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Isoform c of cAMP-dependent protein kinase catalytic subunit AlphaSync

Canonical isoform description: Essential for larval development¹. Controls the rhythmic contraction of enteric muscles probably by regulating G-protein coupled receptor aex-2-mediated calcium influx in GABAergic DVB neurons². Plays a role in the control of oocyte meiotic maturation by gonadal sheath cells³. Isoforms a and b: May play a role in the regulation of neuromuscular junctions.

AlphaFold DB , UniProt , Accession P21137-4 (canonical: P21137), Species CAEEL (Caenorhabditis elegans), Gene kin-1, Length 548 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.3	Very low	49.4	Very low	186 Å²	186	129.7 Å²	129.7	92%	0.916	58%	0.576	S	S	*	*				0	-95.4	0	-100.4	-174.3	-78.1	0	0	111.9	E3 E4 E5	M1-E3 VanDerWaalsContact C-N 3.33Å; M1-E3 PolarHBondContact O-N 3.39Å; M1-E3 VanDerWaalsContact O-N 3.14Å; M1-E4 PolarHBondContact N-OE2 2.84Å; M1-E4 WeakPolarHBondContact O-CB 3.23Å; M1-E4 PolarHBondContact O-N 3.13Å; M1-E5 PolarHBondContact O-N 3.5Å
2	E	42.8	Very low	49.8	Very low	156 Å²	156	122.4 Å²	122.4	73%	0.729	56%	0.557	S	S	*	*	H	α-helix	trans	-51.5	-45.4	-170.7	-70.2	-169.9	128.7	0	0	113.9	E4 E5 W6	E2-E4 VanDerWaalsContact C-N 3.33Å; E2-E4 PolarHBondContact O-N 3.13Å; E2-E5 PolarHBondContact O-N 2.85Å; E2-W6 VanDerWaalsContact O-CD1 3.29Å; E2-W6 PolarHBondContact O-N 3.35Å
3	E	39.9	Very low	49.5	Very low	124 Å²	124	116 Å²	116	58%	0.579	54%	0.539	S	S	*	.	H	α-helix	trans	-64.6	-35.5	179.9	-159.7	-165.2	139.1	0	0	112.9	M1 W6 R7	M1-E3 VanDerWaalsContact C-N 3.33Å; M1-E3 PolarHBondContact O-N 3.39Å; M1-E3 VanDerWaalsContact O-N 3.14Å; E3-W6 PolarHBondContact O-N 2.78Å; E3-R7 WeakPolarHBondContact O-CB 3.33Å; E3-R7 VanDerWaalsContact O-CG 3.27Å; E3-R7 WeakPolarHBondContact O-CG 3.48Å; E3-R7 PolarHBondContact O-N 3.23Å; E3-R7 IonicContact OE1-CZ 2.64Å; E3-R7 VanDerWaalsContact OE1-CZ 3.26Å; E3-R7 IonicContact OE1-NE 2.78Å; E3-R7 PolarHBondContact OE1-NE 2.8Å; E3-R7 VanDerWaalsContact OE1-NE 3.07Å; E3-R7 IonicContact OE1-NH2 2.62Å; E3-R7 PolarHBondContact OE1-NH2 3.44Å
4	E	54.4	Low	49.4	Very low	113 Å²	113	113.1 Å²	113.1	53%	0.528	53%	0.528	S	S	.	.	H	α-helix	trans	-73.4	-36.4	177	-64.3	163.9	101.3	0	0	111.5	M1 E2 R7 R8	M1-E4 PolarHBondContact N-OE2 2.84Å; M1-E4 WeakPolarHBondContact O-CB 3.23Å; M1-E4 PolarHBondContact O-N 3.13Å; E2-E4 VanDerWaalsContact C-N 3.33Å; E2-E4 PolarHBondContact O-N 3.13Å; E4-R7 PolarHBondContact O-N 2.99Å; E4-R8 WeakPolarHBondContact O-CG 3.42Å; E4-R8 PolarHBondContact O-N 2.69Å
5	E	51.7	Low	49.3	Very low	104 Å²	104	116.2 Å²	116.2	49%	0.486	53%	0.533	S	S	.	.	H	α-helix	trans	-64.1	-42.5	172.5	-165.1	-174.3	144.1	0	0	110.7	M1 E2 R8 R9	M1-E5 PolarHBondContact O-N 3.5Å; E2-E5 PolarHBondContact O-N 2.85Å; E5-R8 WeakPolarHBondContact O-CB 3.46Å; E5-R8 PolarHBondContact O-N 3.22Å; E5-R9 WeakPolarHBondContact O-CG 3.45Å; E5-R9 PolarHBondContact O-N 2.8Å
6	W	45	Very low	49.4	Very low	128 Å²	128	116.9 Å²	116.9	49%	0.485	53%	0.529	S	S	.	.	H	α-helix	trans	-64.7	-38	172.2	-87.2	101.2	0	0	0	113.2	E2 E3 R9 L10	E2-W6 VanDerWaalsContact O-CD1 3.29Å; E2-W6 PolarHBondContact O-N 3.35Å; E3-W6 PolarHBondContact O-N 2.78Å; W6-R9 PolarHBondContact O-N 2.99Å; W6-L10 WeakPolarHBondContact O-CB 3.22Å; W6-L10 PolarHBondContact O-N 3.2Å
7	R	52.2	Low	49.1	Very low	162 Å²	162	114.2 Å²	114.2	61%	0.611	52%	0.518	S	S	*	.	H	α-helix	trans	-63.2	-40.4	171.3	-73.6	172.6	-173.7	-148.9	7	111.6	E3 E4 S11	E3-R7 WeakPolarHBondContact O-CB 3.33Å; E3-R7 VanDerWaalsContact O-CG 3.27Å; E3-R7 WeakPolarHBondContact O-CG 3.48Å; E3-R7 PolarHBondContact O-N 3.23Å; E3-R7 IonicContact OE1-CZ 2.64Å; E3-R7 VanDerWaalsContact OE1-CZ 3.26Å; E3-R7 IonicContact OE1-NE 2.78Å; E3-R7 PolarHBondContact OE1-NE 2.8Å; E3-R7 VanDerWaalsContact OE1-NE 3.07Å; E3-R7 IonicContact OE1-NH2 2.62Å; E3-R7 PolarHBondContact OE1-NH2 3.44Å; E4-R7 PolarHBondContact O-N 2.99Å; R7-S11 WeakPolarHBondContact O-CB 3.44Å; R7-S11 PolarHBondContact O-N 2.94Å
8	R	61.3	Low	48.6	Very low	180 Å²	180	113.5 Å²	113.5	68%	0.679	52%	0.519	S	S	*	.	H	α-helix	trans	-62.6	-48.5	171.9	-74	-177	-172.2	132.6	3.4	111.6	E4 E5 L10 S11 A12	E4-R8 WeakPolarHBondContact O-CG 3.42Å; E4-R8 PolarHBondContact O-N 2.69Å; E5-R8 WeakPolarHBondContact O-CB 3.46Å; E5-R8 PolarHBondContact O-N 3.22Å; R8-L10 PolarHBondContact O-N 3.33Å; R8-S11 PolarHBondContact O-N 3.32Å; R8-A12 WeakPolarHBondContact O-CB 3.42Å; R8-A12 PolarHBondContact O-N 3.29Å
9	R	52.6	Low	48.4	Very low	150 Å²	150	114.8 Å²	114.8	57%	0.566	53%	0.526	S	S	*	.	H	α-helix	trans	-59.6	-43.4	178.5	-71.9	178.4	74.7	135.3	2.3	111.8	E5 W6 A12 A13	E5-R9 WeakPolarHBondContact O-CG 3.45Å; E5-R9 PolarHBondContact O-N 2.8Å; W6-R9 PolarHBondContact O-N 2.99Å; R9-A12 PolarHBondContact O-N 3.37Å; R9-A13 WeakPolarHBondContact O-CB 3.49Å; R9-A13 PolarHBondContact O-N 2.94Å
10	L	46	Very low	47.6	Very low	64 Å²	64	110.6 Å²	110.6	34%	0.335	52%	0.516	S	S	.	.	H	α-helix	trans	-64.4	-45.2	175.2	-177.4	62.4	0	0	0	111.9	W6 R8 A12 A13 I14 V313 V318	W6-L10 WeakPolarHBondContact O-CB 3.22Å; W6-L10 PolarHBondContact O-N 3.2Å; R8-L10 PolarHBondContact O-N 3.33Å; L10-A12 VanDerWaalsContact C-N 3.3Å; L10-A12 PolarHBondContact O-N 3.21Å; L10-A13 PolarHBondContact O-N 3.2Å; L10-I14 HydrophobicContact CD1-CD1 4.49Å; L10-I14 HydrophobicContact CG-CD1 4.25Å; L10-I14 WeakPolarHBondContact O-CG1 3.47Å; L10-I14 PolarHBondContact O-N 2.66Å; L10-V313 HydrophobicContact CD2-CG2 4.25Å; L10-V318 HydrophobicContact CD1-CG1 4.04Å
11	S	54.8	Low	46.9	Very low	60 Å²	60	108.4 Å²	108.4	42%	0.42	51%	0.513	S	S	.	.	H	α-helix	trans	-68.8	-28	178	-166.2	0	0	0	0	113.2	R7 R8 R15	R7-S11 WeakPolarHBondContact O-CB 3.44Å; R7-S11 PolarHBondContact O-N 2.94Å; R8-S11 PolarHBondContact O-N 3.32Å; S11-R15 WeakPolarHBondContact O-CG 3.41Å; S11-R15 PolarHBondContact O-N 3.15Å; S11-R15 VanDerWaalsContact O-N 3.08Å
12	A	54.9	Low	46.6	Very low	42 Å²	42	106.3 Å²	106.3	35%	0.347	51%	0.505	S	S	.	.	H	α-helix	trans	-82.5	-26.3	175.4	0	0	0	0	0	112.8	R8 R9 L10 R16	R8-A12 WeakPolarHBondContact O-CB 3.42Å; R8-A12 PolarHBondContact O-N 3.29Å; R9-A12 PolarHBondContact O-N 3.37Å; L10-A12 VanDerWaalsContact C-N 3.3Å; L10-A12 PolarHBondContact O-N 3.21Å; A12-R16 WeakPolarHBondContact O-CB 3.45Å; A12-R16 WeakPolarHBondContact O-CG 3.36Å; A12-R16 PolarHBondContact O-N 3.3Å
13	A	46.1	Very low	46.2	Very low	39 Å²	39	106.4 Å²	106.4	32%	0.322	51%	0.505	S	S	.	.	H	α-helix	trans	-67.1	-47.9	167	0	0	0	0	0	110.3	R9 L10 R15 R16 E17	R9-A13 WeakPolarHBondContact O-CB 3.49Å; R9-A13 PolarHBondContact O-N 2.94Å; L10-A13 PolarHBondContact O-N 3.2Å; A13-R15 VanDerWaalsContact C-N 3.35Å; A13-R15 PolarHBondContact O-N 3.07Å; A13-R16 PolarHBondContact O-N 3.2Å; A13-E17 PolarHBondContact O-N 2.65Å
14	I	47.5	Very low	46	Very low	75 Å²	75	107.3 Å²	107.3	39%	0.385	51%	0.509	S	S	.	.	H	α-helix	trans	-57	-47	174.9	-67.4	164.1	0	0	0	110.9	L10 R16 E17 D18	L10-I14 HydrophobicContact CD1-CD1 4.49Å; L10-I14 HydrophobicContact CG-CD1 4.25Å; L10-I14 WeakPolarHBondContact O-CG1 3.47Å; L10-I14 PolarHBondContact O-N 2.66Å; I14-R16 PolarHBondContact O-N 3.45Å; I14-E17 PolarHBondContact O-N 3.2Å; I14-D18 PolarHBondContact O-N 3.15Å
15	R	48.5	Very low	45.1	Very low	160 Å²	160	108.6 Å²	108.6	60%	0.604	52%	0.52	S	S	*	.	H	α-helix	trans	-62.7	-41.2	176.3	-77.9	-179.4	179.1	173.9	-2.4	113.7	S11 A13 E17 D18 E19	S11-R15 WeakPolarHBondContact O-CG 3.41Å; S11-R15 PolarHBondContact O-N 3.15Å; S11-R15 VanDerWaalsContact O-N 3.08Å; A13-R15 VanDerWaalsContact C-N 3.35Å; A13-R15 PolarHBondContact O-N 3.07Å; R15-E17 VanDerWaalsContact C-N 3.32Å; R15-E17 PolarHBondContact O-N 3.25Å; R15-D18 PolarHBondContact O-N 3.42Å; R15-E19 VanDerWaalsContact O-CB 3.29Å; R15-E19 WeakPolarHBondContact O-CB 3.11Å; R15-E19 VanDerWaalsContact O-CG 3.25Å; R15-E19 WeakPolarHBondContact O-CG 3.17Å; R15-E19 PolarHBondContact O-N 3.16Å
16	R	49.7	Very low	44.1	Very low	127 Å²	127	112.6 Å²	112.6	48%	0.479	54%	0.538	S	S	.	.	H	α-helix	trans	-65.7	-33.2	174.8	-79	-171.6	-76.5	164	-3.6	112.8	A12 A13 I14 G20 S21	A12-R16 WeakPolarHBondContact O-CB 3.45Å; A12-R16 WeakPolarHBondContact O-CG 3.36Å; A12-R16 PolarHBondContact O-N 3.3Å; A13-R16 PolarHBondContact O-N 3.2Å; I14-R16 PolarHBondContact O-N 3.45Å; R16-G20 PolarHBondContact O-N 3.07Å; R16-S21 PolarHBondContact O-N 3.48Å
17	E	44.4	Very low	43.6	Very low	71 Å²	71	115.1 Å²	115.1	33%	0.332	56%	0.555	S	S	.	*	H	α-helix	trans	-66.3	-43	171.2	-73.5	-170.8	139	0	0	112.2	A13 I14 R15 G20 F267	A13-E17 PolarHBondContact O-N 2.65Å; I14-E17 PolarHBondContact O-N 3.2Å; R15-E17 VanDerWaalsContact C-N 3.32Å; R15-E17 PolarHBondContact O-N 3.25Å; E17-G20 PolarHBondContact O-N 3.17Å; E17-F267 HydrophobicContact CB-CE1 4.1Å; E17-F267 HydrophobicContact CB-CZ 3.79Å; E17-F267 HydrophobicContact CG-CE1 4.42Å; E17-F267 HydrophobicContact CG-CZ 4.1Å
18	D	41.5	Very low	42.8	Very low	102 Å²	102	111.7 Å²	111.7	55%	0.545	55%	0.549	S	S	.	.	H	α-helix	trans	-64	-50.1	175.7	-68.2	-37.3	0	0	0	111.2	I14 R15 G20 K264	I14-D18 PolarHBondContact O-N 3.15Å; R15-D18 PolarHBondContact O-N 3.42Å; D18-G20 VanDerWaalsContact C-N 3.3Å; D18-G20 PolarHBondContact O-N 3.07Å; D18-K264 PolarHBondContact O-NZ 2.93Å
19	E	44.4	Very low	41.2	Very low	138 Å²	138	112.1 Å²	112.1	65%	0.645	56%	0.559	S	S	*	*	H	α-helix	trans	-63.1	-33.8	177.9	-71.2	162.2	-163.6	0	0	111.6	R15 K264	R15-E19 VanDerWaalsContact O-CB 3.29Å; R15-E19 WeakPolarHBondContact O-CB 3.11Å; R15-E19 VanDerWaalsContact O-CG 3.25Å; R15-E19 WeakPolarHBondContact O-CG 3.17Å; R15-E19 PolarHBondContact O-N 3.16Å; E19-K264 PolarHBondContact O-NZ 3.39Å
20	G	32.8	Very low	40	Very low	31 Å²	31	107.2 Å²	107.2	32%	0.32	56%	0.555	S	S	.	*	T	Hydrogen-bonded Turn	trans	89.2	21.7	172.6	0	0	0	0	0	115.5	R16 E17 D18 L22	R16-G20 PolarHBondContact O-N 3.07Å; E17-G20 PolarHBondContact O-N 3.17Å; D18-G20 VanDerWaalsContact C-N 3.3Å; D18-G20 PolarHBondContact O-N 3.07Å; G20-L22 PolarHBondContact O-N 2.89Å; G20-L22 VanDerWaalsContact O-N 3.13Å
21	S	32.5	Very low	39	Very low	65 Å²	65	112.8 Å²	112.8	46%	0.455	58%	0.577	S	S	.	*			trans	-74.8	95	174.5	38	0	0	0	0	111.1	R16 E23	R16-S21 PolarHBondContact O-N 3.48Å; S21-E23 PolarHBondContact O-N 3.01Å
22	L	34.9	Very low	37.7	Very low	142 Å²	142	115.7 Å²	115.7	74%	0.743	59%	0.587	S	S	*	*			trans	-89.6	84	171.8	-72.8	173.1	0	0	0	110.8	G20	G20-L22 PolarHBondContact O-N 2.89Å; G20-L22 VanDerWaalsContact O-N 3.13Å
23	E	35.4	Very low	36.4	Very low	157 Å²	157	117.6 Å²	117.6	73%	0.734	59%	0.591	S	S	*	*			trans	-83.4	130.6	159.3	-64.7	-177.1	136.9	0	0	108.3	S21 D25	S21-E23 PolarHBondContact O-N 3.01Å; E23-D25 PolarHBondContact O-N 2.95Å
24	E	34.6	Very low	35.7	Very low	144 Å²	144	117.1 Å²	117.1	67%	0.673	58%	0.582	S	S	*	*			trans	-79.8	92.3	175.4	-69.4	-162.3	145.3	0	0	108.9	E26 K425	E24-E26 PolarHBondContact O-N 3.37Å; E24-K425 IonicContact OE1-NZ 2.68Å; E24-K425 PolarHBondContact OE1-NZ 3.27Å; E24-K425 IonicContact OE2-NZ 2.72Å; E24-K425 PolarHBondContact OE2-NZ 2.87Å
25	D	35.8	Very low	34.7	Very low	140 Å²	140	118.2 Å²	118.2	75%	0.749	59%	0.593	S	S	*	*			trans	-60.8	89.3	177.7	-78.7	-34.4	0	0	0	112.1	E23 E27	E23-D25 PolarHBondContact O-N 2.95Å; D25-E27 VanDerWaalsContact C-N 3.26Å; D25-E27 PolarHBondContact O-N 3.07Å; D25-E27 VanDerWaalsContact O-N 3.09Å
26	E	31.7	Very low	34	Very low	188 Å²	188	112.4 Å²	112.4	88%	0.879	57%	0.574	S	S	*	*			trans	-78.6	52.6	173.4	-72.8	-153.9	128.3	0	0	113.4	E24	E24-E26 PolarHBondContact O-N 3.37Å
27	E	34.1	Very low	33	Very low	180 Å²	180	110 Å²	110	84%	0.841	58%	0.576	S	S	*	*			trans	-147.9	108.2	172	-115.7	168	-135.4	0	0	113.2	D25	D25-E27 VanDerWaalsContact C-N 3.26Å; D25-E27 PolarHBondContact O-N 3.07Å; D25-E27 VanDerWaalsContact O-N 3.09Å
28	D	35.7	Very low	32.3	Very low	90 Å²	90	114 Å²	114	48%	0.481	59%	0.588	S	S	.	*			trans	-130.5	37	-178.5	-153	3.4	0	0	0	110.3	G30 K422	D28-G30 PolarHBondContact O-N 3.28Å; D28-K422 IonicContact OD2-NZ 3.77Å; D28-K422 PolarHBondContact OD2-NZ 3.25Å
29	E	26.7	Very low	31.9	Very low	189 Å²	189	112 Å²	112	88%	0.883	58%	0.579	S	S	*	*			trans	-73.1	68.3	176.8	-85.6	-72.1	158.6	0	0	111.2
30	G	27.4	Very low	31.2	Very low	47 Å²	47	107.8 Å²	107.8	49%	0.485	57%	0.573	S	S	.	*			trans	-149.2	104.9	-175.1	0	0	0	0	0	115	D28 I32	D28-G30 PolarHBondContact O-N 3.28Å; G30-I32 PolarHBondContact O-N 3.22Å
31	F	25.8	Very low	30.9	Very low	181 Å²	181	108.5 Å²	108.5	79%	0.794	57%	0.572	S	S	*	*			trans	-71.7	86.3	170.2	-86.5	-92.2	0	0	0	111.9
32	I	26.8	Very low	30.8	Very low	122 Å²	122	108.2 Å²	108.2	63%	0.626	57%	0.566	S	S	*	*			trans	-98.7	106.2	171.4	-57.7	-178.1	0	0	0	110.2	G30 H34	G30-I32 PolarHBondContact O-N 3.22Å; I32-H34 PolarHBondContact O-N 3.08Å
33	L	28	Very low	30.4	Very low	82 Å²	82	108 Å²	108	43%	0.429	56%	0.561	S	S	.	*	B	Isolated β-bridge	trans	-67.6	109.8	168.8	-92.1	156.2	0	0	0	110.2	P35 H135 I136 L431	L33-P35 WeakPolarHBondContact O-CD 3.42Å; L33-H135 HydrophobicContact CD1-CB 3.69Å; L33-I136 HydrophobicContact CD2-CG1 3.73Å; L33-L431 HydrophobicContact CD2-CD2 3.87Å
34	H	32.2	Very low	30	Very low	29 Å²	29	102.7 Å²	102.7	13%	0.134	54%	0.536	C	S	.	.			trans	-84	124.8	-167.5	-147.2	-100.9	0	0	0	113.4	I32 L36 Q317 L431	I32-H34 PolarHBondContact O-N 3.08Å; H34-L36 VanDerWaalsContact CE1-CD1 3.49Å; H34-L36 WeakPolarHBondContact CE1-CD1 3.24Å; H34-L36 PolarHBondContact O-N 2.84Å; H34-Q317 PolarHBondContact CE1-NE2 3.4Å; H34-Q317 PolarHBondContact CE1-OE1 3.29Å; H34-Q317 VanDerWaalsContact CE1-OE1 3.22Å; H34-Q317 PolarHBondContact NE2-NE2 2.95Å; H34-L431 WeakPolarHBondContact CB-O 3.19Å
35	P	26	Very low	29.6	Very low	97 Å²	97	99.6 Å²	99.6	63%	0.63	53%	0.527	S	S	*	.			trans	-70.5	11.1	-176.5	-22.4	35.1	0	0	0	117.1	L33 C37	L33-P35 WeakPolarHBondContact O-CD 3.42Å; P35-C37 PolarHBondContact O-N 3.25Å
36	L	32.9	Very low	29.2	Very low	38 Å²	38	98.6 Å²	98.6	20%	0.199	53%	0.526	C	S	.	.			trans	-93.8	57.8	-172.5	-69.4	-175.4	0	0	0	114	H34 R38 F420	H34-L36 VanDerWaalsContact CE1-CD1 3.49Å; H34-L36 WeakPolarHBondContact CE1-CD1 3.24Å; H34-L36 PolarHBondContact O-N 2.84Å; L36-R38 VanDerWaalsContact C-N 3.29Å; L36-R38 HydrophobicContact CD2-CB 4.49Å; L36-F420 HydrophobicContact CB-CE1 4.27Å; L36-F420 HydrophobicContact CB-CZ 3.68Å; L36-F420 HydrophobicContact CD1-CE1 3.81Å; L36-F420 HydrophobicContact CD1-CE2 4.48Å; L36-F420 HydrophobicContact CD1-CZ 3.58Å; L36-F420 HydrophobicContact CG-CZ 4.29Å
37	C	30	Very low	28.9	Very low	77 Å²	77	98.3 Å²	98.3	52%	0.52	52%	0.522	S	S	.	.			trans	-98.5	57.9	145.5	-70.1	0	0	0	0	108.2	P35	P35-C37 PolarHBondContact O-N 3.25Å
38	R	30.2	Very low	28.5	Very low	155 Å²	155	93.9 Å²	93.9	59%	0.585	52%	0.516	S	S	*	.			trans	-135.5	-9.6	-169.7	-76.5	-164.6	174.1	-133.5	0.7	116.3	L36 G40 K139	L36-R38 VanDerWaalsContact C-N 3.29Å; L36-R38 HydrophobicContact CD2-CB 4.49Å; R38-G40 PolarHBondContact O-N 3.42Å; R38-K139 HydrophobicContact CG-CD 4.05Å
39	T	33.2	Very low	28.1	Very low	59 Å²	59	94.8 Å²	94.8	36%	0.362	53%	0.53	S	S	.	.			trans	-79.7	101.1	160	34	0	0	0	0	108.6
40	G	28	Very low	28.1	Very low	50 Å²	50	93 Å²	93	52%	0.515	53%	0.526	S	S	.	.			trans	-75.7	167.7	151.4	0	0	0	0	0	109.4	R38 L42	R38-G40 PolarHBondContact O-N 3.42Å; G40-L42 PolarHBondContact O-N 3.36Å
41	P	28.1	Very low	28.2	Very low	47 Å²	47	96.1 Å²	96.1	31%	0.305	54%	0.541	S	S	.	.			trans	-53.2	137.4	-179	20	-32.7	0	0	0	112.1	Q43 E360 F362 E403	P41-Q43 PolarHBondContact O-N 3.24Å; P41-E360 WeakPolarHBondContact CA-OE1 3.39Å; P41-F362 HydrophobicContact CB-CD1 3.97Å; P41-F362 HydrophobicContact CB-CE1 4.15Å; P41-F362 HydrophobicContact CB-CG 4.47Å; P41-F362 HydrophobicContact CG-CD1 4.23Å; P41-F362 HydrophobicContact CG-CE1 3.89Å; P41-F362 HydrophobicContact CG-CZ 4.33Å; P41-E403 HydrophobicContact CB-CG 3.85Å
42	L	28.8	Very low	28.3	Very low	59 Å²	59	92.9 Å²	92.9	31%	0.309	54%	0.536	S	S	.	.			trans	-72.7	77.1	171.3	-67.6	171	0	0	0	108.3	G40 M44 E360	G40-L42 PolarHBondContact O-N 3.36Å; L42-M44 VanDerWaalsContact C-N 3.29Å; L42-M44 PolarHBondContact O-N 3.41Å; L42-E360 WeakPolarHBondContact CA-OE1 3.29Å; L42-E360 PolarHBondContact N-OE1 3.18Å; L42-E360 VanDerWaalsContact O-CD 3.32Å
43	Q	26.3	Very low	28.5	Very low	138 Å²	138	93.8 Å²	93.8	65%	0.645	55%	0.547	S	S	*	.			trans	-57.8	87.9	178.8	-77	-163.5	-22.4	0	0	111.9	P41 T45	P41-Q43 PolarHBondContact O-N 3.24Å; Q43-T45 PolarHBondContact O-N 3.01Å
44	M	28.4	Very low	28.5	Very low	44 Å²	44	94.9 Å²	94.9	22%	0.217	56%	0.558	C	S	.	*			trans	-73.6	62	173.6	-76.8	-176.3	56	0	0	110.3	L42 V46 L282 F355	L42-M44 VanDerWaalsContact C-N 3.29Å; L42-M44 PolarHBondContact O-N 3.41Å; M44-V46 PolarHBondContact O-N 3.44Å; M44-L282 HydrophobicContact CE-CD2 4.4Å; M44-F355 HydrophobicContact CE-CE2 3.87Å; M44-F355 HydrophobicContact CE-CZ 4.29Å
45	T	26	Very low	28.4	Very low	79 Å²	79	101.1 Å²	101.1	49%	0.485	59%	0.591	S	S	.	*			trans	-71.6	100	177.9	-41.9	0	0	0	0	109.9	Q43 K47 K280	Q43-T45 PolarHBondContact O-N 3.01Å; T45-K47 VanDerWaalsContact C-N 3.33Å; T45-K47 HydrophobicContact CG2-CG 4.22Å; T45-K47 PolarHBondContact O-N 2.7Å; T45-K47 VanDerWaalsContact O-N 3.1Å; T45-K280 PolarHBondContact O-NZ 2.81Å
46	V	27.7	Very low	28.7	Very low	119 Å²	119	102.5 Å²	102.5	72%	0.721	60%	0.598	S	S	*	*			trans	-77.2	86.1	165.6	-175.7	0	0	0	0	108.1	M44 A48	M44-V46 PolarHBondContact O-N 3.44Å; V46-A48 PolarHBondContact O-N 3.23Å; V46-A48 VanDerWaalsContact O-N 3.15Å
47	K	25.3	Very low	28.7	Very low	182 Å²	182	106.7 Å²	106.7	79%	0.791	63%	0.627	S	S	*	*			trans	-67.5	106.5	163.9	-76.1	-169.1	174.6	-174.6	0	108.7	T45	T45-K47 VanDerWaalsContact C-N 3.33Å; T45-K47 HydrophobicContact CG2-CG 4.22Å; T45-K47 PolarHBondContact O-N 2.7Å; T45-K47 VanDerWaalsContact O-N 3.1Å
48	A	25.8	Very low	29	Very low	88 Å²	88	108.4 Å²	108.4	73%	0.727	64%	0.64	S	S	*	*			trans	-69.2	124.2	164.3	0	0	0	0	0	109.2	V46	V46-A48 PolarHBondContact O-N 3.23Å; V46-A48 VanDerWaalsContact O-N 3.15Å
49	S	26.8	Very low	29.2	Very low	109 Å²	109	106 Å²	106	76%	0.762	65%	0.647	S	S	*	*			trans	-101.8	80.1	-178.5	56.4	0	0	0	0	111.3	S51	S49-S51 PolarHBondContact O-N 3.35Å
50	N	26.6	Very low	29.3	Very low	151 Å²	151	108.8 Å²	108.8	81%	0.807	66%	0.664	S	S	*	*			trans	-72.2	106.1	168.4	-80.4	6.1	0	0	0	109.6	T52	N50-T52 PolarHBondContact O-N 3.17Å
51	S	29.2	Very low	29.7	Very low	113 Å²	113	112.1 Å²	112.1	79%	0.79	68%	0.675	S	S	*	*			trans	-89	89.1	172.1	41.4	0	0	0	0	110.1	S49	S49-S51 PolarHBondContact O-N 3.35Å
52	T	27.4	Very low	30.1	Very low	113 Å²	113	115.2 Å²	115.2	69%	0.693	69%	0.693	S	S	*	*			trans	-95.5	96.2	173.9	-54.6	0	0	0	0	110.1	N50	N50-T52 PolarHBondContact O-N 3.17Å
53	T	31.1	Very low	30.6	Very low	141 Å²	141	118.4 Å²	118.4	87%	0.865	72%	0.715	S	S	*	*			trans	-79.5	129	173.9	-48.8	0	0	0	0	110
54	T	28	Very low	31.4	Very low	105 Å²	105	117.1 Å²	117.1	64%	0.644	72%	0.721	S	S	*	*			trans	-121.7	132.6	-171.1	10.3	0	0	0	0	112.4
55	L	30.5	Very low	32.3	Very low	160 Å²	160	120.5 Å²	120.5	84%	0.838	75%	0.746	S	S	*	*			trans	67.7	154.9	161.8	-50.3	168.1	0	0	0	115
56	T	31.4	Very low	33.1	Very low	125 Å²	125	122.4 Å²	122.4	77%	0.767	76%	0.763	S	S	*	*			cis	-134.4	151.7	3.9	46.2	0	0	0	0	111.3
57	P	33.3	Very low	34.2	Very low	126 Å²	126	125 Å²	125	82%	0.818	77%	0.769	S	S	*	*			trans	-95.8	164.7	172.5	37.9	-33.9	0	0	0	113.6
58	S	36.6	Very low	35.5	Very low	113 Å²	113	121.5 Å²	121.5	79%	0.79	77%	0.765	S	S	*	*			trans	-139.7	139	168	60	0	0	0	0	112.2
59	S	34.2	Very low	36.3	Very low	104 Å²	104	122.7 Å²	122.7	73%	0.727	77%	0.768	S	S	*	*			trans	-12.5	143.8	167.1	55.8	0	0	0	0	118.4
60	T	36.4	Very low	37.2	Very low	119 Å²	119	122.9 Å²	122.9	73%	0.73	77%	0.769	S	S	*	*				-159.7	152.6	57.5	41.8	0	0	0	0	115.1
61	T	35.3	Very low	38.3	Very low	120 Å²	120	121.4 Å²	121.4	74%	0.736	77%	0.768	S	S	*	*			trans	24.7	146.9	146	60.8	0	0	0	0	121.6
62	T	37	Very low	39	Very low	112 Å²	112	121.2 Å²	121.2	69%	0.687	77%	0.767	S	S	*	*			cis	-167.1	152.3	40	-25.9	0	0	0	0	112.7
63	T	38.7	Very low	39.6	Very low	126 Å²	126	122.8 Å²	122.8	77%	0.773	77%	0.771	S	S	*	*			trans	56.5	151.6	157.5	47.6	0	0	0	0	120.7
64	S	43.9	Very low	40.1	Very low	110 Å²	110	120.8 Å²	120.8	77%	0.769	76%	0.763	S	S	*	*			cis	-166.6	162.5	-27.4	-99.7	0	0	0	0	109.7
65	P	47.2	Very low	41.1	Very low	116 Å²	116	121 Å²	121	75%	0.753	77%	0.766	S	S	*	*			trans	-126.4	171.3	-155	42.9	-30.7	0	0	0	117.5
66	S	43.5	Very low	41.5	Very low	118 Å²	118	117.8 Å²	117.8	83%	0.825	76%	0.756	S	S	*	*			trans	-164.4	160.1	155.7	58.6	0	0	0	0	111.1
67	M	50.7	Low	41.9	Very low	175 Å²	175	118.5 Å²	118.5	86%	0.862	76%	0.756	S	S	*	*				-164.4	163.7	-57.2	-107	-99.2	139.9	0	0	108
68	P	51.1	Low	42.3	Very low	108 Å²	108	118.4 Å²	118.4	70%	0.701	75%	0.748	S	S	*	*			trans	-125.8	174.5	-152.9	44.2	-33.9	0	0	0	117.7
69	S	42.4	Very low	42.4	Very low	113 Å²	113	121.6 Å²	121.6	79%	0.79	75%	0.748	S	S	*	*			trans	-172.9	149.8	163.7	53.8	0	0	0	0	110.1
70	S	47.2	Very low	42.8	Very low	112 Å²	112	120.6 Å²	120.6	78%	0.783	74%	0.741	S	S	*	*			cis	-168.2	167.6	-14.8	42.6	0	0	0	0	108.9
71	P	50	Low	43	Very low	120 Å²	120	122 Å²	122	78%	0.779	74%	0.744	S	S	*	*			trans	-111.6	-158.1	-157	43.8	-37.4	0	0	0	116.1
72	S	43.2	Very low	43.3	Very low	110 Å²	110	122.5 Å²	122.5	77%	0.769	74%	0.743	S	S	*	*			trans	82.2	150.6	172.8	75	0	0	0	0	116.8
73	D	40	Very low	43.4	Very low	146 Å²	146	122.2 Å²	122.2	78%	0.781	74%	0.741	S	S	*	*			cis	-147.1	-161.3	2	-140.3	-42.8	0	0	0	114
74	S	41.3	Very low	43.4	Very low	99 Å²	99	122.3 Å²	122.3	69%	0.692	74%	0.737	S	S	*	*			trans	-112.6	-138.7	-156.4	49	0	0	0	0	117.2
75	P	48.3	Very low	43.1	Very low	110 Å²	110	122.7 Å²	122.7	71%	0.714	73%	0.734	S	S	*	*				-128.9	-171.3	-104.5	40.8	-23.4	0	0	0	117.7
76	S	40.4	Very low	42.7	Very low	91 Å²	91	122.7 Å²	122.7	64%	0.636	74%	0.737	S	S	*	*			trans	105.9	147.2	138.7	89.4	0	0	0	0	123.6
77	D	39.6	Very low	42.3	Very low	140 Å²	140	120.2 Å²	120.2	75%	0.749	73%	0.73	S	S	*	*			trans	63.3	160.2	155.8	-34.5	-45.5	0	0	0	120.4
78	D	40.4	Very low	41.6	Very low	124 Å²	124	118.5 Å²	118.5	66%	0.663	73%	0.729	S	S	*	*			cis	-163.1	177	0.7	-150.3	-15.3	0	0	0	113.5
79	F	40.3	Very low	40.8	Very low	180 Å²	180	122.5 Å²	122.5	79%	0.789	74%	0.736	S	S	*	*			trans	62	160.5	165.5	-63.7	-76.3	0	0	0	120.1
80	S	41.2	Very low	40.8	Very low	83 Å²	83	122.3 Å²	122.3	58%	0.58	73%	0.732	S	S	*	*			cis	180	175.3	-32.3	71.8	0	0	0	0	108.7
81	D	41.5	Very low	40.2	Very low	149 Å²	149	125.1 Å²	125.1	80%	0.797	74%	0.737	S	S	*	*			cis	-141.2	-166.3	-10.6	-65.7	-75.8	0	0	0	106.1
82	D	40.7	Very low	39.2	Very low	131 Å²	131	125 Å²	125	70%	0.701	74%	0.735	S	S	*	*			cis	-148.7	-147.1	-4.9	-161.6	9.1	0	0	0	106.2
83	T	40.1	Very low	38.7	Very low	105 Å²	105	126.1 Å²	126.1	64%	0.644	74%	0.737	S	S	*	*			cis	-153.4	152	2.3	-22.3	0	0	0	0	112
84	N	38.6	Very low	38.2	Very low	129 Å²	129	123.3 Å²	123.3	69%	0.69	73%	0.734	S	S	*	*			trans	9.7	146.7	145.5	-71.1	-32.6	0	0	0	122.4
85	T	38.2	Very low	37.9	Very low	118 Å²	118	126.8 Å²	126.8	72%	0.724	74%	0.744	S	S	*	*			cis	-158.9	147.1	9.5	-2.3	0	0	0	0	114.2
86	S	38.5	Very low	37.1	Very low	116 Å²	116	125.6 Å²	125.6	81%	0.811	74%	0.738	S	S	*	*			trans	32.6	139.2	147	62.6	0	0	0	0	123.2
87	G	35.6	Very low	36.6	Very low	66 Å²	66	130.8 Å²	130.8	68%	0.68	75%	0.749	S	S	*	*			cis	149.3	163.9	-5.6	0	0	0	0	0	114.3
88	V	34.9	Very low	36.4	Very low	138 Å²	138	130 Å²	130	84%	0.836	75%	0.752	S	S	*	*			trans	65.5	142.1	157.9	-177.4	0	0	0	0	117.8
89	F	35	Very low	36	Very low	193 Å²	193	130.6 Å²	130.6	85%	0.846	76%	0.76	S	S	*	*			cis	-169.3	172.3	-36.2	-103.9	-46.7	0	0	0	106.3
90	P	42.1	Very low	35.7	Very low	108 Å²	108	126.6 Å²	126.6	70%	0.701	76%	0.76	S	S	*	*			trans	-113.6	174.5	-164.4	42.6	-37.7	0	0	0	116.2
91	L	33.5	Very low	35.3	Very low	172 Å²	172	128.1 Å²	128.1	90%	0.901	77%	0.768	S	S	*	*			trans	-151.1	166.2	147.7	-145.9	68.6	0	0	0	112.6
92	T	29.7	Very low	35	Very low	118 Å²	118	129.8 Å²	129.8	72%	0.724	78%	0.776	S	S	*	*			trans	-93.5	165.4	-173.7	54.4	0	0	0	0	113.9
93	T	33.5	Very low	34.6	Very low	133 Å²	133	129 Å²	129	82%	0.816	78%	0.781	S	S	*	*				150.6	149.7	122.1	-59.3	0	0	0	0	110.9
94	A	29.5	Very low	34.4	Very low	87 Å²	87	129.8 Å²	129.8	72%	0.719	79%	0.787	S	S	*	*			trans	-85.3	163.6	-175.7	0	0	0	0	0	113.9
95	L	34	Very low	34.1	Very low	172 Å²	172	134.8 Å²	134.8	90%	0.901	80%	0.797	S	S	*	*			trans	-158.4	176.6	147.8	-107.7	171.7	0	0	0	109.9
96	S	30.7	Very low	33.6	Very low	84 Å²	84	137 Å²	137	59%	0.587	80%	0.804	S	S	*	*			trans	-145.1	164.9	-161.4	-54.6	0	0	0	0	114.9
97	F	30.8	Very low	33.4	Very low	200 Å²	200	138 Å²	138	88%	0.877	81%	0.806	S	S	*	*			trans	70.4	169.2	168.4	-55.8	-65.4	0	0	0	115.8
98	P	36.1	Very low	32.9	Very low	124 Å²	124	141.4 Å²	141.4	81%	0.805	81%	0.813	S	S	*	*			cis	-127.4	-175.8	1.8	40.4	-23.3	0	0	0	116.2
99	V	30.9	Very low	32.7	Very low	136 Å²	136	140.7 Å²	140.7	82%	0.824	82%	0.815	S	S	*	*			trans	-86.3	146.3	173.7	172.2	0	0	0	0	111.3
100	A	34.1	Very low	32.2	Very low	96 Å²	96	136.3 Å²	136.3	79%	0.793	81%	0.808	S	S	*	*			trans	-149.5	125.2	161.4	0	0	0	0	0	112.2
101	P	33.1	Very low	31.5	Very low	115 Å²	115	138.4 Å²	138.4	75%	0.747	81%	0.811	S	S	*	*			trans	-100.3	157.8	171.5	37.3	-31.9	0	0	0	112.4
102	L	34.8	Very low	31.3	Very low	185 Å²	185	136.3 Å²	136.3	97%	0.969	81%	0.806	S	S	*	*			trans	-132.6	148.2	169.8	-79.9	173.1	0	0	0	112.1
103	S	32.9	Very low	31.1	Very low	114 Å²	114	136.9 Å²	136.9	80%	0.797	81%	0.81	S	S	*	*			trans	-102.3	166.7	-166.7	-113.8	0	0	0	0	113.5
104	P	35.9	Very low	30.8	Very low	121 Å²	121	134.2 Å²	134.2	79%	0.786	81%	0.809	S	S	*	*			trans	-80.9	166.3	-167.4	33.7	-37.2	0	0	0	114.1
105	R	33.3	Very low	30.6	Very low	235 Å²	235	138.3 Å²	138.3	89%	0.887	82%	0.817	S	S	*	*			trans	-129.1	123.5	163.3	-75.7	-172.5	171.5	-168	-2.6	111
106	N	27.8	Very low	30.4	Very low	163 Å²	163	137 Å²	137	87%	0.872	82%	0.816	S	S	*	*			trans	-76.1	144.3	159.4	-75.8	-24.1	0	0	0	109.1
107	T	32.9	Very low	30.4	Very low	139 Å²	139	143.1 Å²	143.1	85%	0.853	83%	0.832	S	S	*	*			trans	-137.7	123.2	158.6	-46.9	0	0	0	0	108.4
108	T	25.2	Very low	30.2	Very low	136 Å²	136	143 Å²	143	83%	0.834	83%	0.831	S	S	*	*			trans	-99.2	132.3	-179.1	45.9	0	0	0	0	111.4
109	S	31	Very low	29.8	Very low	124 Å²	124	147.8 Å²	147.8	87%	0.867	83%	0.833	S	S	*	*			trans	-143.5	153.4	157.1	57.5	0	0	0	0	109
110	S	25.1	Very low	29.7	Very low	101 Å²	101	152.8 Å²	152.8	71%	0.706	84%	0.837	S	S	*	*			trans	-150.1	166.3	-155.5	55.1	0	0	0	0	112.8
111	I	26.6	Very low	29.7	Very low	151 Å²	151	153.3 Å²	153.3	77%	0.774	84%	0.835	S	S	*	*			trans	76.9	139	173.7	-49.8	168.5	0	0	0	110.7
112	T	29.1	Very low	29.5	Very low	128 Å²	128	153.8 Å²	153.8	79%	0.785	84%	0.841	S	S	*	*			cis	-131.1	171.9	18.4	-22.1	0	0	0	0	113.8
113	T	26.3	Very low	30	Very low	131 Å²	131	147.1 Å²	147.1	80%	0.804	81%	0.81	S	S	*	*			trans	-66.3	148.6	-178.4	49	0	0	0	0	117.4
114	G	27.5	Very low	30.8	Very low	77 Å²	77	143.3 Å²	143.3	79%	0.794	78%	0.784	S	S	*	*			trans	-157.9	129.7	156.5	0	0	0	0	0	111.5
115	L	24.9	Very low	31.2	Very low	172 Å²	172	140.8 Å²	140.8	90%	0.901	77%	0.767	S	S	*	*			trans	-89.3	118.9	-175.5	-85.1	77.9	0	0	0	112.9
116	V	29.6	Very low	31.8	Very low	145 Å²	145	134.9 Å²	134.9	88%	0.879	75%	0.75	S	S	*	*			trans	-139.8	153	150.4	-174.5	0	0	0	0	109.6
117	K	30	Very low	32.8	Very low	212 Å²	212	130.6 Å²	130.6	92%	0.922	73%	0.727	S	S	*	*			trans	-56.5	145.7	-171.9	-69.5	170.4	176.4	172.2	0	114.2
118	K	26.7	Very low	33.6	Very low	197 Å²	197	126.5 Å²	126.5	86%	0.857	70%	0.699	S	S	*	*			trans	-123.2	126.1	-177.5	171	-176.2	-177.9	174.6	0	111.6
119	R	28.7	Very low	34.4	Very low	226 Å²	226	120.1 Å²	120.1	85%	0.853	66%	0.66	S	S	*	*			trans	177.6	113.8	135.8	-103.6	171.4	178	-169.5	-0.5	113.5
120	R	28.6	Very low	35.3	Very low	240 Å²	240	121.9 Å²	121.9	91%	0.906	65%	0.648	S	S	*	*			trans	57.7	144.6	147.3	-64.4	179.8	174.6	178.1	-4.2	118.1
121	S	33.1	Very low	36.4	Very low	107 Å²	107	124 Å²	124	75%	0.748	65%	0.646	S	S	*	*			cis	-149.8	146.1	3.2	40	0	0	0	0	111.3
122	S	30.8	Very low	37.4	Very low	125 Å²	125	121.7 Å²	121.7	87%	0.874	63%	0.631	S	S	*	*			trans	-114.7	87.4	168.6	56.4	0	0	0	0	109.2
123	S	44.7	Very low	38.4	Very low	45 Å²	45	117.1 Å²	117.1	32%	0.315	60%	0.601	S	S	.	*			trans	-78.1	147.4	173.8	14.8	0	0	0	0	111.3
124	S	49.8	Very low	38.7	Very low	35 Å²	35	114.5 Å²	114.5	25%	0.245	59%	0.586	C	S	.	*			trans	-60.9	151.5	168.5	-180	0	0	0	0	110	E126 D127 I128	S124-E126 PolarHBondContact O-N 3.44Å; S124-E126 VanDerWaalsContact O-N 3.13Å; S124-E126 WeakPolarHBondContact OG-CB 3.48Å; S124-E126 PolarHBondContact OG-N 3.25Å; S124-E126 PolarHBondContact OG-OE2 2.93Å; S124-D127 VanDerWaalsContact CB-OD2 3.23Å; S124-D127 WeakPolarHBondContact CB-OD2 3.42Å; S124-D127 PolarHBondContact N-OD2 2.81Å; S124-D127 WeakPolarHBondContact O-CB 3.41Å; S124-D127 PolarHBondContact O-N 3.38Å; S124-I128 WeakPolarHBondContact O-CG1 3.33Å; S124-I128 PolarHBondContact O-N 2.85Å
125	P	42.7	Very low	39.1	Very low	68 Å²	68	118.4 Å²	118.4	44%	0.442	58%	0.583	S	S	.	*	H	α-helix	trans	-50.3	-31.6	163.8	-27.9	36.6	0	0	0	113	C129 V484	P125-C129 PolarHBondContact O-N 3.41Å; P125-C129 PolarHBondContact O-SG 2.98Å; P125-V484 HydrophobicContact CB-CG1 4.14Å
126	E	47.3	Very low	39.6	Very low	110 Å²	110	112.7 Å²	112.7	51%	0.514	55%	0.554	S	S	.	*	H	α-helix	trans	-67.6	-42.7	175.2	-58.4	156.8	148.8	0	0	111.6	S124 C129 R130	S124-E126 PolarHBondContact O-N 3.44Å; S124-E126 VanDerWaalsContact O-N 3.13Å; S124-E126 WeakPolarHBondContact OG-CB 3.48Å; S124-E126 PolarHBondContact OG-N 3.25Å; S124-E126 PolarHBondContact OG-OE2 2.93Å; E126-C129 PolarHBondContact O-N 3.39Å; E126-R130 WeakPolarHBondContact O-CG 3.37Å; E126-R130 PolarHBondContact O-N 3.01Å; E126-R130 VanDerWaalsContact O-N 3.13Å
127	D	47.3	Very low	39.6	Very low	74 Å²	74	111.7 Å²	111.7	40%	0.396	54%	0.542	S	S	.	.	H	α-helix	trans	-65.2	-44.4	175.2	-58.6	-40.9	0	0	0	110.2	S124 C129 R130 E131	S124-D127 VanDerWaalsContact CB-OD2 3.23Å; S124-D127 WeakPolarHBondContact CB-OD2 3.42Å; S124-D127 PolarHBondContact N-OD2 2.81Å; S124-D127 WeakPolarHBondContact O-CB 3.41Å; S124-D127 PolarHBondContact O-N 3.38Å; D127-C129 VanDerWaalsContact C-N 3.3Å; D127-C129 PolarHBondContact O-N 3.47Å; D127-R130 CarbonylContact O-C 3.58Å; D127-R130 PolarHBondContact O-N 3Å; D127-E131 WeakPolarHBondContact O-CB 3.44Å; D127-E131 WeakPolarHBondContact O-CG 3.35Å; D127-E131 PolarHBondContact O-N 3.17Å
128	I	50.8	Low	39.6	Very low	52 Å²	52	105.7 Å²	105.7	27%	0.267	52%	0.52	S	S	.	.	H	α-helix	trans	-60.2	-40.7	178.9	-64.3	168.7	0	0	0	110.8	S124 R130 K132 L444	S124-I128 WeakPolarHBondContact O-CG1 3.33Å; S124-I128 PolarHBondContact O-N 2.85Å; I128-R130 VanDerWaalsContact C-N 3.31Å; I128-R130 PolarHBondContact O-N 3.37Å; I128-K132 HydrophobicContact CG2-CD 4.03Å; I128-K132 HydrophobicContact CG2-CG 4.38Å; I128-K132 VanDerWaalsContact O-CB 3.24Å; I128-K132 WeakPolarHBondContact O-CB 3.38Å; I128-K132 WeakPolarHBondContact O-CG 3.49Å; I128-K132 PolarHBondContact O-N 2.98Å; I128-L444 HydrophobicContact CG2-CD2 3.66Å
129	C	41.8	Very low	39.6	Very low	2 Å²	2	102.1 Å²	102.1	1%	0.014	50%	0.504	C	S	.	.	H	α-helix	trans	-66.3	-32.3	174.9	-65.6	0	0	0	0	112.3	P125 E126 D127 I133 E481	P125-C129 PolarHBondContact O-N 3.41Å; P125-C129 PolarHBondContact O-SG 2.98Å; E126-C129 PolarHBondContact O-N 3.39Å; D127-C129 VanDerWaalsContact C-N 3.3Å; D127-C129 PolarHBondContact O-N 3.47Å; C129-I133 HydrophobicContact CB-CD1 4.22Å; C129-I133 WeakPolarHBondContact O-CB 3.38Å; C129-I133 WeakPolarHBondContact O-CD1 3.46Å; C129-I133 WeakPolarHBondContact O-CG1 3.42Å; C129-I133 PolarHBondContact O-N 2.84Å; C129-E481 HydrophobicContact CB-CG 4.42Å
130	R	49.9	Very low	39.6	Very low	162 Å²	162	95 Å²	95	61%	0.611	49%	0.486	S	S	*	.	H	α-helix	trans	-84.3	-34.3	-178.8	-69.5	170.6	-170.2	178.5	6.4	113.4	E126 D127 I128 E481	E126-R130 WeakPolarHBondContact O-CG 3.37Å; E126-R130 PolarHBondContact O-N 3.01Å; E126-R130 VanDerWaalsContact O-N 3.13Å; D127-R130 CarbonylContact O-C 3.58Å; D127-R130 PolarHBondContact O-N 3Å; I128-R130 VanDerWaalsContact C-N 3.31Å; I128-R130 PolarHBondContact O-N 3.37Å; R130-E481 IonicContact CZ-OE1 3.46Å; R130-E481 IonicContact NE-OE1 3.66Å; R130-E481 PolarHBondContact NE-OE1 3.13Å; R130-E481 IonicContact NH2-OE1 3.36Å; R130-E481 PolarHBondContact NH2-OE1 3.32Å
131	E	47.8	Very low	39.6	Very low	144 Å²	144	90.2 Å²	90.2	67%	0.673	49%	0.489	S	S	*	.	H	α-helix	trans	-74.4	-35.6	175.5	-70	-175.2	145.4	0	0	112.1	D127	D127-E131 WeakPolarHBondContact O-CB 3.44Å; D127-E131 WeakPolarHBondContact O-CG 3.35Å; D127-E131 PolarHBondContact O-N 3.17Å
132	K	48.7	Very low	39.5	Very low	104 Å²	104	89.3 Å²	89.3	45%	0.452	48%	0.483	S	S	.	.	H	α-helix	trans	-90.2	-15.3	-178.1	-69.3	-166.6	169.2	-147.8	0	115.8	I128 P134 L444	I128-K132 HydrophobicContact CG2-CD 4.03Å; I128-K132 HydrophobicContact CG2-CG 4.38Å; I128-K132 VanDerWaalsContact O-CB 3.24Å; I128-K132 WeakPolarHBondContact O-CB 3.38Å; I128-K132 WeakPolarHBondContact O-CG 3.49Å; I128-K132 PolarHBondContact O-N 2.98Å; K132-P134 WeakPolarHBondContact O-CD 3.24Å; K132-L444 PolarHBondContact NZ-O 3.38Å
133	I	48.6	Very low	39.4	Very low	32 Å²	32	86.1 Å²	86.1	16%	0.164	47%	0.47	C	S	.	.			trans	-117.9	52.3	-173.3	-42.7	173.3	0	0	0	112.9	C129 I136 I443 I477 Y480	C129-I133 HydrophobicContact CB-CD1 4.22Å; C129-I133 WeakPolarHBondContact O-CB 3.38Å; C129-I133 WeakPolarHBondContact O-CD1 3.46Å; C129-I133 WeakPolarHBondContact O-CG1 3.42Å; C129-I133 PolarHBondContact O-N 2.84Å; I133-I136 HydrophobicContact CG2-CB 4.23Å; I133-I136 HydrophobicContact CG2-CD1 3.37Å; I133-I136 HydrophobicContact CG2-CG1 3.6Å; I133-I443 HydrophobicContact CD1-CG2 4.35Å; I133-I477 HydrophobicContact CD1-CD1 4.07Å; I133-Y480 HydrophobicContact CD1-CD2 4.34Å
134	P	33.1	Very low	38.6	Very low	75 Å²	75	89.1 Å²	89.1	49%	0.487	49%	0.486	S	S	.	.			trans	-69.4	154.8	152.9	33.3	-30.9	0	0	0	109.8	K132	K132-P134 WeakPolarHBondContact O-CD 3.24Å
135	H	36.3	Very low	37.6	Very low	159 Å²	159	92 Å²	92	74%	0.736	50%	0.502	S	S	*	.			trans	77	6.5	172.5	-46.1	-72.8	0	0	0	120	L33 L137	L33-H135 HydrophobicContact CD1-CB 3.69Å; H135-L137 PolarHBondContact O-N 3.27Å; H135-L137 VanDerWaalsContact O-N 3.08Å
136	I	36.3	Very low	37	Very low	53 Å²	53	94.4 Å²	94.4	27%	0.272	52%	0.515	S	S	.	.			trans	-70.4	108.7	164.4	-68.6	-173.6	0	0	0	110.1	L33 I133 L138 L431 Y480	L33-I136 HydrophobicContact CD2-CG1 3.73Å; I133-I136 HydrophobicContact CG2-CB 4.23Å; I133-I136 HydrophobicContact CG2-CD1 3.37Å; I133-I136 HydrophobicContact CG2-CG1 3.6Å; I136-L138 HydrophobicContact CG2-CD2 3.8Å; I136-L138 HydrophobicContact CG2-CG 4.2Å; I136-L138 PolarHBondContact O-N 2.59Å; I136-L431 HydrophobicContact CD1-CD2 4.41Å; I136-Y480 HydrophobicContact CD1-CE2 3.8Å
137	L	28.5	Very low	36.3	Very low	123 Å²	123	94.7 Å²	94.7	64%	0.644	53%	0.527	S	S	*	.			trans	-89.4	84.6	-174.4	-151.4	171.6	0	0	0	110.2	H135 V145	H135-L137 PolarHBondContact O-N 3.27Å; H135-L137 VanDerWaalsContact O-N 3.08Å; L137-V145 HydrophobicContact CD1-CG1 4.17Å; L137-V145 HydrophobicContact CD2-CB 4.45Å; L137-V145 HydrophobicContact CD2-CG1 3.9Å; L137-V145 HydrophobicContact CD2-CG2 3.77Å; L137-V145 HydrophobicContact CG-CG1 4.38Å
138	L	29.4	Very low	35.7	Very low	86 Å²	86	99.7 Å²	99.7	45%	0.45	55%	0.553	S	S	.	*			trans	-64.4	136.4	-175.5	-68.2	179.2	0	0	0	112.9	I136 P476	I136-L138 HydrophobicContact CG2-CD2 3.8Å; I136-L138 HydrophobicContact CG2-CG 4.2Å; I136-L138 PolarHBondContact O-N 2.59Å; L138-P476 HydrophobicContact CD2-CB 4.08Å; L138-P476 HydrophobicContact CD2-CG 3.72Å
139	K	26.4	Very low	34.9	Very low	122 Å²	122	101.4 Å²	101.4	53%	0.53	58%	0.575	S	S	.	*			trans	-97.2	106.3	-174.4	-174.8	-166.6	172.5	-154.9	0	110.8	R38	R38-K139 HydrophobicContact CG-CD 4.05Å
140	T	29.2	Very low	34.5	Very low	76 Å²	76	107 Å²	107	47%	0.466	61%	0.614	S	S	.	*			trans	-69.7	162.5	166	59.9	0	0	0	0	111.1	S142	T140-S142 PolarHBondContact O-N 3.14Å; T140-S142 PolarHBondContact OG1-OG 3.07Å
141	S	29.3	Very low	33.7	Very low	140 Å²	140	111.9 Å²	111.9	98%	0.979	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.9	-12	174.7	48.7	0	0	0	0	114.3
142	S	31.5	Very low	33	Very low	88 Å²	88	107.9 Å²	107.9	62%	0.615	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.6	-5.8	-176	55.5	0	0	0	0	115.4	T140 V144	T140-S142 PolarHBondContact O-N 3.14Å; T140-S142 PolarHBondContact OG1-OG 3.07Å; S142-V144 VanDerWaalsContact C-N 3.33Å; S142-V144 PolarHBondContact O-N 2.88Å
143	G	27	Very low	32.3	Very low	59 Å²	59	112.7 Å²	112.7	61%	0.608	65%	0.654	S	S	*	*			trans	73.9	8.3	166.2	0	0	0	0	0	117.7
144	V	28.3	Very low	31.4	Very low	107 Å²	107	123.2 Å²	123.2	65%	0.648	69%	0.692	S	S	*	*			trans	-93.6	139.5	175.4	-178.7	0	0	0	0	110.7	S142 V146	S142-V144 VanDerWaalsContact C-N 3.33Å; S142-V144 PolarHBondContact O-N 2.88Å; V144-V146 HydrophobicContact CG1-CG2 4.31Å
145	V	29.1	Very low	31.3	Very low	95 Å²	95	124.2 Å²	124.2	58%	0.576	71%	0.706	S	S	*	*			trans	-109.5	128.9	176.5	175.3	0	0	0	0	109.9	L137	L137-V145 HydrophobicContact CD1-CG1 4.17Å; L137-V145 HydrophobicContact CD2-CB 4.45Å; L137-V145 HydrophobicContact CD2-CG1 3.9Å; L137-V145 HydrophobicContact CD2-CG2 3.77Å; L137-V145 HydrophobicContact CG-CG1 4.38Å
146	V	30.1	Very low	31.1	Very low	119 Å²	119	122.8 Å²	122.8	72%	0.721	71%	0.711	S	S	*	*			trans	-133.9	128.6	170.2	-174.8	0	0	0	0	108.3	V144 L148	V144-V146 HydrophobicContact CG1-CG2 4.31Å; V146-L148 PolarHBondContact O-N 3.41Å
147	P	33.4	Very low	30.7	Very low	117 Å²	117	125 Å²	125	76%	0.76	74%	0.737	S	S	*	*			trans	-71.5	125.8	175.6	-12.9	28	0	0	0	110.6	A149	P147-A149 PolarHBondContact O-N 3.04Å
148	L	33.8	Very low	30.9	Very low	179 Å²	179	127.2 Å²	127.2	94%	0.937	75%	0.748	S	S	*	*			trans	-80.8	101.2	170.5	-161.5	76.3	0	0	0	109.1	V146	V146-L148 PolarHBondContact O-N 3.41Å
149	A	34.3	Very low	31	Very low	88 Å²	88	129.2 Å²	129.2	73%	0.727	76%	0.764	S	S	*	*			trans	-61.7	146.7	179.5	0	0	0	0	0	112	P147 R151	P147-A149 PolarHBondContact O-N 3.04Å; A149-R151 PolarHBondContact O-N 3.36Å
150	S	33.9	Very low	31.1	Very low	119 Å²	119	130.8 Å²	130.8	83%	0.832	78%	0.777	S	S	*	*			trans	-62.1	136.3	175.3	45.7	0	0	0	0	111	G152	S150-G152 PolarHBondContact O-N 2.91Å
151	R	33	Very low	31.3	Very low	264 Å²	264	135.8 Å²	135.8	100%	0.996	80%	0.795	S	S	*	*	S	Bend	trans	-68.9	85	-168.7	-174.1	-179.2	-177.4	175.5	0.9	111.9	A149	A149-R151 PolarHBondContact O-N 3.36Å
152	G	33.7	Very low	31.4	Very low	61 Å²	61	136.2 Å²	136.2	63%	0.629	79%	0.787	S	S	*	*			trans	-137.7	-3.3	-165.1	0	0	0	0	0	119.1	S150	S150-G152 PolarHBondContact O-N 2.91Å
153	Q	34.1	Very low	31.8	Very low	205 Å²	205	137.6 Å²	137.6	96%	0.958	79%	0.793	S	S	*	*			trans	-157.8	159	175.4	-113.4	157.4	59.5	0	0	113.5
154	R	28.2	Very low	32.2	Very low	253 Å²	253	140.6 Å²	140.6	96%	0.955	80%	0.802	S	S	*	*			trans	-101.4	128.3	177.8	-90.6	178.4	163.4	176.5	-5.7	110.7
155	A	31.5	Very low	32.5	Very low	95 Å²	95	141.2 Å²	141.2	79%	0.785	81%	0.809	S	S	*	*			trans	-147.9	155.1	159.2	0	0	0	0	0	109
156	P	31.8	Very low	32.7	Very low	129 Å²	129	142.6 Å²	142.6	84%	0.838	82%	0.823	S	S	*	*			trans	-86.2	172.9	-161.8	34	-36.6	0	0	0	115.3
157	A	28.6	Very low	32.8	Very low	99 Å²	99	141.9 Å²	141.9	82%	0.818	83%	0.829	S	S	*	*			trans	-73.4	152.9	-172.4	0	0	0	0	0	114.7
158	I	32.8	Very low	32.6	Very low	170 Å²	170	141.2 Å²	141.2	87%	0.872	83%	0.833	S	S	*	*			trans	-126.7	139.2	163.7	-63.7	179.5	0	0	0	107.9
159	T	31.5	Very low	32.6	Very low	129 Å²	129	140.3 Å²	140.3	79%	0.791	83%	0.828	S	S	*	*			trans	-76.2	141.4	-168.3	-52.4	0	0	0	0	113.4
160	L	28.6	Very low	32.2	Very low	155 Å²	155	147.8 Å²	147.8	81%	0.812	84%	0.837	S	S	*	*			trans	-70.4	126.9	168.2	-85.8	159.7	0	0	0	111.6
161	Q	32.4	Very low	32.2	Very low	180 Å²	180	148.5 Å²	148.5	84%	0.841	84%	0.837	S	S	*	*			trans	-112.4	128.4	159.5	-82.5	-174.4	-29.4	0	0	109.6
162	N	32.4	Very low	32.2	Very low	149 Å²	149	142.4 Å²	142.4	80%	0.797	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-85.6	131	174.1	-64.7	-32.1	0	0	0	109.9
163	P	40.1	Very low	32.3	Very low	117 Å²	117	144.7 Å²	144.7	76%	0.76	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-72.4	150.4	163.6	30.7	-32.8	0	0	0	110.9
164	P	35.3	Very low	32.8	Very low	122 Å²	122	140.7 Å²	140.7	79%	0.792	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-87.7	161.9	-171.6	35.2	-37.1	0	0	0	114
165	P	33.3	Very low	33.2	Very low	121 Å²	121	134.3 Å²	134.3	79%	0.786	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-94.7	127.8	174.5	34.6	-30.3	0	0	0	112.7
166	S	33.7	Very low	33.2	Very low	124 Å²	124	135.1 Å²	135.1	87%	0.867	82%	0.815	S	S	*	*			trans	179.5	164.6	150.9	-93.9	0	0	0	0	115.7
167	A	32.6	Very low	33.3	Very low	104 Å²	104	138.8 Å²	138.8	86%	0.86	82%	0.818	S	S	*	*			trans	75.5	140	156.7	0	0	0	0	0	119.2
168	A	28.9	Very low	33.4	Very low	102 Å²	102	138.6 Å²	138.6	84%	0.843	81%	0.811	S	S	*	*			trans	-105.4	152.1	177.4	0	0	0	0	0	111.2
169	I	33.3	Very low	33.2	Very low	161 Å²	161	136.5 Å²	136.5	83%	0.826	81%	0.806	S	S	*	*			trans	-124.6	131.6	172.1	-63.7	179.9	0	0	0	108.9
170	R	26	Very low	33.2	Very low	244 Å²	244	140.4 Å²	140.4	92%	0.921	81%	0.813	S	S	*	*			trans	-80.9	139.8	172.6	-77.4	173.2	155.4	-168	-5.4	110.3
171	T	34.2	Very low	33.1	Very low	134 Å²	134	138 Å²	138	82%	0.822	81%	0.809	S	S	*	*			trans	-127.7	115	164.4	51.5	0	0	0	0	112
172	V	33	Very low	33.1	Very low	136 Å²	136	136 Å²	136	82%	0.824	81%	0.809	S	S	*	*			trans	-32	143.2	175.4	-172.4	0	0	0	0	117
173	P	35.5	Very low	32.8	Very low	109 Å²	109	139.7 Å²	139.7	71%	0.708	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-85.4	153.8	168.6	35.9	-35	0	0	0	113.2
174	P	46	Very low	32.3	Very low	121 Å²	121	138.6 Å²	138.6	79%	0.786	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-72.8	153.7	175.7	31.2	-35.1	0	0	0	112.7
175	P	35.4	Very low	32.1	Very low	119 Å²	119	140.7 Å²	140.7	77%	0.773	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-85.8	156.6	-170	34.4	-36.9	0	0	0	114.7
176	S	31	Very low	31.9	Very low	112 Å²	112	140.5 Å²	140.5	78%	0.783	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-82.3	143.4	166.8	53.9	0	0	0	0	112.4
177	F	34.4	Very low	31.6	Very low	206 Å²	206	143.1 Å²	143.1	90%	0.904	81%	0.805	S	S	*	*			trans	-127.8	148	157.7	-100.1	-84.3	0	0	0	110.4
178	S	31.2	Very low	31.4	Very low	96 Å²	96	146.6 Å²	146.6	67%	0.671	80%	0.801	S	S	*	*			trans	-119.9	139	-162.7	54	0	0	0	0	113.4
179	T	29.3	Very low	31.4	Very low	125 Å²	125	148.1 Å²	148.1	77%	0.767	80%	0.8	S	S	*	*			trans	43.3	113.5	146.4	57.1	0	0	0	0	119.3
180	F	30.3	Very low	31.6	Very low	211 Å²	211	146.2 Å²	146.2	93%	0.925	80%	0.798	S	S	*	*			trans	-129.9	150.4	132	-123.8	-92.1	0	0	0	109.3
181	S	27.7	Very low	31.7	Very low	106 Å²	106	142.6 Å²	142.6	74%	0.741	80%	0.797	S	S	*	*			trans	-133.2	127.3	-172.9	-175.2	0	0	0	0	110.9
182	V	31.5	Very low	31.6	Very low	138 Å²	138	142.8 Å²	142.8	84%	0.836	80%	0.802	S	S	*	*			trans	-137.8	121.5	170.1	179.6	0	0	0	0	109.2
183	R	27	Very low	31.5	Very low	225 Å²	225	139.5 Å²	139.5	85%	0.849	80%	0.796	S	S	*	*			trans	-75.6	155.4	166.7	-79.4	178	176.9	177.6	-1.7	109
184	S	29	Very low	31.6	Very low	95 Å²	95	139.8 Å²	139.8	66%	0.664	80%	0.801	S	S	*	*			cis	-177.7	-176.7	2.7	41	0	0	0	0	109.8
185	L	29.9	Very low	31	Very low	166 Å²	166	142.7 Å²	142.7	87%	0.869	80%	0.801	S	S	*	*			trans	88.2	154.5	165.2	-56.3	178.9	0	0	0	116.6
186	P	30	Very low	31	Very low	117 Å²	117	143.3 Å²	143.3	76%	0.76	80%	0.798	S	S	*	*			trans	-123.9	-171	-151.9	43	-29	0	0	0	114.6
187	F	27.2	Very low	31.3	Very low	178 Å²	178	144.3 Å²	144.3	78%	0.781	79%	0.794	S	S	*	*			trans	119.1	142.3	142.7	-149.5	-116.9	0	0	0	116.8
188	K	29.6	Very low	31.2	Very low	178 Å²	178	140 Å²	140	77%	0.774	79%	0.786	S	S	*	*			trans	67.5	141.9	172.5	-88	172.1	176.7	176.7	0	120.4
189	T	27.7	Very low	31.3	Very low	133 Å²	133	143.1 Å²	143.1	82%	0.816	79%	0.794	S	S	*	*			trans	-80.8	162.6	170.6	46.9	0	0	0	0	111.7
190	P	37.6	Very low	31.3	Very low	122 Å²	122	141.5 Å²	141.5	79%	0.792	79%	0.794	S	S	*	*			trans	-127.4	151.1	145.1	36.4	-26.4	0	0	0	113
191	N	29.1	Very low	31.4	Very low	168 Å²	168	139.7 Å²	139.7	90%	0.898	79%	0.788	S	S	*	*			trans	-65.4	158	161.5	-84	-10.3	0	0	0	110.6
192	C	32.2	Very low	31.5	Very low	137 Å²	137	140.9 Å²	140.9	93%	0.926	79%	0.786	S	S	*	*			trans	-124.1	125.7	156.8	-170.9	0	0	0	0	108.4
193	G	30.5	Very low	31.4	Very low	68 Å²	68	143.6 Å²	143.6	70%	0.701	79%	0.792	S	S	*	*			trans	-172	122.7	-179.5	0	0	0	0	0	112.6
194	S	36.3	Very low	31.4	Very low	115 Å²	115	142.3 Å²	142.3	80%	0.804	80%	0.796	S	S	*	*			trans	172.3	142.5	171.4	26.8	0	0	0	0	107.7
195	K	34.4	Very low	31.3	Very low	181 Å²	181	140.9 Å²	140.9	79%	0.787	80%	0.797	S	S	*	*			cis	-166.5	-169	-14.3	-137.1	-172.8	-178.5	-161	0	108.4
196	D	35.4	Very low	31.4	Very low	132 Å²	132	141.4 Å²	141.4	71%	0.706	80%	0.799	S	S	*	*			trans	71.6	138.3	166.9	-42	-24.8	0	0	0	116.2
197	D	36.2	Very low	31.4	Very low	133 Å²	133	142.6 Å²	142.6	71%	0.711	80%	0.799	S	S	*	*			cis	-164.7	163.6	-23.5	-115.9	-14.7	0	0	0	109
198	T	33	Very low	31.7	Very low	117 Å²	117	141.3 Å²	141.3	72%	0.718	80%	0.8	S	S	*	*			trans	49.4	126.6	161.6	50.8	0	0	0	0	118.7
199	D	34	Very low	31.9	Very low	160 Å²	160	139 Å²	139	86%	0.856	80%	0.796	S	S	*	*			cis	-149.1	175.8	29.4	-83.3	-47	0	0	0	111.9
200	A	28.6	Very low	32	Very low	92 Å²	92	142.4 Å²	142.4	76%	0.76	80%	0.796	S	S	*	*			trans	-117.8	147.6	-179.6	0	0	0	0	0	112.7
201	E	32.5	Very low	31.8	Very low	172 Å²	172	144 Å²	144	80%	0.804	80%	0.797	S	S	*	*				-174.2	143.6	124.5	-105.5	-173.4	-149.1	0	0	113.4
202	N	28.9	Very low	31.8	Very low	131 Å²	131	146.7 Å²	146.7	70%	0.701	80%	0.795	S	S	*	*			trans	47	94.7	145.2	-60.4	-38	0	0	0	120.8
203	M	30.3	Very low	31.5	Very low	195 Å²	195	147.4 Å²	147.4	96%	0.961	78%	0.784	S	S	*	*				-170.4	155.2	93.2	-101.2	-170.3	175.9	0	0	112.9
204	E	27.8	Very low	31.3	Very low	198 Å²	198	149.5 Å²	149.5	93%	0.925	79%	0.786	S	S	*	*			trans	-101.9	155.2	-172.7	-58	177.5	123.1	0	0	113
205	G	26.8	Very low	30.9	Very low	66 Å²	66	149.9 Å²	149.9	68%	0.68	78%	0.783	S	S	*	*			trans	70.8	92.3	146.6	0	0	0	0	0	119.3
206	L	30.4	Very low	30.6	Very low	177 Å²	177	148 Å²	148	93%	0.927	79%	0.787	S	S	*	*			trans	-137.8	131	144.8	-78.7	-179.7	0	0	0	109.4
207	D	29.9	Very low	30.4	Very low	141 Å²	141	144.9 Å²	144.9	75%	0.754	78%	0.776	S	S	*	*			trans	-83.8	144.6	-164.6	-55.1	-79.3	0	0	0	114.9	D209	D207-D209 PolarHBondContact O-N 2.62Å
208	D	34.3	Very low	30.1	Very low	151 Å²	151	145.8 Å²	145.8	81%	0.807	79%	0.786	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.5	12.1	-175.4	-149.9	8.4	0	0	0	114.1
209	D	33.2	Very low	30.6	Very low	129 Å²	129	145 Å²	145	69%	0.69	79%	0.785	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.9	-3.5	-170.5	-150.6	18.1	0	0	0	113.6	D207 L211	D207-D209 PolarHBondContact O-N 2.62Å; D209-L211 VanDerWaalsContact C-N 3.29Å; D209-L211 PolarHBondContact O-N 2.9Å
210	Y	30.6	Very low	30.8	Very low	205 Å²	205	141.1 Å²	141.1	80%	0.804	78%	0.775	S	S	*	*	G	3₁₀ helix	trans	-76.2	-11.3	179.6	-120.3	-86.1	0	0	0	114.4	R212	Y210-R212 VanDerWaalsContact C-N 3.33Å; Y210-R212 PolarHBondContact O-N 3.1Å
211	L	33	Very low	31.7	Very low	155 Å²	155	140.5 Å²	140.5	81%	0.812	76%	0.764	S	S	*	*	G	3₁₀ helix	trans	-87.9	13.1	-173.9	-69.4	174.7	0	0	0	114.7	D209	D209-L211 VanDerWaalsContact C-N 3.29Å; D209-L211 PolarHBondContact O-N 2.9Å
212	R	29.9	Very low	32.8	Very low	226 Å²	226	138.3 Å²	138.3	85%	0.853	76%	0.762	S	S	*	*	G	3₁₀ helix	trans	-134.1	6.8	-172.1	-129	176.8	-167.1	-130.8	0.7	118	Y210 P214	Y210-R212 VanDerWaalsContact C-N 3.33Å; Y210-R212 PolarHBondContact O-N 3.1Å; R212-P214 WeakPolarHBondContact O-CD 3.45Å
213	Q	25.7	Very low	34.3	Very low	151 Å²	151	133 Å²	133	71%	0.706	74%	0.735	S	S	*	*			trans	-90.1	117.5	174.7	-61	-166.7	19.5	0	0	111	T215	Q213-T215 PolarHBondContact O-N 3.35Å
214	P	26	Very low	36	Very low	113 Å²	113	126.4 Å²	126.4	73%	0.734	71%	0.707	S	S	*	*			trans	-69	113	167.4	29.1	-31.5	0	0	0	108.1	R212 T216	R212-P214 WeakPolarHBondContact O-CD 3.45Å; P214-T216 PolarHBondContact O-N 3.49Å
215	T	29	Very low	37.7	Very low	122 Å²	122	117 Å²	117	75%	0.748	66%	0.663	S	S	*	*			trans	-64.9	102.6	-179	44.1	0	0	0	0	110.4	Q213 S217	Q213-T215 PolarHBondContact O-N 3.35Å; T215-S217 PolarHBondContact O-N 2.84Å
216	T	27.9	Very low	39.2	Very low	141 Å²	141	117.4 Å²	117.4	87%	0.865	65%	0.649	S	S	*	*			trans	-75.8	65.3	172.6	54.2	0	0	0	0	110.3	P214	P214-T216 PolarHBondContact O-N 3.49Å
217	S	30.3	Very low	40.4	Very low	68 Å²	68	113.8 Å²	113.8	48%	0.476	63%	0.628	S	S	.	*			trans	-95.2	116	173.9	47.9	0	0	0	0	110.5	T215 S219	T215-S217 PolarHBondContact O-N 2.84Å; S217-S219 PolarHBondContact O-N 3.43Å
218	T	31	Very low	41.2	Very low	152 Å²	152	117.8 Å²	117.8	93%	0.933	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.8	56.9	-174.3	-43.4	0	0	0	0	112.5
219	S	42.1	Very low	41.7	Very low	100 Å²	100	117.2 Å²	117.2	70%	0.699	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-157.1	-7	-178.7	58.9	0	0	0	0	116.6	S217 P221	S217-S219 PolarHBondContact O-N 3.43Å; S219-P221 WeakPolarHBondContact O-CD 3.35Å
220	A	38	Very low	41.7	Very low	78 Å²	78	116.5 Å²	116.5	65%	0.645	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-61.1	120	176.7	0	0	0	0	0	110.3	V222	A220-V222 PolarHBondContact O-N 2.65Å
221	P	47.5	Very low	42.1	Very low	80 Å²	80	118.2 Å²	118.2	52%	0.519	63%	0.629	S	S	.	*	P	Polyproline II helix	trans	-69.2	131.1	-175.9	28.3	-34.3	0	0	0	109.9	S219 W252	S219-P221 WeakPolarHBondContact O-CD 3.35Å; P221-W252 PolarHBondContact O-NE1 3.35Å
222	V	55.6	Low	42.2	Very low	125 Å²	125	122.3 Å²	122.3	76%	0.758	63%	0.634	S	S	*	*	P	Polyproline II helix	trans	-81.7	149.3	170.3	-175.7	0	0	0	0	108.6	A220 P224 W252	A220-V222 PolarHBondContact O-N 2.65Å; V222-P224 WeakPolarHBondContact O-CD 3.48Å; V222-W252 PolarHBondContact O-NE1 3.42Å
223	S	60.8	Low	42.3	Very low	19 Å²	19	115.8 Å²	115.8	13%	0.133	64%	0.638	C	S	.	*	P	Polyproline II helix	trans	-50.9	129.1	170.3	158.6	0	0	0	0	109.9	I225 E249 W252	S223-I225 PolarHBondContact O-N 2.79Å; S223-I225 VanDerWaalsContact O-N 3.1Å; S223-I225 PolarHBondContact OG-N 3.41Å; S223-I225 PolarHBondContact OG-O 2.88Å; S223-E249 VanDerWaalsContact OG-CD 3.31Å; S223-E249 PolarHBondContact OG-OE1 3.49Å; S223-E249 VanDerWaalsContact OG-OE1 3.13Å; S223-E249 PolarHBondContact OG-OE2 3.2Å; S223-W252 VanDerWaalsContact N-CE2 3.32Å
224	P	66.7	Low	42.8	Very low	57 Å²	57	112.4 Å²	112.4	37%	0.37	64%	0.643	S	S	.	*	S	Bend	trans	-58.6	-16	172.1	-27.4	36.4	0	0	0	114.1	V222 P244 A248 E249 W252	V222-P224 WeakPolarHBondContact O-CD 3.48Å; P224-P244 VanDerWaalsContact O-CB 3.28Å; P224-P244 WeakPolarHBondContact O-CB 3.35Å; P224-A248 HydrophobicContact CB-CB 4.19Å; P224-A248 HydrophobicContact CG-CB 3.98Å; P224-E249 WeakPolarHBondContact CD-OE2 3.39Å; P224-W252 HydrophobicContact CG-CB 4.39Å
225	I	62.5	Low	43.2	Very low	1 Å²	1	119.1 Å²	119.1	1%	0.005	65%	0.654	C	S	.	*	S	Bend	trans	-104	95.6	179.1	-62.9	-173.4	0	0	0	109.5	S223 H227 P244 F246 E249 Y539 Q540	S223-I225 PolarHBondContact O-N 2.79Å; S223-I225 VanDerWaalsContact O-N 3.1Å; S223-I225 PolarHBondContact OG-N 3.41Å; S223-I225 PolarHBondContact OG-O 2.88Å; I225-H227 PolarHBondContact O-CD2 2.88Å; I225-H227 PolarHBondContact O-N 3.47Å; I225-P244 HydrophobicContact CG1-CB 4.09Å; I225-F246 HydrophobicContact CD1-CD2 4.43Å; I225-E249 HydrophobicContact CD1-CB 3.66Å; I225-E249 HydrophobicContact CD1-CG 3.75Å; I225-E249 HydrophobicContact CG1-CB 4.11Å; I225-E249 HydrophobicContact CG1-CG 4.25Å; I225-Y539 HydrophobicContact CD1-CD1 3.74Å; I225-Y539 HydrophobicContact CD1-CE1 3.81Å; I225-Y539 HydrophobicContact CG2-CD1 4.39Å; I225-Y539 HydrophobicContact CG2-CE1 4.29Å; I225-Q540 HydrophobicContact CG2-CG 3.84Å
226	D	58.9	Low	43.3	Very low	74 Å²	74	117 Å²	117	40%	0.396	66%	0.656	S	S	.	*			trans	-67.3	95.9	177.3	-176.3	0.6	0	0	0	112.2	R228 Q229	D226-R228 PolarHBondContact O-N 3.24Å; D226-R228 VanDerWaalsContact O-N 3.16Å; D226-R228 WeakPolarHBondContact OD1-CB 3.46Å; D226-R228 PolarHBondContact OD1-N 2.65Å; D226-Q229 HydrophobicContact CB-CG 4.13Å; D226-Q229 PolarHBondContact O-N 3.21Å; D226-Q229 WeakPolarHBondContact OD2-CG 3.4Å; D226-Q229 PolarHBondContact OD2-NE2 3.39Å
227	H	55.1	Low	43.7	Very low	102 Å²	102	116.1 Å²	116.1	47%	0.472	65%	0.65	S	S	.	*	T	Hydrogen-bonded Turn	trans	-63.1	-13.4	177.1	-69.6	-89.9	0	0	0	114.1	I225 E249 Y539	I225-H227 PolarHBondContact O-CD2 2.88Å; I225-H227 PolarHBondContact O-N 3.47Å; H227-E249 IonicContact NE2-OE1 2.68Å; H227-Y539 AromaticContact CE1-CE1 3.82Å; H227-Y539 AromaticContact NE2-CE1 3.93Å
228	R	46.5	Very low	43.8	Very low	224 Å²	224	120 Å²	120	85%	0.845	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	-5.5	-178.1	-69.9	-176.9	168.7	179.6	-1.8	114.6	D226 V230	D226-R228 PolarHBondContact O-N 3.24Å; D226-R228 VanDerWaalsContact O-N 3.16Å; D226-R228 WeakPolarHBondContact OD1-CB 3.46Å; D226-R228 PolarHBondContact OD1-N 2.65Å; R228-V230 VanDerWaalsContact C-N 3.32Å; R228-V230 PolarHBondContact O-N 2.99Å
229	Q	45.4	Very low	44	Very low	139 Å²	139	117.6 Å²	117.6	65%	0.65	66%	0.655	S	S	*	*			trans	-75.8	81.3	-177.6	-64.3	-170.4	22.4	0	0	113.4	D226	D226-Q229 HydrophobicContact CB-CG 4.13Å; D226-Q229 PolarHBondContact O-N 3.21Å; D226-Q229 WeakPolarHBondContact OD2-CG 3.4Å; D226-Q229 PolarHBondContact OD2-NE2 3.39Å
230	V	34.2	Very low	43.5	Very low	114 Å²	114	121.6 Å²	121.6	69%	0.691	66%	0.663	S	S	*	*			trans	-136.7	79.8	165.8	-174.8	0	0	0	0	109.3	R228	R228-V230 VanDerWaalsContact C-N 3.32Å; R228-V230 PolarHBondContact O-N 2.99Å
231	R	37.3	Very low	43.4	Very low	241 Å²	241	122.6 Å²	122.6	91%	0.909	67%	0.665	S	S	*	*			trans	-162.2	121	159.8	-114.9	160.9	-166.5	-150.4	1	115
232	R	36.1	Very low	43	Very low	241 Å²	241	127.6 Å²	127.6	91%	0.909	68%	0.682	S	S	*	*			trans	36.9	120	151.2	-69.4	-176.5	168.9	179.2	-4.8	118.9
233	G	32.3	Very low	42.5	Very low	90 Å²	90	126.9 Å²	126.9	93%	0.928	68%	0.677	S	S	*	*			trans	-65.7	147.1	173.1	0	0	0	0	0	114.7
234	G	35.1	Very low	42.1	Very low	79 Å²	79	128.2 Å²	128.2	81%	0.814	69%	0.685	S	S	*	*			trans	-130.6	165.4	165.2	0	0	0	0	0	109.3
235	R	34	Very low	42.1	Very low	255 Å²	255	129.9 Å²	129.9	96%	0.962	69%	0.691	S	S	*	*	S	Bend	trans	-76.9	130.3	-171.3	-67.5	177.9	178.5	165.3	-1.6	112.9
236	G	32.1	Very low	42.6	Very low	77 Å²	77	130.1 Å²	130.1	79%	0.794	69%	0.692	S	S	*	*			trans	73.2	69.5	134	0	0	0	0	0	118.9
237	V	36.5	Very low	43.4	Very low	123 Å²	123	130.5 Å²	130.5	75%	0.745	70%	0.697	S	S	*	*			trans	-134.1	130.2	146.7	-176.4	0	0	0	0	107.7	V239	V237-V239 VanDerWaalsContact C-N 3.34Å; V237-V239 HydrophobicContact CB-CG2 4.27Å; V237-V239 HydrophobicContact CG1-CG2 3.77Å; V237-V239 PolarHBondContact O-N 2.97Å; V237-V239 VanDerWaalsContact O-N 3.13Å
238	V	32.2	Very low	44.4	Very low	149 Å²	149	127.5 Å²	127.5	90%	0.903	69%	0.69	S	S	*	*			trans	-81.9	86.7	169.4	-178.4	0	0	0	0	107.5
239	V	35.3	Very low	46	Very low	101 Å²	101	116.8 Å²	116.8	61%	0.612	65%	0.65	S	S	*	*			trans	-82.9	120.9	167.5	-177.7	0	0	0	0	107.5	V237 S241	V237-V239 VanDerWaalsContact C-N 3.34Å; V237-V239 HydrophobicContact CB-CG2 4.27Å; V237-V239 HydrophobicContact CG1-CG2 3.77Å; V237-V239 PolarHBondContact O-N 2.97Å; V237-V239 VanDerWaalsContact O-N 3.13Å; V239-S241 PolarHBondContact O-N 3.35Å; V239-S241 PolarHBondContact O-OG 3.37Å
240	E	31.2	Very low	47.4	Very low	184 Å²	184	111 Å²	111	86%	0.86	62%	0.623	S	S	*	*			trans	-59.8	100.3	173.6	-172.8	166.3	-142.1	0	0	108.7	Q242	E240-Q242 PolarHBondContact O-N 2.74Å
241	S	35.6	Very low	49.6	Very low	99 Å²	99	112.5 Å²	112.5	69%	0.692	62%	0.621	S	S	*	*			trans	-75.9	102.6	-167.4	-66.5	0	0	0	0	109.4	V239 V243	V239-S241 PolarHBondContact O-N 3.35Å; V239-S241 PolarHBondContact O-OG 3.37Å; S241-V243 VanDerWaalsContact C-N 3.29Å; S241-V243 PolarHBondContact O-N 2.81Å
242	Q	40.4	Very low	51.4	Low	186 Å²	186	103.1 Å²	103.1	87%	0.869	59%	0.585	S	S	*	*			trans	-58.1	95.2	166	-68	-175.1	-8.2	0	0	108.3	E240 P244	E240-Q242 PolarHBondContact O-N 2.74Å; Q242-P244 VanDerWaalsContact O-CD 3.32Å; Q242-P244 WeakPolarHBondContact O-CD 3.33Å; Q242-P244 VanDerWaalsContact O-N 3.09Å
243	V	44.7	Very low	53.3	Low	109 Å²	109	92.1 Å²	92.1	66%	0.661	55%	0.545	S	S	*	.			trans	-59.4	115.8	178.7	-178.8	0	0	0	0	107	S241 N245 I536	S241-V243 VanDerWaalsContact C-N 3.29Å; S241-V243 PolarHBondContact O-N 2.81Å; V243-N245 PolarHBondContact O-N 3.16Å; V243-I536 HydrophobicContact CG1-CD1 4.06Å
244	P	52.4	Low	55.2	Low	47 Å²	47	92 Å²	92	31%	0.305	52%	0.518	S	S	.	.			trans	-71.8	98.3	-170.5	29.1	-34.8	0	0	0	108.4	P224 I225 Q242 F246 I536	P224-P244 VanDerWaalsContact O-CB 3.28Å; P224-P244 WeakPolarHBondContact O-CB 3.35Å; I225-P244 HydrophobicContact CG1-CB 4.09Å; Q242-P244 VanDerWaalsContact O-CD 3.32Å; Q242-P244 WeakPolarHBondContact O-CD 3.33Å; Q242-P244 VanDerWaalsContact O-N 3.09Å; P244-F246 PolarHBondContact O-N 2.93Å; P244-I536 WeakPolarHBondContact O-CD1 3.43Å
245	N	65.8	Low	56.9	Low	92 Å²	92	90.7 Å²	90.7	49%	0.492	50%	0.495	S	S	.	.			trans	-65.8	127	-170.1	-177.1	0.8	0	0	0	109.7	V243 T247 A248 E249	V243-N245 PolarHBondContact O-N 3.16Å; N245-T247 PolarHBondContact ND2-OG1 3.3Å; N245-T247 PolarHBondContact O-N 3.11Å; N245-T247 VanDerWaalsContact O-N 3.08Å; N245-T247 PolarHBondContact OD1-N 3.43Å; N245-T247 PolarHBondContact OD1-OG1 3.16Å; N245-A248 WeakPolarHBondContact O-CA 3.26Å; N245-A248 VanDerWaalsContact O-CB 3.31Å; N245-A248 WeakPolarHBondContact O-CB 3.41Å; N245-A248 PolarHBondContact O-N 2.97Å; N245-E249 PolarHBondContact O-N 2.97Å
246	F	73.7	Confident	58.6	Low	6 Å²	6	83 Å²	83	3%	0.026	47%	0.47	C	S	.	.	H	α-helix	trans	-56.7	-25.4	175.9	-173.2	-108	0	0	0	113	I225 P244 A248 E249 I250 F333 L385 E388 Y539	I225-F246 HydrophobicContact CD1-CD2 4.43Å; P244-F246 PolarHBondContact O-N 2.93Å; F246-A248 VanDerWaalsContact C-N 3.31Å; F246-A248 PolarHBondContact O-N 3.26Å; F246-E249 HydrophobicContact CD2-CB 4.25Å; F246-E249 WeakPolarHBondContact O-CB 3.29Å; F246-E249 PolarHBondContact O-N 3.42Å; F246-I250 HydrophobicContact CD1-CD1 3.49Å; F246-I250 VanDerWaalsContact CD1-CD1 3.49Å; F246-I250 HydrophobicContact CD1-CG1 4.06Å; F246-I250 HydrophobicContact CE1-CD1 3.26Å; F246-I250 HydrophobicContact CE1-CG1 3.64Å; F246-I250 HydrophobicContact CG-CD1 4.46Å; F246-I250 HydrophobicContact CZ-CD1 4.03Å; F246-I250 HydrophobicContact CZ-CG1 3.87Å; F246-I250 WeakPolarHBondContact O-CG1 3.41Å; F246-I250 PolarHBondContact O-N 3.47Å; F246-F333 HydrophobicContact CE2-CE2 4.5Å; F246-F333 HydrophobicContact CE2-CZ 4.47Å; F246-F333 HydrophobicContact CZ-CE2 4.12Å; F246-F333 AromaticContact CZ-CZ 3.92Å; F246-F333 HydrophobicContact CZ-CZ 3.92Å; F246-L385 HydrophobicContact CD1-CD2 3.62Å; F246-L385 HydrophobicContact CD2-CD2 4.44Å; F246-L385 HydrophobicContact CE1-CB 4.34Å; F246-L385 HydrophobicContact CE1-CD2 3.22Å; F246-L385 HydrophobicContact CE1-CG 4.36Å; F246-L385 HydrophobicContact CE2-CD2 4.17Å; F246-L385 HydrophobicContact CG-CD2 4.21Å; F246-L385 HydrophobicContact CZ-CB 4.15Å; F246-L385 HydrophobicContact CZ-CD2 3.56Å; F246-L385 HydrophobicContact CZ-CG 4.4Å; F246-E388 VanDerWaalsContact CE1-OE2 3.31Å; F246-E388 WeakPolarHBondContact CE1-OE2 3.25Å; F246-Y539 HydrophobicContact CD2-CD1 4.43Å; F246-Y539 HydrophobicContact CD2-CD2 4.45Å; F246-Y539 HydrophobicContact CD2-CG 4.18Å; F246-Y539 HydrophobicContact CE2-CD1 4.26Å; F246-Y539 AromaticContact CE2-CD2 3.57Å; F246-Y539 HydrophobicContact CE2-CD2 3.57Å; F246-Y539 AromaticContact CE2-CE2 3.95Å; F246-Y539 HydrophobicContact CE2-CE2 3.95Å; F246-Y539 AromaticContact CE2-CG 3.73Å; F246-Y539 HydrophobicContact CE2-CG 3.73Å; F246-Y539 HydrophobicContact CZ-CD2 4.34Å
247	T	76.1	Confident	60	Low	82 Å²	82	79.9 Å²	79.9	50%	0.503	44%	0.435	S	S	.	.	H	α-helix	trans	-61.2	-36.8	169.6	-50.2	0	0	0	0	112.9	N245 F251	N245-T247 PolarHBondContact ND2-OG1 3.3Å; N245-T247 PolarHBondContact O-N 3.11Å; N245-T247 VanDerWaalsContact O-N 3.08Å; N245-T247 PolarHBondContact OD1-N 3.43Å; N245-T247 PolarHBondContact OD1-OG1 3.16Å; T247-F251 WeakPolarHBondContact O-CB 3.17Å; T247-F251 PolarHBondContact O-N 2.89Å
248	A	76	Confident	61.1	Low	39 Å²	39	77.3 Å²	77.3	32%	0.322	42%	0.422	S	S	.	.	H	α-helix	trans	-72.6	-34.2	176	0	0	0	0	0	111.6	P224 N245 F246 F251 W252	P224-A248 HydrophobicContact CB-CB 4.19Å; P224-A248 HydrophobicContact CG-CB 3.98Å; N245-A248 WeakPolarHBondContact O-CA 3.26Å; N245-A248 VanDerWaalsContact O-CB 3.31Å; N245-A248 WeakPolarHBondContact O-CB 3.41Å; N245-A248 PolarHBondContact O-N 2.97Å; F246-A248 VanDerWaalsContact C-N 3.31Å; F246-A248 PolarHBondContact O-N 3.26Å; A248-F251 PolarHBondContact O-N 3.06Å; A248-W252 WeakPolarHBondContact O-CB 3.22Å; A248-W252 PolarHBondContact O-N 3.3Å
249	E	78.6	Confident	62.1	Low	0 Å²	0	74.9 Å²	74.9	0%	0	40%	0.404	C	S	.	.	H	α-helix	trans	-64.7	-47.4	172.3	-173.1	72.7	172.7	0	0	111.7	S223 P224 I225 H227 N245 F246 F251 W252 L253 Y539	S223-E249 VanDerWaalsContact OG-CD 3.31Å; S223-E249 PolarHBondContact OG-OE1 3.49Å; S223-E249 VanDerWaalsContact OG-OE1 3.13Å; S223-E249 PolarHBondContact OG-OE2 3.2Å; P224-E249 WeakPolarHBondContact CD-OE2 3.39Å; I225-E249 HydrophobicContact CD1-CB 3.66Å; I225-E249 HydrophobicContact CD1-CG 3.75Å; I225-E249 HydrophobicContact CG1-CB 4.11Å; I225-E249 HydrophobicContact CG1-CG 4.25Å; H227-E249 IonicContact NE2-OE1 2.68Å; N245-E249 PolarHBondContact O-N 2.97Å; F246-E249 HydrophobicContact CD2-CB 4.25Å; F246-E249 WeakPolarHBondContact O-CB 3.29Å; F246-E249 PolarHBondContact O-N 3.42Å; E249-F251 VanDerWaalsContact C-N 3.27Å; E249-F251 PolarHBondContact O-N 3.32Å; E249-W252 WeakPolarHBondContact O-CB 3.5Å; E249-W252 PolarHBondContact O-N 3.3Å; E249-L253 HydrophobicContact CG-CD1 4.28Å; E249-L253 WeakPolarHBondContact O-CB 3.42Å; E249-L253 WeakPolarHBondContact O-CG 3.48Å; E249-L253 PolarHBondContact O-N 2.88Å; E249-Y539 HydrophobicContact CG-CE1 3.69Å; E249-Y539 WeakPolarHBondContact CG-OH 3.38Å; E249-Y539 WeakPolarHBondContact OE1-CE1 3.18Å; E249-Y539 PolarHBondContact OE1-OH 3.49Å
250	I	76.7	Confident	63.1	Low	17 Å²	17	74.3 Å²	74.3	9%	0.087	40%	0.395	C	S	.	.	H	α-helix	trans	-59.5	-41	173.4	-66.8	157.8	0	0	0	110.8	F246 K254 E388	F246-I250 HydrophobicContact CD1-CD1 3.49Å; F246-I250 VanDerWaalsContact CD1-CD1 3.49Å; F246-I250 HydrophobicContact CD1-CG1 4.06Å; F246-I250 HydrophobicContact CE1-CD1 3.26Å; F246-I250 HydrophobicContact CE1-CG1 3.64Å; F246-I250 HydrophobicContact CG-CD1 4.46Å; F246-I250 HydrophobicContact CZ-CD1 4.03Å; F246-I250 HydrophobicContact CZ-CG1 3.87Å; F246-I250 WeakPolarHBondContact O-CG1 3.41Å; F246-I250 PolarHBondContact O-N 3.47Å; I250-K254 WeakPolarHBondContact O-CB 3.37Å; I250-K254 PolarHBondContact O-N 3.24Å; I250-E388 HydrophobicContact CD1-CB 4.33Å; I250-E388 HydrophobicContact CD1-CG 3.53Å
251	F	79.2	Confident	64.2	Low	145 Å²	145	66.8 Å²	66.8	64%	0.636	36%	0.358	S	S	*	.	H	α-helix	trans	-63.9	-41.5	177.1	-178.5	-91.7	0	0	0	112	T247 A248 E249 K254 T255	T247-F251 WeakPolarHBondContact O-CB 3.17Å; T247-F251 PolarHBondContact O-N 2.89Å; A248-F251 PolarHBondContact O-N 3.06Å; E249-F251 VanDerWaalsContact C-N 3.27Å; E249-F251 PolarHBondContact O-N 3.32Å; F251-K254 PolarHBondContact O-N 2.7Å; F251-T255 WeakPolarHBondContact O-CB 3.49Å; F251-T255 PolarHBondContact O-N 3.48Å; F251-T255 PolarHBondContact O-OG1 2.92Å
252	W	76.1	Confident	65	Low	44 Å²	44	66.8 Å²	66.8	17%	0.167	36%	0.358	C	S	.	.	H	α-helix	trans	-62.3	-52.7	175.8	179.7	78.5	0	0	0	111.7	P221 V222 S223 P224 A248 E249 K254 T255 Q256	P221-W252 PolarHBondContact O-NE1 3.35Å; V222-W252 PolarHBondContact O-NE1 3.42Å; S223-W252 VanDerWaalsContact N-CE2 3.32Å; P224-W252 HydrophobicContact CG-CB 4.39Å; A248-W252 WeakPolarHBondContact O-CB 3.22Å; A248-W252 PolarHBondContact O-N 3.3Å; E249-W252 WeakPolarHBondContact O-CB 3.5Å; E249-W252 PolarHBondContact O-N 3.3Å; W252-K254 PolarHBondContact O-N 3.25Å; W252-T255 WeakPolarHBondContact O-CB 3.18Å; W252-T255 PolarHBondContact O-N 3.11Å; W252-T255 VanDerWaalsContact O-N 3.07Å; W252-Q256 PolarHBondContact O-N 3.29Å; W252-Q256 VanDerWaalsContact O-N 3.13Å
253	L	74.7	Confident	65.3	Low	11 Å²	11	62.3 Å²	62.3	6%	0.058	34%	0.339	C	S	.	.	H	α-helix	trans	-55	-50.7	173.8	-69.5	169.3	0	0	0	110.6	E249 T255 Q256 L257 F333 Y389	E249-L253 HydrophobicContact CG-CD1 4.28Å; E249-L253 WeakPolarHBondContact O-CB 3.42Å; E249-L253 WeakPolarHBondContact O-CG 3.48Å; E249-L253 PolarHBondContact O-N 2.88Å; L253-T255 PolarHBondContact O-N 2.97Å; L253-Q256 PolarHBondContact O-N 2.8Å; L253-L257 HydrophobicContact CB-CD1 4.24Å; L253-L257 WeakPolarHBondContact O-CB 3.32Å; L253-L257 WeakPolarHBondContact O-CD1 3.37Å; L253-L257 WeakPolarHBondContact O-CG 3.38Å; L253-L257 PolarHBondContact O-N 2.8Å; L253-F333 HydrophobicContact CD1-CD2 3.92Å; L253-F333 HydrophobicContact CD1-CE2 4.06Å; L253-Y389 HydrophobicContact CB-CD2 4.39Å; L253-Y389 HydrophobicContact CB-CE2 4.07Å; L253-Y389 HydrophobicContact CD1-CD2 3.9Å; L253-Y389 HydrophobicContact CD1-CE2 4.04Å
254	K	72.5	Confident	65.5	Low	87 Å²	87	63.2 Å²	63.2	38%	0.378	33%	0.334	S	S	.	.	H	α-helix	trans	-57.8	-32.3	178	176.8	168	178.8	163.9	0	112.8	I250 F251 W252 S258 S392 L393	I250-K254 WeakPolarHBondContact O-CB 3.37Å; I250-K254 PolarHBondContact O-N 3.24Å; F251-K254 PolarHBondContact O-N 2.7Å; W252-K254 PolarHBondContact O-N 3.25Å; K254-S258 WeakPolarHBondContact O-CB 3.01Å; K254-S258 PolarHBondContact O-N 3.27Å; K254-S392 WeakPolarHBondContact CD-O 3.47Å; K254-S392 VanDerWaalsContact CE-O 3.31Å; K254-S392 WeakPolarHBondContact CE-O 3.49Å; K254-S392 PolarHBondContact NZ-O 2.88Å; K254-L393 HydrophobicContact CB-CD2 4.28Å; K254-L393 HydrophobicContact CG-CD2 4.16Å
255	T	71.5	Confident	65.3	Low	52 Å²	52	69 Å²	69	32%	0.319	35%	0.35	S	S	.	.	H	α-helix	trans	-68.2	-54.1	176.2	-56.4	0	0	0	0	110.3	F251 W252 L253 L257 S258 D259	F251-T255 WeakPolarHBondContact O-CB 3.49Å; F251-T255 PolarHBondContact O-N 3.48Å; F251-T255 PolarHBondContact O-OG1 2.92Å; W252-T255 WeakPolarHBondContact O-CB 3.18Å; W252-T255 PolarHBondContact O-N 3.11Å; W252-T255 VanDerWaalsContact O-N 3.07Å; L253-T255 PolarHBondContact O-N 2.97Å; T255-L257 PolarHBondContact O-N 2.94Å; T255-S258 WeakPolarHBondContact O-CB 3.23Å; T255-S258 PolarHBondContact O-N 2.97Å; T255-D259 PolarHBondContact O-N 3.27Å
256	Q	68.5	Low	64.4	Low	93 Å²	93	65.7 Å²	65.7	44%	0.435	33%	0.332	S	S	.	.	H	α-helix	trans	-54.9	-37.9	174.8	-63.6	-171	-41.1	0	0	112.3	W252 L253 H260	W252-Q256 PolarHBondContact O-N 3.29Å; W252-Q256 VanDerWaalsContact O-N 3.13Å; L253-Q256 PolarHBondContact O-N 2.8Å; Q256-H260 WeakPolarHBondContact O-CB 3.35Å; Q256-H260 PolarHBondContact O-N 3.22Å
257	L	62.2	Low	63.3	Low	11 Å²	11	69.1 Å²	69.1	6%	0.058	35%	0.347	C	S	.	.	H	α-helix	trans	-72.7	-36.5	178.9	-68	161.3	0	0	0	112.4	L253 T255 D259 H260 W261 A330 Y389 L393	L253-L257 HydrophobicContact CB-CD1 4.24Å; L253-L257 WeakPolarHBondContact O-CB 3.32Å; L253-L257 WeakPolarHBondContact O-CD1 3.37Å; L253-L257 WeakPolarHBondContact O-CG 3.38Å; L253-L257 PolarHBondContact O-N 2.8Å; T255-L257 PolarHBondContact O-N 2.94Å; L257-D259 PolarHBondContact O-N 3.22Å; L257-H260 PolarHBondContact O-N 3.47Å; L257-H260 VanDerWaalsContact O-N 3.16Å; L257-W261 WeakPolarHBondContact O-CB 3.32Å; L257-W261 PolarHBondContact O-N 2.97Å; L257-A330 WeakPolarHBondContact CD2-O 3.44Å; L257-Y389 HydrophobicContact CD1-CE2 3.49Å; L257-Y389 VanDerWaalsContact CD1-CE2 3.49Å; L257-Y389 WeakPolarHBondContact CD1-OH 3.18Å; L257-L393 HydrophobicContact CB-CD2 3.92Å; L257-L393 HydrophobicContact CD1-CD1 3.83Å; L257-L393 HydrophobicContact CD1-CD2 3.69Å; L257-L393 HydrophobicContact CD1-CG 4.36Å; L257-L393 HydrophobicContact CG-CD2 4.41Å
258	S	59.4	Low	62.6	Low	70 Å²	70	70.8 Å²	70.8	49%	0.49	35%	0.349	S	S	.	.	H	α-helix	trans	-59.8	-39.1	175.4	-167.1	0	0	0	0	111.1	K254 T255 S262	K254-S258 WeakPolarHBondContact O-CB 3.01Å; K254-S258 PolarHBondContact O-N 3.27Å; T255-S258 WeakPolarHBondContact O-CB 3.23Å; T255-S258 PolarHBondContact O-N 2.97Å; S258-S262 PolarHBondContact O-N 3.23Å; S258-S262 PolarHBondContact O-OG 2.83Å
259	D	54	Low	62.7	Low	97 Å²	97	73 Å²	73	52%	0.519	36%	0.355	S	S	.	.	H	α-helix	trans	-66.7	-51.3	171.8	-59.4	-26.2	0	0	0	110.1	T255 L257 W261 S262 M263	T255-D259 PolarHBondContact O-N 3.27Å; L257-D259 PolarHBondContact O-N 3.22Å; D259-W261 VanDerWaalsContact C-N 3.31Å; D259-W261 PolarHBondContact O-N 2.93Å; D259-S262 CarbonylContact O-C 3.58Å; D259-S262 PolarHBondContact O-N 2.68Å; D259-M263 VanDerWaalsContact O-CB 3.31Å; D259-M263 WeakPolarHBondContact O-CB 3.49Å; D259-M263 WeakPolarHBondContact O-CG 3.41Å; D259-M263 PolarHBondContact O-N 3.36Å
260	H	55.7	Low	63.2	Low	89 Å²	89	76.5 Å²	76.5	41%	0.412	38%	0.377	S	S	.	.	H	α-helix	trans	-63.5	-29.6	-177.3	-150	-119.7	0	0	0	114.5	Q256 L257 S262 Q329	Q256-H260 WeakPolarHBondContact O-CB 3.35Å; Q256-H260 PolarHBondContact O-N 3.22Å; L257-H260 PolarHBondContact O-N 3.47Å; L257-H260 VanDerWaalsContact O-N 3.16Å; H260-S262 VanDerWaalsContact C-N 3.33Å; H260-Q329 PolarHBondContact CE1-O 3.06Å; H260-Q329 PolarHBondContact ND1-O 3.39Å
261	W	54.7	Low	64	Low	26 Å²	26	76.4 Å²	76.4	10%	0.098	38%	0.378	C	S	.	.	H	α-helix	trans	-72.9	-23.5	173.3	-89.6	93.2	0	0	0	113.4	L257 D259 R326 I327 A330 L395	L257-W261 WeakPolarHBondContact O-CB 3.32Å; L257-W261 PolarHBondContact O-N 2.97Å; D259-W261 VanDerWaalsContact C-N 3.31Å; D259-W261 PolarHBondContact O-N 2.93Å; W261-R326 HydrophobicContact CZ3-CG 4.21Å; W261-I327 HydrophobicContact CH2-CG1 4.14Å; W261-I327 HydrophobicContact CZ2-CG1 4.43Å; W261-A330 HydrophobicContact CD2-CB 4.22Å; W261-A330 HydrophobicContact CG-CB 4.38Å; W261-A330 HydrophobicContact CZ2-CB 3.96Å; W261-L395 HydrophobicContact CH2-CD2 4.25Å; W261-L395 HydrophobicContact CZ2-CD1 4.35Å; W261-L395 HydrophobicContact CZ2-CD2 4.03Å
262	S	52	Low	64.7	Low	99 Å²	99	72.2 Å²	72.2	69%	0.692	37%	0.366	S	S	*	.	H	α-helix	trans	-96.1	-25.5	180	-51.4	0	0	0	0	112.2	S258 D259 H260 K264	S258-S262 PolarHBondContact O-N 3.23Å; S258-S262 PolarHBondContact O-OG 2.83Å; D259-S262 CarbonylContact O-C 3.58Å; D259-S262 PolarHBondContact O-N 2.68Å; H260-S262 VanDerWaalsContact C-N 3.33Å; S262-K264 PolarHBondContact O-N 3.13Å
263	M	47.7	Very low	65.6	Low	93 Å²	93	71.7 Å²	71.7	46%	0.458	37%	0.367	S	S	.	.			trans	-65.6	116.1	179.6	-87.6	-70.2	-179	0	0	112.5	D259 W265	D259-M263 VanDerWaalsContact O-CB 3.31Å; D259-M263 WeakPolarHBondContact O-CB 3.49Å; D259-M263 WeakPolarHBondContact O-CG 3.41Å; D259-M263 PolarHBondContact O-N 3.36Å; M263-W265 PolarHBondContact O-N 3.26Å
264	K	47.4	Very low	66.6	Low	128 Å²	128	76.6 Å²	76.6	56%	0.557	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-69.8	11.6	-174.5	-142	-172.7	-175	-166.4	0	115.4	D18 E19 S262 L266	D18-K264 PolarHBondContact O-NZ 2.93Å; E19-K264 PolarHBondContact O-NZ 3.39Å; S262-K264 PolarHBondContact O-N 3.13Å; K264-L266 PolarHBondContact O-N 3.25Å; K264-L266 VanDerWaalsContact O-N 3.11Å
265	W	48	Very low	67.7	Low	168 Å²	168	75.4 Å²	75.4	64%	0.636	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-71.5	-0.8	-176.6	-65.4	83	0	0	0	114.7	M263 F267	M263-W265 PolarHBondContact O-N 3.26Å; W265-F267 VanDerWaalsContact C-N 3.26Å; W265-F267 PolarHBondContact O-N 2.66Å
266	L	47	Very low	69	Low	22 Å²	22	73.1 Å²	73.1	12%	0.115	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-62.7	-17.8	-165.7	-70.4	162.9	0	0	0	116.1	K264 K325 Q329	K264-L266 PolarHBondContact O-N 3.25Å; K264-L266 VanDerWaalsContact O-N 3.11Å; L266-K325 PolarHBondContact O-NZ 3.49Å; L266-Q329 HydrophobicContact CD2-CB 4.09Å; L266-Q329 PolarHBondContact O-NE2 2.91Å; L266-Q329 PolarHBondContact O-OE1 3.32Å
267	F	51	Low	70.4	Confident	79 Å²	79	72.3 Å²	72.3	35%	0.346	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-105.3	-4.2	-165	-64.1	-77.6	0	0	0	116.7	E17 W265	E17-F267 HydrophobicContact CB-CE1 4.1Å; E17-F267 HydrophobicContact CB-CZ 3.79Å; E17-F267 HydrophobicContact CG-CE1 4.42Å; E17-F267 HydrophobicContact CG-CZ 4.1Å; W265-F267 VanDerWaalsContact C-N 3.26Å; W265-F267 PolarHBondContact O-N 2.66Å
268	Q	62.1	Low	72	Confident	116 Å²	116	78.6 Å²	78.6	54%	0.542	40%	0.398	S	S	.	.			trans	-68.9	138.2	179	-66.1	-179.5	-5.7	0	0	112	T270	Q268-T270 PolarHBondContact O-N 3.2Å
269	N	78.5	Confident	73.8	Confident	86 Å²	86	79.5 Å²	79.5	46%	0.46	40%	0.397	S	S	.	.			trans	-71	104.7	164.1	-84.2	-7.2	0	0	0	107.4	A271 F343 K344	N269-A271 PolarHBondContact O-N 2.86Å; N269-F343 HydrophobicContact CB-CB 3.86Å; N269-F343 WeakPolarHBondContact OD1-CA 3.42Å; N269-F343 WeakPolarHBondContact OD1-CB 3.41Å; N269-K344 PolarHBondContact ND2-O 2.91Å; N269-K344 PolarHBondContact OD1-N 2.81Å
270	T	89.1	Confident	75.7	Confident	73 Å²	73	79.4 Å²	79.4	45%	0.448	39%	0.391	S	S	.	.			trans	-81.7	-2.1	-175.9	57.6	0	0	0	0	114.2	Q268 F341 S342	Q268-T270 PolarHBondContact O-N 3.2Å; T270-F341 VanDerWaalsContact OG1-CA 3.29Å; T270-F341 WeakPolarHBondContact OG1-CA 3.33Å; T270-S342 PolarHBondContact N-O 2.94Å; T270-S342 VanDerWaalsContact N-O 3.1Å; T270-S342 PolarHBondContact OG1-N 2.93Å
271	A	93.1	Very high	77.6	Confident	15 Å²	15	77.5 Å²	77.5	12%	0.124	39%	0.386	C	S	.	.	S	Bend	trans	-160.3	179.3	168.5	0	0	0	0	0	109.1	N269 F276 F341 F343	N269-A271 PolarHBondContact O-N 2.86Å; A271-F276 HydrophobicContact CB-CE2 3.73Å; A271-F276 HydrophobicContact CB-CZ 4.05Å; A271-F341 HydrophobicContact CB-CB 4.12Å; A271-F341 HydrophobicContact CB-CD1 3.93Å; A271-F341 HydrophobicContact CB-CG 4.15Å; A271-F343 HydrophobicContact CB-CD1 4.01Å; A271-F343 HydrophobicContact CB-CE1 4.08Å; A271-F343 WeakPolarHBondContact O-CB 3.11Å; A271-F343 WeakPolarHBondContact O-CD1 3.37Å; A271-F343 VanDerWaalsContact O-CG 3.23Å; A271-F343 WeakPolarHBondContact O-CG 3.47Å
272	C	93.9	Very high	79.2	Confident	57 Å²	57	77.6 Å²	77.6	39%	0.385	39%	0.389	S	S	.	.			trans	-119.6	174.7	167.2	80.2	0	0	0	0	111.5	D274 D275 F276 F343	C272-D274 VanDerWaalsContact C-N 3.31Å; C272-D274 PolarHBondContact O-N 3.05Å; C272-D275 PolarHBondContact N-OD2 2.94Å; C272-D275 VanDerWaalsContact SG-CG 3.54Å; C272-D275 PolarHBondContact SG-OD2 2.87Å; C272-F276 VanDerWaalsContact O-CD2 3.26Å; C272-F276 WeakPolarHBondContact O-CD2 3.23Å; C272-F276 WeakPolarHBondContact O-CE2 3.36Å; C272-F343 WeakPolarHBondContact O-CZ 3.33Å
273	L	94.6	Very high	80.9	Confident	33 Å²	33	73.5 Å²	73.5	17%	0.173	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-68	-32.2	-179.1	-173.7	59.6	0	0	0	112.7	D275 F276 M304 F343 Y350	L273-D275 VanDerWaalsContact C-N 3.26Å; L273-D275 PolarHBondContact O-N 2.92Å; L273-F276 PolarHBondContact O-N 2.94Å; L273-M304 HydrophobicContact CD1-CE 4.21Å; L273-M304 HydrophobicContact CD1-SD 3.92Å; L273-F343 HydrophobicContact CB-CE2 4Å; L273-F343 HydrophobicContact CB-CZ 4.48Å; L273-F343 HydrophobicContact CD1-CE2 4.44Å; L273-F343 HydrophobicContact CD1-CZ 4.49Å; L273-Y350 HydrophobicContact CD1-CD1 4.17Å; L273-Y350 HydrophobicContact CD1-CE1 3.64Å; L273-Y350 HydrophobicContact CD2-CE1 4.43Å; L273-Y350 WeakPolarHBondContact CD2-OH 3.49Å
274	D	95.9	Very high	82.7	Confident	115 Å²	115	74.1 Å²	74.1	62%	0.615	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-78.6	-8.2	-175.4	-67.4	-46.5	0	0	0	113.4	C272 F276 K296	C272-D274 VanDerWaalsContact C-N 3.31Å; C272-D274 PolarHBondContact O-N 3.05Å; D274-F276 PolarHBondContact O-N 3.41Å; D274-K296 WeakPolarHBondContact O-CD 3.4Å; D274-K296 WeakPolarHBondContact O-CE 3.4Å; D274-K296 PolarHBondContact O-NZ 2.72Å
275	D	96.4	Very high	84.2	Confident	61 Å²	61	70.2 Å²	70.2	33%	0.326	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-72.1	-7.8	170.3	-59.6	-44.5	0	0	0	112.9	C272 L273 H295 K296	C272-D275 PolarHBondContact N-OD2 2.94Å; C272-D275 VanDerWaalsContact SG-CG 3.54Å; C272-D275 PolarHBondContact SG-OD2 2.87Å; L273-D275 VanDerWaalsContact C-N 3.26Å; L273-D275 PolarHBondContact O-N 2.92Å; D275-H295 PolarHBondContact O-CD2 2.98Å; D275-K296 WeakPolarHBondContact O-CB 3.47Å; D275-K296 WeakPolarHBondContact O-CG 3.36Å; D275-K296 PolarHBondContact O-N 3.45Å
276	F	97.9	Very high	85.5	Confident	5 Å²	5	64.8 Å²	64.8	2%	0.022	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	126.3	-171.2	-60.5	-86.1	0	0	0	113.7	A271 C272 L273 D274 V293 K294 H295 Y302 M304 F341 F343 V352	A271-F276 HydrophobicContact CB-CE2 3.73Å; A271-F276 HydrophobicContact CB-CZ 4.05Å; C272-F276 VanDerWaalsContact O-CD2 3.26Å; C272-F276 WeakPolarHBondContact O-CD2 3.23Å; C272-F276 WeakPolarHBondContact O-CE2 3.36Å; L273-F276 PolarHBondContact O-N 2.94Å; D274-F276 PolarHBondContact O-N 3.41Å; F276-V293 HydrophobicContact CB-CB 4.14Å; F276-V293 HydrophobicContact CB-CG2 4.32Å; F276-V293 HydrophobicContact CD1-CB 4.36Å; F276-V293 HydrophobicContact CD1-CG2 3.68Å; F276-V293 HydrophobicContact CE1-CG2 4.42Å; F276-V293 HydrophobicContact CG-CG2 4.26Å; F276-K294 CarbonylContact C-O 3.55Å; F276-K294 WeakPolarHBondContact CA-O 3.49Å; F276-H295 HydrophobicContact CD1-CB 4Å; F276-H295 HydrophobicContact CE1-CB 3.81Å; F276-H295 AromaticContact CE1-CD2 3.73Å; F276-H295 AromaticContact CZ-CD2 3.92Å; F276-Y302 HydrophobicContact CE1-CD2 4.32Å; F276-M304 HydrophobicContact CB-CE 3.88Å; F276-M304 HydrophobicContact CD1-CE 4.22Å; F276-M304 HydrophobicContact CD2-CE 3.6Å; F276-M304 HydrophobicContact CE2-CE 4.19Å; F276-M304 HydrophobicContact CG-CE 3.62Å; F276-F341 HydrophobicContact CE1-CD2 4.2Å; F276-F341 HydrophobicContact CE1-CE2 4.32Å; F276-F341 AromaticContact CZ-CD2 3.78Å; F276-F341 HydrophobicContact CZ-CD2 3.78Å; F276-F341 HydrophobicContact CZ-CE2 4.15Å; F276-F341 HydrophobicContact CZ-CG 4.18Å; F276-F343 HydrophobicContact CD2-CE1 4.33Å; F276-F343 HydrophobicContact CD2-CZ 4.25Å; F276-F343 AromaticContact CE2-CE1 3.72Å; F276-F343 HydrophobicContact CE2-CE1 3.72Å; F276-F343 HydrophobicContact CE2-CZ 4.09Å; F276-V352 HydrophobicContact CE1-CG1 3.93Å; F276-V352 HydrophobicContact CE2-CG2 4.45Å; F276-V352 HydrophobicContact CZ-CG1 4.17Å; F276-V352 HydrophobicContact CZ-CG2 4.15Å
277	D	97.8	Very high	87.1	Confident	76 Å²	76	65.2 Å²	65.2	41%	0.406	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	122.1	165	-69.2	-40.4	0	0	0	109.9	V293 K294 K296	D277-V293 CarbonylContact O-C 3.58Å; D277-V293 WeakPolarHBondContact O-CA 3.33Å; D277-V293 WeakPolarHBondContact O-CB 3.44Å; D277-K294 HydrophobicContact CB-CB 4.42Å; D277-K294 PolarHBondContact N-O 3.38Å; D277-K294 PolarHBondContact O-N 2.93Å; D277-K296 WeakPolarHBondContact OD1-CE 3.38Å; D277-K296 IonicContact OD1-NZ 3.84Å
278	R	96.4	Very high	88.9	Confident	143 Å²	143	62.8 Å²	62.8	54%	0.54	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	114.4	-176.2	-66	171.5	-68.1	-160.8	-5.8	110.3	M291 V293	R278-M291 HydrophobicContact CB-CE 3.97Å; R278-V293 HydrophobicContact CG-CG1 4.16Å
279	I	96.5	Very high	90.4	Very high	89 Å²	89	63.5 Å²	63.5	46%	0.456	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	-59.9	-166.9	-61.4	160.8	0	0	0	112.5	L292 K294 Y301	I279-L292 HydrophobicContact CB-CD2 4.43Å; I279-L292 HydrophobicContact CB-CG 4.32Å; I279-L292 WeakPolarHBondContact CB-O 3.44Å; I279-L292 HydrophobicContact CD1-CG 4.25Å; I279-L292 HydrophobicContact CG2-CD2 4.19Å; I279-L292 PolarHBondContact N-O 3.3Å; I279-K294 HydrophobicContact CD1-CB 3.85Å; I279-Y301 HydrophobicContact CD1-CD1 3.81Å; I279-Y301 HydrophobicContact CD1-CE1 3.59Å
280	K	94.7	Very high	91.1	Very high	94 Å²	94	60.9 Å²	60.9	41%	0.409	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	142.5	-173	-173.8	-170.3	167.9	-171	0	110.6	T45 L282 M291 L292	T45-K280 PolarHBondContact O-NZ 2.81Å; K280-L282 PolarHBondContact O-N 2.98Å; K280-M291 CarbonylContact O-C 3.56Å; K280-M291 WeakPolarHBondContact O-CA 3.34Å; K280-L292 PolarHBondContact N-O 3.08Å; K280-L292 PolarHBondContact O-N 3.42Å
281	T	94.4	Very high	91.5	Very high	50 Å²	50	58.7 Å²	58.7	31%	0.307	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	123.7	165.7	-60.1	0	0	0	0	110.1	G283 T284 R289 V290	T281-G283 WeakPolarHBondContact CG2-O 3.35Å; T281-T284 HydrophobicContact CG2-CG2 4.17Å; T281-R289 HydrophobicContact CG2-CB 4.13Å; T281-V290 CarbonylContact C-O 3.6Å; T281-V290 WeakPolarHBondContact CA-O 3.25Å
282	L	89.7	Confident	91.7	Very high	27 Å²	27	59.2 Å²	59.2	14%	0.141	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	-34.2	177	-67	174.9	0	0	0	111.8	M44 K280 V290 L292 A303 F355	M44-L282 HydrophobicContact CE-CD2 4.4Å; K280-L282 PolarHBondContact O-N 2.98Å; L282-V290 HydrophobicContact CB-CG1 4.35Å; L282-V290 HydrophobicContact CD1-CG1 4.32Å; L282-V290 PolarHBondContact N-O 3.48Å; L282-L292 HydrophobicContact CD1-CB 4.03Å; L282-L292 HydrophobicContact CD2-CB 4.04Å; L282-L292 HydrophobicContact CG-CB 3.94Å; L282-A303 HydrophobicContact CD1-CB 4.26Å; L282-F355 HydrophobicContact CD1-CD2 3.87Å; L282-F355 HydrophobicContact CD1-CE2 3.71Å; L282-F355 HydrophobicContact CD2-CE2 4.11Å
283	G	86.5	Confident	91.8	Very high	14 Å²	14	56.5 Å²	56.5	14%	0.144	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170	172.9	177.9	0	0	0	0	0	112.7	T281 R289 V290	T281-G283 WeakPolarHBondContact CG2-O 3.35Å; G283-R289 WeakPolarHBondContact O-CA 3.35Å; G283-V290 PolarHBondContact N-O 2.8Å; G283-V290 PolarHBondContact O-N 3.24Å
284	T	86.6	Confident	92	Very high	106 Å²	106	58.4 Å²	58.4	65%	0.65	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.2	130.3	-177.6	52.3	0	0	0	0	111	T281 R289	T281-T284 HydrophobicContact CG2-CG2 4.17Å; T284-R289 HydrophobicContact CG2-CB 4.2Å
285	G	77.8	Confident	92.1	Very high	46 Å²	46	53.5 Å²	53.5	47%	0.474	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	179.8	176.4	0	0	0	0	0	112.4	F287 G288	G285-F287 PolarHBondContact O-N 2.8Å; G285-G288 PolarHBondContact N-O 2.81Å; G285-G288 PolarHBondContact O-N 3.28Å
286	S	76.2	Confident	92.1	Very high	54 Å²	54	55.9 Å²	55.9	38%	0.378	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-32.4	176.8	38.8	0	0	0	0	114.1
287	F	81	Confident	92	Very high	31 Å²	31	64.1 Å²	64.1	14%	0.136	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-10	-173.2	-41.9	-57.9	0	0	0	113.6	G285 L307 D308 V312 L315 Q317	G285-F287 PolarHBondContact O-N 2.8Å; F287-L307 HydrophobicContact CB-CB 4.24Å; F287-L307 HydrophobicContact CB-CD2 4.23Å; F287-L307 HydrophobicContact CD2-CD2 4.23Å; F287-D308 WeakPolarHBondContact O-CB 3.5Å; F287-D308 PolarHBondContact O-N 3.34Å; F287-V312 HydrophobicContact CB-CG2 3.99Å; F287-V312 HydrophobicContact CD1-CG2 4.28Å; F287-V312 HydrophobicContact CG-CG2 4.13Å; F287-L315 HydrophobicContact CD1-CD1 3.8Å; F287-L315 HydrophobicContact CE1-CB 4.04Å; F287-L315 HydrophobicContact CE1-CD1 3.59Å; F287-L315 HydrophobicContact CE1-CG 4.46Å; F287-Q317 HydrophobicContact CE1-CB 3.99Å; F287-Q317 HydrophobicContact CE1-CG 3.65Å; F287-Q317 HydrophobicContact CZ-CB 3.99Å; F287-Q317 HydrophobicContact CZ-CG 3.61Å
288	G	87.7	Confident	91.9	Very high	27 Å²	27	63.2 Å²	63.2	28%	0.278	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	160.4	-137.4	-171.6	0	0	0	0	0	113.5	G285 I306	G285-G288 PolarHBondContact N-O 2.81Å; G285-G288 PolarHBondContact O-N 3.28Å; G288-I306 WeakPolarHBondContact CA-O 3.34Å
289	R	93.4	Very high	91.9	Very high	131 Å²	131	57.8 Å²	57.8	49%	0.494	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	152.9	-170.9	72.9	-177.5	84.3	-175.4	8.5	112.8	T281 G283 T284 M291 I306	T281-R289 HydrophobicContact CG2-CB 4.13Å; G283-R289 WeakPolarHBondContact O-CA 3.35Å; T284-R289 HydrophobicContact CG2-CB 4.2Å; R289-M291 HydrophobicContact CG-CG 3.98Å; R289-M291 HydrophobicContact CG-SD 4.39Å; R289-I306 HydrophobicContact CG-CB 4.48Å; R289-I306 HydrophobicContact CG-CD1 4.27Å; R289-I306 PolarHBondContact N-O 3.32Å; R289-I306 WeakPolarHBondContact O-CB 3.45Å; R289-I306 PolarHBondContact O-N 2.85Å
290	V	94.4	Very high	91.9	Very high	32 Å²	32	57.6 Å²	57.6	19%	0.194	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	130.6	168.1	-174.1	0	0	0	0	108.4	T281 L282 G283 A303 M304 K305	T281-V290 CarbonylContact C-O 3.6Å; T281-V290 WeakPolarHBondContact CA-O 3.25Å; L282-V290 HydrophobicContact CB-CG1 4.35Å; L282-V290 HydrophobicContact CD1-CG1 4.32Å; L282-V290 PolarHBondContact N-O 3.48Å; G283-V290 PolarHBondContact N-O 2.8Å; G283-V290 PolarHBondContact O-N 3.24Å; V290-A303 HydrophobicContact CG1-CB 4.05Å; V290-M304 CarbonylContact C-O 3.53Å; V290-M304 WeakPolarHBondContact CA-O 3.14Å; V290-K305 HydrophobicContact CG2-CB 4.28Å; V290-K305 HydrophobicContact CG2-CG 4.25Å
291	M	96	Very high	92	Very high	26 Å²	26	59 Å²	59	13%	0.128	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	137.2	177.6	-62.7	-166.7	66.2	0	0	111.6	R278 K280 R289 V293 M304 I306	R278-M291 HydrophobicContact CB-CE 3.97Å; K280-M291 CarbonylContact O-C 3.56Å; K280-M291 WeakPolarHBondContact O-CA 3.34Å; R289-M291 HydrophobicContact CG-CG 3.98Å; R289-M291 HydrophobicContact CG-SD 4.39Å; M291-V293 HydrophobicContact CB-CG1 4.15Å; M291-V293 PolarHBondContact O-N 3.35Å; M291-M304 PolarHBondContact N-O 2.71Å; M291-M304 PolarHBondContact O-N 3.05Å; M291-I306 HydrophobicContact CG-CD1 4.07Å; M291-I306 HydrophobicContact SD-CD1 3.82Å
292	L	97	Very high	92.1	Very high	26 Å²	26	57.6 Å²	57.6	14%	0.136	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	122	158.9	179.1	63.4	0	0	0	107.4	I279 K280 L282 Y301 F355	I279-L292 HydrophobicContact CB-CD2 4.43Å; I279-L292 HydrophobicContact CB-CG 4.32Å; I279-L292 WeakPolarHBondContact CB-O 3.44Å; I279-L292 HydrophobicContact CD1-CG 4.25Å; I279-L292 HydrophobicContact CG2-CD2 4.19Å; I279-L292 PolarHBondContact N-O 3.3Å; K280-L292 PolarHBondContact N-O 3.08Å; K280-L292 PolarHBondContact O-N 3.42Å; L282-L292 HydrophobicContact CD1-CB 4.03Å; L282-L292 HydrophobicContact CD2-CB 4.04Å; L282-L292 HydrophobicContact CG-CB 3.94Å; L292-Y301 HydrophobicContact CD1-CD1 4.19Å; L292-F355 HydrophobicContact CD1-CB 4.43Å; L292-F355 HydrophobicContact CD1-CD1 3.92Å; L292-F355 HydrophobicContact CD1-CD2 3.8Å; L292-F355 HydrophobicContact CD1-CE1 4.12Å; L292-F355 HydrophobicContact CD1-CE2 4.01Å; L292-F355 HydrophobicContact CD1-CG 3.76Å; L292-F355 HydrophobicContact CD1-CZ 4.17Å
293	V	97.9	Very high	92.4	Very high	0 Å²	0	57 Å²	57	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	158.9	174.9	-55.6	0	0	0	0	110	F276 D277 R278 M291 Y301 Y302 M304	F276-V293 HydrophobicContact CB-CB 4.14Å; F276-V293 HydrophobicContact CB-CG2 4.32Å; F276-V293 HydrophobicContact CD1-CB 4.36Å; F276-V293 HydrophobicContact CD1-CG2 3.68Å; F276-V293 HydrophobicContact CE1-CG2 4.42Å; F276-V293 HydrophobicContact CG-CG2 4.26Å; D277-V293 CarbonylContact O-C 3.58Å; D277-V293 WeakPolarHBondContact O-CA 3.33Å; D277-V293 WeakPolarHBondContact O-CB 3.44Å; R278-V293 HydrophobicContact CG-CG1 4.16Å; M291-V293 HydrophobicContact CB-CG1 4.15Å; M291-V293 PolarHBondContact O-N 3.35Å; V293-Y301 CarbonylContact O-C 3.57Å; V293-Y301 VanDerWaalsContact O-CA 3.32Å; V293-Y301 WeakPolarHBondContact O-CA 3.46Å; V293-Y302 PolarHBondContact N-O 3.25Å; V293-Y302 PolarHBondContact O-N 2.93Å; V293-M304 HydrophobicContact CG1-CB 3.78Å; V293-M304 HydrophobicContact CG1-CE 4.11Å; V293-M304 HydrophobicContact CG1-SD 4.08Å; V293-M304 HydrophobicContact CG2-CB 4.04Å; V293-M304 HydrophobicContact CG2-CE 4.2Å
294	K	98.1	Very high	92.9	Very high	73 Å²	73	56.3 Å²	56.3	32%	0.317	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	126.1	169.2	179.2	-176.6	176.6	-171.4	0	108.8	F276 D277 I279 K296 G299 N300 Y301	F276-K294 CarbonylContact C-O 3.55Å; F276-K294 WeakPolarHBondContact CA-O 3.49Å; D277-K294 HydrophobicContact CB-CB 4.42Å; D277-K294 PolarHBondContact N-O 3.38Å; D277-K294 PolarHBondContact O-N 2.93Å; I279-K294 HydrophobicContact CD1-CB 3.85Å; K294-K296 PolarHBondContact O-N 2.82Å; K294-G299 VanDerWaalsContact CE-O 3.3Å; K294-G299 WeakPolarHBondContact CE-O 3.36Å; K294-G299 WeakPolarHBondContact CG-O 3.19Å; K294-N300 CarbonylContact C-O 3.55Å; K294-N300 WeakPolarHBondContact CA-O 2.94Å; K294-Y301 HydrophobicContact CB-CD1 3.99Å; K294-Y301 HydrophobicContact CB-CE1 3.96Å; K294-Y301 HydrophobicContact CD-CE1 4.16Å; K294-Y301 HydrophobicContact CG-CD1 4.43Å; K294-Y301 HydrophobicContact CG-CE1 4.22Å
295	H	97.7	Very high	93.3	Very high	13 Å²	13	52.8 Å²	52.8	6%	0.06	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	124.6	173.2	-178	-128.2	0	0	0	109.2	D275 F276 Q297 S298 G299 N300 Y302	D275-H295 PolarHBondContact O-CD2 2.98Å; F276-H295 HydrophobicContact CD1-CB 4Å; F276-H295 HydrophobicContact CE1-CB 3.81Å; F276-H295 AromaticContact CE1-CD2 3.73Å; F276-H295 AromaticContact CZ-CD2 3.92Å; H295-Q297 PolarHBondContact O-N 3.21Å; H295-S298 PolarHBondContact ND1-N 2.89Å; H295-S298 PolarHBondContact ND1-OG 3.12Å; H295-G299 VanDerWaalsContact O-CA 3.28Å; H295-G299 WeakPolarHBondContact O-CA 3.47Å; H295-G299 PolarHBondContact O-N 2.67Å; H295-N300 PolarHBondContact N-O 3.05Å; H295-Y302 HydrophobicContact CB-CD2 4.01Å; H295-Y302 HydrophobicContact CB-CE2 3.66Å
296	K	97.4	Very high	94.2	Very high	110 Å²	110	51.6 Å²	51.6	48%	0.478	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-41.4	-170.4	-72.9	172.7	179.1	172.3	0	112.7	D274 D275 D277 K294	D274-K296 WeakPolarHBondContact O-CD 3.4Å; D274-K296 WeakPolarHBondContact O-CE 3.4Å; D274-K296 PolarHBondContact O-NZ 2.72Å; D275-K296 WeakPolarHBondContact O-CB 3.47Å; D275-K296 WeakPolarHBondContact O-CG 3.36Å; D275-K296 PolarHBondContact O-N 3.45Å; D277-K296 WeakPolarHBondContact OD1-CE 3.38Å; D277-K296 IonicContact OD1-NZ 3.84Å; K294-K296 PolarHBondContact O-N 2.82Å
297	Q	95.5	Very high	95.1	Very high	179 Å²	179	49.2 Å²	49.2	84%	0.836	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75	-44	-174.4	-167.7	-169.1	33.7	0	0	113	H295	H295-Q297 PolarHBondContact O-N 3.21Å
298	S	95.3	Very high	95.8	Very high	57 Å²	57	49.3 Å²	49.3	40%	0.399	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-13.9	-178.1	64.4	0	0	0	0	114.1	H295 N300	H295-S298 PolarHBondContact ND1-N 2.89Å; H295-S298 PolarHBondContact ND1-OG 3.12Å; S298-N300 PolarHBondContact O-N 2.88Å
299	G	96	Very high	96.1	Very high	28 Å²	28	51 Å²	51	29%	0.289	25%	0.247	S	C	.	.			trans	73.7	-4	-176.3	0	0	0	0	0	115.4	K294 H295	K294-G299 VanDerWaalsContact CE-O 3.3Å; K294-G299 WeakPolarHBondContact CE-O 3.36Å; K294-G299 WeakPolarHBondContact CG-O 3.19Å; H295-G299 VanDerWaalsContact O-CA 3.28Å; H295-G299 WeakPolarHBondContact O-CA 3.47Å; H295-G299 PolarHBondContact O-N 2.67Å
300	N	96.3	Very high	96.2	Very high	86 Å²	86	52.3 Å²	52.3	46%	0.46	26%	0.258	S	S	.	.			trans	-70.3	151	-178.1	-70.8	-14.7	0	0	0	112.7	K294 H295 S298 Y302	K294-N300 CarbonylContact C-O 3.55Å; K294-N300 WeakPolarHBondContact CA-O 2.94Å; H295-N300 PolarHBondContact N-O 3.05Å; S298-N300 PolarHBondContact O-N 2.88Å; N300-Y302 HydrophobicContact CB-CD2 4.36Å; N300-Y302 HydrophobicContact CB-CE2 3.48Å; N300-Y302 VanDerWaalsContact CB-CE2 3.48Å; N300-Y302 PolarHBondContact ND2-OH 3.12Å
301	Y	96.8	Very high	96.1	Very high	122 Å²	122	55.3 Å²	55.3	48%	0.478	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	140.4	175.9	-63.5	-84.9	0	0	0	111.8	I279 L292 V293 K294	I279-Y301 HydrophobicContact CD1-CD1 3.81Å; I279-Y301 HydrophobicContact CD1-CE1 3.59Å; L292-Y301 HydrophobicContact CD1-CD1 4.19Å; V293-Y301 CarbonylContact O-C 3.57Å; V293-Y301 VanDerWaalsContact O-CA 3.32Å; V293-Y301 WeakPolarHBondContact O-CA 3.46Å; K294-Y301 HydrophobicContact CB-CD1 3.99Å; K294-Y301 HydrophobicContact CB-CE1 3.96Å; K294-Y301 HydrophobicContact CD-CE1 4.16Å; K294-Y301 HydrophobicContact CG-CD1 4.43Å; K294-Y301 HydrophobicContact CG-CE1 4.22Å
302	Y	97.3	Very high	95.8	Very high	22 Å²	22	54.3 Å²	54.3	9%	0.086	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	158.8	-177	-63	-84.4	0	0	0	111.9	F276 V293 H295 N300 T340 F341 V352 L353	F276-Y302 HydrophobicContact CE1-CD2 4.32Å; V293-Y302 PolarHBondContact N-O 3.25Å; V293-Y302 PolarHBondContact O-N 2.93Å; H295-Y302 HydrophobicContact CB-CD2 4.01Å; H295-Y302 HydrophobicContact CB-CE2 3.66Å; N300-Y302 HydrophobicContact CB-CD2 4.36Å; N300-Y302 HydrophobicContact CB-CE2 3.48Å; N300-Y302 VanDerWaalsContact CB-CE2 3.48Å; N300-Y302 PolarHBondContact ND2-OH 3.12Å; Y302-T340 HydrophobicContact CE1-CG2 4.01Å; Y302-T340 WeakPolarHBondContact CE1-OG1 3.47Å; Y302-F341 HydrophobicContact CE1-CE2 4.31Å; Y302-F341 HydrophobicContact CE2-CE2 4.14Å; Y302-F341 AromaticContact CZ-CE2 3.94Å; Y302-V352 VanDerWaalsContact CB-CG1 3.45Å; Y302-V352 HydrophobicContact CD1-CG1 4.07Å; Y302-V352 HydrophobicContact CD2-CG1 4.41Å; Y302-V352 HydrophobicContact CG-CG1 3.74Å; Y302-L353 CarbonylContact C-O 3.58Å; Y302-L353 WeakPolarHBondContact CA-O 3.32Å; Y302-L353 WeakPolarHBondContact CB-O 3.24Å
303	A	96.5	Very high	95.5	Very high	13 Å²	13	56.4 Å²	56.4	11%	0.107	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	99.8	171.6	0	0	0	0	0	110	L282 V290 K305 L353	L282-A303 HydrophobicContact CD1-CB 4.26Å; V290-A303 HydrophobicContact CG1-CB 4.05Å; A303-K305 PolarHBondContact O-N 2.86Å; A303-L353 HydrophobicContact CB-CB 4.39Å; A303-L353 PolarHBondContact N-O 3.22Å; A303-L353 WeakPolarHBondContact O-CB 3.45Å; A303-L353 PolarHBondContact O-N 3.35Å
304	M	97.1	Very high	95.2	Very high	0 Å²	0	65 Å²	65	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	105.5	178.7	-176.8	-176.7	-77.6	0	0	110.5	L273 F276 V290 M291 V293 I306 F343 Y350 M351 V352	L273-M304 HydrophobicContact CD1-CE 4.21Å; L273-M304 HydrophobicContact CD1-SD 3.92Å; F276-M304 HydrophobicContact CB-CE 3.88Å; F276-M304 HydrophobicContact CD1-CE 4.22Å; F276-M304 HydrophobicContact CD2-CE 3.6Å; F276-M304 HydrophobicContact CE2-CE 4.19Å; F276-M304 HydrophobicContact CG-CE 3.62Å; V290-M304 CarbonylContact C-O 3.53Å; V290-M304 WeakPolarHBondContact CA-O 3.14Å; M291-M304 PolarHBondContact N-O 2.71Å; M291-M304 PolarHBondContact O-N 3.05Å; V293-M304 HydrophobicContact CG1-CB 3.78Å; V293-M304 HydrophobicContact CG1-CE 4.11Å; V293-M304 HydrophobicContact CG1-SD 4.08Å; V293-M304 HydrophobicContact CG2-CB 4.04Å; V293-M304 HydrophobicContact CG2-CE 4.2Å; M304-I306 HydrophobicContact CG-CD1 4.5Å; M304-I306 HydrophobicContact CG-CG1 3.88Å; M304-I306 PolarHBondContact O-N 3.19Å; M304-I306 HydrophobicContact SD-CD1 4.2Å; M304-I306 HydrophobicContact SD-CG1 4.12Å; M304-F343 HydrophobicContact CE-CE1 4.45Å; M304-F343 HydrophobicContact CE-CZ 3.93Å; M304-Y350 HydrophobicContact CG-CD1 4.09Å; M304-Y350 HydrophobicContact SD-CD1 3.73Å; M304-Y350 HydrophobicContact SD-CE1 4.23Å; M304-M351 CarbonylContact C-O 3.49Å; M304-M351 WeakPolarHBondContact CA-O 3.47Å; M304-V352 HydrophobicContact CE-CG2 3.96Å; M304-V352 HydrophobicContact CG-CG2 4.24Å
305	K	95.3	Very high	94.7	Very high	32 Å²	32	65.9 Å²	65.9	14%	0.139	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	108.6	170.4	-173.8	172.4	172.2	-178.9	0	108.1	V290 A303 L307 E324 M351 D417	V290-K305 HydrophobicContact CG2-CB 4.28Å; V290-K305 HydrophobicContact CG2-CG 4.25Å; A303-K305 PolarHBondContact O-N 2.86Å; K305-L307 HydrophobicContact CG-CD1 4.14Å; K305-L307 HydrophobicContact CG-CG 4.49Å; K305-E324 IonicContact NZ-OE1 2.8Å; K305-E324 PolarHBondContact NZ-OE1 3.44Å; K305-E324 IonicContact NZ-OE2 3.42Å; K305-E324 PolarHBondContact NZ-OE2 2.86Å; K305-M351 HydrophobicContact CB-CB 4.38Å; K305-M351 HydrophobicContact CD-CE 4.17Å; K305-M351 PolarHBondContact N-O 3.07Å; K305-M351 PolarHBondContact O-N 3.09Å; K305-D417 IonicContact NZ-OD1 2.66Å; K305-D417 PolarHBondContact NZ-OD1 2.79Å
306	I	95.8	Very high	94.2	Very high	22 Å²	22	73.2 Å²	73.2	11%	0.113	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	121.9	-179	-50	176.3	0	0	0	108.6	G288 R289 M291 M304 N348 Y350	G288-I306 WeakPolarHBondContact CA-O 3.34Å; R289-I306 HydrophobicContact CG-CB 4.48Å; R289-I306 HydrophobicContact CG-CD1 4.27Å; R289-I306 PolarHBondContact N-O 3.32Å; R289-I306 WeakPolarHBondContact O-CB 3.45Å; R289-I306 PolarHBondContact O-N 2.85Å; M291-I306 HydrophobicContact CG-CD1 4.07Å; M291-I306 HydrophobicContact SD-CD1 3.82Å; M304-I306 HydrophobicContact CG-CD1 4.5Å; M304-I306 HydrophobicContact CG-CG1 3.88Å; M304-I306 PolarHBondContact O-N 3.19Å; M304-I306 HydrophobicContact SD-CD1 4.2Å; M304-I306 HydrophobicContact SD-CG1 4.12Å; I306-N348 HydrophobicContact CG2-CB 4.1Å; I306-Y350 HydrophobicContact CB-CD1 4.38Å; I306-Y350 HydrophobicContact CB-CE1 4.32Å; I306-Y350 HydrophobicContact CD1-CE1 4.19Å; I306-Y350 HydrophobicContact CG1-CD1 3.9Å; I306-Y350 HydrophobicContact CG1-CE1 3.93Å; I306-Y350 HydrophobicContact CG2-CD1 4.11Å; I306-Y350 HydrophobicContact CG2-CE1 3.66Å
307	L	94.8	Very high	93.6	Very high	3 Å²	3	68.6 Å²	68.6	2%	0.016	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	124.2	-179.8	-48.2	93.2	0	0	0	111	F287 K305 K309 V312 T321 N348 L349 M351	F287-L307 HydrophobicContact CB-CB 4.24Å; F287-L307 HydrophobicContact CB-CD2 4.23Å; F287-L307 HydrophobicContact CD2-CD2 4.23Å; K305-L307 HydrophobicContact CG-CD1 4.14Å; K305-L307 HydrophobicContact CG-CG 4.49Å; L307-K309 PolarHBondContact O-N 2.77Å; L307-V312 HydrophobicContact CB-CG2 4.13Å; L307-T321 HydrophobicContact CD2-CG2 3.96Å; L307-N348 CarbonylContact O-C 3.59Å; L307-N348 VanDerWaalsContact O-CA 3.24Å; L307-N348 WeakPolarHBondContact O-CA 3.35Å; L307-L349 HydrophobicContact CB-CB 4.41Å; L307-L349 HydrophobicContact CD1-CB 4.31Å; L307-L349 PolarHBondContact N-O 3.13Å; L307-L349 PolarHBondContact O-N 3.48Å; L307-M351 HydrophobicContact CD1-CE 3.73Å; L307-M351 HydrophobicContact CD2-CE 4.44Å
308	D	95.9	Very high	93.2	Very high	33 Å²	33	62 Å²	62	18%	0.176	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	119.6	175.4	173.6	-38	0	0	0	109.9	F287 Q310 K311 V312	F287-D308 WeakPolarHBondContact O-CB 3.5Å; F287-D308 PolarHBondContact O-N 3.34Å; D308-Q310 VanDerWaalsContact C-N 3.31Å; D308-Q310 PolarHBondContact O-N 3.48Å; D308-Q310 WeakPolarHBondContact OD1-CA 3.39Å; D308-Q310 WeakPolarHBondContact OD1-CB 3.45Å; D308-Q310 PolarHBondContact OD1-N 3.15Å; D308-K311 HydrophobicContact CB-CB 4.04Å; D308-K311 HydrophobicContact CB-CD 4.02Å; D308-K311 HydrophobicContact CB-CG 3.96Å; D308-K311 PolarHBondContact O-N 2.85Å; D308-K311 VanDerWaalsContact O-N 3.17Å; D308-K311 PolarHBondContact OD1-N 3.4Å; D308-K311 IonicContact OD2-NZ 2.65Å; D308-K311 PolarHBondContact OD2-NZ 3.33Å; D308-V312 WeakPolarHBondContact O-CG2 3.24Å; D308-V312 PolarHBondContact O-N 3.32Å
309	K	94.7	Very high	92.7	Very high	63 Å²	63	66.2 Å²	66.2	27%	0.274	32%	0.32	S	S	.	.	H	α-helix	trans	-60.3	-38.6	-177.1	-70.1	174.2	174.7	-179.9	0	112.7	L307 K311 V312 V313 D345 S347 N348 L349	L307-K309 PolarHBondContact O-N 2.77Å; K309-K311 VanDerWaalsContact C-N 3.35Å; K309-V312 PolarHBondContact O-N 3.21Å; K309-V313 WeakPolarHBondContact O-CG2 3.42Å; K309-V313 PolarHBondContact O-N 2.97Å; K309-D345 WeakPolarHBondContact CE-O 3.27Å; K309-D345 PolarHBondContact NZ-O 3.46Å; K309-S347 WeakPolarHBondContact CB-O 3.46Å; K309-S347 WeakPolarHBondContact CG-O 3.34Å; K309-S347 PolarHBondContact N-O 3.22Å; K309-N348 WeakPolarHBondContact CE-O 3.17Å; K309-L349 HydrophobicContact CG-CD2 4.32Å; K309-L349 HydrophobicContact CG-CG 4.05Å
310	Q	94.2	Very high	92.1	Very high	158 Å²	158	66.8 Å²	66.8	74%	0.738	32%	0.315	S	S	*	.	H	α-helix	trans	-67.6	-38	179.2	-60.6	-174.4	-7.5	0	0	110.7	D308 K314	D308-Q310 VanDerWaalsContact C-N 3.31Å; D308-Q310 PolarHBondContact O-N 3.48Å; D308-Q310 WeakPolarHBondContact OD1-CA 3.39Å; D308-Q310 WeakPolarHBondContact OD1-CB 3.45Å; D308-Q310 PolarHBondContact OD1-N 3.15Å; Q310-K314 WeakPolarHBondContact O-CB 3.38Å; Q310-K314 PolarHBondContact O-N 2.96Å
311	K	92.5	Very high	91.7	Very high	95 Å²	95	63.1 Å²	63.1	41%	0.413	30%	0.296	S	S	.	.	H	α-helix	trans	-67	-41.9	173.4	-67.1	-173.9	-174.5	79.8	0	112.5	D308 K309 K314 L315	D308-K311 HydrophobicContact CB-CB 4.04Å; D308-K311 HydrophobicContact CB-CD 4.02Å; D308-K311 HydrophobicContact CB-CG 3.96Å; D308-K311 PolarHBondContact O-N 2.85Å; D308-K311 VanDerWaalsContact O-N 3.17Å; D308-K311 PolarHBondContact OD1-N 3.4Å; D308-K311 IonicContact OD2-NZ 2.65Å; D308-K311 PolarHBondContact OD2-NZ 3.33Å; K309-K311 VanDerWaalsContact C-N 3.35Å; K311-K314 PolarHBondContact O-N 3.35Å; K311-L315 WeakPolarHBondContact O-CB 3.37Å; K311-L315 WeakPolarHBondContact O-CG 3.19Å; K311-L315 PolarHBondContact O-N 2.91Å
312	V	90.3	Very high	91.3	Very high	5 Å²	5	60.7 Å²	60.7	3%	0.03	29%	0.291	C	S	.	.	H	α-helix	trans	-60.8	-45.2	177	171	0	0	0	0	111.3	F287 L307 D308 K309 K316 Q317 V318 T321	F287-V312 HydrophobicContact CB-CG2 3.99Å; F287-V312 HydrophobicContact CD1-CG2 4.28Å; F287-V312 HydrophobicContact CG-CG2 4.13Å; L307-V312 HydrophobicContact CB-CG2 4.13Å; D308-V312 WeakPolarHBondContact O-CG2 3.24Å; D308-V312 PolarHBondContact O-N 3.32Å; K309-V312 PolarHBondContact O-N 3.21Å; V312-K316 PolarHBondContact O-N 3.36Å; V312-Q317 HydrophobicContact CG1-CB 4.35Å; V312-Q317 PolarHBondContact O-N 3.25Å; V312-V318 HydrophobicContact CG1-CG2 4.17Å; V312-T321 WeakPolarHBondContact CG1-OG1 3.37Å
313	V	91.2	Very high	90.9	Very high	70 Å²	70	61.9 Å²	61.9	42%	0.424	30%	0.299	S	S	.	.	H	α-helix	trans	-66.2	-50.2	175	173.5	0	0	0	0	111.2	L10 K309 L315 K316 V318	L10-V313 HydrophobicContact CD2-CG2 4.25Å; K309-V313 WeakPolarHBondContact O-CG2 3.42Å; K309-V313 PolarHBondContact O-N 2.97Å; V313-L315 PolarHBondContact O-N 3.21Å; V313-K316 PolarHBondContact O-N 2.95Å; V313-V318 HydrophobicContact CB-CG2 4.5Å; V313-V318 HydrophobicContact CG2-CG2 3.83Å
314	K	91	Very high	90.6	Very high	181 Å²	181	61.6 Å²	61.6	79%	0.787	30%	0.295	S	S	*	.	H	α-helix	trans	-59.9	-29.8	-177.5	-178.3	170.4	-177.3	170.3	0	113.7	Q310 K311	Q310-K314 WeakPolarHBondContact O-CB 3.38Å; Q310-K314 PolarHBondContact O-N 2.96Å; K311-K314 PolarHBondContact O-N 3.35Å
315	L	87	Confident	90.3	Very high	92 Å²	92	63.7 Å²	63.7	48%	0.482	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	2.7	177.7	-65.6	172.7	0	0	0	113.5	F287 K311 V313 Q317	F287-L315 HydrophobicContact CD1-CD1 3.8Å; F287-L315 HydrophobicContact CE1-CB 4.04Å; F287-L315 HydrophobicContact CE1-CD1 3.59Å; F287-L315 HydrophobicContact CE1-CG 4.46Å; K311-L315 WeakPolarHBondContact O-CB 3.37Å; K311-L315 WeakPolarHBondContact O-CG 3.19Å; K311-L315 PolarHBondContact O-N 2.91Å; V313-L315 PolarHBondContact O-N 3.21Å; L315-Q317 HydrophobicContact CB-CG 4.09Å; L315-Q317 WeakPolarHBondContact O-CG 3.5Å
316	K	88	Confident	90.1	Very high	166 Å²	166	66.3 Å²	66.3	72%	0.722	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	54	-176.7	-57.6	-173.1	177.5	-172.5	0	113	V312 V313	V312-K316 PolarHBondContact O-N 3.36Å; V313-K316 PolarHBondContact O-N 2.95Å
317	Q	83.7	Confident	89.9	Confident	14 Å²	14	65.3 Å²	65.3	7%	0.065	31%	0.308	C	S	.	.			trans	-124.8	19.2	-174.8	-61.6	-74.3	-91.8	0	0	113.2	H34 F287 V312 L315 T321	H34-Q317 PolarHBondContact CE1-NE2 3.4Å; H34-Q317 PolarHBondContact CE1-OE1 3.29Å; H34-Q317 VanDerWaalsContact CE1-OE1 3.22Å; H34-Q317 PolarHBondContact NE2-NE2 2.95Å; F287-Q317 HydrophobicContact CE1-CB 3.99Å; F287-Q317 HydrophobicContact CE1-CG 3.65Å; F287-Q317 HydrophobicContact CZ-CB 3.99Å; F287-Q317 HydrophobicContact CZ-CG 3.61Å; V312-Q317 HydrophobicContact CG1-CB 4.35Å; V312-Q317 PolarHBondContact O-N 3.25Å; L315-Q317 HydrophobicContact CB-CG 4.09Å; L315-Q317 WeakPolarHBondContact O-CG 3.5Å; Q317-T321 WeakPolarHBondContact O-CB 3.44Å; Q317-T321 PolarHBondContact O-N 3Å; Q317-T321 PolarHBondContact O-OG1 3.18Å
318	V	87.8	Confident	89.7	Confident	40 Å²	40	65.4 Å²	65.4	24%	0.242	31%	0.308	C	S	.	.	H	α-helix	trans	-61.2	-56.7	-177.5	179.1	0	0	0	0	110.9	L10 V312 V313 H320 T321 L322	L10-V318 HydrophobicContact CD1-CG1 4.04Å; V312-V318 HydrophobicContact CG1-CG2 4.17Å; V313-V318 HydrophobicContact CB-CG2 4.5Å; V313-V318 HydrophobicContact CG2-CG2 3.83Å; V318-H320 PolarHBondContact O-N 2.93Å; V318-T321 PolarHBondContact O-N 2.9Å; V318-T321 VanDerWaalsContact O-N 3.13Å; V318-L322 HydrophobicContact CG1-CD1 3.85Å; V318-L322 HydrophobicContact CG1-CG 4.4Å; V318-L322 WeakPolarHBondContact O-CG 3.34Å; V318-L322 PolarHBondContact O-N 2.66Å
319	E	85.3	Confident	89.3	Confident	145 Å²	145	65.6 Å²	65.6	68%	0.678	31%	0.309	S	S	*	.	H	α-helix	trans	-55.6	-48.4	177.4	-69.4	147.1	-146.3	0	0	112	T321 L322 N323	E319-T321 VanDerWaalsContact C-N 3.29Å; E319-T321 PolarHBondContact O-N 3.32Å; E319-L322 PolarHBondContact O-N 3.14Å; E319-N323 WeakPolarHBondContact O-CB 3.26Å; E319-N323 PolarHBondContact O-N 2.65Å
320	H	82	Confident	88.8	Confident	41 Å²	41	63 Å²	63	19%	0.19	30%	0.298	C	S	.	.	H	α-helix	trans	-58.2	-40.1	177.9	-73.3	83.3	0	0	0	112	V318 E324	V318-H320 PolarHBondContact O-N 2.93Å; H320-E324 VanDerWaalsContact O-CB 3.3Å; H320-E324 WeakPolarHBondContact O-CB 3.46Å; H320-E324 PolarHBondContact O-N 2.9Å
321	T	88.8	Confident	88.6	Confident	9 Å²	9	55.8 Å²	55.8	6%	0.055	27%	0.265	C	S	.	.	H	α-helix	trans	-72.1	-40.4	178.3	-53.6	0	0	0	0	112.4	L307 V312 Q317 V318 E319 K325 L349	L307-T321 HydrophobicContact CD2-CG2 3.96Å; V312-T321 WeakPolarHBondContact CG1-OG1 3.37Å; Q317-T321 WeakPolarHBondContact O-CB 3.44Å; Q317-T321 PolarHBondContact O-N 3Å; Q317-T321 PolarHBondContact O-OG1 3.18Å; V318-T321 PolarHBondContact O-N 2.9Å; V318-T321 VanDerWaalsContact O-N 3.13Å; E319-T321 VanDerWaalsContact C-N 3.29Å; E319-T321 PolarHBondContact O-N 3.32Å; T321-K325 PolarHBondContact O-N 3.38Å; T321-K325 VanDerWaalsContact O-N 3.09Å; T321-L349 HydrophobicContact CG2-CD1 3.72Å
322	L	89	Confident	88.5	Confident	71 Å²	71	55.8 Å²	55.8	37%	0.372	27%	0.27	S	S	.	.	H	α-helix	trans	-66.7	-43.5	176.5	-70	172.6	0	0	0	111.3	V318 E319 K325 R326	V318-L322 HydrophobicContact CG1-CD1 3.85Å; V318-L322 HydrophobicContact CG1-CG 4.4Å; V318-L322 WeakPolarHBondContact O-CG 3.34Å; V318-L322 PolarHBondContact O-N 2.66Å; E319-L322 PolarHBondContact O-N 3.14Å; L322-K325 PolarHBondContact O-N 2.8Å; L322-R326 WeakPolarHBondContact O-CB 3.44Å; L322-R326 PolarHBondContact O-N 3.25Å
323	N	87.8	Confident	88.7	Confident	46 Å²	46	55.6 Å²	55.6	25%	0.246	27%	0.268	C	S	.	.	H	α-helix	trans	-68.8	-39.4	177	167.2	88.2	0	0	0	112.1	E319 K325 R326 I327 A421	E319-N323 WeakPolarHBondContact O-CB 3.26Å; E319-N323 PolarHBondContact O-N 2.65Å; N323-K325 PolarHBondContact O-N 2.68Å; N323-R326 PolarHBondContact O-N 2.92Å; N323-I327 WeakPolarHBondContact O-CB 3.49Å; N323-I327 VanDerWaalsContact O-CG1 3.29Å; N323-I327 WeakPolarHBondContact O-CG1 3.32Å; N323-I327 PolarHBondContact O-N 3.45Å; N323-A421 PolarHBondContact ND2-O 2.97Å
324	E	91.2	Very high	88.8	Confident	8 Å²	8	53.8 Å²	53.8	4%	0.037	26%	0.258	C	S	.	.	H	α-helix	trans	-56.1	-51.6	170.6	-176.3	-176.5	-179.9	0	0	110.4	K305 H320 R326 I327 L328 M351 F418	K305-E324 IonicContact NZ-OE1 2.8Å; K305-E324 PolarHBondContact NZ-OE1 3.44Å; K305-E324 IonicContact NZ-OE2 3.42Å; K305-E324 PolarHBondContact NZ-OE2 2.86Å; H320-E324 VanDerWaalsContact O-CB 3.3Å; H320-E324 WeakPolarHBondContact O-CB 3.46Å; H320-E324 PolarHBondContact O-N 2.9Å; E324-R326 PolarHBondContact O-N 2.94Å; E324-I327 PolarHBondContact O-N 2.84Å; E324-L328 HydrophobicContact CG-CD1 3.8Å; E324-L328 HydrophobicContact CG-CG 4.41Å; E324-L328 WeakPolarHBondContact O-CB 3.14Å; E324-L328 WeakPolarHBondContact O-CG 3.34Å; E324-L328 PolarHBondContact O-N 2.98Å; E324-M351 HydrophobicContact CG-CE 4.34Å; E324-F418 HydrophobicContact CG-CB 4.03Å
325	K	91	Very high	89.1	Confident	43 Å²	43	45.2 Å²	45.2	19%	0.187	22%	0.221	C	C	.	.	H	α-helix	trans	-57.7	-48.2	177	-175.4	-157.9	171.4	-116.1	0	111.4	L266 T321 L322 N323 I327 L328 Q329 M339 S342 M351	L266-K325 PolarHBondContact O-NZ 3.49Å; T321-K325 PolarHBondContact O-N 3.38Å; T321-K325 VanDerWaalsContact O-N 3.09Å; L322-K325 PolarHBondContact O-N 2.8Å; N323-K325 PolarHBondContact O-N 2.68Å; K325-I327 VanDerWaalsContact C-N 3.33Å; K325-I327 PolarHBondContact O-N 3.16Å; K325-L328 PolarHBondContact O-N 2.78Å; K325-Q329 VanDerWaalsContact CE-OE1 3.24Å; K325-Q329 HydrophobicContact CG-CG 4.36Å; K325-Q329 WeakPolarHBondContact O-CB 3.27Å; K325-Q329 WeakPolarHBondContact O-CG 3.42Å; K325-Q329 PolarHBondContact O-N 3.36Å; K325-M339 HydrophobicContact CG-CE 4.02Å; K325-S342 VanDerWaalsContact CE-OG 3.25Å; K325-S342 WeakPolarHBondContact CE-OG 3.45Å; K325-M351 HydrophobicContact CB-SD 3.91Å; K325-M351 HydrophobicContact CG-SD 4.31Å
326	R	89.7	Confident	89.6	Confident	88 Å²	88	40.8 Å²	40.8	33%	0.332	20%	0.198	S	C	.	.	H	α-helix	trans	-62.4	-39.3	-177.8	-171.7	175.1	-176.1	172.9	2.1	111.9	W261 L322 N323 E324 A330	W261-R326 HydrophobicContact CZ3-CG 4.21Å; L322-R326 WeakPolarHBondContact O-CB 3.44Å; L322-R326 PolarHBondContact O-N 3.25Å; N323-R326 PolarHBondContact O-N 2.92Å; E324-R326 PolarHBondContact O-N 2.94Å; R326-A330 WeakPolarHBondContact O-CB 3.2Å; R326-A330 PolarHBondContact O-N 3.28Å
327	I	91.3	Very high	89.9	Confident	0 Å²	0	33 Å²	33	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-66.9	-48.1	174.4	-69.7	169.5	0	0	0	110.3	W261 N323 E324 K325 Q329 A330 I331 L395 F418 A421	W261-I327 HydrophobicContact CH2-CG1 4.14Å; W261-I327 HydrophobicContact CZ2-CG1 4.43Å; N323-I327 WeakPolarHBondContact O-CB 3.49Å; N323-I327 VanDerWaalsContact O-CG1 3.29Å; N323-I327 WeakPolarHBondContact O-CG1 3.32Å; N323-I327 PolarHBondContact O-N 3.45Å; E324-I327 PolarHBondContact O-N 2.84Å; K325-I327 VanDerWaalsContact C-N 3.33Å; K325-I327 PolarHBondContact O-N 3.16Å; I327-Q329 VanDerWaalsContact C-N 3.31Å; I327-Q329 PolarHBondContact O-N 3.34Å; I327-A330 PolarHBondContact O-N 3.4Å; I327-I331 HydrophobicContact CG2-CD1 4.13Å; I327-I331 HydrophobicContact CG2-CG2 4.31Å; I327-I331 WeakPolarHBondContact O-CG1 3.35Å; I327-I331 PolarHBondContact O-N 2.84Å; I327-L395 HydrophobicContact CD1-CD2 3.86Å; I327-L395 HydrophobicContact CG1-CD2 3.88Å; I327-L395 HydrophobicContact CG2-CD1 4.15Å; I327-F418 HydrophobicContact CG2-CB 4.46Å; I327-F418 HydrophobicContact CG2-CD1 3.79Å; I327-F418 HydrophobicContact CG2-CE1 4.43Å; I327-F418 HydrophobicContact CG2-CG 4.37Å; I327-A421 HydrophobicContact CD1-CB 3.74Å; I327-A421 WeakPolarHBondContact CD1-O 3.46Å
328	L	92	Very high	90.3	Very high	5 Å²	5	34.3 Å²	34.3	3%	0.026	17%	0.171	C	C	.	.	H	α-helix	trans	-65.2	-26.5	178.5	-76.7	173.1	0	0	0	114.5	E324 K325 I331 M339 M351 L353 F418	E324-L328 HydrophobicContact CG-CD1 3.8Å; E324-L328 HydrophobicContact CG-CG 4.41Å; E324-L328 WeakPolarHBondContact O-CB 3.14Å; E324-L328 WeakPolarHBondContact O-CG 3.34Å; E324-L328 PolarHBondContact O-N 2.98Å; K325-L328 PolarHBondContact O-N 2.78Å; L328-I331 HydrophobicContact CD2-CD1 4.43Å; L328-M339 HydrophobicContact CB-CB 4.07Å; L328-M339 HydrophobicContact CB-CE 3.76Å; L328-M339 HydrophobicContact CB-SD 4.29Å; L328-M339 HydrophobicContact CD1-SD 4.5Å; L328-M351 HydrophobicContact CD1-SD 3.99Å; L328-L353 HydrophobicContact CD1-CD2 4.12Å; L328-F418 HydrophobicContact CD2-CB 4.49Å; L328-F418 HydrophobicContact CD2-CD2 3.55Å; L328-F418 HydrophobicContact CD2-CE2 3.99Å; L328-F418 HydrophobicContact CD2-CG 4.17Å; L328-F418 HydrophobicContact CG-CB 4.34Å; L328-F418 HydrophobicContact CG-CD2 4.29Å
329	Q	87.3	Confident	90.6	Very high	38 Å²	38	33.7 Å²	33.7	18%	0.178	17%	0.166	C	C	.	.	H	α-helix	trans	-78.4	-26.7	171.1	-75.2	-175.9	-75.3	0	0	112.7	H260 L266 K325 I327 M339	H260-Q329 PolarHBondContact CE1-O 3.06Å; H260-Q329 PolarHBondContact ND1-O 3.39Å; L266-Q329 HydrophobicContact CD2-CB 4.09Å; L266-Q329 PolarHBondContact O-NE2 2.91Å; L266-Q329 PolarHBondContact O-OE1 3.32Å; K325-Q329 VanDerWaalsContact CE-OE1 3.24Å; K325-Q329 HydrophobicContact CG-CG 4.36Å; K325-Q329 WeakPolarHBondContact O-CB 3.27Å; K325-Q329 WeakPolarHBondContact O-CG 3.42Å; K325-Q329 PolarHBondContact O-N 3.36Å; I327-Q329 VanDerWaalsContact C-N 3.31Å; I327-Q329 PolarHBondContact O-N 3.34Å; Q329-M339 HydrophobicContact CB-CE 4.38Å; Q329-M339 HydrophobicContact CG-CE 3.4Å; Q329-M339 VanDerWaalsContact CG-CE 3.4Å
330	A	84.3	Confident	91	Very high	7 Å²	7	30 Å²	30	6%	0.058	15%	0.153	C	C	.	.	H	α-helix	trans	-82.7	-50.8	-178.7	0	0	0	0	0	111.3	L257 W261 R326 I327	L257-A330 WeakPolarHBondContact CD2-O 3.44Å; W261-A330 HydrophobicContact CD2-CB 4.22Å; W261-A330 HydrophobicContact CG-CB 4.38Å; W261-A330 HydrophobicContact CZ2-CB 3.96Å; R326-A330 WeakPolarHBondContact O-CB 3.2Å; R326-A330 PolarHBondContact O-N 3.28Å; I327-A330 PolarHBondContact O-N 3.4Å
331	I	90.1	Very high	91.6	Very high	8 Å²	8	29.7 Å²	29.7	4%	0.041	15%	0.152	C	C	.	.			trans	-72.8	140.2	-169	65.4	-171.2	0	0	0	114.1	I327 L328 L336 Y389 L390 L393 L395 F418	I327-I331 HydrophobicContact CG2-CD1 4.13Å; I327-I331 HydrophobicContact CG2-CG2 4.31Å; I327-I331 WeakPolarHBondContact O-CG1 3.35Å; I327-I331 PolarHBondContact O-N 2.84Å; L328-I331 HydrophobicContact CD2-CD1 4.43Å; I331-L336 HydrophobicContact CB-CD1 4.44Å; I331-L336 HydrophobicContact CD1-CD1 4.02Å; I331-Y389 WeakPolarHBondContact CA-OH 3.13Å; I331-Y389 HydrophobicContact CB-CE1 4.18Å; I331-Y389 HydrophobicContact CG2-CE1 4.13Å; I331-L390 HydrophobicContact CG2-CD2 4.08Å; I331-L393 HydrophobicContact CG2-CD1 4.28Å; I331-L395 HydrophobicContact CG2-CD1 3.94Å; I331-F418 HydrophobicContact CD1-CD1 4.06Å; I331-F418 HydrophobicContact CD1-CD2 4.48Å; I331-F418 HydrophobicContact CD1-CE1 3.47Å; I331-F418 VanDerWaalsContact CD1-CE1 3.47Å; I331-F418 HydrophobicContact CD1-CE2 3.96Å; I331-F418 HydrophobicContact CD1-CZ 3.41Å; I331-F418 VanDerWaalsContact CD1-CZ 3.41Å
332	D	89.9	Confident	91.8	Very high	95 Å²	95	29.6 Å²	29.6	51%	0.508	15%	0.151	S	C	.	.			trans	-136.9	123.4	160.3	-176.4	10.1	0	0	0	108.9	N338 Y389	D332-N338 PolarHBondContact OD1-ND2 3.37Å; D332-Y389 PolarHBondContact N-OH 3.22Å; D332-Y389 PolarHBondContact O-OH 3.1Å; D332-Y389 VanDerWaalsContact O-OH 3.11Å
333	F	93.7	Very high	92.1	Very high	1 Å²	1	26.9 Å²	26.9	0%	0.004	14%	0.136	C	C	.	.			trans	-161	142.4	178.5	-165.5	-107.4	0	0	0	111.9	F246 L253 F335 L336 L385 A386 Y389 Y539	F246-F333 HydrophobicContact CE2-CE2 4.5Å; F246-F333 HydrophobicContact CE2-CZ 4.47Å; F246-F333 HydrophobicContact CZ-CE2 4.12Å; F246-F333 AromaticContact CZ-CZ 3.92Å; F246-F333 HydrophobicContact CZ-CZ 3.92Å; L253-F333 HydrophobicContact CD1-CD2 3.92Å; L253-F333 HydrophobicContact CD1-CE2 4.06Å; F333-F335 HydrophobicContact CD1-CB 4.39Å; F333-F335 HydrophobicContact CD1-CD2 4.35Å; F333-F335 HydrophobicContact CE1-CB 4.49Å; F333-F335 AromaticContact CE1-CD2 3.69Å; F333-F335 HydrophobicContact CE1-CD2 3.69Å; F333-F335 HydrophobicContact CE1-CE2 4.27Å; F333-F335 HydrophobicContact CE1-CG 4.4Å; F333-F335 PolarHBondContact O-N 3.28Å; F333-L336 HydrophobicContact CB-CB 4.33Å; F333-L336 HydrophobicContact CB-CD1 3.82Å; F333-L336 HydrophobicContact CB-CG 3.88Å; F333-L336 HydrophobicContact CD1-CG 4.19Å; F333-L336 HydrophobicContact CG-CG 4.49Å; F333-L336 PolarHBondContact O-N 2.85Å; F333-L385 HydrophobicContact CE1-CB 4.32Å; F333-L385 HydrophobicContact CZ-CB 4.12Å; F333-A386 HydrophobicContact CD1-CB 4.25Å; F333-A386 HydrophobicContact CE1-CB 4.09Å; F333-Y389 HydrophobicContact CB-CD1 3.95Å; F333-Y389 HydrophobicContact CB-CD2 4.46Å; F333-Y389 HydrophobicContact CB-CE1 3.82Å; F333-Y389 HydrophobicContact CB-CE2 4.31Å; F333-Y389 HydrophobicContact CB-CG 4.28Å; F333-Y389 HydrophobicContact CD1-CD1 4.47Å; F333-Y389 HydrophobicContact CD1-CG 4.5Å; F333-Y389 HydrophobicContact CD2-CD1 4.09Å; F333-Y389 AromaticContact CD2-CD2 3.51Å; F333-Y389 HydrophobicContact CD2-CD2 3.51Å; F333-Y389 AromaticContact CD2-CE2 3.99Å; F333-Y389 HydrophobicContact CD2-CE2 3.99Å; F333-Y389 AromaticContact CD2-CG 3.57Å; F333-Y389 HydrophobicContact CD2-CG 3.57Å; F333-Y389 HydrophobicContact CE2-CD2 4.01Å; F333-Y389 AromaticContact CE2-CG 3.97Å; F333-Y389 HydrophobicContact CE2-CG 3.97Å; F333-Y389 AromaticContact CG-CD1 3.92Å; F333-Y389 HydrophobicContact CG-CD1 3.92Å; F333-Y389 HydrophobicContact CG-CD2 4.17Å; F333-Y389 HydrophobicContact CG-CE1 4.29Å; F333-Y389 HydrophobicContact CG-CE2 4.48Å; F333-Y389 AromaticContact CG-CG 3.87Å; F333-Y389 HydrophobicContact CG-CG 3.87Å; F333-Y539 HydrophobicContact CD2-CE2 4.25Å; F333-Y539 HydrophobicContact CE2-CD2 4.09Å; F333-Y539 AromaticContact CE2-CE2 3.59Å; F333-Y539 HydrophobicContact CE2-CE2 3.59Å; F333-Y539 HydrophobicContact CZ-CD2 4.01Å; F333-Y539 AromaticContact CZ-CE2 3.99Å; F333-Y539 HydrophobicContact CZ-CE2 3.99Å
334	P	94.3	Very high	92.5	Very high	32 Å²	32	29.9 Å²	29.9	21%	0.208	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-19.2	-170.9	-29.4	37.4	0	0	0	117.2	K414 Y539 K541	P334-K414 VanDerWaalsContact O-CE 3.31Å; P334-K414 WeakPolarHBondContact O-CE 3.3Å; P334-Y539 HydrophobicContact CG-CD2 4.01Å; P334-Y539 HydrophobicContact CG-CE2 3.55Å; P334-K541 WeakPolarHBondContact O-CE 3.41Å; P334-K541 PolarHBondContact O-NZ 2.94Å
335	F	97	Very high	92.6	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.9	10.1	179.9	-44.1	-45.9	0	0	0	114.4	F333 Q382 L385 A386 Y412 L413 K414 I415 I538 K541	F333-F335 HydrophobicContact CD1-CB 4.39Å; F333-F335 HydrophobicContact CD1-CD2 4.35Å; F333-F335 HydrophobicContact CE1-CB 4.49Å; F333-F335 AromaticContact CE1-CD2 3.69Å; F333-F335 HydrophobicContact CE1-CD2 3.69Å; F333-F335 HydrophobicContact CE1-CE2 4.27Å; F333-F335 HydrophobicContact CE1-CG 4.4Å; F333-F335 PolarHBondContact O-N 3.28Å; F335-Q382 HydrophobicContact CB-CB 4.49Å; F335-Q382 HydrophobicContact CD1-CB 4.28Å; F335-Q382 HydrophobicContact CD1-CG 4.14Å; F335-Q382 HydrophobicContact CD2-CB 3.75Å; F335-Q382 HydrophobicContact CD2-CG 4.13Å; F335-Q382 WeakPolarHBondContact CD2-O 3.47Å; F335-Q382 HydrophobicContact CE1-CG 3.99Å; F335-Q382 HydrophobicContact CE2-CB 4.05Å; F335-Q382 HydrophobicContact CE2-CG 3.98Å; F335-Q382 HydrophobicContact CG-CB 3.91Å; F335-Q382 HydrophobicContact CG-CG 4.24Å; F335-Q382 HydrophobicContact CZ-CB 4.44Å; F335-Q382 HydrophobicContact CZ-CG 3.91Å; F335-L385 HydrophobicContact CD2-CB 4.42Å; F335-L385 HydrophobicContact CE2-CB 4.18Å; F335-L385 HydrophobicContact CE2-CD1 3.88Å; F335-A386 HydrophobicContact CB-CB 4.49Å; F335-Y412 HydrophobicContact CD1-CD1 4.23Å; F335-Y412 AromaticContact CE1-CD1 3.57Å; F335-Y412 HydrophobicContact CE1-CD1 3.57Å; F335-Y412 AromaticContact CE1-CE1 3.98Å; F335-Y412 HydrophobicContact CE1-CE1 3.98Å; F335-Y412 HydrophobicContact CZ-CD1 4.38Å; F335-Y412 HydrophobicContact CZ-CE1 4.39Å; F335-L413 WeakPolarHBondContact CA-O 3.34Å; F335-K414 CarbonylContact O-C 3.53Å; F335-K414 WeakPolarHBondContact O-CA 3.49Å; F335-I415 WeakPolarHBondContact O-CG1 3.24Å; F335-I415 PolarHBondContact O-N 3.37Å; F335-I538 HydrophobicContact CE2-CG2 4.15Å; F335-I538 HydrophobicContact CZ-CG2 3.91Å; F335-I538 WeakPolarHBondContact CZ-O 3.49Å; F335-K541 HydrophobicContact CE1-CG 4.16Å
336	L	97	Very high	92.8	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-109.3	149.3	172.8	-55.5	-177.1	0	0	0	109.5	I331 F333 N338 A386 Y389 L390 K414 I415 F418	I331-L336 HydrophobicContact CB-CD1 4.44Å; I331-L336 HydrophobicContact CD1-CD1 4.02Å; F333-L336 HydrophobicContact CB-CB 4.33Å; F333-L336 HydrophobicContact CB-CD1 3.82Å; F333-L336 HydrophobicContact CB-CG 3.88Å; F333-L336 HydrophobicContact CD1-CG 4.19Å; F333-L336 HydrophobicContact CG-CG 4.49Å; F333-L336 PolarHBondContact O-N 2.85Å; L336-N338 PolarHBondContact O-N 2.86Å; L336-N338 PolarHBondContact O-OD1 2.74Å; L336-A386 HydrophobicContact CD2-CB 3.89Å; L336-Y389 HydrophobicContact CD1-CD1 3.8Å; L336-Y389 HydrophobicContact CD1-CE1 3.59Å; L336-L390 HydrophobicContact CD1-CD1 4.36Å; L336-L390 HydrophobicContact CD1-CD2 3.87Å; L336-L390 HydrophobicContact CD1-CG 4.08Å; L336-L390 HydrophobicContact CD2-CD1 4.35Å; L336-K414 WeakPolarHBondContact O-CD 3.31Å; L336-K414 WeakPolarHBondContact O-CE 3.43Å; L336-K414 PolarHBondContact O-NZ 2.87Å; L336-I415 HydrophobicContact CD2-CB 3.78Å; L336-I415 HydrophobicContact CD2-CD1 3.78Å; L336-I415 HydrophobicContact CD2-CG1 3.98Å; L336-F418 HydrophobicContact CB-CZ 4.18Å; L336-F418 HydrophobicContact CD1-CZ 4.24Å; L336-F418 HydrophobicContact CD2-CZ 4.05Å; L336-F418 HydrophobicContact CG-CZ 4.37Å
337	V	95.4	Very high	93.1	Very high	2 Å²	2	37 Å²	37	1%	0.012	20%	0.2	C	C	.	.			trans	-74.4	113.4	173.8	169.3	0	0	0	0	109.8	L353 E354 I356 L406 K414 I415	V337-L353 HydrophobicContact CG1-CB 3.72Å; V337-L353 HydrophobicContact CG1-CD1 4.03Å; V337-L353 HydrophobicContact CG1-CD2 4.41Å; V337-L353 HydrophobicContact CG1-CG 4.26Å; V337-E354 HydrophobicContact CG1-CG 4.12Å; V337-I356 HydrophobicContact CG2-CG1 4.31Å; V337-L406 HydrophobicContact CG2-CD1 4.36Å; V337-K414 HydrophobicContact CG2-CB 3.84Å; V337-K414 HydrophobicContact CG2-CD 4.45Å; V337-I415 WeakPolarHBondContact CB-O 3.38Å; V337-I415 WeakPolarHBondContact CG2-O 3.4Å; V337-I415 PolarHBondContact N-O 2.7Å
338	N	92.1	Very high	93.3	Very high	42 Å²	42	38.7 Å²	38.7	23%	0.225	21%	0.209	C	C	.	.			trans	-79.9	140.7	178.5	-67.9	10.3	0	0	0	110.8	D332 L336 E354	D332-N338 PolarHBondContact OD1-ND2 3.37Å; L336-N338 PolarHBondContact O-N 2.86Å; L336-N338 PolarHBondContact O-OD1 2.74Å; N338-E354 PolarHBondContact N-OE1 3.38Å; N338-E354 PolarHBondContact O-N 2.6Å; N338-E354 VanDerWaalsContact O-N 3.12Å
339	M	93.8	Very high	93.5	Very high	27 Å²	27	40.5 Å²	40.5	13%	0.133	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	114.5	171.9	-177.3	165.9	64.1	0	0	110.4	K325 L328 Q329 F341 M351 L353	K325-M339 HydrophobicContact CG-CE 4.02Å; L328-M339 HydrophobicContact CB-CB 4.07Å; L328-M339 HydrophobicContact CB-CE 3.76Å; L328-M339 HydrophobicContact CB-SD 4.29Å; L328-M339 HydrophobicContact CD1-SD 4.5Å; Q329-M339 HydrophobicContact CB-CE 4.38Å; Q329-M339 HydrophobicContact CG-CE 3.4Å; Q329-M339 VanDerWaalsContact CG-CE 3.4Å; M339-F341 WeakPolarHBondContact CG-O 3.13Å; M339-M351 HydrophobicContact SD-CB 3.51Å; M339-M351 VanDerWaalsContact SD-CB 3.51Å; M339-M351 HydrophobicContact SD-CG 3.55Å; M339-M351 VanDerWaalsContact SD-CG 3.55Å; M339-M351 HydrophobicContact SD-SD 4Å; M339-L353 HydrophobicContact CB-CD2 3.68Å; M339-L353 HydrophobicContact CG-CD2 3.88Å; M339-L353 HydrophobicContact SD-CD2 4.27Å
340	T	93	Very high	93.9	Very high	66 Å²	66	39 Å²	39	41%	0.405	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	-36.5	-178.3	-44.4	0	0	0	0	112.4	Y302 V352	Y302-T340 HydrophobicContact CE1-CG2 4.01Å; Y302-T340 WeakPolarHBondContact CE1-OG1 3.47Å; T340-V352 PolarHBondContact N-O 2.92Å
341	F	94.2	Very high	94.4	Very high	36 Å²	36	39 Å²	39	16%	0.158	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	150.4	178.1	-45.4	-89.1	0	0	0	112.2	T270 A271 F276 Y302 M339 V352	T270-F341 VanDerWaalsContact OG1-CA 3.29Å; T270-F341 WeakPolarHBondContact OG1-CA 3.33Å; A271-F341 HydrophobicContact CB-CB 4.12Å; A271-F341 HydrophobicContact CB-CD1 3.93Å; A271-F341 HydrophobicContact CB-CG 4.15Å; F276-F341 HydrophobicContact CE1-CD2 4.2Å; F276-F341 HydrophobicContact CE1-CE2 4.32Å; F276-F341 AromaticContact CZ-CD2 3.78Å; F276-F341 HydrophobicContact CZ-CD2 3.78Å; F276-F341 HydrophobicContact CZ-CE2 4.15Å; F276-F341 HydrophobicContact CZ-CG 4.18Å; Y302-F341 HydrophobicContact CE1-CE2 4.31Å; Y302-F341 HydrophobicContact CE2-CE2 4.14Å; Y302-F341 AromaticContact CZ-CE2 3.94Å; M339-F341 WeakPolarHBondContact CG-O 3.13Å; F341-V352 HydrophobicContact CB-CB 3.92Å; F341-V352 HydrophobicContact CB-CG2 4.09Å; F341-V352 HydrophobicContact CD2-CB 4.12Å; F341-V352 HydrophobicContact CD2-CG1 3.91Å; F341-V352 PolarHBondContact N-O 3.2Å; F341-V352 WeakPolarHBondContact O-CB 3.48Å; F341-V352 PolarHBondContact O-N 3.32Å
342	S	94.5	Very high	94.7	Very high	6 Å²	6	38.6 Å²	38.6	4%	0.042	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	138.7	169.8	79.1	0	0	0	0	110.9	T270 K325 Y350	T270-S342 PolarHBondContact N-O 2.94Å; T270-S342 VanDerWaalsContact N-O 3.1Å; T270-S342 PolarHBondContact OG1-N 2.93Å; K325-S342 VanDerWaalsContact CE-OG 3.25Å; K325-S342 WeakPolarHBondContact CE-OG 3.45Å; S342-Y350 WeakPolarHBondContact CA-O 3.32Å
343	F	95.1	Very high	94.9	Very high	14 Å²	14	34.7 Å²	34.7	6%	0.061	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	169.6	179.8	56.3	-91.1	0	0	0	112.9	N269 A271 C272 L273 F276 M304 Y350 V352	N269-F343 HydrophobicContact CB-CB 3.86Å; N269-F343 WeakPolarHBondContact OD1-CA 3.42Å; N269-F343 WeakPolarHBondContact OD1-CB 3.41Å; A271-F343 HydrophobicContact CB-CD1 4.01Å; A271-F343 HydrophobicContact CB-CE1 4.08Å; A271-F343 WeakPolarHBondContact O-CB 3.11Å; A271-F343 WeakPolarHBondContact O-CD1 3.37Å; A271-F343 VanDerWaalsContact O-CG 3.23Å; A271-F343 WeakPolarHBondContact O-CG 3.47Å; C272-F343 WeakPolarHBondContact O-CZ 3.33Å; L273-F343 HydrophobicContact CB-CE2 4Å; L273-F343 HydrophobicContact CB-CZ 4.48Å; L273-F343 HydrophobicContact CD1-CE2 4.44Å; L273-F343 HydrophobicContact CD1-CZ 4.49Å; F276-F343 HydrophobicContact CD2-CE1 4.33Å; F276-F343 HydrophobicContact CD2-CZ 4.25Å; F276-F343 AromaticContact CE2-CE1 3.72Å; F276-F343 HydrophobicContact CE2-CE1 3.72Å; F276-F343 HydrophobicContact CE2-CZ 4.09Å; M304-F343 HydrophobicContact CE-CE1 4.45Å; M304-F343 HydrophobicContact CE-CZ 3.93Å; F343-Y350 AromaticContact CD2-CD2 3.39Å; F343-Y350 HydrophobicContact CD2-CD2 3.39Å; F343-Y350 HydrophobicContact CD2-CE2 4.19Å; F343-Y350 AromaticContact CD2-CG 3.77Å; F343-Y350 HydrophobicContact CD2-CG 3.77Å; F343-Y350 HydrophobicContact CE2-CD1 4.01Å; F343-Y350 AromaticContact CE2-CD2 3.29Å; F343-Y350 HydrophobicContact CE2-CD2 3.29Å; F343-Y350 AromaticContact CE2-CE2 3.91Å; F343-Y350 HydrophobicContact CE2-CE2 3.91Å; F343-Y350 AromaticContact CE2-CG 3.34Å; F343-Y350 HydrophobicContact CE2-CG 3.34Å; F343-Y350 HydrophobicContact CG-CD2 4.4Å; F343-Y350 HydrophobicContact CZ-CD1 4.28Å; F343-Y350 HydrophobicContact CZ-CD2 4.23Å; F343-Y350 AromaticContact CZ-CG 3.83Å; F343-Y350 HydrophobicContact CZ-CG 3.83Å; F343-Y350 PolarHBondContact N-O 3.26Å; F343-Y350 PolarHBondContact O-N 3.39Å; F343-V352 HydrophobicContact CE1-CG2 3.83Å
344	K	94.7	Very high	95	Very high	109 Å²	109	36.9 Å²	36.9	47%	0.474	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	139.4	178.6	64	-165.6	176.3	-173	0	111.4	N269 L349	N269-K344 PolarHBondContact ND2-O 2.91Å; N269-K344 PolarHBondContact OD1-N 2.81Å; K344-L349 HydrophobicContact CB-CD2 3.81Å
345	D	94.7	Very high	95	Very high	52 Å²	52	38.2 Å²	38.2	28%	0.278	20%	0.2	S	C	.	.			trans	-107.6	-168	164.5	73.7	29.2	0	0	0	110	K309 S347 N348 Y350	K309-D345 WeakPolarHBondContact CE-O 3.27Å; K309-D345 PolarHBondContact NZ-O 3.46Å; D345-S347 VanDerWaalsContact C-N 3.34Å; D345-S347 PolarHBondContact O-N 3.31Å; D345-S347 WeakPolarHBondContact OD1-CA 3.23Å; D345-S347 PolarHBondContact OD1-N 2.85Å; D345-N348 PolarHBondContact N-O 2.89Å; D345-N348 VanDerWaalsContact N-O 3.14Å; D345-N348 PolarHBondContact OD1-N 3.48Å; D345-Y350 HydrophobicContact CB-CE2 4.15Å; D345-Y350 WeakPolarHBondContact OD2-CE2 3.16Å; D345-Y350 VanDerWaalsContact OD2-CZ 3.28Å; D345-Y350 PolarHBondContact OD2-OH 2.95Å
346	N	95.1	Very high	94.9	Very high	162 Å²	162	38.6 Å²	38.6	87%	0.866	20%	0.202	S	C	*	.	S	Bend	trans	-64.2	-33.9	179.3	-70.7	-17.3	0	0	0	113.8
347	S	95.2	Very high	94.6	Very high	74 Å²	74	41.7 Å²	41.7	52%	0.517	22%	0.223	S	C	.	.	S	Bend	trans	-102.6	-33.3	-172.8	-57.5	0	0	0	0	114.2	K309 D345	K309-S347 WeakPolarHBondContact CB-O 3.46Å; K309-S347 WeakPolarHBondContact CG-O 3.34Å; K309-S347 PolarHBondContact N-O 3.22Å; D345-S347 VanDerWaalsContact C-N 3.34Å; D345-S347 PolarHBondContact O-N 3.31Å; D345-S347 WeakPolarHBondContact OD1-CA 3.23Å; D345-S347 PolarHBondContact OD1-N 2.85Å
348	N	96.3	Very high	94.3	Very high	36 Å²	36	43.2 Å²	43.2	19%	0.193	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	159.6	-164.9	-57.3	-66.9	0	0	0	113.4	I306 L307 K309 D345 Y350	I306-N348 HydrophobicContact CG2-CB 4.1Å; L307-N348 CarbonylContact O-C 3.59Å; L307-N348 VanDerWaalsContact O-CA 3.24Å; L307-N348 WeakPolarHBondContact O-CA 3.35Å; K309-N348 WeakPolarHBondContact CE-O 3.17Å; D345-N348 PolarHBondContact N-O 2.89Å; D345-N348 VanDerWaalsContact N-O 3.14Å; D345-N348 PolarHBondContact OD1-N 3.48Å; N348-Y350 HydrophobicContact CB-CD2 4.39Å; N348-Y350 HydrophobicContact CB-CE1 4.32Å; N348-Y350 HydrophobicContact CB-CE2 3.67Å; N348-Y350 PolarHBondContact ND2-OH 3.37Å
349	L	95.2	Very high	94.2	Very high	43 Å²	43	41.5 Å²	41.5	23%	0.225	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	143.1	161.7	-55.9	174.7	0	0	0	108.6	L307 K309 T321 K344	L307-L349 HydrophobicContact CB-CB 4.41Å; L307-L349 HydrophobicContact CD1-CB 4.31Å; L307-L349 PolarHBondContact N-O 3.13Å; L307-L349 PolarHBondContact O-N 3.48Å; K309-L349 HydrophobicContact CG-CD2 4.32Å; K309-L349 HydrophobicContact CG-CG 4.05Å; T321-L349 HydrophobicContact CG2-CD1 3.72Å; K344-L349 HydrophobicContact CB-CD2 3.81Å
350	Y	96.1	Very high	94.2	Very high	8 Å²	8	40.4 Å²	40.4	3%	0.031	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	124.5	-179	-59.3	-88.5	0	0	0	110.1	L273 M304 I306 S342 F343 D345 N348	L273-Y350 HydrophobicContact CD1-CD1 4.17Å; L273-Y350 HydrophobicContact CD1-CE1 3.64Å; L273-Y350 HydrophobicContact CD2-CE1 4.43Å; L273-Y350 WeakPolarHBondContact CD2-OH 3.49Å; M304-Y350 HydrophobicContact CG-CD1 4.09Å; M304-Y350 HydrophobicContact SD-CD1 3.73Å; M304-Y350 HydrophobicContact SD-CE1 4.23Å; I306-Y350 HydrophobicContact CB-CD1 4.38Å; I306-Y350 HydrophobicContact CB-CE1 4.32Å; I306-Y350 HydrophobicContact CD1-CE1 4.19Å; I306-Y350 HydrophobicContact CG1-CD1 3.9Å; I306-Y350 HydrophobicContact CG1-CE1 3.93Å; I306-Y350 HydrophobicContact CG2-CD1 4.11Å; I306-Y350 HydrophobicContact CG2-CE1 3.66Å; S342-Y350 WeakPolarHBondContact CA-O 3.32Å; F343-Y350 AromaticContact CD2-CD2 3.39Å; F343-Y350 HydrophobicContact CD2-CD2 3.39Å; F343-Y350 HydrophobicContact CD2-CE2 4.19Å; F343-Y350 AromaticContact CD2-CG 3.77Å; F343-Y350 HydrophobicContact CD2-CG 3.77Å; F343-Y350 HydrophobicContact CE2-CD1 4.01Å; F343-Y350 AromaticContact CE2-CD2 3.29Å; F343-Y350 HydrophobicContact CE2-CD2 3.29Å; F343-Y350 AromaticContact CE2-CE2 3.91Å; F343-Y350 HydrophobicContact CE2-CE2 3.91Å; F343-Y350 AromaticContact CE2-CG 3.34Å; F343-Y350 HydrophobicContact CE2-CG 3.34Å; F343-Y350 HydrophobicContact CG-CD2 4.4Å; F343-Y350 HydrophobicContact CZ-CD1 4.28Å; F343-Y350 HydrophobicContact CZ-CD2 4.23Å; F343-Y350 AromaticContact CZ-CG 3.83Å; F343-Y350 HydrophobicContact CZ-CG 3.83Å; F343-Y350 PolarHBondContact N-O 3.26Å; F343-Y350 PolarHBondContact O-N 3.39Å; D345-Y350 HydrophobicContact CB-CE2 4.15Å; D345-Y350 WeakPolarHBondContact OD2-CE2 3.16Å; D345-Y350 VanDerWaalsContact OD2-CZ 3.28Å; D345-Y350 PolarHBondContact OD2-OH 2.95Å; N348-Y350 HydrophobicContact CB-CD2 4.39Å; N348-Y350 HydrophobicContact CB-CE1 4.32Å; N348-Y350 HydrophobicContact CB-CE2 3.67Å; N348-Y350 PolarHBondContact ND2-OH 3.37Å
351	M	94.9	Very high	94.4	Very high	6 Å²	6	37.2 Å²	37.2	3%	0.03	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	117	170.1	-68.8	-169.5	-76.3	0	0	107.9	M304 K305 L307 E324 K325 L328 M339	M304-M351 CarbonylContact C-O 3.49Å; M304-M351 WeakPolarHBondContact CA-O 3.47Å; K305-M351 HydrophobicContact CB-CB 4.38Å; K305-M351 HydrophobicContact CD-CE 4.17Å; K305-M351 PolarHBondContact N-O 3.07Å; K305-M351 PolarHBondContact O-N 3.09Å; L307-M351 HydrophobicContact CD1-CE 3.73Å; L307-M351 HydrophobicContact CD2-CE 4.44Å; E324-M351 HydrophobicContact CG-CE 4.34Å; K325-M351 HydrophobicContact CB-SD 3.91Å; K325-M351 HydrophobicContact CG-SD 4.31Å; L328-M351 HydrophobicContact CD1-SD 3.99Å; M339-M351 HydrophobicContact SD-CB 3.51Å; M339-M351 VanDerWaalsContact SD-CB 3.51Å; M339-M351 HydrophobicContact SD-CG 3.55Å; M339-M351 VanDerWaalsContact SD-CG 3.55Å; M339-M351 HydrophobicContact SD-SD 4Å
352	V	96	Very high	94.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	100.8	-174.9	-173.4	0	0	0	0	108.7	F276 Y302 M304 T340 F341 F343	F276-V352 HydrophobicContact CE1-CG1 3.93Å; F276-V352 HydrophobicContact CE2-CG2 4.45Å; F276-V352 HydrophobicContact CZ-CG1 4.17Å; F276-V352 HydrophobicContact CZ-CG2 4.15Å; Y302-V352 VanDerWaalsContact CB-CG1 3.45Å; Y302-V352 HydrophobicContact CD1-CG1 4.07Å; Y302-V352 HydrophobicContact CD2-CG1 4.41Å; Y302-V352 HydrophobicContact CG-CG1 3.74Å; M304-V352 HydrophobicContact CE-CG2 3.96Å; M304-V352 HydrophobicContact CG-CG2 4.24Å; T340-V352 PolarHBondContact N-O 2.92Å; F341-V352 HydrophobicContact CB-CB 3.92Å; F341-V352 HydrophobicContact CB-CG2 4.09Å; F341-V352 HydrophobicContact CD2-CB 4.12Å; F341-V352 HydrophobicContact CD2-CG1 3.91Å; F341-V352 PolarHBondContact N-O 3.2Å; F341-V352 WeakPolarHBondContact O-CB 3.48Å; F341-V352 PolarHBondContact O-N 3.32Å; F343-V352 HydrophobicContact CE1-CG2 3.83Å
353	L	95.5	Very high	94.4	Very high	12 Å²	12	39.4 Å²	39.4	6%	0.063	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	156.7	-175.8	-49.4	-179.8	0	0	0	110.5	Y302 A303 L328 V337 M339	Y302-L353 CarbonylContact C-O 3.58Å; Y302-L353 WeakPolarHBondContact CA-O 3.32Å; Y302-L353 WeakPolarHBondContact CB-O 3.24Å; A303-L353 HydrophobicContact CB-CB 4.39Å; A303-L353 PolarHBondContact N-O 3.22Å; A303-L353 WeakPolarHBondContact O-CB 3.45Å; A303-L353 PolarHBondContact O-N 3.35Å; L328-L353 HydrophobicContact CD1-CD2 4.12Å; V337-L353 HydrophobicContact CG1-CB 3.72Å; V337-L353 HydrophobicContact CG1-CD1 4.03Å; V337-L353 HydrophobicContact CG1-CD2 4.41Å; V337-L353 HydrophobicContact CG1-CG 4.26Å; M339-L353 HydrophobicContact CB-CD2 3.68Å; M339-L353 HydrophobicContact CG-CD2 3.88Å; M339-L353 HydrophobicContact SD-CD2 4.27Å
354	E	94.3	Very high	94.4	Very high	47 Å²	47	39.8 Å²	39.8	22%	0.22	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56	141.3	168.1	64.4	-175.9	118.6	0	0	111.6	V337 N338 I356 K414	V337-E354 HydrophobicContact CG1-CG 4.12Å; N338-E354 PolarHBondContact N-OE1 3.38Å; N338-E354 PolarHBondContact O-N 2.6Å; N338-E354 VanDerWaalsContact O-N 3.12Å; E354-I356 HydrophobicContact CG-CD1 3.74Å; E354-I356 HydrophobicContact CG-CG1 4.33Å; E354-I356 PolarHBondContact O-N 2.78Å; E354-I356 WeakPolarHBondContact OE2-CD1 3.34Å; E354-K414 VanDerWaalsContact CD-NZ 3.31Å; E354-K414 WeakPolarHBondContact OE1-CE 3.42Å; E354-K414 IonicContact OE1-NZ 3.19Å; E354-K414 PolarHBondContact OE1-NZ 2.88Å; E354-K414 VanDerWaalsContact OE2-CE 3.24Å; E354-K414 WeakPolarHBondContact OE2-CE 3.35Å; E354-K414 IonicContact OE2-NZ 3.84Å; E354-K414 PolarHBondContact OE2-NZ 3.21Å
355	F	95.2	Very high	94.4	Very high	60 Å²	60	34.7 Å²	34.7	26%	0.263	20%	0.201	S	C	.	.			trans	-88.3	110.6	178	175.9	-113.3	0	0	0	111.4	M44 L282 L292	M44-F355 HydrophobicContact CE-CE2 3.87Å; M44-F355 HydrophobicContact CE-CZ 4.29Å; L282-F355 HydrophobicContact CD1-CD2 3.87Å; L282-F355 HydrophobicContact CD1-CE2 3.71Å; L282-F355 HydrophobicContact CD2-CE2 4.11Å; L292-F355 HydrophobicContact CD1-CB 4.43Å; L292-F355 HydrophobicContact CD1-CD1 3.92Å; L292-F355 HydrophobicContact CD1-CD2 3.8Å; L292-F355 HydrophobicContact CD1-CE1 4.12Å; L292-F355 HydrophobicContact CD1-CE2 4.01Å; L292-F355 HydrophobicContact CD1-CG 3.76Å; L292-F355 HydrophobicContact CD1-CZ 4.17Å
356	I	94.7	Very high	94.5	Very high	9 Å²	9	37.8 Å²	37.8	5%	0.046	21%	0.209	C	C	.	.			trans	-91.9	116.6	177	-52.3	-52	0	0	0	109.8	V337 E354 L406 I407 D408 K414	V337-I356 HydrophobicContact CG2-CG1 4.31Å; E354-I356 HydrophobicContact CG-CD1 3.74Å; E354-I356 HydrophobicContact CG-CG1 4.33Å; E354-I356 PolarHBondContact O-N 2.78Å; E354-I356 WeakPolarHBondContact OE2-CD1 3.34Å; I356-L406 HydrophobicContact CB-CB 3.91Å; I356-L406 HydrophobicContact CB-CD1 3.94Å; I356-L406 HydrophobicContact CG1-CB 4.32Å; I356-L406 HydrophobicContact CG1-CD1 4.09Å; I356-L406 HydrophobicContact CG2-CB 3.6Å; I356-I407 VanDerWaalsContact CG2-C 3.4Å; I356-I407 WeakPolarHBondContact CG2-O 3.49Å; I356-D408 HydrophobicContact CG2-CB 4.18Å; I356-K414 HydrophobicContact CD1-CB 4.11Å; I356-K414 HydrophobicContact CD1-CD 4.24Å; I356-K414 HydrophobicContact CD1-CG 3.69Å; I356-K414 HydrophobicContact CG1-CB 3.91Å; I356-K414 HydrophobicContact CG1-CG 4.09Å; I356-K414 HydrophobicContact CG2-CB 4.49Å
357	S	90.9	Very high	94.5	Very high	64 Å²	64	37 Å²	37	45%	0.448	19%	0.194	S	C	.	.	S	Bend	trans	-85.4	-23.7	-163.4	53.3	0	0	0	0	115.9
358	G	88.5	Confident	94.5	Very high	35 Å²	35	36.9 Å²	36.9	36%	0.361	19%	0.187	S	C	.	.	S	Bend	trans	-78.2	-15.9	-178.9	0	0	0	0	0	114.8	H364 I407	G358-H364 PolarHBondContact O-NE2 2.78Å; G358-I407 WeakPolarHBondContact CA-O 3.3Å; G358-I407 PolarHBondContact N-O 3.37Å
359	G	91.3	Very high	94.5	Very high	6 Å²	6	37.1 Å²	37.1	6%	0.062	20%	0.197	C	C	.	.			trans	77.8	-166	-179.9	0	0	0	0	0	114.5	L406 I407	G359-L406 CarbonylContact O-C 3.58Å; G359-L406 WeakPolarHBondContact O-CA 3.21Å; G359-I407 PolarHBondContact O-N 2.83Å
360	E	93.3	Very high	94.6	Very high	3 Å²	3	40.4 Å²	40.4	1%	0.014	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-71.6	138.5	-172.4	-51.3	173.8	123.1	0	0	114	P41 L42 F362 S363 H364 L405 L406	P41-E360 WeakPolarHBondContact CA-OE1 3.39Å; L42-E360 WeakPolarHBondContact CA-OE1 3.29Å; L42-E360 PolarHBondContact N-OE1 3.18Å; L42-E360 VanDerWaalsContact O-CD 3.32Å; E360-F362 HydrophobicContact CB-CB 4.25Å; E360-F362 PolarHBondContact O-N 3.36Å; E360-S363 PolarHBondContact O-N 3Å; E360-S363 VanDerWaalsContact O-N 3.08Å; E360-S363 PolarHBondContact OE2-OG 2.91Å; E360-H364 PolarHBondContact O-CD2 2.8Å; E360-H364 PolarHBondContact O-N 3.17Å; E360-L405 CarbonylContact C-O 3.55Å; E360-L406 HydrophobicContact CG-CD2 4.27Å
361	M	96.3	Very high	94.6	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-54.7	-37	167.4	-178.3	-168.6	-71.9	0	0	111.6	S363 H364 L365 F371 Y379 P402 L405 I407 L413 L460 M464	M361-S363 VanDerWaalsContact C-N 3.28Å; M361-S363 PolarHBondContact O-N 3.32Å; M361-H364 PolarHBondContact O-N 3.01Å; M361-L365 WeakPolarHBondContact O-CB 3.47Å; M361-L365 PolarHBondContact O-N 2.9Å; M361-F371 HydrophobicContact CG-CE2 3.88Å; M361-F371 HydrophobicContact CG-CZ 4.09Å; M361-F371 HydrophobicContact SD-CE2 4.12Å; M361-Y379 HydrophobicContact CE-CD1 4.39Å; M361-Y379 HydrophobicContact CE-CD2 3.73Å; M361-Y379 HydrophobicContact CE-CE2 4.28Å; M361-Y379 HydrophobicContact CE-CG 3.8Å; M361-P402 HydrophobicContact CB-CB 4.34Å; M361-P402 WeakPolarHBondContact CB-O 3.47Å; M361-P402 HydrophobicContact CG-CB 4.35Å; M361-P402 PolarHBondContact N-O 2.65Å; M361-P402 HydrophobicContact SD-CB 4.38Å; M361-L405 HydrophobicContact CB-CB 4Å; M361-L405 WeakPolarHBondContact CB-O 3.49Å; M361-L405 HydrophobicContact CE-CB 4.24Å; M361-L405 HydrophobicContact CE-CD1 3.71Å; M361-L405 PolarHBondContact N-O 3Å; M361-L405 HydrophobicContact SD-CD1 3.93Å; M361-I407 HydrophobicContact CB-CD1 4.29Å; M361-I407 HydrophobicContact CB-CG1 4.47Å; M361-L413 HydrophobicContact CE-CD1 3.69Å; M361-L413 HydrophobicContact CE-CD2 3.6Å; M361-L413 HydrophobicContact CE-CG 4.3Å; M361-L460 HydrophobicContact SD-CD1 4.42Å; M361-M464 HydrophobicContact CE-SD 3.99Å; M361-M464 HydrophobicContact SD-CG 4.09Å; M361-M464 HydrophobicContact SD-SD 3.8Å
362	F	95	Very high	94.7	Very high	45 Å²	45	42.5 Å²	42.5	20%	0.197	22%	0.223	C	C	.	.	H	α-helix	trans	-50.4	-48.8	174.5	-175.4	-88.3	0	0	0	112.1	P41 E360 H364 L365 R366 P402 E403	P41-F362 HydrophobicContact CB-CD1 3.97Å; P41-F362 HydrophobicContact CB-CE1 4.15Å; P41-F362 HydrophobicContact CB-CG 4.47Å; P41-F362 HydrophobicContact CG-CD1 4.23Å; P41-F362 HydrophobicContact CG-CE1 3.89Å; P41-F362 HydrophobicContact CG-CZ 4.33Å; E360-F362 HydrophobicContact CB-CB 4.25Å; E360-F362 PolarHBondContact O-N 3.36Å; F362-H364 VanDerWaalsContact C-N 3.27Å; F362-H364 PolarHBondContact O-N 2.93Å; F362-L365 PolarHBondContact O-N 2.98Å; F362-R366 HydrophobicContact CD1-CG 4.11Å; F362-R366 HydrophobicContact CE1-CG 3.85Å; F362-R366 HydrophobicContact CE2-CG 4.41Å; F362-R366 HydrophobicContact CG-CG 4.48Å; F362-R366 HydrophobicContact CZ-CG 4.02Å; F362-R366 WeakPolarHBondContact O-CB 3.1Å; F362-R366 VanDerWaalsContact O-CG 3.23Å; F362-R366 WeakPolarHBondContact O-CG 3.5Å; F362-R366 PolarHBondContact O-N 3.36Å; F362-P402 HydrophobicContact CB-CB 3.86Å; F362-P402 HydrophobicContact CD2-CB 4.34Å; F362-P402 PolarHBondContact N-O 3.36Å; F362-E403 HydrophobicContact CB-CG 3.96Å; F362-E403 VanDerWaalsContact CD2-CD 3.43Å; F362-E403 HydrophobicContact CD2-CG 3.78Å; F362-E403 HydrophobicContact CE2-CG 4.45Å; F362-E403 HydrophobicContact CG-CG 3.9Å
363	S	94.1	Very high	94.8	Very high	43 Å²	43	44.1 Å²	44.1	30%	0.301	23%	0.231	S	C	.	.	H	α-helix	trans	-71.4	-18.1	-178	-72.3	0	0	0	0	113.6	E360 M361 R367	E360-S363 PolarHBondContact O-N 3Å; E360-S363 VanDerWaalsContact O-N 3.08Å; E360-S363 PolarHBondContact OE2-OG 2.91Å; M361-S363 VanDerWaalsContact C-N 3.28Å; M361-S363 PolarHBondContact O-N 3.32Å; S363-R367 PolarHBondContact O-NH2 3.32Å
364	H	94.6	Very high	94.9	Very high	21 Å²	21	46.1 Å²	46.1	10%	0.097	25%	0.245	C	C	.	.	H	α-helix	trans	-89.1	-47.3	172	-67.4	-74.1	0	0	0	111.8	G358 E360 M361 F362 R366 R367 I368 I548	G358-H364 PolarHBondContact O-NE2 2.78Å; E360-H364 PolarHBondContact O-CD2 2.8Å; E360-H364 PolarHBondContact O-N 3.17Å; M361-H364 PolarHBondContact O-N 3.01Å; F362-H364 VanDerWaalsContact C-N 3.27Å; F362-H364 PolarHBondContact O-N 2.93Å; H364-R366 VanDerWaalsContact C-N 3.35Å; H364-R366 PolarHBondContact O-N 3.34Å; H364-R367 PolarHBondContact CE1-NH2 2.93Å; H364-R367 PolarHBondContact ND1-NH1 3.43Å; H364-R367 PolarHBondContact ND1-NH2 2.99Å; H364-R367 WeakPolarHBondContact O-CB 3.48Å; H364-R367 PolarHBondContact O-N 2.88Å; H364-I368 PolarHBondContact O-N 3.38Å; H364-I548 HydrophobicContact CB-CG2 3.69Å; H364-I548 VanDerWaalsContact ND1-CG2 3.34Å; H364-I548 WeakPolarHBondContact ND1-CG2 3.34Å
365	L	96.3	Very high	95	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.01	24%	0.237	C	C	.	.	H	α-helix	trans	-60.1	-42.7	178.8	-177.8	59.2	0	0	0	111.6	M361 F362 R367 I368 G369 F371 P402 E463	M361-L365 WeakPolarHBondContact O-CB 3.47Å; M361-L365 PolarHBondContact O-N 2.9Å; F362-L365 PolarHBondContact O-N 2.98Å; L365-R367 VanDerWaalsContact C-N 3.27Å; L365-R367 PolarHBondContact O-N 2.98Å; L365-I368 PolarHBondContact O-N 2.83Å; L365-G369 CarbonylContact O-C 3.42Å; L365-G369 WeakPolarHBondContact O-CA 3.31Å; L365-G369 PolarHBondContact O-N 3.27Å; L365-F371 HydrophobicContact CB-CE1 4.23Å; L365-F371 HydrophobicContact CB-CE2 4.24Å; L365-F371 HydrophobicContact CB-CZ 3.78Å; L365-F371 HydrophobicContact CD1-CD1 4.03Å; L365-F371 HydrophobicContact CD1-CD2 4.02Å; L365-F371 HydrophobicContact CD1-CE1 4.01Å; L365-F371 HydrophobicContact CD1-CE2 4Å; L365-F371 HydrophobicContact CD1-CG 4.03Å; L365-F371 HydrophobicContact CD1-CZ 4Å; L365-F371 HydrophobicContact CG-CZ 4.45Å; L365-P402 HydrophobicContact CD2-CG 4.42Å; L365-E463 HydrophobicContact CD2-CG 3.83Å
366	R	95.8	Very high	95.1	Very high	117 Å²	117	41.7 Å²	41.7	44%	0.442	23%	0.225	S	C	.	.	H	α-helix	trans	-67.2	-23.4	175.6	-66.9	-70.5	174.9	-126.1	-9	113.9	F362 H364 E463 G467	F362-R366 HydrophobicContact CD1-CG 4.11Å; F362-R366 HydrophobicContact CE1-CG 3.85Å; F362-R366 HydrophobicContact CE2-CG 4.41Å; F362-R366 HydrophobicContact CG-CG 4.48Å; F362-R366 HydrophobicContact CZ-CG 4.02Å; F362-R366 WeakPolarHBondContact O-CB 3.1Å; F362-R366 VanDerWaalsContact O-CG 3.23Å; F362-R366 WeakPolarHBondContact O-CG 3.5Å; F362-R366 PolarHBondContact O-N 3.36Å; H364-R366 VanDerWaalsContact C-N 3.35Å; H364-R366 PolarHBondContact O-N 3.34Å; R366-E463 IonicContact CZ-OE1 3.55Å; R366-E463 IonicContact NH1-OE1 3.39Å; R366-E463 PolarHBondContact NH1-OE1 3.24Å; R366-E463 IonicContact NH2-OE1 2.85Å; R366-E463 PolarHBondContact NH2-OE1 3.23Å; R366-G467 PolarHBondContact NH1-O 2.73Å
367	R	95.6	Very high	95.3	Very high	146 Å²	146	42.9 Å²	42.9	55%	0.551	23%	0.229	S	C	*	.	H	α-helix	trans	-83.2	-42.3	177.2	-168.5	-162	-44.9	127.5	17.5	112	S363 H364 L365 G369 I548	S363-R367 PolarHBondContact O-NH2 3.32Å; H364-R367 PolarHBondContact CE1-NH2 2.93Å; H364-R367 PolarHBondContact ND1-NH1 3.43Å; H364-R367 PolarHBondContact ND1-NH2 2.99Å; H364-R367 WeakPolarHBondContact O-CB 3.48Å; H364-R367 PolarHBondContact O-N 2.88Å; L365-R367 VanDerWaalsContact C-N 3.27Å; L365-R367 PolarHBondContact O-N 2.98Å; R367-G369 VanDerWaalsContact C-N 3.34Å; R367-I548 PolarHBondContact NH1-OXT 3.04Å
368	I	95	Very high	95.6	Very high	71 Å²	71	40.3 Å²	40.3	36%	0.364	21%	0.209	S	C	.	.	H	α-helix	trans	-82.9	-16.2	-178.9	-66	163.3	0	0	0	111.1	H364 L365 R370 F371 I548	H364-I368 PolarHBondContact O-N 3.38Å; L365-I368 PolarHBondContact O-N 2.83Å; I368-R370 PolarHBondContact O-N 2.75Å; I368-R370 VanDerWaalsContact O-N 3.1Å; I368-F371 HydrophobicContact CB-CE1 4.42Å; I368-F371 HydrophobicContact CD1-CE1 3.99Å; I368-F371 HydrophobicContact CG2-CD1 4.24Å; I368-I548 HydrophobicContact CD1-CG2 3.83Å
369	G	96.6	Very high	96.1	Very high	41 Å²	41	38.7 Å²	38.7	42%	0.423	19%	0.192	S	C	.	.	S	Bend	trans	84.8	-57	-178.9	0	0	0	0	0	111.8	L365 R367 G467	L365-G369 CarbonylContact O-C 3.42Å; L365-G369 WeakPolarHBondContact O-CA 3.31Å; L365-G369 PolarHBondContact O-N 3.27Å; R367-G369 VanDerWaalsContact C-N 3.34Å; G369-G467 WeakPolarHBondContact O-CA 3.35Å
370	R	96.6	Very high	96.4	Very high	113 Å²	113	38.4 Å²	38.4	43%	0.426	19%	0.189	S	C	.	.	S	Bend	trans	-156	148	172.6	68.6	-173	-171.8	77.4	3.1	111.3	I368 A465 H493	I368-R370 PolarHBondContact O-N 2.75Å; I368-R370 VanDerWaalsContact O-N 3.1Å; R370-A465 PolarHBondContact NH1-O 2.98Å; R370-H493 PolarHBondContact NH1-NE2 3.13Å
371	F	97.1	Very high	96.6	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.009	19%	0.189	C	C	.	.			trans	-79.6	160.9	173.3	-57.5	-30.4	0	0	0	111.5	M361 L365 I368 H375 Y379 M464	M361-F371 HydrophobicContact CG-CE2 3.88Å; M361-F371 HydrophobicContact CG-CZ 4.09Å; M361-F371 HydrophobicContact SD-CE2 4.12Å; L365-F371 HydrophobicContact CB-CE1 4.23Å; L365-F371 HydrophobicContact CB-CE2 4.24Å; L365-F371 HydrophobicContact CB-CZ 3.78Å; L365-F371 HydrophobicContact CD1-CD1 4.03Å; L365-F371 HydrophobicContact CD1-CD2 4.02Å; L365-F371 HydrophobicContact CD1-CE1 4.01Å; L365-F371 HydrophobicContact CD1-CE2 4Å; L365-F371 HydrophobicContact CD1-CG 4.03Å; L365-F371 HydrophobicContact CD1-CZ 4Å; L365-F371 HydrophobicContact CG-CZ 4.45Å; I368-F371 HydrophobicContact CB-CE1 4.42Å; I368-F371 HydrophobicContact CD1-CE1 3.99Å; I368-F371 HydrophobicContact CG2-CD1 4.24Å; F371-H375 HydrophobicContact CB-CB 4.2Å; F371-H375 AromaticContact CD1-CE1 3.86Å; F371-H375 AromaticContact CD1-ND1 3.86Å; F371-H375 AromaticContact CG-ND1 3.97Å; F371-Y379 AromaticContact CD2-CD2 3.93Å; F371-Y379 HydrophobicContact CD2-CD2 3.93Å; F371-Y379 AromaticContact CD2-CE2 3.93Å; F371-Y379 HydrophobicContact CD2-CE2 3.93Å; F371-Y379 AromaticContact CE2-CD2 3.8Å; F371-Y379 HydrophobicContact CE2-CD2 3.8Å; F371-Y379 AromaticContact CE2-CE2 3.58Å; F371-Y379 HydrophobicContact CE2-CE2 3.58Å; F371-Y379 HydrophobicContact CZ-CE2 4.08Å; F371-M464 HydrophobicContact CD2-CB 3.89Å; F371-M464 HydrophobicContact CD2-CG 3.85Å; F371-M464 HydrophobicContact CD2-SD 4.08Å; F371-M464 HydrophobicContact CE2-CG 4.12Å; F371-M464 HydrophobicContact CE2-SD 4.3Å; F371-M464 PolarHBondContact N-O 3.41Å
372	S	97.1	Very high	96.7	Very high	56 Å²	56	38.2 Å²	38.2	39%	0.392	19%	0.189	S	C	.	.			trans	-74.1	162.1	168.3	70.4	0	0	0	0	110.4	H375 S376	S372-H375 PolarHBondContact O-N 2.71Å; S372-H375 VanDerWaalsContact OG-CB 3.27Å; S372-H375 WeakPolarHBondContact OG-CB 3.42Å; S372-H375 PolarHBondContact OG-N 3.07Å; S372-S376 WeakPolarHBondContact O-CB 3.45Å; S372-S376 PolarHBondContact O-N 3.03Å; S372-S376 PolarHBondContact O-OG 2.66Å
373	E	97.7	Very high	96.9	Very high	33 Å²	33	36.1 Å²	36.1	15%	0.154	18%	0.179	C	C	.	.	H	α-helix	trans	-61.2	-42.3	176.1	-67.8	-166.9	-155	0	0	113.4	H375 S376 R377 F494 S495 L498 W529	E373-H375 VanDerWaalsContact C-N 3.31Å; E373-H375 PolarHBondContact O-N 3.39Å; E373-S376 PolarHBondContact O-N 3.29Å; E373-R377 WeakPolarHBondContact O-CB 3.33Å; E373-R377 PolarHBondContact O-N 3.41Å; E373-F494 WeakPolarHBondContact OE1-CA 3.34Å; E373-S495 WeakPolarHBondContact OE1-CB 3.33Å; E373-S495 PolarHBondContact OE1-N 3.31Å; E373-S495 PolarHBondContact OE1-OG 3.05Å; E373-S495 WeakPolarHBondContact OE2-CB 3.32Å; E373-S495 PolarHBondContact OE2-OG 3.1Å; E373-L498 VanDerWaalsContact CD-CD2 3.47Å; E373-L498 HydrophobicContact CG-CD2 3.84Å; E373-L498 WeakPolarHBondContact OE1-CD2 3.47Å; E373-W529 HydrophobicContact CB-CZ2 4.23Å; E373-W529 PolarHBondContact OE2-NE1 2.94Å
374	P	97.1	Very high	97.1	Very high	55 Å²	55	34 Å²	34	36%	0.357	17%	0.165	S	C	.	.	H	α-helix	trans	-61.1	-35.2	174.3	-25.6	36.3	0	0	0	114.2	F378 Y546	P374-F378 PolarHBondContact O-N 2.97Å; P374-Y546 HydrophobicContact CB-CE1 4.41Å; P374-Y546 WeakPolarHBondContact CB-OH 3.2Å
375	H	96.1	Very high	97.3	Very high	14 Å²	14	33 Å²	33	7%	0.065	16%	0.16	C	C	.	.	H	α-helix	trans	-73.2	-44	177.1	-171	-179.9	0	0	0	111.4	F371 S372 E373 R377 F378 Y379 Y546	F371-H375 HydrophobicContact CB-CB 4.2Å; F371-H375 AromaticContact CD1-CE1 3.86Å; F371-H375 AromaticContact CD1-ND1 3.86Å; F371-H375 AromaticContact CG-ND1 3.97Å; S372-H375 PolarHBondContact O-N 2.71Å; S372-H375 VanDerWaalsContact OG-CB 3.27Å; S372-H375 WeakPolarHBondContact OG-CB 3.42Å; S372-H375 PolarHBondContact OG-N 3.07Å; E373-H375 VanDerWaalsContact C-N 3.31Å; E373-H375 PolarHBondContact O-N 3.39Å; H375-R377 VanDerWaalsContact C-N 3.29Å; H375-R377 PolarHBondContact O-N 3.48Å; H375-F378 PolarHBondContact O-N 2.88Å; H375-Y379 AromaticContact CD2-CD2 3.92Å; H375-Y379 AromaticContact CD2-CE2 3.32Å; H375-Y379 WeakPolarHBondContact CD2-CE2 3.5Å; H375-Y379 AromaticContact CD2-CZ 3.65Å; H375-Y379 AromaticContact NE2-CE2 3.17Å; H375-Y379 WeakPolarHBondContact NE2-CE2 3.37Å; H375-Y379 AromaticContact NE2-CZ 3.3Å; H375-Y379 VanDerWaalsContact NE2-CZ 3.3Å; H375-Y379 PolarHBondContact NE2-OH 2.88Å; H375-Y379 PolarHBondContact O-N 3.23Å; H375-Y546 HydrophobicContact CB-CD1 4.32Å; H375-Y546 HydrophobicContact CB-CD2 4.02Å; H375-Y546 HydrophobicContact CB-CE2 4.3Å; H375-Y546 HydrophobicContact CB-CG 4.05Å; H375-Y546 AromaticContact CD2-CD2 3.73Å; H375-Y546 AromaticContact CD2-CG 3.89Å; H375-Y546 AromaticContact CG-CD2 3.99Å; H375-Y546 AromaticContact CG-CG 3.88Å
376	S	97.8	Very high	97.3	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-59.8	-38.7	171.9	-55	0	0	0	0	111.8	S372 E373 Y379 A380 M464	S372-S376 WeakPolarHBondContact O-CB 3.45Å; S372-S376 PolarHBondContact O-N 3.03Å; S372-S376 PolarHBondContact O-OG 2.66Å; E373-S376 PolarHBondContact O-N 3.29Å; S376-Y379 PolarHBondContact O-N 2.81Å; S376-A380 WeakPolarHBondContact O-CB 3.24Å; S376-A380 PolarHBondContact O-N 3.09Å; S376-M464 WeakPolarHBondContact O-CE 3.34Å
377	R	98.1	Very high	97.4	Very high	34 Å²	34	27.4 Å²	27.4	13%	0.128	14%	0.139	C	C	.	.	H	α-helix	trans	-66.1	-44.8	177.5	179.2	-173.7	-63	129.2	3.5	112.3	E373 H375 Y379 A380 A381 W529 F530	E373-R377 WeakPolarHBondContact O-CB 3.33Å; E373-R377 PolarHBondContact O-N 3.41Å; H375-R377 VanDerWaalsContact C-N 3.29Å; H375-R377 PolarHBondContact O-N 3.48Å; R377-Y379 VanDerWaalsContact C-N 3.29Å; R377-Y379 PolarHBondContact O-N 2.86Å; R377-A380 PolarHBondContact O-N 3.01Å; R377-A381 WeakPolarHBondContact O-CB 3.22Å; R377-A381 PolarHBondContact O-N 3.03Å; R377-W529 VanDerWaalsContact CA-CH2 3.42Å; R377-W529 HydrophobicContact CB-CE3 4.46Å; R377-W529 HydrophobicContact CB-CH2 3.62Å; R377-W529 HydrophobicContact CB-CZ2 3.98Å; R377-W529 HydrophobicContact CB-CZ3 3.87Å; R377-W529 HydrophobicContact CG-CE3 4.37Å; R377-W529 HydrophobicContact CG-CH2 4.37Å; R377-W529 HydrophobicContact CG-CZ3 4.13Å; R377-W529 VanDerWaalsContact CZ-O 3.28Å; R377-W529 PolarHBondContact NE-O 2.79Å; R377-W529 PolarHBondContact NH2-O 3.07Å; R377-F530 HydrophobicContact CG-CD1 3.95Å; R377-F530 HydrophobicContact CG-CE1 4.16Å
378	F	97.7	Very high	97.5	Very high	10 Å²	10	21.5 Å²	21.5	4%	0.044	12%	0.118	C	C	.	.	H	α-helix	trans	-57.2	-43.3	176.2	169.3	-100.8	0	0	0	111.6	P374 H375 Q382 G411 Y412 I538 V543 Y546	P374-F378 PolarHBondContact O-N 2.97Å; H375-F378 PolarHBondContact O-N 2.88Å; F378-Q382 WeakPolarHBondContact O-CG 3.17Å; F378-Q382 PolarHBondContact O-NE2 2.84Å; F378-G411 WeakPolarHBondContact CE1-O 3.29Å; F378-Y412 AromaticContact CE2-CE1 3.92Å; F378-Y412 HydrophobicContact CE2-CE1 3.92Å; F378-Y412 HydrophobicContact CE2-CE2 4.07Å; F378-Y412 AromaticContact CE2-CZ 3.66Å; F378-Y412 HydrophobicContact CZ-CD1 4.07Å; F378-Y412 AromaticContact CZ-CD2 3.94Å; F378-Y412 HydrophobicContact CZ-CD2 3.94Å; F378-Y412 AromaticContact CZ-CE1 3.91Å; F378-Y412 HydrophobicContact CZ-CE1 3.91Å; F378-Y412 AromaticContact CZ-CE2 3.77Å; F378-Y412 HydrophobicContact CZ-CE2 3.77Å; F378-Y412 HydrophobicContact CZ-CG 4.1Å; F378-Y412 AromaticContact CZ-CZ 3.75Å; F378-I538 HydrophobicContact CD2-CD1 3.63Å; F378-I538 HydrophobicContact CE2-CD1 3.97Å; F378-V543 HydrophobicContact CD2-CG1 4.11Å; F378-V543 HydrophobicContact CE2-CB 4.25Å; F378-V543 HydrophobicContact CE2-CG1 4.17Å; F378-Y546 HydrophobicContact CB-CD2 4.23Å; F378-Y546 HydrophobicContact CB-CE2 3.79Å; F378-Y546 HydrophobicContact CD1-CD2 4.27Å; F378-Y546 HydrophobicContact CG-CD2 4.3Å; F378-Y546 HydrophobicContact CG-CE2 4.2Å
379	Y	98.1	Very high	97.5	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-69.7	-47.1	173.7	-69.6	-30.1	0	0	0	113.1	M361 F371 H375 S376 R377 A381 Q382 I383 L413 M464 I548	M361-Y379 HydrophobicContact CE-CD1 4.39Å; M361-Y379 HydrophobicContact CE-CD2 3.73Å; M361-Y379 HydrophobicContact CE-CE2 4.28Å; M361-Y379 HydrophobicContact CE-CG 3.8Å; F371-Y379 AromaticContact CD2-CD2 3.93Å; F371-Y379 HydrophobicContact CD2-CD2 3.93Å; F371-Y379 AromaticContact CD2-CE2 3.93Å; F371-Y379 HydrophobicContact CD2-CE2 3.93Å; F371-Y379 AromaticContact CE2-CD2 3.8Å; F371-Y379 HydrophobicContact CE2-CD2 3.8Å; F371-Y379 AromaticContact CE2-CE2 3.58Å; F371-Y379 HydrophobicContact CE2-CE2 3.58Å; F371-Y379 HydrophobicContact CZ-CE2 4.08Å; H375-Y379 AromaticContact CD2-CD2 3.92Å; H375-Y379 AromaticContact CD2-CE2 3.32Å; H375-Y379 WeakPolarHBondContact CD2-CE2 3.5Å; H375-Y379 AromaticContact CD2-CZ 3.65Å; H375-Y379 AromaticContact NE2-CE2 3.17Å; H375-Y379 WeakPolarHBondContact NE2-CE2 3.37Å; H375-Y379 AromaticContact NE2-CZ 3.3Å; H375-Y379 VanDerWaalsContact NE2-CZ 3.3Å; H375-Y379 PolarHBondContact NE2-OH 2.88Å; H375-Y379 PolarHBondContact O-N 3.23Å; S376-Y379 PolarHBondContact O-N 2.81Å; R377-Y379 VanDerWaalsContact C-N 3.29Å; R377-Y379 PolarHBondContact O-N 2.86Å; Y379-A381 VanDerWaalsContact C-N 3.26Å; Y379-A381 PolarHBondContact O-N 3.39Å; Y379-Q382 WeakPolarHBondContact O-CB 3.31Å; Y379-Q382 PolarHBondContact O-N 3.15Å; Y379-Q382 VanDerWaalsContact O-N 3.1Å; Y379-I383 PolarHBondContact O-N 3.1Å; Y379-L413 HydrophobicContact CD1-CD1 3.83Å; Y379-L413 HydrophobicContact CD1-CD2 3.57Å; Y379-L413 HydrophobicContact CD1-CG 3.57Å; Y379-L413 HydrophobicContact CE1-CD2 3.71Å; Y379-L413 HydrophobicContact CE1-CG 4.13Å; Y379-L413 HydrophobicContact CG-CD1 4.05Å; Y379-L413 HydrophobicContact CG-CD2 4.24Å; Y379-L413 HydrophobicContact CG-CG 4.28Å; Y379-M464 HydrophobicContact CD2-SD 3.91Å; Y379-M464 HydrophobicContact CG-SD 4.34Å; Y379-I548 VanDerWaalsContact OH-CD1 3.25Å; Y379-I548 WeakPolarHBondContact OH-CD1 3.44Å
380	A	98.6	Very high	97.5	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-58.1	-37.9	178.7	0	0	0	0	0	112.6	S376 R377 Q382 I383 V384 I461 M464 W529 F530	S376-A380 WeakPolarHBondContact O-CB 3.24Å; S376-A380 PolarHBondContact O-N 3.09Å; R377-A380 PolarHBondContact O-N 3.01Å; A380-Q382 VanDerWaalsContact C-N 3.31Å; A380-Q382 PolarHBondContact O-N 2.9Å; A380-I383 PolarHBondContact O-N 2.98Å; A380-V384 WeakPolarHBondContact O-CG2 3.45Å; A380-V384 PolarHBondContact O-N 2.95Å; A380-I461 HydrophobicContact CB-CD1 3.8Å; A380-I461 HydrophobicContact CB-CG1 3.71Å; A380-M464 HydrophobicContact CB-CE 4.34Å; A380-W529 HydrophobicContact CB-CH2 4.47Å; A380-W529 HydrophobicContact CB-CZ3 4.13Å; A380-F530 HydrophobicContact CB-CE1 4.05Å; A380-F530 HydrophobicContact CB-CZ 3.85Å
381	A	98.4	Very high	97.4	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-61.2	-39.3	177.3	0	0	0	0	0	112.3	R377 Y379 V384 L385 F530 T533 W535 I538	R377-A381 WeakPolarHBondContact O-CB 3.22Å; R377-A381 PolarHBondContact O-N 3.03Å; Y379-A381 VanDerWaalsContact C-N 3.26Å; Y379-A381 PolarHBondContact O-N 3.39Å; A381-V384 PolarHBondContact O-N 2.83Å; A381-L385 VanDerWaalsContact O-CG 3.29Å; A381-L385 WeakPolarHBondContact O-CG 3.5Å; A381-L385 PolarHBondContact O-N 2.82Å; A381-L385 VanDerWaalsContact O-N 3.07Å; A381-F530 HydrophobicContact CB-CE1 4.17Å; A381-T533 HydrophobicContact CB-CG2 3.74Å; A381-W535 HydrophobicContact CB-CE3 4.3Å; A381-W535 HydrophobicContact CB-CH2 4.16Å; A381-W535 HydrophobicContact CB-CZ3 3.69Å; A381-I538 HydrophobicContact CB-CG1 4.36Å; A381-I538 HydrophobicContact CB-CG2 4.36Å
382	Q	98.3	Very high	97.2	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-67.2	-40.8	177.3	-65.5	165.6	66.1	0	0	111.4	F335 F378 Y379 A380 L385 A386 Y412 L413 I538	F335-Q382 HydrophobicContact CB-CB 4.49Å; F335-Q382 HydrophobicContact CD1-CB 4.28Å; F335-Q382 HydrophobicContact CD1-CG 4.14Å; F335-Q382 HydrophobicContact CD2-CB 3.75Å; F335-Q382 HydrophobicContact CD2-CG 4.13Å; F335-Q382 WeakPolarHBondContact CD2-O 3.47Å; F335-Q382 HydrophobicContact CE1-CG 3.99Å; F335-Q382 HydrophobicContact CE2-CB 4.05Å; F335-Q382 HydrophobicContact CE2-CG 3.98Å; F335-Q382 HydrophobicContact CG-CB 3.91Å; F335-Q382 HydrophobicContact CG-CG 4.24Å; F335-Q382 HydrophobicContact CZ-CB 4.44Å; F335-Q382 HydrophobicContact CZ-CG 3.91Å; F378-Q382 WeakPolarHBondContact O-CG 3.17Å; F378-Q382 PolarHBondContact O-NE2 2.84Å; Y379-Q382 WeakPolarHBondContact O-CB 3.31Å; Y379-Q382 PolarHBondContact O-N 3.15Å; Y379-Q382 VanDerWaalsContact O-N 3.1Å; A380-Q382 VanDerWaalsContact C-N 3.31Å; A380-Q382 PolarHBondContact O-N 2.9Å; Q382-L385 PolarHBondContact O-N 2.83Å; Q382-A386 VanDerWaalsContact O-CB 3.3Å; Q382-A386 WeakPolarHBondContact O-CB 3.48Å; Q382-A386 PolarHBondContact O-N 3.41Å; Q382-Y412 HydrophobicContact CG-CD1 4.24Å; Q382-Y412 HydrophobicContact CG-CE1 4.44Å; Q382-L413 HydrophobicContact CB-CD1 4.49Å; Q382-I538 HydrophobicContact CG-CG2 3.74Å
383	I	98.6	Very high	96.9	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-66	-40.5	174.7	-52.7	-55.5	0	0	0	111.5	Y379 A380 L385 A386 F387 L400 L405 L413 I415 L457 L460	Y379-I383 PolarHBondContact O-N 3.1Å; A380-I383 PolarHBondContact O-N 2.98Å; I383-L385 PolarHBondContact O-N 3.42Å; I383-A386 PolarHBondContact O-N 2.81Å; I383-F387 HydrophobicContact CG2-CD1 4.36Å; I383-F387 HydrophobicContact CG2-CD2 3.89Å; I383-F387 HydrophobicContact CG2-CE1 4.15Å; I383-F387 HydrophobicContact CG2-CE2 3.63Å; I383-F387 HydrophobicContact CG2-CG 4.26Å; I383-F387 HydrophobicContact CG2-CZ 3.8Å; I383-F387 WeakPolarHBondContact O-CB 3.08Å; I383-F387 WeakPolarHBondContact O-CG 3.4Å; I383-F387 PolarHBondContact O-N 3.45Å; I383-L400 HydrophobicContact CD1-CD1 4.29Å; I383-L400 HydrophobicContact CG2-CD1 3.95Å; I383-L400 HydrophobicContact CG2-CD2 4.04Å; I383-L405 HydrophobicContact CD1-CD1 4.14Å; I383-L405 HydrophobicContact CD1-CD2 3.57Å; I383-L413 HydrophobicContact CD1-CD1 3.82Å; I383-L413 HydrophobicContact CG1-CD1 4.22Å; I383-I415 HydrophobicContact CD1-CD1 3.71Å; I383-I415 HydrophobicContact CD1-CG1 3.87Å; I383-L457 HydrophobicContact CB-CD1 3.99Å; I383-L457 HydrophobicContact CG2-CD1 3.86Å; I383-L460 HydrophobicContact CG1-CD2 4.11Å
384	V	98.6	Very high	96.7	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-58.8	-47.8	175.8	168	0	0	0	0	111.1	A380 A381 F387 E388 W454 L457 V521 I524 K525 F530 W535	A380-V384 WeakPolarHBondContact O-CG2 3.45Å; A380-V384 PolarHBondContact O-N 2.95Å; A381-V384 PolarHBondContact O-N 2.83Å; V384-F387 PolarHBondContact O-N 2.87Å; V384-E388 VanDerWaalsContact O-CB 3.3Å; V384-E388 WeakPolarHBondContact O-CB 3.39Å; V384-E388 PolarHBondContact O-N 2.84Å; V384-W454 HydrophobicContact CG2-CZ3 4.26Å; V384-L457 HydrophobicContact CG2-CD2 3.56Å; V384-V521 HydrophobicContact CG1-CG2 3.98Å; V384-I524 HydrophobicContact CG1-CG2 4.49Å; V384-I524 HydrophobicContact CG2-CG2 3.86Å; V384-K525 HydrophobicContact CG1-CD 4.07Å; V384-K525 HydrophobicContact CG1-CG 3.63Å; V384-F530 HydrophobicContact CG2-CZ 4.15Å; V384-W535 HydrophobicContact CB-CH2 4.16Å; V384-W535 HydrophobicContact CB-CZ3 3.91Å; V384-W535 HydrophobicContact CG1-CH2 3.9Å; V384-W535 HydrophobicContact CG1-CZ3 3.76Å; V384-W535 HydrophobicContact CG2-CH2 4.49Å
385	L	97.7	Very high	96.6	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-65.7	-39.2	178.4	-65.4	166.5	0	0	0	111.9	F246 F333 F335 A381 Q382 I383 E388 Y389 W535 I538	F246-L385 HydrophobicContact CD1-CD2 3.62Å; F246-L385 HydrophobicContact CD2-CD2 4.44Å; F246-L385 HydrophobicContact CE1-CB 4.34Å; F246-L385 HydrophobicContact CE1-CD2 3.22Å; F246-L385 HydrophobicContact CE1-CG 4.36Å; F246-L385 HydrophobicContact CE2-CD2 4.17Å; F246-L385 HydrophobicContact CG-CD2 4.21Å; F246-L385 HydrophobicContact CZ-CB 4.15Å; F246-L385 HydrophobicContact CZ-CD2 3.56Å; F246-L385 HydrophobicContact CZ-CG 4.4Å; F333-L385 HydrophobicContact CE1-CB 4.32Å; F333-L385 HydrophobicContact CZ-CB 4.12Å; F335-L385 HydrophobicContact CD2-CB 4.42Å; F335-L385 HydrophobicContact CE2-CB 4.18Å; F335-L385 HydrophobicContact CE2-CD1 3.88Å; A381-L385 VanDerWaalsContact O-CG 3.29Å; A381-L385 WeakPolarHBondContact O-CG 3.5Å; A381-L385 PolarHBondContact O-N 2.82Å; A381-L385 VanDerWaalsContact O-N 3.07Å; Q382-L385 PolarHBondContact O-N 2.83Å; I383-L385 PolarHBondContact O-N 3.42Å; L385-E388 PolarHBondContact O-N 2.89Å; L385-Y389 WeakPolarHBondContact O-CB 3.27Å; L385-Y389 PolarHBondContact O-N 2.97Å; L385-W535 HydrophobicContact CD1-CE3 4.03Å; L385-W535 HydrophobicContact CD2-CB 4.4Å; L385-W535 HydrophobicContact CD2-CE3 3.77Å; L385-W535 HydrophobicContact CG-CE3 3.78Å; L385-W535 HydrophobicContact CG-CZ3 4.19Å; L385-I538 HydrophobicContact CD1-CB 4.15Å; L385-I538 HydrophobicContact CD1-CG2 3.6Å
386	A	97.6	Very high	96.6	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-66.3	-40	176.8	0	0	0	0	0	113	F333 F335 L336 Q382 I383 L390 I415	F333-A386 HydrophobicContact CD1-CB 4.25Å; F333-A386 HydrophobicContact CE1-CB 4.09Å; F335-A386 HydrophobicContact CB-CB 4.49Å; L336-A386 HydrophobicContact CD2-CB 3.89Å; Q382-A386 VanDerWaalsContact O-CB 3.3Å; Q382-A386 WeakPolarHBondContact O-CB 3.48Å; Q382-A386 PolarHBondContact O-N 3.41Å; I383-A386 PolarHBondContact O-N 2.81Å; A386-L390 WeakPolarHBondContact O-CB 3.46Å; A386-L390 WeakPolarHBondContact O-CG 3.43Å; A386-L390 PolarHBondContact O-N 3.21Å; A386-I415 HydrophobicContact CB-CD1 3.72Å
387	F	98.1	Very high	96.6	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-71.4	-39.4	173.7	-74.1	-8.6	0	0	0	112.1	I383 V384 Y389 L390 H391 Y397 L400 D453 W454 L457	I383-F387 HydrophobicContact CG2-CD1 4.36Å; I383-F387 HydrophobicContact CG2-CD2 3.89Å; I383-F387 HydrophobicContact CG2-CE1 4.15Å; I383-F387 HydrophobicContact CG2-CE2 3.63Å; I383-F387 HydrophobicContact CG2-CG 4.26Å; I383-F387 HydrophobicContact CG2-CZ 3.8Å; I383-F387 WeakPolarHBondContact O-CB 3.08Å; I383-F387 WeakPolarHBondContact O-CG 3.4Å; I383-F387 PolarHBondContact O-N 3.45Å; V384-F387 PolarHBondContact O-N 2.87Å; F387-Y389 VanDerWaalsContact C-N 3.27Å; F387-Y389 PolarHBondContact O-N 3.46Å; F387-L390 HydrophobicContact CD1-CD1 4.46Å; F387-L390 PolarHBondContact O-N 2.91Å; F387-H391 WeakPolarHBondContact O-CB 3.37Å; F387-H391 PolarHBondContact O-CD2 3.05Å; F387-H391 PolarHBondContact O-N 3.43Å; F387-Y397 AromaticContact CE1-CD1 3.99Å; F387-Y397 HydrophobicContact CE1-CD1 3.99Å; F387-Y397 HydrophobicContact CE1-CG 4.23Å; F387-Y397 HydrophobicContact CZ-CD1 4.3Å; F387-L400 HydrophobicContact CE2-CD2 3.93Å; F387-L400 HydrophobicContact CZ-CB 4.07Å; F387-L400 HydrophobicContact CZ-CD1 3.93Å; F387-L400 HydrophobicContact CZ-CD2 3.8Å; F387-L400 HydrophobicContact CZ-CG 4.14Å; F387-D453 HydrophobicContact CD2-CB 3.97Å; F387-D453 HydrophobicContact CE1-CB 4.44Å; F387-D453 HydrophobicContact CE2-CB 3.69Å; F387-D453 WeakPolarHBondContact CE2-O 3.46Å; F387-D453 HydrophobicContact CG-CB 4.46Å; F387-D453 HydrophobicContact CZ-CB 3.92Å; F387-W454 HydrophobicContact CB-CH2 3.5Å; F387-W454 VanDerWaalsContact CB-CH2 3.5Å; F387-W454 HydrophobicContact CB-CZ2 3.98Å; F387-W454 HydrophobicContact CB-CZ3 3.89Å; F387-W454 HydrophobicContact CD2-CE3 4.08Å; F387-W454 HydrophobicContact CD2-CH2 4.38Å; F387-W454 AromaticContact CD2-CZ3 3.93Å; F387-W454 HydrophobicContact CD2-CZ3 3.93Å; F387-W454 HydrophobicContact CG-CH2 4.49Å; F387-W454 HydrophobicContact CG-CZ3 4.45Å; F387-L457 HydrophobicContact CE2-CB 4.32Å
388	E	97	Very high	96.5	Very high	23 Å²	23	7 Å²	7	11%	0.107	4%	0.036	C	C	.	.	H	α-helix	trans	-56.6	-43.3	173.9	-164.9	176.9	-173.9	0	0	111.7	F246 I250 V384 L385 S392 V521 K525	F246-E388 VanDerWaalsContact CE1-OE2 3.31Å; F246-E388 WeakPolarHBondContact CE1-OE2 3.25Å; I250-E388 HydrophobicContact CD1-CB 4.33Å; I250-E388 HydrophobicContact CD1-CG 3.53Å; V384-E388 VanDerWaalsContact O-CB 3.3Å; V384-E388 WeakPolarHBondContact O-CB 3.39Å; V384-E388 PolarHBondContact O-N 2.84Å; L385-E388 PolarHBondContact O-N 2.89Å; E388-S392 PolarHBondContact O-N 2.64Å; E388-V521 HydrophobicContact CB-CG2 4.09Å; E388-V521 HydrophobicContact CG-CB 4.24Å; E388-V521 HydrophobicContact CG-CG1 3.86Å; E388-V521 HydrophobicContact CG-CG2 3.96Å; E388-V521 WeakPolarHBondContact OE1-CG1 3.11Å; E388-K525 IonicContact OE1-NZ 3.85Å; E388-K525 PolarHBondContact OE1-NZ 3.1Å; E388-K525 VanDerWaalsContact OE2-CD 3.31Å; E388-K525 WeakPolarHBondContact OE2-CD 3.48Å; E388-K525 WeakPolarHBondContact OE2-CE 2.93Å; E388-K525 IonicContact OE2-NZ 4Å; E388-K525 PolarHBondContact OE2-NZ 2.82Å
389	Y	95.4	Very high	96.4	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-62.2	-58.2	171.6	166.6	-94.5	0	0	0	112.2	L253 L257 I331 D332 F333 L336 L385 F387 H391 S392 L393	L253-Y389 HydrophobicContact CB-CD2 4.39Å; L253-Y389 HydrophobicContact CB-CE2 4.07Å; L253-Y389 HydrophobicContact CD1-CD2 3.9Å; L253-Y389 HydrophobicContact CD1-CE2 4.04Å; L257-Y389 HydrophobicContact CD1-CE2 3.49Å; L257-Y389 VanDerWaalsContact CD1-CE2 3.49Å; L257-Y389 WeakPolarHBondContact CD1-OH 3.18Å; I331-Y389 WeakPolarHBondContact CA-OH 3.13Å; I331-Y389 HydrophobicContact CB-CE1 4.18Å; I331-Y389 HydrophobicContact CG2-CE1 4.13Å; D332-Y389 PolarHBondContact N-OH 3.22Å; D332-Y389 PolarHBondContact O-OH 3.1Å; D332-Y389 VanDerWaalsContact O-OH 3.11Å; F333-Y389 HydrophobicContact CB-CD1 3.95Å; F333-Y389 HydrophobicContact CB-CD2 4.46Å; F333-Y389 HydrophobicContact CB-CE1 3.82Å; F333-Y389 HydrophobicContact CB-CE2 4.31Å; F333-Y389 HydrophobicContact CB-CG 4.28Å; F333-Y389 HydrophobicContact CD1-CD1 4.47Å; F333-Y389 HydrophobicContact CD1-CG 4.5Å; F333-Y389 HydrophobicContact CD2-CD1 4.09Å; F333-Y389 AromaticContact CD2-CD2 3.51Å; F333-Y389 HydrophobicContact CD2-CD2 3.51Å; F333-Y389 AromaticContact CD2-CE2 3.99Å; F333-Y389 HydrophobicContact CD2-CE2 3.99Å; F333-Y389 AromaticContact CD2-CG 3.57Å; F333-Y389 HydrophobicContact CD2-CG 3.57Å; F333-Y389 HydrophobicContact CE2-CD2 4.01Å; F333-Y389 AromaticContact CE2-CG 3.97Å; F333-Y389 HydrophobicContact CE2-CG 3.97Å; F333-Y389 AromaticContact CG-CD1 3.92Å; F333-Y389 HydrophobicContact CG-CD1 3.92Å; F333-Y389 HydrophobicContact CG-CD2 4.17Å; F333-Y389 HydrophobicContact CG-CE1 4.29Å; F333-Y389 HydrophobicContact CG-CE2 4.48Å; F333-Y389 AromaticContact CG-CG 3.87Å; F333-Y389 HydrophobicContact CG-CG 3.87Å; L336-Y389 HydrophobicContact CD1-CD1 3.8Å; L336-Y389 HydrophobicContact CD1-CE1 3.59Å; L385-Y389 WeakPolarHBondContact O-CB 3.27Å; L385-Y389 PolarHBondContact O-N 2.97Å; F387-Y389 VanDerWaalsContact C-N 3.27Å; F387-Y389 PolarHBondContact O-N 3.46Å; Y389-H391 VanDerWaalsContact C-N 3.35Å; Y389-H391 PolarHBondContact O-N 2.95Å; Y389-S392 VanDerWaalsContact O-CB 3.31Å; Y389-S392 WeakPolarHBondContact O-CB 3.24Å; Y389-S392 PolarHBondContact O-N 3.46Å; Y389-S392 VanDerWaalsContact O-N 3.07Å; Y389-S392 PolarHBondContact O-OG 3.07Å; Y389-L393 HydrophobicContact CE1-CD1 3.92Å; Y389-L393 HydrophobicContact CE2-CD1 4.29Å
390	L	95.4	Very high	96.4	Very high	3 Å²	3	6.6 Å²	6.6	2%	0.016	3%	0.034	C	C	.	.	H	α-helix	trans	-59.6	-42.7	-177.8	-73.4	173.8	0	0	0	112.5	I331 L336 A386 F387 S392 L393 L395 F418	I331-L390 HydrophobicContact CG2-CD2 4.08Å; L336-L390 HydrophobicContact CD1-CD1 4.36Å; L336-L390 HydrophobicContact CD1-CD2 3.87Å; L336-L390 HydrophobicContact CD1-CG 4.08Å; L336-L390 HydrophobicContact CD2-CD1 4.35Å; A386-L390 WeakPolarHBondContact O-CB 3.46Å; A386-L390 WeakPolarHBondContact O-CG 3.43Å; A386-L390 PolarHBondContact O-N 3.21Å; F387-L390 HydrophobicContact CD1-CD1 4.46Å; F387-L390 PolarHBondContact O-N 2.91Å; L390-S392 PolarHBondContact O-N 3.06Å; L390-L393 WeakPolarHBondContact O-CB 3.19Å; L390-L393 PolarHBondContact O-N 2.76Å; L390-L395 CarbonylContact C-O 3.52Å; L390-L395 HydrophobicContact CB-CB 4.21Å; L390-L395 HydrophobicContact CD2-CB 4.25Å; L390-L395 HydrophobicContact CD2-CD1 3.67Å; L390-L395 WeakPolarHBondContact O-CB 3.38Å; L390-L395 PolarHBondContact O-N 2.62Å; L390-F418 HydrophobicContact CD1-CE1 4.26Å; L390-F418 HydrophobicContact CD2-CE1 4.29Å
391	H	95.3	Very high	96.3	Very high	10 Å²	10	6.8 Å²	6.8	5%	0.046	4%	0.035	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-13.2	179.9	-69.3	-168.5	0	0	0	113.4	F387 Y389 L395 K450 D453 W454	F387-H391 WeakPolarHBondContact O-CB 3.37Å; F387-H391 PolarHBondContact O-CD2 3.05Å; F387-H391 PolarHBondContact O-N 3.43Å; Y389-H391 VanDerWaalsContact C-N 3.35Å; Y389-H391 PolarHBondContact O-N 2.95Å; H391-L395 PolarHBondContact CD2-O 2.84Å; H391-L395 VanDerWaalsContact CD2-O 3.27Å; H391-K450 HydrophobicContact CB-CD 3.72Å; H391-K450 PolarHBondContact CE1-O 2.8Å; H391-K450 PolarHBondContact O-NZ 2.92Å; H391-D453 IonicContact CD2-OD2 2.76Å; H391-D453 IonicContact CE1-OD2 3.07Å; H391-D453 IonicContact NE2-OD2 3.26Å; H391-D453 PolarHBondContact NE2-OD2 2.92Å; H391-W454 AromaticContact CE1-CD1 4Å; H391-W454 AromaticContact CE1-CE2 3.57Å; H391-W454 AromaticContact CE1-CZ2 3.83Å; H391-W454 AromaticContact CE1-NE1 3.36Å; H391-W454 PolarHBondContact CE1-NE1 3.36Å; H391-W454 AromaticContact ND1-CE2 3.51Å; H391-W454 AromaticContact ND1-CZ2 3.51Å; H391-W454 AromaticContact ND1-NE1 3.24Å; H391-W454 PolarHBondContact ND1-NE1 3.01Å
392	S	92.3	Very high	96.2	Very high	21 Å²	21	6.8 Å²	6.8	15%	0.147	4%	0.035	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-23.3	170	84.9	0	0	0	0	112.4	K254 E388 Y389 L390	K254-S392 WeakPolarHBondContact CD-O 3.47Å; K254-S392 VanDerWaalsContact CE-O 3.31Å; K254-S392 WeakPolarHBondContact CE-O 3.49Å; K254-S392 PolarHBondContact NZ-O 2.88Å; E388-S392 PolarHBondContact O-N 2.64Å; Y389-S392 VanDerWaalsContact O-CB 3.31Å; Y389-S392 WeakPolarHBondContact O-CB 3.24Å; Y389-S392 PolarHBondContact O-N 3.46Å; Y389-S392 VanDerWaalsContact O-N 3.07Å; Y389-S392 PolarHBondContact O-OG 3.07Å; L390-S392 PolarHBondContact O-N 3.06Å
393	L	91.3	Very high	96	Very high	7 Å²	7	8.3 Å²	8.3	4%	0.037	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	7.8	179.9	-51.6	172	0	0	0	112.6	K254 L257 I331 Y389 L390 L395 R423	K254-L393 HydrophobicContact CB-CD2 4.28Å; K254-L393 HydrophobicContact CG-CD2 4.16Å; L257-L393 HydrophobicContact CB-CD2 3.92Å; L257-L393 HydrophobicContact CD1-CD1 3.83Å; L257-L393 HydrophobicContact CD1-CD2 3.69Å; L257-L393 HydrophobicContact CD1-CG 4.36Å; L257-L393 HydrophobicContact CG-CD2 4.41Å; I331-L393 HydrophobicContact CG2-CD1 4.28Å; Y389-L393 HydrophobicContact CE1-CD1 3.92Å; Y389-L393 HydrophobicContact CE2-CD1 4.29Å; L390-L393 WeakPolarHBondContact O-CB 3.19Å; L390-L393 PolarHBondContact O-N 2.76Å; L393-L395 HydrophobicContact CB-CD1 4.1Å; L393-L395 HydrophobicContact CB-CG 4.06Å; L393-L395 HydrophobicContact CD1-CD1 4.06Å; L393-L395 PolarHBondContact O-N 3.46Å; L393-R423 PolarHBondContact O-NE 2.78Å; L393-R423 VanDerWaalsContact O-NE 3.11Å
394	D	93.7	Very high	95.9	Very high	48 Å²	48	8.7 Å²	8.7	26%	0.257	5%	0.045	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.2	21.1	-170.2	-45.7	-56.5	0	0	0	113.9	R423 V424	D394-R423 HydrophobicContact CB-CG 4.17Å; D394-R423 CarbonylContact O-C 3.56Å; D394-R423 WeakPolarHBondContact O-CA 3.38Å; D394-R423 IonicContact OD2-NH2 2.7Å; D394-V424 PolarHBondContact O-N 2.96Å
395	L	95	Very high	95.8	Very high	2 Å²	2	8.7 Å²	8.7	1%	0.01	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	130.9	176	-62.6	172.7	0	0	0	110.9	W261 I327 I331 L390 H391 L393 R423	W261-L395 HydrophobicContact CH2-CD2 4.25Å; W261-L395 HydrophobicContact CZ2-CD1 4.35Å; W261-L395 HydrophobicContact CZ2-CD2 4.03Å; I327-L395 HydrophobicContact CD1-CD2 3.86Å; I327-L395 HydrophobicContact CG1-CD2 3.88Å; I327-L395 HydrophobicContact CG2-CD1 4.15Å; I331-L395 HydrophobicContact CG2-CD1 3.94Å; L390-L395 CarbonylContact C-O 3.52Å; L390-L395 HydrophobicContact CB-CB 4.21Å; L390-L395 HydrophobicContact CD2-CB 4.25Å; L390-L395 HydrophobicContact CD2-CD1 3.67Å; L390-L395 WeakPolarHBondContact O-CB 3.38Å; L390-L395 PolarHBondContact O-N 2.62Å; H391-L395 PolarHBondContact CD2-O 2.84Å; H391-L395 VanDerWaalsContact CD2-O 3.27Å; L393-L395 HydrophobicContact CB-CD1 4.1Å; L393-L395 HydrophobicContact CB-CG 4.06Å; L393-L395 HydrophobicContact CD1-CD1 4.06Å; L393-L395 PolarHBondContact O-N 3.46Å; L395-R423 HydrophobicContact CD2-CB 3.75Å; L395-R423 HydrophobicContact CD2-CG 4.07Å
396	I	96.1	Very high	95.8	Very high	3 Å²	3	9.7 Å²	9.7	2%	0.015	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	134.2	166.7	-45.8	173.6	0	0	0	107.5	R398 A421 K422 V424 K450 V452 D453	I396-R398 HydrophobicContact CB-CG 4.06Å; I396-R398 HydrophobicContact CG2-CG 3.5Å; I396-R398 VanDerWaalsContact CG2-CG 3.5Å; I396-A421 CarbonylContact O-C 3.58Å; I396-A421 WeakPolarHBondContact O-CA 3.42Å; I396-K422 PolarHBondContact N-O 3.35Å; I396-K422 PolarHBondContact O-N 2.95Å; I396-V424 HydrophobicContact CD1-CB 3.82Å; I396-V424 HydrophobicContact CD1-CG1 4.21Å; I396-V424 HydrophobicContact CD1-CG2 4.04Å; I396-V424 HydrophobicContact CG1-CB 4.37Å; I396-K450 HydrophobicContact CG1-CB 4.19Å; I396-V452 HydrophobicContact CG2-CG2 3.78Å; I396-D453 WeakPolarHBondContact CG2-OD2 3.38Å
397	Y	97	Very high	95.7	Very high	2 Å²	2	9.8 Å²	9.8	1%	0.008	5%	0.05	C	C	.	.			trans	-88.2	-40.5	-173.5	177.6	-110.2	0	0	0	114	F387 D399 L400 N404 I415 T416 F418 D453	F387-Y397 AromaticContact CE1-CD1 3.99Å; F387-Y397 HydrophobicContact CE1-CD1 3.99Å; F387-Y397 HydrophobicContact CE1-CG 4.23Å; F387-Y397 HydrophobicContact CZ-CD1 4.3Å; Y397-D399 VanDerWaalsContact C-N 3.32Å; Y397-D399 VanDerWaalsContact CE1-C 3.45Å; Y397-D399 WeakPolarHBondContact CE1-O 3.35Å; Y397-D399 PolarHBondContact O-N 3.35Å; Y397-D399 VanDerWaalsContact O-N 3.13Å; Y397-L400 HydrophobicContact CD1-CB 4.2Å; Y397-L400 HydrophobicContact CE1-CB 4.17Å; Y397-L400 HydrophobicContact CE1-CD1 4.44Å; Y397-N404 WeakPolarHBondContact OH-CB 3.45Å; Y397-I415 HydrophobicContact CD2-CG2 4.46Å; Y397-I415 HydrophobicContact CE1-CG2 3.95Å; Y397-I415 HydrophobicContact CE2-CG2 3.73Å; Y397-I415 VanDerWaalsContact CZ-CG2 3.45Å; Y397-I415 WeakPolarHBondContact OH-CG2 3.3Å; Y397-T416 PolarHBondContact OH-O 2.72Å; Y397-F418 HydrophobicContact CD2-CD1 4.09Å; Y397-F418 HydrophobicContact CD2-CE1 4.11Å; Y397-F418 HydrophobicContact CE2-CD1 4.2Å; Y397-F418 HydrophobicContact CE2-CE1 4.28Å; Y397-F418 HydrophobicContact CE2-CG 4.44Å; Y397-D453 PolarHBondContact N-OD1 3.29Å; Y397-D453 PolarHBondContact N-OD2 2.83Å
398	R	96.2	Very high	95.4	Very high	17 Å²	17	11 Å²	11	6%	0.064	6%	0.056	C	C	.	.			trans	67.9	-7.4	167.6	-52.1	-166.7	-66.1	174.8	1.8	119.6	I396 F420 T430 C432 G433 Y448 V452 D453	I396-R398 HydrophobicContact CB-CG 4.06Å; I396-R398 HydrophobicContact CG2-CG 3.5Å; I396-R398 VanDerWaalsContact CG2-CG 3.5Å; R398-F420 HydrophobicContact CB-CB 4.32Å; R398-F420 PolarHBondContact NE-O 3.2Å; R398-F420 PolarHBondContact NH2-O 2.63Å; R398-T430 PolarHBondContact NH1-OG1 3.01Å; R398-C432 VanDerWaalsContact CZ-SG 3.51Å; R398-G433 WeakPolarHBondContact O-CA 3.29Å; R398-Y448 WeakPolarHBondContact CD-OH 3.04Å; R398-Y448 HydrophobicContact CG-CE2 4.47Å; R398-Y448 PolarHBondContact NH1-OH 2.79Å; R398-V452 HydrophobicContact CG-CG2 4.5Å; R398-D453 PolarHBondContact N-OD1 3.02Å
399	D	95.7	Very high	95.1	Very high	2 Å²	2	14.9 Å²	14.9	1%	0.011	9%	0.087	C	C	.	.			trans	-139	51.2	176	-164.7	41.1	0	0	0	113.1	Y397 K401 N404 F420 T434	Y397-D399 VanDerWaalsContact C-N 3.32Å; Y397-D399 VanDerWaalsContact CE1-C 3.45Å; Y397-D399 WeakPolarHBondContact CE1-O 3.35Å; Y397-D399 PolarHBondContact O-N 3.35Å; Y397-D399 VanDerWaalsContact O-N 3.13Å; D399-K401 VanDerWaalsContact CG-NZ 3.33Å; D399-K401 PolarHBondContact O-N 3.06Å; D399-K401 IonicContact OD1-NZ 3.41Å; D399-K401 PolarHBondContact OD1-NZ 3.24Å; D399-K401 WeakPolarHBondContact OD2-CE 3.5Å; D399-K401 IonicContact OD2-NZ 2.59Å; D399-K401 PolarHBondContact OD2-NZ 3.3Å; D399-N404 PolarHBondContact O-ND2 3.13Å; D399-N404 PolarHBondContact OD2-ND2 3.33Å; D399-F420 HydrophobicContact CB-CB 4.28Å; D399-F420 HydrophobicContact CB-CD2 3.47Å; D399-F420 VanDerWaalsContact CB-CD2 3.47Å; D399-F420 HydrophobicContact CB-CE2 4.14Å; D399-F420 HydrophobicContact CB-CG 4.24Å; D399-T434 PolarHBondContact OD1-N 3.14Å; D399-T434 PolarHBondContact OD1-OG1 3.44Å
400	L	98	Very high	94.9	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.005	11%	0.109	C	C	.	.			trans	-71.7	123.3	172.3	-174.4	76.8	0	0	0	110.8	I383 F387 Y397 L405 Y437 A456 L457 L460	I383-L400 HydrophobicContact CD1-CD1 4.29Å; I383-L400 HydrophobicContact CG2-CD1 3.95Å; I383-L400 HydrophobicContact CG2-CD2 4.04Å; F387-L400 HydrophobicContact CE2-CD2 3.93Å; F387-L400 HydrophobicContact CZ-CB 4.07Å; F387-L400 HydrophobicContact CZ-CD1 3.93Å; F387-L400 HydrophobicContact CZ-CD2 3.8Å; F387-L400 HydrophobicContact CZ-CG 4.14Å; Y397-L400 HydrophobicContact CD1-CB 4.2Å; Y397-L400 HydrophobicContact CE1-CB 4.17Å; Y397-L400 HydrophobicContact CE1-CD1 4.44Å; L400-L405 HydrophobicContact CD1-CD1 4.33Å; L400-L405 HydrophobicContact CD1-CD2 4.02Å; L400-L405 HydrophobicContact CD1-CG 4.48Å; L400-Y437 WeakPolarHBondContact O-CD1 3.37Å; L400-Y437 WeakPolarHBondContact O-CE1 3.4Å; L400-A456 HydrophobicContact CB-CB 4.04Å; L400-A456 HydrophobicContact CD2-CB 4.29Å; L400-L457 HydrophobicContact CD2-CB 4.36Å; L400-L460 HydrophobicContact CD1-CD2 4.22Å; L400-L460 HydrophobicContact CD2-CB 4.06Å; L400-L460 HydrophobicContact CD2-CD2 3.84Å; L400-L460 HydrophobicContact CG-CD2 4.11Å
401	K	96.4	Very high	94.8	Very high	3 Å²	3	18.8 Å²	18.8	1%	0.013	11%	0.112	C	C	.	.	S	Bend	trans	-165.4	160.8	175.9	63.6	-162.8	-174.9	-154.9	0	110.4	D399 E403 N404 L405 T434 Y437	D399-K401 VanDerWaalsContact CG-NZ 3.33Å; D399-K401 PolarHBondContact O-N 3.06Å; D399-K401 IonicContact OD1-NZ 3.41Å; D399-K401 PolarHBondContact OD1-NZ 3.24Å; D399-K401 WeakPolarHBondContact OD2-CE 3.5Å; D399-K401 IonicContact OD2-NZ 2.59Å; D399-K401 PolarHBondContact OD2-NZ 3.3Å; K401-E403 WeakPolarHBondContact CB-OE2 3.33Å; K401-E403 HydrophobicContact CG-CB 4.15Å; K401-E403 WeakPolarHBondContact CG-OE2 3.5Å; K401-E403 PolarHBondContact O-N 3.07Å; K401-E403 VanDerWaalsContact O-N 3.12Å; K401-N404 VanDerWaalsContact CE-OD1 3.27Å; K401-N404 WeakPolarHBondContact CE-OD1 3.28Å; K401-N404 HydrophobicContact CG-CB 4.26Å; K401-N404 PolarHBondContact O-N 3Å; K401-N404 VanDerWaalsContact O-N 3.07Å; K401-L405 WeakPolarHBondContact O-CG 3.39Å; K401-T434 HydrophobicContact CD-CG2 4.18Å; K401-T434 WeakPolarHBondContact CD-OG1 3.32Å; K401-T434 PolarHBondContact NZ-OG1 3.28Å; K401-Y437 HydrophobicContact CB-CD2 4.1Å; K401-Y437 HydrophobicContact CB-CE2 3.94Å
402	P	96.8	Very high	94.8	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.006	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-59.6	-22.3	-177	-24.9	35.3	0	0	0	115.2	M361 F362 L365 Y437 L460	M361-P402 HydrophobicContact CB-CB 4.34Å; M361-P402 WeakPolarHBondContact CB-O 3.47Å; M361-P402 HydrophobicContact CG-CB 4.35Å; M361-P402 PolarHBondContact N-O 2.65Å; M361-P402 HydrophobicContact SD-CB 4.38Å; F362-P402 HydrophobicContact CB-CB 3.86Å; F362-P402 HydrophobicContact CD2-CB 4.34Å; F362-P402 PolarHBondContact N-O 3.36Å; L365-P402 HydrophobicContact CD2-CG 4.42Å; P402-Y437 WeakPolarHBondContact CD-OH 3.44Å; P402-L460 HydrophobicContact CG-CD1 3.83Å
403	E	94	Very high	95	Very high	32 Å²	32	17.5 Å²	17.5	15%	0.15	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-69.9	-38.4	175.4	-60.8	91	142.5	0	0	111.8	P41 F362 K401 L405	P41-E403 HydrophobicContact CB-CG 3.85Å; F362-E403 HydrophobicContact CB-CG 3.96Å; F362-E403 VanDerWaalsContact CD2-CD 3.43Å; F362-E403 HydrophobicContact CD2-CG 3.78Å; F362-E403 HydrophobicContact CE2-CG 4.45Å; F362-E403 HydrophobicContact CG-CG 3.9Å; K401-E403 WeakPolarHBondContact CB-OE2 3.33Å; K401-E403 HydrophobicContact CG-CB 4.15Å; K401-E403 WeakPolarHBondContact CG-OE2 3.5Å; K401-E403 PolarHBondContact O-N 3.07Å; K401-E403 VanDerWaalsContact O-N 3.12Å; E403-L405 PolarHBondContact O-N 2.92Å
404	N	96	Very high	95.3	Very high	8 Å²	8	17.8 Å²	17.8	4%	0.043	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-86	9.9	-178.9	-64.6	0.8	0	0	0	112.9	Y397 D399 K401 T416	Y397-N404 WeakPolarHBondContact OH-CB 3.45Å; D399-N404 PolarHBondContact O-ND2 3.13Å; D399-N404 PolarHBondContact OD2-ND2 3.33Å; K401-N404 VanDerWaalsContact CE-OD1 3.27Å; K401-N404 WeakPolarHBondContact CE-OD1 3.28Å; K401-N404 HydrophobicContact CG-CB 4.26Å; K401-N404 PolarHBondContact O-N 3Å; K401-N404 VanDerWaalsContact O-N 3.07Å; N404-T416 PolarHBondContact O-N 3.26Å
405	L	97.4	Very high	95.5	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	103.9	178.9	-62.7	-179	0	0	0	109.7	E360 M361 I383 L400 K401 E403 I415 L460	E360-L405 CarbonylContact C-O 3.55Å; M361-L405 HydrophobicContact CB-CB 4Å; M361-L405 WeakPolarHBondContact CB-O 3.49Å; M361-L405 HydrophobicContact CE-CB 4.24Å; M361-L405 HydrophobicContact CE-CD1 3.71Å; M361-L405 PolarHBondContact N-O 3Å; M361-L405 HydrophobicContact SD-CD1 3.93Å; I383-L405 HydrophobicContact CD1-CD1 4.14Å; I383-L405 HydrophobicContact CD1-CD2 3.57Å; L400-L405 HydrophobicContact CD1-CD1 4.33Å; L400-L405 HydrophobicContact CD1-CD2 4.02Å; L400-L405 HydrophobicContact CD1-CG 4.48Å; K401-L405 WeakPolarHBondContact O-CG 3.39Å; E403-L405 PolarHBondContact O-N 2.92Å; L405-I415 HydrophobicContact CD2-CB 4.24Å; L405-I415 HydrophobicContact CD2-CD1 4.46Å; L405-I415 HydrophobicContact CD2-CG1 3.69Å; L405-I415 HydrophobicContact CD2-CG2 4.32Å; L405-L460 HydrophobicContact CD1-CD1 4.01Å; L405-L460 HydrophobicContact CD1-CD2 3.59Å; L405-L460 HydrophobicContact CD1-CG 4.45Å
406	L	96.2	Very high	95.5	Very high	21 Å²	21	16.2 Å²	16.2	11%	0.11	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	151.7	174.9	-53.5	179.4	0	0	0	110.1	V337 I356 G359 E360 L413 K414 T416	V337-L406 HydrophobicContact CG2-CD1 4.36Å; I356-L406 HydrophobicContact CB-CB 3.91Å; I356-L406 HydrophobicContact CB-CD1 3.94Å; I356-L406 HydrophobicContact CG1-CB 4.32Å; I356-L406 HydrophobicContact CG1-CD1 4.09Å; I356-L406 HydrophobicContact CG2-CB 3.6Å; G359-L406 CarbonylContact O-C 3.58Å; G359-L406 WeakPolarHBondContact O-CA 3.21Å; E360-L406 HydrophobicContact CG-CD2 4.27Å; L406-L413 CarbonylContact O-C 3.57Å; L406-L413 WeakPolarHBondContact O-CA 3.47Å; L406-K414 HydrophobicContact CB-CB 4.41Å; L406-K414 PolarHBondContact N-O 3.4Å; L406-K414 PolarHBondContact O-N 2.88Å; L406-T416 HydrophobicContact CD1-CG2 4.04Å; L406-T416 HydrophobicContact CD2-CG2 4.39Å; L406-T416 HydrophobicContact CG-CG2 3.92Å
407	I	95.4	Very high	95.2	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.005	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	127.2	176.7	-42.7	-172.4	0	0	0	110	I356 G358 G359 M361 Y412 L413 I548	I356-I407 VanDerWaalsContact CG2-C 3.4Å; I356-I407 WeakPolarHBondContact CG2-O 3.49Å; G358-I407 WeakPolarHBondContact CA-O 3.3Å; G358-I407 PolarHBondContact N-O 3.37Å; G359-I407 PolarHBondContact O-N 2.83Å; M361-I407 HydrophobicContact CB-CD1 4.29Å; M361-I407 HydrophobicContact CB-CG1 4.47Å; I407-Y412 CarbonylContact C-O 3.52Å; I407-Y412 WeakPolarHBondContact CA-O 3.47Å; I407-L413 HydrophobicContact CD1-CD2 4.42Å; I407-L413 HydrophobicContact CG1-CD2 3.92Å; I407-I548 HydrophobicContact CD1-CD1 3.94Å; I407-I548 HydrophobicContact CG2-CD1 3.69Å
408	D	92.6	Very high	95	Very high	25 Å²	25	17.8 Å²	17.8	13%	0.134	11%	0.105	C	C	.	.			trans	-81.3	173.6	179.7	73.3	24.3	0	0	0	113.2	I356 T410 G411 Y412 K541	I356-D408 HydrophobicContact CG2-CB 4.18Å; D408-T410 PolarHBondContact O-N 2.91Å; D408-T410 WeakPolarHBondContact OD1-CA 3.4Å; D408-T410 PolarHBondContact OD1-N 2.8Å; D408-T410 PolarHBondContact OD1-OG1 2.94Å; D408-G411 PolarHBondContact O-N 3.31Å; D408-G411 PolarHBondContact OD1-N 3.32Å; D408-G411 VanDerWaalsContact OD1-N 3.09Å; D408-Y412 PolarHBondContact N-O 3.44Å; D408-Y412 PolarHBondContact OD1-N 2.88Å; D408-Y412 WeakPolarHBondContact OD2-CB 3.47Å; D408-K541 IonicContact OD2-NZ 2.68Å; D408-K541 PolarHBondContact OD2-NZ 3.36Å
409	S	89.9	Confident	94.6	Very high	106 Å²	106	17.8 Å²	17.8	74%	0.741	11%	0.11	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-4.3	-178.7	56.2	0	0	0	0	114.7
410	T	91.2	Very high	94.2	Very high	76 Å²	76	18.2 Å²	18.2	47%	0.466	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	6.1	168.3	71.2	0	0	0	0	111.9	D408 Y412 S545	D408-T410 PolarHBondContact O-N 2.91Å; D408-T410 WeakPolarHBondContact OD1-CA 3.4Å; D408-T410 PolarHBondContact OD1-N 2.8Å; D408-T410 PolarHBondContact OD1-OG1 2.94Å; T410-Y412 VanDerWaalsContact C-N 3.33Å; T410-S545 WeakPolarHBondContact O-CB 3.37Å; T410-S545 PolarHBondContact O-OG 3.11Å
411	G	93.6	Very high	94	Very high	8 Å²	8	18.3 Å²	18.3	8%	0.082	11%	0.113	C	C	.	.	S	Bend	trans	82	7.1	178.5	0	0	0	0	0	114.2	F378 D408	F378-G411 WeakPolarHBondContact CE1-O 3.29Å; D408-G411 PolarHBondContact O-N 3.31Å; D408-G411 PolarHBondContact OD1-N 3.32Å; D408-G411 VanDerWaalsContact OD1-N 3.09Å
412	Y	96.4	Very high	93.7	Very high	4 Å²	4	21 Å²	21	2%	0.016	13%	0.125	C	C	.	.			trans	-87.8	157.5	177.6	-87.6	-97	0	0	0	111.7	F335 F378 Q382 I407 D408 T410 I538 K541 V543	F335-Y412 HydrophobicContact CD1-CD1 4.23Å; F335-Y412 AromaticContact CE1-CD1 3.57Å; F335-Y412 HydrophobicContact CE1-CD1 3.57Å; F335-Y412 AromaticContact CE1-CE1 3.98Å; F335-Y412 HydrophobicContact CE1-CE1 3.98Å; F335-Y412 HydrophobicContact CZ-CD1 4.38Å; F335-Y412 HydrophobicContact CZ-CE1 4.39Å; F378-Y412 AromaticContact CE2-CE1 3.92Å; F378-Y412 HydrophobicContact CE2-CE1 3.92Å; F378-Y412 HydrophobicContact CE2-CE2 4.07Å; F378-Y412 AromaticContact CE2-CZ 3.66Å; F378-Y412 HydrophobicContact CZ-CD1 4.07Å; F378-Y412 AromaticContact CZ-CD2 3.94Å; F378-Y412 HydrophobicContact CZ-CD2 3.94Å; F378-Y412 AromaticContact CZ-CE1 3.91Å; F378-Y412 HydrophobicContact CZ-CE1 3.91Å; F378-Y412 AromaticContact CZ-CE2 3.77Å; F378-Y412 HydrophobicContact CZ-CE2 3.77Å; F378-Y412 HydrophobicContact CZ-CG 4.1Å; F378-Y412 AromaticContact CZ-CZ 3.75Å; Q382-Y412 HydrophobicContact CG-CD1 4.24Å; Q382-Y412 HydrophobicContact CG-CE1 4.44Å; I407-Y412 CarbonylContact C-O 3.52Å; I407-Y412 WeakPolarHBondContact CA-O 3.47Å; D408-Y412 PolarHBondContact N-O 3.44Å; D408-Y412 PolarHBondContact OD1-N 2.88Å; D408-Y412 WeakPolarHBondContact OD2-CB 3.47Å; T410-Y412 VanDerWaalsContact C-N 3.33Å; Y412-I538 WeakPolarHBondContact CE1-O 3.31Å; Y412-K541 HydrophobicContact CD1-CD 4.06Å; Y412-K541 HydrophobicContact CD1-CG 3.78Å; Y412-K541 HydrophobicContact CD2-CB 4.31Å; Y412-K541 HydrophobicContact CD2-CD 4.15Å; Y412-K541 HydrophobicContact CD2-CG 4.22Å; Y412-K541 HydrophobicContact CE1-CB 4.22Å; Y412-K541 HydrophobicContact CE1-CG 3.84Å; Y412-K541 HydrophobicContact CE2-CB 4Å; Y412-K541 HydrophobicContact CE2-CG 4.27Å; Y412-K541 HydrophobicContact CG-CD 3.82Å; Y412-K541 HydrophobicContact CG-CG 3.98Å; Y412-K541 WeakPolarHBondContact OH-CA 3.36Å; Y412-V543 PolarHBondContact OH-N 3.39Å; Y412-V543 VanDerWaalsContact OH-N 3.12Å; Y412-V543 PolarHBondContact OH-O 3.38Å
413	L	96.7	Very high	93.4	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	151.5	-177.8	-61.7	-172.3	0	0	0	113.1	F335 M361 Y379 Q382 I383 L406 I407	F335-L413 WeakPolarHBondContact CA-O 3.34Å; M361-L413 HydrophobicContact CE-CD1 3.69Å; M361-L413 HydrophobicContact CE-CD2 3.6Å; M361-L413 HydrophobicContact CE-CG 4.3Å; Y379-L413 HydrophobicContact CD1-CD1 3.83Å; Y379-L413 HydrophobicContact CD1-CD2 3.57Å; Y379-L413 HydrophobicContact CD1-CG 3.57Å; Y379-L413 HydrophobicContact CE1-CD2 3.71Å; Y379-L413 HydrophobicContact CE1-CG 4.13Å; Y379-L413 HydrophobicContact CG-CD1 4.05Å; Y379-L413 HydrophobicContact CG-CD2 4.24Å; Y379-L413 HydrophobicContact CG-CG 4.28Å; Q382-L413 HydrophobicContact CB-CD1 4.49Å; I383-L413 HydrophobicContact CD1-CD1 3.82Å; I383-L413 HydrophobicContact CG1-CD1 4.22Å; L406-L413 CarbonylContact O-C 3.57Å; L406-L413 WeakPolarHBondContact O-CA 3.47Å; I407-L413 HydrophobicContact CD1-CD2 4.42Å; I407-L413 HydrophobicContact CG1-CD2 3.92Å
414	K	97.1	Very high	93.2	Very high	13 Å²	13	25.6 Å²	25.6	6%	0.057	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	103.9	170.5	-81.4	-80	-178.6	169.9	0	108.9	P334 F335 L336 V337 E354 I356 L406	P334-K414 VanDerWaalsContact O-CE 3.31Å; P334-K414 WeakPolarHBondContact O-CE 3.3Å; F335-K414 CarbonylContact O-C 3.53Å; F335-K414 WeakPolarHBondContact O-CA 3.49Å; L336-K414 WeakPolarHBondContact O-CD 3.31Å; L336-K414 WeakPolarHBondContact O-CE 3.43Å; L336-K414 PolarHBondContact O-NZ 2.87Å; V337-K414 HydrophobicContact CG2-CB 3.84Å; V337-K414 HydrophobicContact CG2-CD 4.45Å; E354-K414 VanDerWaalsContact CD-NZ 3.31Å; E354-K414 WeakPolarHBondContact OE1-CE 3.42Å; E354-K414 IonicContact OE1-NZ 3.19Å; E354-K414 PolarHBondContact OE1-NZ 2.88Å; E354-K414 VanDerWaalsContact OE2-CE 3.24Å; E354-K414 WeakPolarHBondContact OE2-CE 3.35Å; E354-K414 IonicContact OE2-NZ 3.84Å; E354-K414 PolarHBondContact OE2-NZ 3.21Å; I356-K414 HydrophobicContact CD1-CB 4.11Å; I356-K414 HydrophobicContact CD1-CD 4.24Å; I356-K414 HydrophobicContact CD1-CG 3.69Å; I356-K414 HydrophobicContact CG1-CB 3.91Å; I356-K414 HydrophobicContact CG1-CG 4.09Å; I356-K414 HydrophobicContact CG2-CB 4.49Å; L406-K414 HydrophobicContact CB-CB 4.41Å; L406-K414 PolarHBondContact N-O 3.4Å; L406-K414 PolarHBondContact O-N 2.88Å
415	I	97.7	Very high	92.8	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	129.3	174.9	-51.7	-175.2	0	0	0	108.9	F335 L336 V337 I383 A386 Y397 L405	F335-I415 WeakPolarHBondContact O-CG1 3.24Å; F335-I415 PolarHBondContact O-N 3.37Å; L336-I415 HydrophobicContact CD2-CB 3.78Å; L336-I415 HydrophobicContact CD2-CD1 3.78Å; L336-I415 HydrophobicContact CD2-CG1 3.98Å; V337-I415 WeakPolarHBondContact CB-O 3.38Å; V337-I415 WeakPolarHBondContact CG2-O 3.4Å; V337-I415 PolarHBondContact N-O 2.7Å; I383-I415 HydrophobicContact CD1-CD1 3.71Å; I383-I415 HydrophobicContact CD1-CG1 3.87Å; A386-I415 HydrophobicContact CB-CD1 3.72Å; Y397-I415 HydrophobicContact CD2-CG2 4.46Å; Y397-I415 HydrophobicContact CE1-CG2 3.95Å; Y397-I415 HydrophobicContact CE2-CG2 3.73Å; Y397-I415 VanDerWaalsContact CZ-CG2 3.45Å; Y397-I415 WeakPolarHBondContact OH-CG2 3.3Å; L405-I415 HydrophobicContact CD2-CB 4.24Å; L405-I415 HydrophobicContact CD2-CD1 4.46Å; L405-I415 HydrophobicContact CD2-CG1 3.69Å; L405-I415 HydrophobicContact CD2-CG2 4.32Å
416	T	94.5	Very high	92.5	Very high	17 Å²	17	34.2 Å²	34.2	10%	0.104	19%	0.193	C	C	.	.			trans	-120.8	-174.9	-179	-159.2	0	0	0	0	112.5	Y397 N404 L406	Y397-T416 PolarHBondContact OH-O 2.72Å; N404-T416 PolarHBondContact O-N 3.26Å; L406-T416 HydrophobicContact CD1-CG2 4.04Å; L406-T416 HydrophobicContact CD2-CG2 4.39Å; L406-T416 HydrophobicContact CG-CG2 3.92Å
417	D	90.3	Very high	92.4	Very high	38 Å²	38	40.8 Å²	40.8	20%	0.203	22%	0.217	C	C	.	.			trans	44.2	85.8	-179.4	-152	10.3	0	0	0	115.3	K305 G419	K305-D417 IonicContact NZ-OD1 2.66Å; K305-D417 PolarHBondContact NZ-OD1 2.79Å; D417-G419 PolarHBondContact O-N 2.85Å
418	F	92.2	Very high	92.2	Very high	1 Å²	1	40.9 Å²	40.9	0%	0.004	22%	0.218	C	C	.	.			trans	-87.1	13.4	179	-73.1	-101.7	0	0	0	112.9	E324 I327 L328 I331 L336 L390 Y397 F420 A421	E324-F418 HydrophobicContact CG-CB 4.03Å; I327-F418 HydrophobicContact CG2-CB 4.46Å; I327-F418 HydrophobicContact CG2-CD1 3.79Å; I327-F418 HydrophobicContact CG2-CE1 4.43Å; I327-F418 HydrophobicContact CG2-CG 4.37Å; L328-F418 HydrophobicContact CD2-CB 4.49Å; L328-F418 HydrophobicContact CD2-CD2 3.55Å; L328-F418 HydrophobicContact CD2-CE2 3.99Å; L328-F418 HydrophobicContact CD2-CG 4.17Å; L328-F418 HydrophobicContact CG-CB 4.34Å; L328-F418 HydrophobicContact CG-CD2 4.29Å; I331-F418 HydrophobicContact CD1-CD1 4.06Å; I331-F418 HydrophobicContact CD1-CD2 4.48Å; I331-F418 HydrophobicContact CD1-CE1 3.47Å; I331-F418 VanDerWaalsContact CD1-CE1 3.47Å; I331-F418 HydrophobicContact CD1-CE2 3.96Å; I331-F418 HydrophobicContact CD1-CZ 3.41Å; I331-F418 VanDerWaalsContact CD1-CZ 3.41Å; L336-F418 HydrophobicContact CB-CZ 4.18Å; L336-F418 HydrophobicContact CD1-CZ 4.24Å; L336-F418 HydrophobicContact CD2-CZ 4.05Å; L336-F418 HydrophobicContact CG-CZ 4.37Å; L390-F418 HydrophobicContact CD1-CE1 4.26Å; L390-F418 HydrophobicContact CD2-CE1 4.29Å; Y397-F418 HydrophobicContact CD2-CD1 4.09Å; Y397-F418 HydrophobicContact CD2-CE1 4.11Å; Y397-F418 HydrophobicContact CE2-CD1 4.2Å; Y397-F418 HydrophobicContact CE2-CE1 4.28Å; Y397-F418 HydrophobicContact CE2-CG 4.44Å; F418-F420 PolarHBondContact O-N 3.17Å; F418-A421 HydrophobicContact CB-CB 4.21Å; F418-A421 HydrophobicContact CD1-CB 3.94Å; F418-A421 WeakPolarHBondContact O-CB 3.45Å; F418-A421 PolarHBondContact O-N 3.28Å
419	G	87.8	Confident	92.2	Very high	16 Å²	16	46 Å²	46	17%	0.165	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-20.3	-177.8	0	0	0	0	0	115.4	D417	D417-G419 PolarHBondContact O-N 2.85Å
420	F	89.1	Confident	92.1	Very high	12 Å²	12	42.2 Å²	42.2	5%	0.053	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105	-8.7	173.7	-66.6	-65.3	0	0	0	114.9	L36 R398 D399 F418 C432	L36-F420 HydrophobicContact CB-CE1 4.27Å; L36-F420 HydrophobicContact CB-CZ 3.68Å; L36-F420 HydrophobicContact CD1-CE1 3.81Å; L36-F420 HydrophobicContact CD1-CE2 4.48Å; L36-F420 HydrophobicContact CD1-CZ 3.58Å; L36-F420 HydrophobicContact CG-CZ 4.29Å; R398-F420 HydrophobicContact CB-CB 4.32Å; R398-F420 PolarHBondContact NE-O 3.2Å; R398-F420 PolarHBondContact NH2-O 2.63Å; D399-F420 HydrophobicContact CB-CB 4.28Å; D399-F420 HydrophobicContact CB-CD2 3.47Å; D399-F420 VanDerWaalsContact CB-CD2 3.47Å; D399-F420 HydrophobicContact CB-CE2 4.14Å; D399-F420 HydrophobicContact CB-CG 4.24Å; F418-F420 PolarHBondContact O-N 3.17Å; F420-C432 HydrophobicContact CD1-CB 3.57Å; F420-C432 HydrophobicContact CE1-CB 3.64Å; F420-C432 HydrophobicContact CG-CB 4.48Å
421	A	92.8	Very high	91.9	Very high	3 Å²	3	41 Å²	41	3%	0.025	20%	0.198	C	C	.	.			trans	-64.5	139.2	-178.3	0	0	0	0	0	110.3	N323 I327 I396 F418	N323-A421 PolarHBondContact ND2-O 2.97Å; I327-A421 HydrophobicContact CD1-CB 3.74Å; I327-A421 WeakPolarHBondContact CD1-O 3.46Å; I396-A421 CarbonylContact O-C 3.58Å; I396-A421 WeakPolarHBondContact O-CA 3.42Å; F418-A421 HydrophobicContact CB-CB 4.21Å; F418-A421 HydrophobicContact CD1-CB 3.94Å; F418-A421 WeakPolarHBondContact O-CB 3.45Å; F418-A421 PolarHBondContact O-N 3.28Å
422	K	90.5	Very high	91.6	Very high	60 Å²	60	41 Å²	41	26%	0.261	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	138.1	177.6	-170.5	170.5	179.6	165.3	0	109.9	D28 I396 V424	D28-K422 IonicContact OD2-NZ 3.77Å; D28-K422 PolarHBondContact OD2-NZ 3.25Å; I396-K422 PolarHBondContact N-O 3.35Å; I396-K422 PolarHBondContact O-N 2.95Å; K422-V424 HydrophobicContact CB-CG2 4.09Å; K422-V424 HydrophobicContact CD-CG2 4.21Å; K422-V424 HydrophobicContact CG-CG2 3.79Å
423	R	90.8	Very high	91.1	Very high	107 Å²	107	41.2 Å²	41.2	40%	0.404	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	120.8	171.7	-161.6	172.9	179.4	-155.4	-10	109.3	L393 D394 L395	L393-R423 PolarHBondContact O-NE 2.78Å; L393-R423 VanDerWaalsContact O-NE 3.11Å; D394-R423 HydrophobicContact CB-CG 4.17Å; D394-R423 CarbonylContact O-C 3.56Å; D394-R423 WeakPolarHBondContact O-CA 3.38Å; D394-R423 IonicContact OD2-NH2 2.7Å; L395-R423 HydrophobicContact CD2-CB 3.75Å; L395-R423 HydrophobicContact CD2-CG 4.07Å
424	V	89.3	Confident	90.8	Very high	22 Å²	22	42.4 Å²	42.4	13%	0.133	21%	0.207	C	C	.	.			trans	-145.5	103.2	-170.6	-178.4	0	0	0	0	109.7	D394 I396 K422 G426 T428	D394-V424 PolarHBondContact O-N 2.96Å; I396-V424 HydrophobicContact CD1-CB 3.82Å; I396-V424 HydrophobicContact CD1-CG1 4.21Å; I396-V424 HydrophobicContact CD1-CG2 4.04Å; I396-V424 HydrophobicContact CG1-CB 4.37Å; K422-V424 HydrophobicContact CB-CG2 4.09Å; K422-V424 HydrophobicContact CD-CG2 4.21Å; K422-V424 HydrophobicContact CG-CG2 3.79Å; V424-G426 VanDerWaalsContact C-N 3.26Å; V424-G426 PolarHBondContact O-N 3.18Å; V424-T428 HydrophobicContact CG2-CG2 4.13Å
425	K	87.9	Confident	90.6	Very high	141 Å²	141	42.3 Å²	42.3	61%	0.613	21%	0.208	S	C	*	.	S	Bend	trans	-63.6	-31.1	173.3	-58.9	172.1	-168.5	165.9	0	112.2	E24	E24-K425 IonicContact OE1-NZ 2.68Å; E24-K425 PolarHBondContact OE1-NZ 3.27Å; E24-K425 IonicContact OE2-NZ 2.72Å; E24-K425 PolarHBondContact OE2-NZ 2.87Å
426	G	91.4	Very high	90.4	Very high	47 Å²	47	44.9 Å²	44.9	49%	0.485	22%	0.22	S	C	.	.	S	Bend	trans	-121.2	-101.5	-172.1	0	0	0	0	0	114.7	V424	V424-G426 VanDerWaalsContact C-N 3.26Å; V424-G426 PolarHBondContact O-N 3.18Å
427	R	92.7	Very high	90.6	Very high	160 Å²	160	44.7 Å²	44.7	60%	0.604	22%	0.217	S	C	*	.			trans	-129	158.9	178.8	-66.1	-177.7	-62.9	176.9	1.2	111.2	W429 G447 Y448	R427-W429 HydrophobicContact CB-CH2 4.01Å; R427-W429 HydrophobicContact CB-CZ2 4.45Å; R427-W429 HydrophobicContact CB-CZ3 4.24Å; R427-W429 WeakPolarHBondContact O-CZ3 3.42Å; R427-G447 WeakPolarHBondContact CD-O 3.43Å; R427-Y448 CarbonylContact C-O 3.52Å; R427-Y448 VanDerWaalsContact CA-O 3.23Å; R427-Y448 WeakPolarHBondContact CA-O 3.24Å
428	T	91.8	Very high	90.9	Very high	3 Å²	3	43.2 Å²	43.2	2%	0.018	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-138.9	165.5	168.7	-167.3	0	0	0	0	110.8	V424 G447 Y448	V424-T428 HydrophobicContact CG2-CG2 4.13Å; T428-G447 CarbonylContact O-C 3.58Å; T428-G447 WeakPolarHBondContact O-CA 3.31Å; T428-Y448 HydrophobicContact CG2-CD2 4.15Å; T428-Y448 HydrophobicContact CG2-CE1 4.27Å; T428-Y448 HydrophobicContact CG2-CE2 3.55Å; T428-Y448 PolarHBondContact N-O 3.43Å; T428-Y448 VanDerWaalsContact O-CD1 3.24Å; T428-Y448 WeakPolarHBondContact O-CD1 3.43Å; T428-Y448 PolarHBondContact O-N 2.91Å
429	W	92.7	Very high	91.1	Very high	131 Å²	131	43.1 Å²	43.1	50%	0.496	21%	0.209	S	C	.	.			trans	-125.2	-5.8	-170.3	-69.7	-105.2	0	0	0	114.4	R427 L431	R427-W429 HydrophobicContact CB-CH2 4.01Å; R427-W429 HydrophobicContact CB-CZ2 4.45Å; R427-W429 HydrophobicContact CB-CZ3 4.24Å; R427-W429 WeakPolarHBondContact O-CZ3 3.42Å; W429-L431 PolarHBondContact O-N 2.9Å
430	T	87.3	Confident	91.5	Very high	28 Å²	28	42.4 Å²	42.4	17%	0.172	20%	0.202	C	C	.	.			trans	-58	124.3	-176.4	-31.3	0	0	0	0	111.5	R398 C432 Y448	R398-T430 PolarHBondContact NH1-OG1 3.01Å; T430-C432 PolarHBondContact O-N 2.68Å; T430-Y448 WeakPolarHBondContact O-CE1 3.41Å; T430-Y448 PolarHBondContact O-OH 3.09Å
431	L	87.7	Confident	91.8	Very high	51 Å²	51	42.1 Å²	42.1	27%	0.267	20%	0.2	S	C	.	.	B	Isolated β-bridge	trans	-80.4	99.3	172.1	176.6	57.8	0	0	0	109.5	L33 H34 I136 W429 L438 I442	L33-L431 HydrophobicContact CD2-CD2 3.87Å; H34-L431 WeakPolarHBondContact CB-O 3.19Å; I136-L431 HydrophobicContact CD1-CD2 4.41Å; W429-L431 PolarHBondContact O-N 2.9Å; L431-L438 HydrophobicContact CD1-CD1 4.14Å; L431-I442 HydrophobicContact CD1-CG2 3.62Å
432	C	86.7	Confident	91.9	Very high	7 Å²	7	42.6 Å²	42.6	5%	0.047	20%	0.202	C	C	.	.			trans	-147.6	168.4	-178.8	60.7	0	0	0	0	111.6	R398 F420 T430 L438	R398-C432 VanDerWaalsContact CZ-SG 3.51Å; F420-C432 HydrophobicContact CD1-CB 3.57Å; F420-C432 HydrophobicContact CE1-CB 3.64Å; F420-C432 HydrophobicContact CG-CB 4.48Å; T430-C432 PolarHBondContact O-N 2.68Å; C432-L438 WeakPolarHBondContact O-CD2 3.42Å
433	G	86.8	Confident	92	Very high	8 Å²	8	40.2 Å²	40.2	8%	0.082	19%	0.192	C	C	.	.	S	Bend	trans	99.1	178.1	-172.7	0	0	0	0	0	113	R398	R398-G433 WeakPolarHBondContact O-CA 3.29Å
434	T	88.9	Confident	92	Very high	25 Å²	25	36.1 Å²	36.1	15%	0.153	18%	0.178	C	C	.	.			trans	-93.9	135.9	-173.3	-59.5	0	0	0	0	111.6	D399 K401 E436 Y437 L438	D399-T434 PolarHBondContact OD1-N 3.14Å; D399-T434 PolarHBondContact OD1-OG1 3.44Å; K401-T434 HydrophobicContact CD-CG2 4.18Å; K401-T434 WeakPolarHBondContact CD-OG1 3.32Å; K401-T434 PolarHBondContact NZ-OG1 3.28Å; T434-E436 PolarHBondContact O-N 2.94Å; T434-E436 VanDerWaalsContact O-N 3.17Å; T434-Y437 PolarHBondContact O-N 3.12Å; T434-L438 WeakPolarHBondContact O-CG 3.22Å; T434-L438 PolarHBondContact O-N 2.85Å
435	P	92.9	Very high	92.1	Very high	12 Å²	12	37.3 Å²	37.3	8%	0.078	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-52.6	-41.9	-164.6	-31.2	37.3	0	0	0	116.9	Y437 P476 I479 Y480 I483	P435-Y437 PolarHBondContact O-N 3.4Å; P435-P476 HydrophobicContact CB-CB 4.16Å; P435-P476 HydrophobicContact CG-CB 4.29Å; P435-P476 HydrophobicContact CG-CG 4.31Å; P435-I479 HydrophobicContact CB-CD1 4.39Å; P435-Y480 HydrophobicContact CB-CE1 3.89Å; P435-I483 WeakPolarHBondContact O-CD1 3.35Å
436	E	95.3	Very high	92.2	Very high	53 Å²	53	36.2 Å²	36.2	25%	0.248	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-66.2	-25.8	180	-66	77	-176.3	0	0	112.6	T434 V459 P469 I479	T434-E436 PolarHBondContact O-N 2.94Å; T434-E436 VanDerWaalsContact O-N 3.17Å; E436-V459 WeakPolarHBondContact O-CG1 3.34Å; E436-P469 HydrophobicContact CB-CB 4.32Å; E436-P469 HydrophobicContact CB-CG 4.34Å; E436-P469 HydrophobicContact CG-CG 4.06Å; E436-I479 HydrophobicContact CG-CD1 4.15Å; E436-I479 WeakPolarHBondContact OE1-CD1 3.42Å
437	Y	97.5	Very high	92.1	Very high	13 Å²	13	34.7 Å²	34.7	5%	0.051	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-100.8	-8.6	-174.5	-76.2	-90.3	0	0	0	113.8	L400 K401 P402 T434 P435 A439 A456 V459 L460 E463	L400-Y437 WeakPolarHBondContact O-CD1 3.37Å; L400-Y437 WeakPolarHBondContact O-CE1 3.4Å; K401-Y437 HydrophobicContact CB-CD2 4.1Å; K401-Y437 HydrophobicContact CB-CE2 3.94Å; P402-Y437 WeakPolarHBondContact CD-OH 3.44Å; T434-Y437 PolarHBondContact O-N 3.12Å; P435-Y437 PolarHBondContact O-N 3.4Å; Y437-A439 PolarHBondContact O-N 2.79Å; Y437-A456 HydrophobicContact CD1-CB 4.15Å; Y437-V459 HydrophobicContact CD1-CB 3.58Å; Y437-V459 HydrophobicContact CD1-CG1 3.48Å; Y437-V459 VanDerWaalsContact CD1-CG1 3.48Å; Y437-V459 HydrophobicContact CD1-CG2 4.47Å; Y437-V459 HydrophobicContact CD2-CG1 4.13Å; Y437-V459 HydrophobicContact CE1-CB 3.62Å; Y437-V459 HydrophobicContact CE1-CG1 3.39Å; Y437-V459 HydrophobicContact CE2-CG1 4.03Å; Y437-V459 HydrophobicContact CG-CB 4.32Å; Y437-V459 HydrophobicContact CG-CG1 3.86Å; Y437-L460 HydrophobicContact CE1-CB 4Å; Y437-E463 PolarHBondContact OH-OE2 3.37Å
438	L	95.9	Very high	92.2	Very high	7 Å²	7	27.3 Å²	27.3	4%	0.037	14%	0.139	C	C	.	.			trans	-64.7	134.1	-179.6	-62	-170.8	0	0	0	111.8	L431 C432 T434 I442 I443 W455 Y480	L431-L438 HydrophobicContact CD1-CD1 4.14Å; C432-L438 WeakPolarHBondContact O-CD2 3.42Å; T434-L438 WeakPolarHBondContact O-CG 3.22Å; T434-L438 PolarHBondContact O-N 2.85Å; L438-I442 HydrophobicContact CD2-CD1 4.34Å; L438-I443 HydrophobicContact CB-CD1 3.94Å; L438-I443 HydrophobicContact CB-CG1 4.02Å; L438-I443 HydrophobicContact CD1-CG1 4.16Å; L438-W455 PolarHBondContact O-NE1 3.39Å; L438-Y480 HydrophobicContact CD1-CE1 3.83Å
439	A	97.1	Very high	92.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.15	C	C	.	.			trans	-74.5	148.2	171.4	0	0	0	0	0	111.2	Y437 E441 I442 I443 V452 W455	Y437-A439 PolarHBondContact O-N 2.79Å; A439-E441 VanDerWaalsContact CB-CD 3.49Å; A439-E441 HydrophobicContact CB-CG 4.36Å; A439-E441 WeakPolarHBondContact CB-OE1 3.41Å; A439-E441 PolarHBondContact O-N 2.82Å; A439-E441 VanDerWaalsContact O-N 3.17Å; A439-I442 HydrophobicContact CB-CD1 4.32Å; A439-I442 HydrophobicContact CB-CG1 4.33Å; A439-I442 WeakPolarHBondContact O-CB 3.43Å; A439-I442 PolarHBondContact O-N 3.5Å; A439-I443 PolarHBondContact O-N 3.35Å; A439-V452 HydrophobicContact CB-CB 4.01Å; A439-V452 HydrophobicContact CB-CG1 3.87Å; A439-W455 HydrophobicContact CB-CB 3.94Å; A439-W455 HydrophobicContact CB-CD2 4.32Å; A439-W455 HydrophobicContact CB-CG 3.78Å
440	P	96.5	Very high	92.6	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.006	14%	0.143	C	C	.	.	H	α-helix	trans	-61.1	-29.1	-174.7	22.7	-33.2	0	0	0	113.3	I443 L444 W455 I483 V484 V508	P440-I443 PolarHBondContact O-N 3.45Å; P440-L444 VanDerWaalsContact O-CB 3.32Å; P440-L444 WeakPolarHBondContact O-CB 3.47Å; P440-L444 WeakPolarHBondContact O-CD1 3.37Å; P440-L444 WeakPolarHBondContact O-CG 3.37Å; P440-L444 PolarHBondContact O-N 3.3Å; P440-W455 HydrophobicContact CG-CE3 4.3Å; P440-W455 HydrophobicContact CG-CH2 4.08Å; P440-W455 HydrophobicContact CG-CZ3 3.93Å; P440-I483 HydrophobicContact CB-CG2 3.94Å; P440-I483 HydrophobicContact CG-CG2 4.49Å; P440-V484 HydrophobicContact CB-CG2 4.49Å; P440-V508 HydrophobicContact CB-CG1 4.18Å; P440-V508 HydrophobicContact CG-CB 4.29Å; P440-V508 HydrophobicContact CG-CG1 3.96Å; P440-V508 HydrophobicContact CG-CG2 4.25Å
441	E	95.7	Very high	93.1	Very high	6 Å²	6	25.5 Å²	25.5	3%	0.028	14%	0.135	C	C	.	.	H	α-helix	trans	-64.9	-35	173.8	60.2	-85.7	-162.1	0	0	113.7	A439 S445 K446 V452 L510 R513	A439-E441 VanDerWaalsContact CB-CD 3.49Å; A439-E441 HydrophobicContact CB-CG 4.36Å; A439-E441 WeakPolarHBondContact CB-OE1 3.41Å; A439-E441 PolarHBondContact O-N 2.82Å; A439-E441 VanDerWaalsContact O-N 3.17Å; E441-S445 PolarHBondContact O-N 3.33Å; E441-K446 HydrophobicContact CB-CB 4.2Å; E441-K446 HydrophobicContact CB-CD 4.46Å; E441-K446 WeakPolarHBondContact O-CB 3.33Å; E441-K446 PolarHBondContact O-N 3.25Å; E441-V452 HydrophobicContact CG-CG1 4.24Å; E441-V452 WeakPolarHBondContact OE1-CG1 3.4Å; E441-L510 HydrophobicContact CB-CD1 4.47Å; E441-L510 HydrophobicContact CG-CD1 4.45Å; E441-R513 IonicContact OE1-CZ 2.83Å; E441-R513 IonicContact OE1-NH1 3.68Å; E441-R513 PolarHBondContact OE1-NH1 2.86Å; E441-R513 IonicContact OE1-NH2 3.78Å; E441-R513 PolarHBondContact OE1-NH2 3.09Å; E441-R513 IonicContact OE2-CZ 3.19Å; E441-R513 IonicContact OE2-NH1 2.71Å; E441-R513 IonicContact OE2-NH2 2.66Å; E441-R513 PolarHBondContact OE2-NH2 3Å
442	I	93.8	Very high	93.6	Very high	12 Å²	12	23.4 Å²	23.4	6%	0.062	12%	0.124	C	C	.	.	H	α-helix	trans	-64.8	-50.8	175	-55.3	176.9	0	0	0	109.2	L431 L438 A439 L444 S445 Y448 V452	L431-I442 HydrophobicContact CD1-CG2 3.62Å; L438-I442 HydrophobicContact CD2-CD1 4.34Å; A439-I442 HydrophobicContact CB-CD1 4.32Å; A439-I442 HydrophobicContact CB-CG1 4.33Å; A439-I442 WeakPolarHBondContact O-CB 3.43Å; A439-I442 PolarHBondContact O-N 3.5Å; I442-L444 VanDerWaalsContact C-N 3.3Å; I442-L444 PolarHBondContact O-N 2.89Å; I442-S445 PolarHBondContact O-N 2.87Å; I442-Y448 HydrophobicContact CB-CD1 4.47Å; I442-Y448 HydrophobicContact CG1-CD1 3.8Å; I442-Y448 HydrophobicContact CG1-CD2 4.36Å; I442-Y448 HydrophobicContact CG1-CE1 4.02Å; I442-Y448 HydrophobicContact CG1-CG 3.98Å; I442-Y448 HydrophobicContact CG2-CE1 4.32Å; I442-V452 HydrophobicContact CD1-CB 4.03Å; I442-V452 HydrophobicContact CD1-CG1 3.82Å; I442-V452 HydrophobicContact CG1-CG1 3.85Å
443	I	92.6	Very high	94.1	Very high	11 Å²	11	23.1 Å²	23.1	6%	0.056	12%	0.122	C	C	.	.	H	α-helix	trans	-59.9	-39.5	-179.6	-68.1	160.1	0	0	0	111.5	I133 L438 A439 P440 S445 Y480 I483 V484	I133-I443 HydrophobicContact CD1-CG2 4.35Å; L438-I443 HydrophobicContact CB-CD1 3.94Å; L438-I443 HydrophobicContact CB-CG1 4.02Å; L438-I443 HydrophobicContact CD1-CG1 4.16Å; A439-I443 PolarHBondContact O-N 3.35Å; P440-I443 PolarHBondContact O-N 3.45Å; I443-S445 PolarHBondContact O-N 2.93Å; I443-Y480 HydrophobicContact CD1-CD1 3.7Å; I443-Y480 HydrophobicContact CD1-CE1 4.47Å; I443-Y480 HydrophobicContact CD1-CG 4.27Å; I443-Y480 HydrophobicContact CG1-CD1 3.87Å; I443-Y480 HydrophobicContact CG1-CE1 4.39Å; I443-Y480 HydrophobicContact CG1-CG 4.26Å; I443-Y480 HydrophobicContact CG2-CG 4.16Å; I443-I483 HydrophobicContact CD1-CB 3.91Å; I443-I483 HydrophobicContact CD1-CD1 3.78Å; I443-I483 HydrophobicContact CD1-CG1 4.45Å; I443-I483 HydrophobicContact CD1-CG2 3.54Å; I443-V484 HydrophobicContact CB-CG2 4.29Å; I443-V484 HydrophobicContact CG2-CG2 3.69Å
444	L	91.4	Very high	94.7	Very high	20 Å²	20	22.9 Å²	22.9	11%	0.105	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	5.1	178.8	-68.8	171.7	0	0	0	114.1	I128 K132 P440 I442 K446 V484	I128-L444 HydrophobicContact CG2-CD2 3.66Å; K132-L444 PolarHBondContact NZ-O 3.38Å; P440-L444 VanDerWaalsContact O-CB 3.32Å; P440-L444 WeakPolarHBondContact O-CB 3.47Å; P440-L444 WeakPolarHBondContact O-CD1 3.37Å; P440-L444 WeakPolarHBondContact O-CG 3.37Å; P440-L444 PolarHBondContact O-N 3.3Å; I442-L444 VanDerWaalsContact C-N 3.3Å; I442-L444 PolarHBondContact O-N 2.89Å; L444-K446 VanDerWaalsContact C-N 3.3Å; L444-K446 HydrophobicContact CB-CD 4.27Å; L444-K446 HydrophobicContact CB-CG 4.15Å; L444-K446 PolarHBondContact O-N 2.89Å; L444-V484 HydrophobicContact CD1-CG1 4.32Å; L444-V484 HydrophobicContact CD2-CG1 4Å; L444-V484 HydrophobicContact CD2-CG2 4.25Å; L444-V484 HydrophobicContact CG-CG1 4.39Å; L444-V484 HydrophobicContact CG-CG2 4.16Å
445	S	90.9	Very high	95.2	Very high	48 Å²	48	21.7 Å²	21.7	34%	0.336	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	42.6	-175.6	-42.6	0	0	0	0	113	E441 I442 I443	E441-S445 PolarHBondContact O-N 3.33Å; I442-S445 PolarHBondContact O-N 2.87Å; I443-S445 PolarHBondContact O-N 2.93Å
446	K	90.2	Very high	95.4	Very high	118 Å²	118	21.4 Å²	21.4	51%	0.513	11%	0.11	S	C	.	.			trans	-96.2	137.6	172.2	-61.1	175.8	-178.8	175.3	0	108.4	E441 L444 Y448	E441-K446 HydrophobicContact CB-CB 4.2Å; E441-K446 HydrophobicContact CB-CD 4.46Å; E441-K446 WeakPolarHBondContact O-CB 3.33Å; E441-K446 PolarHBondContact O-N 3.25Å; L444-K446 VanDerWaalsContact C-N 3.3Å; L444-K446 HydrophobicContact CB-CD 4.27Å; L444-K446 HydrophobicContact CB-CG 4.15Å; L444-K446 PolarHBondContact O-N 2.89Å; K446-Y448 PolarHBondContact O-N 3.46Å
447	G	90.1	Very high	95.6	Very high	15 Å²	15	18.9 Å²	18.9	16%	0.155	10%	0.098	C	C	.	.			trans	-57	122.8	172.3	0	0	0	0	0	110.3	R427 T428	R427-G447 WeakPolarHBondContact CD-O 3.43Å; T428-G447 CarbonylContact O-C 3.58Å; T428-G447 WeakPolarHBondContact O-CA 3.31Å
448	Y	95	Very high	95.7	Very high	4 Å²	4	18.3 Å²	18.3	2%	0.016	10%	0.096	C	C	.	.	B	Isolated β-bridge	trans	-117.3	165.6	-169.3	65.3	-96.1	0	0	0	111.7	R398 R427 T428 T430 I442 K446 V452	R398-Y448 WeakPolarHBondContact CD-OH 3.04Å; R398-Y448 HydrophobicContact CG-CE2 4.47Å; R398-Y448 PolarHBondContact NH1-OH 2.79Å; R427-Y448 CarbonylContact C-O 3.52Å; R427-Y448 VanDerWaalsContact CA-O 3.23Å; R427-Y448 WeakPolarHBondContact CA-O 3.24Å; T428-Y448 HydrophobicContact CG2-CD2 4.15Å; T428-Y448 HydrophobicContact CG2-CE1 4.27Å; T428-Y448 HydrophobicContact CG2-CE2 3.55Å; T428-Y448 PolarHBondContact N-O 3.43Å; T428-Y448 VanDerWaalsContact O-CD1 3.24Å; T428-Y448 WeakPolarHBondContact O-CD1 3.43Å; T428-Y448 PolarHBondContact O-N 2.91Å; T430-Y448 WeakPolarHBondContact O-CE1 3.41Å; T430-Y448 PolarHBondContact O-OH 3.09Å; I442-Y448 HydrophobicContact CB-CD1 4.47Å; I442-Y448 HydrophobicContact CG1-CD1 3.8Å; I442-Y448 HydrophobicContact CG1-CD2 4.36Å; I442-Y448 HydrophobicContact CG1-CE1 4.02Å; I442-Y448 HydrophobicContact CG1-CG 3.98Å; I442-Y448 HydrophobicContact CG2-CE1 4.32Å; K446-Y448 PolarHBondContact O-N 3.46Å; Y448-V452 HydrophobicContact CD2-CB 4.44Å; Y448-V452 HydrophobicContact CD2-CG1 3.52Å; Y448-V452 HydrophobicContact CD2-CG2 4.05Å; Y448-V452 HydrophobicContact CE2-CG1 4.34Å; Y448-V452 HydrophobicContact CE2-CG2 4.24Å; Y448-V452 HydrophobicContact CG-CG1 3.88Å
449	N	95.2	Very high	95.8	Very high	44 Å²	44	18 Å²	18	24%	0.235	9%	0.094	C	C	.	.			trans	-132.7	-164.6	-178.3	73.6	-8.7	0	0	0	110.4	A451 V452 N516	N449-A451 PolarHBondContact O-N 2.82Å; N449-A451 WeakPolarHBondContact OD1-CB 3.39Å; N449-A451 PolarHBondContact OD1-N 2.78Å; N449-V452 WeakPolarHBondContact O-CG2 3.47Å; N449-V452 PolarHBondContact O-N 2.68Å; N449-N516 PolarHBondContact ND2-OD1 2.89Å
450	K	96.9	Very high	95.9	Very high	81 Å²	81	18 Å²	18	35%	0.352	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-10.6	176.9	60.6	176.8	167.1	-167.7	0	116.9	H391 I396 V452 D453	H391-K450 HydrophobicContact CB-CD 3.72Å; H391-K450 PolarHBondContact CE1-O 2.8Å; H391-K450 PolarHBondContact O-NZ 2.92Å; I396-K450 HydrophobicContact CG1-CB 4.19Å; K450-V452 PolarHBondContact O-N 3.36Å; K450-D453 PolarHBondContact O-N 2.73Å
451	A	97.6	Very high	96	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-63	-18.7	173.3	0	0	0	0	0	114.1	N449 W454 W455 L510 R513 N516	N449-A451 PolarHBondContact O-N 2.82Å; N449-A451 WeakPolarHBondContact OD1-CB 3.39Å; N449-A451 PolarHBondContact OD1-N 2.78Å; A451-W454 PolarHBondContact O-N 3.22Å; A451-W455 PolarHBondContact O-N 3.08Å; A451-L510 HydrophobicContact CB-CD2 3.61Å; A451-R513 PolarHBondContact O-NH1 2.83Å; A451-N516 HydrophobicContact CB-CB 3.88Å
452	V	98	Very high	96.1	Very high	6 Å²	6	18 Å²	18	4%	0.036	9%	0.094	C	C	.	.	H	α-helix	trans	-69	-35.9	177.7	-55.8	0	0	0	0	112.4	I396 R398 A439 E441 I442 Y448 N449 K450 W454 W455 A456	I396-V452 HydrophobicContact CG2-CG2 3.78Å; R398-V452 HydrophobicContact CG-CG2 4.5Å; A439-V452 HydrophobicContact CB-CB 4.01Å; A439-V452 HydrophobicContact CB-CG1 3.87Å; E441-V452 HydrophobicContact CG-CG1 4.24Å; E441-V452 WeakPolarHBondContact OE1-CG1 3.4Å; I442-V452 HydrophobicContact CD1-CB 4.03Å; I442-V452 HydrophobicContact CD1-CG1 3.82Å; I442-V452 HydrophobicContact CG1-CG1 3.85Å; Y448-V452 HydrophobicContact CD2-CB 4.44Å; Y448-V452 HydrophobicContact CD2-CG1 3.52Å; Y448-V452 HydrophobicContact CD2-CG2 4.05Å; Y448-V452 HydrophobicContact CE2-CG1 4.34Å; Y448-V452 HydrophobicContact CE2-CG2 4.24Å; Y448-V452 HydrophobicContact CG-CG1 3.88Å; N449-V452 WeakPolarHBondContact O-CG2 3.47Å; N449-V452 PolarHBondContact O-N 2.68Å; K450-V452 PolarHBondContact O-N 3.36Å; V452-W454 VanDerWaalsContact C-N 3.33Å; V452-W454 PolarHBondContact O-N 2.56Å; V452-W455 WeakPolarHBondContact O-CB 3.46Å; V452-W455 PolarHBondContact O-N 3.03Å; V452-A456 PolarHBondContact O-N 3.27Å
453	D	98.5	Very high	96.3	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.005	9%	0.092	C	C	.	.	H	α-helix	trans	-66.6	-37.9	177.7	-68.7	-22.3	0	0	0	110.5	F387 H391 I396 Y397 R398 K450 A456 L457	F387-D453 HydrophobicContact CD2-CB 3.97Å; F387-D453 HydrophobicContact CE1-CB 4.44Å; F387-D453 HydrophobicContact CE2-CB 3.69Å; F387-D453 WeakPolarHBondContact CE2-O 3.46Å; F387-D453 HydrophobicContact CG-CB 4.46Å; F387-D453 HydrophobicContact CZ-CB 3.92Å; H391-D453 IonicContact CD2-OD2 2.76Å; H391-D453 IonicContact CE1-OD2 3.07Å; H391-D453 IonicContact NE2-OD2 3.26Å; H391-D453 PolarHBondContact NE2-OD2 2.92Å; I396-D453 WeakPolarHBondContact CG2-OD2 3.38Å; Y397-D453 PolarHBondContact N-OD1 3.29Å; Y397-D453 PolarHBondContact N-OD2 2.83Å; R398-D453 PolarHBondContact N-OD1 3.02Å; K450-D453 PolarHBondContact O-N 2.73Å; D453-A456 PolarHBondContact O-N 3.45Å; D453-L457 PolarHBondContact O-N 2.94Å
454	W	98.7	Very high	96.6	Very high	4 Å²	4	17.2 Å²	17.2	2%	0.015	9%	0.09	C	C	.	.	H	α-helix	trans	-68.9	-31.4	175.2	-60	122.6	0	0	0	113.3	V384 F387 H391 A451 V452 L457 G458 L505 V521 I524	V384-W454 HydrophobicContact CG2-CZ3 4.26Å; F387-W454 HydrophobicContact CB-CH2 3.5Å; F387-W454 VanDerWaalsContact CB-CH2 3.5Å; F387-W454 HydrophobicContact CB-CZ2 3.98Å; F387-W454 HydrophobicContact CB-CZ3 3.89Å; F387-W454 HydrophobicContact CD2-CE3 4.08Å; F387-W454 HydrophobicContact CD2-CH2 4.38Å; F387-W454 AromaticContact CD2-CZ3 3.93Å; F387-W454 HydrophobicContact CD2-CZ3 3.93Å; F387-W454 HydrophobicContact CG-CH2 4.49Å; F387-W454 HydrophobicContact CG-CZ3 4.45Å; H391-W454 AromaticContact CE1-CD1 4Å; H391-W454 AromaticContact CE1-CE2 3.57Å; H391-W454 AromaticContact CE1-CZ2 3.83Å; H391-W454 AromaticContact CE1-NE1 3.36Å; H391-W454 PolarHBondContact CE1-NE1 3.36Å; H391-W454 AromaticContact ND1-CE2 3.51Å; H391-W454 AromaticContact ND1-CZ2 3.51Å; H391-W454 AromaticContact ND1-NE1 3.24Å; H391-W454 PolarHBondContact ND1-NE1 3.01Å; A451-W454 PolarHBondContact O-N 3.22Å; V452-W454 VanDerWaalsContact C-N 3.33Å; V452-W454 PolarHBondContact O-N 2.56Å; W454-L457 HydrophobicContact CE3-CD2 3.74Å; W454-L457 HydrophobicContact CZ3-CD2 3.88Å; W454-G458 PolarHBondContact O-N 3.46Å; W454-L505 HydrophobicContact CB-CD2 4.43Å; W454-V521 HydrophobicContact CH2-CG2 3.73Å; W454-V521 HydrophobicContact CZ2-CB 4.36Å; W454-V521 HydrophobicContact CZ2-CG2 4.06Å; W454-I524 HydrophobicContact CD2-CD1 3.66Å; W454-I524 HydrophobicContact CE3-CD1 3.28Å; W454-I524 HydrophobicContact CG-CD1 4.28Å; W454-I524 HydrophobicContact CH2-CD1 4.3Å; W454-I524 HydrophobicContact CZ3-CD1 3.64Å
455	W	98.6	Very high	96.9	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-65.5	-48.7	168.1	171	-81.8	0	0	0	110.9	L438 A439 P440 A451 V452 L457 G458 V459 F471 I483 L506 V508	L438-W455 PolarHBondContact O-NE1 3.39Å; A439-W455 HydrophobicContact CB-CB 3.94Å; A439-W455 HydrophobicContact CB-CD2 4.32Å; A439-W455 HydrophobicContact CB-CG 3.78Å; P440-W455 HydrophobicContact CG-CE3 4.3Å; P440-W455 HydrophobicContact CG-CH2 4.08Å; P440-W455 HydrophobicContact CG-CZ3 3.93Å; A451-W455 PolarHBondContact O-N 3.08Å; V452-W455 WeakPolarHBondContact O-CB 3.46Å; V452-W455 PolarHBondContact O-N 3.03Å; W455-L457 VanDerWaalsContact C-N 3.27Å; W455-L457 PolarHBondContact O-N 3.19Å; W455-G458 WeakPolarHBondContact O-CA 3.49Å; W455-G458 PolarHBondContact O-N 2.78Å; W455-V459 PolarHBondContact O-N 3.43Å; W455-F471 HydrophobicContact CH2-CE2 4.01Å; W455-F471 AromaticContact CH2-CZ 3.96Å; W455-F471 HydrophobicContact CH2-CZ 3.96Å; W455-F471 HydrophobicContact CZ2-CD2 4.35Å; W455-F471 AromaticContact CZ2-CE2 3.45Å; W455-F471 HydrophobicContact CZ2-CE2 3.45Å; W455-F471 VanDerWaalsContact CZ2-CE2 3.45Å; W455-F471 AromaticContact CZ2-CZ 3.87Å; W455-F471 HydrophobicContact CZ2-CZ 3.87Å; W455-I483 HydrophobicContact CH2-CG2 4.22Å; W455-I483 HydrophobicContact CZ2-CG1 4.47Å; W455-I483 HydrophobicContact CZ2-CG2 3.69Å; W455-L506 HydrophobicContact CD2-CD2 4.13Å; W455-L506 HydrophobicContact CE3-CD2 4.43Å; W455-L506 HydrophobicContact CZ2-CD2 4.36Å; W455-L506 HydrophobicContact CZ3-CB 4.29Å; W455-L506 WeakPolarHBondContact CZ3-O 3.47Å; W455-V508 HydrophobicContact CH2-CG2 4.43Å; W455-V508 HydrophobicContact CZ3-CG2 4.3Å
456	A	98.6	Very high	97.3	Very high	6 Å²	6	14.5 Å²	14.5	5%	0.05	7%	0.073	C	C	.	.	H	α-helix	trans	-61.3	-34.5	179.3	0	0	0	0	0	112.4	L400 Y437 V452 D453 G458 V459 L460	L400-A456 HydrophobicContact CB-CB 4.04Å; L400-A456 HydrophobicContact CD2-CB 4.29Å; Y437-A456 HydrophobicContact CD1-CB 4.15Å; V452-A456 PolarHBondContact O-N 3.27Å; D453-A456 PolarHBondContact O-N 3.45Å; A456-G458 VanDerWaalsContact C-N 3.33Å; A456-G458 PolarHBondContact O-N 2.71Å; A456-V459 WeakPolarHBondContact O-CB 3.38Å; A456-V459 PolarHBondContact O-N 2.85Å; A456-L460 PolarHBondContact O-N 3.42Å
457	L	98.8	Very high	97.6	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-59.4	-42	169.5	177	65.9	0	0	0	111.8	I383 V384 F387 L400 D453 W454 W455 V459 L460 I461 L505	I383-L457 HydrophobicContact CB-CD1 3.99Å; I383-L457 HydrophobicContact CG2-CD1 3.86Å; V384-L457 HydrophobicContact CG2-CD2 3.56Å; F387-L457 HydrophobicContact CE2-CB 4.32Å; L400-L457 HydrophobicContact CD2-CB 4.36Å; D453-L457 PolarHBondContact O-N 2.94Å; W454-L457 HydrophobicContact CE3-CD2 3.74Å; W454-L457 HydrophobicContact CZ3-CD2 3.88Å; W455-L457 VanDerWaalsContact C-N 3.27Å; W455-L457 PolarHBondContact O-N 3.19Å; L457-V459 VanDerWaalsContact C-N 3.33Å; L457-V459 PolarHBondContact O-N 3.14Å; L457-L460 PolarHBondContact O-N 2.84Å; L457-I461 HydrophobicContact CD1-CD1 3.87Å; L457-I461 HydrophobicContact CD1-CG1 4.06Å; L457-I461 HydrophobicContact CD2-CD1 4.37Å; L457-I461 HydrophobicContact CG-CD1 3.77Å; L457-I461 HydrophobicContact CG-CG1 4.34Å; L457-I461 WeakPolarHBondContact O-CB 3.38Å; L457-I461 VanDerWaalsContact O-CG1 3.26Å; L457-I461 WeakPolarHBondContact O-CG1 3.43Å; L457-I461 PolarHBondContact O-N 3.25Å; L457-L505 HydrophobicContact CD2-CD1 4.37Å; L457-L505 HydrophobicContact CG-CD1 4.36Å
458	G	98.7	Very high	98	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-61	-40.7	173.6	0	0	0	0	0	112.7	W454 W455 A456 Y462 L502	W454-G458 PolarHBondContact O-N 3.46Å; W455-G458 WeakPolarHBondContact O-CA 3.49Å; W455-G458 PolarHBondContact O-N 2.78Å; A456-G458 VanDerWaalsContact C-N 3.33Å; A456-G458 PolarHBondContact O-N 2.71Å; G458-Y462 WeakPolarHBondContact O-CB 3.49Å; G458-Y462 PolarHBondContact O-N 3.41Å; G458-Y462 VanDerWaalsContact O-N 3.11Å; G458-L502 WeakPolarHBondContact O-CD2 3.44Å
459	V	98.7	Very high	98.1	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-64.3	-44.5	175.2	-178.3	0	0	0	0	110.2	E436 Y437 W455 A456 L457 Y462 E463 P469 P470 L506	E436-V459 WeakPolarHBondContact O-CG1 3.34Å; Y437-V459 HydrophobicContact CD1-CB 3.58Å; Y437-V459 HydrophobicContact CD1-CG1 3.48Å; Y437-V459 VanDerWaalsContact CD1-CG1 3.48Å; Y437-V459 HydrophobicContact CD1-CG2 4.47Å; Y437-V459 HydrophobicContact CD2-CG1 4.13Å; Y437-V459 HydrophobicContact CE1-CB 3.62Å; Y437-V459 HydrophobicContact CE1-CG1 3.39Å; Y437-V459 HydrophobicContact CE2-CG1 4.03Å; Y437-V459 HydrophobicContact CG-CB 4.32Å; Y437-V459 HydrophobicContact CG-CG1 3.86Å; W455-V459 PolarHBondContact O-N 3.43Å; A456-V459 WeakPolarHBondContact O-CB 3.38Å; A456-V459 PolarHBondContact O-N 2.85Å; L457-V459 VanDerWaalsContact C-N 3.33Å; L457-V459 PolarHBondContact O-N 3.14Å; V459-Y462 PolarHBondContact O-N 3.09Å; V459-E463 PolarHBondContact O-N 3.45Å; V459-P469 HydrophobicContact CG1-CB 4.3Å; V459-P470 HydrophobicContact CB-CG 4.36Å; V459-P470 HydrophobicContact CG1-CG 4.1Å; V459-P470 HydrophobicContact CG2-CG 4.24Å; V459-L506 HydrophobicContact CG2-CD2 3.64Å
460	L	98.7	Very high	98.2	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-63.8	-46.5	179	-174.6	70.8	0	0	0	112.4	M361 I383 L400 P402 L405 Y437 A456 L457 Y462 E463 M464	M361-L460 HydrophobicContact SD-CD1 4.42Å; I383-L460 HydrophobicContact CG1-CD2 4.11Å; L400-L460 HydrophobicContact CD1-CD2 4.22Å; L400-L460 HydrophobicContact CD2-CB 4.06Å; L400-L460 HydrophobicContact CD2-CD2 3.84Å; L400-L460 HydrophobicContact CG-CD2 4.11Å; P402-L460 HydrophobicContact CG-CD1 3.83Å; L405-L460 HydrophobicContact CD1-CD1 4.01Å; L405-L460 HydrophobicContact CD1-CD2 3.59Å; L405-L460 HydrophobicContact CD1-CG 4.45Å; Y437-L460 HydrophobicContact CE1-CB 4Å; A456-L460 PolarHBondContact O-N 3.42Å; L457-L460 PolarHBondContact O-N 2.84Å; L460-Y462 VanDerWaalsContact C-N 3.32Å; L460-Y462 PolarHBondContact O-N 3.49Å; L460-E463 PolarHBondContact O-N 3.36Å; L460-M464 HydrophobicContact CD2-CE 4.42Å; L460-M464 HydrophobicContact CG-CE 4.14Å; L460-M464 HydrophobicContact CG-CG 4.48Å; L460-M464 HydrophobicContact CG-SD 4.46Å; L460-M464 WeakPolarHBondContact O-CB 3.35Å; L460-M464 WeakPolarHBondContact O-CG 3.34Å; L460-M464 PolarHBondContact O-N 3.07Å
461	I	98.8	Very high	98.2	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-62.4	-42	179.1	-69.6	170.5	0	0	0	110.6	A380 L457 M464 A465 L498 L501 L502 L505 W529	A380-I461 HydrophobicContact CB-CD1 3.8Å; A380-I461 HydrophobicContact CB-CG1 3.71Å; L457-I461 HydrophobicContact CD1-CD1 3.87Å; L457-I461 HydrophobicContact CD1-CG1 4.06Å; L457-I461 HydrophobicContact CD2-CD1 4.37Å; L457-I461 HydrophobicContact CG-CD1 3.77Å; L457-I461 HydrophobicContact CG-CG1 4.34Å; L457-I461 WeakPolarHBondContact O-CB 3.38Å; L457-I461 VanDerWaalsContact O-CG1 3.26Å; L457-I461 WeakPolarHBondContact O-CG1 3.43Å; L457-I461 PolarHBondContact O-N 3.25Å; I461-M464 HydrophobicContact CG1-CE 4.26Å; I461-A465 WeakPolarHBondContact O-CB 3.43Å; I461-A465 PolarHBondContact O-N 2.65Å; I461-L498 HydrophobicContact CG2-CD1 3.53Å; I461-L501 HydrophobicContact CD1-CD2 4.23Å; I461-L502 HydrophobicContact CB-CD2 3.99Å; I461-L502 HydrophobicContact CG2-CD2 3.88Å; I461-L502 HydrophobicContact CG2-CG 4.46Å; I461-L505 HydrophobicContact CD1-CD1 4.03Å; I461-W529 HydrophobicContact CD1-CZ3 4.45Å; I461-W529 HydrophobicContact CG2-CH2 3.98Å; I461-W529 HydrophobicContact CG2-CZ3 4.31Å
462	Y	98.7	Very high	98	Very high	8 Å²	8	14 Å²	14	3%	0.031	7%	0.069	C	C	.	.	H	α-helix	trans	-61.2	-50.2	174	-175.7	-66.8	0	0	0	110.6	G458 V459 L460 M464 A465 A466 Y468 P470 V488 K489 F490 F494 L502	G458-Y462 WeakPolarHBondContact O-CB 3.49Å; G458-Y462 PolarHBondContact O-N 3.41Å; G458-Y462 VanDerWaalsContact O-N 3.11Å; V459-Y462 PolarHBondContact O-N 3.09Å; L460-Y462 VanDerWaalsContact C-N 3.32Å; L460-Y462 PolarHBondContact O-N 3.49Å; Y462-M464 PolarHBondContact O-N 2.99Å; Y462-A465 PolarHBondContact O-N 2.99Å; Y462-A466 HydrophobicContact CD1-CB 3.91Å; Y462-A466 HydrophobicContact CE1-CB 3.69Å; Y462-A466 VanDerWaalsContact O-CB 3.24Å; Y462-A466 WeakPolarHBondContact O-CB 3.39Å; Y462-A466 PolarHBondContact O-N 2.62Å; Y462-Y468 VanDerWaalsContact CD1-O 3.26Å; Y462-Y468 WeakPolarHBondContact CD1-O 3.37Å; Y462-Y468 HydrophobicContact CE1-CD2 4.09Å; Y462-Y468 AromaticContact CE1-CE2 3.8Å; Y462-Y468 HydrophobicContact CE1-CE2 3.8Å; Y462-Y468 WeakPolarHBondContact CE1-O 3.49Å; Y462-P470 HydrophobicContact CD1-CB 3.96Å; Y462-P470 HydrophobicContact CD1-CG 4.26Å; Y462-P470 HydrophobicContact CD2-CB 3.75Å; Y462-P470 HydrophobicContact CD2-CG 4.4Å; Y462-P470 HydrophobicContact CE1-CB 4.12Å; Y462-P470 HydrophobicContact CE2-CB 3.9Å; Y462-P470 HydrophobicContact CG-CB 3.8Å; Y462-P470 HydrophobicContact CG-CG 4.05Å; Y462-V488 HydrophobicContact CD2-CG1 4.26Å; Y462-V488 HydrophobicContact CE2-CG1 3.9Å; Y462-K489 VanDerWaalsContact CE2-O 3.29Å; Y462-K489 WeakPolarHBondContact CE2-O 3.42Å; Y462-K489 PolarHBondContact OH-O 2.88Å; Y462-F490 HydrophobicContact CD2-CD1 4.07Å; Y462-F490 HydrophobicContact CD2-CE1 4.18Å; Y462-F490 AromaticContact CE2-CD1 3.88Å; Y462-F490 HydrophobicContact CE2-CD1 3.88Å; Y462-F490 HydrophobicContact CE2-CE1 4.29Å; Y462-F494 AromaticContact CD2-CE2 3.84Å; Y462-F494 HydrophobicContact CD2-CE2 3.84Å; Y462-F494 HydrophobicContact CD2-CZ 4.32Å; Y462-F494 HydrophobicContact CE2-CE2 4.14Å; Y462-F494 HydrophobicContact CG-CE2 4.22Å; Y462-F494 HydrophobicContact CG-CZ 4.31Å; Y462-L502 HydrophobicContact CD2-CD1 4.08Å
463	E	98.5	Very high	97.9	Very high	7 Å²	7	14.7 Å²	14.7	3%	0.033	8%	0.075	C	C	.	.	H	α-helix	trans	-63	-42.2	-177.5	176.7	145.3	-157.8	0	0	112.6	L365 R366 Y437 V459 L460 A465 G467 Y468 P469	L365-E463 HydrophobicContact CD2-CG 3.83Å; R366-E463 IonicContact CZ-OE1 3.55Å; R366-E463 IonicContact NH1-OE1 3.39Å; R366-E463 PolarHBondContact NH1-OE1 3.24Å; R366-E463 IonicContact NH2-OE1 2.85Å; R366-E463 PolarHBondContact NH2-OE1 3.23Å; Y437-E463 PolarHBondContact OH-OE2 3.37Å; V459-E463 PolarHBondContact O-N 3.45Å; L460-E463 PolarHBondContact O-N 3.36Å; E463-A465 VanDerWaalsContact C-N 3.35Å; E463-A465 PolarHBondContact O-N 2.92Å; E463-G467 WeakPolarHBondContact O-CA 3.37Å; E463-G467 PolarHBondContact O-N 2.86Å; E463-Y468 WeakPolarHBondContact CA-O 3.33Å; E463-P469 WeakPolarHBondContact OE2-CB 3.21Å; E463-P469 WeakPolarHBondContact OE2-CD 3.31Å
464	M	98.4	Very high	97.5	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-57.4	-45.5	174.2	-73.8	-170	-62.1	0	0	112.1	M361 F371 S376 Y379 A380 L460 I461 Y462	M361-M464 HydrophobicContact CE-SD 3.99Å; M361-M464 HydrophobicContact SD-CG 4.09Å; M361-M464 HydrophobicContact SD-SD 3.8Å; F371-M464 HydrophobicContact CD2-CB 3.89Å; F371-M464 HydrophobicContact CD2-CG 3.85Å; F371-M464 HydrophobicContact CD2-SD 4.08Å; F371-M464 HydrophobicContact CE2-CG 4.12Å; F371-M464 HydrophobicContact CE2-SD 4.3Å; F371-M464 PolarHBondContact N-O 3.41Å; S376-M464 WeakPolarHBondContact O-CE 3.34Å; Y379-M464 HydrophobicContact CD2-SD 3.91Å; Y379-M464 HydrophobicContact CG-SD 4.34Å; A380-M464 HydrophobicContact CB-CE 4.34Å; L460-M464 HydrophobicContact CD2-CE 4.42Å; L460-M464 HydrophobicContact CG-CE 4.14Å; L460-M464 HydrophobicContact CG-CG 4.48Å; L460-M464 HydrophobicContact CG-SD 4.46Å; L460-M464 WeakPolarHBondContact O-CB 3.35Å; L460-M464 WeakPolarHBondContact O-CG 3.34Å; L460-M464 PolarHBondContact O-N 3.07Å; I461-M464 HydrophobicContact CG1-CE 4.26Å; Y462-M464 PolarHBondContact O-N 2.99Å
465	A	98.3	Very high	97.1	Very high	2 Å²	2	26.8 Å²	26.8	2%	0.017	14%	0.137	C	C	.	.	H	α-helix	trans	-81.7	-23.9	-175.3	0	0	0	0	0	114.5	R370 I461 Y462 E463 H493 F494 L498	R370-A465 PolarHBondContact NH1-O 2.98Å; I461-A465 WeakPolarHBondContact O-CB 3.43Å; I461-A465 PolarHBondContact O-N 2.65Å; Y462-A465 PolarHBondContact O-N 2.99Å; E463-A465 VanDerWaalsContact C-N 3.35Å; E463-A465 PolarHBondContact O-N 2.92Å; A465-H493 PolarHBondContact O-NE2 2.89Å; A465-F494 HydrophobicContact CB-CD1 4.4Å; A465-F494 HydrophobicContact CB-CE1 3.6Å; A465-F494 HydrophobicContact CB-CZ 3.73Å; A465-L498 HydrophobicContact CB-CD2 3.83Å
466	A	98.1	Very high	96.7	Very high	9 Å²	9	28.2 Å²	28.2	7%	0.074	15%	0.146	C	C	.	.	H	α-helix	trans	-99.1	-32.8	-179.5	0	0	0	0	0	114	Y462 Y468 P491 F494	Y462-A466 HydrophobicContact CD1-CB 3.91Å; Y462-A466 HydrophobicContact CE1-CB 3.69Å; Y462-A466 VanDerWaalsContact O-CB 3.24Å; Y462-A466 WeakPolarHBondContact O-CB 3.39Å; Y462-A466 PolarHBondContact O-N 2.62Å; A466-Y468 HydrophobicContact CB-CD1 4.09Å; A466-Y468 HydrophobicContact CB-CE1 3.89Å; A466-Y468 HydrophobicContact CB-CE2 4.39Å; A466-Y468 HydrophobicContact CB-CG 4.43Å; A466-P491 HydrophobicContact CB-CG 4.06Å; A466-F494 HydrophobicContact CB-CE1 4.05Å; A466-F494 HydrophobicContact CB-CZ 3.86Å
467	G	97.4	Very high	96.3	Very high	12 Å²	12	30.1 Å²	30.1	12%	0.124	16%	0.155	C	C	.	.	S	Bend	trans	90.7	0.1	-169.2	0	0	0	0	0	114.7	R366 G369 E463	R366-G467 PolarHBondContact NH1-O 2.73Å; G369-G467 WeakPolarHBondContact O-CA 3.35Å; E463-G467 WeakPolarHBondContact O-CA 3.37Å; E463-G467 PolarHBondContact O-N 2.86Å
468	Y	97.1	Very high	96	Very high	95 Å²	95	33.3 Å²	33.3	37%	0.373	17%	0.17	S	C	.	.	S	Bend	trans	-153.9	151.3	-179.6	59.1	-91.6	0	0	0	109.9	Y462 E463 A466 F472	Y462-Y468 VanDerWaalsContact CD1-O 3.26Å; Y462-Y468 WeakPolarHBondContact CD1-O 3.37Å; Y462-Y468 HydrophobicContact CE1-CD2 4.09Å; Y462-Y468 AromaticContact CE1-CE2 3.8Å; Y462-Y468 HydrophobicContact CE1-CE2 3.8Å; Y462-Y468 WeakPolarHBondContact CE1-O 3.49Å; E463-Y468 WeakPolarHBondContact CA-O 3.33Å; A466-Y468 HydrophobicContact CB-CD1 4.09Å; A466-Y468 HydrophobicContact CB-CE1 3.89Å; A466-Y468 HydrophobicContact CB-CE2 4.39Å; A466-Y468 HydrophobicContact CB-CG 4.43Å; Y468-F472 HydrophobicContact CD2-CD1 4.22Å; Y468-F472 AromaticContact CD2-CE1 3.79Å; Y468-F472 HydrophobicContact CD2-CE1 3.79Å; Y468-F472 HydrophobicContact CE2-CE1 4.14Å
469	P	97.4	Very high	95.8	Very high	12 Å²	12	33.3 Å²	33.3	8%	0.078	17%	0.17	C	C	.	.			trans	-72.8	158.1	-176.9	25.4	-28.7	0	0	0	112.7	E436 V459 E463 F471 F472	E436-P469 HydrophobicContact CB-CB 4.32Å; E436-P469 HydrophobicContact CB-CG 4.34Å; E436-P469 HydrophobicContact CG-CG 4.06Å; V459-P469 HydrophobicContact CG1-CB 4.3Å; E463-P469 WeakPolarHBondContact OE2-CB 3.21Å; E463-P469 WeakPolarHBondContact OE2-CD 3.31Å; P469-F471 PolarHBondContact O-N 3.08Å; P469-F472 HydrophobicContact CG-CB 4.29Å; P469-F472 WeakPolarHBondContact O-CD1 3.36Å
470	P	97.8	Very high	95.5	Very high	15 Å²	15	34 Å²	34	10%	0.097	17%	0.173	C	C	.	.	S	Bend	trans	-63.9	-24.3	-179.8	23.4	-32.1	0	0	0	113.7	V459 Y462 V488 L506	V459-P470 HydrophobicContact CB-CG 4.36Å; V459-P470 HydrophobicContact CG1-CG 4.1Å; V459-P470 HydrophobicContact CG2-CG 4.24Å; Y462-P470 HydrophobicContact CD1-CB 3.96Å; Y462-P470 HydrophobicContact CD1-CG 4.26Å; Y462-P470 HydrophobicContact CD2-CB 3.75Å; Y462-P470 HydrophobicContact CD2-CG 4.4Å; Y462-P470 HydrophobicContact CE1-CB 4.12Å; Y462-P470 HydrophobicContact CE2-CB 3.9Å; Y462-P470 HydrophobicContact CG-CB 3.8Å; Y462-P470 HydrophobicContact CG-CG 4.05Å; P470-V488 HydrophobicContact CB-CG1 4.18Å; P470-L506 HydrophobicContact CB-CD1 4.13Å; P470-L506 HydrophobicContact CG-CD1 4Å
471	F	97	Very high	95.3	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.009	18%	0.184	C	C	.	.	S	Bend	trans	-129.7	110	179.5	-45.1	-76.9	0	0	0	109.1	W455 P469 I479 K482 I483 V488 L506	W455-F471 HydrophobicContact CH2-CE2 4.01Å; W455-F471 AromaticContact CH2-CZ 3.96Å; W455-F471 HydrophobicContact CH2-CZ 3.96Å; W455-F471 HydrophobicContact CZ2-CD2 4.35Å; W455-F471 AromaticContact CZ2-CE2 3.45Å; W455-F471 HydrophobicContact CZ2-CE2 3.45Å; W455-F471 VanDerWaalsContact CZ2-CE2 3.45Å; W455-F471 AromaticContact CZ2-CZ 3.87Å; W455-F471 HydrophobicContact CZ2-CZ 3.87Å; P469-F471 PolarHBondContact O-N 3.08Å; F471-I479 HydrophobicContact CB-CG2 4.07Å; F471-K482 HydrophobicContact CB-CB 4.48Å; F471-K482 HydrophobicContact CD1-CB 4.09Å; F471-I483 HydrophobicContact CB-CD1 4.4Å; F471-I483 HydrophobicContact CB-CG1 3.79Å; F471-I483 HydrophobicContact CD1-CG1 4.11Å; F471-I483 HydrophobicContact CD2-CD1 4.39Å; F471-I483 HydrophobicContact CD2-CG1 3.52Å; F471-I483 HydrophobicContact CE2-CG1 4.06Å; F471-I483 HydrophobicContact CG-CG1 3.54Å; F471-V488 HydrophobicContact CE1-CG2 3.91Å; F471-V488 HydrophobicContact CE2-CG2 4.45Å; F471-V488 HydrophobicContact CZ-CG2 3.54Å; F471-L506 HydrophobicContact CE2-CD2 4.42Å
472	F	93.9	Very high	95.1	Very high	115 Å²	115	40.6 Å²	40.6	50%	0.504	20%	0.202	S	C	.	.			trans	-139.2	149.3	176.8	63.8	-84.5	0	0	0	110.8	Y468 P469 K482	Y468-F472 HydrophobicContact CD2-CD1 4.22Å; Y468-F472 AromaticContact CD2-CE1 3.79Å; Y468-F472 HydrophobicContact CD2-CE1 3.79Å; Y468-F472 HydrophobicContact CE2-CE1 4.14Å; P469-F472 HydrophobicContact CG-CB 4.29Å; P469-F472 WeakPolarHBondContact O-CD1 3.36Å; F472-K482 PolarHBondContact O-NZ 3.19Å
473	A	94.3	Very high	94.9	Very high	21 Å²	21	40.2 Å²	40.2	17%	0.174	20%	0.201	C	C	.	.			trans	-168.4	163.2	174.9	0	0	0	0	0	109.9	Q475 Q478 I479	A473-Q475 PolarHBondContact O-N 3.41Å; A473-Q475 VanDerWaalsContact O-N 3.15Å; A473-Q478 HydrophobicContact CB-CB 3.51Å; A473-I479 HydrophobicContact CB-CG1 3.86Å
474	D	92.1	Very high	94.7	Very high	161 Å²	161	40.8 Å²	40.8	86%	0.861	21%	0.205	S	C	*	.	S	Bend	trans	-67.9	-15	-177.5	-48.3	-41.6	0	0	0	113.9
475	Q	89.9	Confident	94.5	Very high	97 Å²	97	43.1 Å²	43.1	45%	0.453	22%	0.221	S	C	.	.	S	Bend	trans	-135.5	130.6	-178.9	-60.8	-178.1	5.7	0	0	110.2	A473 I477 Q478 I479	A473-Q475 PolarHBondContact O-N 3.41Å; A473-Q475 VanDerWaalsContact O-N 3.15Å; Q475-I477 HydrophobicContact CB-CG2 4.17Å; Q475-I477 PolarHBondContact O-N 3.24Å; Q475-I477 VanDerWaalsContact O-N 3.07Å; Q475-Q478 HydrophobicContact CB-CG 4.39Å; Q475-Q478 WeakPolarHBondContact O-CB 3.42Å; Q475-Q478 PolarHBondContact O-N 3.44Å; Q475-I479 PolarHBondContact O-N 3.03Å
476	P	89.5	Confident	94.1	Very high	30 Å²	30	44.5 Å²	44.5	20%	0.195	24%	0.236	C	C	.	.	H	α-helix	trans	-53.3	-32.4	-179	-32.7	38.1	0	0	0	115.4	L138 P435 Q478 I479 Y480	L138-P476 HydrophobicContact CD2-CB 4.08Å; L138-P476 HydrophobicContact CD2-CG 3.72Å; P435-P476 HydrophobicContact CB-CB 4.16Å; P435-P476 HydrophobicContact CG-CB 4.29Å; P435-P476 HydrophobicContact CG-CG 4.31Å; P476-Q478 VanDerWaalsContact C-N 3.26Å; P476-Q478 PolarHBondContact O-N 3.47Å; P476-I479 WeakPolarHBondContact O-CA 3.31Å; P476-I479 WeakPolarHBondContact O-CB 3.39Å; P476-I479 PolarHBondContact O-N 3.21Å; P476-Y480 HydrophobicContact CB-CE1 4.41Å; P476-Y480 HydrophobicContact CB-CE2 4.07Å; P476-Y480 WeakPolarHBondContact O-CD1 3.46Å; P476-Y480 WeakPolarHBondContact O-CD2 3.41Å; P476-Y480 PolarHBondContact O-N 3.35Å
477	I	90.9	Very high	93.8	Very high	46 Å²	46	52.3 Å²	52.3	24%	0.236	27%	0.268	C	S	.	.	H	α-helix	trans	-59.4	-36.1	175.7	-169.7	60.5	0	0	0	112.8	I133 Q475 Y480 E481	I133-I477 HydrophobicContact CD1-CD1 4.07Å; Q475-I477 HydrophobicContact CB-CG2 4.17Å; Q475-I477 PolarHBondContact O-N 3.24Å; Q475-I477 VanDerWaalsContact O-N 3.07Å; I477-Y480 HydrophobicContact CD1-CD2 4.32Å; I477-Y480 PolarHBondContact O-N 2.92Å; I477-E481 WeakPolarHBondContact O-CG 3.38Å; I477-E481 PolarHBondContact O-N 3.23Å
478	Q	93	Very high	93.7	Very high	67 Å²	67	53.2 Å²	53.2	31%	0.313	27%	0.271	S	S	.	.	H	α-helix	trans	-75.8	-25.6	176.1	-59.8	175.8	19.5	0	0	112	A473 Q475 P476 K482	A473-Q478 HydrophobicContact CB-CB 3.51Å; Q475-Q478 HydrophobicContact CB-CG 4.39Å; Q475-Q478 WeakPolarHBondContact O-CB 3.42Å; Q475-Q478 PolarHBondContact O-N 3.44Å; P476-Q478 VanDerWaalsContact C-N 3.26Å; P476-Q478 PolarHBondContact O-N 3.47Å; Q478-K482 WeakPolarHBondContact O-CD 3.32Å; Q478-K482 WeakPolarHBondContact O-CG 3.41Å; Q478-K482 PolarHBondContact O-N 2.87Å
479	I	93.6	Very high	93.6	Very high	1 Å²	1	57.1 Å²	57.1	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-68.9	-44.3	170.5	-52	-178.7	0	0	0	108.9	P435 E436 F471 A473 Q475 P476 K482 I483	P435-I479 HydrophobicContact CB-CD1 4.39Å; E436-I479 HydrophobicContact CG-CD1 4.15Å; E436-I479 WeakPolarHBondContact OE1-CD1 3.42Å; F471-I479 HydrophobicContact CB-CG2 4.07Å; A473-I479 HydrophobicContact CB-CG1 3.86Å; Q475-I479 PolarHBondContact O-N 3.03Å; P476-I479 WeakPolarHBondContact O-CA 3.31Å; P476-I479 WeakPolarHBondContact O-CB 3.39Å; P476-I479 PolarHBondContact O-N 3.21Å; I479-K482 WeakPolarHBondContact O-CB 3.18Å; I479-K482 PolarHBondContact O-N 2.93Å; I479-I483 HydrophobicContact CG2-CD1 3.83Å; I479-I483 HydrophobicContact CG2-CG1 4.47Å; I479-I483 WeakPolarHBondContact O-CG1 3.32Å; I479-I483 PolarHBondContact O-N 3.1Å
480	Y	93.2	Very high	93.6	Very high	15 Å²	15	59.1 Å²	59.1	6%	0.059	30%	0.297	C	S	.	.	H	α-helix	trans	-62.9	-46.5	176.8	-56.1	-24.2	0	0	0	112.5	I133 I136 P435 L438 I443 P476 I477 K482 I483 V484	I133-Y480 HydrophobicContact CD1-CD2 4.34Å; I136-Y480 HydrophobicContact CD1-CE2 3.8Å; P435-Y480 HydrophobicContact CB-CE1 3.89Å; L438-Y480 HydrophobicContact CD1-CE1 3.83Å; I443-Y480 HydrophobicContact CD1-CD1 3.7Å; I443-Y480 HydrophobicContact CD1-CE1 4.47Å; I443-Y480 HydrophobicContact CD1-CG 4.27Å; I443-Y480 HydrophobicContact CG1-CD1 3.87Å; I443-Y480 HydrophobicContact CG1-CE1 4.39Å; I443-Y480 HydrophobicContact CG1-CG 4.26Å; I443-Y480 HydrophobicContact CG2-CG 4.16Å; P476-Y480 HydrophobicContact CB-CE1 4.41Å; P476-Y480 HydrophobicContact CB-CE2 4.07Å; P476-Y480 WeakPolarHBondContact O-CD1 3.46Å; P476-Y480 WeakPolarHBondContact O-CD2 3.41Å; P476-Y480 PolarHBondContact O-N 3.35Å; I477-Y480 HydrophobicContact CD1-CD2 4.32Å; I477-Y480 PolarHBondContact O-N 2.92Å; Y480-K482 VanDerWaalsContact C-N 3.27Å; Y480-K482 PolarHBondContact O-N 2.89Å; Y480-I483 PolarHBondContact O-N 2.87Å; Y480-V484 WeakPolarHBondContact O-CB 3.46Å; Y480-V484 WeakPolarHBondContact O-CG2 3.46Å; Y480-V484 PolarHBondContact O-N 3.03Å
481	E	93	Very high	93.6	Very high	48 Å²	48	59.1 Å²	59.1	22%	0.224	30%	0.297	C	S	.	.	H	α-helix	trans	-55.3	-41.7	172.9	-74.7	173.8	157.2	0	0	111.1	C129 R130 I477 S485	C129-E481 HydrophobicContact CB-CG 4.42Å; R130-E481 IonicContact CZ-OE1 3.46Å; R130-E481 IonicContact NE-OE1 3.66Å; R130-E481 PolarHBondContact NE-OE1 3.13Å; R130-E481 IonicContact NH2-OE1 3.36Å; R130-E481 PolarHBondContact NH2-OE1 3.32Å; I477-E481 WeakPolarHBondContact O-CG 3.38Å; I477-E481 PolarHBondContact O-N 3.23Å; E481-S485 WeakPolarHBondContact O-CB 3.47Å; E481-S485 PolarHBondContact O-N 3.39Å
482	K	95	Very high	93.6	Very high	90 Å²	90	64.4 Å²	64.4	39%	0.391	34%	0.335	S	S	.	.	H	α-helix	trans	-67.9	-46.1	176.3	-72.3	172	-169.5	-175.4	0	113	F471 F472 Q478 I479 Y480 S485	F471-K482 HydrophobicContact CB-CB 4.48Å; F471-K482 HydrophobicContact CD1-CB 4.09Å; F472-K482 PolarHBondContact O-NZ 3.19Å; Q478-K482 WeakPolarHBondContact O-CD 3.32Å; Q478-K482 WeakPolarHBondContact O-CG 3.41Å; Q478-K482 PolarHBondContact O-N 2.87Å; I479-K482 WeakPolarHBondContact O-CB 3.18Å; I479-K482 PolarHBondContact O-N 2.93Å; Y480-K482 VanDerWaalsContact C-N 3.27Å; Y480-K482 PolarHBondContact O-N 2.89Å; K482-S485 WeakPolarHBondContact O-CB 3.37Å; K482-S485 PolarHBondContact O-N 3.12Å; K482-S485 PolarHBondContact O-OG 3.3Å
483	I	95.5	Very high	93.8	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-59.1	-51.5	178.5	-74.5	163.7	0	0	0	110.7	P435 P440 I443 W455 F471 I479 Y480 S485 G486	P435-I483 WeakPolarHBondContact O-CD1 3.35Å; P440-I483 HydrophobicContact CB-CG2 3.94Å; P440-I483 HydrophobicContact CG-CG2 4.49Å; I443-I483 HydrophobicContact CD1-CB 3.91Å; I443-I483 HydrophobicContact CD1-CD1 3.78Å; I443-I483 HydrophobicContact CD1-CG1 4.45Å; I443-I483 HydrophobicContact CD1-CG2 3.54Å; W455-I483 HydrophobicContact CH2-CG2 4.22Å; W455-I483 HydrophobicContact CZ2-CG1 4.47Å; W455-I483 HydrophobicContact CZ2-CG2 3.69Å; F471-I483 HydrophobicContact CB-CD1 4.4Å; F471-I483 HydrophobicContact CB-CG1 3.79Å; F471-I483 HydrophobicContact CD1-CG1 4.11Å; F471-I483 HydrophobicContact CD2-CD1 4.39Å; F471-I483 HydrophobicContact CD2-CG1 3.52Å; F471-I483 HydrophobicContact CE2-CG1 4.06Å; F471-I483 HydrophobicContact CG-CG1 3.54Å; I479-I483 HydrophobicContact CG2-CD1 3.83Å; I479-I483 HydrophobicContact CG2-CG1 4.47Å; I479-I483 WeakPolarHBondContact O-CG1 3.32Å; I479-I483 PolarHBondContact O-N 3.1Å; Y480-I483 PolarHBondContact O-N 2.87Å; I483-S485 PolarHBondContact O-N 2.73Å; I483-G486 PolarHBondContact O-N 2.82Å
484	V	94	Very high	94	Very high	19 Å²	19	62.1 Å²	62.1	12%	0.115	32%	0.322	C	S	.	.	H	α-helix	trans	-65.5	-25.8	-178.2	176.5	0	0	0	0	111.7	P125 P440 I443 L444 Y480 G486	P125-V484 HydrophobicContact CB-CG1 4.14Å; P440-V484 HydrophobicContact CB-CG2 4.49Å; I443-V484 HydrophobicContact CB-CG2 4.29Å; I443-V484 HydrophobicContact CG2-CG2 3.69Å; L444-V484 HydrophobicContact CD1-CG1 4.32Å; L444-V484 HydrophobicContact CD2-CG1 4Å; L444-V484 HydrophobicContact CD2-CG2 4.25Å; L444-V484 HydrophobicContact CG-CG1 4.39Å; L444-V484 HydrophobicContact CG-CG2 4.16Å; Y480-V484 WeakPolarHBondContact O-CB 3.46Å; Y480-V484 WeakPolarHBondContact O-CG2 3.46Å; Y480-V484 PolarHBondContact O-N 3.03Å; V484-G486 VanDerWaalsContact C-N 3.26Å; V484-G486 PolarHBondContact O-N 2.82Å
485	S	93.6	Very high	94.3	Very high	49 Å²	49	56.1 Å²	56.1	34%	0.343	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-20.6	174.1	84.9	0	0	0	0	114.7	E481 K482 I483 K487	E481-S485 WeakPolarHBondContact O-CB 3.47Å; E481-S485 PolarHBondContact O-N 3.39Å; K482-S485 WeakPolarHBondContact O-CB 3.37Å; K482-S485 PolarHBondContact O-N 3.12Å; K482-S485 PolarHBondContact O-OG 3.3Å; I483-S485 PolarHBondContact O-N 2.73Å; S485-K487 PolarHBondContact O-N 2.64Å; S485-K487 PolarHBondContact OG-N 2.84Å
486	G	89.1	Confident	94.7	Very high	31 Å²	31	57.9 Å²	57.9	32%	0.32	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.6	5	-176.5	0	0	0	0	0	116	I483 V484 V488	I483-G486 PolarHBondContact O-N 2.82Å; V484-G486 VanDerWaalsContact C-N 3.26Å; V484-G486 PolarHBondContact O-N 2.82Å; G486-V488 PolarHBondContact O-N 3.3Å; G486-V488 VanDerWaalsContact O-N 3.16Å
487	K	92.5	Very high	95.1	Very high	173 Å²	173	60.8 Å²	60.8	75%	0.752	32%	0.316	S	S	*	.			trans	-88.9	77.1	-171.4	-68.5	172.5	-175.1	172.4	0	112.9	S485	S485-K487 PolarHBondContact O-N 2.64Å; S485-K487 PolarHBondContact OG-N 2.84Å
488	V	95.4	Very high	95.5	Very high	30 Å²	30	58.6 Å²	58.6	18%	0.182	30%	0.304	C	S	.	.			trans	-73.9	132.7	172.4	-174.5	0	0	0	0	111	Y462 P470 F471 G486 F490 L506	Y462-V488 HydrophobicContact CD2-CG1 4.26Å; Y462-V488 HydrophobicContact CE2-CG1 3.9Å; P470-V488 HydrophobicContact CB-CG1 4.18Å; F471-V488 HydrophobicContact CE1-CG2 3.91Å; F471-V488 HydrophobicContact CE2-CG2 4.45Å; F471-V488 HydrophobicContact CZ-CG2 3.54Å; G486-V488 PolarHBondContact O-N 3.3Å; G486-V488 VanDerWaalsContact O-N 3.16Å; V488-F490 HydrophobicContact CB-CE1 4.49Å; V488-F490 HydrophobicContact CB-CE2 4.41Å; V488-F490 HydrophobicContact CB-CZ 4.07Å; V488-F490 HydrophobicContact CG1-CD1 4.08Å; V488-F490 HydrophobicContact CG1-CE1 3.55Å; V488-F490 HydrophobicContact CG1-CE2 4.15Å; V488-F490 HydrophobicContact CG1-CZ 3.6Å; V488-L506 HydrophobicContact CG1-CD1 4.25Å; V488-L506 HydrophobicContact CG2-CB 4.16Å; V488-L506 HydrophobicContact CG2-CD1 3.93Å
489	K	95.6	Very high	95.8	Very high	178 Å²	178	57.3 Å²	57.3	77%	0.774	30%	0.298	S	S	*	.			trans	-104.7	132.4	165.9	-69	-175.9	178.8	-178.3	0	109.4	Y462	Y462-K489 VanDerWaalsContact CE2-O 3.29Å; Y462-K489 WeakPolarHBondContact CE2-O 3.42Å; Y462-K489 PolarHBondContact OH-O 2.88Å
490	F	97.6	Very high	96	Very high	53 Å²	53	60.3 Å²	60.3	23%	0.232	31%	0.314	C	S	.	.			trans	-101.5	143.3	178.8	-59.2	-74	0	0	0	111.4	Y462 V488 F494 K499 L502 K503	Y462-F490 HydrophobicContact CD2-CD1 4.07Å; Y462-F490 HydrophobicContact CD2-CE1 4.18Å; Y462-F490 AromaticContact CE2-CD1 3.88Å; Y462-F490 HydrophobicContact CE2-CD1 3.88Å; Y462-F490 HydrophobicContact CE2-CE1 4.29Å; V488-F490 HydrophobicContact CB-CE1 4.49Å; V488-F490 HydrophobicContact CB-CE2 4.41Å; V488-F490 HydrophobicContact CB-CZ 4.07Å; V488-F490 HydrophobicContact CG1-CD1 4.08Å; V488-F490 HydrophobicContact CG1-CE1 3.55Å; V488-F490 HydrophobicContact CG1-CE2 4.15Å; V488-F490 HydrophobicContact CG1-CZ 3.6Å; F490-F494 HydrophobicContact CB-CD2 4.25Å; F490-F494 AromaticContact CD1-CD2 3.94Å; F490-F494 HydrophobicContact CD1-CD2 3.94Å; F490-F494 HydrophobicContact CD1-CE2 4.13Å; F490-K499 HydrophobicContact CB-CG 3.93Å; F490-K499 HydrophobicContact CD1-CG 4.4Å; F490-K499 HydrophobicContact CD2-CG 4.25Å; F490-K499 HydrophobicContact CG-CG 3.93Å; F490-L502 HydrophobicContact CD1-CD1 4.15Å; F490-L502 HydrophobicContact CE1-CB 3.58Å; F490-L502 HydrophobicContact CE1-CD1 3.86Å; F490-L502 HydrophobicContact CE1-CG 4.4Å; F490-L502 HydrophobicContact CZ-CB 4.09Å; F490-K503 HydrophobicContact CE2-CG 4.04Å; F490-K503 HydrophobicContact CZ-CG 4.06Å
491	P	97.5	Very high	96.3	Very high	15 Å²	15	59.6 Å²	59.6	10%	0.097	31%	0.311	C	S	.	.			trans	-56	152.3	168	-25	35.3	0	0	0	112.4	A466 H493 F494 K499	A466-P491 HydrophobicContact CB-CG 4.06Å; P491-H493 VanDerWaalsContact C-N 3.29Å; P491-H493 WeakPolarHBondContact CB-CE1 3.46Å; P491-H493 WeakPolarHBondContact CB-ND1 3.39Å; P491-H493 PolarHBondContact O-N 2.73Å; P491-F494 HydrophobicContact CB-CD1 3.89Å; P491-F494 HydrophobicContact CB-CE1 4.11Å; P491-F494 HydrophobicContact CB-CG 4.41Å; P491-F494 HydrophobicContact CG-CD1 3.84Å; P491-F494 HydrophobicContact CG-CE1 3.58Å; P491-F494 HydrophobicContact CG-CE2 4.4Å; P491-F494 HydrophobicContact CG-CG 4.37Å; P491-F494 HydrophobicContact CG-CZ 3.9Å; P491-F494 PolarHBondContact O-N 3.2Å; P491-K499 WeakPolarHBondContact O-CE 3.35Å; P491-K499 PolarHBondContact O-NZ 3.03Å
492	S	97.1	Very high	96.5	Very high	114 Å²	114	57.3 Å²	57.3	80%	0.797	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-44.8	175.3	48.6	0	0	0	0	111.2	F494 K499	S492-F494 VanDerWaalsContact C-N 3.28Å; S492-F494 PolarHBondContact O-N 3.38Å; S492-K499 PolarHBondContact O-NZ 3.11Å
493	H	97.5	Very high	96.7	Very high	83 Å²	83	58.6 Å²	58.6	38%	0.384	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-8	-175.4	70.4	-98.7	0	0	0	116.3	R370 A465 P491	R370-H493 PolarHBondContact NH1-NE2 3.13Å; A465-H493 PolarHBondContact O-NE2 2.89Å; P491-H493 VanDerWaalsContact C-N 3.29Å; P491-H493 WeakPolarHBondContact CB-CE1 3.46Å; P491-H493 WeakPolarHBondContact CB-ND1 3.39Å; P491-H493 PolarHBondContact O-N 2.73Å
494	F	98.4	Very high	96.8	Very high	5 Å²	5	60.2 Å²	60.2	2%	0.022	32%	0.315	C	S	.	.	S	Bend	trans	-68.8	137.5	173.8	-81.2	18.8	0	0	0	110.4	E373 Y462 A465 A466 F490 P491 S492 L498 K499 L502	E373-F494 WeakPolarHBondContact OE1-CA 3.34Å; Y462-F494 AromaticContact CD2-CE2 3.84Å; Y462-F494 HydrophobicContact CD2-CE2 3.84Å; Y462-F494 HydrophobicContact CD2-CZ 4.32Å; Y462-F494 HydrophobicContact CE2-CE2 4.14Å; Y462-F494 HydrophobicContact CG-CE2 4.22Å; Y462-F494 HydrophobicContact CG-CZ 4.31Å; A465-F494 HydrophobicContact CB-CD1 4.4Å; A465-F494 HydrophobicContact CB-CE1 3.6Å; A465-F494 HydrophobicContact CB-CZ 3.73Å; A466-F494 HydrophobicContact CB-CE1 4.05Å; A466-F494 HydrophobicContact CB-CZ 3.86Å; F490-F494 HydrophobicContact CB-CD2 4.25Å; F490-F494 AromaticContact CD1-CD2 3.94Å; F490-F494 HydrophobicContact CD1-CD2 3.94Å; F490-F494 HydrophobicContact CD1-CE2 4.13Å; P491-F494 HydrophobicContact CB-CD1 3.89Å; P491-F494 HydrophobicContact CB-CE1 4.11Å; P491-F494 HydrophobicContact CB-CG 4.41Å; P491-F494 HydrophobicContact CG-CD1 3.84Å; P491-F494 HydrophobicContact CG-CE1 3.58Å; P491-F494 HydrophobicContact CG-CE2 4.4Å; P491-F494 HydrophobicContact CG-CG 4.37Å; P491-F494 HydrophobicContact CG-CZ 3.9Å; P491-F494 PolarHBondContact O-N 3.2Å; S492-F494 VanDerWaalsContact C-N 3.28Å; S492-F494 PolarHBondContact O-N 3.38Å; F494-L498 HydrophobicContact CB-CD2 4.02Å; F494-L498 HydrophobicContact CB-CG 4.44Å; F494-L498 HydrophobicContact CD1-CD2 3.83Å; F494-L498 HydrophobicContact CD2-CD2 3.54Å; F494-L498 HydrophobicContact CD2-CG 3.79Å; F494-L498 HydrophobicContact CE1-CD2 4.12Å; F494-L498 HydrophobicContact CE2-CD2 3.86Å; F494-L498 HydrophobicContact CE2-CG 4.22Å; F494-L498 HydrophobicContact CG-CD2 3.52Å; F494-L498 HydrophobicContact CG-CG 4.15Å; F494-L498 HydrophobicContact CZ-CD2 4.13Å; F494-K499 HydrophobicContact CB-CD 4.26Å; F494-K499 HydrophobicContact CB-CG 3.96Å; F494-K499 WeakPolarHBondContact O-CE 3.41Å; F494-K499 PolarHBondContact O-NZ 3.2Å; F494-L502 HydrophobicContact CD2-CD1 3.97Å; F494-L502 HydrophobicContact CE2-CD1 3.55Å
495	S	98.4	Very high	97	Very high	35 Å²	35	59.3 Å²	59.3	25%	0.245	31%	0.309	C	S	.	.			trans	-60.9	156.8	171.2	70	0	0	0	0	111.7	E373 E497 L498 K499	E373-S495 WeakPolarHBondContact OE1-CB 3.33Å; E373-S495 PolarHBondContact OE1-N 3.31Å; E373-S495 PolarHBondContact OE1-OG 3.05Å; E373-S495 WeakPolarHBondContact OE2-CB 3.32Å; E373-S495 PolarHBondContact OE2-OG 3.1Å; S495-E497 PolarHBondContact O-N 2.8Å; S495-L498 PolarHBondContact O-N 3.42Å; S495-L498 VanDerWaalsContact OG-CB 3.23Å; S495-L498 WeakPolarHBondContact OG-CB 3.41Å; S495-L498 PolarHBondContact OG-N 3.06Å; S495-K499 WeakPolarHBondContact O-CB 3.2Å; S495-K499 WeakPolarHBondContact O-CD 3.35Å; S495-K499 WeakPolarHBondContact O-CG 3.4Å; S495-K499 PolarHBondContact O-N 3Å
496	N	98.3	Very high	97.3	Very high	134 Å²	134	57.4 Å²	57.4	72%	0.717	30%	0.295	S	S	*	.	H	α-helix	trans	-64.3	-30.4	175	-72.4	-27.4	0	0	0	111.7	D500	N496-D500 WeakPolarHBondContact O-CB 3.49Å; N496-D500 PolarHBondContact O-N 2.88Å
497	E	98.4	Very high	97.7	Very high	90 Å²	90	58.5 Å²	58.5	42%	0.421	29%	0.292	S	S	.	.	H	α-helix	trans	-68.4	-45.8	175.4	-66.1	162.7	-172.5	0	0	111.5	S495 D500 L501 H527 K528 W529	S495-E497 PolarHBondContact O-N 2.8Å; E497-D500 PolarHBondContact O-N 3.2Å; E497-D500 VanDerWaalsContact O-N 3.16Å; E497-L501 PolarHBondContact O-N 3.42Å; E497-H527 PolarHBondContact O-CE1 3.18Å; E497-H527 VanDerWaalsContact O-CE1 3.32Å; E497-K528 HydrophobicContact CG-CB 4.13Å; E497-W529 HydrophobicContact CB-CB 3.94Å; E497-W529 HydrophobicContact CB-CG 4.37Å
498	L	98.7	Very high	97.9	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-61.9	-45.4	174.2	178.7	57.3	0	0	0	111.4	E373 I461 A465 F494 S495 D500 L501 L502 W529	E373-L498 VanDerWaalsContact CD-CD2 3.47Å; E373-L498 HydrophobicContact CG-CD2 3.84Å; E373-L498 WeakPolarHBondContact OE1-CD2 3.47Å; I461-L498 HydrophobicContact CG2-CD1 3.53Å; A465-L498 HydrophobicContact CB-CD2 3.83Å; F494-L498 HydrophobicContact CB-CD2 4.02Å; F494-L498 HydrophobicContact CB-CG 4.44Å; F494-L498 HydrophobicContact CD1-CD2 3.83Å; F494-L498 HydrophobicContact CD2-CD2 3.54Å; F494-L498 HydrophobicContact CD2-CG 3.79Å; F494-L498 HydrophobicContact CE1-CD2 4.12Å; F494-L498 HydrophobicContact CE2-CD2 3.86Å; F494-L498 HydrophobicContact CE2-CG 4.22Å; F494-L498 HydrophobicContact CG-CD2 3.52Å; F494-L498 HydrophobicContact CG-CG 4.15Å; F494-L498 HydrophobicContact CZ-CD2 4.13Å; S495-L498 PolarHBondContact O-N 3.42Å; S495-L498 VanDerWaalsContact OG-CB 3.23Å; S495-L498 WeakPolarHBondContact OG-CB 3.41Å; S495-L498 PolarHBondContact OG-N 3.06Å; L498-D500 PolarHBondContact O-N 3.45Å; L498-L501 PolarHBondContact O-N 2.85Å; L498-L502 HydrophobicContact CD1-CD1 3.66Å; L498-L502 HydrophobicContact CD1-CG 3.89Å; L498-L502 HydrophobicContact CG-CD1 3.82Å; L498-L502 HydrophobicContact CG-CG 4.43Å; L498-L502 WeakPolarHBondContact O-CB 3.49Å; L498-L502 VanDerWaalsContact O-CG 3.25Å; L498-L502 WeakPolarHBondContact O-CG 3.31Å; L498-L502 PolarHBondContact O-N 3.26Å; L498-W529 HydrophobicContact CD1-CD2 4.39Å; L498-W529 HydrophobicContact CD1-CH2 4.5Å; L498-W529 HydrophobicContact CD1-CZ2 3.93Å
499	K	98.6	Very high	97.9	Very high	41 Å²	41	54 Å²	54	18%	0.178	28%	0.277	C	S	.	.	H	α-helix	trans	-58.7	-33.2	174.4	-76.7	161.3	172	146.5	0	112.1	F490 P491 S492 F494 S495 K503	F490-K499 HydrophobicContact CB-CG 3.93Å; F490-K499 HydrophobicContact CD1-CG 4.4Å; F490-K499 HydrophobicContact CD2-CG 4.25Å; F490-K499 HydrophobicContact CG-CG 3.93Å; P491-K499 WeakPolarHBondContact O-CE 3.35Å; P491-K499 PolarHBondContact O-NZ 3.03Å; S492-K499 PolarHBondContact O-NZ 3.11Å; F494-K499 HydrophobicContact CB-CD 4.26Å; F494-K499 HydrophobicContact CB-CG 3.96Å; F494-K499 WeakPolarHBondContact O-CE 3.41Å; F494-K499 PolarHBondContact O-NZ 3.2Å; S495-K499 WeakPolarHBondContact O-CB 3.2Å; S495-K499 WeakPolarHBondContact O-CD 3.35Å; S495-K499 WeakPolarHBondContact O-CG 3.4Å; S495-K499 PolarHBondContact O-N 3Å; K499-K503 VanDerWaalsContact O-CD 3.29Å; K499-K503 WeakPolarHBondContact O-CD 3.29Å; K499-K503 WeakPolarHBondContact O-CG 3.38Å; K499-K503 PolarHBondContact O-N 3.17Å
500	D	98.5	Very high	97.9	Very high	64 Å²	64	48.2 Å²	48.2	34%	0.342	25%	0.254	S	S	.	.	H	α-helix	trans	-77.9	-47.6	178.3	-169.6	59.9	0	0	0	112.3	N496 E497 L498 L502 K503 N504 H527	N496-D500 WeakPolarHBondContact O-CB 3.49Å; N496-D500 PolarHBondContact O-N 2.88Å; E497-D500 PolarHBondContact O-N 3.2Å; E497-D500 VanDerWaalsContact O-N 3.16Å; L498-D500 PolarHBondContact O-N 3.45Å; D500-L502 VanDerWaalsContact C-N 3.3Å; D500-L502 PolarHBondContact O-N 2.92Å; D500-K503 PolarHBondContact O-N 2.96Å; D500-N504 PolarHBondContact O-N 2.78Å; D500-N504 PolarHBondContact O-ND2 2.81Å; D500-H527 IonicContact OD2-CD2 2.78Å; D500-H527 IonicContact OD2-CE1 2.81Å; D500-H527 IonicContact OD2-NE2 3.64Å; D500-H527 PolarHBondContact OD2-NE2 3.44Å
501	L	98.7	Very high	97.8	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-55.1	-47.4	174.2	177.9	60.8	0	0	0	111.3	I461 E497 L498 K503 N504 L505 I524 H527 W529 F530	I461-L501 HydrophobicContact CD1-CD2 4.23Å; E497-L501 PolarHBondContact O-N 3.42Å; L498-L501 PolarHBondContact O-N 2.85Å; L501-K503 PolarHBondContact O-N 2.7Å; L501-N504 PolarHBondContact O-N 3.27Å; L501-N504 VanDerWaalsContact O-N 3.11Å; L501-L505 HydrophobicContact CD1-CD1 3.92Å; L501-L505 HydrophobicContact CD1-CG 4.14Å; L501-L505 HydrophobicContact CD2-CD1 4.49Å; L501-L505 HydrophobicContact CG-CD1 3.92Å; L501-L505 HydrophobicContact CG-CG 4.46Å; L501-L505 PolarHBondContact O-N 2.76Å; L501-I524 HydrophobicContact CD1-CG2 4.48Å; L501-H527 HydrophobicContact CD1-CB 4.2Å; L501-W529 HydrophobicContact CB-CB 4.4Å; L501-W529 HydrophobicContact CD2-CB 4.19Å; L501-W529 HydrophobicContact CD2-CD2 3.99Å; L501-W529 HydrophobicContact CD2-CE3 3.41Å; L501-W529 VanDerWaalsContact CD2-CE3 3.41Å; L501-W529 HydrophobicContact CD2-CG 4.34Å; L501-W529 HydrophobicContact CD2-CZ3 4.03Å; L501-F530 HydrophobicContact CD1-CE2 4.5Å; L501-F530 HydrophobicContact CD2-CD2 4.16Å; L501-F530 HydrophobicContact CD2-CE2 3.67Å; L501-F530 HydrophobicContact CD2-CZ 4.46Å
502	L	98.7	Very high	97.8	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-67.5	-32.5	-177.9	-69.8	173.8	0	0	0	113.3	G458 I461 Y462 F490 F494 L498 D500 N504 L506	G458-L502 WeakPolarHBondContact O-CD2 3.44Å; I461-L502 HydrophobicContact CB-CD2 3.99Å; I461-L502 HydrophobicContact CG2-CD2 3.88Å; I461-L502 HydrophobicContact CG2-CG 4.46Å; Y462-L502 HydrophobicContact CD2-CD1 4.08Å; F490-L502 HydrophobicContact CD1-CD1 4.15Å; F490-L502 HydrophobicContact CE1-CB 3.58Å; F490-L502 HydrophobicContact CE1-CD1 3.86Å; F490-L502 HydrophobicContact CE1-CG 4.4Å; F490-L502 HydrophobicContact CZ-CB 4.09Å; F494-L502 HydrophobicContact CD2-CD1 3.97Å; F494-L502 HydrophobicContact CE2-CD1 3.55Å; L498-L502 HydrophobicContact CD1-CD1 3.66Å; L498-L502 HydrophobicContact CD1-CG 3.89Å; L498-L502 HydrophobicContact CG-CD1 3.82Å; L498-L502 HydrophobicContact CG-CG 4.43Å; L498-L502 WeakPolarHBondContact O-CB 3.49Å; L498-L502 VanDerWaalsContact O-CG 3.25Å; L498-L502 WeakPolarHBondContact O-CG 3.31Å; L498-L502 PolarHBondContact O-N 3.26Å; D500-L502 VanDerWaalsContact C-N 3.3Å; D500-L502 PolarHBondContact O-N 2.92Å; L502-N504 PolarHBondContact O-N 3.36Å; L502-L506 WeakPolarHBondContact O-CB 3.42Å; L502-L506 PolarHBondContact O-N 3.3Å
503	K	98.2	Very high	97.8	Very high	116 Å²	116	49.9 Å²	49.9	50%	0.504	25%	0.254	S	S	.	.	H	α-helix	trans	-64.7	-29.9	171.8	-75.2	164.5	-170.8	172.9	0	112.8	F490 K499 D500 L501	F490-K503 HydrophobicContact CE2-CG 4.04Å; F490-K503 HydrophobicContact CZ-CG 4.06Å; K499-K503 VanDerWaalsContact O-CD 3.29Å; K499-K503 WeakPolarHBondContact O-CD 3.29Å; K499-K503 WeakPolarHBondContact O-CG 3.38Å; K499-K503 PolarHBondContact O-N 3.17Å; D500-K503 PolarHBondContact O-N 2.96Å; L501-K503 PolarHBondContact O-N 2.7Å
504	N	98.4	Very high	97.9	Very high	34 Å²	34	48 Å²	48	18%	0.182	24%	0.244	C	C	.	.	H	α-helix	trans	-87.7	-26.3	-178.5	-73.4	-70.7	0	0	0	112.8	D500 L501 L502 R513 Y514	D500-N504 PolarHBondContact O-N 2.78Å; D500-N504 PolarHBondContact O-ND2 2.81Å; L501-N504 PolarHBondContact O-N 3.27Å; L501-N504 VanDerWaalsContact O-N 3.11Å; L502-N504 PolarHBondContact O-N 3.36Å; N504-R513 WeakPolarHBondContact O-CA 3.23Å; N504-Y514 HydrophobicContact CB-CD1 3.58Å; N504-Y514 HydrophobicContact CB-CD2 3.85Å; N504-Y514 HydrophobicContact CB-CE1 3.65Å; N504-Y514 HydrophobicContact CB-CE2 3.93Å; N504-Y514 HydrophobicContact CB-CG 3.67Å; N504-Y514 PolarHBondContact O-N 2.83Å; N504-Y514 WeakPolarHBondContact OD1-CE1 3.21Å
505	L	98.5	Very high	97.8	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-84.5	-47.4	171.5	-67.3	175.1	0	0	0	112.7	W454 L457 I461 L501 Q507 R513 I524	W454-L505 HydrophobicContact CB-CD2 4.43Å; L457-L505 HydrophobicContact CD2-CD1 4.37Å; L457-L505 HydrophobicContact CG-CD1 4.36Å; I461-L505 HydrophobicContact CD1-CD1 4.03Å; L501-L505 HydrophobicContact CD1-CD1 3.92Å; L501-L505 HydrophobicContact CD1-CG 4.14Å; L501-L505 HydrophobicContact CD2-CD1 4.49Å; L501-L505 HydrophobicContact CG-CD1 3.92Å; L501-L505 HydrophobicContact CG-CG 4.46Å; L501-L505 PolarHBondContact O-N 2.76Å; L505-Q507 PolarHBondContact O-N 3.16Å; L505-R513 WeakPolarHBondContact O-CD 3.14Å; L505-R513 WeakPolarHBondContact O-CG 2.86Å; L505-I524 HydrophobicContact CD2-CD1 3.79Å; L505-I524 HydrophobicContact CD2-CG1 4.07Å
506	L	98.4	Very high	97.7	Very high	9 Å²	9	49.1 Å²	49.1	5%	0.047	25%	0.25	C	C	.	.	S	Bend	trans	-80.6	41.1	177.1	-58.9	176	0	0	0	111.9	W455 V459 P470 F471 V488 L502	W455-L506 HydrophobicContact CD2-CD2 4.13Å; W455-L506 HydrophobicContact CE3-CD2 4.43Å; W455-L506 HydrophobicContact CZ2-CD2 4.36Å; W455-L506 HydrophobicContact CZ3-CB 4.29Å; W455-L506 WeakPolarHBondContact CZ3-O 3.47Å; V459-L506 HydrophobicContact CG2-CD2 3.64Å; P470-L506 HydrophobicContact CB-CD1 4.13Å; P470-L506 HydrophobicContact CG-CD1 4Å; F471-L506 HydrophobicContact CE2-CD2 4.42Å; V488-L506 HydrophobicContact CG1-CD1 4.25Å; V488-L506 HydrophobicContact CG2-CB 4.16Å; V488-L506 HydrophobicContact CG2-CD1 3.93Å; L502-L506 WeakPolarHBondContact O-CB 3.42Å; L502-L506 PolarHBondContact O-N 3.3Å
507	Q	97.6	Very high	97.7	Very high	55 Å²	55	45.3 Å²	45.3	26%	0.257	23%	0.229	S	C	.	.			trans	-93.6	121.9	-177.2	179.7	52.3	-102.7	0	0	110.5	L505 D509 K512 R513	L505-Q507 PolarHBondContact O-N 3.16Å; Q507-D509 VanDerWaalsContact C-N 3.32Å; Q507-D509 HydrophobicContact CG-CB 4.33Å; Q507-D509 WeakPolarHBondContact CG-O 3.21Å; Q507-K512 HydrophobicContact CG-CB 3.77Å; Q507-R513 HydrophobicContact CB-CB 4.02Å; Q507-R513 HydrophobicContact CB-CG 4.16Å; Q507-R513 HydrophobicContact CG-CB 4.36Å; Q507-R513 PolarHBondContact O-NE 3.37Å; Q507-R513 PolarHBondContact O-NH2 2.86Å
508	V	96.7	Very high	97.5	Very high	55 Å²	55	50.9 Å²	50.9	33%	0.333	25%	0.252	S	S	.	.	S	Bend	trans	-70.6	-31.6	179.5	-177.8	0	0	0	0	111.2	P440 W455 L510	P440-V508 HydrophobicContact CB-CG1 4.18Å; P440-V508 HydrophobicContact CG-CB 4.29Å; P440-V508 HydrophobicContact CG-CG1 3.96Å; P440-V508 HydrophobicContact CG-CG2 4.25Å; W455-V508 HydrophobicContact CH2-CG2 4.43Å; W455-V508 HydrophobicContact CZ3-CG2 4.3Å; V508-L510 PolarHBondContact O-N 3.27Å
509	D	95.9	Very high	97.3	Very high	54 Å²	54	55.6 Å²	55.6	29%	0.289	28%	0.277	S	S	.	.			trans	-81.5	106.1	176.1	-172.9	-15.1	0	0	0	111.7	Q507 T511 K512 R513	Q507-D509 VanDerWaalsContact C-N 3.32Å; Q507-D509 HydrophobicContact CG-CB 4.33Å; Q507-D509 WeakPolarHBondContact CG-O 3.21Å; D509-T511 VanDerWaalsContact CG-OG1 3.23Å; D509-T511 PolarHBondContact O-N 3.06Å; D509-T511 WeakPolarHBondContact OD1-CB 3.33Å; D509-T511 PolarHBondContact OD1-N 2.99Å; D509-T511 PolarHBondContact OD1-OG1 3.5Å; D509-T511 PolarHBondContact OD2-OG1 3.46Å; D509-K512 HydrophobicContact CB-CB 4.33Å; D509-K512 HydrophobicContact CB-CD 4.46Å; D509-K512 HydrophobicContact CB-CG 4.38Å; D509-K512 PolarHBondContact O-N 3.19Å; D509-K512 IonicContact OD2-NZ 2.6Å; D509-K512 PolarHBondContact OD2-NZ 2.95Å; D509-R513 PolarHBondContact O-N 2.78Å; D509-R513 VanDerWaalsContact O-N 3.14Å
510	L	95.2	Very high	97.2	Very high	55 Å²	55	54.5 Å²	54.5	29%	0.288	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-25.3	177.2	-73.2	172.1	0	0	0	114.1	E441 A451 V508 K512 N516	E441-L510 HydrophobicContact CB-CD1 4.47Å; E441-L510 HydrophobicContact CG-CD1 4.45Å; A451-L510 HydrophobicContact CB-CD2 3.61Å; V508-L510 PolarHBondContact O-N 3.27Å; L510-K512 PolarHBondContact O-N 3.48Å; L510-N516 PolarHBondContact O-ND2 3.2Å
511	T	95.9	Very high	97.1	Very high	104 Å²	104	52.8 Å²	52.8	64%	0.638	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-8.1	176.5	70.4	0	0	0	0	113.5	D509 L517	D509-T511 VanDerWaalsContact CG-OG1 3.23Å; D509-T511 PolarHBondContact O-N 3.06Å; D509-T511 WeakPolarHBondContact OD1-CB 3.33Å; D509-T511 PolarHBondContact OD1-N 2.99Å; D509-T511 PolarHBondContact OD1-OG1 3.5Å; D509-T511 PolarHBondContact OD2-OG1 3.46Å; T511-L517 VanDerWaalsContact O-CD2 3.24Å; T511-L517 WeakPolarHBondContact O-CD2 3.33Å
512	K	97.4	Very high	97	Very high	113 Å²	113	54.3 Å²	54.3	49%	0.491	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.5	-4.6	-178.4	-60	-174.4	-178.6	67.3	0	113.4	Q507 D509 L510	Q507-K512 HydrophobicContact CG-CB 3.77Å; D509-K512 HydrophobicContact CB-CB 4.33Å; D509-K512 HydrophobicContact CB-CD 4.46Å; D509-K512 HydrophobicContact CB-CG 4.38Å; D509-K512 PolarHBondContact O-N 3.19Å; D509-K512 IonicContact OD2-NZ 2.6Å; D509-K512 PolarHBondContact OD2-NZ 2.95Å; L510-K512 PolarHBondContact O-N 3.48Å
513	R	98.5	Very high	96.9	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.289	C	S	.	.			trans	-77.8	125.8	180	-165.2	-175.3	-59.8	157.8	6.2	111.3	E441 A451 N504 L505 Q507 D509 N516 L517	E441-R513 IonicContact OE1-CZ 2.83Å; E441-R513 IonicContact OE1-NH1 3.68Å; E441-R513 PolarHBondContact OE1-NH1 2.86Å; E441-R513 IonicContact OE1-NH2 3.78Å; E441-R513 PolarHBondContact OE1-NH2 3.09Å; E441-R513 IonicContact OE2-CZ 3.19Å; E441-R513 IonicContact OE2-NH1 2.71Å; E441-R513 IonicContact OE2-NH2 2.66Å; E441-R513 PolarHBondContact OE2-NH2 3Å; A451-R513 PolarHBondContact O-NH1 2.83Å; N504-R513 WeakPolarHBondContact O-CA 3.23Å; L505-R513 WeakPolarHBondContact O-CD 3.14Å; L505-R513 WeakPolarHBondContact O-CG 2.86Å; Q507-R513 HydrophobicContact CB-CB 4.02Å; Q507-R513 HydrophobicContact CB-CG 4.16Å; Q507-R513 HydrophobicContact CG-CB 4.36Å; Q507-R513 PolarHBondContact O-NE 3.37Å; Q507-R513 PolarHBondContact O-NH2 2.86Å; D509-R513 PolarHBondContact O-N 2.78Å; D509-R513 VanDerWaalsContact O-N 3.14Å; R513-N516 PolarHBondContact O-N 3.37Å; R513-N516 VanDerWaalsContact O-N 3.13Å; R513-L517 WeakPolarHBondContact O-CG 3.25Å
514	Y	98.4	Very high	96.9	Very high	45 Å²	45	50.1 Å²	50.1	18%	0.176	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	149.3	172.5	-82.8	21.7	0	0	0	111.2	N504 N516 L517 D523 I524 H527	N504-Y514 HydrophobicContact CB-CD1 3.58Å; N504-Y514 HydrophobicContact CB-CD2 3.85Å; N504-Y514 HydrophobicContact CB-CE1 3.65Å; N504-Y514 HydrophobicContact CB-CE2 3.93Å; N504-Y514 HydrophobicContact CB-CG 3.67Å; N504-Y514 PolarHBondContact O-N 2.83Å; N504-Y514 WeakPolarHBondContact OD1-CE1 3.21Å; Y514-N516 PolarHBondContact O-N 3.46Å; Y514-L517 HydrophobicContact CD1-CD1 3.8Å; Y514-L517 HydrophobicContact CE1-CD1 4.12Å; Y514-D523 HydrophobicContact CD1-CB 4.11Å; Y514-D523 HydrophobicContact CD2-CB 3.93Å; Y514-D523 WeakPolarHBondContact CD2-O 3.36Å; Y514-D523 HydrophobicContact CE1-CB 4.34Å; Y514-D523 HydrophobicContact CE2-CB 4.15Å; Y514-D523 WeakPolarHBondContact CE2-O 3.39Å; Y514-D523 HydrophobicContact CG-CB 3.92Å; Y514-I524 HydrophobicContact CD2-CG1 4.28Å; Y514-H527 HydrophobicContact CE2-CB 4.5Å; Y514-H527 AromaticContact CE2-CD2 3.8Å
515	G	97.2	Very high	96.9	Very high	9 Å²	9	49.7 Å²	49.7	9%	0.093	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.6	-20.2	-169.3	0	0	0	0	0	114.2	G520	G515-G520 WeakPolarHBondContact CA-O 3.5Å; G515-G520 PolarHBondContact N-O 2.86Å; G515-G520 VanDerWaalsContact N-O 3.15Å
516	N	96.7	Very high	96.9	Very high	53 Å²	53	56.2 Å²	56.2	28%	0.283	30%	0.296	S	S	.	.	S	Bend	trans	-118.1	11.1	178.9	-164.5	68.8	0	0	0	113.5	N449 A451 L510 R513 Y514	N449-N516 PolarHBondContact ND2-OD1 2.89Å; A451-N516 HydrophobicContact CB-CB 3.88Å; L510-N516 PolarHBondContact O-ND2 3.2Å; R513-N516 PolarHBondContact O-N 3.37Å; R513-N516 VanDerWaalsContact O-N 3.13Å; Y514-N516 PolarHBondContact O-N 3.46Å
517	L	96.4	Very high	96.9	Very high	54 Å²	54	56.4 Å²	56.4	28%	0.283	30%	0.297	S	S	.	.	S	Bend	trans	-90.8	-179.4	174.6	-52.2	-173.7	0	0	0	111.7	T511 R513 Y514 N519 G520 D523	T511-L517 VanDerWaalsContact O-CD2 3.24Å; T511-L517 WeakPolarHBondContact O-CD2 3.33Å; R513-L517 WeakPolarHBondContact O-CG 3.25Å; Y514-L517 HydrophobicContact CD1-CD1 3.8Å; Y514-L517 HydrophobicContact CE1-CD1 4.12Å; L517-N519 PolarHBondContact O-N 3.43Å; L517-G520 WeakPolarHBondContact O-CA 3.09Å; L517-G520 PolarHBondContact O-N 3.35Å; L517-D523 WeakPolarHBondContact CB-OD2 3.45Å
518	K	95.2	Very high	96.9	Very high	208 Å²	208	61.5 Å²	61.5	90%	0.904	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-33.9	179.4	-173.8	179.6	176.9	-174.9	0	113.7
519	N	94.6	Very high	97	Very high	98 Å²	98	58.9 Å²	58.9	52%	0.524	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-2.7	178.2	-37.2	-45.1	0	0	0	112.1	L517 V521 A522 D523	L517-N519 PolarHBondContact O-N 3.43Å; N519-V521 PolarHBondContact O-N 2.86Å; N519-A522 HydrophobicContact CB-CB 4.11Å; N519-A522 VanDerWaalsContact O-CB 3.31Å; N519-A522 WeakPolarHBondContact O-CB 3.37Å; N519-A522 PolarHBondContact O-N 3.16Å; N519-D523 WeakPolarHBondContact CB-OD2 3.25Å; N519-D523 PolarHBondContact ND2-OD1 2.88Å
520	G	95.4	Very high	97.1	Very high	18 Å²	18	56.4 Å²	56.4	19%	0.186	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	-119.1	177.9	0	0	0	0	0	112.8	G515 L517 A522	G515-G520 WeakPolarHBondContact CA-O 3.5Å; G515-G520 PolarHBondContact N-O 2.86Å; G515-G520 VanDerWaalsContact N-O 3.15Å; L517-G520 WeakPolarHBondContact O-CA 3.09Å; L517-G520 PolarHBondContact O-N 3.35Å; G520-A522 PolarHBondContact O-N 3.17Å
521	V	96.5	Very high	97.1	Very high	28 Å²	28	57.2 Å²	57.2	17%	0.17	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-25.5	178.6	71.7	0	0	0	0	113.5	V384 E388 W454 N519 D523 I524 K525	V384-V521 HydrophobicContact CG1-CG2 3.98Å; E388-V521 HydrophobicContact CB-CG2 4.09Å; E388-V521 HydrophobicContact CG-CB 4.24Å; E388-V521 HydrophobicContact CG-CG1 3.86Å; E388-V521 HydrophobicContact CG-CG2 3.96Å; E388-V521 WeakPolarHBondContact OE1-CG1 3.11Å; W454-V521 HydrophobicContact CH2-CG2 3.73Å; W454-V521 HydrophobicContact CZ2-CB 4.36Å; W454-V521 HydrophobicContact CZ2-CG2 4.06Å; N519-V521 PolarHBondContact O-N 2.86Å; V521-D523 VanDerWaalsContact C-N 3.26Å; V521-D523 PolarHBondContact O-N 3.45Å; V521-I524 WeakPolarHBondContact O-CA 3.29Å; V521-I524 WeakPolarHBondContact O-CB 3.3Å; V521-I524 PolarHBondContact O-N 2.71Å; V521-K525 HydrophobicContact CG1-CD 4.24Å; V521-K525 HydrophobicContact CG2-CD 3.71Å; V521-K525 HydrophobicContact CG2-CG 4.1Å; V521-K525 PolarHBondContact O-N 3.4Å
522	A	96.8	Very high	97.1	Very high	33 Å²	33	56.7 Å²	56.7	27%	0.273	31%	0.312	S	S	.	.	H	α-helix	trans	-67.9	-28.1	-174.6	0	0	0	0	0	112.2	N519 G520 I524 K525 N526	N519-A522 HydrophobicContact CB-CB 4.11Å; N519-A522 VanDerWaalsContact O-CB 3.31Å; N519-A522 WeakPolarHBondContact O-CB 3.37Å; N519-A522 PolarHBondContact O-N 3.16Å; G520-A522 PolarHBondContact O-N 3.17Å; A522-I524 PolarHBondContact O-N 3.29Å; A522-K525 PolarHBondContact O-N 3.03Å; A522-N526 VanDerWaalsContact O-CB 3.24Å; A522-N526 WeakPolarHBondContact O-CB 3.34Å; A522-N526 VanDerWaalsContact O-CG 3.31Å; A522-N526 PolarHBondContact O-N 3.05Å; A522-N526 PolarHBondContact O-ND2 3.03Å
523	D	97.7	Very high	97	Very high	28 Å²	28	52.4 Å²	52.4	15%	0.15	30%	0.295	C	S	.	.	H	α-helix	trans	-63.7	-30.1	172.4	-61.6	-52.1	0	0	0	111.9	Y514 L517 N519 V521	Y514-D523 HydrophobicContact CD1-CB 4.11Å; Y514-D523 HydrophobicContact CD2-CB 3.93Å; Y514-D523 WeakPolarHBondContact CD2-O 3.36Å; Y514-D523 HydrophobicContact CE1-CB 4.34Å; Y514-D523 HydrophobicContact CE2-CB 4.15Å; Y514-D523 WeakPolarHBondContact CE2-O 3.39Å; Y514-D523 HydrophobicContact CG-CB 3.92Å; L517-D523 WeakPolarHBondContact CB-OD2 3.45Å; N519-D523 WeakPolarHBondContact CB-OD2 3.25Å; N519-D523 PolarHBondContact ND2-OD1 2.88Å; V521-D523 VanDerWaalsContact C-N 3.26Å; V521-D523 PolarHBondContact O-N 3.45Å
524	I	98.4	Very high	96.9	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-78.7	-51.2	173.4	-54.2	173.2	0	0	0	109.8	V384 W454 L501 L505 Y514 V521 A522 N526 H527 F530	V384-I524 HydrophobicContact CG1-CG2 4.49Å; V384-I524 HydrophobicContact CG2-CG2 3.86Å; W454-I524 HydrophobicContact CD2-CD1 3.66Å; W454-I524 HydrophobicContact CE3-CD1 3.28Å; W454-I524 HydrophobicContact CG-CD1 4.28Å; W454-I524 HydrophobicContact CH2-CD1 4.3Å; W454-I524 HydrophobicContact CZ3-CD1 3.64Å; L501-I524 HydrophobicContact CD1-CG2 4.48Å; L505-I524 HydrophobicContact CD2-CD1 3.79Å; L505-I524 HydrophobicContact CD2-CG1 4.07Å; Y514-I524 HydrophobicContact CD2-CG1 4.28Å; V521-I524 WeakPolarHBondContact O-CA 3.29Å; V521-I524 WeakPolarHBondContact O-CB 3.3Å; V521-I524 PolarHBondContact O-N 2.71Å; A522-I524 PolarHBondContact O-N 3.29Å; I524-N526 VanDerWaalsContact C-N 3.29Å; I524-N526 PolarHBondContact O-N 3.36Å; I524-H527 WeakPolarHBondContact O-CB 3.37Å; I524-H527 PolarHBondContact O-N 3.4Å; I524-H527 VanDerWaalsContact O-N 3.09Å; I524-F530 HydrophobicContact CG2-CD2 4.27Å; I524-F530 HydrophobicContact CG2-CE2 3.74Å; I524-F530 VanDerWaalsContact O-CD2 3.31Å; I524-F530 WeakPolarHBondContact O-CD2 3.26Å
525	K	98	Very high	96.8	Very high	25 Å²	25	56.2 Å²	56.2	11%	0.109	32%	0.316	C	S	.	.	H	α-helix	trans	-66.2	-29.3	-172.9	-71.6	172.1	63.4	170.9	0	114	V384 E388 V521 A522 W535	V384-K525 HydrophobicContact CG1-CD 4.07Å; V384-K525 HydrophobicContact CG1-CG 3.63Å; E388-K525 IonicContact OE1-NZ 3.85Å; E388-K525 PolarHBondContact OE1-NZ 3.1Å; E388-K525 VanDerWaalsContact OE2-CD 3.31Å; E388-K525 WeakPolarHBondContact OE2-CD 3.48Å; E388-K525 WeakPolarHBondContact OE2-CE 2.93Å; E388-K525 IonicContact OE2-NZ 4Å; E388-K525 PolarHBondContact OE2-NZ 2.82Å; V521-K525 HydrophobicContact CG1-CD 4.24Å; V521-K525 HydrophobicContact CG2-CD 3.71Å; V521-K525 HydrophobicContact CG2-CG 4.1Å; V521-K525 PolarHBondContact O-N 3.4Å; A522-K525 PolarHBondContact O-N 3.03Å; K525-W535 HydrophobicContact CB-CH2 4.46Å; K525-W535 HydrophobicContact CB-CZ2 3.82Å; K525-W535 HydrophobicContact CG-CD2 4.26Å; K525-W535 HydrophobicContact CG-CE3 4.41Å; K525-W535 HydrophobicContact CG-CH2 3.92Å; K525-W535 HydrophobicContact CG-CZ2 3.76Å; K525-W535 HydrophobicContact CG-CZ3 4.23Å; K525-W535 WeakPolarHBondContact O-CZ2 3.47Å; K525-W535 PolarHBondContact O-NE1 3.15Å
526	N	97.5	Very high	96.6	Very high	136 Å²	136	57.4 Å²	57.4	73%	0.727	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	4.8	177	-57.8	-26	0	0	0	112.8	A522 I524	A522-N526 VanDerWaalsContact O-CB 3.24Å; A522-N526 WeakPolarHBondContact O-CB 3.34Å; A522-N526 VanDerWaalsContact O-CG 3.31Å; A522-N526 PolarHBondContact O-N 3.05Å; A522-N526 PolarHBondContact O-ND2 3.03Å; I524-N526 VanDerWaalsContact C-N 3.29Å; I524-N526 PolarHBondContact O-N 3.36Å
527	H	98.5	Very high	96.5	Very high	13 Å²	13	55.6 Å²	55.6	6%	0.06	31%	0.312	C	S	.	.	S	Bend	trans	-66.7	144.6	177	-171.8	-89.7	0	0	0	110.9	E497 D500 L501 Y514 I524 W529 F530 G531	E497-H527 PolarHBondContact O-CE1 3.18Å; E497-H527 VanDerWaalsContact O-CE1 3.32Å; D500-H527 IonicContact OD2-CD2 2.78Å; D500-H527 IonicContact OD2-CE1 2.81Å; D500-H527 IonicContact OD2-NE2 3.64Å; D500-H527 PolarHBondContact OD2-NE2 3.44Å; L501-H527 HydrophobicContact CD1-CB 4.2Å; Y514-H527 HydrophobicContact CE2-CB 4.5Å; Y514-H527 AromaticContact CE2-CD2 3.8Å; I524-H527 WeakPolarHBondContact O-CB 3.37Å; I524-H527 PolarHBondContact O-N 3.4Å; I524-H527 VanDerWaalsContact O-N 3.09Å; H527-W529 PolarHBondContact ND1-N 3.22Å; H527-W529 PolarHBondContact O-N 3.37Å; H527-W529 VanDerWaalsContact O-N 3.12Å; H527-F530 WeakPolarHBondContact O-CA 3.34Å; H527-F530 PolarHBondContact O-N 3.13Å; H527-G531 PolarHBondContact O-N 3.06Å
528	K	98.1	Very high	96.4	Very high	162 Å²	162	53.3 Å²	53.3	70%	0.704	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-52.1	-38.5	-177	-64.8	-178.3	-179.7	179.6	0	113.2	E497 F530 G531	E497-K528 HydrophobicContact CG-CB 4.13Å; K528-F530 PolarHBondContact O-N 3.14Å; K528-G531 PolarHBondContact O-N 2.76Å
529	W	98.5	Very high	96.4	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-63.7	-24.4	178.7	-168.9	74	0	0	0	113.1	E373 R377 A380 I461 E497 L498 L501 H527	E373-W529 HydrophobicContact CB-CZ2 4.23Å; E373-W529 PolarHBondContact OE2-NE1 2.94Å; R377-W529 VanDerWaalsContact CA-CH2 3.42Å; R377-W529 HydrophobicContact CB-CE3 4.46Å; R377-W529 HydrophobicContact CB-CH2 3.62Å; R377-W529 HydrophobicContact CB-CZ2 3.98Å; R377-W529 HydrophobicContact CB-CZ3 3.87Å; R377-W529 HydrophobicContact CG-CE3 4.37Å; R377-W529 HydrophobicContact CG-CH2 4.37Å; R377-W529 HydrophobicContact CG-CZ3 4.13Å; R377-W529 VanDerWaalsContact CZ-O 3.28Å; R377-W529 PolarHBondContact NE-O 2.79Å; R377-W529 PolarHBondContact NH2-O 3.07Å; A380-W529 HydrophobicContact CB-CH2 4.47Å; A380-W529 HydrophobicContact CB-CZ3 4.13Å; I461-W529 HydrophobicContact CD1-CZ3 4.45Å; I461-W529 HydrophobicContact CG2-CH2 3.98Å; I461-W529 HydrophobicContact CG2-CZ3 4.31Å; E497-W529 HydrophobicContact CB-CB 3.94Å; E497-W529 HydrophobicContact CB-CG 4.37Å; L498-W529 HydrophobicContact CD1-CD2 4.39Å; L498-W529 HydrophobicContact CD1-CH2 4.5Å; L498-W529 HydrophobicContact CD1-CZ2 3.93Å; L501-W529 HydrophobicContact CB-CB 4.4Å; L501-W529 HydrophobicContact CD2-CB 4.19Å; L501-W529 HydrophobicContact CD2-CD2 3.99Å; L501-W529 HydrophobicContact CD2-CE3 3.41Å; L501-W529 VanDerWaalsContact CD2-CE3 3.41Å; L501-W529 HydrophobicContact CD2-CG 4.34Å; L501-W529 HydrophobicContact CD2-CZ3 4.03Å; H527-W529 PolarHBondContact ND1-N 3.22Å; H527-W529 PolarHBondContact O-N 3.37Å; H527-W529 VanDerWaalsContact O-N 3.12Å
530	F	98.4	Very high	96.3	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.009	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-94.5	2.3	172.4	-75.6	-73.7	0	0	0	113.5	R377 A380 A381 V384 L501 I524 H527 K528 S532 T533 W535	R377-F530 HydrophobicContact CG-CD1 3.95Å; R377-F530 HydrophobicContact CG-CE1 4.16Å; A380-F530 HydrophobicContact CB-CE1 4.05Å; A380-F530 HydrophobicContact CB-CZ 3.85Å; A381-F530 HydrophobicContact CB-CE1 4.17Å; V384-F530 HydrophobicContact CG2-CZ 4.15Å; L501-F530 HydrophobicContact CD1-CE2 4.5Å; L501-F530 HydrophobicContact CD2-CD2 4.16Å; L501-F530 HydrophobicContact CD2-CE2 3.67Å; L501-F530 HydrophobicContact CD2-CZ 4.46Å; I524-F530 HydrophobicContact CG2-CD2 4.27Å; I524-F530 HydrophobicContact CG2-CE2 3.74Å; I524-F530 VanDerWaalsContact O-CD2 3.31Å; I524-F530 WeakPolarHBondContact O-CD2 3.26Å; H527-F530 WeakPolarHBondContact O-CA 3.34Å; H527-F530 PolarHBondContact O-N 3.13Å; K528-F530 PolarHBondContact O-N 3.14Å; F530-S532 PolarHBondContact O-N 3.11Å; F530-T533 HydrophobicContact CD1-CG2 4.47Å; F530-T533 WeakPolarHBondContact O-CA 3.28Å; F530-T533 WeakPolarHBondContact O-CB 3.35Å; F530-T533 PolarHBondContact O-N 2.97Å; F530-T533 PolarHBondContact O-OG1 2.91Å; F530-W535 HydrophobicContact CB-CH2 4.41Å; F530-W535 HydrophobicContact CB-CZ2 3.74Å; F530-W535 AromaticContact CD1-CH2 3.56Å; F530-W535 HydrophobicContact CD1-CH2 3.56Å; F530-W535 AromaticContact CD1-CZ2 3.75Å; F530-W535 HydrophobicContact CD1-CZ2 3.75Å; F530-W535 HydrophobicContact CD2-CH2 4.38Å; F530-W535 HydrophobicContact CD2-CZ2 4.39Å; F530-W535 AromaticContact CE1-CH2 3.79Å; F530-W535 HydrophobicContact CE1-CH2 3.79Å; F530-W535 HydrophobicContact CE1-CZ2 4.43Å; F530-W535 AromaticContact CG-CH2 3.89Å; F530-W535 HydrophobicContact CG-CH2 3.89Å; F530-W535 AromaticContact CG-CZ2 3.72Å; F530-W535 HydrophobicContact CG-CZ2 3.72Å; F530-W535 HydrophobicContact CZ-CH2 4.28Å
531	G	96	Very high	96.2	Very high	72 Å²	72	43.5 Å²	43.5	74%	0.742	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-11.7	-172.6	0	0	0	0	0	116.6	H527 K528	H527-G531 PolarHBondContact O-N 3.06Å; K528-G531 PolarHBondContact O-N 2.76Å
532	S	94.6	Very high	96	Very high	94 Å²	94	47.4 Å²	47.4	66%	0.657	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.7	15	172.2	69	0	0	0	0	113.9	F530	F530-S532 PolarHBondContact O-N 3.11Å
533	T	96.2	Very high	95.7	Very high	22 Å²	22	48.3 Å²	48.3	14%	0.135	26%	0.264	C	S	.	.			trans	-106.4	109.4	-170.4	-45	0	0	0	0	111	A381 F530 W535 I538	A381-T533 HydrophobicContact CB-CG2 3.74Å; F530-T533 HydrophobicContact CD1-CG2 4.47Å; F530-T533 WeakPolarHBondContact O-CA 3.28Å; F530-T533 WeakPolarHBondContact O-CB 3.35Å; F530-T533 PolarHBondContact O-N 2.97Å; F530-T533 PolarHBondContact O-OG1 2.91Å; T533-W535 HydrophobicContact CG2-CD2 4.2Å; T533-W535 HydrophobicContact CG2-CE3 4.31Å; T533-W535 HydrophobicContact CG2-CH2 4.42Å; T533-W535 HydrophobicContact CG2-CZ2 4.27Å; T533-W535 HydrophobicContact CG2-CZ3 4.45Å; T533-W535 PolarHBondContact O-N 3.26Å; T533-I538 HydrophobicContact CG2-CG1 4.12Å
534	D	95.5	Very high	95.1	Very high	92 Å²	92	52 Å²	52	49%	0.492	29%	0.293	S	S	.	.			trans	-77.7	100.6	165.2	-178.1	-16.7	0	0	0	109.4	I536 A537 I538	D534-I536 PolarHBondContact O-N 3.4Å; D534-I536 WeakPolarHBondContact OD1-CA 3.38Å; D534-I536 PolarHBondContact OD1-N 2.85Å; D534-A537 HydrophobicContact CB-CB 3.85Å; D534-A537 VanDerWaalsContact CG-CB 3.42Å; D534-A537 PolarHBondContact O-N 3.38Å; D534-A537 PolarHBondContact OD1-N 2.97Å; D534-A537 WeakPolarHBondContact OD2-CB 3.47Å; D534-I538 VanDerWaalsContact O-CG1 3.28Å; D534-I538 WeakPolarHBondContact O-CG1 3.31Å; D534-I538 PolarHBondContact O-N 3.13Å
535	W	95.7	Very high	94.1	Very high	34 Å²	34	53.9 Å²	53.9	13%	0.129	31%	0.306	C	S	.	.	H	α-helix	trans	-60.1	-31.3	179.3	-62.7	103.6	0	0	0	113.5	A381 V384 L385 K525 F530 T533 Y539	A381-W535 HydrophobicContact CB-CE3 4.3Å; A381-W535 HydrophobicContact CB-CH2 4.16Å; A381-W535 HydrophobicContact CB-CZ3 3.69Å; V384-W535 HydrophobicContact CB-CH2 4.16Å; V384-W535 HydrophobicContact CB-CZ3 3.91Å; V384-W535 HydrophobicContact CG1-CH2 3.9Å; V384-W535 HydrophobicContact CG1-CZ3 3.76Å; V384-W535 HydrophobicContact CG2-CH2 4.49Å; L385-W535 HydrophobicContact CD1-CE3 4.03Å; L385-W535 HydrophobicContact CD2-CB 4.4Å; L385-W535 HydrophobicContact CD2-CE3 3.77Å; L385-W535 HydrophobicContact CG-CE3 3.78Å; L385-W535 HydrophobicContact CG-CZ3 4.19Å; K525-W535 HydrophobicContact CB-CH2 4.46Å; K525-W535 HydrophobicContact CB-CZ2 3.82Å; K525-W535 HydrophobicContact CG-CD2 4.26Å; K525-W535 HydrophobicContact CG-CE3 4.41Å; K525-W535 HydrophobicContact CG-CH2 3.92Å; K525-W535 HydrophobicContact CG-CZ2 3.76Å; K525-W535 HydrophobicContact CG-CZ3 4.23Å; K525-W535 WeakPolarHBondContact O-CZ2 3.47Å; K525-W535 PolarHBondContact O-NE1 3.15Å; F530-W535 HydrophobicContact CB-CH2 4.41Å; F530-W535 HydrophobicContact CB-CZ2 3.74Å; F530-W535 AromaticContact CD1-CH2 3.56Å; F530-W535 HydrophobicContact CD1-CH2 3.56Å; F530-W535 AromaticContact CD1-CZ2 3.75Å; F530-W535 HydrophobicContact CD1-CZ2 3.75Å; F530-W535 HydrophobicContact CD2-CH2 4.38Å; F530-W535 HydrophobicContact CD2-CZ2 4.39Å; F530-W535 AromaticContact CE1-CH2 3.79Å; F530-W535 HydrophobicContact CE1-CH2 3.79Å; F530-W535 HydrophobicContact CE1-CZ2 4.43Å; F530-W535 AromaticContact CG-CH2 3.89Å; F530-W535 HydrophobicContact CG-CH2 3.89Å; F530-W535 AromaticContact CG-CZ2 3.72Å; F530-W535 HydrophobicContact CG-CZ2 3.72Å; F530-W535 HydrophobicContact CZ-CH2 4.28Å; T533-W535 HydrophobicContact CG2-CD2 4.2Å; T533-W535 HydrophobicContact CG2-CE3 4.31Å; T533-W535 HydrophobicContact CG2-CH2 4.42Å; T533-W535 HydrophobicContact CG2-CZ2 4.27Å; T533-W535 HydrophobicContact CG2-CZ3 4.45Å; T533-W535 PolarHBondContact O-N 3.26Å; W535-Y539 WeakPolarHBondContact O-CB 3.28Å; W535-Y539 PolarHBondContact O-N 2.87Å; W535-Y539 VanDerWaalsContact O-N 3.09Å
536	I	93.7	Very high	93	Very high	34 Å²	34	56.9 Å²	56.9	17%	0.174	32%	0.317	C	S	.	.	H	α-helix	trans	-79	-43.6	-179.7	-60.2	169.7	0	0	0	109.6	V243 P244 D534 I538 Y539 Q540	V243-I536 HydrophobicContact CG1-CD1 4.06Å; P244-I536 WeakPolarHBondContact O-CD1 3.43Å; D534-I536 PolarHBondContact O-N 3.4Å; D534-I536 WeakPolarHBondContact OD1-CA 3.38Å; D534-I536 PolarHBondContact OD1-N 2.85Å; I536-I538 VanDerWaalsContact C-N 3.31Å; I536-I538 PolarHBondContact O-N 2.84Å; I536-Y539 PolarHBondContact O-N 2.9Å; I536-Q540 HydrophobicContact CG2-CG 4.33Å; I536-Q540 WeakPolarHBondContact O-CB 3.4Å; I536-Q540 WeakPolarHBondContact O-CG 3.43Å; I536-Q540 PolarHBondContact O-N 3.38Å
537	A	94.7	Very high	91.3	Very high	15 Å²	15	56.4 Å²	56.4	12%	0.124	32%	0.321	C	S	.	.	H	α-helix	trans	-65.8	-33	174.8	0	0	0	0	0	112.6	D534 K541 K542 V543	D534-A537 HydrophobicContact CB-CB 3.85Å; D534-A537 VanDerWaalsContact CG-CB 3.42Å; D534-A537 PolarHBondContact O-N 3.38Å; D534-A537 PolarHBondContact OD1-N 2.97Å; D534-A537 WeakPolarHBondContact OD2-CB 3.47Å; A537-K541 PolarHBondContact O-N 3.39Å; A537-K542 HydrophobicContact CB-CB 4.29Å; A537-K542 PolarHBondContact O-N 2.83Å; A537-V543 HydrophobicContact CB-CG2 3.78Å
538	I	95.5	Very high	89.5	Confident	6 Å²	6	59.3 Å²	59.3	3%	0.031	34%	0.337	C	S	.	.	H	α-helix	trans	-61.4	-55.9	169	-68.8	-73.4	0	0	0	109.5	F335 F378 A381 Q382 L385 Y412 T533 D534 I536 Q540 K541 V543	F335-I538 HydrophobicContact CE2-CG2 4.15Å; F335-I538 HydrophobicContact CZ-CG2 3.91Å; F335-I538 WeakPolarHBondContact CZ-O 3.49Å; F378-I538 HydrophobicContact CD2-CD1 3.63Å; F378-I538 HydrophobicContact CE2-CD1 3.97Å; A381-I538 HydrophobicContact CB-CG1 4.36Å; A381-I538 HydrophobicContact CB-CG2 4.36Å; Q382-I538 HydrophobicContact CG-CG2 3.74Å; L385-I538 HydrophobicContact CD1-CB 4.15Å; L385-I538 HydrophobicContact CD1-CG2 3.6Å; Y412-I538 WeakPolarHBondContact CE1-O 3.31Å; T533-I538 HydrophobicContact CG2-CG1 4.12Å; D534-I538 VanDerWaalsContact O-CG1 3.28Å; D534-I538 WeakPolarHBondContact O-CG1 3.31Å; D534-I538 PolarHBondContact O-N 3.13Å; I536-I538 VanDerWaalsContact C-N 3.31Å; I536-I538 PolarHBondContact O-N 2.84Å; I538-Q540 VanDerWaalsContact C-N 3.35Å; I538-Q540 PolarHBondContact O-N 2.9Å; I538-K541 PolarHBondContact O-N 3.46Å; I538-V543 HydrophobicContact CD1-CB 3.99Å; I538-V543 HydrophobicContact CD1-CG1 4.27Å; I538-V543 HydrophobicContact CD1-CG2 3.79Å; I538-V543 HydrophobicContact CG1-CG2 4.07Å
539	Y	94	Very high	89.1	Confident	9 Å²	9	54.2 Å²	54.2	4%	0.035	32%	0.318	C	S	.	.	H	α-helix	trans	-53.7	-46.5	180	176.4	-110.8	0	0	0	113.1	I225 H227 F246 E249 F333 P334 W535 I536 K541	I225-Y539 HydrophobicContact CD1-CD1 3.74Å; I225-Y539 HydrophobicContact CD1-CE1 3.81Å; I225-Y539 HydrophobicContact CG2-CD1 4.39Å; I225-Y539 HydrophobicContact CG2-CE1 4.29Å; H227-Y539 AromaticContact CE1-CE1 3.82Å; H227-Y539 AromaticContact NE2-CE1 3.93Å; F246-Y539 HydrophobicContact CD2-CD1 4.43Å; F246-Y539 HydrophobicContact CD2-CD2 4.45Å; F246-Y539 HydrophobicContact CD2-CG 4.18Å; F246-Y539 HydrophobicContact CE2-CD1 4.26Å; F246-Y539 AromaticContact CE2-CD2 3.57Å; F246-Y539 HydrophobicContact CE2-CD2 3.57Å; F246-Y539 AromaticContact CE2-CE2 3.95Å; F246-Y539 HydrophobicContact CE2-CE2 3.95Å; F246-Y539 AromaticContact CE2-CG 3.73Å; F246-Y539 HydrophobicContact CE2-CG 3.73Å; F246-Y539 HydrophobicContact CZ-CD2 4.34Å; E249-Y539 HydrophobicContact CG-CE1 3.69Å; E249-Y539 WeakPolarHBondContact CG-OH 3.38Å; E249-Y539 WeakPolarHBondContact OE1-CE1 3.18Å; E249-Y539 PolarHBondContact OE1-OH 3.49Å; F333-Y539 HydrophobicContact CD2-CE2 4.25Å; F333-Y539 HydrophobicContact CE2-CD2 4.09Å; F333-Y539 AromaticContact CE2-CE2 3.59Å; F333-Y539 HydrophobicContact CE2-CE2 3.59Å; F333-Y539 HydrophobicContact CZ-CD2 4.01Å; F333-Y539 AromaticContact CZ-CE2 3.99Å; F333-Y539 HydrophobicContact CZ-CE2 3.99Å; P334-Y539 HydrophobicContact CG-CD2 4.01Å; P334-Y539 HydrophobicContact CG-CE2 3.55Å; W535-Y539 WeakPolarHBondContact O-CB 3.28Å; W535-Y539 PolarHBondContact O-N 2.87Å; W535-Y539 VanDerWaalsContact O-N 3.09Å; I536-Y539 PolarHBondContact O-N 2.9Å; Y539-K541 PolarHBondContact O-N 2.83Å; Y539-K541 VanDerWaalsContact O-N 3.1Å
540	Q	93.1	Very high	88.6	Confident	42 Å²	42	57.1 Å²	57.1	20%	0.196	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	4.3	178.9	-68	-174.7	-29.5	0	0	114.5	I225 I536 I538 K542	I225-Q540 HydrophobicContact CG2-CG 3.84Å; I536-Q540 HydrophobicContact CG2-CG 4.33Å; I536-Q540 WeakPolarHBondContact O-CB 3.4Å; I536-Q540 WeakPolarHBondContact O-CG 3.43Å; I536-Q540 PolarHBondContact O-N 3.38Å; I538-Q540 VanDerWaalsContact C-N 3.35Å; I538-Q540 PolarHBondContact O-N 2.9Å; Q540-K542 VanDerWaalsContact C-N 3.27Å; Q540-K542 HydrophobicContact CB-CD 3.97Å; Q540-K542 HydrophobicContact CB-CG 3.92Å; Q540-K542 PolarHBondContact O-N 2.85Å; Q540-K542 VanDerWaalsContact OE1-CD 3.31Å
541	K	93.1	Very high	88	Confident	67 Å²	67	60.1 Å²	60.1	29%	0.291	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.6	38	-172	-63.4	-162.8	173.1	-176.9	0	114.5	P334 F335 D408 Y412 A537 I538 Y539	P334-K541 WeakPolarHBondContact O-CE 3.41Å; P334-K541 PolarHBondContact O-NZ 2.94Å; F335-K541 HydrophobicContact CE1-CG 4.16Å; D408-K541 IonicContact OD2-NZ 2.68Å; D408-K541 PolarHBondContact OD2-NZ 3.36Å; Y412-K541 HydrophobicContact CD1-CD 4.06Å; Y412-K541 HydrophobicContact CD1-CG 3.78Å; Y412-K541 HydrophobicContact CD2-CB 4.31Å; Y412-K541 HydrophobicContact CD2-CD 4.15Å; Y412-K541 HydrophobicContact CD2-CG 4.22Å; Y412-K541 HydrophobicContact CE1-CB 4.22Å; Y412-K541 HydrophobicContact CE1-CG 3.84Å; Y412-K541 HydrophobicContact CE2-CB 4Å; Y412-K541 HydrophobicContact CE2-CG 4.27Å; Y412-K541 HydrophobicContact CG-CD 3.82Å; Y412-K541 HydrophobicContact CG-CG 3.98Å; Y412-K541 WeakPolarHBondContact OH-CA 3.36Å; A537-K541 PolarHBondContact O-N 3.39Å; I538-K541 PolarHBondContact O-N 3.46Å; Y539-K541 PolarHBondContact O-N 2.83Å; Y539-K541 VanDerWaalsContact O-N 3.1Å
542	K	92.4	Very high	87.5	Confident	110 Å²	110	59.4 Å²	59.4	48%	0.478	33%	0.33	S	S	.	.			trans	-99	-7.3	-177.8	-71	-178.1	-177.9	169.8	0	115	A537 Q540	A537-K542 HydrophobicContact CB-CB 4.29Å; A537-K542 PolarHBondContact O-N 2.83Å; Q540-K542 VanDerWaalsContact C-N 3.27Å; Q540-K542 HydrophobicContact CB-CD 3.97Å; Q540-K542 HydrophobicContact CB-CG 3.92Å; Q540-K542 PolarHBondContact O-N 2.85Å; Q540-K542 VanDerWaalsContact OE1-CD 3.31Å
543	V	90.3	Very high	87.1	Confident	51 Å²	51	57.3 Å²	57.3	31%	0.309	31%	0.31	S	S	.	.	S	Bend	trans	-84.1	133.7	175.9	179.1	0	0	0	0	109	F378 Y412 A537 I538 S545	F378-V543 HydrophobicContact CD2-CG1 4.11Å; F378-V543 HydrophobicContact CE2-CB 4.25Å; F378-V543 HydrophobicContact CE2-CG1 4.17Å; Y412-V543 PolarHBondContact OH-N 3.39Å; Y412-V543 VanDerWaalsContact OH-N 3.12Å; Y412-V543 PolarHBondContact OH-O 3.38Å; A537-V543 HydrophobicContact CB-CG2 3.78Å; I538-V543 HydrophobicContact CD1-CB 3.99Å; I538-V543 HydrophobicContact CD1-CG1 4.27Å; I538-V543 HydrophobicContact CD1-CG2 3.79Å; I538-V543 HydrophobicContact CG1-CG2 4.07Å; V543-S545 PolarHBondContact O-N 3.18Å
544	S	84.3	Confident	86.5	Confident	106 Å²	106	59.6 Å²	59.6	74%	0.741	32%	0.321	S	S	*	.	P	Polyproline II helix	trans	-63.5	125.1	174.7	-171.9	0	0	0	0	109.8
545	S	78.2	Confident	85.9	Confident	39 Å²	39	57.3 Å²	57.3	27%	0.273	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-73.8	161.6	175.5	51.9	0	0	0	0	111.8	T410 V543	T410-S545 WeakPolarHBondContact O-CB 3.37Å; T410-S545 PolarHBondContact O-OG 3.11Å; V543-S545 PolarHBondContact O-N 3.18Å
546	Y	74.2	Confident	85.1	Confident	89 Å²	89	59.1 Å²	59.1	35%	0.349	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-86.2	139.9	172.1	-60.5	-92.6	0	0	0	109.6	P374 H375 F378 I548	P374-Y546 HydrophobicContact CB-CE1 4.41Å; P374-Y546 WeakPolarHBondContact CB-OH 3.2Å; H375-Y546 HydrophobicContact CB-CD1 4.32Å; H375-Y546 HydrophobicContact CB-CD2 4.02Å; H375-Y546 HydrophobicContact CB-CE2 4.3Å; H375-Y546 HydrophobicContact CB-CG 4.05Å; H375-Y546 AromaticContact CD2-CD2 3.73Å; H375-Y546 AromaticContact CD2-CG 3.89Å; H375-Y546 AromaticContact CG-CD2 3.99Å; H375-Y546 AromaticContact CG-CG 3.88Å; F378-Y546 HydrophobicContact CB-CD2 4.23Å; F378-Y546 HydrophobicContact CB-CE2 3.79Å; F378-Y546 HydrophobicContact CD1-CD2 4.27Å; F378-Y546 HydrophobicContact CG-CD2 4.3Å; F378-Y546 HydrophobicContact CG-CE2 4.2Å; Y546-I548 VanDerWaalsContact O-CG1 3.24Å; Y546-I548 WeakPolarHBondContact O-CG1 3.43Å
547	P	63.3	Low	84.4	Confident	126 Å²	126	61.2 Å²	61.2	82%	0.818	34%	0.335	S	S	*	.	P	Polyproline II helix	trans	-66.1	155.1	171.4	28.9	-34.6	0	0	0	111.9
548	I	59.6	Low	83.4	Confident	74 Å²	74	65.4 Å²	65.4	38%	0.379	36%	0.355	S	S	.	.			trans	-145.4	0	-163.8	-29.1	173.5	0	0	0	111.6	H364 R367 I368 Y379 I407 Y546	H364-I548 HydrophobicContact CB-CG2 3.69Å; H364-I548 VanDerWaalsContact ND1-CG2 3.34Å; H364-I548 WeakPolarHBondContact ND1-CG2 3.34Å; R367-I548 PolarHBondContact NH1-OXT 3.04Å; I368-I548 HydrophobicContact CD1-CG2 3.83Å; Y379-I548 VanDerWaalsContact OH-CD1 3.25Å; Y379-I548 WeakPolarHBondContact OH-CD1 3.44Å; I407-I548 HydrophobicContact CD1-CD1 3.94Å; I407-I548 HydrophobicContact CG2-CD1 3.69Å; Y546-I548 VanDerWaalsContact O-CG1 3.24Å; Y546-I548 WeakPolarHBondContact O-CG1 3.43Å

Retrieved 548 of 548 residues in 2356.3 ms (Link to these results)

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