trans	-70.5	-42.4	172.5	-68.5	174.1	-46.2	0	0	110.9	V312 S316 M327 L328 S329 K330 D334 K335	V312-Q332 HydrophobicContact CG1-CB 3.84Å; V312-Q332 HydrophobicContact CG1-CG 4.19Å; S316-Q332 PolarHBondContact OG-NE2 2.81Å; M327-Q332 PolarHBondContact O-OE1 3.41Å; L328-Q332 HydrophobicContact CD2-CB 4.26Å; S329-Q332 PolarHBondContact O-N 2.93Å; S329-Q332 PolarHBondContact OG-N 3.07Å; K330-Q332 VanDerWaalsContact C-N 3.28Å; K330-Q332 PolarHBondContact O-N 3.28Å; Q332-D334 VanDerWaalsContact C-N 3.29Å; Q332-D334 PolarHBondContact O-N 3.48Å; Q332-K335 WeakPolarHBondContact O-CB 3.4Å; Q332-K335 PolarHBondContact O-N 2.85Å; Q332-K335 VanDerWaalsContact O-N 3.12Å
333	L	97.4	Very high	95.5	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-62	-35.6	176.4	-63.4	175.4	0	0	0	112.5	T140 L328 S329 K330 K335 L336 N445 K448 Q449	T140-L333 HydrophobicContact CG2-CD1 3.77Å; L328-L333 HydrophobicContact CB-CD2 3.96Å; L328-L333 HydrophobicContact CB-CG 4.34Å; L328-L333 HydrophobicContact CD1-CD2 4.31Å; S329-L333 WeakPolarHBondContact O-CG 3.27Å; S329-L333 PolarHBondContact O-N 3.26Å; K330-L333 WeakPolarHBondContact O-CB 3.45Å; K330-L333 PolarHBondContact O-N 2.9Å; K330-L333 VanDerWaalsContact O-N 3.12Å; L333-K335 PolarHBondContact O-N 3.24Å; L333-L336 HydrophobicContact CD2-CD1 3.97Å; L333-L336 PolarHBondContact O-N 3.48Å; L333-N445 HydrophobicContact CD1-CB 4.12Å; L333-K448 HydrophobicContact CB-CD 4.27Å; L333-K448 HydrophobicContact CD2-CB 4Å; L333-K448 PolarHBondContact O-NZ 2.9Å; L333-Q449 HydrophobicContact CD1-CG 3.74Å; L333-Q449 HydrophobicContact CD2-CG 4.01Å; L333-Q449 HydrophobicContact CG-CG 4.49Å
334	D	95.5	Very high	96.1	Very high	78 Å²	78	42 Å²	42	42%	0.417	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-22.1	177.2	-66.8	-23.3	0	0	0	112.6	K330 Q332	K330-D334 VanDerWaalsContact NZ-CG 3.33Å; K330-D334 IonicContact NZ-OD1 2.88Å; K330-D334 PolarHBondContact NZ-OD1 3.46Å; K330-D334 IonicContact NZ-OD2 2.89Å; K330-D334 PolarHBondContact NZ-OD2 2.98Å; K330-D334 VanDerWaalsContact O-CG 3.25Å; K330-D334 PolarHBondContact O-N 2.97Å; Q332-D334 VanDerWaalsContact C-N 3.29Å; Q332-D334 PolarHBondContact O-N 3.48Å
335	K	97.3	Very high	96.7	Very high	113 Å²	113	38.9 Å²	38.9	49%	0.491	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-9.9	177.6	-65.3	174.3	-176.1	-178.9	0	113.7	V312 E331 Q332 L333 I337	V312-K335 HydrophobicContact CG1-CB 4.43Å; V312-K335 HydrophobicContact CG1-CD 4.46Å; V312-K335 HydrophobicContact CG2-CB 3.83Å; E331-K335 WeakPolarHBondContact O-CG 3.38Å; Q332-K335 WeakPolarHBondContact O-CB 3.4Å; Q332-K335 PolarHBondContact O-N 2.85Å; Q332-K335 VanDerWaalsContact O-N 3.12Å; L333-K335 PolarHBondContact O-N 3.24Å; K335-I337 PolarHBondContact O-N 3.18Å; K335-I337 VanDerWaalsContact O-N 3.13Å
336	L	98.1	Very high	96.9	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.167	C	C	.	.			trans	-85.7	80	-178	-56	173.3	0	0	0	110.4	E308 I309 V312 L333 L339 E340 K448 C452	E308-L336 HydrophobicContact CG-CD2 3.95Å; E308-L336 WeakPolarHBondContact OE2-CA 3.49Å; I309-L336 HydrophobicContact CB-CD2 4.42Å; I309-L336 HydrophobicContact CG1-CD1 4.48Å; I309-L336 HydrophobicContact CG1-CD2 3.99Å; V312-L336 HydrophobicContact CB-CD2 4.08Å; V312-L336 HydrophobicContact CG1-CD2 4.42Å; V312-L336 HydrophobicContact CG2-CD2 3.78Å; L333-L336 HydrophobicContact CD2-CD1 3.97Å; L333-L336 PolarHBondContact O-N 3.48Å; L336-L339 HydrophobicContact CB-CB 3.87Å; L336-L339 HydrophobicContact CB-CD2 4.27Å; L336-L339 HydrophobicContact CD1-CD2 3.74Å; L336-E340 WeakPolarHBondContact O-CB 3.43Å; L336-E340 PolarHBondContact O-N 3.31Å; L336-K448 PolarHBondContact O-NZ 3.4Å; L336-C452 VanDerWaalsContact CD1-SG 3.54Å
337	I	97.9	Very high	97.2	Very high	56 Å²	56	34.1 Å²	34.1	29%	0.287	17%	0.167	S	C	.	.	H	α-helix	trans	-75.1	-46.8	-172.3	-61.3	175.5	0	0	0	111	E308 K335 E340 S341 V407 G410	E308-I337 PolarHBondContact OE1-N 3.12Å; K335-I337 PolarHBondContact O-N 3.18Å; K335-I337 VanDerWaalsContact O-N 3.13Å; I337-E340 PolarHBondContact O-N 2.95Å; I337-S341 WeakPolarHBondContact O-CB 3.32Å; I337-S341 PolarHBondContact O-N 3.28Å; I337-V407 HydrophobicContact CG2-CG1 4.33Å; I337-V407 HydrophobicContact CG2-CG2 4.08Å; I337-G410 WeakPolarHBondContact CD1-O 3.48Å
338	F	98.5	Very high	97.4	Very high	61 Å²	61	29.4 Å²	29.4	27%	0.268	14%	0.144	S	C	.	.	H	α-helix	trans	-67.3	-39.2	176.8	-73.8	-77.9	0	0	0	111.4	V304 V305 E308 S341 A342 F403 D404 V407	V304-F338 HydrophobicContact CG1-CD1 4.16Å; V304-F338 HydrophobicContact CG1-CD2 4.19Å; V304-F338 HydrophobicContact CG1-CE1 4.4Å; V304-F338 HydrophobicContact CG1-CE2 4.44Å; V304-F338 HydrophobicContact CG1-CG 4.04Å; V305-F338 HydrophobicContact CG2-CB 4.09Å; E308-F338 WeakPolarHBondContact OE1-CD2 3.38Å; E308-F338 PolarHBondContact OE1-N 3.35Å; E308-F338 PolarHBondContact OE2-N 2.99Å; F338-S341 PolarHBondContact O-N 2.99Å; F338-A342 WeakPolarHBondContact O-CB 3.4Å; F338-A342 PolarHBondContact O-N 3.29Å; F338-F403 HydrophobicContact CD1-CD2 4Å; F338-F403 AromaticContact CD1-CE2 3.56Å; F338-F403 HydrophobicContact CD1-CE2 3.56Å; F338-F403 HydrophobicContact CE1-CE2 4.07Å; F338-F403 HydrophobicContact CG-CE2 4.37Å; F338-D404 HydrophobicContact CD1-CB 4.45Å; F338-D404 HydrophobicContact CE1-CB 4.25Å; F338-V407 HydrophobicContact CD1-CG2 3.97Å; F338-V407 HydrophobicContact CE1-CB 4.35Å; F338-V407 HydrophobicContact CE1-CG1 4.05Å; F338-V407 HydrophobicContact CE1-CG2 4.18Å; F338-V407 HydrophobicContact CZ-CG1 4.19Å
339	L	98.7	Very high	97.6	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-62	-43.2	172.7	-178	56.8	0	0	0	111.8	L295 V305 E308 L336 S341 A342 I343 K448 V451	L295-L339 HydrophobicContact CD1-CD1 4.27Å; V305-L339 HydrophobicContact CG1-CB 3.91Å; V305-L339 HydrophobicContact CG1-CD1 3.76Å; V305-L339 HydrophobicContact CG1-CG 4.34Å; E308-L339 PolarHBondContact OE2-N 3.24Å; L336-L339 HydrophobicContact CB-CB 3.87Å; L336-L339 HydrophobicContact CB-CD2 4.27Å; L336-L339 HydrophobicContact CD1-CD2 3.74Å; L339-S341 VanDerWaalsContact C-N 3.34Å; L339-S341 PolarHBondContact O-N 2.91Å; L339-A342 PolarHBondContact O-N 2.81Å; L339-I343 HydrophobicContact CD1-CD1 4.06Å; L339-I343 HydrophobicContact CD1-CG1 4.3Å; L339-I343 HydrophobicContact CG-CD1 3.98Å; L339-I343 WeakPolarHBondContact O-CG1 3.26Å; L339-I343 PolarHBondContact O-N 3.09Å; L339-K448 HydrophobicContact CD2-CB 3.93Å; L339-K448 HydrophobicContact CD2-CG 3.88Å; L339-K448 HydrophobicContact CG-CG 4.13Å; L339-V451 HydrophobicContact CD1-CB 3.99Å; L339-V451 HydrophobicContact CD1-CG1 3.49Å; L339-V451 VanDerWaalsContact CD1-CG1 3.49Å
340	E	98.6	Very high	97.8	Very high	64 Å²	64	28.4 Å²	28.4	30%	0.299	14%	0.136	S	C	.	.	H	α-helix	trans	-62.7	-41.5	177	-169.7	151.6	159.8	0	0	112.2	L336 I337 I343 S344 K448	L336-E340 WeakPolarHBondContact O-CB 3.43Å; L336-E340 PolarHBondContact O-N 3.31Å; I337-E340 PolarHBondContact O-N 2.95Å; E340-I343 PolarHBondContact O-N 2.89Å; E340-S344 VanDerWaalsContact O-CB 3.28Å; E340-S344 WeakPolarHBondContact O-CB 3.32Å; E340-S344 PolarHBondContact O-N 3.46Å; E340-S344 PolarHBondContact O-OG 3.24Å; E340-K448 WeakPolarHBondContact OE2-CE 3.38Å; E340-K448 IonicContact OE2-NZ 3.77Å; E340-K448 PolarHBondContact OE2-NZ 3.43Å
341	S	98.8	Very high	98	Very high	2 Å²	2	25.8 Å²	25.8	1%	0.014	12%	0.124	C	C	.	.	H	α-helix	trans	-63.7	-42.5	174.8	174.3	0	0	0	0	111.7	I337 F338 L339 I343 S344 E345 F403 R405 F406 V407	I337-S341 WeakPolarHBondContact O-CB 3.32Å; I337-S341 PolarHBondContact O-N 3.28Å; F338-S341 PolarHBondContact O-N 2.99Å; L339-S341 VanDerWaalsContact C-N 3.34Å; L339-S341 PolarHBondContact O-N 2.91Å; S341-I343 PolarHBondContact O-N 3.18Å; S341-S344 PolarHBondContact O-N 3.35Å; S341-E345 WeakPolarHBondContact O-CB 3.44Å; S341-E345 PolarHBondContact O-N 3.27Å; S341-F403 CarbonylContact C-O 3.55Å; S341-F403 WeakPolarHBondContact CB-O 3.24Å; S341-F403 PolarHBondContact OG-O 2.91Å; S341-R405 PolarHBondContact OG-N 3.12Å; S341-F406 PolarHBondContact OG-N 3.13Å; S341-V407 VanDerWaalsContact CB-CG2 3.48Å
342	A	98.8	Very high	98.1	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-62.6	-41.5	176.6	0	0	0	0	0	112.3	L295 F338 L339 S346 F401 F403	L295-A342 HydrophobicContact CD1-CB 4.46Å; L295-A342 HydrophobicContact CD2-CB 3.84Å; L295-A342 HydrophobicContact CG-CB 4.32Å; F338-A342 WeakPolarHBondContact O-CB 3.4Å; F338-A342 PolarHBondContact O-N 3.29Å; L339-A342 PolarHBondContact O-N 2.81Å; A342-S346 WeakPolarHBondContact O-CB 3.17Å; A342-S346 PolarHBondContact O-N 2.88Å; A342-S346 PolarHBondContact O-OG 2.8Å; A342-F401 HydrophobicContact CB-CZ 4.15Å; A342-F401 WeakPolarHBondContact O-CE2 3.4Å; A342-F403 HydrophobicContact CB-CB 4.11Å; A342-F403 PolarHBondContact N-O 3.22Å
343	I	98.8	Very high	97.9	Very high	2 Å²	2	20.6 Å²	20.6	1%	0.01	10%	0.102	C	C	.	.	H	α-helix	trans	-66.2	-46	174.7	-67.3	165	0	0	0	110.2	A291 L339 E340 S341 E345 S346 L347 I444 I447 K448	A291-I343 HydrophobicContact CB-CG1 4.19Å; L339-I343 HydrophobicContact CD1-CD1 4.06Å; L339-I343 HydrophobicContact CD1-CG1 4.3Å; L339-I343 HydrophobicContact CG-CD1 3.98Å; L339-I343 WeakPolarHBondContact O-CG1 3.26Å; L339-I343 PolarHBondContact O-N 3.09Å; E340-I343 PolarHBondContact O-N 2.89Å; S341-I343 PolarHBondContact O-N 3.18Å; I343-E345 VanDerWaalsContact C-N 3.3Å; I343-E345 PolarHBondContact O-N 3Å; I343-S346 WeakPolarHBondContact O-CB 3.18Å; I343-S346 PolarHBondContact O-N 3.15Å; I343-S346 VanDerWaalsContact O-N 3.14Å; I343-L347 HydrophobicContact CG2-CD1 4.07Å; I343-L347 HydrophobicContact CG2-CG 4.38Å; I343-L347 VanDerWaalsContact O-CG 3.32Å; I343-L347 WeakPolarHBondContact O-CG 3.4Å; I343-L347 PolarHBondContact O-N 3.34Å; I343-I444 HydrophobicContact CG2-CD1 3.8Å; I343-I447 HydrophobicContact CD1-CB 4.34Å; I343-I447 HydrophobicContact CD1-CG2 3.71Å; I343-I447 HydrophobicContact CG1-CG2 3.86Å; I343-I447 HydrophobicContact CG2-CG2 4.18Å; I343-K448 HydrophobicContact CD1-CB 4.3Å; I343-K448 HydrophobicContact CD1-CG 3.44Å; I343-K448 VanDerWaalsContact CD1-CG 3.44Å
344	S	98.8	Very high	97.7	Very high	16 Å²	16	22.5 Å²	22.5	11%	0.112	11%	0.112	C	C	.	.	H	α-helix	trans	-58.2	-41.9	177.4	-67.2	0	0	0	0	112.2	E340 S341 L347 R348	E340-S344 VanDerWaalsContact O-CB 3.28Å; E340-S344 WeakPolarHBondContact O-CB 3.32Å; E340-S344 PolarHBondContact O-N 3.46Å; E340-S344 PolarHBondContact O-OG 3.24Å; S341-S344 PolarHBondContact O-N 3.35Å; S344-L347 PolarHBondContact O-N 3.46Å; S344-R348 WeakPolarHBondContact O-CB 3.3Å; S344-R348 PolarHBondContact O-N 3.5Å
345	E	98.8	Very high	97.5	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-67.2	-40.4	175.3	178.9	68	169.1	0	0	112.6	S341 I343 L347 R348 L349 F401 R402 R405 F406	S341-E345 WeakPolarHBondContact O-CB 3.44Å; S341-E345 PolarHBondContact O-N 3.27Å; I343-E345 VanDerWaalsContact C-N 3.3Å; I343-E345 PolarHBondContact O-N 3Å; E345-L347 VanDerWaalsContact C-N 3.3Å; E345-L347 PolarHBondContact O-N 2.91Å; E345-R348 WeakPolarHBondContact O-CB 3.26Å; E345-R348 PolarHBondContact O-N 2.88Å; E345-R348 IonicContact OE1-CZ 2.93Å; E345-R348 IonicContact OE1-NE 3.43Å; E345-R348 IonicContact OE1-NH2 3.24Å; E345-R348 PolarHBondContact OE1-NH2 2.87Å; E345-R348 IonicContact OE2-CZ 3.58Å; E345-R348 IonicContact OE2-NE 3.83Å; E345-R348 PolarHBondContact OE2-NE 3.16Å; E345-R348 IonicContact OE2-NH2 3.82Å; E345-R348 PolarHBondContact OE2-NH2 3.24Å; E345-L349 HydrophobicContact CG-CD1 4.47Å; E345-L349 PolarHBondContact O-N 2.82Å; E345-F401 HydrophobicContact CB-CD2 4.1Å; E345-F401 HydrophobicContact CB-CE2 3.82Å; E345-F401 HydrophobicContact CG-CD2 3.33Å; E345-F401 HydrophobicContact CG-CE2 3.57Å; E345-F401 HydrophobicContact CG-CG 4.1Å; E345-R402 WeakPolarHBondContact CG-O 3.19Å; E345-R402 PolarHBondContact OE1-N 3.32Å; E345-R402 VanDerWaalsContact OE1-N 3.12Å; E345-R405 IonicContact OE1-CZ 3Å; E345-R405 IonicContact OE1-NE 3.71Å; E345-R405 PolarHBondContact OE1-NE 3.21Å; E345-R405 IonicContact OE1-NH2 2.74Å; E345-R405 PolarHBondContact OE1-NH2 3Å; E345-R405 WeakPolarHBondContact OE2-CD 3.34Å; E345-R405 IonicContact OE2-NE 3.69Å; E345-R405 PolarHBondContact OE2-NE 3.04Å; E345-F406 HydrophobicContact CB-CD2 4.38Å; E345-F406 HydrophobicContact CB-CE2 4.12Å
346	S	98.8	Very high	97.1	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.007	8%	0.076	C	C	.	.	H	α-helix	trans	-60.8	-42.9	174.9	-57.3	0	0	0	0	110.9	A291 A342 I343 L349 S350 F401	A291-S346 WeakPolarHBondContact CA-OG 3.22Å; A342-S346 WeakPolarHBondContact O-CB 3.17Å; A342-S346 PolarHBondContact O-N 2.88Å; A342-S346 PolarHBondContact O-OG 2.8Å; I343-S346 WeakPolarHBondContact O-CB 3.18Å; I343-S346 PolarHBondContact O-N 3.15Å; I343-S346 VanDerWaalsContact O-N 3.14Å; S346-L349 PolarHBondContact O-N 2.64Å; S346-S350 WeakPolarHBondContact O-CB 3.29Å; S346-S350 PolarHBondContact O-N 2.88Å; S346-S350 VanDerWaalsContact O-N 3.09Å; S346-S350 PolarHBondContact O-OG 2.81Å; S346-F401 WeakPolarHBondContact OG-CE2 3.27Å
347	L	98.8	Very high	96.7	Very high	4 Å²	4	15.7 Å²	15.7	2%	0.021	8%	0.079	C	C	.	.	H	α-helix	trans	-68.1	-38.1	175.9	-66.9	174.8	0	0	0	112.2	A287 I343 S344 E345 L349 S350 S351 P429 F430 I444 I480	A287-L347 HydrophobicContact CB-CD2 3.78Å; I343-L347 HydrophobicContact CG2-CD1 4.07Å; I343-L347 HydrophobicContact CG2-CG 4.38Å; I343-L347 VanDerWaalsContact O-CG 3.32Å; I343-L347 WeakPolarHBondContact O-CG 3.4Å; I343-L347 PolarHBondContact O-N 3.34Å; S344-L347 PolarHBondContact O-N 3.46Å; E345-L347 VanDerWaalsContact C-N 3.3Å; E345-L347 PolarHBondContact O-N 2.91Å; L347-L349 VanDerWaalsContact C-N 3.29Å; L347-L349 PolarHBondContact O-N 3.17Å; L347-S350 PolarHBondContact O-N 3.01Å; L347-S351 WeakPolarHBondContact O-CB 3.4Å; L347-S351 PolarHBondContact O-N 3.42Å; L347-P429 HydrophobicContact CB-CB 3.87Å; L347-P429 HydrophobicContact CB-CG 3.95Å; L347-P429 HydrophobicContact CD1-CB 4.26Å; L347-P429 HydrophobicContact CD1-CG 3.93Å; L347-P429 HydrophobicContact CD2-CB 4.49Å; L347-P429 HydrophobicContact CG-CB 4.44Å; L347-F430 HydrophobicContact CD1-CE2 3.93Å; L347-F430 HydrophobicContact CD1-CZ 3.94Å; L347-I444 HydrophobicContact CD1-CD1 4.12Å; L347-I480 HydrophobicContact CD2-CD1 3.6Å; L347-I480 HydrophobicContact CD2-CG1 4.07Å
348	R	98.7	Very high	96.3	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-57.7	-43.4	174.5	-172.1	-169.6	65	75.1	1.7	111.1	S344 E345 H389 Y395 P398 L427	S344-R348 WeakPolarHBondContact O-CB 3.3Å; S344-R348 PolarHBondContact O-N 3.5Å; E345-R348 WeakPolarHBondContact O-CB 3.26Å; E345-R348 PolarHBondContact O-N 2.88Å; E345-R348 IonicContact OE1-CZ 2.93Å; E345-R348 IonicContact OE1-NE 3.43Å; E345-R348 IonicContact OE1-NH2 3.24Å; E345-R348 PolarHBondContact OE1-NH2 2.87Å; E345-R348 IonicContact OE2-CZ 3.58Å; E345-R348 IonicContact OE2-NE 3.83Å; E345-R348 PolarHBondContact OE2-NE 3.16Å; E345-R348 IonicContact OE2-NH2 3.82Å; E345-R348 PolarHBondContact OE2-NH2 3.24Å; R348-H389 HydrophobicContact CG-CB 3.65Å; R348-H389 PolarHBondContact NH1-O 3.19Å; R348-H389 WeakPolarHBondContact O-CB 3.37Å; R348-Y395 HydrophobicContact CG-CE2 4.5Å; R348-P398 VanDerWaalsContact CZ-O 3.22Å; R348-P398 PolarHBondContact NH1-O 3.01Å; R348-P398 PolarHBondContact NH2-O 3.23Å; R348-L427 HydrophobicContact CB-CD1 3.79Å; R348-L427 HydrophobicContact CG-CD1 4.21Å
349	L	98.4	Very high	96	Very high	15 Å²	15	10.9 Å²	10.9	8%	0.079	6%	0.057	C	C	.	.	H	α-helix	trans	-77.1	-29.7	-177.8	-73.7	173.5	0	0	0	113.9	F294 E345 S346 L347 L390 P398 F401 L471	F294-L349 HydrophobicContact CE1-CD1 4.1Å; F294-L349 HydrophobicContact CE2-CB 4.14Å; F294-L349 HydrophobicContact CE2-CD1 4.05Å; F294-L349 HydrophobicContact CZ-CB 4.1Å; F294-L349 HydrophobicContact CZ-CD1 3.74Å; E345-L349 HydrophobicContact CG-CD1 4.47Å; E345-L349 PolarHBondContact O-N 2.82Å; S346-L349 PolarHBondContact O-N 2.64Å; L347-L349 VanDerWaalsContact C-N 3.29Å; L347-L349 PolarHBondContact O-N 3.17Å; L349-L390 HydrophobicContact CD2-CD2 4.19Å; L349-P398 WeakPolarHBondContact CD2-O 3.37Å; L349-F401 HydrophobicContact CD1-CB 3.75Å; L349-F401 HydrophobicContact CD1-CD2 4.05Å; L349-F401 HydrophobicContact CD1-CG 4.42Å; L349-L471 WeakPolarHBondContact O-CD1 3.1Å
350	S	98.1	Very high	95.6	Very high	1 Å²	1	13.9 Å²	13.9	1%	0.007	7%	0.071	C	C	.	.	H	α-helix	trans	-105.8	-14.8	-171.5	59.9	0	0	0	0	114.8	S346 L347 I480 L481	S346-S350 WeakPolarHBondContact O-CB 3.29Å; S346-S350 PolarHBondContact O-N 2.88Å; S346-S350 VanDerWaalsContact O-N 3.09Å; S346-S350 PolarHBondContact O-OG 2.81Å; L347-S350 PolarHBondContact O-N 3.01Å; S350-I480 WeakPolarHBondContact OG-CG2 3.29Å; S350-L481 PolarHBondContact O-N 3.4Å
351	S	97.8	Very high	95.3	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.007	8%	0.079	C	C	.	.	B	Isolated β-bridge	trans	-75.6	129.3	179.5	-172.9	0	0	0	0	111.7	L347 S353 Q386	L347-S351 WeakPolarHBondContact O-CB 3.4Å; L347-S351 PolarHBondContact O-N 3.42Å; S351-S353 PolarHBondContact OG-N 2.91Å; S351-S353 PolarHBondContact OG-OG 3.39Å; S351-Q386 WeakPolarHBondContact O-CB 3.5Å; S351-Q386 WeakPolarHBondContact O-CG 3.48Å; S351-Q386 PolarHBondContact O-NE2 2.65Å
352	A	96	Very high	95.1	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.104	C	C	.	.			trans	-125.9	30.3	167.7	0	0	0	0	0	111	G477 G479 L481	A352-G477 WeakPolarHBondContact O-CA 3.48Å; A352-G477 PolarHBondContact O-N 3.36Å; A352-G479 CarbonylContact C-O 3.55Å; A352-G479 PolarHBondContact N-O 3.37Å; A352-L481 HydrophobicContact CB-CD1 3.69Å; A352-L481 HydrophobicContact CB-CD2 3.71Å; A352-L481 HydrophobicContact CB-CG 3.64Å
353	S	93.4	Very high	94.9	Very high	18 Å²	18	21 Å²	21	13%	0.126	11%	0.108	C	C	.	.	B	Isolated β-bridge	trans	-58.1	136.2	179.4	-59.3	0	0	0	0	111.1	S351 P385 P429 G479	S351-S353 PolarHBondContact OG-N 2.91Å; S351-S353 PolarHBondContact OG-OG 3.39Å; S353-P385 WeakPolarHBondContact O-CD 3.4Å; S353-P429 PolarHBondContact OG-O 2.84Å; S353-G479 PolarHBondContact N-O 2.87Å; S353-G479 VanDerWaalsContact OG-CA 3.31Å; S353-G479 WeakPolarHBondContact OG-CA 3.43Å
354	M	92.3	Very high	94.7	Very high	40 Å²	40	24.1 Å²	24.1	20%	0.197	13%	0.129	C	C	.	.			trans	-97.9	126.3	164.8	-83.2	-170	-69.8	0	0	109.8	F46 M74 F76 I356 Y384 G477	F46-M354 HydrophobicContact CE1-CE 4.16Å; F46-M354 HydrophobicContact CZ-CE 3.96Å; F46-M354 HydrophobicContact CZ-SD 3.87Å; M74-M354 HydrophobicContact CE-CE 4.12Å; M74-M354 HydrophobicContact CE-SD 3.72Å; F76-M354 HydrophobicContact CE1-SD 3.88Å; F76-M354 HydrophobicContact CZ-SD 4.18Å; M354-I356 HydrophobicContact CB-CG2 3.86Å; M354-I356 PolarHBondContact O-N 3.25Å; M354-Y384 HydrophobicContact CG-CD2 3.75Å; M354-Y384 HydrophobicContact CG-CE2 4.2Å; M354-G477 PolarHBondContact N-O 3.41Å
355	N	91.6	Very high	94.5	Very high	10 Å²	10	23.4 Å²	23.4	5%	0.053	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	102.3	171.7	-164.4	-41	0	0	0	108.9	R357 A382 L383 S432 S435	N355-R357 PolarHBondContact OD1-NH1 2.86Å; N355-A382 WeakPolarHBondContact O-CA 3.28Å; N355-L383 HydrophobicContact CB-CB 3.99Å; N355-L383 HydrophobicContact CB-CD1 4.17Å; N355-L383 HydrophobicContact CB-CG 4.18Å; N355-L383 PolarHBondContact N-O 3.47Å; N355-L383 PolarHBondContact O-N 3.32Å; N355-S432 PolarHBondContact ND2-N 3.18Å; N355-S432 PolarHBondContact ND2-OG 3.03Å; N355-S435 PolarHBondContact OD1-OG 3.43Å
356	I	90.3	Very high	94.3	Very high	21 Å²	21	30.1 Å²	30.1	11%	0.108	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	148.1	-170.4	63.9	171.9	0	0	0	113	F95 F98 M354 V380 I381 A382	F95-I356 HydrophobicContact CD2-CG1 4.11Å; F95-I356 WeakPolarHBondContact CD2-O 3.14Å; F95-I356 HydrophobicContact CE2-CD1 4.48Å; F95-I356 HydrophobicContact CE2-CG1 3.91Å; F98-I356 HydrophobicContact CB-CD1 4.35Å; F98-I356 HydrophobicContact CD1-CD1 3.82Å; F98-I356 HydrophobicContact CD2-CD1 3.59Å; F98-I356 HydrophobicContact CE1-CD1 3.94Å; F98-I356 HydrophobicContact CE2-CD1 3.71Å; F98-I356 HydrophobicContact CG-CD1 3.65Å; F98-I356 HydrophobicContact CZ-CD1 3.88Å; M354-I356 HydrophobicContact CB-CG2 3.86Å; M354-I356 PolarHBondContact O-N 3.25Å; I356-V380 HydrophobicContact CB-CG1 3.94Å; I356-V380 HydrophobicContact CG2-CG1 4.07Å; I356-I381 CarbonylContact C-O 3.53Å; I356-I381 VanDerWaalsContact CA-O 3.31Å; I356-I381 WeakPolarHBondContact CA-O 3.46Å; I356-A382 HydrophobicContact CG2-CB 4.33Å
357	R	88.6	Confident	94.1	Very high	18 Å²	18	30.4 Å²	30.4	7%	0.068	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	151.7	166.3	-66	-66.5	-179.4	-73.6	0	109.7	L93 N355 V380 I381 S432 S434 S435	L93-R357 HydrophobicContact CB-CB 3.8Å; L93-R357 HydrophobicContact CB-CG 4.05Å; L93-R357 HydrophobicContact CD1-CB 4.35Å; L93-R357 HydrophobicContact CD1-CG 4.49Å; L93-R357 HydrophobicContact CD2-CB 4.06Å; L93-R357 HydrophobicContact CG-CB 4.3Å; N355-R357 PolarHBondContact OD1-NH1 2.86Å; R357-V380 CarbonylContact O-C 3.56Å; R357-V380 VanDerWaalsContact O-CA 3.31Å; R357-V380 WeakPolarHBondContact O-CA 3.17Å; R357-I381 PolarHBondContact N-O 3.25Å; R357-I381 PolarHBondContact O-N 3.02Å; R357-S432 PolarHBondContact NH2-O 3.19Å; R357-S434 PolarHBondContact NE-OG 2.86Å; R357-S434 PolarHBondContact NH2-OG 3.26Å; R357-S435 VanDerWaalsContact CZ-OG 3.32Å; R357-S435 PolarHBondContact NH1-OG 3.04Å; R357-S435 VanDerWaalsContact NH2-N 3.1Å; R357-S435 PolarHBondContact NH2-OG 3.49Å
358	V	89.9	Confident	93.7	Very high	16 Å²	16	32 Å²	32	10%	0.097	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	128.8	176.2	-174.4	0	0	0	0	109.6	D94 E97 Q360	D94-V358 PolarHBondContact N-O 3.37Å; D94-V358 PolarHBondContact O-N 3.38Å; E97-V358 WeakPolarHBondContact OE2-CG1 3.5Å; V358-Q360 PolarHBondContact O-N 3.16Å; V358-Q360 PolarHBondContact O-NE2 3.09Å; V358-Q360 VanDerWaalsContact O-NE2 3.07Å
359	A	92.2	Very high	93.2	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	122.9	175	0	0	0	0	0	111.1	F363 V375 R376 G378 D379	A359-F363 HydrophobicContact CB-CD1 4.43Å; A359-F363 HydrophobicContact CB-CE1 3.82Å; A359-V375 HydrophobicContact CB-CG1 3.62Å; A359-R376 VanDerWaalsContact CB-O 3.31Å; A359-R376 WeakPolarHBondContact CB-O 3.47Å; A359-G378 PolarHBondContact O-N 2.97Å; A359-D379 PolarHBondContact N-O 2.71Å
360	Q	90.3	Very high	92.9	Very high	62 Å²	62	43.3 Å²	43.3	29%	0.29	23%	0.228	S	C	.	.	S	Bend	trans	-84.5	-19.5	-176.8	-62.7	-53.7	-59.9	0	0	113.7	Q92 D94 E97 V358 K377	Q92-Q360 PolarHBondContact O-N 2.94Å; D94-Q360 HydrophobicContact CB-CG 3.93Å; E97-Q360 PolarHBondContact OE2-NE2 3.32Å; E97-Q360 PolarHBondContact OE2-OE1 3.38Å; V358-Q360 PolarHBondContact O-N 3.16Å; V358-Q360 PolarHBondContact O-NE2 3.09Å; V358-Q360 VanDerWaalsContact O-NE2 3.07Å; Q360-K377 WeakPolarHBondContact O-CD 3.26Å; Q360-K377 WeakPolarHBondContact O-CE 3.24Å; Q360-K377 WeakPolarHBondContact O-CG 3.42Å
361	E	92.6	Very high	92.7	Very high	97 Å²	97	49.2 Å²	49.2	45%	0.453	25%	0.25	S	S	.	.	S	Bend	trans	-148.4	168.4	179.7	59.2	-177.1	-168.7	0	0	109.9	Q92 F363 K377	Q92-E361 HydrophobicContact CG-CG 4.44Å; Q92-E361 WeakPolarHBondContact CG-OE1 3.48Å; Q92-E361 PolarHBondContact NE2-OE1 2.74Å; E361-F363 HydrophobicContact CG-CB 4.5Å; E361-F363 WeakPolarHBondContact O-CD1 3.47Å; E361-K377 PolarHBondContact O-N 3.33Å
362	D	95.1	Very high	92.6	Very high	101 Å²	101	52.5 Å²	52.5	54%	0.54	27%	0.273	S	S	.	.	S	Bend	trans	-72	125.7	168.1	-75.7	14.8	0	0	0	108.2	V375 R376 K377	D362-V375 WeakPolarHBondContact CA-O 3.44Å; D362-R376 VanDerWaalsContact OD1-CA 3.3Å; D362-R376 WeakPolarHBondContact OD1-CA 3.38Å; D362-K377 PolarHBondContact OD1-N 2.97Å
363	F	94.8	Very high	92.6	Very high	19 Å²	19	53.5 Å²	53.5	8%	0.083	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	169.6	-178	78.2	-69.8	0	0	0	113	Q92 L93 A359 E361 L365 V375	Q92-F363 HydrophobicContact CB-CD1 4.32Å; Q92-F363 HydrophobicContact CB-CD2 4.12Å; Q92-F363 HydrophobicContact CB-CE1 4.3Å; Q92-F363 HydrophobicContact CB-CE2 4.1Å; Q92-F363 HydrophobicContact CB-CG 4.23Å; Q92-F363 HydrophobicContact CB-CZ 4.2Å; Q92-F363 HydrophobicContact CG-CD2 4.43Å; Q92-F363 VanDerWaalsContact OE1-CD2 3.27Å; L93-F363 HydrophobicContact CD2-CE1 4.16Å; L93-F363 HydrophobicContact CD2-CZ 3.77Å; L93-F363 HydrophobicContact CG-CZ 4.05Å; A359-F363 HydrophobicContact CB-CD1 4.43Å; A359-F363 HydrophobicContact CB-CE1 3.82Å; E361-F363 HydrophobicContact CG-CB 4.5Å; E361-F363 WeakPolarHBondContact O-CD1 3.47Å; F363-L365 HydrophobicContact CE2-CB 4.02Å; F363-L365 HydrophobicContact CE2-CD1 3.85Å; F363-L365 HydrophobicContact CZ-CB 4.19Å; F363-L365 HydrophobicContact CZ-CD1 3.79Å; F363-V375 HydrophobicContact CD1-CB 4.15Å; F363-V375 HydrophobicContact CD1-CG1 4.35Å; F363-V375 HydrophobicContact CE1-CB 3.87Å; F363-V375 HydrophobicContact CE1-CG1 3.79Å; F363-V375 HydrophobicContact CZ-CB 4.46Å; F363-V375 PolarHBondContact N-O 3.02Å; F363-V375 PolarHBondContact O-N 3.27Å
364	S	94.5	Very high	92.8	Very high	67 Å²	67	53.7 Å²	53.7	47%	0.469	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	107.9	171.7	-163.8	0	0	0	0	110	R366 S372 V373	S364-R366 PolarHBondContact O-N 3.23Å; S364-S372 WeakPolarHBondContact OG-CB 3.29Å; S364-S372 PolarHBondContact OG-OG 2.98Å; S364-V373 CarbonylContact C-O 3.49Å; S364-V373 WeakPolarHBondContact CA-O 3.29Å
365	L	94.6	Very high	93	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	120.4	175.8	-178.5	73.8	0	0	0	109.1	I77 I86 L93 F363 L367 S372 V373 V375 I381	I77-L365 HydrophobicContact CD1-CD2 4.21Å; I86-L365 HydrophobicContact CD1-CD1 4.01Å; I86-L365 HydrophobicContact CD1-CD2 3.96Å; I86-L365 HydrophobicContact CD1-CG 3.93Å; L93-L365 HydrophobicContact CD1-CD1 4.03Å; F363-L365 HydrophobicContact CE2-CB 4.02Å; F363-L365 HydrophobicContact CE2-CD1 3.85Å; F363-L365 HydrophobicContact CZ-CB 4.19Å; F363-L365 HydrophobicContact CZ-CD1 3.79Å; L365-L367 HydrophobicContact CD2-CD2 4.17Å; L365-L367 HydrophobicContact CG-CD2 4.45Å; L365-L367 PolarHBondContact O-N 3.21Å; L365-S372 CarbonylContact O-C 3.49Å; L365-S372 WeakPolarHBondContact O-CA 3.39Å; L365-S372 WeakPolarHBondContact O-CB 3.36Å; L365-V373 HydrophobicContact CB-CG2 4.05Å; L365-V373 HydrophobicContact CD2-CG2 4.22Å; L365-V373 PolarHBondContact N-O 3.36Å; L365-V373 PolarHBondContact O-N 3.38Å; L365-V375 HydrophobicContact CB-CG2 3.63Å; L365-V375 HydrophobicContact CD2-CG2 4.15Å; L365-V375 HydrophobicContact CG-CG2 4.48Å; L365-I381 HydrophobicContact CD2-CD1 4.19Å; L365-I381 HydrophobicContact CD2-CG1 4.48Å; L365-I381 HydrophobicContact CD2-CG2 4.26Å
366	R	94.3	Very high	93.1	Very high	142 Å²	142	53.7 Å²	53.7	54%	0.536	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	115.7	-178.9	-174.4	175.2	63.8	164.8	0.8	108.8	Q89 S364 D368	Q89-R366 PolarHBondContact OE1-O 2.93Å; S364-R366 PolarHBondContact O-N 3.23Å; R366-D368 WeakPolarHBondContact CD-O 3.45Å; R366-D368 WeakPolarHBondContact CG-O 3.48Å
367	L	93.6	Very high	93.3	Very high	7 Å²	7	59.5 Å²	59.5	4%	0.037	31%	0.306	C	S	.	.			trans	-80.8	-48.4	179.3	-57.2	-179.3	0	0	0	110.2	V64 I77 L82 S85 I86 L365 R371 V373	V64-L367 HydrophobicContact CG2-CD1 3.83Å; V64-L367 HydrophobicContact CG2-CD2 4.14Å; I77-L367 HydrophobicContact CD1-CD2 3.98Å; L82-L367 HydrophobicContact CD1-CB 4.36Å; L82-L367 HydrophobicContact CD2-CB 4.28Å; S85-L367 WeakPolarHBondContact CB-O 3.48Å; S85-L367 PolarHBondContact OG-O 3.41Å; S85-L367 VanDerWaalsContact OG-O 3.12Å; I86-L367 HydrophobicContact CD1-CD2 4.1Å; L365-L367 HydrophobicContact CD2-CD2 4.17Å; L365-L367 HydrophobicContact CG-CD2 4.45Å; L365-L367 PolarHBondContact O-N 3.21Å; L367-R371 HydrophobicContact CB-CB 4.26Å; L367-R371 HydrophobicContact CD1-CB 4.34Å; L367-R371 PolarHBondContact N-O 3.45Å; L367-V373 HydrophobicContact CD1-CG1 3.88Å; L367-V373 HydrophobicContact CD1-CG2 4.5Å; L367-V373 HydrophobicContact CD2-CG2 4.12Å; L367-V373 HydrophobicContact CG-CG2 4.4Å
368	D	90.8	Very high	93.3	Very high	37 Å²	37	60.5 Å²	60.5	20%	0.198	32%	0.322	C	S	.	.	S	Bend	trans	-149.6	-162.7	177.8	58.5	48.7	0	0	0	110.9	L82 R366 N370 R371	L82-D368 HydrophobicContact CD2-CB 4.29Å; R366-D368 WeakPolarHBondContact CD-O 3.45Å; R366-D368 WeakPolarHBondContact CG-O 3.48Å; D368-N370 PolarHBondContact O-N 2.88Å; D368-N370 PolarHBondContact OD1-N 3.44Å; D368-R371 PolarHBondContact N-O 2.81Å; D368-R371 WeakPolarHBondContact OD1-CB 3.49Å; D368-R371 PolarHBondContact OD1-N 3.46Å; D368-R371 IonicContact OD1-NE 4Å; D368-R371 IonicContact OD2-CZ 3.7Å; D368-R371 IonicContact OD2-NE 2.71Å; D368-R371 PolarHBondContact OD2-NE 2.99Å; D368-R371 IonicContact OD2-NH2 3.82Å; D368-R371 PolarHBondContact OD2-NH2 3.37Å
369	S	88.3	Confident	93.5	Very high	105 Å²	105	60.1 Å²	60.1	73%	0.734	32%	0.32	S	S	*	.	S	Bend	trans	-63.6	-26.3	-178.9	58.8	0	0	0	0	113.8
370	N	91.6	Very high	93.5	Very high	148 Å²	148	60.9 Å²	60.9	79%	0.791	32%	0.324	S	S	*	.	S	Bend	trans	-120.2	-17.9	-168.4	-60.9	-20.1	0	0	0	113	D368	D368-N370 PolarHBondContact O-N 2.88Å; D368-N370 PolarHBondContact OD1-N 3.44Å
371	R	94.4	Very high	93.8	Very high	125 Å²	125	58.1 Å²	58.1	47%	0.472	31%	0.311	S	S	.	.			trans	-117	138.8	-175.2	-62.1	-173.9	-64	168.8	-0.2	112.5	L367 D368	L367-R371 HydrophobicContact CB-CB 4.26Å; L367-R371 HydrophobicContact CD1-CB 4.34Å; L367-R371 PolarHBondContact N-O 3.45Å; D368-R371 PolarHBondContact N-O 2.81Å; D368-R371 WeakPolarHBondContact OD1-CB 3.49Å; D368-R371 PolarHBondContact OD1-N 3.46Å; D368-R371 IonicContact OD1-NE 4Å; D368-R371 IonicContact OD2-CZ 3.7Å; D368-R371 IonicContact OD2-NE 2.71Å; D368-R371 PolarHBondContact OD2-NE 2.99Å; D368-R371 IonicContact OD2-NH2 3.82Å; D368-R371 PolarHBondContact OD2-NH2 3.37Å
372	S	95.7	Very high	93.9	Very high	69 Å²	69	53.5 Å²	53.5	48%	0.483	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	155.6	171	65.4	0	0	0	0	111.6	S364 L365	S364-S372 WeakPolarHBondContact OG-CB 3.29Å; S364-S372 PolarHBondContact OG-OG 2.98Å; L365-S372 CarbonylContact O-C 3.49Å; L365-S372 WeakPolarHBondContact O-CA 3.39Å; L365-S372 WeakPolarHBondContact O-CB 3.36Å
373	V	96.5	Very high	93.9	Very high	21 Å²	21	48.9 Å²	48.9	13%	0.127	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	144.4	178.6	-64.9	0	0	0	0	111.4	P30 V64 S364 L365 L367	P30-V373 HydrophobicContact CG-CB 3.96Å; P30-V373 HydrophobicContact CG-CG1 4.33Å; P30-V373 HydrophobicContact CG-CG2 4Å; V64-V373 HydrophobicContact CG1-CG1 4.44Å; V64-V373 HydrophobicContact CG1-CG2 4.27Å; S364-V373 CarbonylContact C-O 3.49Å; S364-V373 WeakPolarHBondContact CA-O 3.29Å; L365-V373 HydrophobicContact CB-CG2 4.05Å; L365-V373 HydrophobicContact CD2-CG2 4.22Å; L365-V373 PolarHBondContact N-O 3.36Å; L365-V373 PolarHBondContact O-N 3.38Å; L367-V373 HydrophobicContact CD1-CG1 3.88Å; L367-V373 HydrophobicContact CD1-CG2 4.5Å; L367-V373 HydrophobicContact CD2-CG2 4.12Å; L367-V373 HydrophobicContact CG-CG2 4.4Å
374	G	97.1	Very high	94	Very high	22 Å²	22	48.1 Å²	48.1	23%	0.227	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	130.4	175	0	0	0	0	0	111.8	G28 P30	G28-G374 PolarHBondContact O-N 3.07Å; P30-G374 WeakPolarHBondContact CD-O 3.43Å
375	V	95.8	Very high	94.1	Very high	3 Å²	3	45 Å²	45	2%	0.018	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	138.7	176.8	175.1	0	0	0	0	108.6	A359 D362 F363 L365 D379 I381	A359-V375 HydrophobicContact CB-CG1 3.62Å; D362-V375 WeakPolarHBondContact CA-O 3.44Å; F363-V375 HydrophobicContact CD1-CB 4.15Å; F363-V375 HydrophobicContact CD1-CG1 4.35Å; F363-V375 HydrophobicContact CE1-CB 3.87Å; F363-V375 HydrophobicContact CE1-CG1 3.79Å; F363-V375 HydrophobicContact CZ-CB 4.46Å; F363-V375 PolarHBondContact N-O 3.02Å; F363-V375 PolarHBondContact O-N 3.27Å; L365-V375 HydrophobicContact CB-CG2 3.63Å; L365-V375 HydrophobicContact CD2-CG2 4.15Å; L365-V375 HydrophobicContact CG-CG2 4.48Å; V375-D379 HydrophobicContact CG1-CB 3.98Å; V375-I381 HydrophobicContact CG1-CD1 3.78Å; V375-I381 HydrophobicContact CG2-CD1 3.88Å
376	R	95.4	Very high	94.2	Very high	48 Å²	48	45.5 Å²	45.5	18%	0.181	24%	0.242	C	C	.	.			trans	-94.8	150.8	177.5	-61.2	-174.3	-166.5	174.3	15.6	111.3	T24 E29 A359 D362 G378 D379	T24-R376 PolarHBondContact O-NH2 3.19Å; E29-R376 VanDerWaalsContact CD-NH2 3.29Å; E29-R376 IonicContact OE1-CZ 3.28Å; E29-R376 IonicContact OE1-NE 2.72Å; E29-R376 PolarHBondContact OE1-NE 3.29Å; E29-R376 IonicContact OE1-NH2 3.12Å; E29-R376 PolarHBondContact OE1-NH2 2.91Å; E29-R376 IonicContact OE2-CZ 3.26Å; E29-R376 IonicContact OE2-NE 3.31Å; E29-R376 IonicContact OE2-NH2 3.39Å; E29-R376 PolarHBondContact OE2-NH2 3.09Å; A359-R376 VanDerWaalsContact CB-O 3.31Å; A359-R376 WeakPolarHBondContact CB-O 3.47Å; D362-R376 VanDerWaalsContact OD1-CA 3.3Å; D362-R376 WeakPolarHBondContact OD1-CA 3.38Å; R376-G378 PolarHBondContact O-N 3.22Å; R376-D379 PolarHBondContact N-OD2 2.93Å; R376-D379 VanDerWaalsContact O-CB 3.22Å; R376-D379 WeakPolarHBondContact O-CB 3.18Å; R376-D379 PolarHBondContact O-N 3.44Å
377	K	92.9	Very high	94.2	Very high	142 Å²	142	38.9 Å²	38.9	62%	0.617	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.8	132.2	167.5	-178.5	170	-177	163.4	0	110.6	Q360 E361 D362 D379	Q360-K377 WeakPolarHBondContact O-CD 3.26Å; Q360-K377 WeakPolarHBondContact O-CE 3.24Å; Q360-K377 WeakPolarHBondContact O-CG 3.42Å; E361-K377 PolarHBondContact O-N 3.33Å; D362-K377 PolarHBondContact OD1-N 2.97Å; K377-D379 VanDerWaalsContact C-N 3.28Å; K377-D379 PolarHBondContact O-N 3.11Å
378	G	89.9	Confident	94.4	Very high	40 Å²	40	38.6 Å²	38.6	41%	0.412	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.3	-7	-179.3	0	0	0	0	0	114.9	A359 R376	A359-G378 PolarHBondContact O-N 2.97Å; R376-G378 PolarHBondContact O-N 3.22Å
379	D	93.4	Very high	94.7	Very high	8 Å²	8	36.9 Å²	36.9	4%	0.043	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-66.5	144.6	169.5	-71.5	-8.6	0	0	0	110.1	R23 F73 A359 V375 R376 K377	R23-D379 IonicContact CZ-OD1 3.86Å; R23-D379 IonicContact CZ-OD2 2.77Å; R23-D379 VanDerWaalsContact CZ-OD2 3.28Å; R23-D379 IonicContact NH1-OD1 3.19Å; R23-D379 PolarHBondContact NH1-OD1 3.03Å; R23-D379 IonicContact NH1-OD2 2.76Å; R23-D379 PolarHBondContact NH1-OD2 2.76Å; R23-D379 IonicContact NH2-OD1 3.68Å; R23-D379 IonicContact NH2-OD2 3.22Å; R23-D379 PolarHBondContact NH2-OD2 3.34Å; F73-D379 WeakPolarHBondContact CB-OD1 3.38Å; A359-D379 PolarHBondContact N-O 2.71Å; V375-D379 HydrophobicContact CG1-CB 3.98Å; R376-D379 PolarHBondContact N-OD2 2.93Å; R376-D379 VanDerWaalsContact O-CB 3.22Å; R376-D379 WeakPolarHBondContact O-CB 3.18Å; R376-D379 PolarHBondContact O-N 3.44Å; K377-D379 VanDerWaalsContact C-N 3.28Å; K377-D379 PolarHBondContact O-N 3.11Å
380	V	93.1	Very high	95.1	Very high	16 Å²	16	33.4 Å²	33.4	10%	0.097	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	124.4	174.2	-177.5	0	0	0	0	108.2	F73 M74 T75 I356 R357	F73-V380 PolarHBondContact O-N 3.26Å; M74-V380 CarbonylContact C-O 3.51Å; M74-V380 VanDerWaalsContact CA-O 3.26Å; M74-V380 WeakPolarHBondContact CA-O 3.16Å; M74-V380 HydrophobicContact CB-CB 4.47Å; M74-V380 HydrophobicContact CE-CG1 4.05Å; M74-V380 HydrophobicContact CG-CB 4.05Å; T75-V380 PolarHBondContact N-O 3.07Å; I356-V380 HydrophobicContact CB-CG1 3.94Å; I356-V380 HydrophobicContact CG2-CG1 4.07Å; R357-V380 CarbonylContact O-C 3.56Å; R357-V380 VanDerWaalsContact O-CA 3.31Å; R357-V380 WeakPolarHBondContact O-CA 3.17Å
381	I	94.8	Very high	95.4	Very high	3 Å²	3	27.1 Å²	27.1	2%	0.015	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	123.4	166.5	-53	-50.4	0	0	0	107.5	T75 I77 I86 L93 I356 R357 L365 V375	T75-I381 HydrophobicContact CG2-CD1 4.22Å; T75-I381 WeakPolarHBondContact O-CA 3.49Å; I77-I381 HydrophobicContact CG1-CG2 4.16Å; I86-I381 HydrophobicContact CG2-CG2 3.92Å; L93-I381 HydrophobicContact CD2-CB 4.33Å; L93-I381 HydrophobicContact CD2-CG1 3.64Å; I356-I381 CarbonylContact C-O 3.53Å; I356-I381 VanDerWaalsContact CA-O 3.31Å; I356-I381 WeakPolarHBondContact CA-O 3.46Å; R357-I381 PolarHBondContact N-O 3.25Å; R357-I381 PolarHBondContact O-N 3.02Å; L365-I381 HydrophobicContact CD2-CD1 4.19Å; L365-I381 HydrophobicContact CD2-CG1 4.48Å; L365-I381 HydrophobicContact CD2-CG2 4.26Å; V375-I381 HydrophobicContact CG1-CD1 3.78Å; V375-I381 HydrophobicContact CG2-CD1 3.88Å
382	A	94.9	Very high	95.6	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	126.4	-176.1	0	0	0	0	0	110.7	M74 T75 F76 I77 N355 I356	M74-A382 HydrophobicContact CE-CB 3.98Å; T75-A382 PolarHBondContact O-N 3.36Å; F76-A382 WeakPolarHBondContact CA-O 3.29Å; F76-A382 HydrophobicContact CD1-CB 3.86Å; F76-A382 HydrophobicContact CE1-CB 3.8Å; F76-A382 HydrophobicContact CZ-CB 4.42Å; I77-A382 PolarHBondContact N-O 3.27Å; N355-A382 WeakPolarHBondContact O-CA 3.28Å; I356-A382 HydrophobicContact CG2-CB 4.33Å
383	L	96	Very high	95.6	Very high	5 Å²	5	26.8 Å²	26.8	3%	0.026	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	142.5	161	-40.5	179.6	0	0	0	107.8	I77 Y83 I86 I87 N355 P385 M428	I77-L383 HydrophobicContact CB-CD2 3.76Å; I77-L383 HydrophobicContact CG1-CD2 4.1Å; I77-L383 HydrophobicContact CG2-CD2 4.35Å; Y83-L383 HydrophobicContact CD1-CB 4.36Å; Y83-L383 HydrophobicContact CD1-CD1 4.08Å; Y83-L383 HydrophobicContact CD1-CD2 3.77Å; Y83-L383 HydrophobicContact CD1-CG 4.29Å; Y83-L383 HydrophobicContact CD2-CD1 4.14Å; Y83-L383 HydrophobicContact CE1-CB 3.94Å; Y83-L383 HydrophobicContact CE1-CD1 4.49Å; Y83-L383 HydrophobicContact CE1-CD2 3.91Å; Y83-L383 HydrophobicContact CE1-CG 4.33Å; Y83-L383 HydrophobicContact CE2-CB 4.22Å; Y83-L383 HydrophobicContact CG-CD1 3.88Å; Y83-L383 HydrophobicContact CG-CD2 4.4Å; I86-L383 HydrophobicContact CB-CD2 4.35Å; I86-L383 HydrophobicContact CG2-CD2 4.13Å; I87-L383 HydrophobicContact CD1-CD1 3.97Å; I87-L383 HydrophobicContact CG1-CD1 3.87Å; N355-L383 HydrophobicContact CB-CB 3.99Å; N355-L383 HydrophobicContact CB-CD1 4.17Å; N355-L383 HydrophobicContact CB-CG 4.18Å; N355-L383 PolarHBondContact N-O 3.47Å; N355-L383 PolarHBondContact O-N 3.32Å; L383-P385 VanDerWaalsContact C-CD 3.49Å; L383-P385 WeakPolarHBondContact O-CD 3.4Å; L383-M428 HydrophobicContact CD1-CE 4.47Å
384	Y	95.6	Very high	95.7	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.008	15%	0.149	C	C	.	.			trans	-119.4	78.6	176.1	-164.3	-108.3	0	0	0	110.9	A50 H51 L54 Y83 M354 Q386 S387	A50-Y384 HydrophobicContact CB-CE2 4.49Å; H51-Y384 HydrophobicContact CB-CE1 4.1Å; L54-Y384 HydrophobicContact CD1-CD1 3.5Å; L54-Y384 HydrophobicContact CD1-CD2 3.62Å; L54-Y384 HydrophobicContact CD1-CE1 3.87Å; L54-Y384 HydrophobicContact CD1-CE2 3.97Å; L54-Y384 HydrophobicContact CD1-CG 3.37Å; Y83-Y384 PolarHBondContact OH-N 2.89Å; Y83-Y384 PolarHBondContact OH-O 2.99Å; M354-Y384 HydrophobicContact CG-CD2 3.75Å; M354-Y384 HydrophobicContact CG-CE2 4.2Å; Y384-Q386 HydrophobicContact CD1-CB 4.13Å; Y384-Q386 HydrophobicContact CE1-CB 3.66Å; Y384-Q386 HydrophobicContact CE1-CG 4.43Å; Y384-Q386 PolarHBondContact O-N 2.89Å; Y384-Q386 VanDerWaalsContact O-N 3.07Å; Y384-Q386 PolarHBondContact OH-OE1 3.13Å; Y384-S387 PolarHBondContact O-N 3.48Å; Y384-S387 VanDerWaalsContact O-N 3.13Å
385	P	96.8	Very high	95.7	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.013	14%	0.139	C	C	.	.	H	α-helix	trans	-57.8	-21.5	-176.1	-27.5	35.5	0	0	0	115.7	Y83 S353 L383 S387 L388 H389 M428	Y83-P385 HydrophobicContact CE2-CG 4.36Å; S353-P385 WeakPolarHBondContact O-CD 3.4Å; L383-P385 VanDerWaalsContact C-CD 3.49Å; L383-P385 WeakPolarHBondContact O-CD 3.4Å; P385-S387 PolarHBondContact O-N 3.47Å; P385-L388 CarbonylContact O-C 3.55Å; P385-L388 WeakPolarHBondContact O-CA 3.24Å; P385-L388 VanDerWaalsContact O-CB 3.31Å; P385-L388 WeakPolarHBondContact O-CB 3.34Å; P385-L388 PolarHBondContact O-N 2.99Å; P385-H389 PolarHBondContact O-CD2 3.42Å; P385-H389 VanDerWaalsContact O-CD2 3.26Å; P385-H389 PolarHBondContact O-N 3.16Å; P385-M428 HydrophobicContact CB-CB 3.85Å; P385-M428 HydrophobicContact CB-CG 4.47Å; P385-M428 HydrophobicContact CB-SD 4.23Å; P385-M428 HydrophobicContact CG-CB 3.91Å; P385-M428 HydrophobicContact CG-CE 4.21Å; P385-M428 HydrophobicContact CG-SD 3.92Å
386	Q	96.6	Very high	95.8	Very high	10 Å²	10	31.6 Å²	31.6	5%	0.047	17%	0.167	C	C	.	.	H	α-helix	trans	-59.6	-33.8	176.5	-169.8	178.5	45.4	0	0	112.2	S351 Y384 L388 H389 L390	S351-Q386 WeakPolarHBondContact O-CB 3.5Å; S351-Q386 WeakPolarHBondContact O-CG 3.48Å; S351-Q386 PolarHBondContact O-NE2 2.65Å; Y384-Q386 HydrophobicContact CD1-CB 4.13Å; Y384-Q386 HydrophobicContact CE1-CB 3.66Å; Y384-Q386 HydrophobicContact CE1-CG 4.43Å; Y384-Q386 PolarHBondContact O-N 2.89Å; Y384-Q386 VanDerWaalsContact O-N 3.07Å; Y384-Q386 PolarHBondContact OH-OE1 3.13Å; Q386-L388 VanDerWaalsContact C-N 3.32Å; Q386-L388 PolarHBondContact O-N 2.82Å; Q386-H389 PolarHBondContact O-N 3.1Å; Q386-L390 HydrophobicContact CG-CD1 3.95Å; Q386-L390 HydrophobicContact CG-CG 4.29Å; Q386-L390 WeakPolarHBondContact O-CB 3.4Å; Q386-L390 WeakPolarHBondContact O-CG 3.23Å; Q386-L390 PolarHBondContact O-N 3.16Å
387	S	95.3	Very high	95.9	Very high	4 Å²	4	34 Å²	34	3%	0.028	18%	0.183	C	C	.	.	H	α-helix	trans	-64.5	-35.8	173.3	-74.6	0	0	0	0	113	E55 M78 Y384 P385 D391	E55-S387 WeakPolarHBondContact OE1-CB 3.09Å; E55-S387 PolarHBondContact OE1-OG 2.96Å; M78-S387 WeakPolarHBondContact CE-OG 3.39Å; Y384-S387 PolarHBondContact O-N 3.48Å; Y384-S387 VanDerWaalsContact O-N 3.13Å; P385-S387 PolarHBondContact O-N 3.47Å; S387-D391 WeakPolarHBondContact O-CB 3.38Å; S387-D391 PolarHBondContact O-N 3.22Å
388	L	96.6	Very high	96.1	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-69.1	-45	170.3	155.8	68.9	0	0	0	110.8	P80 Y83 P385 Q386 L390 D391 V394 Y395 L423 Y425	P80-L388 HydrophobicContact CB-CB 4.16Å; P80-L388 HydrophobicContact CB-CD1 3.9Å; P80-L388 HydrophobicContact CB-CD2 4.03Å; P80-L388 HydrophobicContact CB-CG 4.24Å; P80-L388 HydrophobicContact CG-CB 4.39Å; P80-L388 HydrophobicContact CG-CD1 3.93Å; Y83-L388 HydrophobicContact CE2-CD2 4.4Å; P385-L388 CarbonylContact O-C 3.55Å; P385-L388 WeakPolarHBondContact O-CA 3.24Å; P385-L388 VanDerWaalsContact O-CB 3.31Å; P385-L388 WeakPolarHBondContact O-CB 3.34Å; P385-L388 PolarHBondContact O-N 2.99Å; Q386-L388 VanDerWaalsContact C-N 3.32Å; Q386-L388 PolarHBondContact O-N 2.82Å; L388-L390 PolarHBondContact O-N 3.3Å; L388-D391 WeakPolarHBondContact O-CB 3.26Å; L388-D391 PolarHBondContact O-N 2.98Å; L388-D391 VanDerWaalsContact O-N 3.15Å; L388-V394 HydrophobicContact CD1-CB 4.47Å; L388-V394 HydrophobicContact CD1-CG1 4.15Å; L388-V394 HydrophobicContact CD1-CG2 4.02Å; L388-Y395 WeakPolarHBondContact O-CE2 3.46Å; L388-L423 HydrophobicContact CD1-CD1 3.71Å; L388-Y425 VanDerWaalsContact CD2-O 3.29Å; L388-Y425 WeakPolarHBondContact CD2-O 3.5Å
389	H	98.3	Very high	96.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-61.7	-33.7	-177	-65.6	165.9	0	0	0	111.4	R348 P385 Q386 Y395 M428	R348-H389 HydrophobicContact CG-CB 3.65Å; R348-H389 PolarHBondContact NH1-O 3.19Å; R348-H389 WeakPolarHBondContact O-CB 3.37Å; P385-H389 PolarHBondContact O-CD2 3.42Å; P385-H389 VanDerWaalsContact O-CD2 3.26Å; P385-H389 PolarHBondContact O-N 3.16Å; Q386-H389 PolarHBondContact O-N 3.1Å; H389-Y395 WeakPolarHBondContact O-CD2 3.31Å; H389-M428 PolarHBondContact NE2-N 3.31Å
390	L	97.4	Very high	96.6	Very high	32 Å²	32	37.1 Å²	37.1	17%	0.168	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	12.5	179.2	-57.8	179.7	0	0	0	113.5	L349 Q386 L388 P392 P398	L349-L390 HydrophobicContact CD2-CD2 4.19Å; Q386-L390 HydrophobicContact CG-CD1 3.95Å; Q386-L390 HydrophobicContact CG-CG 4.29Å; Q386-L390 WeakPolarHBondContact O-CB 3.4Å; Q386-L390 WeakPolarHBondContact O-CG 3.23Å; Q386-L390 PolarHBondContact O-N 3.16Å; L388-L390 PolarHBondContact O-N 3.3Å; L390-P392 WeakPolarHBondContact O-CD 3.5Å; L390-P398 WeakPolarHBondContact O-CB 3.23Å; L390-P398 WeakPolarHBondContact O-CG 3.37Å
391	D	97.6	Very high	96.8	Very high	16 Å²	16	36.8 Å²	36.8	9%	0.086	19%	0.193	C	C	.	.			trans	-74.7	115.9	-178.8	-163.2	-30	0	0	0	110.7	S387 L388 E393 V394 Y395 K418	S387-D391 WeakPolarHBondContact O-CB 3.38Å; S387-D391 PolarHBondContact O-N 3.22Å; L388-D391 WeakPolarHBondContact O-CB 3.26Å; L388-D391 PolarHBondContact O-N 2.98Å; L388-D391 VanDerWaalsContact O-N 3.15Å; D391-E393 PolarHBondContact O-N 3.45Å; D391-E393 VanDerWaalsContact OD1-CB 3.29Å; D391-E393 WeakPolarHBondContact OD1-CB 3.29Å; D391-E393 PolarHBondContact OD1-N 3.26Å; D391-V394 HydrophobicContact CB-CB 4.22Å; D391-V394 HydrophobicContact CB-CG2 3.96Å; D391-V394 PolarHBondContact O-N 3.43Å; D391-V394 VanDerWaalsContact O-N 3.09Å; D391-Y395 PolarHBondContact O-N 2.99Å; D391-K418 IonicContact OD2-NZ 2.83Å; D391-K418 PolarHBondContact OD2-NZ 3.36Å
392	P	97.1	Very high	97	Very high	97 Å²	97	40.8 Å²	40.8	63%	0.63	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-16.3	179.4	28.1	-35.5	0	0	0	113.6	L390 V394 Y395 P398	L390-P392 WeakPolarHBondContact O-CD 3.5Å; P392-V394 VanDerWaalsContact C-N 3.35Å; P392-Y395 WeakPolarHBondContact CA-O 3.46Å; P392-P398 HydrophobicContact CB-CG 3.98Å
393	E	96.4	Very high	97.1	Very high	90 Å²	90	41.9 Å²	41.9	42%	0.421	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-28.4	174.2	-161.4	-170.4	150.8	0	0	112.1	D391 K418 D419	D391-E393 PolarHBondContact O-N 3.45Å; D391-E393 VanDerWaalsContact OD1-CB 3.29Å; D391-E393 WeakPolarHBondContact OD1-CB 3.29Å; D391-E393 PolarHBondContact OD1-N 3.26Å; E393-K418 HydrophobicContact CG-CG 4.47Å; E393-K418 WeakPolarHBondContact OE1-CG 3.02Å; E393-K418 WeakPolarHBondContact OE2-CE 3.43Å; E393-D419 WeakPolarHBondContact OE1-CA 3.32Å; E393-D419 PolarHBondContact OE1-N 2.93Å
394	V	98.1	Very high	97.2	Very high	15 Å²	15	44.7 Å²	44.7	9%	0.091	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-39.2	-179.1	-176.8	0	0	0	0	111	L388 D391 P392 F416 K418 L423	L388-V394 HydrophobicContact CD1-CB 4.47Å; L388-V394 HydrophobicContact CD1-CG1 4.15Å; L388-V394 HydrophobicContact CD1-CG2 4.02Å; D391-V394 HydrophobicContact CB-CB 4.22Å; D391-V394 HydrophobicContact CB-CG2 3.96Å; D391-V394 PolarHBondContact O-N 3.43Å; D391-V394 VanDerWaalsContact O-N 3.09Å; P392-V394 VanDerWaalsContact C-N 3.35Å; V394-F416 HydrophobicContact CG1-CB 4.07Å; V394-F416 HydrophobicContact CG1-CD1 4.44Å; V394-K418 HydrophobicContact CG2-CB 4.03Å; V394-K418 HydrophobicContact CG2-CD 4.29Å; V394-K418 HydrophobicContact CG2-CG 4.33Å; V394-L423 HydrophobicContact CB-CD1 4.39Å; V394-L423 HydrophobicContact CG1-CD1 3.6Å; V394-L423 HydrophobicContact CG2-CD1 3.8Å
395	Y	98.3	Very high	97.3	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.008	23%	0.231	C	C	.	.	S	Bend	trans	-127.3	111.9	-174.4	-62.1	-70.4	0	0	0	110.6	R348 L388 H389 D391 P392 D397 P398 R405 F406 F416 Y426	R348-Y395 HydrophobicContact CG-CE2 4.5Å; L388-Y395 WeakPolarHBondContact O-CE2 3.46Å; H389-Y395 WeakPolarHBondContact O-CD2 3.31Å; D391-Y395 PolarHBondContact O-N 2.99Å; P392-Y395 WeakPolarHBondContact CA-O 3.46Å; Y395-D397 PolarHBondContact O-N 3.19Å; Y395-P398 VanDerWaalsContact O-CD 3.26Å; Y395-P398 WeakPolarHBondContact O-CD 3.39Å; Y395-R405 HydrophobicContact CD1-CG 4.42Å; Y395-F406 HydrophobicContact CE1-CE1 4.19Å; Y395-F406 HydrophobicContact CE1-CZ 4.09Å; Y395-F416 AromaticContact CD1-CD1 3.93Å; Y395-F416 HydrophobicContact CD1-CD1 3.93Å; Y395-F416 AromaticContact CD1-CE1 3.75Å; Y395-F416 HydrophobicContact CD1-CE1 3.75Å; Y395-F416 AromaticContact CE1-CD1 3.53Å; Y395-F416 HydrophobicContact CE1-CD1 3.53Å; Y395-F416 AromaticContact CE1-CE1 3.38Å; Y395-F416 HydrophobicContact CE1-CE1 3.38Å; Y395-F416 HydrophobicContact CE1-CG 4.26Å; Y395-F416 HydrophobicContact CE1-CZ 4Å; Y395-Y426 PolarHBondContact OH-O 2.83Å
396	E	96.9	Very high	97.4	Very high	130 Å²	130	45.8 Å²	45.8	61%	0.607	23%	0.232	S	C	*	.	S	Bend	trans	-57.4	133.2	171.1	-176.9	-174	-150.6	0	0	110.6	R402 R405	E396-R402 IonicContact OE2-CZ 3.74Å; E396-R402 IonicContact OE2-NH1 2.89Å; E396-R402 PolarHBondContact OE2-NH1 3.14Å; E396-R405 PolarHBondContact O-NH1 3.48Å; E396-R405 PolarHBondContact O-NH2 3Å
397	D	97.4	Very high	97.5	Very high	98 Å²	98	46.5 Å²	46.5	52%	0.524	24%	0.237	S	C	.	.	S	Bend	trans	45.6	65.3	-173.1	-63.6	-36.8	0	0	0	112	Y395 Q399 T400 R405	Y395-D397 PolarHBondContact O-N 3.19Å; D397-Q399 PolarHBondContact O-N 2.95Å; D397-Q399 VanDerWaalsContact O-N 3.07Å; D397-T400 WeakPolarHBondContact O-CB 3.49Å; D397-T400 PolarHBondContact O-N 3.08Å; D397-R405 PolarHBondContact O-NH2 3.49Å; D397-R405 VanDerWaalsContact O-NH2 3.14Å
398	P	97.8	Very high	97.5	Very high	19 Å²	19	50.4 Å²	50.4	12%	0.123	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-18.4	-165.7	26.6	-35.1	0	0	0	113.2	R348 L349 L390 P392 Y395	R348-P398 VanDerWaalsContact CZ-O 3.22Å; R348-P398 PolarHBondContact NH1-O 3.01Å; R348-P398 PolarHBondContact NH2-O 3.23Å; L349-P398 WeakPolarHBondContact CD2-O 3.37Å; L390-P398 WeakPolarHBondContact O-CB 3.23Å; L390-P398 WeakPolarHBondContact O-CG 3.37Å; P392-P398 HydrophobicContact CB-CG 3.98Å; Y395-P398 VanDerWaalsContact O-CD 3.26Å; Y395-P398 WeakPolarHBondContact O-CD 3.39Å
399	Q	96.6	Very high	97.4	Very high	168 Å²	168	57.6 Å²	57.6	79%	0.785	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-7.6	177.3	-61	-176	23.2	0	0	113	D397	D397-Q399 PolarHBondContact O-N 2.95Å; D397-Q399 VanDerWaalsContact O-N 3.07Å
400	T	96.7	Very high	96.9	Very high	69 Å²	69	59.8 Å²	59.8	42%	0.423	32%	0.316	S	S	.	.	S	Bend	trans	-93.5	130	-177.6	-58.8	0	0	0	0	110	D397 R402 R405	D397-T400 WeakPolarHBondContact O-CB 3.49Å; D397-T400 PolarHBondContact O-N 3.08Å; T400-R402 HydrophobicContact CG2-CG 4.42Å; T400-R402 PolarHBondContact O-N 3.48Å; T400-R405 PolarHBondContact O-NH2 3.39Å
401	F	98.1	Very high	96.8	Very high	10 Å²	10	67.3 Å²	67.3	4%	0.044	34%	0.342	C	S	.	.			trans	-68.9	121.4	170	178.3	-96.7	0	0	0	110.3	F294 Q298 A301 A342 E345 S346 L349 F403	F294-F401 HydrophobicContact CB-CB 4.5Å; F294-F401 HydrophobicContact CB-CD1 3.84Å; F294-F401 HydrophobicContact CB-CD2 3.45Å; F294-F401 VanDerWaalsContact CB-CD2 3.45Å; F294-F401 HydrophobicContact CB-CE1 3.81Å; F294-F401 HydrophobicContact CB-CE2 3.46Å; F294-F401 VanDerWaalsContact CB-CE2 3.46Å; F294-F401 HydrophobicContact CB-CG 3.67Å; F294-F401 HydrophobicContact CB-CZ 3.64Å; F294-F401 HydrophobicContact CD1-CB 3.78Å; F294-F401 AromaticContact CD1-CD2 3.96Å; F294-F401 HydrophobicContact CD1-CD2 3.96Å; F294-F401 AromaticContact CD1-CG 3.87Å; F294-F401 HydrophobicContact CD1-CG 3.87Å; F294-F401 AromaticContact CD2-CD2 3.74Å; F294-F401 HydrophobicContact CD2-CD2 3.74Å; F294-F401 HydrophobicContact CD2-CE2 4.08Å; F294-F401 HydrophobicContact CD2-CG 4.47Å; F294-F401 HydrophobicContact CE1-CB 4.21Å; F294-F401 HydrophobicContact CE2-CD2 4.47Å; F294-F401 HydrophobicContact CG-CB 4.19Å; F294-F401 HydrophobicContact CG-CD1 4.42Å; F294-F401 AromaticContact CG-CD2 3.46Å; F294-F401 HydrophobicContact CG-CD2 3.46Å; F294-F401 VanDerWaalsContact CG-CD2 3.46Å; F294-F401 AromaticContact CG-CE2 3.91Å; F294-F401 HydrophobicContact CG-CE2 3.91Å; F294-F401 AromaticContact CG-CG 3.77Å; F294-F401 HydrophobicContact CG-CG 3.77Å; Q298-F401 HydrophobicContact CG-CD1 4.46Å; Q298-F401 PolarHBondContact NE2-O 2.95Å; A301-F401 HydrophobicContact CB-CE1 4.47Å; A342-F401 HydrophobicContact CB-CZ 4.15Å; A342-F401 WeakPolarHBondContact O-CE2 3.4Å; E345-F401 HydrophobicContact CB-CD2 4.1Å; E345-F401 HydrophobicContact CB-CE2 3.82Å; E345-F401 HydrophobicContact CG-CD2 3.33Å; E345-F401 HydrophobicContact CG-CE2 3.57Å; E345-F401 HydrophobicContact CG-CG 4.1Å; S346-F401 WeakPolarHBondContact OG-CE2 3.27Å; L349-F401 HydrophobicContact CD1-CB 3.75Å; L349-F401 HydrophobicContact CD1-CD2 4.05Å; L349-F401 HydrophobicContact CD1-CG 4.42Å; F401-F403 HydrophobicContact CE1-CB 3.72Å; F401-F403 HydrophobicContact CZ-CB 3.91Å
402	R	98.1	Very high	96.6	Very high	86 Å²	86	72 Å²	72	33%	0.325	36%	0.363	S	S	.	.			trans	-125.3	105	172.4	-65.7	-180	76.4	170.4	3.2	109.2	E345 E396 T400 D404 R405	E345-R402 WeakPolarHBondContact CG-O 3.19Å; E345-R402 PolarHBondContact OE1-N 3.32Å; E345-R402 VanDerWaalsContact OE1-N 3.12Å; E396-R402 IonicContact OE2-CZ 3.74Å; E396-R402 IonicContact OE2-NH1 2.89Å; E396-R402 PolarHBondContact OE2-NH1 3.14Å; T400-R402 HydrophobicContact CG2-CG 4.42Å; T400-R402 PolarHBondContact O-N 3.48Å; R402-D404 PolarHBondContact O-N 3.07Å; R402-D404 VanDerWaalsContact O-N 3.11Å; R402-R405 HydrophobicContact CB-CB 4.09Å; R402-R405 VanDerWaalsContact O-CB 3.29Å; R402-R405 WeakPolarHBondContact O-CB 3.31Å; R402-R405 PolarHBondContact O-N 3.49Å
403	F	97.8	Very high	96.6	Very high	24 Å²	24	70.2 Å²	70.2	11%	0.105	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-22.4	-173.4	77.9	-83.5	0	0	0	113.5	A301 V304 V305 F338 S341 A342 F401	A301-F403 HydrophobicContact CB-CB 3.74Å; A301-F403 HydrophobicContact CB-CD1 3.49Å; A301-F403 VanDerWaalsContact CB-CD1 3.49Å; A301-F403 HydrophobicContact CB-CD2 4.35Å; A301-F403 HydrophobicContact CB-CE1 4.19Å; A301-F403 HydrophobicContact CB-CG 3.59Å; V304-F403 HydrophobicContact CB-CE2 3.85Å; V304-F403 HydrophobicContact CB-CZ 4.04Å; V304-F403 HydrophobicContact CG1-CE2 3.68Å; V304-F403 HydrophobicContact CG1-CZ 4.16Å; V304-F403 HydrophobicContact CG2-CE2 4.35Å; V304-F403 HydrophobicContact CG2-CZ 4.03Å; V305-F403 HydrophobicContact CG2-CD2 4.25Å; F338-F403 HydrophobicContact CD1-CD2 4Å; F338-F403 AromaticContact CD1-CE2 3.56Å; F338-F403 HydrophobicContact CD1-CE2 3.56Å; F338-F403 HydrophobicContact CE1-CE2 4.07Å; F338-F403 HydrophobicContact CG-CE2 4.37Å; S341-F403 CarbonylContact C-O 3.55Å; S341-F403 WeakPolarHBondContact CB-O 3.24Å; S341-F403 PolarHBondContact OG-O 2.91Å; A342-F403 HydrophobicContact CB-CB 4.11Å; A342-F403 PolarHBondContact N-O 3.22Å; F401-F403 HydrophobicContact CE1-CB 3.72Å; F401-F403 HydrophobicContact CZ-CB 3.91Å
404	D	97.8	Very high	96.5	Very high	64 Å²	64	68.5 Å²	68.5	34%	0.342	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100	6.3	-179.5	63.4	-17.3	0	0	0	113.4	F338 R402 F406 V407	F338-D404 HydrophobicContact CD1-CB 4.45Å; F338-D404 HydrophobicContact CE1-CB 4.25Å; R402-D404 PolarHBondContact O-N 3.07Å; R402-D404 VanDerWaalsContact O-N 3.11Å; D404-F406 PolarHBondContact O-N 3.3Å; D404-F406 VanDerWaalsContact O-N 3.08Å; D404-V407 WeakPolarHBondContact O-CB 3.46Å; D404-V407 PolarHBondContact O-N 2.92Å
405	R	98.3	Very high	96.4	Very high	20 Å²	20	71.2 Å²	71.2	8%	0.075	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-32.5	-175	-170.5	178.8	-63.6	-86.5	8.8	113.7	S341 E345 Y395 E396 D397 T400 R402	S341-R405 PolarHBondContact OG-N 3.12Å; E345-R405 IonicContact OE1-CZ 3Å; E345-R405 IonicContact OE1-NE 3.71Å; E345-R405 PolarHBondContact OE1-NE 3.21Å; E345-R405 IonicContact OE1-NH2 2.74Å; E345-R405 PolarHBondContact OE1-NH2 3Å; E345-R405 WeakPolarHBondContact OE2-CD 3.34Å; E345-R405 IonicContact OE2-NE 3.69Å; E345-R405 PolarHBondContact OE2-NE 3.04Å; Y395-R405 HydrophobicContact CD1-CG 4.42Å; E396-R405 PolarHBondContact O-NH1 3.48Å; E396-R405 PolarHBondContact O-NH2 3Å; D397-R405 PolarHBondContact O-NH2 3.49Å; D397-R405 VanDerWaalsContact O-NH2 3.14Å; T400-R405 PolarHBondContact O-NH2 3.39Å; R402-R405 HydrophobicContact CB-CB 4.09Å; R402-R405 VanDerWaalsContact O-CB 3.29Å; R402-R405 WeakPolarHBondContact O-CB 3.31Å; R402-R405 PolarHBondContact O-N 3.49Å
406	F	98.4	Very high	96.4	Very high	6 Å²	6	71.5 Å²	71.5	3%	0.026	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	23.7	179.6	-59.1	-85.5	0	0	0	112	S341 E345 Y395 D404 E412 K413 F416 Y426 L427	S341-F406 PolarHBondContact OG-N 3.13Å; E345-F406 HydrophobicContact CB-CD2 4.38Å; E345-F406 HydrophobicContact CB-CE2 4.12Å; Y395-F406 HydrophobicContact CE1-CE1 4.19Å; Y395-F406 HydrophobicContact CE1-CZ 4.09Å; D404-F406 PolarHBondContact O-N 3.3Å; D404-F406 VanDerWaalsContact O-N 3.08Å; F406-E412 WeakPolarHBondContact O-CA 3.34Å; F406-K413 PolarHBondContact O-N 3.37Å; F406-F416 AromaticContact CD1-CE2 3.68Å; F406-F416 HydrophobicContact CD1-CE2 3.68Å; F406-F416 AromaticContact CD1-CZ 3.62Å; F406-F416 HydrophobicContact CD1-CZ 3.62Å; F406-F416 AromaticContact CE1-CE2 3.81Å; F406-F416 HydrophobicContact CE1-CE2 3.81Å; F406-F416 AromaticContact CE1-CZ 3.7Å; F406-F416 HydrophobicContact CE1-CZ 3.7Å; F406-F416 HydrophobicContact CG-CZ 4.48Å; F406-Y426 HydrophobicContact CD1-CD2 4.5Å; F406-Y426 HydrophobicContact CD1-CE2 4.21Å; F406-Y426 HydrophobicContact CE1-CD2 4.03Å; F406-Y426 HydrophobicContact CE1-CE2 4.13Å; F406-L427 HydrophobicContact CE1-CB 4.35Å; F406-L427 HydrophobicContact CE1-CD2 4.07Å; F406-L427 HydrophobicContact CZ-CD1 4.39Å; F406-L427 HydrophobicContact CZ-CD2 3.97Å
407	V	98.2	Very high	96.4	Very high	25 Å²	25	68 Å²	68	15%	0.152	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	135	176	-173.6	0	0	0	0	110.6	I337 F338 S341 D404 R411	I337-V407 HydrophobicContact CG2-CG1 4.33Å; I337-V407 HydrophobicContact CG2-CG2 4.08Å; F338-V407 HydrophobicContact CD1-CG2 3.97Å; F338-V407 HydrophobicContact CE1-CB 4.35Å; F338-V407 HydrophobicContact CE1-CG1 4.05Å; F338-V407 HydrophobicContact CE1-CG2 4.18Å; F338-V407 HydrophobicContact CZ-CG1 4.19Å; S341-V407 VanDerWaalsContact CB-CG2 3.48Å; D404-V407 WeakPolarHBondContact O-CB 3.46Å; D404-V407 PolarHBondContact O-N 2.92Å; V407-R411 CarbonylContact C-O 3.55Å; V407-R411 WeakPolarHBondContact CA-O 3.39Å
408	Q	96.5	Very high	96.4	Very high	86 Å²	86	63.7 Å²	63.7	40%	0.402	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	129.5	170.7	-175.6	177.9	36.3	0	0	108.8	G410 R411 K413	Q408-G410 PolarHBondContact O-N 3.4Å; Q408-G410 VanDerWaalsContact O-N 3.13Å; Q408-R411 PolarHBondContact N-O 3.33Å; Q408-R411 PolarHBondContact O-N 3.31Å; Q408-K413 HydrophobicContact CB-CB 3.92Å; Q408-K413 HydrophobicContact CB-CD 4.39Å; Q408-K413 HydrophobicContact CB-CG 4.08Å
409	D	93.6	Very high	96.3	Very high	152 Å²	152	67.5 Å²	67.5	81%	0.813	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	38.7	179.3	-54.6	-39	0	0	0	114	R411	D409-R411 VanDerWaalsContact C-N 3.28Å; D409-R411 PolarHBondContact O-N 3.16Å
410	G	89	Confident	96.2	Very high	47 Å²	47	63.3 Å²	63.3	49%	0.485	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.6	20.5	-178.9	0	0	0	0	0	114.4	I337 Q408	I337-G410 WeakPolarHBondContact CD1-O 3.48Å; Q408-G410 PolarHBondContact O-N 3.4Å; Q408-G410 VanDerWaalsContact O-N 3.13Å
411	R	93.9	Very high	96.1	Very high	190 Å²	190	65.5 Å²	65.5	72%	0.717	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.1	167.9	178.3	-61.4	-178.5	-178.1	175.5	1.3	110.9	V407 Q408 D409 K413	V407-R411 CarbonylContact C-O 3.55Å; V407-R411 WeakPolarHBondContact CA-O 3.39Å; Q408-R411 PolarHBondContact N-O 3.33Å; Q408-R411 PolarHBondContact O-N 3.31Å; D409-R411 VanDerWaalsContact C-N 3.28Å; D409-R411 PolarHBondContact O-N 3.16Å; R411-K413 PolarHBondContact O-N 2.88Å
412	E	94.6	Very high	96.1	Very high	114 Å²	114	71.7 Å²	71.7	53%	0.533	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	125.7	172.3	-170.4	-167.6	177.2	0	0	110.8	F406 T414 Y426	F406-E412 WeakPolarHBondContact O-CA 3.34Å; E412-T414 HydrophobicContact CG-CG2 3.98Å; E412-Y426 PolarHBondContact OE1-OH 3.49Å
413	K	96.4	Very high	96	Very high	60 Å²	60	67.8 Å²	67.8	26%	0.261	36%	0.362	S	S	.	.			trans	-83.9	126.1	172	-173.5	-176.1	176.3	178.5	0	110.1	F406 Q408 R411 D415 F416	F406-K413 PolarHBondContact O-N 3.37Å; Q408-K413 HydrophobicContact CB-CB 3.92Å; Q408-K413 HydrophobicContact CB-CD 4.39Å; Q408-K413 HydrophobicContact CB-CG 4.08Å; R411-K413 PolarHBondContact O-N 2.88Å; K413-D415 WeakPolarHBondContact CE-OD1 3.47Å; K413-D415 WeakPolarHBondContact CG-OD1 3.48Å; K413-F416 HydrophobicContact CD-CE1 4.48Å; K413-F416 HydrophobicContact CD-CZ 4.07Å; K413-F416 HydrophobicContact CG-CE2 4.34Å; K413-F416 HydrophobicContact CG-CZ 4.34Å; K413-F416 WeakPolarHBondContact O-CE2 3.31Å
414	T	95.1	Very high	95.9	Very high	53 Å²	53	73.4 Å²	73.4	33%	0.325	38%	0.383	S	S	.	.			trans	-131.2	4.7	-176	65.9	0	0	0	0	113.8	E412 F416 Y426	E412-T414 HydrophobicContact CG-CG2 3.98Å; T414-F416 PolarHBondContact O-N 3.32Å; T414-Y426 WeakPolarHBondContact CG2-OH 3.19Å
415	D	94.9	Very high	95.8	Very high	72 Å²	72	72.4 Å²	72.4	39%	0.385	38%	0.375	S	S	.	.			trans	-102.5	59.2	-173.4	66.4	-25.7	0	0	0	112.2	K413	K413-D415 WeakPolarHBondContact CE-OD1 3.47Å; K413-D415 WeakPolarHBondContact CG-OD1 3.48Å
416	F	97.9	Very high	95.7	Very high	9 Å²	9	73.4 Å²	73.4	4%	0.039	38%	0.379	C	S	.	.			trans	-85	145.4	170.3	-61	-89.7	0	0	0	110.5	V394 Y395 F406 K413 T414 L423 Y426	V394-F416 HydrophobicContact CG1-CB 4.07Å; V394-F416 HydrophobicContact CG1-CD1 4.44Å; Y395-F416 AromaticContact CD1-CD1 3.93Å; Y395-F416 HydrophobicContact CD1-CD1 3.93Å; Y395-F416 AromaticContact CD1-CE1 3.75Å; Y395-F416 HydrophobicContact CD1-CE1 3.75Å; Y395-F416 AromaticContact CE1-CD1 3.53Å; Y395-F416 HydrophobicContact CE1-CD1 3.53Å; Y395-F416 AromaticContact CE1-CE1 3.38Å; Y395-F416 HydrophobicContact CE1-CE1 3.38Å; Y395-F416 HydrophobicContact CE1-CG 4.26Å; Y395-F416 HydrophobicContact CE1-CZ 4Å; F406-F416 AromaticContact CD1-CE2 3.68Å; F406-F416 HydrophobicContact CD1-CE2 3.68Å; F406-F416 AromaticContact CD1-CZ 3.62Å; F406-F416 HydrophobicContact CD1-CZ 3.62Å; F406-F416 AromaticContact CE1-CE2 3.81Å; F406-F416 HydrophobicContact CE1-CE2 3.81Å; F406-F416 AromaticContact CE1-CZ 3.7Å; F406-F416 HydrophobicContact CE1-CZ 3.7Å; F406-F416 HydrophobicContact CG-CZ 4.48Å; K413-F416 HydrophobicContact CD-CE1 4.48Å; K413-F416 HydrophobicContact CD-CZ 4.07Å; K413-F416 HydrophobicContact CG-CE2 4.34Å; K413-F416 HydrophobicContact CG-CZ 4.34Å; K413-F416 WeakPolarHBondContact O-CE2 3.31Å; T414-F416 PolarHBondContact O-N 3.32Å; F416-L423 HydrophobicContact CB-CD1 4.47Å; F416-L423 PolarHBondContact O-N 2.89Å; F416-Y426 HydrophobicContact CB-CG 4.3Å; F416-Y426 HydrophobicContact CD2-CD1 4.12Å; F416-Y426 AromaticContact CD2-CD2 3.45Å; F416-Y426 HydrophobicContact CD2-CD2 3.45Å; F416-Y426 VanDerWaalsContact CD2-CD2 3.45Å; F416-Y426 HydrophobicContact CD2-CE2 4.05Å; F416-Y426 AromaticContact CD2-CG 3.51Å; F416-Y426 HydrophobicContact CD2-CG 3.51Å; F416-Y426 AromaticContact CE2-CD2 3.7Å; F416-Y426 HydrophobicContact CE2-CD2 3.7Å; F416-Y426 AromaticContact CE2-CE2 3.97Å; F416-Y426 HydrophobicContact CE2-CE2 3.97Å; F416-Y426 HydrophobicContact CE2-CG 4.24Å; F416-Y426 HydrophobicContact CG-CD2 4.38Å; F416-Y426 HydrophobicContact CG-CG 4.2Å
417	S	97.6	Very high	95.7	Very high	57 Å²	57	74.9 Å²	74.9	40%	0.399	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	157.7	-177.1	59.5	0	0	0	0	112.6	Q421	S417-Q421 CarbonylContact C-O 3.39Å; S417-Q421 WeakPolarHBondContact CA-O 3.4Å; S417-Q421 VanDerWaalsContact CB-O 3.27Å; S417-Q421 WeakPolarHBondContact CB-O 3.44Å
418	K	96.9	Very high	95.7	Very high	6 Å²	6	73.9 Å²	73.9	3%	0.026	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	138.2	168.6	-171.8	174.5	177.6	161.2	0	108.7	P80 D391 E393 V394 G420 Q421 L423	P80-K418 HydrophobicContact CG-CD 3.78Å; D391-K418 IonicContact OD2-NZ 2.83Å; D391-K418 PolarHBondContact OD2-NZ 3.36Å; E393-K418 HydrophobicContact CG-CG 4.47Å; E393-K418 WeakPolarHBondContact OE1-CG 3.02Å; E393-K418 WeakPolarHBondContact OE2-CE 3.43Å; V394-K418 HydrophobicContact CG2-CB 4.03Å; V394-K418 HydrophobicContact CG2-CD 4.29Å; V394-K418 HydrophobicContact CG2-CG 4.33Å; K418-G420 PolarHBondContact O-N 2.86Å; K418-Q421 PolarHBondContact N-O 3.5Å; K418-Q421 WeakPolarHBondContact O-CA 3.3Å; K418-Q421 WeakPolarHBondContact O-CB 3.39Å; K418-Q421 PolarHBondContact O-N 2.92Å; K418-L423 HydrophobicContact CB-CD1 4.36Å; K418-L423 HydrophobicContact CB-CD2 4.05Å; K418-L423 HydrophobicContact CB-CG 4.28Å
419	D	95.1	Very high	95.7	Very high	100 Å²	100	70.5 Å²	70.5	54%	0.535	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.2	39.6	-176.7	-64.8	-58	0	0	0	112.5	L81 E393 Q421	L81-D419 HydrophobicContact CD1-CB 4.31Å; E393-D419 WeakPolarHBondContact OE1-CA 3.32Å; E393-D419 PolarHBondContact OE1-N 2.93Å; D419-Q421 PolarHBondContact O-N 2.95Å; D419-Q421 VanDerWaalsContact O-N 3.17Å
420	G	94.4	Very high	95.8	Very high	80 Å²	80	65.8 Å²	65.8	83%	0.825	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.7	6.4	-176	0	0	0	0	0	115.2	K418	K418-G420 PolarHBondContact O-N 2.86Å
421	Q	95.9	Very high	96	Very high	114 Å²	114	64.5 Å²	64.5	53%	0.533	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	133.2	-179.2	-65	175.3	70.6	0	0	111.2	L81 S417 K418 D419 L423	L81-Q421 HydrophobicContact CD2-CB 3.88Å; S417-Q421 CarbonylContact C-O 3.39Å; S417-Q421 WeakPolarHBondContact CA-O 3.4Å; S417-Q421 VanDerWaalsContact CB-O 3.27Å; S417-Q421 WeakPolarHBondContact CB-O 3.44Å; K418-Q421 PolarHBondContact N-O 3.5Å; K418-Q421 WeakPolarHBondContact O-CA 3.3Å; K418-Q421 WeakPolarHBondContact O-CB 3.39Å; K418-Q421 PolarHBondContact O-N 2.92Å; D419-Q421 PolarHBondContact O-N 2.95Å; D419-Q421 VanDerWaalsContact O-N 3.17Å; Q421-L423 PolarHBondContact O-N 3.07Å
422	K	96.8	Very high	95.9	Very high	140 Å²	140	55.6 Å²	55.6	61%	0.609	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.9	126.3	175.7	-177.6	170.1	179.8	164.6	0	110.7
423	L	97.3	Very high	95.6	Very high	5 Å²	5	52 Å²	52	3%	0.026	29%	0.286	C	S	.	.			trans	-75	128	175.9	-69.7	172.7	0	0	0	110.3	P80 L81 L388 V394 F416 K418 Q421	P80-L423 HydrophobicContact CB-CD2 4.07Å; P80-L423 HydrophobicContact CG-CD2 4.06Å; L81-L423 HydrophobicContact CD2-CD2 3.83Å; L81-L423 HydrophobicContact CG-CD2 4.4Å; L388-L423 HydrophobicContact CD1-CD1 3.71Å; V394-L423 HydrophobicContact CB-CD1 4.39Å; V394-L423 HydrophobicContact CG1-CD1 3.6Å; V394-L423 HydrophobicContact CG2-CD1 3.8Å; F416-L423 HydrophobicContact CB-CD1 4.47Å; F416-L423 PolarHBondContact O-N 2.89Å; K418-L423 HydrophobicContact CB-CD1 4.36Å; K418-L423 HydrophobicContact CB-CD2 4.05Å; K418-L423 HydrophobicContact CB-CG 4.28Å; Q421-L423 PolarHBondContact O-N 3.07Å
424	R	95	Very high	95	Very high	141 Å²	141	52.6 Å²	52.6	53%	0.532	30%	0.297	S	S	.	.	S	Bend	trans	-73.1	-32.1	170.1	-175.4	173.7	-173.1	-145.6	0.4	112.3	P84	P84-R424 HydrophobicContact CG-CB 3.91Å
425	Y	96.2	Very high	94.5	Very high	44 Å²	44	51 Å²	51	17%	0.173	29%	0.288	C	S	.	.			trans	-124.5	105.3	176	-57.5	-76.7	0	0	0	107.6	P84 I87 L388 M428	P84-Y425 HydrophobicContact CB-CE2 4.21Å; P84-Y425 HydrophobicContact CG-CD2 3.99Å; P84-Y425 HydrophobicContact CG-CE2 3.94Å; I87-Y425 HydrophobicContact CD1-CD2 3.82Å; I87-Y425 HydrophobicContact CD1-CE1 4.29Å; I87-Y425 HydrophobicContact CD1-CE2 3.41Å; I87-Y425 VanDerWaalsContact CD1-CE2 3.41Å; I87-Y425 HydrophobicContact CD1-CG 4.43Å; L388-Y425 VanDerWaalsContact CD2-O 3.29Å; L388-Y425 WeakPolarHBondContact CD2-O 3.5Å; Y425-M428 HydrophobicContact CG-SD 4.21Å
426	Y	96.9	Very high	94.3	Very high	41 Å²	41	51.2 Å²	51.2	16%	0.161	29%	0.288	C	S	.	.	S	Bend	trans	-102.7	-33.8	178	53.7	-93.4	0	0	0	111.5	Y395 F406 E412 T414 F416	Y395-Y426 PolarHBondContact OH-O 2.83Å; F406-Y426 HydrophobicContact CD1-CD2 4.5Å; F406-Y426 HydrophobicContact CD1-CE2 4.21Å; F406-Y426 HydrophobicContact CE1-CD2 4.03Å; F406-Y426 HydrophobicContact CE1-CE2 4.13Å; E412-Y426 PolarHBondContact OE1-OH 3.49Å; T414-Y426 WeakPolarHBondContact CG2-OH 3.19Å; F416-Y426 HydrophobicContact CB-CG 4.3Å; F416-Y426 HydrophobicContact CD2-CD1 4.12Å; F416-Y426 AromaticContact CD2-CD2 3.45Å; F416-Y426 HydrophobicContact CD2-CD2 3.45Å; F416-Y426 VanDerWaalsContact CD2-CD2 3.45Å; F416-Y426 HydrophobicContact CD2-CE2 4.05Å; F416-Y426 AromaticContact CD2-CG 3.51Å; F416-Y426 HydrophobicContact CD2-CG 3.51Å; F416-Y426 AromaticContact CE2-CD2 3.7Å; F416-Y426 HydrophobicContact CE2-CD2 3.7Å; F416-Y426 AromaticContact CE2-CE2 3.97Å; F416-Y426 HydrophobicContact CE2-CE2 3.97Å; F416-Y426 HydrophobicContact CE2-CG 4.24Å; F416-Y426 HydrophobicContact CG-CD2 4.38Å; F416-Y426 HydrophobicContact CG-CG 4.2Å
427	L	97.8	Very high	94.2	Very high	37 Å²	37	53 Å²	53	19%	0.194	30%	0.301	C	S	.	.			trans	-128.2	132.3	176.9	-176.4	61.4	0	0	0	109.3	R348 F406 P429	R348-L427 HydrophobicContact CB-CD1 3.79Å; R348-L427 HydrophobicContact CG-CD1 4.21Å; F406-L427 HydrophobicContact CE1-CB 4.35Å; F406-L427 HydrophobicContact CE1-CD2 4.07Å; F406-L427 HydrophobicContact CZ-CD1 4.39Å; F406-L427 HydrophobicContact CZ-CD2 3.97Å; L427-P429 HydrophobicContact CD1-CG 4.39Å; L427-P429 HydrophobicContact CG-CG 4.24Å
428	M	97.6	Very high	94.1	Very high	3 Å²	3	52.3 Å²	52.3	2%	0.015	30%	0.295	C	S	.	.			trans	-142.9	40.7	-172.9	-57.6	179.8	66.8	0	0	115.2	Y83 I87 L383 P385 H389 Y425 F430 G431 S432	Y83-M428 HydrophobicContact CD2-CE 4.27Å; Y83-M428 HydrophobicContact CD2-SD 3.55Å; Y83-M428 VanDerWaalsContact CD2-SD 3.55Å; Y83-M428 HydrophobicContact CE2-SD 3.79Å; I87-M428 HydrophobicContact CD1-CE 4.2Å; L383-M428 HydrophobicContact CD1-CE 4.47Å; P385-M428 HydrophobicContact CB-CB 3.85Å; P385-M428 HydrophobicContact CB-CG 4.47Å; P385-M428 HydrophobicContact CB-SD 4.23Å; P385-M428 HydrophobicContact CG-CB 3.91Å; P385-M428 HydrophobicContact CG-CE 4.21Å; P385-M428 HydrophobicContact CG-SD 3.92Å; H389-M428 PolarHBondContact NE2-N 3.31Å; Y425-M428 HydrophobicContact CG-SD 4.21Å; M428-F430 PolarHBondContact O-N 3.47Å; M428-G431 PolarHBondContact O-N 2.88Å; M428-S432 VanDerWaalsContact CE-OG 3.27Å; M428-S432 WeakPolarHBondContact CE-OG 3.46Å
429	P	96.9	Very high	94.1	Very high	15 Å²	15	52.8 Å²	52.8	10%	0.097	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-27.8	-179.3	28	-35.1	0	0	0	112.5	L347 S353 L427 I480	L347-P429 HydrophobicContact CB-CB 3.87Å; L347-P429 HydrophobicContact CB-CG 3.95Å; L347-P429 HydrophobicContact CD1-CB 4.26Å; L347-P429 HydrophobicContact CD1-CG 3.93Å; L347-P429 HydrophobicContact CD2-CB 4.49Å; L347-P429 HydrophobicContact CG-CB 4.44Å; S353-P429 PolarHBondContact OG-O 2.84Å; L427-P429 HydrophobicContact CD1-CG 4.39Å; L427-P429 HydrophobicContact CG-CG 4.24Å; P429-I480 HydrophobicContact CB-CD1 4.36Å
430	F	96.5	Very high	94.2	Very high	54 Å²	54	49.8 Å²	49.8	24%	0.237	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96	11.8	-179.2	-60.3	-69.6	0	0	0	114.2	L347 M428 M436 C437 R440 A443 I444	L347-F430 HydrophobicContact CD1-CE2 3.93Å; L347-F430 HydrophobicContact CD1-CZ 3.94Å; M428-F430 PolarHBondContact O-N 3.47Å; F430-M436 CarbonylContact O-C 3.51Å; F430-M436 WeakPolarHBondContact O-CA 3.35Å; F430-C437 HydrophobicContact CB-CB 4.03Å; F430-C437 HydrophobicContact CD1-CB 4.09Å; F430-C437 PolarHBondContact O-N 3.17Å; F430-R440 HydrophobicContact CB-CB 4.02Å; F430-R440 HydrophobicContact CD1-CB 3.63Å; F430-R440 HydrophobicContact CD2-CB 4.02Å; F430-R440 HydrophobicContact CE1-CB 4.06Å; F430-R440 HydrophobicContact CE2-CB 4.43Å; F430-R440 HydrophobicContact CG-CB 3.61Å; F430-R440 HydrophobicContact CZ-CB 4.44Å; F430-A443 HydrophobicContact CE1-CB 4.06Å; F430-A443 HydrophobicContact CZ-CB 4.44Å; F430-I444 HydrophobicContact CE2-CD1 3.93Å; F430-I444 HydrophobicContact CE2-CG1 4.1Å; F430-I444 HydrophobicContact CZ-CD1 3.84Å; F430-I444 HydrophobicContact CZ-CG1 4.02Å
431	G	93.4	Very high	94.3	Very high	19 Å²	19	51 Å²	51	20%	0.196	26%	0.263	C	S	.	.			trans	73.6	-157.8	-174.2	0	0	0	0	0	113.1	M428	M428-G431 PolarHBondContact O-N 2.88Å
432	S	91.7	Very high	94.5	Very high	3 Å²	3	46 Å²	46	2%	0.021	24%	0.24	C	C	.	.			trans	-162.4	164	-178.3	63.5	0	0	0	0	112.4	I87 N355 R357 M428 S434 S435 M436	I87-S432 WeakPolarHBondContact CD1-OG 3.34Å; I87-S432 WeakPolarHBondContact CG1-OG 3.4Å; N355-S432 PolarHBondContact ND2-N 3.18Å; N355-S432 PolarHBondContact ND2-OG 3.03Å; R357-S432 PolarHBondContact NH2-O 3.19Å; M428-S432 VanDerWaalsContact CE-OG 3.27Å; M428-S432 WeakPolarHBondContact CE-OG 3.46Å; S432-S434 PolarHBondContact O-N 3.13Å; S432-S435 PolarHBondContact O-N 2.83Å; S432-S435 PolarHBondContact O-OG 3.41Å; S432-S435 VanDerWaalsContact O-OG 3.05Å; S432-M436 PolarHBondContact O-N 3.44Å
433	G	88.3	Confident	94.5	Very high	40 Å²	40	39.8 Å²	39.8	41%	0.412	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	57.6	-136.7	178	0	0	0	0	0	112.2	S435 M436	G433-S435 PolarHBondContact O-N 3.25Å; G433-M436 WeakPolarHBondContact O-CB 3.41Å; G433-M436 PolarHBondContact O-N 2.77Å
434	S	82.3	Confident	94.6	Very high	71 Å²	71	40.7 Å²	40.7	50%	0.497	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-67.9	-10.8	-179.9	53.6	0	0	0	0	115.8	R357 S432	R357-S434 PolarHBondContact NE-OG 2.86Å; R357-S434 PolarHBondContact NH2-OG 3.26Å; S432-S434 PolarHBondContact O-N 3.13Å
435	S	84.6	Confident	94.8	Very high	20 Å²	20	34.4 Å²	34.4	14%	0.14	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-111.6	19	178.7	67	0	0	0	0	112	N355 R357 S432 G433	N355-S435 PolarHBondContact OD1-OG 3.43Å; R357-S435 VanDerWaalsContact CZ-OG 3.32Å; R357-S435 PolarHBondContact NH1-OG 3.04Å; R357-S435 VanDerWaalsContact NH2-N 3.1Å; R357-S435 PolarHBondContact NH2-OG 3.49Å; S432-S435 PolarHBondContact O-N 2.83Å; S432-S435 PolarHBondContact O-OG 3.41Å; S432-S435 VanDerWaalsContact O-OG 3.05Å; G433-S435 PolarHBondContact O-N 3.25Å
436	M	91.6	Very high	94.9	Very high	77 Å²	77	32.4 Å²	32.4	38%	0.379	19%	0.188	S	C	.	.	S	Bend	trans	-74.5	137.3	177.1	-170.7	167.2	57.3	0	0	110	F430 S432 G433 P438 R440	F430-M436 CarbonylContact O-C 3.51Å; F430-M436 WeakPolarHBondContact O-CA 3.35Å; S432-M436 PolarHBondContact O-N 3.44Å; G433-M436 WeakPolarHBondContact O-CB 3.41Å; G433-M436 PolarHBondContact O-N 2.77Å; M436-P438 WeakPolarHBondContact O-CD 3.32Å; M436-R440 VanDerWaalsContact CE-CZ 3.48Å
437	C	95	Very high	95	Very high	47 Å²	47	30.5 Å²	30.5	32%	0.318	18%	0.181	S	C	.	.			trans	-58.9	123	-179.8	178.9	0	0	0	0	110.8	F430 G439 R440	F430-C437 HydrophobicContact CB-CB 4.03Å; F430-C437 HydrophobicContact CD1-CB 4.09Å; F430-C437 PolarHBondContact O-N 3.17Å; C437-G439 VanDerWaalsContact C-N 3.33Å; C437-G439 PolarHBondContact SG-N 3Å; C437-R440 HydrophobicContact CB-CB 4.34Å; C437-R440 WeakPolarHBondContact O-CD 3.25Å; C437-R440 WeakPolarHBondContact O-CG 3.4Å; C437-R440 PolarHBondContact O-NH1 3.43Å
438	P	95.3	Very high	95	Very high	42 Å²	42	28.8 Å²	28.8	27%	0.273	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-32.5	177.6	25.4	-32	0	0	0	112.6	F128 M436 R440	F128-P438 HydrophobicContact CB-CB 3.69Å; F128-P438 HydrophobicContact CB-CG 4.25Å; F128-P438 HydrophobicContact CD1-CB 3.97Å; F128-P438 HydrophobicContact CD1-CG 3.63Å; F128-P438 HydrophobicContact CD2-CG 4.49Å; F128-P438 HydrophobicContact CE1-CG 4.04Å; F128-P438 HydrophobicContact CG-CB 3.91Å; F128-P438 HydrophobicContact CG-CG 3.89Å; M436-P438 WeakPolarHBondContact O-CD 3.32Å; P438-R440 VanDerWaalsContact C-N 3.3Å; P438-R440 PolarHBondContact O-N 2.88Å
439	G	97.2	Very high	95.1	Very high	16 Å²	16	28.7 Å²	28.7	17%	0.165	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	4.7	-178.9	0	0	0	0	0	115.2	C437 Y441 F442 A443	C437-G439 VanDerWaalsContact C-N 3.33Å; C437-G439 PolarHBondContact SG-N 3Å; G439-Y441 VanDerWaalsContact C-N 3.26Å; G439-Y441 PolarHBondContact O-N 2.68Å; G439-Y441 VanDerWaalsContact O-N 3.15Å; G439-F442 PolarHBondContact O-N 3.47Å; G439-F442 VanDerWaalsContact O-N 3.07Å; G439-A443 PolarHBondContact O-N 3.32Å
440	R	97.8	Very high	95.2	Very high	36 Å²	36	28 Å²	28	14%	0.136	17%	0.167	C	C	.	.	H	α-helix	trans	-54	-37	-172.8	67.4	-169.3	175.3	-74.7	-4.3	114.4	F430 M436 C437 P438 I444	F430-R440 HydrophobicContact CB-CB 4.02Å; F430-R440 HydrophobicContact CD1-CB 3.63Å; F430-R440 HydrophobicContact CD2-CB 4.02Å; F430-R440 HydrophobicContact CE1-CB 4.06Å; F430-R440 HydrophobicContact CE2-CB 4.43Å; F430-R440 HydrophobicContact CG-CB 3.61Å; F430-R440 HydrophobicContact CZ-CB 4.44Å; M436-R440 VanDerWaalsContact CE-CZ 3.48Å; C437-R440 HydrophobicContact CB-CB 4.34Å; C437-R440 WeakPolarHBondContact O-CD 3.25Å; C437-R440 WeakPolarHBondContact O-CG 3.4Å; C437-R440 PolarHBondContact O-NH1 3.43Å; P438-R440 VanDerWaalsContact C-N 3.3Å; P438-R440 PolarHBondContact O-N 2.88Å; R440-I444 WeakPolarHBondContact O-CG1 3.31Å; R440-I444 PolarHBondContact O-N 3.43Å; R440-I444 VanDerWaalsContact O-N 3.09Å
441	Y	97.4	Very high	95.3	Very high	106 Å²	106	25.4 Å²	25.4	42%	0.416	16%	0.156	S	C	.	.	H	α-helix	trans	-70.8	-43.7	179.1	-57.4	-70.3	0	0	0	111.4	Q132 L136 G439 A443 I444 N445	Q132-Y441 HydrophobicContact CB-CD2 3.82Å; Q132-Y441 HydrophobicContact CB-CE2 4.03Å; L136-Y441 VanDerWaalsContact CD2-CB 3.5Å; L136-Y441 HydrophobicContact CD2-CG 4.39Å; G439-Y441 VanDerWaalsContact C-N 3.26Å; G439-Y441 PolarHBondContact O-N 2.68Å; G439-Y441 VanDerWaalsContact O-N 3.15Å; Y441-A443 VanDerWaalsContact C-N 3.34Å; Y441-I444 PolarHBondContact O-N 2.87Å; Y441-N445 VanDerWaalsContact O-CG 3.29Å; Y441-N445 PolarHBondContact O-N 3.16Å; Y441-N445 PolarHBondContact O-OD1 3.37Å
442	F	98.3	Very high	95.5	Very high	10 Å²	10	24.5 Å²	24.5	4%	0.044	15%	0.146	C	C	.	.	H	α-helix	trans	-62.9	-42.2	173.8	179.7	-111.7	0	0	0	111.6	L136 L139 M143 T179 T182 G439 I444 N445 E446	L136-F442 HydrophobicContact CD1-CB 3.84Å; L136-F442 HydrophobicContact CD1-CD2 4.45Å; L139-F442 HydrophobicContact CB-CD2 4.41Å; L139-F442 HydrophobicContact CD2-CB 4.18Å; L139-F442 HydrophobicContact CD2-CD1 4.24Å; L139-F442 HydrophobicContact CD2-CD2 3.53Å; L139-F442 HydrophobicContact CD2-CE2 3.96Å; L139-F442 HydrophobicContact CD2-CG 3.69Å; L139-F442 HydrophobicContact CD2-CZ 4.48Å; L139-F442 HydrophobicContact CG-CD2 3.66Å; L139-F442 HydrophobicContact CG-CE2 3.64Å; L139-F442 HydrophobicContact CG-CG 4.31Å; L139-F442 HydrophobicContact CG-CZ 4.28Å; M143-F442 HydrophobicContact CB-CE2 3.81Å; M143-F442 HydrophobicContact CB-CZ 4.08Å; M143-F442 HydrophobicContact CG-CE2 4.19Å; M143-F442 HydrophobicContact CG-CZ 4.11Å; M143-F442 HydrophobicContact SD-CZ 4.38Å; T179-F442 HydrophobicContact CG2-CE1 4.45Å; T182-F442 HydrophobicContact CG2-CE2 4.11Å; T182-F442 HydrophobicContact CG2-CZ 3.81Å; G439-F442 PolarHBondContact O-N 3.47Å; G439-F442 VanDerWaalsContact O-N 3.07Å; F442-I444 PolarHBondContact O-N 3.44Å; F442-N445 PolarHBondContact O-N 3.13Å; F442-N445 VanDerWaalsContact O-N 3.15Å; F442-E446 WeakPolarHBondContact CE1-OE2 3.5Å; F442-E446 HydrophobicContact CZ-CB 4.28Å; F442-E446 WeakPolarHBondContact O-CG 3.37Å; F442-E446 PolarHBondContact O-N 3.07Å
443	A	98.6	Very high	95.9	Very high	9 Å²	9	24.4 Å²	24.4	7%	0.074	15%	0.145	C	C	.	.	H	α-helix	trans	-58.3	-45.6	177.7	0	0	0	0	0	112.4	F430 G439 Y441 E446 I447	F430-A443 HydrophobicContact CE1-CB 4.06Å; F430-A443 HydrophobicContact CZ-CB 4.44Å; G439-A443 PolarHBondContact O-N 3.32Å; Y441-A443 VanDerWaalsContact C-N 3.34Å; A443-E446 WeakPolarHBondContact O-CG 3.38Å; A443-I447 WeakPolarHBondContact O-CB 3.22Å; A443-I447 VanDerWaalsContact O-CD1 3.3Å; A443-I447 WeakPolarHBondContact O-CD1 3.35Å; A443-I447 WeakPolarHBondContact O-CG1 3.39Å; A443-I447 PolarHBondContact O-N 2.94Å; A443-I447 VanDerWaalsContact O-N 3.15Å
444	I	98.5	Very high	96.3	Very high	23 Å²	23	22.5 Å²	22.5	12%	0.118	13%	0.126	C	C	.	.	H	α-helix	trans	-64.4	-43.8	175.1	-67.5	-62.2	0	0	0	110.9	I343 L347 F430 R440 Y441 F442 I447 K448	I343-I444 HydrophobicContact CG2-CD1 3.8Å; L347-I444 HydrophobicContact CD1-CD1 4.12Å; F430-I444 HydrophobicContact CE2-CD1 3.93Å; F430-I444 HydrophobicContact CE2-CG1 4.1Å; F430-I444 HydrophobicContact CZ-CD1 3.84Å; F430-I444 HydrophobicContact CZ-CG1 4.02Å; R440-I444 WeakPolarHBondContact O-CG1 3.31Å; R440-I444 PolarHBondContact O-N 3.43Å; R440-I444 VanDerWaalsContact O-N 3.09Å; Y441-I444 PolarHBondContact O-N 2.87Å; F442-I444 PolarHBondContact O-N 3.44Å; I444-I447 PolarHBondContact O-N 3.13Å; I444-K448 HydrophobicContact CG2-CD 4.08Å; I444-K448 HydrophobicContact CG2-CG 4.26Å; I444-K448 WeakPolarHBondContact O-CB 3.39Å; I444-K448 WeakPolarHBondContact O-CG 3.47Å; I444-K448 PolarHBondContact O-N 3.33Å
445	N	98.5	Very high	97	Very high	9 Å²	9	19.2 Å²	19.2	5%	0.048	10%	0.102	C	C	.	.	H	α-helix	trans	-61.5	-46.9	179.6	-72.4	0.4	0	0	0	112.3	T140 L333 Y441 F442 I447 K448 Q449	T140-N445 HydrophobicContact CG2-CB 3.95Å; T140-N445 PolarHBondContact OG1-ND2 3.01Å; L333-N445 HydrophobicContact CD1-CB 4.12Å; Y441-N445 VanDerWaalsContact O-CG 3.29Å; Y441-N445 PolarHBondContact O-N 3.16Å; Y441-N445 PolarHBondContact O-OD1 3.37Å; F442-N445 PolarHBondContact O-N 3.13Å; F442-N445 VanDerWaalsContact O-N 3.15Å; N445-I447 PolarHBondContact O-N 3.35Å; N445-K448 PolarHBondContact O-N 2.63Å; N445-Q449 WeakPolarHBondContact O-CB 3.26Å; N445-Q449 VanDerWaalsContact O-CG 3.25Å; N445-Q449 WeakPolarHBondContact O-CG 3.43Å; N445-Q449 PolarHBondContact O-N 3.08Å
446	E	98.6	Very high	97.6	Very high	2 Å²	2	18.2 Å²	18.2	1%	0.009	10%	0.096	C	C	.	.	H	α-helix	trans	-67.2	-37.5	-178.6	70.3	-178.6	152.5	0	0	112.2	M143 M175 T179 T284 F442 A443 F450	M143-E446 HydrophobicContact CE-CB 3.7Å; M143-E446 HydrophobicContact CG-CB 3.72Å; M143-E446 HydrophobicContact SD-CB 4.38Å; M175-E446 HydrophobicContact CE-CB 4.01Å; M175-E446 HydrophobicContact CE-CG 3.71Å; T179-E446 PolarHBondContact OG1-OE2 3.32Å; T284-E446 VanDerWaalsContact CG2-CD 3.45Å; T284-E446 HydrophobicContact CG2-CG 3.91Å; T284-E446 VanDerWaalsContact CG2-OE1 3.23Å; T284-E446 WeakPolarHBondContact CG2-OE1 3.45Å; T284-E446 PolarHBondContact OG1-OE1 3.15Å; F442-E446 WeakPolarHBondContact CE1-OE2 3.5Å; F442-E446 HydrophobicContact CZ-CB 4.28Å; F442-E446 WeakPolarHBondContact O-CG 3.37Å; F442-E446 PolarHBondContact O-N 3.07Å; A443-E446 WeakPolarHBondContact O-CG 3.38Å; E446-F450 WeakPolarHBondContact O-CB 3.47Å; E446-F450 PolarHBondContact O-N 2.71Å
447	I	98.9	Very high	97.8	Very high	2 Å²	2	14.6 Å²	14.6	1%	0.01	8%	0.078	C	C	.	.	H	α-helix	trans	-65.4	-46.5	173.7	-64.2	164.9	0	0	0	110	T284 A287 A291 I343 A443 I444 N445 Q449 F450 V451	T284-I447 HydrophobicContact CG2-CG1 4.34Å; A287-I447 HydrophobicContact CB-CD1 3.72Å; A291-I447 HydrophobicContact CB-CG2 4.09Å; I343-I447 HydrophobicContact CD1-CB 4.34Å; I343-I447 HydrophobicContact CD1-CG2 3.71Å; I343-I447 HydrophobicContact CG1-CG2 3.86Å; I343-I447 HydrophobicContact CG2-CG2 4.18Å; A443-I447 WeakPolarHBondContact O-CB 3.22Å; A443-I447 VanDerWaalsContact O-CD1 3.3Å; A443-I447 WeakPolarHBondContact O-CD1 3.35Å; A443-I447 WeakPolarHBondContact O-CG1 3.39Å; A443-I447 PolarHBondContact O-N 2.94Å; A443-I447 VanDerWaalsContact O-N 3.15Å; I444-I447 PolarHBondContact O-N 3.13Å; N445-I447 PolarHBondContact O-N 3.35Å; I447-Q449 PolarHBondContact O-N 3.41Å; I447-F450 PolarHBondContact O-N 3.02Å; I447-V451 HydrophobicContact CG2-CG2 4.36Å; I447-V451 WeakPolarHBondContact O-CG2 3.44Å; I447-V451 PolarHBondContact O-N 3.34Å
448	K	98.8	Very high	97.8	Very high	1 Å²	1	12.3 Å²	12.3	0%	0.004	6%	0.063	C	C	.	.	H	α-helix	trans	-57.6	-48.6	176.9	-78.3	-174.7	167.9	-167.4	0	111.2	L333 L336 L339 E340 I343 I444 N445 F450 V451 C452	L333-K448 HydrophobicContact CB-CD 4.27Å; L333-K448 HydrophobicContact CD2-CB 4Å; L333-K448 PolarHBondContact O-NZ 2.9Å; L336-K448 PolarHBondContact O-NZ 3.4Å; L339-K448 HydrophobicContact CD2-CB 3.93Å; L339-K448 HydrophobicContact CD2-CG 3.88Å; L339-K448 HydrophobicContact CG-CG 4.13Å; E340-K448 WeakPolarHBondContact OE2-CE 3.38Å; E340-K448 IonicContact OE2-NZ 3.77Å; E340-K448 PolarHBondContact OE2-NZ 3.43Å; I343-K448 HydrophobicContact CD1-CB 4.3Å; I343-K448 HydrophobicContact CD1-CG 3.44Å; I343-K448 VanDerWaalsContact CD1-CG 3.44Å; I444-K448 HydrophobicContact CG2-CD 4.08Å; I444-K448 HydrophobicContact CG2-CG 4.26Å; I444-K448 WeakPolarHBondContact O-CB 3.39Å; I444-K448 WeakPolarHBondContact O-CG 3.47Å; I444-K448 PolarHBondContact O-N 3.33Å; N445-K448 PolarHBondContact O-N 2.63Å; K448-F450 PolarHBondContact O-N 2.8Å; K448-V451 PolarHBondContact O-N 3.47Å; K448-C452 WeakPolarHBondContact O-CB 3.37Å; K448-C452 PolarHBondContact O-N 2.67Å; K448-C452 PolarHBondContact O-SG 2.91Å
449	Q	98.9	Very high	97.9	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-60.4	-47.2	179.7	-73.2	171.8	-25.2	0	0	111.5	T140 M143 M144 L147 L333 N445 I447 V451 C452 L453	T140-Q449 VanDerWaalsContact CG2-NE2 3.25Å; T140-Q449 PolarHBondContact O-NE2 2.94Å; M143-Q449 VanDerWaalsContact CG-OE1 3.27Å; M144-Q449 HydrophobicContact SD-CB 3.95Å; M144-Q449 HydrophobicContact SD-CG 3.7Å; L147-Q449 HydrophobicContact CD1-CB 3.52Å; L333-Q449 HydrophobicContact CD1-CG 3.74Å; L333-Q449 HydrophobicContact CD2-CG 4.01Å; L333-Q449 HydrophobicContact CG-CG 4.49Å; N445-Q449 WeakPolarHBondContact O-CB 3.26Å; N445-Q449 VanDerWaalsContact O-CG 3.25Å; N445-Q449 WeakPolarHBondContact O-CG 3.43Å; N445-Q449 PolarHBondContact O-N 3.08Å; I447-Q449 PolarHBondContact O-N 3.41Å; Q449-V451 PolarHBondContact O-N 3.48Å; Q449-C452 WeakPolarHBondContact O-CB 3.4Å; Q449-C452 PolarHBondContact O-N 3.16Å; Q449-L453 WeakPolarHBondContact O-CG 3.42Å; Q449-L453 PolarHBondContact O-N 2.82Å
450	F	98.8	Very high	97.8	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-58.2	-49	176.4	174.7	-86.9	0	0	0	111.9	L147 F151 F170 C171 V174 M175 T288 A292 E446 I447 K448 C452 L453 L454	L147-F450 HydrophobicContact CD1-CB 4.35Å; L147-F450 HydrophobicContact CD2-CB 4.33Å; L147-F450 HydrophobicContact CD2-CD2 4.1Å; F151-F450 AromaticContact CE2-CD2 3.89Å; F151-F450 HydrophobicContact CE2-CD2 3.89Å; F151-F450 HydrophobicContact CE2-CE2 4.01Å; F151-F450 HydrophobicContact CZ-CD2 4.07Å; F151-F450 AromaticContact CZ-CE2 3.98Å; F151-F450 HydrophobicContact CZ-CE2 3.98Å; F170-F450 AromaticContact CD1-CZ 3.98Å; F170-F450 HydrophobicContact CD1-CZ 3.98Å; F170-F450 HydrophobicContact CE1-CE2 4.12Å; F170-F450 AromaticContact CE1-CZ 3.74Å; F170-F450 HydrophobicContact CE1-CZ 3.74Å; C171-F450 HydrophobicContact CB-CZ 4.27Å; V174-F450 HydrophobicContact CB-CD2 4.46Å; V174-F450 HydrophobicContact CB-CE2 3.88Å; V174-F450 HydrophobicContact CG1-CD2 3.93Å; V174-F450 HydrophobicContact CG1-CE2 3.77Å; M175-F450 HydrophobicContact CG-CD2 3.93Å; M175-F450 HydrophobicContact CG-CE2 4.31Å; M175-F450 HydrophobicContact CG-CG 4.28Å; M175-F450 HydrophobicContact SD-CB 3.51Å; M175-F450 VanDerWaalsContact SD-CB 3.51Å; M175-F450 HydrophobicContact SD-CD2 3.59Å; M175-F450 VanDerWaalsContact SD-CD2 3.59Å; M175-F450 HydrophobicContact SD-CG 3.68Å; T288-F450 HydrophobicContact CG2-CB 4.31Å; T288-F450 HydrophobicContact CG2-CD1 3.15Å; T288-F450 HydrophobicContact CG2-CD2 4.31Å; T288-F450 HydrophobicContact CG2-CE1 3.39Å; T288-F450 HydrophobicContact CG2-CE2 4.5Å; T288-F450 HydrophobicContact CG2-CG 3.67Å; T288-F450 HydrophobicContact CG2-CZ 4.08Å; A292-F450 HydrophobicContact CB-CE1 4.49Å; E446-F450 WeakPolarHBondContact O-CB 3.47Å; E446-F450 PolarHBondContact O-N 2.71Å; I447-F450 PolarHBondContact O-N 3.02Å; K448-F450 PolarHBondContact O-N 2.8Å; F450-C452 VanDerWaalsContact C-N 3.32Å; F450-C452 PolarHBondContact O-N 2.88Å; F450-L453 PolarHBondContact O-N 3.17Å; F450-L454 HydrophobicContact CE1-CB 4.47Å; F450-L454 HydrophobicContact CE1-CD2 4.03Å; F450-L454 WeakPolarHBondContact O-CB 3.43Å; F450-L454 PolarHBondContact O-N 3.5Å
451	V	98.7	Very high	97.7	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.006	7%	0.068	C	C	.	.	H	α-helix	trans	-64.8	-38	180	175.2	0	0	0	0	111	A291 L295 L339 I447 K448 Q449 L453 L454 L455	A291-V451 HydrophobicContact CB-CG2 4.3Å; L295-V451 HydrophobicContact CD1-CG1 3.57Å; L339-V451 HydrophobicContact CD1-CB 3.99Å; L339-V451 HydrophobicContact CD1-CG1 3.49Å; L339-V451 VanDerWaalsContact CD1-CG1 3.49Å; I447-V451 HydrophobicContact CG2-CG2 4.36Å; I447-V451 WeakPolarHBondContact O-CG2 3.44Å; I447-V451 PolarHBondContact O-N 3.34Å; K448-V451 PolarHBondContact O-N 3.47Å; Q449-V451 PolarHBondContact O-N 3.48Å; V451-L453 PolarHBondContact O-N 3.48Å; V451-L454 PolarHBondContact O-N 2.88Å; V451-L455 HydrophobicContact CG1-CD1 3.94Å; V451-L455 HydrophobicContact CG1-CG 4.07Å; V451-L455 WeakPolarHBondContact O-CB 3.4Å; V451-L455 WeakPolarHBondContact O-CG 3.29Å; V451-L455 PolarHBondContact O-N 3.28Å
452	C	98.6	Very high	97.6	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-58	-49.4	174	-70.5	0	0	0	0	111.3	I309 L328 L336 K448 Q449 F450 L454 L455 L456	I309-C452 HydrophobicContact CD1-CB 4.33Å; I309-C452 HydrophobicContact CG2-CB 4.26Å; L328-C452 HydrophobicContact CD1-CB 3.39Å; L336-C452 VanDerWaalsContact CD1-SG 3.54Å; K448-C452 WeakPolarHBondContact O-CB 3.37Å; K448-C452 PolarHBondContact O-N 2.67Å; K448-C452 PolarHBondContact O-SG 2.91Å; Q449-C452 WeakPolarHBondContact O-CB 3.4Å; Q449-C452 PolarHBondContact O-N 3.16Å; F450-C452 VanDerWaalsContact C-N 3.32Å; F450-C452 PolarHBondContact O-N 2.88Å; C452-L454 VanDerWaalsContact C-N 3.33Å; C452-L454 PolarHBondContact O-N 3.31Å; C452-L455 PolarHBondContact O-N 3.45Å; C452-L456 WeakPolarHBondContact O-CB 3.19Å; C452-L456 WeakPolarHBondContact O-CG 3.4Å; C452-L456 PolarHBondContact O-N 3.49Å
453	L	98.4	Very high	97.4	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-61.6	-43.4	176.9	-65.2	-170.4	0	0	0	112.2	M144 L147 M148 F151 V326 Q449 F450 V451 L455 Y457	M144-L453 HydrophobicContact CE-CD1 3.64Å; M144-L453 HydrophobicContact CE-CD2 3.48Å; M144-L453 VanDerWaalsContact CE-CD2 3.48Å; M144-L453 HydrophobicContact CE-CG 3.66Å; L147-L453 HydrophobicContact CB-CD1 3.77Å; M148-L453 HydrophobicContact CE-CD1 3.63Å; M148-L453 HydrophobicContact CE-CD2 3.19Å; M148-L453 HydrophobicContact CE-CG 4.02Å; F151-L453 HydrophobicContact CD1-CB 4.05Å; F151-L453 HydrophobicContact CD1-CD1 4.41Å; F151-L453 HydrophobicContact CD2-CB 4.47Å; F151-L453 HydrophobicContact CD2-CD1 3.75Å; F151-L453 HydrophobicContact CE1-CB 3.59Å; F151-L453 HydrophobicContact CE2-CB 4.03Å; F151-L453 HydrophobicContact CE2-CD1 3.84Å; F151-L453 HydrophobicContact CG-CB 4.48Å; F151-L453 HydrophobicContact CG-CD1 4.04Å; F151-L453 HydrophobicContact CZ-CB 3.59Å; F151-L453 HydrophobicContact CZ-CD1 4.27Å; V326-L453 HydrophobicContact CG1-CD2 3.4Å; Q449-L453 WeakPolarHBondContact O-CG 3.42Å; Q449-L453 PolarHBondContact O-N 2.82Å; F450-L453 PolarHBondContact O-N 3.17Å; V451-L453 PolarHBondContact O-N 3.48Å; L453-L455 VanDerWaalsContact C-N 3.35Å; L453-L455 PolarHBondContact O-N 2.97Å; L453-Y457 HydrophobicContact CD2-CD2 4.23Å; L453-Y457 HydrophobicContact CD2-CE2 3.75Å; L453-Y457 WeakPolarHBondContact O-CB 3.48Å; L453-Y457 VanDerWaalsContact O-CD2 3.32Å; L453-Y457 WeakPolarHBondContact O-CD2 3.49Å; L453-Y457 PolarHBondContact O-N 2.89Å
454	L	97.7	Very high	97.1	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.005	10%	0.1	C	C	.	.	H	α-helix	trans	-57.8	-48.1	178.1	-173.7	65.1	0	0	0	111.3	F170 A292 F450 V451 C452 F458 L460	F170-L454 HydrophobicContact CE1-CD1 3.81Å; F170-L454 HydrophobicContact CZ-CD1 4.26Å; A292-L454 HydrophobicContact CB-CD2 3.77Å; F450-L454 HydrophobicContact CE1-CB 4.47Å; F450-L454 HydrophobicContact CE1-CD2 4.03Å; F450-L454 WeakPolarHBondContact O-CB 3.43Å; F450-L454 PolarHBondContact O-N 3.5Å; V451-L454 PolarHBondContact O-N 2.88Å; C452-L454 VanDerWaalsContact C-N 3.33Å; C452-L454 PolarHBondContact O-N 3.31Å; L454-F458 HydrophobicContact CD1-CD2 4.2Å; L454-F458 WeakPolarHBondContact O-CB 3.47Å; L454-F458 PolarHBondContact O-N 2.96Å; L454-L460 HydrophobicContact CD1-CD1 4.19Å; L454-L460 HydrophobicContact CD1-CD2 3.72Å; L454-L460 HydrophobicContact CD2-CD1 4.2Å; L454-L460 HydrophobicContact CG-CD1 3.71Å; L454-L460 HydrophobicContact CG-CD2 4.19Å
455	L	97.3	Very high	96.5	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-78.5	-30.3	-176.6	-63.6	-171.4	0	0	0	114	L295 L302 V305 R306 I309 V451 C452 L453 L460 R494	L295-L455 HydrophobicContact CD1-CD1 4.49Å; L302-L455 HydrophobicContact CD1-CD2 4.06Å; L302-L455 HydrophobicContact CG-CD2 4.03Å; V305-L455 HydrophobicContact CB-CD1 4.24Å; V305-L455 HydrophobicContact CG1-CD1 3.75Å; R306-L455 HydrophobicContact CB-CB 4.48Å; R306-L455 PolarHBondContact NE-O 2.98Å; I309-L455 HydrophobicContact CD1-CB 4.24Å; I309-L455 HydrophobicContact CD1-CD1 4.06Å; V451-L455 HydrophobicContact CG1-CD1 3.94Å; V451-L455 HydrophobicContact CG1-CG 4.07Å; V451-L455 WeakPolarHBondContact O-CB 3.4Å; V451-L455 WeakPolarHBondContact O-CG 3.29Å; V451-L455 PolarHBondContact O-N 3.28Å; C452-L455 PolarHBondContact O-N 3.45Å; L453-L455 VanDerWaalsContact C-N 3.35Å; L453-L455 PolarHBondContact O-N 2.97Å; L455-L460 HydrophobicContact CD2-CD1 3.75Å; L455-R494 PolarHBondContact O-NH1 3.15Å
456	L	96.3	Very high	96.2	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-73.5	-44.8	178.3	-77.5	172.8	0	0	0	111.7	I309 V310 L313 F320 V326 C452 R494	I309-L456 HydrophobicContact CG2-CD1 3.74Å; I309-L456 HydrophobicContact CG2-CD2 3.87Å; I309-L456 HydrophobicContact CG2-CG 3.8Å; V310-L456 HydrophobicContact CG2-CD2 4.01Å; L313-L456 HydrophobicContact CD1-CD1 3.85Å; L313-L456 HydrophobicContact CD1-CD2 4.12Å; F320-L456 HydrophobicContact CD1-CD2 4.08Å; F320-L456 HydrophobicContact CD2-CD1 4.45Å; F320-L456 HydrophobicContact CE1-CB 4.02Å; F320-L456 HydrophobicContact CE1-CD2 4.18Å; F320-L456 WeakPolarHBondContact CE1-O 3.39Å; F320-L456 HydrophobicContact CE2-CB 4.08Å; F320-L456 HydrophobicContact CE2-CD1 4.34Å; F320-L456 HydrophobicContact CG-CD2 4.28Å; F320-L456 HydrophobicContact CZ-CB 3.68Å; F320-L456 HydrophobicContact CZ-CD2 4.48Å; V326-L456 HydrophobicContact CG1-CD1 4.19Å; V326-L456 HydrophobicContact CG2-CD1 4.47Å; C452-L456 WeakPolarHBondContact O-CB 3.19Å; C452-L456 WeakPolarHBondContact O-CG 3.4Å; C452-L456 PolarHBondContact O-N 3.49Å; L456-R494 WeakPolarHBondContact O-CD 3.31Å; L456-R494 PolarHBondContact O-NH1 3.37Å
457	Y	96.4	Very high	95.8	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-91.4	-24.4	-171.6	-73.4	-98.3	0	0	0	114.2	M148 R152 L156 F320 T322 S324 V326 L453 L493 R494	M148-Y457 HydrophobicContact CE-CE2 4.02Å; R152-Y457 PolarHBondContact NH2-OH 2.83Å; L156-Y457 HydrophobicContact CD1-CD1 3.66Å; L156-Y457 HydrophobicContact CD1-CE1 3.57Å; L156-Y457 HydrophobicContact CD1-CG 4.39Å; L156-Y457 HydrophobicContact CD2-CD1 3.55Å; L156-Y457 HydrophobicContact CD2-CE1 4.33Å; L156-Y457 HydrophobicContact CD2-CG 3.95Å; L156-Y457 HydrophobicContact CG-CD1 4.27Å; F320-Y457 HydrophobicContact CE2-CD2 4.23Å; F320-Y457 HydrophobicContact CE2-CE1 4.27Å; F320-Y457 AromaticContact CE2-CE2 3.63Å; F320-Y457 HydrophobicContact CE2-CE2 3.63Å; F320-Y457 AromaticContact CE2-CZ 3.68Å; F320-Y457 HydrophobicContact CZ-CD1 4.33Å; F320-Y457 AromaticContact CZ-CD2 4Å; F320-Y457 HydrophobicContact CZ-CD2 4Å; F320-Y457 HydrophobicContact CZ-CE1 4.23Å; F320-Y457 AromaticContact CZ-CE2 3.86Å; F320-Y457 HydrophobicContact CZ-CE2 3.86Å; F320-Y457 HydrophobicContact CZ-CG 4.25Å; T322-Y457 HydrophobicContact CG2-CD1 4.45Å; T322-Y457 WeakPolarHBondContact O-CE1 3.39Å; S324-Y457 PolarHBondContact O-OH 3.28Å; V326-Y457 HydrophobicContact CG1-CE2 3.75Å; V326-Y457 PolarHBondContact N-OH 3.32Å; L453-Y457 HydrophobicContact CD2-CD2 4.23Å; L453-Y457 HydrophobicContact CD2-CE2 3.75Å; L453-Y457 WeakPolarHBondContact O-CB 3.48Å; L453-Y457 VanDerWaalsContact O-CD2 3.32Å; L453-Y457 WeakPolarHBondContact O-CD2 3.49Å; L453-Y457 PolarHBondContact O-N 2.89Å; Y457-L493 WeakPolarHBondContact O-CA 3.22Å; Y457-R494 PolarHBondContact O-N 3.25Å
458	F	96.1	Very high	95.4	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	138.7	-169.9	-57.8	-70.9	0	0	0	115.1	F151 H155 L156 R306 L454 L460 Y491 R492 L493 R494	F151-F458 AromaticContact CD1-CE2 3.74Å; F151-F458 HydrophobicContact CD1-CE2 3.74Å; F151-F458 HydrophobicContact CD1-CZ 4.4Å; F151-F458 HydrophobicContact CE1-CD2 4.32Å; F151-F458 AromaticContact CE1-CE2 3.65Å; F151-F458 HydrophobicContact CE1-CE2 3.65Å; H155-F458 HydrophobicContact CB-CZ 3.76Å; L156-F458 HydrophobicContact CD2-CE1 4.04Å; L156-F458 HydrophobicContact CD2-CE2 4.18Å; L156-F458 HydrophobicContact CD2-CZ 3.5Å; L156-F458 VanDerWaalsContact CD2-CZ 3.5Å; R306-F458 PolarHBondContact NH2-O 3.44Å; L454-F458 HydrophobicContact CD1-CD2 4.2Å; L454-F458 WeakPolarHBondContact O-CB 3.47Å; L454-F458 PolarHBondContact O-N 2.96Å; F458-L460 HydrophobicContact CB-CD2 3.78Å; F458-L460 HydrophobicContact CB-CG 4.08Å; F458-Y491 AromaticContact CD1-CD2 3.74Å; F458-Y491 HydrophobicContact CD1-CD2 3.74Å; F458-Y491 AromaticContact CE1-CD2 3.8Å; F458-Y491 HydrophobicContact CE1-CD2 3.8Å; F458-Y491 HydrophobicContact CE1-CE2 4.19Å; F458-Y491 HydrophobicContact CG-CD2 4.28Å; F458-Y491 HydrophobicContact CZ-CD2 4.37Å; F458-R492 CarbonylContact C-O 3.59Å; F458-R492 VanDerWaalsContact CA-O 3.24Å; F458-R492 WeakPolarHBondContact CA-O 3.48Å; F458-R492 WeakPolarHBondContact CD1-O 3.45Å; F458-L493 HydrophobicContact CD1-CD2 4.11Å; F458-L493 HydrophobicContact CE1-CD2 3.6Å; F458-L493 HydrophobicContact CE1-CG 4.3Å; F458-L493 HydrophobicContact CZ-CD2 4.3Å; F458-R494 WeakPolarHBondContact O-CD 3.03Å
459	D	95.4	Very high	95.2	Very high	42 Å²	42	42.1 Å²	42.1	23%	0.225	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	135.1	153.1	-74.1	-26.1	0	0	0	107.1	W162 Y491 R492 R494	W162-D459 HydrophobicContact CH2-CB 3.68Å; W162-D459 HydrophobicContact CZ2-CB 4.21Å; W162-D459 HydrophobicContact CZ3-CB 4.32Å; W162-D459 WeakPolarHBondContact CZ3-O 3.25Å; D459-Y491 WeakPolarHBondContact O-CA 3.36Å; D459-R492 HydrophobicContact CB-CG 3.85Å; D459-R492 PolarHBondContact N-O 3.39Å; D459-R492 PolarHBondContact O-N 3.09Å; D459-R492 VanDerWaalsContact O-N 3.15Å; D459-R492 IonicContact OD2-CZ 3.71Å; D459-R492 IonicContact OD2-NE 3.47Å; D459-R492 PolarHBondContact OD2-NE 2.82Å; D459-R492 IonicContact OD2-NH2 3.28Å; D459-R492 PolarHBondContact OD2-NH2 3.22Å; D459-R494 VanDerWaalsContact N-CG 3.29Å
460	L	96.2	Very high	95	Very high	16 Å²	16	43.6 Å²	43.6	8%	0.084	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	133.9	-169.9	-59.4	160.5	0	0	0	109.7	V296 L302 L454 L455 F458 F489	V296-L460 HydrophobicContact CG1-CB 3.96Å; V296-L460 HydrophobicContact CG2-CB 4Å; V296-L460 HydrophobicContact CG2-CD1 3.82Å; V296-L460 HydrophobicContact CG2-CG 4.46Å; L302-L460 HydrophobicContact CD1-CD1 4.4Å; L454-L460 HydrophobicContact CD1-CD1 4.19Å; L454-L460 HydrophobicContact CD1-CD2 3.72Å; L454-L460 HydrophobicContact CD2-CD1 4.2Å; L454-L460 HydrophobicContact CG-CD1 3.71Å; L454-L460 HydrophobicContact CG-CD2 4.19Å; L455-L460 HydrophobicContact CD2-CD1 3.75Å; F458-L460 HydrophobicContact CB-CD2 3.78Å; F458-L460 HydrophobicContact CB-CG 4.08Å; L460-F489 HydrophobicContact CD2-CD2 4.28Å; L460-F489 HydrophobicContact CD2-CE2 4Å
461	Q	95.3	Very high	94.8	Very high	80 Å²	80	46.6 Å²	46.6	37%	0.374	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	132	175.5	-64.5	178.3	-2.8	0	0	110.3	W162 F489 R490	W162-Q461 HydrophobicContact CH2-CB 4.38Å; W162-Q461 HydrophobicContact CH2-CG 3.75Å; W162-Q461 HydrophobicContact CZ2-CG 4.46Å; W162-Q461 HydrophobicContact CZ3-CB 4.48Å; W162-Q461 HydrophobicContact CZ3-CG 4.31Å; Q461-F489 CarbonylContact O-C 3.44Å; Q461-F489 WeakPolarHBondContact O-CA 3.37Å; Q461-F489 WeakPolarHBondContact O-CB 3.27Å; Q461-R490 HydrophobicContact CB-CG 3.94Å; Q461-R490 PolarHBondContact N-O 3.08Å; Q461-R490 PolarHBondContact O-N 2.85Å
462	L	95.9	Very high	94.6	Very high	42 Å²	42	48.5 Å²	48.5	22%	0.22	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	143.4	166	-56.4	-174.6	0	0	0	108.9	L167 Y293 V296 V487 F489	L167-L462 HydrophobicContact CD2-CD2 4.38Å; Y293-L462 HydrophobicContact CD2-CD1 4.22Å; Y293-L462 HydrophobicContact CE2-CD1 3.79Å; V296-L462 HydrophobicContact CB-CD2 4.34Å; V296-L462 HydrophobicContact CG1-CD2 3.77Å; V296-L462 HydrophobicContact CG1-CG 3.93Å; L462-V487 HydrophobicContact CD2-CG1 3.86Å; L462-F489 HydrophobicContact CD2-CB 4.1Å
463	E	94.2	Very high	94.2	Very high	39 Å²	39	51 Å²	51	18%	0.182	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-71.9	145.1	173.5	-64.4	-164.4	162.7	0	0	111.4	R164 Q466 R488	R164-E463 VanDerWaalsContact CD-OE1 3.28Å; R164-E463 WeakPolarHBondContact CD-OE1 3.32Å; R164-E463 WeakPolarHBondContact CG-OE1 3.39Å; R164-E463 IonicContact NE-OE1 2.68Å; E463-Q466 VanDerWaalsContact N-NE2 3.19Å; E463-Q466 WeakPolarHBondContact O-CG 3.46Å; E463-Q466 PolarHBondContact O-NE2 3.48Å; E463-R488 HydrophobicContact CB-CB 4.14Å; E463-R488 HydrophobicContact CG-CB 4.02Å; E463-R488 PolarHBondContact N-O 2.94Å; E463-R488 VanDerWaalsContact N-O 3.07Å; E463-R488 IonicContact OE2-CZ 3.25Å; E463-R488 IonicContact OE2-NE 2.77Å; E463-R488 IonicContact OE2-NH1 3.47Å; E463-R488 PolarHBondContact OE2-NH1 2.81Å
464	D	90.8	Very high	93.6	Very high	152 Å²	152	54 Å²	54	81%	0.813	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	158.1	177.9	-63.5	-46.5	0	0	0	112.3	Q466	D464-Q466 VanDerWaalsContact C-N 3.27Å; D464-Q466 PolarHBondContact O-N 3.13Å
465	G	87.4	Confident	93.1	Very high	85 Å²	85	54 Å²	54	88%	0.876	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.3	9.8	172.1	0	0	0	0	0	115.5
466	Q	91.8	Very high	92.7	Very high	47 Å²	47	54.8 Å²	54.8	22%	0.22	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-95.5	152	170.2	69.7	-171.5	-40.7	0	0	112	E463 D464 R488	E463-Q466 VanDerWaalsContact N-NE2 3.19Å; E463-Q466 WeakPolarHBondContact O-CG 3.46Å; E463-Q466 PolarHBondContact O-NE2 3.48Å; D464-Q466 VanDerWaalsContact C-N 3.27Å; D464-Q466 PolarHBondContact O-N 3.13Å; Q466-R488 PolarHBondContact NE2-O 3.11Å
467	N	89.4	Confident	92.4	Very high	144 Å²	144	55.4 Å²	55.4	77%	0.77	32%	0.315	S	S	*	.	P	Polyproline II helix	trans	-73.3	149.2	172.9	-67.7	-36.5	0	0	0	110.5
468	R	91.4	Very high	92.2	Very high	221 Å²	221	57.2 Å²	57.2	83%	0.834	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-63.8	134.7	167.5	-64.4	-177.3	179.7	177.5	-0.3	108.8	G470	R468-G470 PolarHBondContact O-N 3.21Å
469	P	94.6	Very high	92.1	Very high	13 Å²	13	57.4 Å²	57.4	8%	0.084	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-65.1	135.2	176.3	31.9	-36.1	0	0	0	109.5	F289 W290 Y293 P483 S485 V487	F289-P469 HydrophobicContact CZ-CG 4.24Å; W290-P469 HydrophobicContact CH2-CB 4.08Å; W290-P469 HydrophobicContact CH2-CG 3.93Å; W290-P469 HydrophobicContact CZ3-CG 3.85Å; Y293-P469 HydrophobicContact CD1-CG 4.3Å; Y293-P469 HydrophobicContact CD2-CG 4.28Å; Y293-P469 HydrophobicContact CE1-CG 3.92Å; Y293-P469 HydrophobicContact CE2-CG 3.9Å; Y293-P469 HydrophobicContact CG-CG 4.48Å; Y293-P469 VanDerWaalsContact OH-CD 3.31Å; Y293-P469 WeakPolarHBondContact OH-CD 3.48Å; P469-P483 HydrophobicContact CB-CB 4.05Å; P469-S485 WeakPolarHBondContact CB-O 3.41Å; P469-V487 HydrophobicContact CB-CG2 3.94Å; P469-V487 HydrophobicContact CG-CG2 3.55Å
470	G	94.4	Very high	92.2	Very high	32 Å²	32	55.8 Å²	55.8	33%	0.33	32%	0.318	S	S	.	.			trans	-84.1	-178.9	166.2	0	0	0	0	0	111.3	R468 P483 S484	R468-G470 PolarHBondContact O-N 3.21Å; G470-P483 CarbonylContact O-C 3.53Å; G470-P483 WeakPolarHBondContact O-CA 3.38Å; G470-S484 WeakPolarHBondContact CA-OG 3.41Å; G470-S484 PolarHBondContact N-OG 3.06Å; G470-S484 PolarHBondContact O-N 2.81Å; G470-S484 PolarHBondContact O-OG 3.29Å
471	L	95.2	Very high	92.3	Very high	62 Å²	62	55.3 Å²	55.3	33%	0.325	32%	0.316	S	S	.	.	B	Isolated β-bridge	trans	-91	133	171.5	-57.1	168.9	0	0	0	108.9	W290 L349 P473 L481	W290-L471 HydrophobicContact CH2-CD2 4.06Å; W290-L471 HydrophobicContact CZ2-CD2 3.51Å; L349-L471 WeakPolarHBondContact O-CD1 3.1Å; L471-P473 VanDerWaalsContact O-CD 3.27Å; L471-P473 WeakPolarHBondContact O-CD 3.2Å; L471-L481 HydrophobicContact CB-CB 4.11Å; L471-L481 HydrophobicContact CB-CD1 3.68Å; L471-L481 HydrophobicContact CD1-CD1 4.12Å; L471-L481 HydrophobicContact CD2-CB 4.15Å; L471-L481 HydrophobicContact CG-CD1 4.35Å
472	D	93.8	Very high	92.3	Very high	42 Å²	42	52.4 Å²	52.4	23%	0.225	30%	0.303	C	S	.	.			trans	-73.5	112.6	171.5	177.3	7.7	0	0	0	110.1	S474 L481 L482	D472-S474 PolarHBondContact O-N 2.94Å; D472-S474 WeakPolarHBondContact OD1-CB 3.42Å; D472-S474 PolarHBondContact OD1-N 2.97Å; D472-S474 PolarHBondContact OD1-OG 3.36Å; D472-S474 PolarHBondContact OD2-OG 3Å; D472-L481 WeakPolarHBondContact O-CD2 3.49Å; D472-L482 HydrophobicContact CB-CB 4.1Å; D472-L482 PolarHBondContact N-O 3.05Å
473	P	90.3	Very high	92.3	Very high	52 Å²	52	51.2 Å²	51.2	34%	0.338	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-72.2	-12.5	-177.8	31.9	-36.5	0	0	0	113.3	K48 L471 R475 A476	K48-P473 WeakPolarHBondContact O-CB 3.41Å; K48-P473 WeakPolarHBondContact O-CG 3.49Å; L471-P473 VanDerWaalsContact O-CD 3.27Å; L471-P473 WeakPolarHBondContact O-CD 3.2Å; P473-R475 PolarHBondContact O-N 3.37Å; P473-A476 WeakPolarHBondContact O-CB 3.11Å; P473-A476 PolarHBondContact O-N 3.41Å
474	S	86.4	Confident	92.3	Very high	62 Å²	62	52.8 Å²	52.8	43%	0.434	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-59.9	-20.2	-176	78.8	0	0	0	0	113.7	P211 D472	P211-S474 VanDerWaalsContact CG-O 3.31Å; P211-S474 WeakPolarHBondContact CG-O 3.38Å; D472-S474 PolarHBondContact O-N 2.94Å; D472-S474 WeakPolarHBondContact OD1-CB 3.42Å; D472-S474 PolarHBondContact OD1-N 2.97Å; D472-S474 PolarHBondContact OD1-OG 3.36Å; D472-S474 PolarHBondContact OD2-OG 3Å
475	R	85.9	Confident	92.4	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.008	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-105.8	14.7	-179.6	-60.3	-170.7	75.7	102.1	-7.7	114.7	D207 P473 G477 L478 L481	D207-R475 PolarHBondContact O-NH1 3.02Å; D207-R475 VanDerWaalsContact O-NH1 3.12Å; D207-R475 IonicContact OD1-CZ 3.74Å; D207-R475 IonicContact OD1-NH1 2.83Å; D207-R475 PolarHBondContact OD1-NH1 3.35Å; D207-R475 VanDerWaalsContact OD1-NH1 3.12Å; D207-R475 IonicContact OD1-NH2 2.92Å; D207-R475 PolarHBondContact OD1-NH2 2.77Å; D207-R475 IonicContact OD2-CZ 3.21Å; D207-R475 VanDerWaalsContact OD2-CZ 3.31Å; D207-R475 IonicContact OD2-NH1 3.77Å; D207-R475 PolarHBondContact OD2-NH1 3.15Å; D207-R475 IonicContact OD2-NH2 2.65Å; D207-R475 PolarHBondContact OD2-NH2 3.29Å; P473-R475 PolarHBondContact O-N 3.37Å; R475-G477 PolarHBondContact O-N 3.15Å; R475-L478 HydrophobicContact CB-CB 4.48Å; R475-L478 HydrophobicContact CB-CD1 4.33Å; R475-L478 WeakPolarHBondContact O-CB 3.19Å; R475-L478 PolarHBondContact O-N 2.82Å; R475-L481 HydrophobicContact CB-CD2 3.87Å
476	A	90.4	Very high	92.5	Very high	18 Å²	18	47.5 Å²	47.5	15%	0.149	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	128.1	177.2	0	0	0	0	0	111.5	F46 A50 P473	F46-A476 HydrophobicContact CE1-CB 4.48Å; A50-A476 HydrophobicContact CB-CB 3.56Å; P473-A476 WeakPolarHBondContact O-CB 3.11Å; P473-A476 PolarHBondContact O-N 3.41Å
477	G	89.8	Confident	92.7	Very high	13 Å²	13	45.3 Å²	45.3	13%	0.134	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	91.6	-14.6	-176.4	0	0	0	0	0	116	A352 M354 R475	A352-G477 WeakPolarHBondContact O-CA 3.48Å; A352-G477 PolarHBondContact O-N 3.36Å; M354-G477 PolarHBondContact N-O 3.41Å; R475-G477 PolarHBondContact O-N 3.15Å
478	L	90.7	Very high	93.1	Very high	37 Å²	37	44.7 Å²	44.7	19%	0.194	25%	0.245	C	C	.	.	S	Bend	trans	-96.3	-4.9	-170.2	-58.6	177.7	0	0	0	114.8	F210 P211 I214 R475	F210-L478 HydrophobicContact CD1-CD1 4.14Å; F210-L478 HydrophobicContact CD1-CD2 4.39Å; F210-L478 HydrophobicContact CE1-CD2 4.49Å; P211-L478 HydrophobicContact CB-CD1 4.04Å; P211-L478 HydrophobicContact CG-CD1 3.68Å; I214-L478 HydrophobicContact CB-CD2 4.37Å; I214-L478 HydrophobicContact CG1-CD2 4.04Å; I214-L478 HydrophobicContact CG2-CD2 4.25Å; R475-L478 HydrophobicContact CB-CB 4.48Å; R475-L478 HydrophobicContact CB-CD1 4.33Å; R475-L478 WeakPolarHBondContact O-CB 3.19Å; R475-L478 PolarHBondContact O-N 2.82Å
479	G	95.2	Very high	93.3	Very high	5 Å²	5	34.2 Å²	34.2	5%	0.052	21%	0.206	C	C	.	.	S	Bend	trans	136.1	-129	179.6	0	0	0	0	0	113.2	N283 A352 S353	N283-G479 VanDerWaalsContact OD1-CA 3.29Å; N283-G479 WeakPolarHBondContact OD1-CA 3.38Å; A352-G479 CarbonylContact C-O 3.55Å; A352-G479 PolarHBondContact N-O 3.37Å; S353-G479 PolarHBondContact N-O 2.87Å; S353-G479 VanDerWaalsContact OG-CA 3.31Å; S353-G479 WeakPolarHBondContact OG-CA 3.43Å
480	I	97.9	Very high	93.4	Very high	7 Å²	7	37.6 Å²	37.6	4%	0.036	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-82.3	128.6	176.2	-52.4	-52.8	0	0	0	109.1	N283 P286 A287 L347 S350 P429	N283-I480 HydrophobicContact CB-CG1 4.29Å; N283-I480 PolarHBondContact OD1-N 3.32Å; P286-I480 HydrophobicContact CB-CG2 3.98Å; P286-I480 HydrophobicContact CG-CB 4.11Å; P286-I480 HydrophobicContact CG-CG2 4.12Å; A287-I480 HydrophobicContact CB-CG1 4.33Å; A287-I480 HydrophobicContact CB-CG2 4.47Å; L347-I480 HydrophobicContact CD2-CD1 3.6Å; L347-I480 HydrophobicContact CD2-CG1 4.07Å; S350-I480 WeakPolarHBondContact OG-CG2 3.29Å; P429-I480 HydrophobicContact CB-CD1 4.36Å
481	L	97.1	Very high	93.5	Very high	7 Å²	7	37.1 Å²	37.1	4%	0.037	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-74.1	144.3	-179.6	-62.4	-176	0	0	0	111	W290 S350 A352 L471 D472 R475	W290-L481 PolarHBondContact NE1-O 2.85Å; S350-L481 PolarHBondContact O-N 3.4Å; A352-L481 HydrophobicContact CB-CD1 3.69Å; A352-L481 HydrophobicContact CB-CD2 3.71Å; A352-L481 HydrophobicContact CB-CG 3.64Å; L471-L481 HydrophobicContact CB-CB 4.11Å; L471-L481 HydrophobicContact CB-CD1 3.68Å; L471-L481 HydrophobicContact CD1-CD1 4.12Å; L471-L481 HydrophobicContact CD2-CB 4.15Å; L471-L481 HydrophobicContact CG-CD1 4.35Å; D472-L481 WeakPolarHBondContact O-CD2 3.49Å; R475-L481 HydrophobicContact CB-CD2 3.87Å
482	L	96.1	Very high	93.4	Very high	19 Å²	19	38.4 Å²	38.4	10%	0.099	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-71.1	156.1	173.1	-60	174.9	0	0	0	110.1	Y168 P286 D472	Y168-L482 HydrophobicContact CE2-CD2 4.49Å; Y168-L482 VanDerWaalsContact OH-CD2 3.27Å; Y168-L482 WeakPolarHBondContact OH-CD2 3.48Å; P286-L482 HydrophobicContact CB-CD2 3.99Å; P286-L482 HydrophobicContact CG-CD2 4.1Å; D472-L482 HydrophobicContact CB-CB 4.1Å; D472-L482 PolarHBondContact N-O 3.05Å
483	P	96.1	Very high	93.5	Very high	16 Å²	16	37.9 Å²	37.9	10%	0.104	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-63.4	138.5	163.9	26.5	-32.1	0	0	0	110.9	Y168 F289 W290 P469 G470 S485	Y168-P483 HydrophobicContact CD2-CG 3.52Å; Y168-P483 HydrophobicContact CE2-CG 3.93Å; Y168-P483 HydrophobicContact CG-CG 3.95Å; F289-P483 HydrophobicContact CD1-CB 4.23Å; F289-P483 HydrophobicContact CD1-CG 3.9Å; F289-P483 HydrophobicContact CE1-CB 3.5Å; F289-P483 HydrophobicContact CE1-CG 3.64Å; F289-P483 HydrophobicContact CG-CG 4.5Å; F289-P483 HydrophobicContact CZ-CB 3.81Å; F289-P483 HydrophobicContact CZ-CG 3.96Å; W290-P483 HydrophobicContact CH2-CB 4.28Å; W290-P483 HydrophobicContact CZ2-CB 4.01Å; P469-P483 HydrophobicContact CB-CB 4.05Å; G470-P483 CarbonylContact O-C 3.53Å; G470-P483 WeakPolarHBondContact O-CA 3.38Å; P483-S485 PolarHBondContact O-N 2.88Å
484	S	94.2	Very high	93.5	Very high	73 Å²	73	37.6 Å²	37.6	51%	0.51	20%	0.195	S	C	.	.	S	Bend	trans	-66.7	-20.3	175.6	67.1	0	0	0	0	113.1	G470	G470-S484 WeakPolarHBondContact CA-OG 3.41Å; G470-S484 PolarHBondContact N-OG 3.06Å; G470-S484 PolarHBondContact O-N 2.81Å; G470-S484 PolarHBondContact O-OG 3.29Å
485	S	92.8	Very high	93.3	Very high	53 Å²	53	40.7 Å²	40.7	37%	0.371	22%	0.217	S	C	.	.	S	Bend	trans	-155.4	146.6	178.2	57.5	0	0	0	0	109	P469 P483	P469-S485 WeakPolarHBondContact CB-O 3.41Å; P483-S485 PolarHBondContact O-N 2.88Å
486	D	89.3	Confident	92.7	Very high	73 Å²	73	45.9 Å²	45.9	39%	0.39	25%	0.248	S	C	.	.			trans	-68.2	158.7	175	-148.5	-27	0	0	0	112.6	S166 Y168	S166-D486 VanDerWaalsContact CB-CG 3.49Å; S166-D486 WeakPolarHBondContact CB-OD2 3.16Å; S166-D486 PolarHBondContact OG-OD1 3.24Å; S166-D486 PolarHBondContact OG-OD2 3.24Å; Y168-D486 WeakPolarHBondContact CB-OD1 3.45Å; Y168-D486 PolarHBondContact N-OD1 3.3Å; Y168-D486 VanDerWaalsContact N-OD1 3.14Å
487	V	96.1	Very high	92.9	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.006	25%	0.253	C	S	.	.			trans	-117.1	124.4	-178.3	-179.4	0	0	0	0	109.4	L167 F289 Y293 L462 P469	L167-V487 HydrophobicContact CB-CB 4.43Å; L167-V487 PolarHBondContact N-O 3.06Å; F289-V487 HydrophobicContact CE2-CB 4.48Å; F289-V487 HydrophobicContact CE2-CG2 4.31Å; F289-V487 HydrophobicContact CZ-CG2 3.99Å; Y293-V487 HydrophobicContact CD2-CB 4.42Å; Y293-V487 HydrophobicContact CD2-CG1 4.11Å; Y293-V487 HydrophobicContact CD2-CG2 3.97Å; Y293-V487 HydrophobicContact CE2-CG1 4.09Å; Y293-V487 HydrophobicContact CE2-CG2 3.97Å; L462-V487 HydrophobicContact CD2-CG1 3.86Å; P469-V487 HydrophobicContact CB-CG2 3.94Å; P469-V487 HydrophobicContact CG-CG2 3.55Å
488	R	97.3	Very high	93	Very high	131 Å²	131	49.1 Å²	49.1	49%	0.494	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	132.6	174.1	-67.7	-178.7	-69.8	159	-4.7	110.1	G165 E463 Q466	G165-R488 WeakPolarHBondContact O-CA 3.43Å; E463-R488 HydrophobicContact CB-CB 4.14Å; E463-R488 HydrophobicContact CG-CB 4.02Å; E463-R488 PolarHBondContact N-O 2.94Å; E463-R488 VanDerWaalsContact N-O 3.07Å; E463-R488 IonicContact OE2-CZ 3.25Å; E463-R488 IonicContact OE2-NE 2.77Å; E463-R488 IonicContact OE2-NH1 3.47Å; E463-R488 PolarHBondContact OE2-NH1 2.81Å; Q466-R488 PolarHBondContact NE2-O 3.11Å
489	F	96.8	Very high	93.1	Very high	1 Å²	1	49.8 Å²	49.8	0%	0.004	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	161.7	174.8	85	-57.5	0	0	0	110	R164 G165 S166 L167 F170 L460 Q461 L462 Y491	R164-F489 WeakPolarHBondContact CA-O 3.48Å; G165-F489 PolarHBondContact N-O 3.29Å; G165-F489 WeakPolarHBondContact O-CD1 3.29Å; G165-F489 PolarHBondContact O-N 3.02Å; S166-F489 WeakPolarHBondContact O-CE1 3.4Å; L167-F489 HydrophobicContact CB-CB 4.47Å; L167-F489 HydrophobicContact CB-CD1 3.8Å; L167-F489 HydrophobicContact CB-CE1 4.25Å; L167-F489 HydrophobicContact CB-CG 4.14Å; L167-F489 HydrophobicContact CD1-CD1 4.29Å; L167-F489 HydrophobicContact CD1-CD2 4.11Å; L167-F489 HydrophobicContact CD1-CE1 4.27Å; L167-F489 HydrophobicContact CD1-CE2 4.05Å; L167-F489 HydrophobicContact CD1-CG 4.22Å; L167-F489 HydrophobicContact CD1-CZ 4.14Å; F170-F489 HydrophobicContact CB-CE1 3.94Å; F170-F489 HydrophobicContact CB-CZ 3.93Å; F170-F489 HydrophobicContact CD1-CZ 4.2Å; F170-F489 AromaticContact CD2-CZ 3.97Å; F170-F489 HydrophobicContact CD2-CZ 3.97Å; F170-F489 HydrophobicContact CG-CE1 4.28Å; F170-F489 AromaticContact CG-CZ 3.76Å; F170-F489 HydrophobicContact CG-CZ 3.76Å; L460-F489 HydrophobicContact CD2-CD2 4.28Å; L460-F489 HydrophobicContact CD2-CE2 4Å; Q461-F489 CarbonylContact O-C 3.44Å; Q461-F489 WeakPolarHBondContact O-CA 3.37Å; Q461-F489 WeakPolarHBondContact O-CB 3.27Å; L462-F489 HydrophobicContact CD2-CB 4.1Å; F489-Y491 HydrophobicContact CD2-CD1 4.26Å; F489-Y491 HydrophobicContact CE1-CD1 4.04Å; F489-Y491 HydrophobicContact CE1-CE1 4.26Å; F489-Y491 AromaticContact CE2-CD1 3.5Å; F489-Y491 HydrophobicContact CE2-CD1 3.5Å; F489-Y491 VanDerWaalsContact CE2-CD1 3.5Å; F489-Y491 HydrophobicContact CE2-CE1 4.37Å; F489-Y491 AromaticContact CE2-CG 3.93Å; F489-Y491 HydrophobicContact CE2-CG 3.93Å; F489-Y491 AromaticContact CZ-CD1 3.36Å; F489-Y491 HydrophobicContact CZ-CD1 3.36Å; F489-Y491 AromaticContact CZ-CE1 3.79Å; F489-Y491 HydrophobicContact CZ-CE1 3.79Å; F489-Y491 HydrophobicContact CZ-CG 4.15Å
490	R	95.7	Very high	93	Very high	84 Å²	84	52.4 Å²	52.4	32%	0.317	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	147.1	168	61.8	175.1	-178.9	-164.2	-5.5	110.4	W162 R163 R164 Q461	W162-R490 HydrophobicContact CD2-CG 4.18Å; W162-R490 HydrophobicContact CE3-CB 3.73Å; W162-R490 HydrophobicContact CE3-CG 3.49Å; W162-R490 VanDerWaalsContact CE3-CG 3.49Å; W162-R490 HydrophobicContact CZ3-CB 4.27Å; W162-R490 HydrophobicContact CZ3-CG 3.73Å; W162-R490 WeakPolarHBondContact CZ3-O 3.49Å; R163-R490 CarbonylContact O-C 3.5Å; R163-R490 WeakPolarHBondContact O-CA 3.24Å; R163-R490 VanDerWaalsContact O-CB 3.28Å; R163-R490 WeakPolarHBondContact O-CB 3.47Å; R164-R490 HydrophobicContact CG-CB 4.24Å; Q461-R490 HydrophobicContact CB-CG 3.94Å; Q461-R490 PolarHBondContact N-O 3.08Å; Q461-R490 PolarHBondContact O-N 2.85Å
491	Y	95.8	Very high	92.7	Very high	22 Å²	22	55.3 Å²	55.3	9%	0.086	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	148.9	178.6	65.3	-80.9	0	0	0	111.1	H155 R163 F170 F458 D459 F489	H155-Y491 PolarHBondContact ND1-OH 3.13Å; R163-Y491 HydrophobicContact CB-CD1 4.39Å; R163-Y491 HydrophobicContact CB-CE1 3.99Å; R163-Y491 HydrophobicContact CB-CE2 4.21Å; R163-Y491 PolarHBondContact N-O 2.69Å; R163-Y491 PolarHBondContact O-N 2.96Å; F170-Y491 HydrophobicContact CD2-CE1 4.33Å; F170-Y491 HydrophobicContact CE2-CE1 4.45Å; F170-Y491 HydrophobicContact CE2-CE2 4.24Å; F458-Y491 AromaticContact CD1-CD2 3.74Å; F458-Y491 HydrophobicContact CD1-CD2 3.74Å; F458-Y491 AromaticContact CE1-CD2 3.8Å; F458-Y491 HydrophobicContact CE1-CD2 3.8Å; F458-Y491 HydrophobicContact CE1-CE2 4.19Å; F458-Y491 HydrophobicContact CG-CD2 4.28Å; F458-Y491 HydrophobicContact CZ-CD2 4.37Å; D459-Y491 WeakPolarHBondContact O-CA 3.36Å; F489-Y491 HydrophobicContact CD2-CD1 4.26Å; F489-Y491 HydrophobicContact CE1-CD1 4.04Å; F489-Y491 HydrophobicContact CE1-CE1 4.26Å; F489-Y491 AromaticContact CE2-CD1 3.5Å; F489-Y491 HydrophobicContact CE2-CD1 3.5Å; F489-Y491 VanDerWaalsContact CE2-CD1 3.5Å; F489-Y491 HydrophobicContact CE2-CE1 4.37Å; F489-Y491 AromaticContact CE2-CG 3.93Å; F489-Y491 HydrophobicContact CE2-CG 3.93Å; F489-Y491 AromaticContact CZ-CD1 3.36Å; F489-Y491 HydrophobicContact CZ-CD1 3.36Å; F489-Y491 AromaticContact CZ-CE1 3.79Å; F489-Y491 HydrophobicContact CZ-CE1 3.79Å; F489-Y491 HydrophobicContact CZ-CG 4.15Å
492	R	94.9	Very high	92.4	Very high	89 Å²	89	58.5 Å²	58.5	34%	0.336	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	156.2	170.8	64.9	172	-176.9	-170.6	2.7	110.2	G160 D161 W162 F458 D459 R494	G160-R492 WeakPolarHBondContact O-CD 3.46Å; D161-R492 WeakPolarHBondContact O-CB 3.36Å; W162-R492 HydrophobicContact CD2-CB 4.19Å; W162-R492 HydrophobicContact CD2-CG 3.93Å; W162-R492 HydrophobicContact CE3-CB 4.18Å; W162-R492 HydrophobicContact CE3-CG 4.03Å; W162-R492 HydrophobicContact CG-CB 4.48Å; W162-R492 HydrophobicContact CH2-CG 4.23Å; W162-R492 HydrophobicContact CZ2-CG 4.11Å; W162-R492 HydrophobicContact CZ3-CG 4.18Å; F458-R492 CarbonylContact C-O 3.59Å; F458-R492 VanDerWaalsContact CA-O 3.24Å; F458-R492 WeakPolarHBondContact CA-O 3.48Å; F458-R492 WeakPolarHBondContact CD1-O 3.45Å; D459-R492 HydrophobicContact CB-CG 3.85Å; D459-R492 PolarHBondContact N-O 3.39Å; D459-R492 PolarHBondContact O-N 3.09Å; D459-R492 VanDerWaalsContact O-N 3.15Å; D459-R492 IonicContact OD2-CZ 3.71Å; D459-R492 IonicContact OD2-NE 3.47Å; D459-R492 PolarHBondContact OD2-NE 2.82Å; D459-R492 IonicContact OD2-NH2 3.28Å; D459-R492 PolarHBondContact OD2-NH2 3.22Å; R492-R494 PolarHBondContact O-N 3.33Å
493	L	94.3	Very high	92.2	Very high	31 Å²	31	61.3 Å²	61.3	16%	0.162	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	137	173.3	-69.4	175.1	0	0	0	110.7	L156 G158 Y457 F458	L156-L493 HydrophobicContact CD2-CD2 3.43Å; L156-L493 VanDerWaalsContact CD2-CD2 3.43Å; G158-L493 WeakPolarHBondContact O-CD1 3.37Å; Y457-L493 WeakPolarHBondContact O-CA 3.22Å; F458-L493 HydrophobicContact CD1-CD2 4.11Å; F458-L493 HydrophobicContact CE1-CD2 3.6Å; F458-L493 HydrophobicContact CE1-CG 4.3Å; F458-L493 HydrophobicContact CZ-CD2 4.3Å
494	R	91.5	Very high	91.9	Very high	46 Å²	46	64.8 Å²	64.8	17%	0.174	34%	0.339	C	S	.	.			trans	-72.3	147.5	175	-69.2	179.8	59.1	-139.2	-1.9	110.5	T322 L455 L456 Y457 F458 D459 R492 V496	T322-R494 HydrophobicContact CG2-CB 4.31Å; L455-R494 PolarHBondContact O-NH1 3.15Å; L456-R494 WeakPolarHBondContact O-CD 3.31Å; L456-R494 PolarHBondContact O-NH1 3.37Å; Y457-R494 PolarHBondContact O-N 3.25Å; F458-R494 WeakPolarHBondContact O-CD 3.03Å; D459-R494 VanDerWaalsContact N-CG 3.29Å; R492-R494 PolarHBondContact O-N 3.33Å; R494-V496 HydrophobicContact CB-CG2 3.57Å
495	S	82.6	Confident	91.7	Very high	127 Å²	127	64.1 Å²	64.1	89%	0.888	33%	0.325	S	S	*	.			trans	-91.1	101.8	160.7	-51.9	0	0	0	0	106.4
496	V	73.3	Confident	91.6	Very high	111 Å²	111	65.1 Å²	65.1	67%	0.673	32%	0.321	S	S	*	.			trans	-109	0	-179.1	-171.9	0	0	0	0	109.4	F320 T322 R494	F320-V496 HydrophobicContact CD1-CG1 4.18Å; F320-V496 HydrophobicContact CE1-CG1 4.46Å; F320-V496 HydrophobicContact CE1-CG2 4.19Å; T322-V496 HydrophobicContact CG2-CB 4.34Å; T322-V496 HydrophobicContact CG2-CG2 3.77Å; R494-V496 HydrophobicContact CB-CG2 3.57Å

Retrieved 496 of 496 residues in 368.7 ms (Link to these results)

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