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Casein kinase II subunit beta

Regulatory subunit of casein kinase II/CK2. As part of the kinase complex regulates the basal catalytic activity of the alpha subunit a constitutively active serine/threonine-protein kinase that phosphorylates a large number of substrates containing acidic residues C-terminal to the phosphorylated serine or threonine (By similarity). Participates in Wnt signaling (By similarity).

AlphaFold DB , UniProt , Accession Q91398, Species DANRE (Danio rerio, Zebrafish), Gene csnk2b, Length 215 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.1	Very low	73.5	Confident	247 Å²	247	101.5 Å²	101.5	100%	1.217	57%	0.572	S	S	*	*				0	100.8	0	-71.3	-171.8	162	0	0	104.9
2	S	46	Very low	75.5	Confident	106 Å²	106	102.9 Å²	102.9	74%	0.741	56%	0.562	S	S	*	*			trans	-67	134.8	175.1	-163.7	0	0	0	0	106.9
3	S	48.2	Very low	77.3	Confident	97 Å²	97	95.5 Å²	95.5	68%	0.678	52%	0.521	S	S	*	.			trans	-49.3	144.4	168	48.8	0	0	0	0	108.7	E5	S3-E5 PolarHBondContact O-N 3.28Å
4	S	54.2	Low	78.8	Confident	111 Å²	111	89.9 Å²	89.9	78%	0.776	49%	0.492	S	S	*	.			trans	-45.3	110.5	164.3	42.5	0	0	0	0	107.9	E6	S4-E6 PolarHBondContact O-N 3.24Å
5	E	62.5	Low	80.1	Confident	168 Å²	168	88.3 Å²	88.3	79%	0.785	50%	0.504	S	S	*	.			trans	-60.4	106.4	168	-82.7	173.2	159.8	0	0	105.2	S3 V7	S3-E5 PolarHBondContact O-N 3.28Å; E5-V7 PolarHBondContact O-N 3.11Å
6	E	79.9	Confident	81.2	Confident	188 Å²	188	86.1 Å²	86.1	88%	0.879	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-55.6	122.1	167.4	-111.5	166.3	167.4	0	0	106.7	S4 S8	S4-E6 PolarHBondContact O-N 3.24Å; E6-S8 PolarHBondContact O-N 3.05Å
7	V	90.4	Very high	82.2	Confident	99 Å²	99	93.1 Å²	93.1	60%	0.6	51%	0.507	S	S	*	.	P	Polyproline II helix	trans	-71.3	119.5	178.5	179.1	0	0	0	0	106.2	E5 W12	E5-V7 PolarHBondContact O-N 3.11Å; V7-W12 HydrophobicContact CG1-CB 4.08Å
8	S	96.2	Very high	83	Confident	31 Å²	31	88.1 Å²	88.1	22%	0.217	48%	0.481	C	S	.	.	P	Polyproline II helix	trans	-59.6	154.7	177.2	64.1	0	0	0	0	111.2	E6 I10 S11 W12 D55	E6-S8 PolarHBondContact O-N 3.05Å; S8-I10 PolarHBondContact O-N 3.2Å; S8-I10 VanDerWaalsContact O-N 3.17Å; S8-S11 PolarHBondContact O-N 3.34Å; S8-S11 VanDerWaalsContact O-N 3.11Å; S8-S11 PolarHBondContact OG-N 2.92Å; S8-W12 WeakPolarHBondContact O-CB 3.3Å; S8-W12 PolarHBondContact O-N 3.2Å; S8-D55 WeakPolarHBondContact CA-OD2 3.44Å; S8-D55 VanDerWaalsContact CB-OD2 3.28Å; S8-D55 WeakPolarHBondContact CB-OD2 3.17Å
9	W	97.6	Very high	83.8	Confident	23 Å²	23	84.6 Å²	84.6	9%	0.087	46%	0.462	C	S	.	.	H	α-helix	trans	-52.4	-40.4	176.1	-174.7	98.1	0	0	0	111.4	W12 F13 I53 D55 A76 E77 Y80	W9-W12 HydrophobicContact CD2-CE3 4.45Å; W9-W12 AromaticContact CE2-CZ3 3.91Å; W9-W12 HydrophobicContact CG-CE3 4.37Å; W9-W12 HydrophobicContact CZ2-CZ3 4.26Å; W9-W12 AromaticContact NE1-CZ3 3.63Å; W9-W12 PolarHBondContact O-N 3.34Å; W9-F13 HydrophobicContact CD2-CB 4.47Å; W9-F13 HydrophobicContact CE3-CB 4.07Å; W9-F13 HydrophobicContact CH2-CB 3.94Å; W9-F13 HydrophobicContact CH2-CD1 4.39Å; W9-F13 AromaticContact CH2-CD2 3.72Å; W9-F13 HydrophobicContact CH2-CD2 3.72Å; W9-F13 HydrophobicContact CH2-CE2 4.34Å; W9-F13 AromaticContact CH2-CG 3.74Å; W9-F13 HydrophobicContact CH2-CG 3.74Å; W9-F13 HydrophobicContact CZ2-CB 4.38Å; W9-F13 HydrophobicContact CZ2-CD2 4.08Å; W9-F13 HydrophobicContact CZ2-CG 4.39Å; W9-F13 HydrophobicContact CZ3-CB 3.77Å; W9-F13 HydrophobicContact CZ3-CD1 4.37Å; W9-F13 HydrophobicContact CZ3-CD2 4.35Å; W9-F13 AromaticContact CZ3-CG 3.91Å; W9-F13 HydrophobicContact CZ3-CG 3.91Å; W9-F13 VanDerWaalsContact O-CB 3.31Å; W9-F13 WeakPolarHBondContact O-CB 3.4Å; W9-F13 PolarHBondContact O-N 3.02Å; W9-I53 HydrophobicContact CD2-CG1 4.34Å; W9-I53 HydrophobicContact CE3-CB 4.24Å; W9-I53 HydrophobicContact CE3-CG1 3.98Å; W9-I53 HydrophobicContact CE3-CG2 4.15Å; W9-I53 HydrophobicContact CH2-CG1 4.12Å; W9-I53 HydrophobicContact CZ2-CG1 4.43Å; W9-I53 HydrophobicContact CZ3-CG1 3.89Å; W9-I53 HydrophobicContact CZ3-CG2 4.39Å; W9-D55 WeakPolarHBondContact CB-OD1 3.42Å; W9-D55 PolarHBondContact N-OD1 3.39Å; W9-D55 PolarHBondContact N-OD2 3.31Å; W9-A76 HydrophobicContact CH2-CB 4.48Å; W9-A76 HydrophobicContact CZ2-CB 3.82Å; W9-E77 HydrophobicContact CZ2-CG 4.43Å; W9-Y80 HydrophobicContact CH2-CG 4.07Å; W9-Y80 HydrophobicContact CZ3-CD1 4.11Å; W9-Y80 AromaticContact CZ3-CD2 3.79Å; W9-Y80 HydrophobicContact CZ3-CD2 3.79Å; W9-Y80 HydrophobicContact CZ3-CE2 4.5Å; W9-Y80 AromaticContact CZ3-CG 3.57Å; W9-Y80 HydrophobicContact CZ3-CG 3.57Å
10	I	98.3	Very high	84.6	Confident	5 Å²	5	83.1 Å²	83.1	3%	0.026	45%	0.451	C	S	.	.	H	α-helix	trans	-61.9	-50.5	178.8	-65.1	177.1	0	0	0	111.4	S8 W12 F13 C14 E24 E27 I30 I53 Y80	S8-I10 PolarHBondContact O-N 3.2Å; S8-I10 VanDerWaalsContact O-N 3.17Å; I10-W12 VanDerWaalsContact C-N 3.32Å; I10-W12 PolarHBondContact O-N 2.92Å; I10-F13 PolarHBondContact O-N 3.09Å; I10-C14 WeakPolarHBondContact O-CB 3.49Å; I10-C14 PolarHBondContact O-N 3.5Å; I10-E24 HydrophobicContact CG2-CB 3.89Å; I10-E24 HydrophobicContact CG2-CG 4.13Å; I10-E27 HydrophobicContact CD1-CG 4.14Å; I10-I30 HydrophobicContact CD1-CD1 3.7Å; I10-I53 HydrophobicContact CD1-CG2 4.38Å; I10-I53 HydrophobicContact CG1-CG2 4.2Å; I10-Y80 HydrophobicContact CB-CE2 4.44Å; I10-Y80 HydrophobicContact CD1-CE2 4.17Å; I10-Y80 HydrophobicContact CG1-CD2 4.42Å; I10-Y80 HydrophobicContact CG1-CE2 3.84Å; I10-Y80 HydrophobicContact CG2-CE2 4.02Å; I10-Y80 WeakPolarHBondContact CG2-OH 3.18Å
11	S	98	Very high	85.3	Confident	41 Å²	41	79.3 Å²	79.3	29%	0.287	43%	0.43	S	S	.	.	H	α-helix	trans	-66.6	-37.8	-179.4	-168.6	0	0	0	0	111.3	S8 G15 E24	S8-S11 PolarHBondContact O-N 3.34Å; S8-S11 VanDerWaalsContact O-N 3.11Å; S8-S11 PolarHBondContact OG-N 2.92Å; S11-G15 PolarHBondContact O-N 3.34Å; S11-E24 PolarHBondContact OG-OE1 3.24Å
12	W	97.8	Very high	88.2	Confident	119 Å²	119	67.8 Å²	67.8	45%	0.451	37%	0.374	S	S	.	.	H	α-helix	trans	-58.7	-53.1	171.6	167	80.2	0	0	0	111.5	V7 S8 W9 I10 C14 G15 L16	V7-W12 HydrophobicContact CG1-CB 4.08Å; S8-W12 WeakPolarHBondContact O-CB 3.3Å; S8-W12 PolarHBondContact O-N 3.2Å; W9-W12 HydrophobicContact CD2-CE3 4.45Å; W9-W12 AromaticContact CE2-CZ3 3.91Å; W9-W12 HydrophobicContact CG-CE3 4.37Å; W9-W12 HydrophobicContact CZ2-CZ3 4.26Å; W9-W12 AromaticContact NE1-CZ3 3.63Å; W9-W12 PolarHBondContact O-N 3.34Å; I10-W12 VanDerWaalsContact C-N 3.32Å; I10-W12 PolarHBondContact O-N 2.92Å; W12-C14 PolarHBondContact O-N 3.35Å; W12-G15 PolarHBondContact O-N 2.93Å; W12-G15 VanDerWaalsContact O-N 3.11Å; W12-L16 HydrophobicContact CH2-CD1 3.94Å; W12-L16 HydrophobicContact CZ2-CD1 3.88Å; W12-L16 HydrophobicContact CZ2-CD2 4.16Å; W12-L16 HydrophobicContact CZ2-CG 4.47Å; W12-L16 HydrophobicContact CZ3-CD1 4.3Å; W12-L16 WeakPolarHBondContact O-CG 3.47Å; W12-L16 PolarHBondContact O-N 2.99Å
13	F	98.4	Very high	90.7	Very high	6 Å²	6	63 Å²	63	3%	0.026	34%	0.34	C	S	.	.	H	α-helix	trans	-61.2	-46.5	-177.7	178	-94.3	0	0	0	111.8	W9 I10 G15 L16 N19 F22 E77 Y80	W9-F13 HydrophobicContact CD2-CB 4.47Å; W9-F13 HydrophobicContact CE3-CB 4.07Å; W9-F13 HydrophobicContact CH2-CB 3.94Å; W9-F13 HydrophobicContact CH2-CD1 4.39Å; W9-F13 AromaticContact CH2-CD2 3.72Å; W9-F13 HydrophobicContact CH2-CD2 3.72Å; W9-F13 HydrophobicContact CH2-CE2 4.34Å; W9-F13 AromaticContact CH2-CG 3.74Å; W9-F13 HydrophobicContact CH2-CG 3.74Å; W9-F13 HydrophobicContact CZ2-CB 4.38Å; W9-F13 HydrophobicContact CZ2-CD2 4.08Å; W9-F13 HydrophobicContact CZ2-CG 4.39Å; W9-F13 HydrophobicContact CZ3-CB 3.77Å; W9-F13 HydrophobicContact CZ3-CD1 4.37Å; W9-F13 HydrophobicContact CZ3-CD2 4.35Å; W9-F13 AromaticContact CZ3-CG 3.91Å; W9-F13 HydrophobicContact CZ3-CG 3.91Å; W9-F13 VanDerWaalsContact O-CB 3.31Å; W9-F13 WeakPolarHBondContact O-CB 3.4Å; W9-F13 PolarHBondContact O-N 3.02Å; I10-F13 PolarHBondContact O-N 3.09Å; F13-G15 PolarHBondContact O-N 3.35Å; F13-L16 HydrophobicContact CD2-CD1 4.31Å; F13-L16 WeakPolarHBondContact O-CB 3.49Å; F13-L16 PolarHBondContact O-N 3.04Å; F13-N19 VanDerWaalsContact CE2-ND2 3.3Å; F13-N19 WeakPolarHBondContact CE2-ND2 3.25Å; F13-N19 VanDerWaalsContact CZ-ND2 3.29Å; F13-N19 WeakPolarHBondContact CZ-ND2 3.23Å; F13-N19 VanDerWaalsContact O-CB 3.3Å; F13-N19 WeakPolarHBondContact O-CB 3.32Å; F13-N19 PolarHBondContact O-ND2 3.48Å; F13-F22 HydrophobicContact CE1-CD1 4.34Å; F13-F22 HydrophobicContact CE1-CD2 4.02Å; F13-F22 HydrophobicContact CE1-CE1 4.35Å; F13-F22 HydrophobicContact CE1-CE2 4.01Å; F13-F22 HydrophobicContact CE1-CG 4.18Å; F13-F22 HydrophobicContact CE1-CZ 4.19Å; F13-F22 HydrophobicContact CZ-CE2 4.26Å; F13-F22 HydrophobicContact CZ-CZ 4.37Å; F13-E77 HydrophobicContact CD2-CG 4.18Å; F13-E77 HydrophobicContact CE2-CB 4.04Å; F13-E77 HydrophobicContact CE2-CG 3.69Å; F13-Y80 AromaticContact CD1-CD1 3.51Å; F13-Y80 HydrophobicContact CD1-CD1 3.51Å; F13-Y80 AromaticContact CD1-CE1 3.59Å; F13-Y80 HydrophobicContact CD1-CE1 3.59Å; F13-Y80 AromaticContact CE1-CD1 3.47Å; F13-Y80 HydrophobicContact CE1-CD1 3.47Å; F13-Y80 VanDerWaalsContact CE1-CD1 3.47Å; F13-Y80 AromaticContact CE1-CE1 3.79Å; F13-Y80 HydrophobicContact CE1-CE1 3.79Å; F13-Y80 HydrophobicContact CG-CD1 4.42Å; F13-Y80 HydrophobicContact CZ-CD1 4.35Å
14	C	98.5	Very high	93.1	Very high	17 Å²	17	62.7 Å²	62.7	12%	0.115	33%	0.327	C	S	.	.	H	α-helix	trans	-65.4	-26.3	177	-74.8	0	0	0	0	112.7	I10 W12 C23 E24	I10-C14 WeakPolarHBondContact O-CB 3.49Å; I10-C14 PolarHBondContact O-N 3.5Å; W12-C14 PolarHBondContact O-N 3.35Å; C14-C23 PolarHBondContact SG-O 3.37Å; C14-E24 HydrophobicContact CB-CG 3.95Å
15	G	97.7	Very high	95.2	Very high	66 Å²	66	57.6 Å²	57.6	68%	0.68	29%	0.292	S	S	*	.	H	α-helix	trans	-79.3	-11.3	175.2	0	0	0	0	0	115.2	S11 W12 F13	S11-G15 PolarHBondContact O-N 3.34Å; W12-G15 PolarHBondContact O-N 2.93Å; W12-G15 VanDerWaalsContact O-N 3.11Å; F13-G15 PolarHBondContact O-N 3.35Å
16	L	98.1	Very high	97	Very high	54 Å²	54	51.8 Å²	51.8	28%	0.283	27%	0.266	S	S	.	.	S	Bend	trans	-67.2	148.1	-179.6	-65.9	177.7	0	0	0	112.3	W12 F13 G18 N19	W12-L16 HydrophobicContact CH2-CD1 3.94Å; W12-L16 HydrophobicContact CZ2-CD1 3.88Å; W12-L16 HydrophobicContact CZ2-CD2 4.16Å; W12-L16 HydrophobicContact CZ2-CG 4.47Å; W12-L16 HydrophobicContact CZ3-CD1 4.3Å; W12-L16 WeakPolarHBondContact O-CG 3.47Å; W12-L16 PolarHBondContact O-N 2.99Å; F13-L16 HydrophobicContact CD2-CD1 4.31Å; F13-L16 WeakPolarHBondContact O-CB 3.49Å; F13-L16 PolarHBondContact O-N 3.04Å; L16-G18 PolarHBondContact O-N 2.66Å; L16-N19 HydrophobicContact CB-CB 4.36Å; L16-N19 WeakPolarHBondContact O-CB 3.43Å; L16-N19 PolarHBondContact O-N 2.98Å
17	R	98	Very high	97.8	Very high	205 Å²	205	46.8 Å²	46.8	77%	0.774	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	122	175	176.9	-179.8	173.2	168.6	-2.9	110.2	R150	R17-R150 HydrophobicContact CG-CB 4.42Å
18	G	97.6	Very high	98.1	Very high	3 Å²	3	46 Å²	46	3%	0.031	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	103.7	-15	-174.7	0	0	0	0	0	113.1	L16 E20 R150 H151 T154	L16-G18 PolarHBondContact O-N 2.66Å; G18-E20 WeakPolarHBondContact CA-OE2 3.41Å; G18-E20 PolarHBondContact N-OE2 3.14Å; G18-R150 WeakPolarHBondContact CA-O 3.29Å; G18-H151 PolarHBondContact O-CD2 3.26Å; G18-T154 PolarHBondContact O-OG1 3.2Å
19	N	98.6	Very high	98.2	Very high	22 Å²	22	46 Å²	46	12%	0.118	23%	0.231	C	C	.	.			trans	-101.6	12.9	-177.4	-69	-1.8	0	0	0	113.2	F13 L16 F21 F22	F13-N19 VanDerWaalsContact CE2-ND2 3.3Å; F13-N19 WeakPolarHBondContact CE2-ND2 3.25Å; F13-N19 VanDerWaalsContact CZ-ND2 3.29Å; F13-N19 WeakPolarHBondContact CZ-ND2 3.23Å; F13-N19 VanDerWaalsContact O-CB 3.3Å; F13-N19 WeakPolarHBondContact O-CB 3.32Å; F13-N19 PolarHBondContact O-ND2 3.48Å; L16-N19 HydrophobicContact CB-CB 4.36Å; L16-N19 WeakPolarHBondContact O-CB 3.43Å; L16-N19 PolarHBondContact O-N 2.98Å; N19-F21 PolarHBondContact O-N 3.44Å; N19-F22 HydrophobicContact CB-CD2 3.78Å; N19-F22 HydrophobicContact CB-CE2 4.26Å; N19-F22 WeakPolarHBondContact O-CD2 3.15Å; N19-F22 PolarHBondContact O-N 3.42Å
20	E	98.6	Very high	98.3	Very high	53 Å²	53	45 Å²	45	25%	0.248	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-14.9	-176.5	-58.9	96.1	146.6	0	0	113.7	G18 K100 R150 H151	G18-E20 WeakPolarHBondContact CA-OE2 3.41Å; G18-E20 PolarHBondContact N-OE2 3.14Å; E20-K100 VanDerWaalsContact O-CE 3.26Å; E20-K100 WeakPolarHBondContact O-CE 3.46Å; E20-K100 PolarHBondContact O-NZ 3.04Å; E20-R150 WeakPolarHBondContact OE1-CD 3.23Å; E20-R150 IonicContact OE1-CZ 3.65Å; E20-R150 IonicContact OE1-NE 3.19Å; E20-R150 IonicContact OE1-NH1 2.76Å; E20-R150 PolarHBondContact OE1-NH1 3.06Å; E20-H151 IonicContact OE2-CD2 2.77Å; E20-H151 IonicContact OE2-CE1 3.67Å; E20-H151 IonicContact OE2-NE2 2.89Å; E20-H151 PolarHBondContact OE2-NE2 2.96Å
21	F	98.8	Very high	98.2	Very high	4 Å²	4	50.7 Å²	50.7	2%	0.018	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-17	177.6	-64.4	-8.9	0	0	0	113.9	N19 F106 P121 V133 L135 P146 H151 F159	N19-F21 PolarHBondContact O-N 3.44Å; F21-F106 HydrophobicContact CB-CD1 4.17Å; F21-F106 HydrophobicContact CB-CE1 4.33Å; F21-F106 AromaticContact CD1-CD1 3.76Å; F21-F106 HydrophobicContact CD1-CD1 3.76Å; F21-F106 HydrophobicContact CE1-CB 4.45Å; F21-F106 HydrophobicContact CE1-CD1 4.47Å; F21-F106 HydrophobicContact CG-CD1 4.1Å; F21-F106 WeakPolarHBondContact O-CE1 3.4Å; F21-P121 HydrophobicContact CD2-CB 4.35Å; F21-V133 HydrophobicContact CD2-CG1 4.18Å; F21-V133 HydrophobicContact CD2-CG2 4.27Å; F21-V133 HydrophobicContact CE2-CG1 4.23Å; F21-L135 HydrophobicContact CE2-CD2 3.81Å; F21-L135 HydrophobicContact CZ-CD1 4.37Å; F21-L135 HydrophobicContact CZ-CD2 3.87Å; F21-P146 HydrophobicContact CE2-CB 4.47Å; F21-P146 HydrophobicContact CE2-CG 4.19Å; F21-H151 AromaticContact CE1-CE1 3.78Å; F21-H151 AromaticContact CE1-NE2 3.8Å; F21-H151 HydrophobicContact CE2-CB 3.98Å; F21-H151 AromaticContact CE2-CG 3.84Å; F21-H151 HydrophobicContact CZ-CB 4.22Å; F21-H151 AromaticContact CZ-CD2 3.89Å; F21-H151 AromaticContact CZ-CE1 3.85Å; F21-H151 AromaticContact CZ-CG 3.67Å; F21-H151 AromaticContact CZ-ND1 3.68Å; F21-F159 HydrophobicContact CB-CE1 3.7Å; F21-F159 HydrophobicContact CB-CZ 3.58Å
22	F	98.9	Very high	98.2	Very high	6 Å²	6	52.6 Å²	52.6	3%	0.026	26%	0.26	C	S	.	.			trans	-74.2	147.1	176.9	-68	-85.8	0	0	0	110.7	F13 N19 Y80 H84 K100 T154 Y158 F159	F13-F22 HydrophobicContact CE1-CD1 4.34Å; F13-F22 HydrophobicContact CE1-CD2 4.02Å; F13-F22 HydrophobicContact CE1-CE1 4.35Å; F13-F22 HydrophobicContact CE1-CE2 4.01Å; F13-F22 HydrophobicContact CE1-CG 4.18Å; F13-F22 HydrophobicContact CE1-CZ 4.19Å; F13-F22 HydrophobicContact CZ-CE2 4.26Å; F13-F22 HydrophobicContact CZ-CZ 4.37Å; N19-F22 HydrophobicContact CB-CD2 3.78Å; N19-F22 HydrophobicContact CB-CE2 4.26Å; N19-F22 WeakPolarHBondContact O-CD2 3.15Å; N19-F22 PolarHBondContact O-N 3.42Å; F22-Y80 HydrophobicContact CD1-CE1 4.29Å; F22-H84 HydrophobicContact CD1-CB 4.21Å; F22-H84 AromaticContact CD1-CD2 3.69Å; F22-H84 AromaticContact CD1-CE1 3.76Å; F22-H84 AromaticContact CD1-CG 3.62Å; F22-H84 AromaticContact CD1-ND1 3.67Å; F22-H84 AromaticContact CD1-NE2 3.77Å; F22-H84 HydrophobicContact CE1-CB 4.4Å; F22-K100 WeakPolarHBondContact O-CE 3.44Å; F22-K100 PolarHBondContact O-NZ 2.91Å; F22-T154 HydrophobicContact CE2-CG2 3.54Å; F22-T154 HydrophobicContact CZ-CG2 3.68Å; F22-Y158 HydrophobicContact CZ-CD2 4.09Å; F22-F159 HydrophobicContact CD1-CZ 4.38Å; F22-F159 HydrophobicContact CD2-CZ 4.41Å; F22-F159 HydrophobicContact CE1-CZ 4.18Å; F22-F159 HydrophobicContact CE2-CZ 4.23Å; F22-F159 HydrophobicContact CG-CZ 4.49Å; F22-F159 HydrophobicContact CZ-CE2 4.28Å; F22-F159 HydrophobicContact CZ-CZ 4.11Å
23	C	98.8	Very high	98.1	Very high	4 Å²	4	55.2 Å²	55.2	3%	0.027	28%	0.275	C	S	.	.			trans	-98.1	161	158.7	70.7	0	0	0	0	109.9	C14 V25 Y80 H84 Q96 M97 K100	C14-C23 PolarHBondContact SG-O 3.37Å; C23-V25 PolarHBondContact O-N 3.1Å; C23-Y80 PolarHBondContact O-OH 3.34Å; C23-H84 PolarHBondContact N-NE2 3.39Å; C23-H84 PolarHBondContact O-CD2 2.91Å; C23-Q96 HydrophobicContact CB-CB 3.97Å; C23-M97 HydrophobicContact CB-CG 4.4Å; C23-M97 HydrophobicContact CB-SD 3.73Å; C23-K100 HydrophobicContact CB-CD 4.14Å
24	E	98.8	Very high	98	Very high	91 Å²	91	62.6 Å²	62.6	43%	0.425	31%	0.307	S	S	.	.			trans	-80.2	110.2	177.4	-65.4	-176.3	-174.1	0	0	108.8	I10 S11 C14 D26 Q96	I10-E24 HydrophobicContact CG2-CB 3.89Å; I10-E24 HydrophobicContact CG2-CG 4.13Å; S11-E24 PolarHBondContact OG-OE1 3.24Å; C14-E24 HydrophobicContact CB-CG 3.95Å; E24-D26 PolarHBondContact O-N 3.34Å; E24-Q96 PolarHBondContact O-NE2 2.93Å; E24-Q96 PolarHBondContact O-OE1 3.32Å
25	V	98.8	Very high	98	Very high	4 Å²	4	63.5 Å²	63.5	2%	0.024	31%	0.311	C	S	.	.			trans	-67.8	130.5	179.3	178.4	0	0	0	0	109.2	C23 E27 Y29 I30 Y80 I83 H84 Y87	C23-V25 PolarHBondContact O-N 3.1Å; V25-E27 PolarHBondContact O-N 3.26Å; V25-Y29 HydrophobicContact CG1-CD1 3.91Å; V25-I30 HydrophobicContact CB-CD1 4.2Å; V25-I30 HydrophobicContact CG1-CD1 3.88Å; V25-I30 HydrophobicContact CG1-CG1 3.69Å; V25-Y80 HydrophobicContact CB-CE2 3.95Å; V25-Y80 HydrophobicContact CG2-CE2 3.84Å; V25-Y80 PolarHBondContact N-OH 3.23Å; V25-I83 HydrophobicContact CG1-CG2 4Å; V25-I83 HydrophobicContact CG2-CG2 4.47Å; V25-H84 HydrophobicContact CG2-CB 4.2Å; V25-Y87 HydrophobicContact CB-CD1 4.13Å; V25-Y87 HydrophobicContact CB-CE1 4.43Å; V25-Y87 HydrophobicContact CB-CG 4.25Å; V25-Y87 HydrophobicContact CG1-CD1 4.09Å; V25-Y87 HydrophobicContact CG1-CD2 3.81Å; V25-Y87 HydrophobicContact CG1-CE1 4.48Å; V25-Y87 HydrophobicContact CG1-CE2 4.25Å; V25-Y87 HydrophobicContact CG1-CG 3.72Å; V25-Y87 HydrophobicContact CG2-CD1 3.71Å; V25-Y87 HydrophobicContact CG2-CE1 4.4Å; V25-Y87 HydrophobicContact CG2-CG 3.93Å
26	D	98.3	Very high	98	Very high	47 Å²	47	60.5 Å²	60.5	25%	0.251	28%	0.279	S	S	.	.			trans	-60.3	130.1	177.1	-60.5	-12.2	0	0	0	110.2	E24 D28 Y29 I30 Y87 R92 Q96	E24-D26 PolarHBondContact O-N 3.34Å; D26-D28 WeakPolarHBondContact CB-OD1 3.47Å; D26-D28 PolarHBondContact O-N 2.85Å; D26-Y29 WeakPolarHBondContact O-CB 3.4Å; D26-Y29 PolarHBondContact O-N 3.16Å; D26-Y29 VanDerWaalsContact O-N 3.08Å; D26-I30 PolarHBondContact O-N 2.97Å; D26-Y87 HydrophobicContact CB-CE2 4.45Å; D26-Y87 PolarHBondContact OD1-OH 3.03Å; D26-Y87 VanDerWaalsContact OD1-OH 3.08Å; D26-Y87 PolarHBondContact OD2-OH 3.26Å; D26-R92 VanDerWaalsContact OD2-CD 3.25Å; D26-R92 WeakPolarHBondContact OD2-CD 3.26Å; D26-R92 IonicContact OD2-NH1 3.67Å; D26-R92 PolarHBondContact OD2-NH1 2.85Å; D26-Q96 PolarHBondContact OD1-NE2 2.98Å
27	E	97.2	Very high	98	Very high	82 Å²	82	62 Å²	62	38%	0.383	29%	0.291	S	S	.	.	H	α-helix	trans	-60.5	-31.4	178.3	-73.7	178.6	-145.1	0	0	112.7	I10 V25 Y29 I30 Q31 L54	I10-E27 HydrophobicContact CD1-CG 4.14Å; V25-E27 PolarHBondContact O-N 3.26Å; E27-Y29 PolarHBondContact O-N 3.04Å; E27-I30 PolarHBondContact O-N 2.85Å; E27-I30 VanDerWaalsContact O-N 3.08Å; E27-Q31 WeakPolarHBondContact O-CB 2.95Å; E27-Q31 VanDerWaalsContact O-CG 3.27Å; E27-Q31 WeakPolarHBondContact O-CG 3.41Å; E27-Q31 PolarHBondContact O-N 2.87Å; E27-L54 HydrophobicContact CG-CD2 4.36Å
28	D	97.8	Very high	98	Very high	82 Å²	82	53.4 Å²	53.4	44%	0.439	27%	0.266	S	S	.	.	H	α-helix	trans	-62.6	-32.8	177.3	73.4	-16.3	0	0	0	112.2	D26 D32 R92	D26-D28 WeakPolarHBondContact CB-OD1 3.47Å; D26-D28 PolarHBondContact O-N 2.85Å; D28-D32 PolarHBondContact O-N 3.03Å; D28-R92 IonicContact OD1-NH1 2.8Å; D28-R92 PolarHBondContact OD1-NH1 3.08Å; D28-R92 VanDerWaalsContact OD1-NH1 3.14Å; D28-R92 IonicContact OD2-CZ 3.78Å; D28-R92 IonicContact OD2-NH1 3.75Å; D28-R92 PolarHBondContact OD2-NH1 2.92Å; D28-R92 IonicContact OD2-NH2 3.14Å
29	Y	98.7	Very high	98	Very high	33 Å²	33	53.4 Å²	53.4	13%	0.129	27%	0.265	C	S	.	.	H	α-helix	trans	-68.9	-38.9	173.3	-179.7	-93.8	0	0	0	111.7	V25 D26 E27 N35 I83 Y87 T90	V25-Y29 HydrophobicContact CG1-CD1 3.91Å; D26-Y29 WeakPolarHBondContact O-CB 3.4Å; D26-Y29 PolarHBondContact O-N 3.16Å; D26-Y29 VanDerWaalsContact O-N 3.08Å; E27-Y29 PolarHBondContact O-N 3.04Å; Y29-N35 HydrophobicContact CD1-CB 4.39Å; Y29-N35 HydrophobicContact CD2-CB 4.36Å; Y29-N35 VanDerWaalsContact CD2-ND2 3.33Å; Y29-N35 WeakPolarHBondContact CD2-ND2 3.37Å; Y29-N35 HydrophobicContact CE1-CB 3.92Å; Y29-N35 HydrophobicContact CE2-CB 3.87Å; Y29-N35 WeakPolarHBondContact CE2-ND2 3.38Å; Y29-N35 PolarHBondContact O-ND2 2.95Å; Y29-I83 HydrophobicContact CD1-CG2 4.47Å; Y29-I83 HydrophobicContact CE1-CG2 4.32Å; Y29-Y87 AromaticContact CD1-CD2 3.61Å; Y29-Y87 HydrophobicContact CD1-CD2 3.61Å; Y29-Y87 HydrophobicContact CD1-CE2 4.43Å; Y29-Y87 HydrophobicContact CD1-CG 4.36Å; Y29-Y87 AromaticContact CD2-CD2 3.97Å; Y29-Y87 HydrophobicContact CD2-CD2 3.97Å; Y29-Y87 HydrophobicContact CD2-CE2 4.39Å; Y29-Y87 AromaticContact CE1-CD2 3.94Å; Y29-Y87 HydrophobicContact CE1-CD2 3.94Å; Y29-Y87 HydrophobicContact CE1-CG 4.43Å; Y29-Y87 HydrophobicContact CE2-CD2 4.28Å; Y29-Y87 AromaticContact CG-CD2 3.62Å; Y29-Y87 HydrophobicContact CG-CD2 3.62Å; Y29-Y87 HydrophobicContact CG-CE2 4.07Å; Y29-T90 HydrophobicContact CD2-CG2 4.4Å; Y29-T90 HydrophobicContact CE2-CG2 3.64Å
30	I	98.5	Very high	97.9	Very high	2 Å²	2	56.4 Å²	56.4	1%	0.01	28%	0.281	C	S	.	.	H	α-helix	trans	-72.5	-41.1	179.1	-57.2	178.5	0	0	0	110.9	I10 V25 D26 E27 D32 L36 L50 I53 L54 I83	I10-I30 HydrophobicContact CD1-CD1 3.7Å; V25-I30 HydrophobicContact CB-CD1 4.2Å; V25-I30 HydrophobicContact CG1-CD1 3.88Å; V25-I30 HydrophobicContact CG1-CG1 3.69Å; D26-I30 PolarHBondContact O-N 2.97Å; E27-I30 PolarHBondContact O-N 2.85Å; E27-I30 VanDerWaalsContact O-N 3.08Å; I30-D32 PolarHBondContact O-N 3.29Å; I30-L36 HydrophobicContact CG2-CD1 4.3Å; I30-L36 WeakPolarHBondContact O-CD1 3.36Å; I30-L50 HydrophobicContact CG2-CD1 3.65Å; I30-I53 HydrophobicContact CD1-CG2 4.11Å; I30-L54 HydrophobicContact CB-CD2 4.12Å; I30-L54 HydrophobicContact CG2-CD1 4.21Å; I30-L54 HydrophobicContact CG2-CD2 3.78Å; I30-L54 HydrophobicContact CG2-CG 4.13Å; I30-I83 HydrophobicContact CD1-CG2 4.49Å; I30-I83 HydrophobicContact CG1-CG2 4.07Å; I30-I83 HydrophobicContact CG2-CD1 4.34Å
31	Q	97.2	Very high	97.9	Very high	123 Å²	123	62 Å²	62	58%	0.575	31%	0.307	S	S	*	.	H	α-helix	trans	-65.7	-26.6	179.8	-72.3	175.1	1.4	0	0	112.6	E27 K33 L54	E27-Q31 WeakPolarHBondContact O-CB 2.95Å; E27-Q31 VanDerWaalsContact O-CG 3.27Å; E27-Q31 WeakPolarHBondContact O-CG 3.41Å; E27-Q31 PolarHBondContact O-N 2.87Å; Q31-K33 PolarHBondContact O-N 3.4Å; Q31-K33 VanDerWaalsContact O-N 3.12Å; Q31-L54 HydrophobicContact CG-CD2 4.39Å
32	D	97.8	Very high	97.7	Very high	81 Å²	81	66.6 Å²	66.6	43%	0.433	33%	0.329	S	S	.	.			trans	-75.4	98.3	169.8	-175.9	-1.7	0	0	0	111.3	D28 I30 F34 N35	D28-D32 PolarHBondContact O-N 3.03Å; I30-D32 PolarHBondContact O-N 3.29Å; D32-F34 PolarHBondContact O-N 3.32Å; D32-F34 VanDerWaalsContact OD1-CB 3.3Å; D32-F34 WeakPolarHBondContact OD1-CB 3.34Å; D32-F34 PolarHBondContact OD1-N 3.26Å; D32-N35 WeakPolarHBondContact O-CB 3.37Å; D32-N35 PolarHBondContact O-N 3.5Å
33	K	94.9	Very high	97.6	Very high	175 Å²	175	66.6 Å²	66.6	76%	0.761	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-24.4	-179.9	-63.8	-176.1	-179.6	-177.4	0	114	Q31 N35 L36	Q31-K33 PolarHBondContact O-N 3.4Å; Q31-K33 VanDerWaalsContact O-N 3.12Å; K33-N35 VanDerWaalsContact C-N 3.25Å; K33-N35 PolarHBondContact O-N 3.25Å; K33-L36 PolarHBondContact O-N 3.49Å
34	F	97.6	Very high	97.5	Very high	160 Å²	160	70 Å²	70	70%	0.702	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-38.4	177.4	-173.6	-100.4	0	0	0	111.5	D32 L36 T37	D32-F34 PolarHBondContact O-N 3.32Å; D32-F34 VanDerWaalsContact OD1-CB 3.3Å; D32-F34 WeakPolarHBondContact OD1-CB 3.34Å; D32-F34 PolarHBondContact OD1-N 3.26Å; F34-L36 PolarHBondContact O-N 3.11Å; F34-T37 WeakPolarHBondContact O-CB 3.34Å; F34-T37 PolarHBondContact O-N 3.49Å; F34-T37 PolarHBondContact O-OG1 3.48Å
35	N	98	Very high	97.3	Very high	36 Å²	36	68.9 Å²	68.9	19%	0.193	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-25	179.7	-62.1	-37.4	0	0	0	112.8	Y29 D32 K33 R86	Y29-N35 HydrophobicContact CD1-CB 4.39Å; Y29-N35 HydrophobicContact CD2-CB 4.36Å; Y29-N35 VanDerWaalsContact CD2-ND2 3.33Å; Y29-N35 WeakPolarHBondContact CD2-ND2 3.37Å; Y29-N35 HydrophobicContact CE1-CB 3.92Å; Y29-N35 HydrophobicContact CE2-CB 3.87Å; Y29-N35 WeakPolarHBondContact CE2-ND2 3.38Å; Y29-N35 PolarHBondContact O-ND2 2.95Å; D32-N35 WeakPolarHBondContact O-CB 3.37Å; D32-N35 PolarHBondContact O-N 3.5Å; K33-N35 VanDerWaalsContact C-N 3.25Å; K33-N35 PolarHBondContact O-N 3.25Å; N35-R86 PolarHBondContact O-NH1 3.1Å
36	L	98.2	Very high	97.1	Very high	3 Å²	3	71.1 Å²	71.1	2%	0.016	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	1.7	-176.8	-51.5	-169.8	0	0	0	113.9	I30 K33 F34 G38 L39 Y46 L50 I83	I30-L36 HydrophobicContact CG2-CD1 4.3Å; I30-L36 WeakPolarHBondContact O-CD1 3.36Å; K33-L36 PolarHBondContact O-N 3.49Å; F34-L36 PolarHBondContact O-N 3.11Å; L36-G38 PolarHBondContact O-N 3.07Å; L36-L39 HydrophobicContact CD2-CD1 4.34Å; L36-L39 WeakPolarHBondContact O-CB 3.44Å; L36-L39 WeakPolarHBondContact O-CG 3.31Å; L36-L39 PolarHBondContact O-N 2.97Å; L36-L39 VanDerWaalsContact O-N 3.11Å; L36-Y46 WeakPolarHBondContact CB-OH 3.3Å; L36-Y46 WeakPolarHBondContact CD1-OH 3.44Å; L36-L50 HydrophobicContact CD1-CD1 3.93Å; L36-L50 HydrophobicContact CD1-CD2 3.93Å; L36-I83 HydrophobicContact CD2-CD1 3.7Å; L36-I83 HydrophobicContact CD2-CG1 3.67Å; L36-I83 HydrophobicContact CD2-CG2 4.43Å
37	T	97.9	Very high	97	Very high	87 Å²	87	76.7 Å²	76.7	53%	0.534	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	127.2	-174.5	-58.4	0	0	0	0	112.4	F34 L39 R86	F34-T37 WeakPolarHBondContact O-CB 3.34Å; F34-T37 PolarHBondContact O-N 3.49Å; F34-T37 PolarHBondContact O-OG1 3.48Å; T37-L39 VanDerWaalsContact C-N 3.32Å; T37-L39 PolarHBondContact O-N 2.89Å; T37-R86 PolarHBondContact O-NH1 3.45Å; T37-R86 PolarHBondContact O-NH2 3.17Å
38	G	97.1	Very high	96.9	Very high	24 Å²	24	75.2 Å²	75.2	25%	0.247	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.7	-3	176.7	0	0	0	0	0	115.8	L36 N40 Q42	L36-G38 PolarHBondContact O-N 3.07Å; G38-N40 VanDerWaalsContact C-N 3.34Å; G38-Q42 PolarHBondContact O-NE2 3.18Å
39	L	98	Very high	96.8	Very high	2 Å²	2	71.3 Å²	71.3	1%	0.01	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-75.1	-25.9	174.9	-65	-178.1	0	0	0	112.6	L36 T37 E41 Q42 V43 Y46 L79 L82 I83 R86	L36-L39 HydrophobicContact CD2-CD1 4.34Å; L36-L39 WeakPolarHBondContact O-CB 3.44Å; L36-L39 WeakPolarHBondContact O-CG 3.31Å; L36-L39 PolarHBondContact O-N 2.97Å; L36-L39 VanDerWaalsContact O-N 3.11Å; T37-L39 VanDerWaalsContact C-N 3.32Å; T37-L39 PolarHBondContact O-N 2.89Å; L39-E41 PolarHBondContact O-N 3.22Å; L39-E41 VanDerWaalsContact O-N 3.17Å; L39-Q42 PolarHBondContact O-N 2.86Å; L39-V43 PolarHBondContact O-N 3.22Å; L39-Y46 HydrophobicContact CB-CE2 4.02Å; L39-L79 HydrophobicContact CB-CD1 4.08Å; L39-L79 HydrophobicContact CD1-CD1 4.04Å; L39-L82 HydrophobicContact CD1-CB 4.47Å; L39-L82 HydrophobicContact CD2-CB 3.88Å; L39-L82 HydrophobicContact CD2-CD1 4.14Å; L39-I83 HydrophobicContact CD1-CG1 3.76Å; L39-R86 VanDerWaalsContact CD2-NH2 3.34Å
40	N	96.9	Very high	96.7	Very high	85 Å²	85	71 Å²	71	46%	0.455	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-62.4	-19.4	177	64.9	-68.8	0	0	0	114	G38 Y46	G38-N40 VanDerWaalsContact C-N 3.34Å; N40-Y46 HydrophobicContact CB-CD1 3.79Å; N40-Y46 HydrophobicContact CB-CD2 4.06Å; N40-Y46 HydrophobicContact CB-CE1 4Å; N40-Y46 HydrophobicContact CB-CE2 4.25Å; N40-Y46 HydrophobicContact CB-CG 3.82Å
41	E	97.3	Very high	96.6	Very high	171 Å²	171	72.3 Å²	72.3	80%	0.799	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-91.5	-11	176.3	-61.1	-178	174.3	0	0	112.6	L39	L39-E41 PolarHBondContact O-N 3.22Å; L39-E41 VanDerWaalsContact O-N 3.17Å
42	Q	96.1	Very high	96.5	Very high	100 Å²	100	68.8 Å²	68.8	47%	0.467	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105	-26	-174.2	-64	179.7	54.3	0	0	112.9	G38 L39 M78 L82	G38-Q42 PolarHBondContact O-NE2 3.18Å; L39-Q42 PolarHBondContact O-N 2.86Å; Q42-M78 WeakPolarHBondContact O-CE 3.29Å; Q42-L82 HydrophobicContact CB-CD1 4.4Å
43	V	96.9	Very high	96.5	Very high	7 Å²	7	64.9 Å²	64.9	4%	0.042	32%	0.315	C	S	.	.	S	Bend	trans	-113.9	127.2	-174.4	-172.1	0	0	0	0	110.6	L39 A75 M78 L79 L82	L39-V43 PolarHBondContact O-N 3.22Å; V43-A75 HydrophobicContact CG1-CB 3.94Å; V43-A75 WeakPolarHBondContact CG1-O 3.14Å; V43-M78 HydrophobicContact CG2-CE 4.45Å; V43-M78 HydrophobicContact CG2-CG 4.36Å; V43-L79 HydrophobicContact CG1-CB 4.1Å; V43-L79 HydrophobicContact CG2-CB 4.19Å; V43-L79 HydrophobicContact CG2-CD1 4.08Å; V43-L82 HydrophobicContact CG2-CD1 3.8Å
44	P	95.1	Very high	96.6	Very high	75 Å²	75	57.8 Å²	57.8	49%	0.487	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	153.2	172.4	30.9	-35.1	0	0	0	110.6	Y46 A75	P44-Y46 PolarHBondContact O-N 2.81Å; P44-Y46 VanDerWaalsContact O-N 3.09Å; P44-A75 HydrophobicContact CG-CB 4.35Å; P44-A75 VanDerWaalsContact O-CB 3.24Å; P44-A75 WeakPolarHBondContact O-CB 3.33Å
45	H	94.2	Very high	96.5	Very high	68 Å²	68	54.5 Å²	54.5	32%	0.315	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.5	34	179.4	-54.5	-76.5	0	0	0	113.8	R47 Q48 A49 I72	H45-R47 PolarHBondContact O-N 2.98Å; H45-Q48 HydrophobicContact CB-CB 4.41Å; H45-Q48 PolarHBondContact O-N 2.84Å; H45-Q48 PolarHBondContact O-OE1 3.36Å; H45-A49 WeakPolarHBondContact O-CB 3.5Å; H45-A49 PolarHBondContact O-N 3.32Å; H45-I72 HydrophobicContact CB-CG1 4.24Å
46	Y	96.1	Very high	96.3	Very high	50 Å²	50	57.1 Å²	57.1	20%	0.196	29%	0.288	C	S	.	.	H	α-helix	trans	-47.6	-42.7	-172	173.1	-97	0	0	0	114.1	L36 L39 N40 P44 L50 L79	L36-Y46 WeakPolarHBondContact CB-OH 3.3Å; L36-Y46 WeakPolarHBondContact CD1-OH 3.44Å; L39-Y46 HydrophobicContact CB-CE2 4.02Å; N40-Y46 HydrophobicContact CB-CD1 3.79Å; N40-Y46 HydrophobicContact CB-CD2 4.06Å; N40-Y46 HydrophobicContact CB-CE1 4Å; N40-Y46 HydrophobicContact CB-CE2 4.25Å; N40-Y46 HydrophobicContact CB-CG 3.82Å; P44-Y46 PolarHBondContact O-N 2.81Å; P44-Y46 VanDerWaalsContact O-N 3.09Å; Y46-L50 HydrophobicContact CE1-CD2 4.22Å; Y46-L50 VanDerWaalsContact O-CB 3.27Å; Y46-L50 WeakPolarHBondContact O-CB 3.38Å; Y46-L50 PolarHBondContact O-N 3.37Å; Y46-L79 HydrophobicContact CD2-CD1 4Å; Y46-L79 HydrophobicContact CD2-CD2 3.98Å; Y46-L79 HydrophobicContact CE2-CD1 3.73Å; Y46-L79 HydrophobicContact CE2-CD2 4Å
47	R	95.2	Very high	95.8	Very high	164 Å²	164	65.7 Å²	65.7	62%	0.619	33%	0.328	S	S	*	.	H	α-helix	trans	-65.4	-53.3	-179.9	-178.4	175.5	177.3	149.3	-2.7	111.2	H45 A49 L50 D51	H45-R47 PolarHBondContact O-N 2.98Å; R47-A49 VanDerWaalsContact C-N 3.3Å; R47-A49 PolarHBondContact O-N 3.22Å; R47-L50 PolarHBondContact O-N 3.2Å; R47-D51 WeakPolarHBondContact CG-OD2 3.4Å; R47-D51 IonicContact NE-OD2 3.73Å; R47-D51 WeakPolarHBondContact O-CB 3.06Å; R47-D51 PolarHBondContact O-N 2.95Å
48	Q	94.7	Very high	94.9	Very high	52 Å²	52	65.8 Å²	65.8	24%	0.243	33%	0.331	C	S	.	.	H	α-helix	trans	-61.6	-40.1	180	-62.6	85.3	-6.9	0	0	111.9	H45 D51 M52 L62 I72	H45-Q48 HydrophobicContact CB-CB 4.41Å; H45-Q48 PolarHBondContact O-N 2.84Å; H45-Q48 PolarHBondContact O-OE1 3.36Å; Q48-D51 PolarHBondContact O-N 3.3Å; Q48-M52 WeakPolarHBondContact O-CB 3.31Å; Q48-M52 PolarHBondContact O-N 2.96Å; Q48-L62 HydrophobicContact CG-CD1 3.87Å; Q48-I72 HydrophobicContact CB-CD1 3.95Å; Q48-I72 HydrophobicContact CB-CG1 4.04Å; Q48-I72 HydrophobicContact CB-CG2 3.88Å; Q48-I72 HydrophobicContact CG-CD1 4.21Å
49	A	96.4	Very high	93.7	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-62.8	-43.2	175.6	0	0	0	0	0	112	H45 R47 M52 I53 A75 A76 L79	H45-A49 WeakPolarHBondContact O-CB 3.5Å; H45-A49 PolarHBondContact O-N 3.32Å; R47-A49 VanDerWaalsContact C-N 3.3Å; R47-A49 PolarHBondContact O-N 3.22Å; A49-M52 PolarHBondContact O-N 3.16Å; A49-I53 VanDerWaalsContact O-CG1 3.28Å; A49-I53 WeakPolarHBondContact O-CG1 3.41Å; A49-I53 PolarHBondContact O-N 3.07Å; A49-I53 VanDerWaalsContact O-N 3.09Å; A49-A75 HydrophobicContact CB-CB 3.8Å; A49-A76 HydrophobicContact CB-CB 4.34Å; A49-L79 HydrophobicContact CB-CD2 4.05Å
50	L	97.3	Very high	92.3	Very high	25 Å²	25	76.6 Å²	76.6	13%	0.131	38%	0.377	C	S	.	.	H	α-helix	trans	-68.5	-41.5	177.6	-176.2	61.4	0	0	0	112	I30 L36 Y46 R47 M52 I53 L54 L79	I30-L50 HydrophobicContact CG2-CD1 3.65Å; L36-L50 HydrophobicContact CD1-CD1 3.93Å; L36-L50 HydrophobicContact CD1-CD2 3.93Å; Y46-L50 HydrophobicContact CE1-CD2 4.22Å; Y46-L50 VanDerWaalsContact O-CB 3.27Å; Y46-L50 WeakPolarHBondContact O-CB 3.38Å; Y46-L50 PolarHBondContact O-N 3.37Å; R47-L50 PolarHBondContact O-N 3.2Å; L50-M52 VanDerWaalsContact C-N 3.29Å; L50-M52 PolarHBondContact O-N 3.46Å; L50-I53 PolarHBondContact O-N 2.99Å; L50-L54 HydrophobicContact CD1-CD1 4.13Å; L50-L54 HydrophobicContact CD1-CG 4.42Å; L50-L54 HydrophobicContact CG-CD1 4.14Å; L50-L54 PolarHBondContact O-N 3.09Å; L50-L54 VanDerWaalsContact O-N 3.08Å; L50-L79 HydrophobicContact CB-CD2 3.93Å; L50-L79 HydrophobicContact CD1-CD2 4.33Å
51	D	95.6	Very high	90.6	Very high	30 Å²	30	81.3 Å²	81.3	16%	0.16	40%	0.397	C	S	.	.	H	α-helix	trans	-61.3	-41	177.3	-67.9	-17.1	0	0	0	110	R47 Q48 L54 D55 L56	R47-D51 WeakPolarHBondContact CG-OD2 3.4Å; R47-D51 IonicContact NE-OD2 3.73Å; R47-D51 WeakPolarHBondContact O-CB 3.06Å; R47-D51 PolarHBondContact O-N 2.95Å; Q48-D51 PolarHBondContact O-N 3.3Å; D51-L54 CarbonylContact O-C 3.49Å; D51-L54 PolarHBondContact O-N 3.35Å; D51-D55 PolarHBondContact O-N 3.28Å; D51-L56 HydrophobicContact CB-CB 4.07Å; D51-L56 HydrophobicContact CB-CD1 4.41Å; D51-L56 WeakPolarHBondContact O-CB 3.27Å; D51-L56 PolarHBondContact O-N 3.49Å
52	M	95.4	Very high	88.8	Confident	49 Å²	49	74.9 Å²	74.9	24%	0.241	37%	0.368	C	S	.	.	H	α-helix	trans	-62.3	-45.1	172.8	-179.5	179.9	-76.1	0	0	113.2	Q48 A49 L50 L54 D55 I72 E73 A76	Q48-M52 WeakPolarHBondContact O-CB 3.31Å; Q48-M52 PolarHBondContact O-N 2.96Å; A49-M52 PolarHBondContact O-N 3.16Å; L50-M52 VanDerWaalsContact C-N 3.29Å; L50-M52 PolarHBondContact O-N 3.46Å; M52-L54 PolarHBondContact O-N 3.2Å; M52-D55 PolarHBondContact O-N 2.76Å; M52-I72 HydrophobicContact CE-CB 4.39Å; M52-I72 HydrophobicContact CE-CG2 3.67Å; M52-I72 HydrophobicContact SD-CG2 4.3Å; M52-E73 HydrophobicContact CE-CG 3.91Å; M52-E73 HydrophobicContact SD-CG 4.04Å; M52-A76 HydrophobicContact CB-CB 4.42Å; M52-A76 HydrophobicContact CG-CB 4.28Å; M52-A76 HydrophobicContact SD-CB 3.72Å
53	I	97.6	Very high	87.1	Confident	0 Å²	0	77.6 Å²	77.6	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-61.7	-33.5	178.6	-68.8	164.5	0	0	0	111.7	W9 I10 I30 A49 L50 D55 A76 L79 Y80	W9-I53 HydrophobicContact CD2-CG1 4.34Å; W9-I53 HydrophobicContact CE3-CB 4.24Å; W9-I53 HydrophobicContact CE3-CG1 3.98Å; W9-I53 HydrophobicContact CE3-CG2 4.15Å; W9-I53 HydrophobicContact CH2-CG1 4.12Å; W9-I53 HydrophobicContact CZ2-CG1 4.43Å; W9-I53 HydrophobicContact CZ3-CG1 3.89Å; W9-I53 HydrophobicContact CZ3-CG2 4.39Å; I10-I53 HydrophobicContact CD1-CG2 4.38Å; I10-I53 HydrophobicContact CG1-CG2 4.2Å; I30-I53 HydrophobicContact CD1-CG2 4.11Å; A49-I53 VanDerWaalsContact O-CG1 3.28Å; A49-I53 WeakPolarHBondContact O-CG1 3.41Å; A49-I53 PolarHBondContact O-N 3.07Å; A49-I53 VanDerWaalsContact O-N 3.09Å; L50-I53 PolarHBondContact O-N 2.99Å; I53-D55 VanDerWaalsContact C-N 3.34Å; I53-A76 HydrophobicContact CD1-CB 4.47Å; I53-A76 WeakPolarHBondContact CD1-O 3.38Å; I53-A76 HydrophobicContact CG1-CB 4.06Å; I53-L79 HydrophobicContact CD1-CB 3.92Å; I53-L79 HydrophobicContact CD1-CD2 3.87Å; I53-L79 HydrophobicContact CD1-CG 3.82Å; I53-Y80 HydrophobicContact CG2-CD2 4.1Å
54	L	97.3	Very high	85.5	Confident	26 Å²	26	84.6 Å²	84.6	14%	0.136	42%	0.417	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	13.3	-178.7	-68.8	176.5	0	0	0	113.3	E27 I30 Q31 L50 D51 M52 L56	E27-L54 HydrophobicContact CG-CD2 4.36Å; I30-L54 HydrophobicContact CB-CD2 4.12Å; I30-L54 HydrophobicContact CG2-CD1 4.21Å; I30-L54 HydrophobicContact CG2-CD2 3.78Å; I30-L54 HydrophobicContact CG2-CG 4.13Å; Q31-L54 HydrophobicContact CG-CD2 4.39Å; L50-L54 HydrophobicContact CD1-CD1 4.13Å; L50-L54 HydrophobicContact CD1-CG 4.42Å; L50-L54 HydrophobicContact CG-CD1 4.14Å; L50-L54 PolarHBondContact O-N 3.09Å; L50-L54 VanDerWaalsContact O-N 3.08Å; D51-L54 CarbonylContact O-C 3.49Å; D51-L54 PolarHBondContact O-N 3.35Å; M52-L54 PolarHBondContact O-N 3.2Å; L54-L56 HydrophobicContact CB-CD1 4.29Å; L54-L56 HydrophobicContact CB-CG 3.96Å; L54-L56 PolarHBondContact O-N 2.89Å; L54-L56 VanDerWaalsContact O-N 3.17Å
55	D	95.5	Very high	84.3	Confident	90 Å²	90	84.7 Å²	84.7	48%	0.481	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.8	37.2	-179.6	-63.4	-61.2	0	0	0	113.1	S8 W9 D51 M52 I53	S8-D55 WeakPolarHBondContact CA-OD2 3.44Å; S8-D55 VanDerWaalsContact CB-OD2 3.28Å; S8-D55 WeakPolarHBondContact CB-OD2 3.17Å; W9-D55 WeakPolarHBondContact CB-OD1 3.42Å; W9-D55 PolarHBondContact N-OD1 3.39Å; W9-D55 PolarHBondContact N-OD2 3.31Å; D51-D55 PolarHBondContact O-N 3.28Å; M52-D55 PolarHBondContact O-N 2.76Å; I53-D55 VanDerWaalsContact C-N 3.34Å
56	L	93.9	Very high	83.4	Confident	91 Å²	91	86.1 Å²	86.1	48%	0.476	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-87	150.1	176	-56.7	-177.5	0	0	0	111.2	D51 L54	D51-L56 HydrophobicContact CB-CB 4.07Å; D51-L56 HydrophobicContact CB-CD1 4.41Å; D51-L56 WeakPolarHBondContact O-CB 3.27Å; D51-L56 PolarHBondContact O-N 3.49Å; L54-L56 HydrophobicContact CB-CD1 4.29Å; L54-L56 HydrophobicContact CB-CG 3.96Å; L54-L56 PolarHBondContact O-N 2.89Å; L54-L56 VanDerWaalsContact O-N 3.17Å
57	E	86.3	Confident	82.6	Confident	183 Å²	183	89.2 Å²	89.2	86%	0.855	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-59.1	130.5	178.3	-73.1	-178.6	167.3	0	0	111
58	P	78.9	Confident	82	Confident	89 Å²	89	84.8 Å²	84.8	58%	0.578	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-68.8	151.3	177.2	28.8	-33.7	0	0	0	111.2	E60	P58-E60 PolarHBondContact O-N 2.93Å
59	D	73	Confident	81.6	Confident	79 Å²	79	85 Å²	85	42%	0.422	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-61.6	127.1	173.2	-69	-44.1	0	0	0	110.1	E61 L62	D59-E61 PolarHBondContact O-N 2.8Å; D59-L62 HydrophobicContact CB-CD1 4.11Å; D59-L62 HydrophobicContact CB-CG 4.46Å; D59-L62 WeakPolarHBondContact O-CB 3.49Å; D59-L62 PolarHBondContact O-N 3Å
60	E	68.4	Low	81.3	Confident	175 Å²	175	89.2 Å²	89.2	82%	0.818	47%	0.465	S	S	*	.	G	3₁₀ helix	trans	-51.8	-25.4	-174.5	-66.6	-177.6	173.4	0	0	114.2	P58 L62	P58-E60 PolarHBondContact O-N 2.93Å; E60-L62 VanDerWaalsContact C-N 3.27Å; E60-L62 PolarHBondContact O-N 2.77Å
61	E	61.9	Low	81.1	Confident	184 Å²	184	92.1 Å²	92.1	86%	0.86	48%	0.48	S	S	*	.	G	3₁₀ helix	trans	-72.8	-13	179.9	-67.9	-171.6	168.6	0	0	114.1	D59	D59-E61 PolarHBondContact O-N 2.8Å
62	L	59.7	Low	81	Confident	36 Å²	36	91.2 Å²	91.2	19%	0.188	48%	0.475	C	S	.	.	G	3₁₀ helix	trans	-84.5	-19.6	-175.2	-67.8	167.3	0	0	0	113.9	Q48 D59 E60 D64 I72	Q48-L62 HydrophobicContact CG-CD1 3.87Å; D59-L62 HydrophobicContact CB-CD1 4.11Å; D59-L62 HydrophobicContact CB-CG 4.46Å; D59-L62 WeakPolarHBondContact O-CB 3.49Å; D59-L62 PolarHBondContact O-N 3Å; E60-L62 VanDerWaalsContact C-N 3.27Å; E60-L62 PolarHBondContact O-N 2.77Å; L62-D64 PolarHBondContact O-N 2.81Å; L62-D64 VanDerWaalsContact O-N 3.13Å; L62-I72 HydrophobicContact CD1-CD1 4.1Å; L62-I72 HydrophobicContact CD2-CD1 4.09Å
63	E	59	Low	80.9	Confident	157 Å²	157	93.1 Å²	93.1	73%	0.734	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-21.1	-172.7	-65.6	-169.3	165.6	0	0	113.5	N65	E63-N65 PolarHBondContact O-N 3.28Å
64	D	63.6	Low	80.8	Confident	154 Å²	154	99.1 Å²	99.1	82%	0.824	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-4.7	-171.2	-80.2	-25.3	0	0	0	115.2	L62	L62-D64 PolarHBondContact O-N 2.81Å; L62-D64 VanDerWaalsContact O-N 3.13Å
65	N	70.7	Confident	80.8	Confident	76 Å²	76	98 Å²	98	41%	0.406	51%	0.506	S	S	.	.			trans	-134.1	99.2	-177.9	-166	-9.9	0	0	0	113.9	E63 N67 Q68	E63-N65 PolarHBondContact O-N 3.28Å; N65-N67 PolarHBondContact O-N 3.12Å; N65-N67 VanDerWaalsContact O-N 3.08Å; N65-N67 PolarHBondContact OD1-N 2.55Å; N65-Q68 HydrophobicContact CB-CG 4.36Å; N65-Q68 PolarHBondContact O-N 2.84Å
66	P	74.3	Confident	80.9	Confident	98 Å²	98	93.7 Å²	93.7	64%	0.636	48%	0.483	S	S	*	.	H	α-helix	trans	-53.3	-35.6	-178.4	-26.4	33.4	0	0	0	114.2	Q68 S69 D70	P66-Q68 PolarHBondContact O-N 2.82Å; P66-S69 WeakPolarHBondContact O-CB 3.36Å; P66-S69 PolarHBondContact O-N 3.32Å; P66-D70 PolarHBondContact O-N 3.49Å
67	N	79.8	Confident	81.1	Confident	115 Å²	115	93.3 Å²	93.3	62%	0.615	48%	0.479	S	S	*	.	H	α-helix	trans	-66.3	-23.7	180	-69.8	-17.9	0	0	0	113	N65 L71	N65-N67 PolarHBondContact O-N 3.12Å; N65-N67 VanDerWaalsContact O-N 3.08Å; N65-N67 PolarHBondContact OD1-N 2.55Å; N67-L71 WeakPolarHBondContact O-CG 3.39Å
68	Q	83.1	Confident	81.7	Confident	72 Å²	72	86.8 Å²	86.8	34%	0.336	45%	0.449	S	S	.	.	H	α-helix	trans	-77.8	-33.9	175.1	-74.8	-148.8	-18.1	0	0	112.1	N65 P66 L71 I72	N65-Q68 HydrophobicContact CB-CG 4.36Å; N65-Q68 PolarHBondContact O-N 2.84Å; P66-Q68 PolarHBondContact O-N 2.82Å; Q68-L71 PolarHBondContact O-N 2.89Å; Q68-I72 VanDerWaalsContact O-CG1 3.28Å; Q68-I72 WeakPolarHBondContact O-CG1 3.34Å; Q68-I72 PolarHBondContact O-N 3.06Å
69	S	85.1	Confident	82.6	Confident	55 Å²	55	82.6 Å²	82.6	39%	0.385	42%	0.421	S	S	.	.	H	α-helix	trans	-58.4	-50.7	176.3	-164.3	0	0	0	0	111	P66 L71 I72 E73	P66-S69 WeakPolarHBondContact O-CB 3.36Å; P66-S69 PolarHBondContact O-N 3.32Å; S69-L71 VanDerWaalsContact C-N 3.26Å; S69-L71 PolarHBondContact O-N 2.9Å; S69-I72 PolarHBondContact O-N 3.17Å; S69-I72 VanDerWaalsContact O-N 3.08Å; S69-E73 PolarHBondContact O-N 3.18Å
70	D	90	Very high	83.9	Confident	89 Å²	89	78.8 Å²	78.8	48%	0.476	40%	0.401	S	S	.	.	H	α-helix	trans	-59.5	-35	179.4	-68.4	-5.1	0	0	0	112.9	P66 Q74	P66-D70 PolarHBondContact O-N 3.49Å; D70-Q74 WeakPolarHBondContact O-CG 3.18Å; D70-Q74 PolarHBondContact O-N 3.48Å; D70-Q74 PolarHBondContact O-NE2 3.37Å
71	L	92.8	Very high	85.3	Confident	86 Å²	86	70.5 Å²	70.5	45%	0.45	36%	0.362	S	S	.	.	H	α-helix	trans	-73.1	-36.3	177.7	-71.2	172.2	0	0	0	112.1	N67 Q68 S69 A75	N67-L71 WeakPolarHBondContact O-CG 3.39Å; Q68-L71 PolarHBondContact O-N 2.89Å; S69-L71 VanDerWaalsContact C-N 3.26Å; S69-L71 PolarHBondContact O-N 2.9Å; L71-A75 WeakPolarHBondContact O-CB 3.46Å; L71-A75 PolarHBondContact O-N 3.27Å
72	I	94	Very high	87.1	Confident	11 Å²	11	62.2 Å²	62.2	6%	0.056	32%	0.324	C	S	.	.	H	α-helix	trans	-70.1	-40.3	176.3	-66	164.4	0	0	0	110	H45 Q48 M52 L62 Q68 S69 A75 A76	H45-I72 HydrophobicContact CB-CG1 4.24Å; Q48-I72 HydrophobicContact CB-CD1 3.95Å; Q48-I72 HydrophobicContact CB-CG1 4.04Å; Q48-I72 HydrophobicContact CB-CG2 3.88Å; Q48-I72 HydrophobicContact CG-CD1 4.21Å; M52-I72 HydrophobicContact CE-CB 4.39Å; M52-I72 HydrophobicContact CE-CG2 3.67Å; M52-I72 HydrophobicContact SD-CG2 4.3Å; L62-I72 HydrophobicContact CD1-CD1 4.1Å; L62-I72 HydrophobicContact CD2-CD1 4.09Å; Q68-I72 VanDerWaalsContact O-CG1 3.28Å; Q68-I72 WeakPolarHBondContact O-CG1 3.34Å; Q68-I72 PolarHBondContact O-N 3.06Å; S69-I72 PolarHBondContact O-N 3.17Å; S69-I72 VanDerWaalsContact O-N 3.08Å; I72-A75 CarbonylContact O-C 3.56Å; I72-A75 WeakPolarHBondContact O-CB 3.19Å; I72-A75 PolarHBondContact O-N 3.19Å; I72-A76 WeakPolarHBondContact O-CB 3.35Å; I72-A76 PolarHBondContact O-N 3.38Å
73	E	93.6	Very high	88.9	Confident	89 Å²	89	60.6 Å²	60.6	42%	0.416	32%	0.316	S	S	.	.	H	α-helix	trans	-58.7	-49.1	174.6	-74.2	178.2	-163.2	0	0	111.4	M52 S69 A75 A76 E77	M52-E73 HydrophobicContact CE-CG 3.91Å; M52-E73 HydrophobicContact SD-CG 4.04Å; S69-E73 PolarHBondContact O-N 3.18Å; E73-A75 VanDerWaalsContact C-N 3.28Å; E73-A75 PolarHBondContact O-N 3.06Å; E73-A76 WeakPolarHBondContact O-CB 3.42Å; E73-A76 PolarHBondContact O-N 2.94Å; E73-A76 VanDerWaalsContact O-N 3.13Å; E73-E77 WeakPolarHBondContact O-CG 3.41Å; E73-E77 PolarHBondContact O-N 3.15Å
74	Q	95.7	Very high	90.8	Very high	126 Å²	126	53.1 Å²	53.1	59%	0.589	28%	0.281	S	S	*	.	H	α-helix	trans	-61.3	-37.8	175.9	-71.8	170.1	45.1	0	0	112.4	D70 M78	D70-Q74 WeakPolarHBondContact O-CG 3.18Å; D70-Q74 PolarHBondContact O-N 3.48Å; D70-Q74 PolarHBondContact O-NE2 3.37Å; Q74-M78 WeakPolarHBondContact O-CB 3.48Å; Q74-M78 PolarHBondContact O-N 3.46Å
75	A	97.3	Very high	92.5	Very high	3 Å²	3	46.4 Å²	46.4	3%	0.025	25%	0.246	C	C	.	.	H	α-helix	trans	-66.8	-37.8	175.5	0	0	0	0	0	112.2	V43 P44 A49 L71 I72 E73 M78 L79	V43-A75 HydrophobicContact CG1-CB 3.94Å; V43-A75 WeakPolarHBondContact CG1-O 3.14Å; P44-A75 HydrophobicContact CG-CB 4.35Å; P44-A75 VanDerWaalsContact O-CB 3.24Å; P44-A75 WeakPolarHBondContact O-CB 3.33Å; A49-A75 HydrophobicContact CB-CB 3.8Å; L71-A75 WeakPolarHBondContact O-CB 3.46Å; L71-A75 PolarHBondContact O-N 3.27Å; I72-A75 CarbonylContact O-C 3.56Å; I72-A75 WeakPolarHBondContact O-CB 3.19Å; I72-A75 PolarHBondContact O-N 3.19Å; E73-A75 VanDerWaalsContact C-N 3.28Å; E73-A75 PolarHBondContact O-N 3.06Å; A75-M78 PolarHBondContact O-N 2.86Å; A75-L79 WeakPolarHBondContact O-CB 3.47Å; A75-L79 PolarHBondContact O-N 3.02Å
76	A	98.1	Very high	93.9	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-64.8	-46	175.6	0	0	0	0	0	111.2	W9 A49 M52 I53 I72 E73 M78 L79 Y80	W9-A76 HydrophobicContact CH2-CB 4.48Å; W9-A76 HydrophobicContact CZ2-CB 3.82Å; A49-A76 HydrophobicContact CB-CB 4.34Å; M52-A76 HydrophobicContact CB-CB 4.42Å; M52-A76 HydrophobicContact CG-CB 4.28Å; M52-A76 HydrophobicContact SD-CB 3.72Å; I53-A76 HydrophobicContact CD1-CB 4.47Å; I53-A76 WeakPolarHBondContact CD1-O 3.38Å; I53-A76 HydrophobicContact CG1-CB 4.06Å; I72-A76 WeakPolarHBondContact O-CB 3.35Å; I72-A76 PolarHBondContact O-N 3.38Å; E73-A76 WeakPolarHBondContact O-CB 3.42Å; E73-A76 PolarHBondContact O-N 2.94Å; E73-A76 VanDerWaalsContact O-N 3.13Å; A76-M78 PolarHBondContact O-N 2.85Å; A76-L79 PolarHBondContact O-N 2.86Å; A76-Y80 WeakPolarHBondContact O-CB 3.23Å; A76-Y80 PolarHBondContact O-N 2.73Å
77	E	98.3	Very high	95	Very high	82 Å²	82	41.8 Å²	41.8	38%	0.383	21%	0.211	S	C	.	.	H	α-helix	trans	-59.7	-46.4	175.2	-64.4	-171.6	176.8	0	0	112	W9 F13 E73 G81	W9-E77 HydrophobicContact CZ2-CG 4.43Å; F13-E77 HydrophobicContact CD2-CG 4.18Å; F13-E77 HydrophobicContact CE2-CB 4.04Å; F13-E77 HydrophobicContact CE2-CG 3.69Å; E73-E77 WeakPolarHBondContact O-CG 3.41Å; E73-E77 PolarHBondContact O-N 3.15Å; E77-G81 PolarHBondContact O-N 2.87Å
78	M	98.4	Very high	95.9	Very high	47 Å²	47	36.3 Å²	36.3	23%	0.232	18%	0.182	C	C	.	.	H	α-helix	trans	-62.6	-46.1	177.5	179.2	178.9	176.5	0	0	111.6	Q42 V43 Q74 A75 A76 G81 L82 P128	Q42-M78 WeakPolarHBondContact O-CE 3.29Å; V43-M78 HydrophobicContact CG2-CE 4.45Å; V43-M78 HydrophobicContact CG2-CG 4.36Å; Q74-M78 WeakPolarHBondContact O-CB 3.48Å; Q74-M78 PolarHBondContact O-N 3.46Å; A75-M78 PolarHBondContact O-N 2.86Å; A76-M78 PolarHBondContact O-N 2.85Å; M78-G81 PolarHBondContact O-N 2.86Å; M78-L82 HydrophobicContact CE-CD1 4.25Å; M78-L82 HydrophobicContact CG-CD1 4.42Å; M78-L82 WeakPolarHBondContact O-CG 3.19Å; M78-L82 PolarHBondContact O-N 3.12Å; M78-P128 HydrophobicContact CE-CB 4.36Å; M78-P128 HydrophobicContact CE-CG 4.24Å
79	L	98.7	Very high	96.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-62.7	-48	179.4	179.1	55.4	0	0	0	111.1	L39 V43 Y46 A49 L50 I53 A75 A76 G81 L82 I83	L39-L79 HydrophobicContact CB-CD1 4.08Å; L39-L79 HydrophobicContact CD1-CD1 4.04Å; V43-L79 HydrophobicContact CG1-CB 4.1Å; V43-L79 HydrophobicContact CG2-CB 4.19Å; V43-L79 HydrophobicContact CG2-CD1 4.08Å; Y46-L79 HydrophobicContact CD2-CD1 4Å; Y46-L79 HydrophobicContact CD2-CD2 3.98Å; Y46-L79 HydrophobicContact CE2-CD1 3.73Å; Y46-L79 HydrophobicContact CE2-CD2 4Å; A49-L79 HydrophobicContact CB-CD2 4.05Å; L50-L79 HydrophobicContact CB-CD2 3.93Å; L50-L79 HydrophobicContact CD1-CD2 4.33Å; I53-L79 HydrophobicContact CD1-CB 3.92Å; I53-L79 HydrophobicContact CD1-CD2 3.87Å; I53-L79 HydrophobicContact CD1-CG 3.82Å; A75-L79 WeakPolarHBondContact O-CB 3.47Å; A75-L79 PolarHBondContact O-N 3.02Å; A76-L79 PolarHBondContact O-N 2.86Å; L79-G81 VanDerWaalsContact C-N 3.29Å; L79-G81 PolarHBondContact O-N 3.47Å; L79-L82 PolarHBondContact O-N 2.71Å; L79-L82 VanDerWaalsContact O-N 3.15Å; L79-I83 HydrophobicContact CD1-CD1 4Å; L79-I83 HydrophobicContact CD1-CG1 4.16Å; L79-I83 HydrophobicContact CG-CD1 3.87Å; L79-I83 HydrophobicContact CG-CG1 4.44Å; L79-I83 VanDerWaalsContact O-CG1 3.28Å; L79-I83 WeakPolarHBondContact O-CG1 3.38Å; L79-I83 PolarHBondContact O-N 3.3Å
80	Y	98.9	Very high	97.3	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-59.7	-41.7	177.8	-175.3	-102.3	0	0	0	111.4	W9 I10 F13 F22 C23 V25 I53 A76 L82 I83 H84	W9-Y80 HydrophobicContact CH2-CG 4.07Å; W9-Y80 HydrophobicContact CZ3-CD1 4.11Å; W9-Y80 AromaticContact CZ3-CD2 3.79Å; W9-Y80 HydrophobicContact CZ3-CD2 3.79Å; W9-Y80 HydrophobicContact CZ3-CE2 4.5Å; W9-Y80 AromaticContact CZ3-CG 3.57Å; W9-Y80 HydrophobicContact CZ3-CG 3.57Å; I10-Y80 HydrophobicContact CB-CE2 4.44Å; I10-Y80 HydrophobicContact CD1-CE2 4.17Å; I10-Y80 HydrophobicContact CG1-CD2 4.42Å; I10-Y80 HydrophobicContact CG1-CE2 3.84Å; I10-Y80 HydrophobicContact CG2-CE2 4.02Å; I10-Y80 WeakPolarHBondContact CG2-OH 3.18Å; F13-Y80 AromaticContact CD1-CD1 3.51Å; F13-Y80 HydrophobicContact CD1-CD1 3.51Å; F13-Y80 AromaticContact CD1-CE1 3.59Å; F13-Y80 HydrophobicContact CD1-CE1 3.59Å; F13-Y80 AromaticContact CE1-CD1 3.47Å; F13-Y80 HydrophobicContact CE1-CD1 3.47Å; F13-Y80 VanDerWaalsContact CE1-CD1 3.47Å; F13-Y80 AromaticContact CE1-CE1 3.79Å; F13-Y80 HydrophobicContact CE1-CE1 3.79Å; F13-Y80 HydrophobicContact CG-CD1 4.42Å; F13-Y80 HydrophobicContact CZ-CD1 4.35Å; F22-Y80 HydrophobicContact CD1-CE1 4.29Å; C23-Y80 PolarHBondContact O-OH 3.34Å; V25-Y80 HydrophobicContact CB-CE2 3.95Å; V25-Y80 HydrophobicContact CG2-CE2 3.84Å; V25-Y80 PolarHBondContact N-OH 3.23Å; I53-Y80 HydrophobicContact CG2-CD2 4.1Å; A76-Y80 WeakPolarHBondContact O-CB 3.23Å; A76-Y80 PolarHBondContact O-N 2.73Å; Y80-L82 PolarHBondContact O-N 3.35Å; Y80-I83 PolarHBondContact O-N 3.1Å; Y80-H84 VanDerWaalsContact O-CB 3.24Å; Y80-H84 WeakPolarHBondContact O-CB 3.41Å; Y80-H84 PolarHBondContact O-N 2.7Å
81	G	98.8	Very high	97.8	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-57.8	-44.7	174.1	0	0	0	0	0	113.3	E77 M78 L79 H84 A85 Y158	E77-G81 PolarHBondContact O-N 2.87Å; M78-G81 PolarHBondContact O-N 2.86Å; L79-G81 VanDerWaalsContact C-N 3.29Å; L79-G81 PolarHBondContact O-N 3.47Å; G81-H84 PolarHBondContact O-N 2.88Å; G81-A85 PolarHBondContact O-N 3.3Å; G81-Y158 VanDerWaalsContact C-CD1 3.41Å; G81-Y158 VanDerWaalsContact CA-CD1 3.49Å; G81-Y158 VanDerWaalsContact CA-CG 3.41Å; G81-Y158 VanDerWaalsContact O-CA 3.28Å; G81-Y158 WeakPolarHBondContact O-CA 3.2Å; G81-Y158 WeakPolarHBondContact O-CB 3.35Å
82	L	98.8	Very high	98	Very high	11 Å²	11	39.7 Å²	39.7	6%	0.058	19%	0.189	C	C	.	.	H	α-helix	trans	-69.1	-35.8	177.3	-67.1	175.7	0	0	0	113	L39 Q42 V43 M78 L79 Y80 R86 P128 Y158	L39-L82 HydrophobicContact CD1-CB 4.47Å; L39-L82 HydrophobicContact CD2-CB 3.88Å; L39-L82 HydrophobicContact CD2-CD1 4.14Å; Q42-L82 HydrophobicContact CB-CD1 4.4Å; V43-L82 HydrophobicContact CG2-CD1 3.8Å; M78-L82 HydrophobicContact CE-CD1 4.25Å; M78-L82 HydrophobicContact CG-CD1 4.42Å; M78-L82 WeakPolarHBondContact O-CG 3.19Å; M78-L82 PolarHBondContact O-N 3.12Å; L79-L82 PolarHBondContact O-N 2.71Å; L79-L82 VanDerWaalsContact O-N 3.15Å; Y80-L82 PolarHBondContact O-N 3.35Å; L82-R86 PolarHBondContact O-N 2.97Å; L82-P128 HydrophobicContact CD2-CG 3.92Å; L82-Y158 HydrophobicContact CD2-CD1 4.42Å; L82-Y158 HydrophobicContact CD2-CE1 4.43Å; L82-Y158 HydrophobicContact CG-CE1 4.4Å
83	I	98.9	Very high	98.3	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-63.8	-47.6	172.7	-69.6	173.8	0	0	0	109.7	V25 Y29 I30 L36 L39 L79 Y80 A85 R86 Y87	V25-I83 HydrophobicContact CG1-CG2 4Å; V25-I83 HydrophobicContact CG2-CG2 4.47Å; Y29-I83 HydrophobicContact CD1-CG2 4.47Å; Y29-I83 HydrophobicContact CE1-CG2 4.32Å; I30-I83 HydrophobicContact CD1-CG2 4.49Å; I30-I83 HydrophobicContact CG1-CG2 4.07Å; I30-I83 HydrophobicContact CG2-CD1 4.34Å; L36-I83 HydrophobicContact CD2-CD1 3.7Å; L36-I83 HydrophobicContact CD2-CG1 3.67Å; L36-I83 HydrophobicContact CD2-CG2 4.43Å; L39-I83 HydrophobicContact CD1-CG1 3.76Å; L79-I83 HydrophobicContact CD1-CD1 4Å; L79-I83 HydrophobicContact CD1-CG1 4.16Å; L79-I83 HydrophobicContact CG-CD1 3.87Å; L79-I83 HydrophobicContact CG-CG1 4.44Å; L79-I83 VanDerWaalsContact O-CG1 3.28Å; L79-I83 WeakPolarHBondContact O-CG1 3.38Å; L79-I83 PolarHBondContact O-N 3.3Å; Y80-I83 PolarHBondContact O-N 3.1Å; I83-A85 VanDerWaalsContact C-N 3.32Å; I83-A85 PolarHBondContact O-N 3.4Å; I83-R86 WeakPolarHBondContact O-CB 3.27Å; I83-R86 PolarHBondContact O-N 3.39Å; I83-Y87 WeakPolarHBondContact O-CB 3.44Å; I83-Y87 PolarHBondContact O-N 2.82Å
84	H	98.9	Very high	98.5	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-57.6	-44	179.6	179.7	-90.1	0	0	0	111.4	F22 C23 V25 Y80 G81 R86 Y87 I88 Y158 F159	F22-H84 HydrophobicContact CD1-CB 4.21Å; F22-H84 AromaticContact CD1-CD2 3.69Å; F22-H84 AromaticContact CD1-CE1 3.76Å; F22-H84 AromaticContact CD1-CG 3.62Å; F22-H84 AromaticContact CD1-ND1 3.67Å; F22-H84 AromaticContact CD1-NE2 3.77Å; F22-H84 HydrophobicContact CE1-CB 4.4Å; C23-H84 PolarHBondContact N-NE2 3.39Å; C23-H84 PolarHBondContact O-CD2 2.91Å; V25-H84 HydrophobicContact CG2-CB 4.2Å; Y80-H84 VanDerWaalsContact O-CB 3.24Å; Y80-H84 WeakPolarHBondContact O-CB 3.41Å; Y80-H84 PolarHBondContact O-N 2.7Å; G81-H84 PolarHBondContact O-N 2.88Å; H84-R86 PolarHBondContact O-N 3.07Å; H84-Y87 PolarHBondContact O-N 3.41Å; H84-Y87 VanDerWaalsContact O-N 3.08Å; H84-I88 WeakPolarHBondContact O-CG1 3.25Å; H84-I88 WeakPolarHBondContact O-CG2 3.41Å; H84-I88 PolarHBondContact O-N 3.28Å; H84-Y158 PolarHBondContact ND1-O 3.38Å; H84-F159 AromaticContact CE1-CD1 3.88Å; H84-F159 AromaticContact CE1-CE1 3.77Å
85	A	98.9	Very high	98.7	Very high	13 Å²	13	31.4 Å²	31.4	11%	0.107	16%	0.159	C	C	.	.	H	α-helix	trans	-56.3	-37.2	175.9	0	0	0	0	0	113.2	G81 I83 A157 Y158	G81-A85 PolarHBondContact O-N 3.3Å; I83-A85 VanDerWaalsContact C-N 3.32Å; I83-A85 PolarHBondContact O-N 3.4Å; A85-A157 VanDerWaalsContact CB-O 3.27Å; A85-A157 WeakPolarHBondContact CB-O 3.46Å; A85-Y158 WeakPolarHBondContact CA-O 3.38Å; A85-Y158 PolarHBondContact N-O 3.33Å
86	R	98.8	Very high	98.7	Very high	77 Å²	77	33.4 Å²	33.4	29%	0.291	17%	0.167	S	C	.	.	H	α-helix	trans	-75.5	-43.5	174.1	-62.1	179.5	180	-159.9	-1.2	111.4	N35 T37 L39 L82 I83 H84 I88 L89	N35-R86 PolarHBondContact O-NH1 3.1Å; T37-R86 PolarHBondContact O-NH1 3.45Å; T37-R86 PolarHBondContact O-NH2 3.17Å; L39-R86 VanDerWaalsContact CD2-NH2 3.34Å; L82-R86 PolarHBondContact O-N 2.97Å; I83-R86 WeakPolarHBondContact O-CB 3.27Å; I83-R86 PolarHBondContact O-N 3.39Å; H84-R86 PolarHBondContact O-N 3.07Å; R86-I88 PolarHBondContact O-N 3.45Å; R86-L89 WeakPolarHBondContact O-CB 3.4Å; R86-L89 PolarHBondContact O-N 3.29Å; R86-L89 VanDerWaalsContact O-N 3.17Å
87	Y	98.9	Very high	98.8	Very high	1 Å²	1	33.4 Å²	33.4	0%	0.004	17%	0.167	C	C	.	.	H	α-helix	trans	-60.2	-43.8	-175.2	-179.5	-112.8	0	0	0	112.5	V25 D26 Y29 I83 H84 L89 T90 R92 G93 Q96	V25-Y87 HydrophobicContact CB-CD1 4.13Å; V25-Y87 HydrophobicContact CB-CE1 4.43Å; V25-Y87 HydrophobicContact CB-CG 4.25Å; V25-Y87 HydrophobicContact CG1-CD1 4.09Å; V25-Y87 HydrophobicContact CG1-CD2 3.81Å; V25-Y87 HydrophobicContact CG1-CE1 4.48Å; V25-Y87 HydrophobicContact CG1-CE2 4.25Å; V25-Y87 HydrophobicContact CG1-CG 3.72Å; V25-Y87 HydrophobicContact CG2-CD1 3.71Å; V25-Y87 HydrophobicContact CG2-CE1 4.4Å; V25-Y87 HydrophobicContact CG2-CG 3.93Å; D26-Y87 HydrophobicContact CB-CE2 4.45Å; D26-Y87 PolarHBondContact OD1-OH 3.03Å; D26-Y87 VanDerWaalsContact OD1-OH 3.08Å; D26-Y87 PolarHBondContact OD2-OH 3.26Å; Y29-Y87 AromaticContact CD1-CD2 3.61Å; Y29-Y87 HydrophobicContact CD1-CD2 3.61Å; Y29-Y87 HydrophobicContact CD1-CE2 4.43Å; Y29-Y87 HydrophobicContact CD1-CG 4.36Å; Y29-Y87 AromaticContact CD2-CD2 3.97Å; Y29-Y87 HydrophobicContact CD2-CD2 3.97Å; Y29-Y87 HydrophobicContact CD2-CE2 4.39Å; Y29-Y87 AromaticContact CE1-CD2 3.94Å; Y29-Y87 HydrophobicContact CE1-CD2 3.94Å; Y29-Y87 HydrophobicContact CE1-CG 4.43Å; Y29-Y87 HydrophobicContact CE2-CD2 4.28Å; Y29-Y87 AromaticContact CG-CD2 3.62Å; Y29-Y87 HydrophobicContact CG-CD2 3.62Å; Y29-Y87 HydrophobicContact CG-CE2 4.07Å; I83-Y87 WeakPolarHBondContact O-CB 3.44Å; I83-Y87 PolarHBondContact O-N 2.82Å; H84-Y87 PolarHBondContact O-N 3.41Å; H84-Y87 VanDerWaalsContact O-N 3.08Å; Y87-L89 PolarHBondContact O-N 3.41Å; Y87-T90 WeakPolarHBondContact O-CB 3.26Å; Y87-T90 WeakPolarHBondContact O-CG2 3.39Å; Y87-T90 PolarHBondContact O-N 3.28Å; Y87-T90 PolarHBondContact O-OG1 2.91Å; Y87-R92 HydrophobicContact CE2-CB 4.44Å; Y87-G93 VanDerWaalsContact CE1-CA 3.45Å; Y87-Q96 PolarHBondContact OH-NE2 2.99Å
88	I	98.9	Very high	98.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-2.2	-178.6	68	-179.7	0	0	0	114	H84 R86 I94 M97 F159 F163	H84-I88 WeakPolarHBondContact O-CG1 3.25Å; H84-I88 WeakPolarHBondContact O-CG2 3.41Å; H84-I88 PolarHBondContact O-N 3.28Å; R86-I88 PolarHBondContact O-N 3.45Å; I88-I94 WeakPolarHBondContact O-CG1 3.35Å; I88-M97 HydrophobicContact CB-CG 4.04Å; I88-M97 HydrophobicContact CG2-CG 3.57Å; I88-M97 HydrophobicContact CG2-SD 4.08Å; I88-F159 HydrophobicContact CD1-CB 4.37Å; I88-F159 HydrophobicContact CD1-CD1 4.37Å; I88-F159 WeakPolarHBondContact CD1-O 3.45Å; I88-F163 HydrophobicContact CB-CD2 3.86Å; I88-F163 HydrophobicContact CB-CE2 4.02Å; I88-F163 HydrophobicContact CD1-CB 3.85Å; I88-F163 HydrophobicContact CD1-CD1 3.9Å; I88-F163 HydrophobicContact CD1-CD2 3.77Å; I88-F163 HydrophobicContact CD1-CE1 4.47Å; I88-F163 HydrophobicContact CD1-CE2 4.35Å; I88-F163 HydrophobicContact CD1-CG 3.53Å; I88-F163 HydrophobicContact CG1-CB 4.16Å; I88-F163 HydrophobicContact CG1-CD2 3.68Å; I88-F163 HydrophobicContact CG1-CE2 4.32Å; I88-F163 HydrophobicContact CG1-CG 3.92Å; I88-F163 VanDerWaalsContact O-CD2 3.23Å; I88-F163 WeakPolarHBondContact O-CD2 3.26Å; I88-F163 WeakPolarHBondContact O-CE2 3.28Å
89	L	98.8	Very high	98.8	Very high	74 Å²	74	33.1 Å²	33.1	39%	0.387	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-7.7	168.7	-60.4	177.6	0	0	0	112.9	R86 Y87 F163 M166	R86-L89 WeakPolarHBondContact O-CB 3.4Å; R86-L89 PolarHBondContact O-N 3.29Å; R86-L89 VanDerWaalsContact O-N 3.17Å; Y87-L89 PolarHBondContact O-N 3.41Å; L89-F163 HydrophobicContact CD2-CB 4.2Å; L89-M166 HydrophobicContact CD2-CB 3.86Å; L89-M166 HydrophobicContact CD2-CG 4.21Å
90	T	98.8	Very high	98.8	Very high	39 Å²	39	34.8 Å²	34.8	24%	0.239	17%	0.173	C	C	.	.	S	Bend	trans	-83	161	174.1	74.5	0	0	0	0	111.3	Y29 Y87 R92 G93 I94	Y29-T90 HydrophobicContact CD2-CG2 4.4Å; Y29-T90 HydrophobicContact CE2-CG2 3.64Å; Y87-T90 WeakPolarHBondContact O-CB 3.26Å; Y87-T90 WeakPolarHBondContact O-CG2 3.39Å; Y87-T90 PolarHBondContact O-N 3.28Å; Y87-T90 PolarHBondContact O-OG1 2.91Å; T90-R92 VanDerWaalsContact C-N 3.27Å; T90-R92 PolarHBondContact O-N 2.85Å; T90-G93 PolarHBondContact O-N 3.42Å; T90-G93 PolarHBondContact OG1-N 3.06Å; T90-G93 VanDerWaalsContact OG1-N 3.1Å; T90-I94 WeakPolarHBondContact O-CB 3.49Å; T90-I94 WeakPolarHBondContact O-CG1 3.46Å; T90-I94 PolarHBondContact O-N 3.42Å
91	N	98.6	Very high	98.8	Very high	122 Å²	122	35.4 Å²	35.4	65%	0.652	18%	0.175	S	C	*	.	H	α-helix	trans	-59.3	-37.1	176.7	-70.2	-32.3	0	0	0	112.9	A95	N91-A95 WeakPolarHBondContact O-CB 3.38Å; N91-A95 PolarHBondContact O-N 2.82Å; N91-A95 VanDerWaalsContact O-N 3.12Å
92	R	98.7	Very high	98.8	Very high	138 Å²	138	41 Å²	41	52%	0.521	20%	0.201	S	C	.	.	H	α-helix	trans	-70.8	-48.9	178.9	-67	-170.3	-173.1	171	2.7	111.5	D26 D28 Y87 T90 I94 A95 Q96	D26-R92 VanDerWaalsContact OD2-CD 3.25Å; D26-R92 WeakPolarHBondContact OD2-CD 3.26Å; D26-R92 IonicContact OD2-NH1 3.67Å; D26-R92 PolarHBondContact OD2-NH1 2.85Å; D28-R92 IonicContact OD1-NH1 2.8Å; D28-R92 PolarHBondContact OD1-NH1 3.08Å; D28-R92 VanDerWaalsContact OD1-NH1 3.14Å; D28-R92 IonicContact OD2-CZ 3.78Å; D28-R92 IonicContact OD2-NH1 3.75Å; D28-R92 PolarHBondContact OD2-NH1 2.92Å; D28-R92 IonicContact OD2-NH2 3.14Å; Y87-R92 HydrophobicContact CE2-CB 4.44Å; T90-R92 VanDerWaalsContact C-N 3.27Å; T90-R92 PolarHBondContact O-N 2.85Å; R92-I94 VanDerWaalsContact C-N 3.33Å; R92-I94 PolarHBondContact O-N 3.46Å; R92-A95 WeakPolarHBondContact O-CB 3.32Å; R92-A95 PolarHBondContact O-N 3.38Å; R92-A95 VanDerWaalsContact O-N 3.1Å; R92-Q96 PolarHBondContact O-N 3.46Å
93	G	98.8	Very high	98.7	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-61.9	-39.2	176.8	0	0	0	0	0	112.9	Y87 T90 A95 Q96 M97	Y87-G93 VanDerWaalsContact CE1-CA 3.45Å; T90-G93 PolarHBondContact O-N 3.42Å; T90-G93 PolarHBondContact OG1-N 3.06Å; T90-G93 VanDerWaalsContact OG1-N 3.1Å; G93-A95 VanDerWaalsContact C-N 3.34Å; G93-A95 PolarHBondContact O-N 2.98Å; G93-Q96 PolarHBondContact O-N 3.18Å; G93-M97 WeakPolarHBondContact O-CB 3.46Å; G93-M97 VanDerWaalsContact O-CG 3.29Å; G93-M97 WeakPolarHBondContact O-CG 3.41Å; G93-M97 PolarHBondContact O-N 3.09Å
94	I	98.9	Very high	98.7	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-59.9	-43.8	172.7	-71.6	170.9	0	0	0	111.1	I88 T90 R92 M97 L98 M166 L167 V170	I88-I94 WeakPolarHBondContact O-CG1 3.35Å; T90-I94 WeakPolarHBondContact O-CB 3.49Å; T90-I94 WeakPolarHBondContact O-CG1 3.46Å; T90-I94 PolarHBondContact O-N 3.42Å; R92-I94 VanDerWaalsContact C-N 3.33Å; R92-I94 PolarHBondContact O-N 3.46Å; I94-M97 PolarHBondContact O-N 3.11Å; I94-L98 WeakPolarHBondContact O-CB 3.44Å; I94-L98 PolarHBondContact O-N 3.24Å; I94-M166 HydrophobicContact CD1-CG 3.97Å; I94-L167 HydrophobicContact CG2-CD1 4.42Å; I94-L167 HydrophobicContact CG2-CG 4.13Å; I94-V170 HydrophobicContact CD1-CB 4.29Å; I94-V170 HydrophobicContact CD1-CG2 3.81Å
95	A	98.7	Very high	98.7	Very high	51 Å²	51	49.3 Å²	49.3	42%	0.421	25%	0.245	S	C	.	.	H	α-helix	trans	-62.3	-45.1	179.4	0	0	0	0	0	112	N91 R92 G93 L98 E99	N91-A95 WeakPolarHBondContact O-CB 3.38Å; N91-A95 PolarHBondContact O-N 2.82Å; N91-A95 VanDerWaalsContact O-N 3.12Å; R92-A95 WeakPolarHBondContact O-CB 3.32Å; R92-A95 PolarHBondContact O-N 3.38Å; R92-A95 VanDerWaalsContact O-N 3.1Å; G93-A95 VanDerWaalsContact C-N 3.34Å; G93-A95 PolarHBondContact O-N 2.98Å; A95-L98 PolarHBondContact O-N 3.09Å; A95-E99 PolarHBondContact O-N 3.27Å
96	Q	98.8	Very high	98.7	Very high	45 Å²	45	48.8 Å²	48.8	21%	0.21	24%	0.24	C	C	.	.	H	α-helix	trans	-62.5	-45	176.2	-65.9	-167.7	26.2	0	0	111.9	C23 E24 D26 Y87 R92 G93 L98 E99 K100	C23-Q96 HydrophobicContact CB-CB 3.97Å; E24-Q96 PolarHBondContact O-NE2 2.93Å; E24-Q96 PolarHBondContact O-OE1 3.32Å; D26-Q96 PolarHBondContact OD1-NE2 2.98Å; Y87-Q96 PolarHBondContact OH-NE2 2.99Å; R92-Q96 PolarHBondContact O-N 3.46Å; G93-Q96 PolarHBondContact O-N 3.18Å; Q96-L98 VanDerWaalsContact C-N 3.29Å; Q96-L98 PolarHBondContact O-N 3.22Å; Q96-E99 WeakPolarHBondContact O-CB 3.48Å; Q96-E99 PolarHBondContact O-N 2.89Å; Q96-K100 PolarHBondContact O-N 3.42Å
97	M	98.9	Very high	98.7	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-67.7	-31.7	178.2	-67	-64.3	-78.2	0	0	112.3	C23 I88 G93 I94 K100 Y101 F106 P121 F159 F163	C23-M97 HydrophobicContact CB-CG 4.4Å; C23-M97 HydrophobicContact CB-SD 3.73Å; I88-M97 HydrophobicContact CB-CG 4.04Å; I88-M97 HydrophobicContact CG2-CG 3.57Å; I88-M97 HydrophobicContact CG2-SD 4.08Å; G93-M97 WeakPolarHBondContact O-CB 3.46Å; G93-M97 VanDerWaalsContact O-CG 3.29Å; G93-M97 WeakPolarHBondContact O-CG 3.41Å; G93-M97 PolarHBondContact O-N 3.09Å; I94-M97 PolarHBondContact O-N 3.11Å; M97-K100 PolarHBondContact O-N 3.15Å; M97-K100 HydrophobicContact SD-CD 4.29Å; M97-Y101 WeakPolarHBondContact O-CB 3.48Å; M97-Y101 PolarHBondContact O-N 3.3Å; M97-F106 HydrophobicContact CE-CE1 3.71Å; M97-F106 HydrophobicContact CE-CE2 4.44Å; M97-F106 HydrophobicContact CE-CZ 3.46Å; M97-F106 VanDerWaalsContact CE-CZ 3.46Å; M97-F106 WeakPolarHBondContact O-CE2 3.44Å; M97-F106 HydrophobicContact SD-CE1 4.38Å; M97-F106 HydrophobicContact SD-CZ 3.93Å; M97-P121 HydrophobicContact CE-CG 3.53Å; M97-F159 HydrophobicContact CE-CD1 4.49Å; M97-F163 HydrophobicContact CB-CE2 3.99Å; M97-F163 HydrophobicContact CB-CZ 3.53Å; M97-F163 HydrophobicContact CE-CE1 3.88Å; M97-F163 HydrophobicContact CE-CZ 3.98Å; M97-F163 HydrophobicContact CG-CE2 4.15Å; M97-F163 HydrophobicContact CG-CZ 3.9Å
98	L	98.7	Very high	98.6	Very high	12 Å²	12	52 Å²	52	6%	0.063	26%	0.26	C	S	.	.	H	α-helix	trans	-67.2	-37.8	174.8	-176	63.8	0	0	0	111.7	I94 A95 Q96 Y101 Q102 L167 Y174	I94-L98 WeakPolarHBondContact O-CB 3.44Å; I94-L98 PolarHBondContact O-N 3.24Å; A95-L98 PolarHBondContact O-N 3.09Å; Q96-L98 VanDerWaalsContact C-N 3.29Å; Q96-L98 PolarHBondContact O-N 3.22Å; L98-Y101 HydrophobicContact CD1-CD1 4.02Å; L98-Y101 WeakPolarHBondContact O-CB 3.19Å; L98-Y101 PolarHBondContact O-N 3.39Å; L98-Q102 WeakPolarHBondContact O-CG 3.29Å; L98-Q102 PolarHBondContact O-N 2.79Å; L98-L167 HydrophobicContact CD1-CD2 4.41Å; L98-Y174 HydrophobicContact CD1-CD1 3.82Å; L98-Y174 HydrophobicContact CD1-CD2 4.27Å; L98-Y174 HydrophobicContact CD1-CE1 4.01Å; L98-Y174 HydrophobicContact CD1-CE2 4.42Å; L98-Y174 HydrophobicContact CD1-CG 3.95Å; L98-Y174 HydrophobicContact CD2-CD2 4.18Å; L98-Y174 HydrophobicContact CD2-CE1 4.43Å; L98-Y174 HydrophobicContact CD2-CE2 3.75Å; L98-Y174 HydrophobicContact CG-CE1 4.44Å
99	E	98.7	Very high	98.6	Very high	110 Å²	110	52.1 Å²	52.1	51%	0.514	26%	0.262	S	S	.	.	H	α-helix	trans	-60	-50.4	172.9	-178.8	175.1	-172.7	0	0	111	A95 Q96 Y101 Q102 Q103	A95-E99 PolarHBondContact O-N 3.27Å; Q96-E99 WeakPolarHBondContact O-CB 3.48Å; Q96-E99 PolarHBondContact O-N 2.89Å; E99-Y101 VanDerWaalsContact C-N 3.26Å; E99-Y101 PolarHBondContact O-N 2.92Å; E99-Q102 WeakPolarHBondContact O-CB 3.49Å; E99-Q102 PolarHBondContact O-N 2.77Å; E99-Q102 VanDerWaalsContact O-N 3.11Å; E99-Q103 WeakPolarHBondContact O-CG 3.39Å; E99-Q103 PolarHBondContact O-N 3.36Å; E99-Q103 VanDerWaalsContact O-N 3.09Å
100	K	98.8	Very high	98.6	Very high	35 Å²	35	52.7 Å²	52.7	15%	0.152	27%	0.269	C	S	.	.	H	α-helix	trans	-58.8	-37.3	174.9	-66.4	179.8	65	65	0	112.5	E20 F22 C23 Q96 M97 Q103 G104 D105 F106	E20-K100 VanDerWaalsContact O-CE 3.26Å; E20-K100 WeakPolarHBondContact O-CE 3.46Å; E20-K100 PolarHBondContact O-NZ 3.04Å; F22-K100 WeakPolarHBondContact O-CE 3.44Å; F22-K100 PolarHBondContact O-NZ 2.91Å; C23-K100 HydrophobicContact CB-CD 4.14Å; Q96-K100 PolarHBondContact O-N 3.42Å; M97-K100 PolarHBondContact O-N 3.15Å; M97-K100 HydrophobicContact SD-CD 4.29Å; K100-Q103 PolarHBondContact O-N 2.93Å; K100-G104 PolarHBondContact O-N 3.19Å; K100-D105 HydrophobicContact CB-CB 4.12Å; K100-D105 WeakPolarHBondContact CG-OD2 3.33Å; K100-D105 IonicContact NZ-OD2 3.51Å; K100-D105 PolarHBondContact NZ-OD2 3.26Å; K100-D105 PolarHBondContact O-N 3.07Å; K100-D105 VanDerWaalsContact O-N 3.09Å; K100-F106 HydrophobicContact CB-CE1 4.13Å; K100-F106 HydrophobicContact CB-CE2 3.75Å; K100-F106 HydrophobicContact CB-CZ 3.41Å; K100-F106 VanDerWaalsContact CB-CZ 3.41Å; K100-F106 HydrophobicContact CD-CE1 4.39Å; K100-F106 HydrophobicContact CD-CZ 4.16Å; K100-F106 HydrophobicContact CG-CZ 4.4Å
101	Y	98.7	Very high	98.6	Very high	14 Å²	14	55.5 Å²	55.5	6%	0.055	28%	0.276	C	S	.	.	H	α-helix	trans	-63.6	-41.8	175.5	169	-98.3	0	0	0	112.4	M97 L98 E99 Q103 G104 Q117 P118 M119 L120 P138 Y174	M97-Y101 WeakPolarHBondContact O-CB 3.48Å; M97-Y101 PolarHBondContact O-N 3.3Å; L98-Y101 HydrophobicContact CD1-CD1 4.02Å; L98-Y101 WeakPolarHBondContact O-CB 3.19Å; L98-Y101 PolarHBondContact O-N 3.39Å; E99-Y101 VanDerWaalsContact C-N 3.26Å; E99-Y101 PolarHBondContact O-N 2.92Å; Y101-Q103 VanDerWaalsContact C-N 3.29Å; Y101-Q103 PolarHBondContact O-N 3.08Å; Y101-G104 PolarHBondContact O-N 3.19Å; Y101-Q117 PolarHBondContact OH-NE2 3.08Å; Y101-P118 HydrophobicContact CD2-CB 4.07Å; Y101-P118 HydrophobicContact CE1-CG 4.33Å; Y101-P118 HydrophobicContact CE2-CB 3.75Å; Y101-P118 HydrophobicContact CE2-CG 3.88Å; Y101-P118 VanDerWaalsContact CE2-O 3.27Å; Y101-P118 WeakPolarHBondContact CE2-O 3.41Å; Y101-M119 WeakPolarHBondContact CD2-O 3.46Å; Y101-L120 HydrophobicContact CD2-CD2 3.75Å; Y101-L120 HydrophobicContact CD2-CG 3.78Å; Y101-L120 HydrophobicContact CE2-CG 4.23Å; Y101-L120 HydrophobicContact CG-CD2 4.07Å; Y101-P138 HydrophobicContact CE2-CG 4.33Å; Y101-Y174 HydrophobicContact CE1-CD1 4.49Å
102	Q	98.2	Very high	98.6	Very high	116 Å²	116	55.7 Å²	55.7	54%	0.542	28%	0.281	S	S	.	.	H	α-helix	trans	-66	-33.6	176.8	-70.3	172.8	-14.4	0	0	112.1	L98 E99 G104 Y174	L98-Q102 WeakPolarHBondContact O-CG 3.29Å; L98-Q102 PolarHBondContact O-N 2.79Å; E99-Q102 WeakPolarHBondContact O-CB 3.49Å; E99-Q102 PolarHBondContact O-N 2.77Å; E99-Q102 VanDerWaalsContact O-N 3.11Å; Q102-G104 VanDerWaalsContact C-N 3.3Å; Q102-Y174 HydrophobicContact CG-CE1 4.37Å; Q102-Y174 PolarHBondContact NE2-OH 3.03Å
103	Q	98.3	Very high	98.6	Very high	116 Å²	116	52.8 Å²	52.8	54%	0.542	27%	0.27	S	S	.	.	H	α-helix	trans	-77.3	-17.5	175.2	-63	179.6	21.3	0	0	112.8	E99 K100 Y101	E99-Q103 WeakPolarHBondContact O-CG 3.39Å; E99-Q103 PolarHBondContact O-N 3.36Å; E99-Q103 VanDerWaalsContact O-N 3.09Å; K100-Q103 PolarHBondContact O-N 2.93Å; Y101-Q103 VanDerWaalsContact C-N 3.29Å; Y101-Q103 PolarHBondContact O-N 3.08Å
104	G	98.1	Very high	98.5	Very high	11 Å²	11	52.8 Å²	52.8	11%	0.113	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.9	22.1	178.4	0	0	0	0	0	113.8	K100 Y101 Q102 F106 G107	K100-G104 PolarHBondContact O-N 3.19Å; Y101-G104 PolarHBondContact O-N 3.19Å; Q102-G104 VanDerWaalsContact C-N 3.3Å; G104-F106 PolarHBondContact O-N 3.21Å; G104-G107 PolarHBondContact O-N 3.28Å
105	D	98.4	Very high	98.5	Very high	61 Å²	61	58.5 Å²	58.5	33%	0.326	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-34.2	-177.8	-72.2	6.9	0	0	0	112.8	K100 G107	K100-D105 HydrophobicContact CB-CB 4.12Å; K100-D105 WeakPolarHBondContact CG-OD2 3.33Å; K100-D105 IonicContact NZ-OD2 3.51Å; K100-D105 PolarHBondContact NZ-OD2 3.26Å; K100-D105 PolarHBondContact O-N 3.07Å; K100-D105 VanDerWaalsContact O-N 3.09Å; D105-G107 PolarHBondContact O-N 3.14Å
106	F	98.7	Very high	98.5	Very high	2 Å²	2	61.8 Å²	61.8	1%	0.009	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-8.6	-179.6	-48	-54.6	0	0	0	113.3	F21 M97 K100 G104 M119 L120 P121 L135	F21-F106 HydrophobicContact CB-CD1 4.17Å; F21-F106 HydrophobicContact CB-CE1 4.33Å; F21-F106 AromaticContact CD1-CD1 3.76Å; F21-F106 HydrophobicContact CD1-CD1 3.76Å; F21-F106 HydrophobicContact CE1-CB 4.45Å; F21-F106 HydrophobicContact CE1-CD1 4.47Å; F21-F106 HydrophobicContact CG-CD1 4.1Å; F21-F106 WeakPolarHBondContact O-CE1 3.4Å; M97-F106 HydrophobicContact CE-CE1 3.71Å; M97-F106 HydrophobicContact CE-CE2 4.44Å; M97-F106 HydrophobicContact CE-CZ 3.46Å; M97-F106 VanDerWaalsContact CE-CZ 3.46Å; M97-F106 WeakPolarHBondContact O-CE2 3.44Å; M97-F106 HydrophobicContact SD-CE1 4.38Å; M97-F106 HydrophobicContact SD-CZ 3.93Å; K100-F106 HydrophobicContact CB-CE1 4.13Å; K100-F106 HydrophobicContact CB-CE2 3.75Å; K100-F106 HydrophobicContact CB-CZ 3.41Å; K100-F106 VanDerWaalsContact CB-CZ 3.41Å; K100-F106 HydrophobicContact CD-CE1 4.39Å; K100-F106 HydrophobicContact CD-CZ 4.16Å; K100-F106 HydrophobicContact CG-CZ 4.4Å; G104-F106 PolarHBondContact O-N 3.21Å; F106-M119 VanDerWaalsContact CB-O 3.28Å; F106-M119 WeakPolarHBondContact CB-O 3.4Å; F106-M119 VanDerWaalsContact CD2-O 3.26Å; F106-M119 WeakPolarHBondContact CD2-O 3.39Å; F106-L120 HydrophobicContact CD2-CD2 4.05Å; F106-L120 HydrophobicContact CE2-CD2 3.83Å; F106-P121 HydrophobicContact CD1-CG 4.05Å; F106-P121 HydrophobicContact CE1-CG 4.01Å; F106-P121 HydrophobicContact CZ-CG 4.47Å; F106-L135 HydrophobicContact CB-CD2 4.3Å; F106-L135 WeakPolarHBondContact O-CD1 3.42Å; F106-L135 WeakPolarHBondContact O-CD2 3.48Å
107	G	98.3	Very high	98.5	Very high	23 Å²	23	60.5 Å²	60.5	24%	0.237	30%	0.302	C	S	.	.			trans	84.3	-172.1	-175.4	0	0	0	0	0	114.2	G104 D105 M119	G104-G107 PolarHBondContact O-N 3.28Å; D105-G107 PolarHBondContact O-N 3.14Å; G107-M119 PolarHBondContact O-N 2.84Å
108	Y	98.8	Very high	98.4	Very high	121 Å²	121	62 Å²	62	48%	0.475	31%	0.311	S	S	.	.	B	Isolated β-bridge	trans	-127.5	147.4	-164.3	-55.4	-84.6	0	0	0	112	N116 Q117 P118 M119	Y108-N116 HydrophobicContact CD1-CB 4.32Å; Y108-N116 WeakPolarHBondContact CD1-O 3.46Å; Y108-N116 HydrophobicContact CG-CB 4.42Å; Y108-Q117 CarbonylContact C-O 3.55Å; Y108-Q117 WeakPolarHBondContact CA-O 3.24Å; Y108-P118 HydrophobicContact CD1-CB 4.27Å; Y108-P118 HydrophobicContact CE1-CB 4.29Å; Y108-M119 WeakPolarHBondContact O-CE 3.25Å
109	C	98.7	Very high	98.5	Very high	4 Å²	4	61.7 Å²	61.7	3%	0.027	31%	0.31	C	S	.	.			trans	-57.8	129.9	-175.7	-175.2	0	0	0	0	112.1	R111 C114 Q117 M119 C137	C109-R111 PolarHBondContact O-N 3.4Å; C109-C114 HydrophobicContact CB-CB 3.7Å; C109-C114 VanDerWaalsContact SG-CB 3.56Å; C109-Q117 HydrophobicContact CB-CB 4.12Å; C109-Q117 PolarHBondContact N-O 3.18Å; C109-M119 VanDerWaalsContact CA-SD 3.5Å; C109-M119 HydrophobicContact CB-CG 4.15Å; C109-M119 HydrophobicContact CB-SD 4.01Å; C109-C137 HydrophobicContact CB-CB 4.07Å; C109-C137 VanDerWaalsContact CB-SG 3.55Å; C109-C137 PolarHBondContact SG-SG 3.39Å
110	P	98.5	Very high	98.5	Very high	85 Å²	85	56.4 Å²	56.4	55%	0.552	29%	0.285	S	S	*	.	S	Bend	trans	-74.6	-12.5	-178.9	30.6	-36.5	0	0	0	113.3	V112 Y144	P110-V112 PolarHBondContact O-N 3.35Å; P110-Y144 HydrophobicContact CG-CD1 3.34Å; P110-Y144 HydrophobicContact CG-CD2 4.22Å; P110-Y144 HydrophobicContact CG-CE1 3.85Å; P110-Y144 HydrophobicContact CG-CG 3.58Å
111	R	98.4	Very high	98.5	Very high	98 Å²	98	54.8 Å²	54.8	37%	0.37	28%	0.278	S	S	.	.			trans	-72.4	121.8	176.4	-71.5	-175.9	64.2	178	1	109.9	C109 Y113 C114 C140 Y144	C109-R111 PolarHBondContact O-N 3.4Å; R111-Y113 VanDerWaalsContact C-N 3.26Å; R111-Y113 PolarHBondContact O-N 3.19Å; R111-C114 HydrophobicContact CB-CB 4.2Å; R111-C114 VanDerWaalsContact O-CB 3.31Å; R111-C114 WeakPolarHBondContact O-CB 3.44Å; R111-C114 PolarHBondContact O-N 3.02Å; R111-C140 VanDerWaalsContact NH1-CB 3.34Å; R111-Y144 WeakPolarHBondContact CD-OH 3.35Å; R111-Y144 HydrophobicContact CG-CE1 4.2Å
112	V	98.1	Very high	98.5	Very high	126 Å²	126	54.5 Å²	54.5	76%	0.764	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-50	-45.9	178.4	-179.7	0	0	0	0	112.3	P110 C114 E115	P110-V112 PolarHBondContact O-N 3.35Å; V112-C114 PolarHBondContact O-N 2.97Å; V112-E115 PolarHBondContact O-N 2.99Å
113	Y	98.1	Very high	98.5	Very high	77 Å²	77	49.1 Å²	49.1	30%	0.302	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-76.4	0.4	-179.4	-68.6	-79.2	0	0	0	114.7	R111 E115 P179 N181 Q182 F183	R111-Y113 VanDerWaalsContact C-N 3.26Å; R111-Y113 PolarHBondContact O-N 3.19Å; Y113-E115 VanDerWaalsContact C-N 3.34Å; Y113-P179 WeakPolarHBondContact O-CB 3.24Å; Y113-N181 WeakPolarHBondContact CB-O 3.43Å; Y113-N181 HydrophobicContact CD1-CB 3.61Å; Y113-N181 WeakPolarHBondContact CD1-O 3.46Å; Y113-N181 HydrophobicContact CE1-CB 3.65Å; Y113-Q182 VanDerWaalsContact CZ-C 3.49Å; Y113-F183 HydrophobicContact CD2-CB 4.09Å; Y113-F183 HydrophobicContact CE2-CB 3.53Å; Y113-F183 HydrophobicContact CE2-CD2 4.26Å; Y113-F183 HydrophobicContact CE2-CG 4.4Å
114	C	98.4	Very high	98.5	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-85.4	-10.1	166.1	-76	0	0	0	0	112.8	C109 R111 V112 Q117 K139 C140	C109-C114 HydrophobicContact CB-CB 3.7Å; C109-C114 VanDerWaalsContact SG-CB 3.56Å; R111-C114 HydrophobicContact CB-CB 4.2Å; R111-C114 VanDerWaalsContact O-CB 3.31Å; R111-C114 WeakPolarHBondContact O-CB 3.44Å; R111-C114 PolarHBondContact O-N 3.02Å; V112-C114 PolarHBondContact O-N 2.97Å; C114-Q117 HydrophobicContact CB-CB 4.08Å; C114-Q117 WeakPolarHBondContact O-CB 3.28Å; C114-Q117 PolarHBondContact O-N 2.93Å; C114-K139 HydrophobicContact CB-CD 4.16Å; C114-K139 WeakPolarHBondContact O-CD 3.19Å; C114-K139 PolarHBondContact O-NZ 3.47Å; C114-C140 VanDerWaalsContact SG-CB 3.56Å
115	E	98	Very high	98.6	Very high	122 Å²	122	48.7 Å²	48.7	57%	0.57	25%	0.253	S	S	*	.			trans	56.4	52.1	173.3	-59	167.9	166.4	0	0	112	V112 Y113 Q117 K139	V112-E115 PolarHBondContact O-N 2.99Å; Y113-E115 VanDerWaalsContact C-N 3.34Å; E115-Q117 VanDerWaalsContact C-N 3.28Å; E115-Q117 PolarHBondContact O-N 3.38Å; E115-K139 IonicContact OE2-NZ 3.77Å
116	N	98.2	Very high	98.6	Very high	119 Å²	119	50 Å²	50	64%	0.636	26%	0.26	S	S	*	.	S	Bend	trans	50.6	45.2	-176	-64.4	-36.8	0	0	0	113	Y108 P118	Y108-N116 HydrophobicContact CD1-CB 4.32Å; Y108-N116 WeakPolarHBondContact CD1-O 3.46Å; Y108-N116 HydrophobicContact CG-CB 4.42Å; N116-P118 WeakPolarHBondContact O-CD 3.47Å
117	Q	98.7	Very high	98.5	Very high	18 Å²	18	54.3 Å²	54.3	8%	0.084	28%	0.282	C	S	.	.			trans	-59.7	123.4	172.5	174.5	62.5	55.3	0	0	110.1	Y101 Y108 C109 C114 E115 P138 K139	Y101-Q117 PolarHBondContact OH-NE2 3.08Å; Y108-Q117 CarbonylContact C-O 3.55Å; Y108-Q117 WeakPolarHBondContact CA-O 3.24Å; C109-Q117 HydrophobicContact CB-CB 4.12Å; C109-Q117 PolarHBondContact N-O 3.18Å; C114-Q117 HydrophobicContact CB-CB 4.08Å; C114-Q117 WeakPolarHBondContact O-CB 3.28Å; C114-Q117 PolarHBondContact O-N 2.93Å; E115-Q117 VanDerWaalsContact C-N 3.28Å; E115-Q117 PolarHBondContact O-N 3.38Å; Q117-P138 HydrophobicContact CG-CG 4.06Å; Q117-K139 HydrophobicContact CB-CB 4.07Å; Q117-K139 HydrophobicContact CB-CD 4.29Å; Q117-K139 HydrophobicContact CG-CB 3.61Å; Q117-K139 VanDerWaalsContact OE1-CE 3.25Å
118	P	98.7	Very high	98.5	Very high	31 Å²	31	55.1 Å²	55.1	20%	0.201	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-58.9	144.5	171	22.6	-33	0	0	0	110.9	Y101 Y108 N116 P138	Y101-P118 HydrophobicContact CD2-CB 4.07Å; Y101-P118 HydrophobicContact CE1-CG 4.33Å; Y101-P118 HydrophobicContact CE2-CB 3.75Å; Y101-P118 HydrophobicContact CE2-CG 3.88Å; Y101-P118 VanDerWaalsContact CE2-O 3.27Å; Y101-P118 WeakPolarHBondContact CE2-O 3.41Å; Y108-P118 HydrophobicContact CD1-CB 4.27Å; Y108-P118 HydrophobicContact CE1-CB 4.29Å; N116-P118 WeakPolarHBondContact O-CD 3.47Å; P118-P138 WeakPolarHBondContact O-CD 3.38Å
119	M	98.9	Very high	98.5	Very high	6 Å²	6	52.2 Å²	52.2	3%	0.03	29%	0.29	C	S	.	.			trans	-113.7	171.7	-175.9	-62.4	-166.2	-65.7	0	0	111.5	Y101 F106 G107 Y108 C109 L135 Y136 C137 Y144	Y101-M119 WeakPolarHBondContact CD2-O 3.46Å; F106-M119 VanDerWaalsContact CB-O 3.28Å; F106-M119 WeakPolarHBondContact CB-O 3.4Å; F106-M119 VanDerWaalsContact CD2-O 3.26Å; F106-M119 WeakPolarHBondContact CD2-O 3.39Å; G107-M119 PolarHBondContact O-N 2.84Å; Y108-M119 WeakPolarHBondContact O-CE 3.25Å; C109-M119 VanDerWaalsContact CA-SD 3.5Å; C109-M119 HydrophobicContact CB-CG 4.15Å; C109-M119 HydrophobicContact CB-SD 4.01Å; M119-L135 HydrophobicContact CB-CB 4.13Å; M119-L135 HydrophobicContact CE-CB 3.47Å; M119-L135 VanDerWaalsContact CE-CB 3.47Å; M119-L135 HydrophobicContact CE-CD1 3.45Å; M119-L135 VanDerWaalsContact CE-CD1 3.45Å; M119-L135 HydrophobicContact CE-CG 4.04Å; M119-L135 HydrophobicContact SD-CB 3.87Å; M119-Y136 WeakPolarHBondContact CA-O 3.28Å; M119-Y136 WeakPolarHBondContact CB-O 3.33Å; M119-C137 HydrophobicContact CG-CB 4Å; M119-C137 HydrophobicContact SD-CB 3.94Å; M119-Y144 HydrophobicContact SD-CD2 3.81Å
120	L	98.9	Very high	98.4	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	147.8	174	-71.8	163.1	0	0	0	109.8	Y101 F106 L135 Y136 F163 P164 L167 F168	Y101-L120 HydrophobicContact CD2-CD2 3.75Å; Y101-L120 HydrophobicContact CD2-CG 3.78Å; Y101-L120 HydrophobicContact CE2-CG 4.23Å; Y101-L120 HydrophobicContact CG-CD2 4.07Å; F106-L120 HydrophobicContact CD2-CD2 4.05Å; F106-L120 HydrophobicContact CE2-CD2 3.83Å; L120-L135 CarbonylContact O-C 3.52Å; L120-L135 WeakPolarHBondContact O-CA 3.3Å; L120-Y136 PolarHBondContact N-O 3.17Å; L120-Y136 PolarHBondContact O-N 3Å; L120-F163 HydrophobicContact CB-CE1 4.18Å; L120-F163 HydrophobicContact CD2-CE1 3.98Å; L120-F163 HydrophobicContact CD2-CZ 4.07Å; L120-P164 HydrophobicContact CB-CB 4.26Å; L120-P164 HydrophobicContact CB-CG 4.06Å; L120-P164 HydrophobicContact CD1-CB 4.07Å; L120-L167 HydrophobicContact CD1-CD1 3.88Å; L120-L167 HydrophobicContact CD1-CD2 4.06Å; L120-L167 HydrophobicContact CD1-CG 4.41Å; L120-L167 HydrophobicContact CD2-CD1 3.94Å; L120-F168 HydrophobicContact CD1-CE2 3.77Å; L120-F168 HydrophobicContact CD1-CZ 3.9Å
121	P	98.9	Very high	98.4	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	150.8	172.5	30.2	-35.6	0	0	0	111.1	F21 M97 F106 V133 K134 F159 F163 P164	F21-P121 HydrophobicContact CD2-CB 4.35Å; M97-P121 HydrophobicContact CE-CG 3.53Å; F106-P121 HydrophobicContact CD1-CG 4.05Å; F106-P121 HydrophobicContact CE1-CG 4.01Å; F106-P121 HydrophobicContact CZ-CG 4.47Å; P121-V133 HydrophobicContact CB-CG2 3.86Å; P121-K134 CarbonylContact C-O 3.58Å; P121-K134 WeakPolarHBondContact CA-O 3.48Å; P121-F159 HydrophobicContact CB-CB 4.38Å; P121-F159 HydrophobicContact CB-CD1 3.44Å; P121-F159 VanDerWaalsContact CB-CD1 3.44Å; P121-F159 HydrophobicContact CB-CD2 4.46Å; P121-F159 HydrophobicContact CB-CE1 3.76Å; P121-F159 HydrophobicContact CB-CG 3.83Å; P121-F159 HydrophobicContact CB-CZ 4.41Å; P121-F159 HydrophobicContact CG-CD1 3.46Å; P121-F159 VanDerWaalsContact CG-CD1 3.46Å; P121-F159 HydrophobicContact CG-CE1 3.77Å; P121-F159 HydrophobicContact CG-CG 4.28Å; P121-F163 HydrophobicContact CG-CD1 4.47Å; P121-F163 HydrophobicContact CG-CE1 4.13Å; P121-F163 WeakPolarHBondContact O-CD1 3.1Å; P121-P164 VanDerWaalsContact O-CG 3.31Å; P121-P164 WeakPolarHBondContact O-CG 3.27Å
122	I	98.9	Very high	98.4	Very high	9 Å²	9	53.1 Å²	53.1	5%	0.046	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	144.5	177.7	-163.6	175.1	0	0	0	110.6	K134 V143 P164	I122-K134 HydrophobicContact CG2-CB 3.83Å; I122-K134 PolarHBondContact N-O 3Å; I122-K134 PolarHBondContact O-N 2.9Å; I122-V143 HydrophobicContact CG2-CG1 4.04Å; I122-P164 HydrophobicContact CB-CG 3.9Å; I122-P164 HydrophobicContact CD1-CG 3.99Å; I122-P164 HydrophobicContact CG1-CG 3.97Å
123	G	98.8	Very high	98.5	Very high	3 Å²	3	47.1 Å²	47.1	3%	0.031	26%	0.259	C	S	.	.			trans	-86.2	142.6	166.3	0	0	0	0	0	112.1	S125 G156 G160 T161	G123-S125 VanDerWaalsContact C-N 3.34Å; G123-G156 WeakPolarHBondContact CA-O 3.33Å; G123-G160 PolarHBondContact N-O 3.35Å; G123-T161 WeakPolarHBondContact O-CA 3.18Å
124	L	98.6	Very high	98.5	Very high	97 Å²	97	45.4 Å²	45.4	51%	0.508	25%	0.253	S	S	.	.	S	Bend	trans	-84.1	-16.9	167.1	-61.4	-176.5	0	0	0	112.5	A131 K134 V143	L124-A131 HydrophobicContact CB-CB 4Å; L124-K134 HydrophobicContact CD1-CD 4.39Å; L124-K134 HydrophobicContact CD1-CG 3.8Å; L124-K134 HydrophobicContact CD2-CB 4.5Å; L124-K134 HydrophobicContact CD2-CG 3.95Å; L124-K134 HydrophobicContact CG-CG 3.62Å; L124-V143 HydrophobicContact CD2-CG2 4.3Å
125	S	98.6	Very high	98.5	Very high	20 Å²	20	45.7 Å²	45.7	14%	0.14	25%	0.254	C	S	.	.			trans	-142.8	152.5	173.9	-175.6	0	0	0	0	108.3	G123 I127 E130	G123-S125 VanDerWaalsContact C-N 3.34Å; S125-I127 VanDerWaalsContact C-N 3.32Å; S125-I127 PolarHBondContact OG-N 3.18Å; S125-I127 VanDerWaalsContact OG-N 3.12Å; S125-E130 WeakPolarHBondContact CB-OE2 3.44Å; S125-E130 PolarHBondContact OG-OE2 3.05Å
126	D	98.6	Very high	98.6	Very high	88 Å²	88	40.4 Å²	40.4	47%	0.471	23%	0.229	S	C	.	.	S	Bend	trans	-91	0.4	170.8	-61.9	-51.6	0	0	0	111.6	G160 T161	D126-G160 WeakPolarHBondContact OD1-CA 3.33Å; D126-T161 WeakPolarHBondContact OD1-CG2 3.13Å; D126-T161 PolarHBondContact OD1-N 3.11Å; D126-T161 PolarHBondContact OD1-OG1 3.45Å; D126-T161 WeakPolarHBondContact OD2-CG2 3.42Å; D126-T161 PolarHBondContact OD2-OG1 3.16Å
127	I	98.3	Very high	98.6	Very high	93 Å²	93	34.8 Å²	34.8	48%	0.477	20%	0.199	S	C	.	.	S	Bend	trans	-95.1	119.1	179.1	-57.7	173.5	0	0	0	109.1	S125 E130	S125-I127 VanDerWaalsContact C-N 3.32Å; S125-I127 PolarHBondContact OG-N 3.18Å; S125-I127 VanDerWaalsContact OG-N 3.12Å; I127-E130 HydrophobicContact CB-CG 3.9Å; I127-E130 WeakPolarHBondContact CD1-OE1 3.43Å; I127-E130 HydrophobicContact CG2-CG 3.91Å; I127-E130 PolarHBondContact O-N 3.36Å
128	P	98.1	Very high	98.6	Very high	41 Å²	41	34.1 Å²	34.1	27%	0.266	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	140.5	175.8	-26.9	35.9	0	0	0	112.6	M78 L82 E130 A157	M78-P128 HydrophobicContact CE-CB 4.36Å; M78-P128 HydrophobicContact CE-CG 4.24Å; L82-P128 HydrophobicContact CD2-CG 3.92Å; P128-E130 VanDerWaalsContact C-N 3.32Å; P128-E130 PolarHBondContact O-N 3.06Å; P128-A157 HydrophobicContact CB-CB 4.49Å; P128-A157 HydrophobicContact CG-CB 4.06Å
129	G	97.2	Very high	98.6	Very high	60 Å²	60	34 Å²	34	62%	0.619	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.4	-11.3	179.5	0	0	0	0	0	115.1	D155	G129-D155 PolarHBondContact N-OD2 3.19Å
130	E	98.3	Very high	98.6	Very high	121 Å²	121	34.7 Å²	34.7	57%	0.565	20%	0.198	S	C	*	.	S	Bend	trans	-79.7	-39.5	-178.7	-70.9	-164.1	163.4	0	0	113.4	S125 I127 P128	S125-E130 WeakPolarHBondContact CB-OE2 3.44Å; S125-E130 PolarHBondContact OG-OE2 3.05Å; I127-E130 HydrophobicContact CB-CG 3.9Å; I127-E130 WeakPolarHBondContact CD1-OE1 3.43Å; I127-E130 HydrophobicContact CG2-CG 3.91Å; I127-E130 PolarHBondContact O-N 3.36Å; P128-E130 VanDerWaalsContact C-N 3.32Å; P128-E130 PolarHBondContact O-N 3.06Å
131	A	98.2	Very high	98.5	Very high	21 Å²	21	39.7 Å²	39.7	17%	0.174	22%	0.222	C	C	.	.			trans	-155.7	138.4	-178.5	0	0	0	0	0	112.6	L124 G156	L124-A131 HydrophobicContact CB-CB 4Å; A131-G156 WeakPolarHBondContact O-CA 3.45Å; A131-G156 PolarHBondContact O-N 3.14Å
132	M	98.7	Very high	98.5	Very high	63 Å²	63	43.4 Å²	43.4	31%	0.31	24%	0.243	S	C	.	.	B	Isolated β-bridge	trans	-73.8	158.1	172.8	-55.7	-64.3	126.2	0	0	111.6	H152 T154	M132-H152 VanDerWaalsContact CG-O 3.26Å; M132-H152 WeakPolarHBondContact CG-O 3.49Å; M132-T154 WeakPolarHBondContact CA-O 3.4Å
133	V	98.8	Very high	98.5	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.006	26%	0.257	C	S	.	.			trans	-52	138.3	-179.4	68.9	0	0	0	0	112.4	F21 P121 P146 T154 F159	F21-V133 HydrophobicContact CD2-CG1 4.18Å; F21-V133 HydrophobicContact CD2-CG2 4.27Å; F21-V133 HydrophobicContact CE2-CG1 4.23Å; P121-V133 HydrophobicContact CB-CG2 3.86Å; V133-P146 HydrophobicContact CG1-CG 4.2Å; V133-P146 VanDerWaalsContact O-CD 3.26Å; V133-P146 WeakPolarHBondContact O-CD 3.4Å; V133-P146 WeakPolarHBondContact O-CG 3.33Å; V133-T154 PolarHBondContact N-O 2.76Å; V133-F159 HydrophobicContact CB-CD2 3.94Å; V133-F159 HydrophobicContact CB-CE2 3.93Å; V133-F159 HydrophobicContact CG2-CD2 3.42Å; V133-F159 VanDerWaalsContact CG2-CD2 3.42Å; V133-F159 HydrophobicContact CG2-CE2 3.59Å; V133-F159 HydrophobicContact CG2-CG 4.05Å; V133-F159 HydrophobicContact CG2-CZ 4.34Å
134	K	98.9	Very high	98.5	Very high	41 Å²	41	47.4 Å²	47.4	18%	0.178	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	173.9	172	-57.1	-57.5	171.6	-165.5	0	110.1	P121 I122 L124 T145	P121-K134 CarbonylContact C-O 3.58Å; P121-K134 WeakPolarHBondContact CA-O 3.48Å; I122-K134 HydrophobicContact CG2-CB 3.83Å; I122-K134 PolarHBondContact N-O 3Å; I122-K134 PolarHBondContact O-N 2.9Å; L124-K134 HydrophobicContact CD1-CD 4.39Å; L124-K134 HydrophobicContact CD1-CG 3.8Å; L124-K134 HydrophobicContact CD2-CB 4.5Å; L124-K134 HydrophobicContact CD2-CG 3.95Å; L124-K134 HydrophobicContact CG-CG 3.62Å; K134-T145 PolarHBondContact NZ-OG1 3.21Å
135	L	98.9	Very high	98.5	Very high	6 Å²	6	47 Å²	47	3%	0.031	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	116.4	178.5	-61.9	170.9	0	0	0	109.5	F21 F106 M119 L120 V143 Y144 P146	F21-L135 HydrophobicContact CE2-CD2 3.81Å; F21-L135 HydrophobicContact CZ-CD1 4.37Å; F21-L135 HydrophobicContact CZ-CD2 3.87Å; F106-L135 HydrophobicContact CB-CD2 4.3Å; F106-L135 WeakPolarHBondContact O-CD1 3.42Å; F106-L135 WeakPolarHBondContact O-CD2 3.48Å; M119-L135 HydrophobicContact CB-CB 4.13Å; M119-L135 HydrophobicContact CE-CB 3.47Å; M119-L135 VanDerWaalsContact CE-CB 3.47Å; M119-L135 HydrophobicContact CE-CD1 3.45Å; M119-L135 VanDerWaalsContact CE-CD1 3.45Å; M119-L135 HydrophobicContact CE-CG 4.04Å; M119-L135 HydrophobicContact SD-CB 3.87Å; L120-L135 CarbonylContact O-C 3.52Å; L120-L135 WeakPolarHBondContact O-CA 3.3Å; L135-V143 CarbonylContact O-C 3.58Å; L135-V143 WeakPolarHBondContact O-CA 3.41Å; L135-Y144 PolarHBondContact N-O 3.48Å; L135-Y144 PolarHBondContact O-N 2.84Å; L135-P146 HydrophobicContact CD1-CB 4.18Å; L135-P146 HydrophobicContact CD1-CG 4.25Å; L135-P146 HydrophobicContact CG-CG 4.21Å
136	Y	98.9	Very high	98.5	Very high	11 Å²	11	46.2 Å²	46.2	4%	0.043	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	123.9	173.3	172.6	-100.7	0	0	0	110.2	M119 L120 P138 V143 P164 F168	M119-Y136 WeakPolarHBondContact CA-O 3.28Å; M119-Y136 WeakPolarHBondContact CB-O 3.33Å; L120-Y136 PolarHBondContact N-O 3.17Å; L120-Y136 PolarHBondContact O-N 3Å; Y136-P138 HydrophobicContact CE1-CB 3.97Å; Y136-V143 HydrophobicContact CD2-CG1 4.35Å; Y136-P164 HydrophobicContact CD1-CB 3.48Å; Y136-P164 VanDerWaalsContact CD1-CB 3.48Å; Y136-P164 HydrophobicContact CD1-CG 4.22Å; Y136-P164 HydrophobicContact CE1-CB 4.08Å; Y136-P164 HydrophobicContact CG-CB 3.97Å; Y136-P164 HydrophobicContact CG-CG 4.29Å; Y136-F168 HydrophobicContact CD1-CE2 4.44Å; Y136-F168 HydrophobicContact CE1-CD2 4.31Å; Y136-F168 AromaticContact CE1-CE2 3.88Å; Y136-F168 HydrophobicContact CE1-CE2 3.88Å
137	C	98.9	Very high	98.5	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	119.4	171.4	174.8	0	0	0	0	110.7	C109 M119 K139 C140 M141 D142 Y144	C109-C137 HydrophobicContact CB-CB 4.07Å; C109-C137 VanDerWaalsContact CB-SG 3.55Å; C109-C137 PolarHBondContact SG-SG 3.39Å; M119-C137 HydrophobicContact CG-CB 4Å; M119-C137 HydrophobicContact SD-CB 3.94Å; C137-K139 PolarHBondContact O-N 3.5Å; C137-K139 PolarHBondContact SG-N 2.93Å; C137-C140 WeakPolarHBondContact CB-SG 3.26Å; C137-C140 PolarHBondContact SG-SG 3.49Å; C137-M141 VanDerWaalsContact O-CA 3.3Å; C137-M141 WeakPolarHBondContact O-CA 3.19Å; C137-M141 PolarHBondContact O-N 2.81Å; C137-D142 PolarHBondContact N-O 2.8Å; C137-Y144 HydrophobicContact CB-CD2 4.24Å; C137-Y144 HydrophobicContact CB-CE2 3.81Å
138	P	98.8	Very high	98.4	Very high	4 Å²	4	49.7 Å²	49.7	3%	0.026	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-15.8	-178	30.5	-37	0	0	0	114.2	Y101 Q117 P118 Y136 F168 P176	Y101-P138 HydrophobicContact CE2-CG 4.33Å; Q117-P138 HydrophobicContact CG-CG 4.06Å; P118-P138 WeakPolarHBondContact O-CD 3.38Å; Y136-P138 HydrophobicContact CE1-CB 3.97Å; P138-F168 HydrophobicContact CB-CE1 4.21Å; P138-F168 HydrophobicContact CB-CE2 3.51Å; P138-F168 HydrophobicContact CB-CZ 3.32Å; P138-F168 HydrophobicContact CG-CE2 4.39Å; P138-F168 HydrophobicContact CG-CZ 3.89Å; P138-P176 HydrophobicContact CB-CG 3.95Å; P138-P176 HydrophobicContact CG-CG 4.02Å
139	K	98.5	Very high	98.4	Very high	29 Å²	29	51.6 Å²	51.6	13%	0.126	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-46.6	-179.8	-179	177.2	-76.8	178.8	0	112.7	C114 E115 Q117 C137 P176 P179	C114-K139 HydrophobicContact CB-CD 4.16Å; C114-K139 WeakPolarHBondContact O-CD 3.19Å; C114-K139 PolarHBondContact O-NZ 3.47Å; E115-K139 IonicContact OE2-NZ 3.77Å; Q117-K139 HydrophobicContact CB-CB 4.07Å; Q117-K139 HydrophobicContact CB-CD 4.29Å; Q117-K139 HydrophobicContact CG-CB 3.61Å; Q117-K139 VanDerWaalsContact OE1-CE 3.25Å; C137-K139 PolarHBondContact O-N 3.5Å; C137-K139 PolarHBondContact SG-N 2.93Å; K139-P176 HydrophobicContact CB-CB 4.35Å; K139-P176 HydrophobicContact CB-CG 3.8Å; K139-P179 HydrophobicContact CD-CG 4.26Å; K139-P179 HydrophobicContact CG-CG 3.9Å
140	C	98.3	Very high	98.4	Very high	21 Å²	21	53.9 Å²	53.9	14%	0.142	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-9.2	176.7	61.7	0	0	0	0	114.3	R111 C114 C137 Y144	R111-C140 VanDerWaalsContact NH1-CB 3.34Å; C114-C140 VanDerWaalsContact SG-CB 3.56Å; C137-C140 WeakPolarHBondContact CB-SG 3.26Å; C137-C140 PolarHBondContact SG-SG 3.49Å; C140-Y144 PolarHBondContact SG-OH 3Å
141	M	98.4	Very high	98.4	Very high	104 Å²	104	49.1 Å²	49.1	51%	0.512	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.1	47.2	178.1	-54.6	177.4	66.5	0	0	112.3	C137	C137-M141 VanDerWaalsContact O-CA 3.3Å; C137-M141 WeakPolarHBondContact O-CA 3.19Å; C137-M141 PolarHBondContact O-N 2.81Å
142	D	98.7	Very high	98.4	Very high	79 Å²	79	51.6 Å²	51.6	42%	0.422	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	163.7	-176.1	-160.6	0.5	0	0	0	109.4	C137 Y144	C137-D142 PolarHBondContact N-O 2.8Å; D142-Y144 HydrophobicContact CB-CE2 4.33Å
143	V	98.8	Very high	98.4	Very high	58 Å²	58	56.6 Å²	56.6	35%	0.352	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	144	-171.7	-64.5	0	0	0	0	112.3	I122 L124 L135 Y136	I122-V143 HydrophobicContact CG2-CG1 4.04Å; L124-V143 HydrophobicContact CD2-CG2 4.3Å; L135-V143 CarbonylContact O-C 3.58Å; L135-V143 WeakPolarHBondContact O-CA 3.41Å; Y136-V143 HydrophobicContact CD2-CG1 4.35Å
144	Y	98.9	Very high	98.4	Very high	38 Å²	38	57 Å²	57	15%	0.149	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	148.3	-177	-57.9	-79.1	0	0	0	111.3	P110 R111 M119 L135 C137 C140 D142	P110-Y144 HydrophobicContact CG-CD1 3.34Å; P110-Y144 HydrophobicContact CG-CD2 4.22Å; P110-Y144 HydrophobicContact CG-CE1 3.85Å; P110-Y144 HydrophobicContact CG-CG 3.58Å; R111-Y144 WeakPolarHBondContact CD-OH 3.35Å; R111-Y144 HydrophobicContact CG-CE1 4.2Å; M119-Y144 HydrophobicContact SD-CD2 3.81Å; L135-Y144 PolarHBondContact N-O 3.48Å; L135-Y144 PolarHBondContact O-N 2.84Å; C137-Y144 HydrophobicContact CB-CD2 4.24Å; C137-Y144 HydrophobicContact CB-CE2 3.81Å; C140-Y144 PolarHBondContact SG-OH 3Å; D142-Y144 HydrophobicContact CB-CE2 4.33Å
145	T	98.7	Very high	98.4	Very high	87 Å²	87	55.7 Å²	55.7	53%	0.534	28%	0.281	S	S	.	.			trans	-72.1	137.8	169.6	-64.1	0	0	0	0	109.7	K134 K147	K134-T145 PolarHBondContact NZ-OG1 3.21Å; T145-K147 PolarHBondContact O-N 3.36Å
146	P	98.6	Very high	98.4	Very high	5 Å²	5	55.4 Å²	55.4	3%	0.032	28%	0.279	C	S	.	.			trans	-52.4	138.2	174.3	-27.1	34.2	0	0	0	112.7	F21 V133 L135 H151 H152	F21-P146 HydrophobicContact CE2-CB 4.47Å; F21-P146 HydrophobicContact CE2-CG 4.19Å; V133-P146 HydrophobicContact CG1-CG 4.2Å; V133-P146 VanDerWaalsContact O-CD 3.26Å; V133-P146 WeakPolarHBondContact O-CD 3.4Å; V133-P146 WeakPolarHBondContact O-CG 3.33Å; L135-P146 HydrophobicContact CD1-CB 4.18Å; L135-P146 HydrophobicContact CD1-CG 4.25Å; L135-P146 HydrophobicContact CG-CG 4.21Å; P146-H151 HydrophobicContact CB-CB 3.69Å; P146-H151 HydrophobicContact CG-CB 4.13Å; P146-H152 PolarHBondContact O-NE2 2.98Å
147	K	97	Very high	98.4	Very high	212 Å²	212	55 Å²	55	92%	0.922	28%	0.279	S	S	*	.	S	Bend	trans	-69.6	-40.5	-175.3	-177.5	-178.1	177.2	-175.5	0	112.6	T145	T145-K147 PolarHBondContact O-N 3.36Å
148	S	97.1	Very high	98.4	Very high	42 Å²	42	56.8 Å²	56.8	29%	0.294	29%	0.286	S	S	.	.	S	Bend	trans	-86.9	134.7	-178.7	-168	0	0	0	0	110	R150 H151 H152	S148-R150 PolarHBondContact O-N 2.84Å; S148-R150 VanDerWaalsContact O-N 3.14Å; S148-R150 PolarHBondContact OG-NE 3.05Å; S148-H151 PolarHBondContact O-N 2.86Å; S148-H152 PolarHBondContact O-CD2 3.33Å; S148-H152 PolarHBondContact O-NE2 3.45Å
149	S	97.5	Very high	98.4	Very high	80 Å²	80	56.6 Å²	56.6	56%	0.559	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-63.5	-15.6	175.8	54.3	0	0	0	0	114	H151 H152	S149-H151 PolarHBondContact O-N 3.01Å; S149-H152 WeakPolarHBondContact O-CB 3.3Å; S149-H152 PolarHBondContact O-N 2.78Å
150	R	97.8	Very high	98.4	Very high	109 Å²	109	55.6 Å²	55.6	41%	0.411	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-61.8	-28.4	175.4	78.9	-179.9	76.1	178.2	0.7	112.6	R17 G18 E20 S148	R17-R150 HydrophobicContact CG-CB 4.42Å; G18-R150 WeakPolarHBondContact CA-O 3.29Å; E20-R150 WeakPolarHBondContact OE1-CD 3.23Å; E20-R150 IonicContact OE1-CZ 3.65Å; E20-R150 IonicContact OE1-NE 3.19Å; E20-R150 IonicContact OE1-NH1 2.76Å; E20-R150 PolarHBondContact OE1-NH1 3.06Å; S148-R150 PolarHBondContact O-N 2.84Å; S148-R150 VanDerWaalsContact O-N 3.14Å; S148-R150 PolarHBondContact OG-NE 3.05Å
151	H	98.4	Very high	98.4	Very high	20 Å²	20	57 Å²	57	9%	0.093	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-95.1	7.1	-178.8	-57.6	120.2	0	0	0	112.7	G18 E20 F21 P146 S148 S149 H153	G18-H151 PolarHBondContact O-CD2 3.26Å; E20-H151 IonicContact OE2-CD2 2.77Å; E20-H151 IonicContact OE2-CE1 3.67Å; E20-H151 IonicContact OE2-NE2 2.89Å; E20-H151 PolarHBondContact OE2-NE2 2.96Å; F21-H151 AromaticContact CE1-CE1 3.78Å; F21-H151 AromaticContact CE1-NE2 3.8Å; F21-H151 HydrophobicContact CE2-CB 3.98Å; F21-H151 AromaticContact CE2-CG 3.84Å; F21-H151 HydrophobicContact CZ-CB 4.22Å; F21-H151 AromaticContact CZ-CD2 3.89Å; F21-H151 AromaticContact CZ-CE1 3.85Å; F21-H151 AromaticContact CZ-CG 3.67Å; F21-H151 AromaticContact CZ-ND1 3.68Å; P146-H151 HydrophobicContact CB-CB 3.69Å; P146-H151 HydrophobicContact CG-CB 4.13Å; S148-H151 PolarHBondContact O-N 2.86Å; S149-H151 PolarHBondContact O-N 3.01Å; H151-H153 VanDerWaalsContact C-N 3.31Å
152	H	98.3	Very high	98.4	Very high	73 Å²	73	53.5 Å²	53.5	34%	0.338	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-7.4	-175	-69.9	-177.6	0	0	0	113.9	M132 P146 S148 S149	M132-H152 VanDerWaalsContact CG-O 3.26Å; M132-H152 WeakPolarHBondContact CG-O 3.49Å; P146-H152 PolarHBondContact O-NE2 2.98Å; S148-H152 PolarHBondContact O-CD2 3.33Å; S148-H152 PolarHBondContact O-NE2 3.45Å; S149-H152 WeakPolarHBondContact O-CB 3.3Å; S149-H152 PolarHBondContact O-N 2.78Å
153	H	98.2	Very high	98.4	Very high	168 Å²	168	49.8 Å²	49.8	78%	0.778	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.3	6.5	-178.6	-55.5	94.2	0	0	0	112.7	H151	H151-H153 VanDerWaalsContact C-N 3.31Å
154	T	98.7	Very high	98.4	Very high	10 Å²	10	47 Å²	47	6%	0.061	24%	0.244	C	C	.	.	S	Bend	trans	-86.5	123.8	174.4	-42.1	0	0	0	0	109.1	G18 F22 M132 V133 F159	G18-T154 PolarHBondContact O-OG1 3.2Å; F22-T154 HydrophobicContact CE2-CG2 3.54Å; F22-T154 HydrophobicContact CZ-CG2 3.68Å; M132-T154 WeakPolarHBondContact CA-O 3.4Å; V133-T154 PolarHBondContact N-O 2.76Å; T154-F159 HydrophobicContact CG2-CE2 3.76Å; T154-F159 HydrophobicContact CG2-CZ 4.25Å
155	D	98.8	Very high	98.4	Very high	14 Å²	14	49.7 Å²	49.7	8%	0.075	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-65.2	136.5	-179.3	-156	-59.6	0	0	0	111.5	G129 A157 Y158	G129-D155 PolarHBondContact N-OD2 3.19Å; D155-A157 VanDerWaalsContact C-N 3.3Å; D155-A157 VanDerWaalsContact OD1-CB 3.25Å; D155-A157 WeakPolarHBondContact OD1-CB 3.3Å; D155-A157 PolarHBondContact OD1-N 3.12Å; D155-Y158 HydrophobicContact CB-CD1 4.28Å; D155-Y158 HydrophobicContact CB-CD2 3.63Å; D155-Y158 HydrophobicContact CB-CE1 4.12Å; D155-Y158 HydrophobicContact CB-CE2 3.46Å; D155-Y158 VanDerWaalsContact CB-CE2 3.46Å; D155-Y158 HydrophobicContact CB-CG 4.04Å; D155-Y158 PolarHBondContact O-N 2.82Å
156	G	98.9	Very high	98.4	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-71	-27	177.9	0	0	0	0	0	112.9	G123 A131 Y158 F159 G160	G123-G156 WeakPolarHBondContact CA-O 3.33Å; A131-G156 WeakPolarHBondContact O-CA 3.45Å; A131-G156 PolarHBondContact O-N 3.14Å; G156-Y158 PolarHBondContact O-N 3.08Å; G156-Y158 VanDerWaalsContact O-N 3.15Å; G156-F159 PolarHBondContact O-N 3.08Å; G156-G160 PolarHBondContact O-N 3.24Å
157	A	98.8	Very high	98.4	Very high	3 Å²	3	49.2 Å²	49.2	3%	0.025	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-59.7	-25	177.2	0	0	0	0	0	112.1	A85 P128 D155 F159 G160	A85-A157 VanDerWaalsContact CB-O 3.27Å; A85-A157 WeakPolarHBondContact CB-O 3.46Å; P128-A157 HydrophobicContact CB-CB 4.49Å; P128-A157 HydrophobicContact CG-CB 4.06Å; D155-A157 VanDerWaalsContact C-N 3.3Å; D155-A157 VanDerWaalsContact OD1-CB 3.25Å; D155-A157 WeakPolarHBondContact OD1-CB 3.3Å; D155-A157 PolarHBondContact OD1-N 3.12Å; A157-F159 PolarHBondContact O-N 3.32Å; A157-G160 PolarHBondContact O-N 3.34Å
158	Y	98.9	Very high	98.5	Very high	37 Å²	37	39.4 Å²	39.4	15%	0.145	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-75.5	-5.5	179	-53.9	-22.8	0	0	0	114.4	F22 G81 L82 H84 A85 D155 G156	F22-Y158 HydrophobicContact CZ-CD2 4.09Å; G81-Y158 VanDerWaalsContact C-CD1 3.41Å; G81-Y158 VanDerWaalsContact CA-CD1 3.49Å; G81-Y158 VanDerWaalsContact CA-CG 3.41Å; G81-Y158 VanDerWaalsContact O-CA 3.28Å; G81-Y158 WeakPolarHBondContact O-CA 3.2Å; G81-Y158 WeakPolarHBondContact O-CB 3.35Å; L82-Y158 HydrophobicContact CD2-CD1 4.42Å; L82-Y158 HydrophobicContact CD2-CE1 4.43Å; L82-Y158 HydrophobicContact CG-CE1 4.4Å; H84-Y158 PolarHBondContact ND1-O 3.38Å; A85-Y158 WeakPolarHBondContact CA-O 3.38Å; A85-Y158 PolarHBondContact N-O 3.33Å; D155-Y158 HydrophobicContact CB-CD1 4.28Å; D155-Y158 HydrophobicContact CB-CD2 3.63Å; D155-Y158 HydrophobicContact CB-CE1 4.12Å; D155-Y158 HydrophobicContact CB-CE2 3.46Å; D155-Y158 VanDerWaalsContact CB-CE2 3.46Å; D155-Y158 HydrophobicContact CB-CG 4.04Å; D155-Y158 PolarHBondContact O-N 2.82Å; G156-Y158 PolarHBondContact O-N 3.08Å; G156-Y158 VanDerWaalsContact O-N 3.15Å
159	F	98.9	Very high	98.6	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.8	-19.4	173	-59.8	-86.2	0	0	0	112.2	F21 F22 H84 I88 M97 P121 V133 T154 G156 A157 F163	F21-F159 HydrophobicContact CB-CE1 3.7Å; F21-F159 HydrophobicContact CB-CZ 3.58Å; F22-F159 HydrophobicContact CD1-CZ 4.38Å; F22-F159 HydrophobicContact CD2-CZ 4.41Å; F22-F159 HydrophobicContact CE1-CZ 4.18Å; F22-F159 HydrophobicContact CE2-CZ 4.23Å; F22-F159 HydrophobicContact CG-CZ 4.49Å; F22-F159 HydrophobicContact CZ-CE2 4.28Å; F22-F159 HydrophobicContact CZ-CZ 4.11Å; H84-F159 AromaticContact CE1-CD1 3.88Å; H84-F159 AromaticContact CE1-CE1 3.77Å; I88-F159 HydrophobicContact CD1-CB 4.37Å; I88-F159 HydrophobicContact CD1-CD1 4.37Å; I88-F159 WeakPolarHBondContact CD1-O 3.45Å; M97-F159 HydrophobicContact CE-CD1 4.49Å; P121-F159 HydrophobicContact CB-CB 4.38Å; P121-F159 HydrophobicContact CB-CD1 3.44Å; P121-F159 VanDerWaalsContact CB-CD1 3.44Å; P121-F159 HydrophobicContact CB-CD2 4.46Å; P121-F159 HydrophobicContact CB-CE1 3.76Å; P121-F159 HydrophobicContact CB-CG 3.83Å; P121-F159 HydrophobicContact CB-CZ 4.41Å; P121-F159 HydrophobicContact CG-CD1 3.46Å; P121-F159 VanDerWaalsContact CG-CD1 3.46Å; P121-F159 HydrophobicContact CG-CE1 3.77Å; P121-F159 HydrophobicContact CG-CG 4.28Å; V133-F159 HydrophobicContact CB-CD2 3.94Å; V133-F159 HydrophobicContact CB-CE2 3.93Å; V133-F159 HydrophobicContact CG2-CD2 3.42Å; V133-F159 VanDerWaalsContact CG2-CD2 3.42Å; V133-F159 HydrophobicContact CG2-CE2 3.59Å; V133-F159 HydrophobicContact CG2-CG 4.05Å; V133-F159 HydrophobicContact CG2-CZ 4.34Å; T154-F159 HydrophobicContact CG2-CE2 3.76Å; T154-F159 HydrophobicContact CG2-CZ 4.25Å; G156-F159 PolarHBondContact O-N 3.08Å; A157-F159 PolarHBondContact O-N 3.32Å; F159-F163 WeakPolarHBondContact O-CB 3.43Å
160	G	98.7	Very high	98.6	Very high	8 Å²	8	43.2 Å²	43.2	8%	0.082	22%	0.217	C	C	.	.			trans	72.1	160.3	-179.7	0	0	0	0	0	114.7	G123 D126 G156 A157 G162	G123-G160 PolarHBondContact N-O 3.35Å; D126-G160 WeakPolarHBondContact OD1-CA 3.33Å; G156-G160 PolarHBondContact O-N 3.24Å; A157-G160 PolarHBondContact O-N 3.34Å; G160-G162 VanDerWaalsContact C-N 3.35Å
161	T	98.8	Very high	98.7	Very high	51 Å²	51	40.2 Å²	40.2	31%	0.313	21%	0.208	S	C	.	.	S	Bend	trans	-75.3	-26.2	180	58.9	0	0	0	0	112.7	G123 D126 H165	G123-T161 WeakPolarHBondContact O-CA 3.18Å; D126-T161 WeakPolarHBondContact OD1-CG2 3.13Å; D126-T161 PolarHBondContact OD1-N 3.11Å; D126-T161 PolarHBondContact OD1-OG1 3.45Å; D126-T161 WeakPolarHBondContact OD2-CG2 3.42Å; D126-T161 PolarHBondContact OD2-OG1 3.16Å; T161-H165 PolarHBondContact O-CD2 3.31Å
162	G	98.6	Very high	98.7	Very high	30 Å²	30	43 Å²	43	31%	0.309	23%	0.228	S	C	.	.	S	Bend	trans	-94.2	-16	-172.3	0	0	0	0	0	116	G160 H165 M166	G160-G162 VanDerWaalsContact C-N 3.35Å; G162-H165 WeakPolarHBondContact O-CB 3.27Å; G162-H165 PolarHBondContact O-N 3.47Å; G162-H165 VanDerWaalsContact O-N 3.07Å; G162-M166 PolarHBondContact O-N 3.05Å
163	F	98.9	Very high	98.7	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-55.8	-54.7	-164.9	160.7	-112	0	0	0	114.4	I88 L89 M97 L120 P121 F159 H165 M166 L167	I88-F163 HydrophobicContact CB-CD2 3.86Å; I88-F163 HydrophobicContact CB-CE2 4.02Å; I88-F163 HydrophobicContact CD1-CB 3.85Å; I88-F163 HydrophobicContact CD1-CD1 3.9Å; I88-F163 HydrophobicContact CD1-CD2 3.77Å; I88-F163 HydrophobicContact CD1-CE1 4.47Å; I88-F163 HydrophobicContact CD1-CE2 4.35Å; I88-F163 HydrophobicContact CD1-CG 3.53Å; I88-F163 HydrophobicContact CG1-CB 4.16Å; I88-F163 HydrophobicContact CG1-CD2 3.68Å; I88-F163 HydrophobicContact CG1-CE2 4.32Å; I88-F163 HydrophobicContact CG1-CG 3.92Å; I88-F163 VanDerWaalsContact O-CD2 3.23Å; I88-F163 WeakPolarHBondContact O-CD2 3.26Å; I88-F163 WeakPolarHBondContact O-CE2 3.28Å; L89-F163 HydrophobicContact CD2-CB 4.2Å; M97-F163 HydrophobicContact CB-CE2 3.99Å; M97-F163 HydrophobicContact CB-CZ 3.53Å; M97-F163 HydrophobicContact CE-CE1 3.88Å; M97-F163 HydrophobicContact CE-CZ 3.98Å; M97-F163 HydrophobicContact CG-CE2 4.15Å; M97-F163 HydrophobicContact CG-CZ 3.9Å; L120-F163 HydrophobicContact CB-CE1 4.18Å; L120-F163 HydrophobicContact CD2-CE1 3.98Å; L120-F163 HydrophobicContact CD2-CZ 4.07Å; P121-F163 HydrophobicContact CG-CD1 4.47Å; P121-F163 HydrophobicContact CG-CE1 4.13Å; P121-F163 WeakPolarHBondContact O-CD1 3.1Å; F159-F163 WeakPolarHBondContact O-CB 3.43Å; F163-H165 PolarHBondContact O-N 2.93Å; F163-M166 PolarHBondContact O-N 2.96Å; F163-M166 VanDerWaalsContact O-N 3.16Å; F163-L167 HydrophobicContact CE2-CB 4.36Å; F163-L167 HydrophobicContact CE2-CD1 4.05Å; F163-L167 HydrophobicContact CZ-CD1 3.78Å; F163-L167 PolarHBondContact O-N 3.09Å
164	P	98.8	Very high	98.7	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-62.6	-31.4	-179.9	-24.5	35.8	0	0	0	112.9	L120 P121 I122 Y136 F168	L120-P164 HydrophobicContact CB-CB 4.26Å; L120-P164 HydrophobicContact CB-CG 4.06Å; L120-P164 HydrophobicContact CD1-CB 4.07Å; P121-P164 VanDerWaalsContact O-CG 3.31Å; P121-P164 WeakPolarHBondContact O-CG 3.27Å; I122-P164 HydrophobicContact CB-CG 3.9Å; I122-P164 HydrophobicContact CD1-CG 3.99Å; I122-P164 HydrophobicContact CG1-CG 3.97Å; Y136-P164 HydrophobicContact CD1-CB 3.48Å; Y136-P164 VanDerWaalsContact CD1-CB 3.48Å; Y136-P164 HydrophobicContact CD1-CG 4.22Å; Y136-P164 HydrophobicContact CE1-CB 4.08Å; Y136-P164 HydrophobicContact CG-CB 3.97Å; Y136-P164 HydrophobicContact CG-CG 4.29Å; P164-F168 WeakPolarHBondContact O-CD2 3.28Å; P164-F168 PolarHBondContact O-N 3.05Å
165	H	98.7	Very high	98.7	Very high	94 Å²	94	47.2 Å²	47.2	44%	0.435	24%	0.238	S	C	.	.	H	α-helix	trans	-66.9	-46.6	177.2	-55.7	-52.5	0	0	0	110.9	T161 G162 F163 L167 F168 M169	T161-H165 PolarHBondContact O-CD2 3.31Å; G162-H165 WeakPolarHBondContact O-CB 3.27Å; G162-H165 PolarHBondContact O-N 3.47Å; G162-H165 VanDerWaalsContact O-N 3.07Å; F163-H165 PolarHBondContact O-N 2.93Å; H165-L167 VanDerWaalsContact C-N 3.35Å; H165-L167 PolarHBondContact O-N 3.2Å; H165-F168 PolarHBondContact O-N 2.88Å; H165-M169 WeakPolarHBondContact O-CG 3.42Å; H165-M169 PolarHBondContact O-N 2.99Å; H165-M169 VanDerWaalsContact O-N 3.09Å
166	M	98.7	Very high	98.6	Very high	83 Å²	83	48 Å²	48	41%	0.409	25%	0.245	S	C	.	.	H	α-helix	trans	-60.8	-44.6	176.8	-171.9	62.5	106.7	0	0	111.3	L89 I94 G162 F163 F168 M169 V170	L89-M166 HydrophobicContact CD2-CB 3.86Å; L89-M166 HydrophobicContact CD2-CG 4.21Å; I94-M166 HydrophobicContact CD1-CG 3.97Å; G162-M166 PolarHBondContact O-N 3.05Å; F163-M166 PolarHBondContact O-N 2.96Å; F163-M166 VanDerWaalsContact O-N 3.16Å; M166-F168 VanDerWaalsContact C-N 3.32Å; M166-F168 PolarHBondContact O-N 3.49Å; M166-M169 WeakPolarHBondContact O-CB 3.39Å; M166-M169 PolarHBondContact O-N 3.13Å; M166-V170 HydrophobicContact CG-CG2 4.44Å; M166-V170 PolarHBondContact O-N 3.19Å; M166-V170 HydrophobicContact SD-CG2 4.43Å
167	L	98.8	Very high	98.6	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-54	-47.3	178	-176.2	152.6	0	0	0	111.7	I94 L98 L120 F163 H165 M169 V170 H171	I94-L167 HydrophobicContact CG2-CD1 4.42Å; I94-L167 HydrophobicContact CG2-CG 4.13Å; L98-L167 HydrophobicContact CD1-CD2 4.41Å; L120-L167 HydrophobicContact CD1-CD1 3.88Å; L120-L167 HydrophobicContact CD1-CD2 4.06Å; L120-L167 HydrophobicContact CD1-CG 4.41Å; L120-L167 HydrophobicContact CD2-CD1 3.94Å; F163-L167 HydrophobicContact CE2-CB 4.36Å; F163-L167 HydrophobicContact CE2-CD1 4.05Å; F163-L167 HydrophobicContact CZ-CD1 3.78Å; F163-L167 PolarHBondContact O-N 3.09Å; H165-L167 VanDerWaalsContact C-N 3.35Å; H165-L167 PolarHBondContact O-N 3.2Å; L167-M169 VanDerWaalsContact C-N 3.33Å; L167-M169 PolarHBondContact O-N 2.81Å; L167-V170 PolarHBondContact O-N 3.26Å; L167-H171 WeakPolarHBondContact O-CB 3.45Å; L167-H171 PolarHBondContact O-N 3.35Å
168	F	98.6	Very high	98.5	Very high	5 Å²	5	66.9 Å²	66.9	2%	0.022	32%	0.321	C	S	.	.	H	α-helix	trans	-78.1	-12.8	178.5	-66.1	-61.7	0	0	0	114.8	L120 Y136 P138 P164 H165 M166 P172 R175	L120-F168 HydrophobicContact CD1-CE2 3.77Å; L120-F168 HydrophobicContact CD1-CZ 3.9Å; Y136-F168 HydrophobicContact CD1-CE2 4.44Å; Y136-F168 HydrophobicContact CE1-CD2 4.31Å; Y136-F168 AromaticContact CE1-CE2 3.88Å; Y136-F168 HydrophobicContact CE1-CE2 3.88Å; P138-F168 HydrophobicContact CB-CE1 4.21Å; P138-F168 HydrophobicContact CB-CE2 3.51Å; P138-F168 HydrophobicContact CB-CZ 3.32Å; P138-F168 HydrophobicContact CG-CE2 4.39Å; P138-F168 HydrophobicContact CG-CZ 3.89Å; P164-F168 WeakPolarHBondContact O-CD2 3.28Å; P164-F168 PolarHBondContact O-N 3.05Å; H165-F168 PolarHBondContact O-N 2.88Å; M166-F168 VanDerWaalsContact C-N 3.32Å; M166-F168 PolarHBondContact O-N 3.49Å; F168-P172 WeakPolarHBondContact O-CA 3.46Å; F168-R175 HydrophobicContact CD1-CB 3.98Å; F168-R175 HydrophobicContact CE1-CB 4.48Å
169	M	98.5	Very high	98.4	Very high	148 Å²	148	67 Å²	67	73%	0.729	33%	0.326	S	S	*	.	H	α-helix	trans	-77.4	-37.2	169.1	-72.6	-63.3	-64.6	0	0	111.1	H165 M166 L167	H165-M169 WeakPolarHBondContact O-CG 3.42Å; H165-M169 PolarHBondContact O-N 2.99Å; H165-M169 VanDerWaalsContact O-N 3.09Å; M166-M169 WeakPolarHBondContact O-CB 3.39Å; M166-M169 PolarHBondContact O-N 3.13Å; L167-M169 VanDerWaalsContact C-N 3.33Å; L167-M169 PolarHBondContact O-N 2.81Å
170	V	98.5	Very high	98.2	Very high	55 Å²	55	71 Å²	71	33%	0.333	36%	0.359	S	S	.	.	H	α-helix	trans	-77.6	-41.2	175.7	179	0	0	0	0	111.4	I94 M166 L167 P172	I94-V170 HydrophobicContact CD1-CB 4.29Å; I94-V170 HydrophobicContact CD1-CG2 3.81Å; M166-V170 HydrophobicContact CG-CG2 4.44Å; M166-V170 PolarHBondContact O-N 3.19Å; M166-V170 HydrophobicContact SD-CG2 4.43Å; L167-V170 PolarHBondContact O-N 3.26Å; V170-P172 VanDerWaalsContact C-CD 3.42Å; V170-P172 VanDerWaalsContact O-CD 3.29Å; V170-P172 WeakPolarHBondContact O-CD 3.45Å
171	H	98.6	Very high	98	Very high	46 Å²	46	75.8 Å²	75.8	21%	0.213	38%	0.383	C	S	.	.			trans	-122.1	67.2	-175.9	-73.1	-67.7	0	0	0	112.2	L167 E173 Y174	L167-H171 WeakPolarHBondContact O-CB 3.45Å; L167-H171 PolarHBondContact O-N 3.35Å; H171-E173 WeakPolarHBondContact CA-OE2 3.42Å; H171-E173 IonicContact CG-OE1 3.89Å; H171-E173 IonicContact ND1-OE1 2.78Å; H171-E173 PolarHBondContact ND1-OE1 3.19Å; H171-E173 PolarHBondContact O-N 3.24Å; H171-Y174 HydrophobicContact CB-CD2 3.89Å; H171-Y174 PolarHBondContact O-N 3.11Å
172	P	98.5	Very high	97.9	Very high	79 Å²	79	80.3 Å²	80.3	51%	0.513	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-62.2	-25.8	-178.3	26	-35.2	0	0	0	113.6	F168 V170 Y174 R175	F168-P172 WeakPolarHBondContact O-CA 3.46Å; V170-P172 VanDerWaalsContact C-CD 3.42Å; V170-P172 VanDerWaalsContact O-CD 3.29Å; V170-P172 WeakPolarHBondContact O-CD 3.45Å; P172-Y174 PolarHBondContact O-N 3.48Å; P172-R175 WeakPolarHBondContact O-CB 3.31Å; P172-R175 PolarHBondContact O-N 2.83Å; P172-R175 VanDerWaalsContact O-N 3.11Å
173	E	98.3	Very high	97.8	Very high	129 Å²	129	85.5 Å²	85.5	60%	0.603	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-63.3	-22	177.5	66.9	-77.7	-178.6	0	0	113.7	H171 R175	H171-E173 WeakPolarHBondContact CA-OE2 3.42Å; H171-E173 IonicContact CG-OE1 3.89Å; H171-E173 IonicContact ND1-OE1 2.78Å; H171-E173 PolarHBondContact ND1-OE1 3.19Å; H171-E173 PolarHBondContact O-N 3.24Å; E173-R175 VanDerWaalsContact C-N 3.34Å
174	Y	98.4	Very high	97.7	Very high	80 Å²	80	88.7 Å²	88.7	31%	0.314	43%	0.434	S	S	.	.	G	3₁₀ helix	trans	-85.4	-6.1	176.3	-77.8	-90	0	0	0	113.6	L98 Y101 Q102 H171 P172 P176	L98-Y174 HydrophobicContact CD1-CD1 3.82Å; L98-Y174 HydrophobicContact CD1-CD2 4.27Å; L98-Y174 HydrophobicContact CD1-CE1 4.01Å; L98-Y174 HydrophobicContact CD1-CE2 4.42Å; L98-Y174 HydrophobicContact CD1-CG 3.95Å; L98-Y174 HydrophobicContact CD2-CD2 4.18Å; L98-Y174 HydrophobicContact CD2-CE1 4.43Å; L98-Y174 HydrophobicContact CD2-CE2 3.75Å; L98-Y174 HydrophobicContact CG-CE1 4.44Å; Y101-Y174 HydrophobicContact CE1-CD1 4.49Å; Q102-Y174 HydrophobicContact CG-CE1 4.37Å; Q102-Y174 PolarHBondContact NE2-OH 3.03Å; H171-Y174 HydrophobicContact CB-CD2 3.89Å; H171-Y174 PolarHBondContact O-N 3.11Å; P172-Y174 PolarHBondContact O-N 3.48Å; Y174-P176 WeakPolarHBondContact O-CD 3.48Å
175	R	98.3	Very high	97.7	Very high	129 Å²	129	90.3 Å²	90.3	49%	0.487	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-70.3	118.9	177.8	-175.2	172.6	-84.7	-170.1	-3.5	109.8	F168 P172 E173	F168-R175 HydrophobicContact CD1-CB 3.98Å; F168-R175 HydrophobicContact CE1-CB 4.48Å; P172-R175 WeakPolarHBondContact O-CB 3.31Å; P172-R175 PolarHBondContact O-N 2.83Å; P172-R175 VanDerWaalsContact O-N 3.11Å; E173-R175 VanDerWaalsContact C-N 3.34Å
176	P	98.1	Very high	97.6	Very high	32 Å²	32	92.9 Å²	92.9	21%	0.208	45%	0.45	C	S	.	.	P	Polyproline II helix	trans	-71.6	157.4	-177.5	31.3	-36.4	0	0	0	111.6	P138 K139 Y174	P138-P176 HydrophobicContact CB-CG 3.95Å; P138-P176 HydrophobicContact CG-CG 4.02Å; K139-P176 HydrophobicContact CB-CB 4.35Å; K139-P176 HydrophobicContact CB-CG 3.8Å; Y174-P176 WeakPolarHBondContact O-CD 3.48Å
177	K	97.8	Very high	97.6	Very high	192 Å²	192	94 Å²	94	84%	0.835	46%	0.457	S	S	*	.	P	Polyproline II helix	trans	-64.5	146.6	165.9	-64	-180	-177.1	176.4	0	109.6
178	R	96.4	Very high	97.5	Very high	207 Å²	207	104.1 Å²	104.1	78%	0.781	50%	0.497	S	S	*	.	P	Polyproline II helix	trans	-58.7	157.6	175.3	-64.1	-153.5	-155.8	-168.4	8.2	111.6	A180	R178-A180 PolarHBondContact O-N 3.35Å
179	P	96.7	Very high	97.4	Very high	40 Å²	40	106.3 Å²	106.3	26%	0.26	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-49.9	129.6	176.3	-29.7	37.8	0	0	0	112.5	Y113 K139 N181	Y113-P179 WeakPolarHBondContact O-CB 3.24Å; K139-P179 HydrophobicContact CD-CG 4.26Å; K139-P179 HydrophobicContact CG-CG 3.9Å; P179-N181 VanDerWaalsContact C-N 3.29Å; P179-N181 PolarHBondContact O-N 3.08Å
180	A	96.3	Very high	97.4	Very high	84 Å²	84	107 Å²	107	69%	0.694	52%	0.52	S	S	*	.	S	Bend	trans	-69.7	-29.7	178.4	0	0	0	0	0	112.4	R178	R178-A180 PolarHBondContact O-N 3.35Å
181	N	94.8	Very high	97.4	Very high	108 Å²	108	111.2 Å²	111.2	58%	0.578	53%	0.534	S	S	*	.			trans	-128.5	161.4	-178.3	-67.7	-54.8	0	0	0	110.7	Y113 P179	Y113-N181 WeakPolarHBondContact CB-O 3.43Å; Y113-N181 HydrophobicContact CD1-CB 3.61Å; Y113-N181 WeakPolarHBondContact CD1-O 3.46Å; Y113-N181 HydrophobicContact CE1-CB 3.65Å; P179-N181 VanDerWaalsContact C-N 3.29Å; P179-N181 PolarHBondContact O-N 3.08Å
182	Q	95.5	Very high	97.3	Very high	145 Å²	145	111.7 Å²	111.7	68%	0.678	54%	0.537	S	S	*	.			trans	-128.9	156.4	173.8	-172.7	177.5	19.5	0	0	109.8	Y113 V184	Y113-Q182 VanDerWaalsContact CZ-C 3.49Å; Q182-V184 PolarHBondContact O-N 3Å
183	F	97.1	Very high	97.2	Very high	140 Å²	140	114.3 Å²	114.3	61%	0.614	54%	0.543	S	S	*	.			trans	-59.3	124.2	171.3	-179.5	-115.8	0	0	0	110.9	Y113 P185	Y113-F183 HydrophobicContact CD2-CB 4.09Å; Y113-F183 HydrophobicContact CE2-CB 3.53Å; Y113-F183 HydrophobicContact CE2-CD2 4.26Å; Y113-F183 HydrophobicContact CE2-CG 4.4Å; F183-P185 HydrophobicContact CE1-CB 3.84Å; F183-P185 HydrophobicContact CE1-CG 4.45Å; F183-P185 HydrophobicContact CZ-CB 4.24Å
184	V	97.3	Very high	97.2	Very high	67 Å²	67	112.4 Å²	112.4	41%	0.406	54%	0.541	S	S	.	.			trans	-113.8	102.3	176.3	-178	0	0	0	0	108.5	Q182 R186 K191	Q182-V184 PolarHBondContact O-N 3Å; V184-R186 PolarHBondContact O-N 3.2Å; V184-K191 HydrophobicContact CG1-CD 4.06Å; V184-K191 HydrophobicContact CG1-CG 4Å
185	P	97.6	Very high	97.1	Very high	33 Å²	33	112.9 Å²	112.9	21%	0.214	55%	0.548	C	S	.	.			trans	-66.1	130.3	-178.6	26.3	-33.1	0	0	0	110.6	F183 K191 I192 Y197	F183-P185 HydrophobicContact CE1-CB 3.84Å; F183-P185 HydrophobicContact CE1-CG 4.45Å; F183-P185 HydrophobicContact CZ-CB 4.24Å; P185-K191 WeakPolarHBondContact O-CA 3.35Å; P185-I192 HydrophobicContact CB-CD1 4.37Å; P185-I192 PolarHBondContact O-N 3.39Å; P185-Y197 WeakPolarHBondContact CG-OH 3.28Å
186	R	98	Very high	97	Very high	149 Å²	149	108.3 Å²	108.3	56%	0.562	54%	0.537	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.8	139.1	177.6	-66.9	-179.6	-179.7	-94.8	5.5	111.5	V184 G189 F190	V184-R186 PolarHBondContact O-N 3.2Å; R186-G189 PolarHBondContact NH1-O 2.92Å; R186-F190 CarbonylContact C-O 3.52Å; R186-F190 WeakPolarHBondContact CA-O 3.36Å
187	L	97.5	Very high	97	Very high	106 Å²	106	111.2 Å²	111.2	56%	0.555	55%	0.545	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.7	124.2	172.3	-177.9	62.5	0	0	0	108.3	G189 F190 I192	L187-G189 PolarHBondContact O-N 3.23Å; L187-G189 VanDerWaalsContact O-N 3.16Å; L187-F190 PolarHBondContact N-O 3.17Å; L187-F190 PolarHBondContact O-N 3.26Å; L187-I192 HydrophobicContact CB-CD1 4.36Å; L187-I192 HydrophobicContact CB-CG1 4.43Å
188	Y	97	Very high	96.9	Very high	213 Å²	213	107.4 Å²	107.4	84%	0.835	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.6	38.7	-172.2	-59.6	-71.6	0	0	0	113.7	F190	Y188-F190 VanDerWaalsContact C-N 3.29Å; Y188-F190 VanDerWaalsContact O-CD2 3.23Å; Y188-F190 WeakPolarHBondContact O-CD2 3.48Å; Y188-F190 PolarHBondContact O-N 3.34Å
189	G	96.5	Very high	96.9	Very high	51 Å²	51	102 Å²	102	53%	0.526	52%	0.516	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.7	-18.9	-179.6	0	0	0	0	0	115.4	R186 L187	R186-G189 PolarHBondContact NH1-O 2.92Å; L187-G189 PolarHBondContact O-N 3.23Å; L187-G189 VanDerWaalsContact O-N 3.16Å
190	F	97.9	Very high	96.9	Very high	161 Å²	161	105.9 Å²	105.9	71%	0.706	53%	0.53	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.3	143.5	-177.9	-61.3	-80.9	0	0	0	112.3	R186 L187 Y188	R186-F190 CarbonylContact C-O 3.52Å; R186-F190 WeakPolarHBondContact CA-O 3.36Å; L187-F190 PolarHBondContact N-O 3.17Å; L187-F190 PolarHBondContact O-N 3.26Å; Y188-F190 VanDerWaalsContact C-N 3.29Å; Y188-F190 VanDerWaalsContact O-CD2 3.23Å; Y188-F190 WeakPolarHBondContact O-CD2 3.48Å; Y188-F190 PolarHBondContact O-N 3.34Å
191	K	98.1	Very high	96.9	Very high	144 Å²	144	107.9 Å²	107.9	63%	0.626	53%	0.529	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70	140.8	172.8	-63.4	-176.5	-178.2	-179.4	0	109.9	V184 P185	V184-K191 HydrophobicContact CG1-CD 4.06Å; V184-K191 HydrophobicContact CG1-CG 4Å; P185-K191 WeakPolarHBondContact O-CA 3.35Å
192	I	97.4	Very high	97	Very high	57 Å²	57	108.4 Å²	108.4	29%	0.292	53%	0.528	S	S	.	.	P	Polyproline II helix	trans	-81.3	125.7	173.1	-57.1	-179.9	0	0	0	108.9	P185 L187 A196 Y197	P185-I192 HydrophobicContact CB-CD1 4.37Å; P185-I192 PolarHBondContact O-N 3.39Å; L187-I192 HydrophobicContact CB-CD1 4.36Å; L187-I192 HydrophobicContact CB-CG1 4.43Å; I192-A196 HydrophobicContact CG2-CB 3.86Å; I192-Y197 HydrophobicContact CB-CE2 4.29Å; I192-Y197 HydrophobicContact CG2-CD2 4.43Å; I192-Y197 HydrophobicContact CG2-CE2 3.72Å
193	H	97.3	Very high	97	Very high	134 Å²	134	104.5 Å²	104.5	62%	0.62	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-72.6	140.3	178.4	-169.5	-91.4	0	0	0	111.1	M195 A196	H193-M195 VanDerWaalsContact ND1-CB 3.3Å; H193-M195 WeakPolarHBondContact ND1-CB 3.44Å; H193-M195 PolarHBondContact ND1-N 3.34Å; H193-M195 PolarHBondContact O-N 3.24Å; H193-M195 VanDerWaalsContact O-N 3.11Å; H193-A196 VanDerWaalsContact O-CB 3.25Å; H193-A196 WeakPolarHBondContact O-CB 3.36Å; H193-A196 PolarHBondContact O-N 3.08Å
194	P	96.3	Very high	96.9	Very high	89 Å²	89	101.1 Å²	101.1	58%	0.578	52%	0.518	S	S	*	.	H	α-helix	trans	-53.9	-34.6	-178	-29.3	36	0	0	0	114.9	A196 Y197 Q198	P194-A196 PolarHBondContact O-N 3.25Å; P194-Y197 PolarHBondContact O-N 2.87Å; P194-Y197 VanDerWaalsContact O-N 3.09Å; P194-Q198 PolarHBondContact O-N 2.88Å
195	M	97.2	Very high	96.7	Very high	90 Å²	90	102.5 Å²	102.5	44%	0.443	53%	0.531	S	S	.	.	H	α-helix	trans	-56.8	-31.5	176	-171.2	64.7	-177.3	0	0	113	H193 Y197 Q198 L199	H193-M195 VanDerWaalsContact ND1-CB 3.3Å; H193-M195 WeakPolarHBondContact ND1-CB 3.44Å; H193-M195 PolarHBondContact ND1-N 3.34Å; H193-M195 PolarHBondContact O-N 3.24Å; H193-M195 VanDerWaalsContact O-N 3.11Å; M195-Y197 VanDerWaalsContact C-N 3.26Å; M195-Y197 PolarHBondContact O-N 3.46Å; M195-Q198 PolarHBondContact O-N 3.46Å; M195-Q198 HydrophobicContact SD-CB 4.45Å; M195-Q198 PolarHBondContact SD-OE1 3.17Å; M195-L199 HydrophobicContact CE-CD2 4.16Å; M195-L199 HydrophobicContact CE-CG 4.23Å; M195-L199 HydrophobicContact CG-CD1 4.29Å; M195-L199 HydrophobicContact CG-CG 4.46Å; M195-L199 WeakPolarHBondContact O-CG 3.41Å; M195-L199 PolarHBondContact O-N 3.32Å
196	A	97.3	Very high	96.4	Very high	32 Å²	32	105.4 Å²	105.4	26%	0.264	55%	0.552	S	S	.	*	H	α-helix	trans	-61.5	-36.8	178.5	0	0	0	0	0	111.7	I192 H193 P194 Q200	I192-A196 HydrophobicContact CG2-CB 3.86Å; H193-A196 VanDerWaalsContact O-CB 3.25Å; H193-A196 WeakPolarHBondContact O-CB 3.36Å; H193-A196 PolarHBondContact O-N 3.08Å; P194-A196 PolarHBondContact O-N 3.25Å; A196-Q200 WeakPolarHBondContact O-CB 3.48Å; A196-Q200 VanDerWaalsContact O-CG 3.23Å; A196-Q200 WeakPolarHBondContact O-CG 3.43Å; A196-Q200 PolarHBondContact O-N 3.17Å
197	Y	97.1	Very high	96	Very high	94 Å²	94	105.1 Å²	105.1	37%	0.369	56%	0.555	S	S	.	*	H	α-helix	trans	-70.4	-37.9	176.6	-62.4	-76.5	0	0	0	112.1	P185 I192 P194 M195 Q200 L201	P185-Y197 WeakPolarHBondContact CG-OH 3.28Å; I192-Y197 HydrophobicContact CB-CE2 4.29Å; I192-Y197 HydrophobicContact CG2-CD2 4.43Å; I192-Y197 HydrophobicContact CG2-CE2 3.72Å; P194-Y197 PolarHBondContact O-N 2.87Å; P194-Y197 VanDerWaalsContact O-N 3.09Å; M195-Y197 VanDerWaalsContact C-N 3.26Å; M195-Y197 PolarHBondContact O-N 3.46Å; Y197-Q200 PolarHBondContact O-N 3.19Å; Y197-L201 WeakPolarHBondContact O-CB 3.28Å; Y197-L201 VanDerWaalsContact O-CG 3.32Å; Y197-L201 WeakPolarHBondContact O-CG 3.48Å; Y197-L201 PolarHBondContact O-N 3.29Å
198	Q	95.9	Very high	95.2	Very high	112 Å²	112	109.4 Å²	109.4	52%	0.523	57%	0.569	S	S	.	*	H	α-helix	trans	-62.1	-45.8	175.6	-67.8	-178	-11.6	0	0	111.4	P194 M195 L201 Q202	P194-Q198 PolarHBondContact O-N 2.88Å; M195-Q198 PolarHBondContact O-N 3.46Å; M195-Q198 HydrophobicContact SD-CB 4.45Å; M195-Q198 PolarHBondContact SD-OE1 3.17Å; Q198-L201 PolarHBondContact O-N 2.9Å; Q198-Q202 WeakPolarHBondContact O-CG 3.48Å; Q198-Q202 PolarHBondContact O-N 3.2Å
199	L	97	Very high	94.1	Very high	93 Å²	93	103.6 Å²	103.6	49%	0.487	56%	0.56	S	S	.	*	H	α-helix	trans	-63.1	-41.7	176.2	-68.2	171.9	0	0	0	112	M195 Q202 A203	M195-L199 HydrophobicContact CE-CD2 4.16Å; M195-L199 HydrophobicContact CE-CG 4.23Å; M195-L199 HydrophobicContact CG-CD1 4.29Å; M195-L199 HydrophobicContact CG-CG 4.46Å; M195-L199 WeakPolarHBondContact O-CG 3.41Å; M195-L199 PolarHBondContact O-N 3.32Å; L199-Q202 PolarHBondContact O-N 3.09Å; L199-A203 WeakPolarHBondContact O-CB 3.2Å; L199-A203 PolarHBondContact O-N 2.9Å
200	Q	96.4	Very high	92.9	Very high	121 Å²	121	106.3 Å²	106.3	57%	0.565	57%	0.568	S	S	*	*	H	α-helix	trans	-61.9	-43.6	175.7	-77.7	175.1	2.6	0	0	112.3	A196 Y197 A203 A204	A196-Q200 WeakPolarHBondContact O-CB 3.48Å; A196-Q200 VanDerWaalsContact O-CG 3.23Å; A196-Q200 WeakPolarHBondContact O-CG 3.43Å; A196-Q200 PolarHBondContact O-N 3.17Å; Y197-Q200 PolarHBondContact O-N 3.19Å; Q200-A203 PolarHBondContact O-N 3.46Å; Q200-A204 WeakPolarHBondContact O-CB 3.42Å; Q200-A204 PolarHBondContact O-N 3.18Å
201	L	96.6	Very high	91.1	Very high	126 Å²	126	105.1 Å²	105.1	66%	0.66	57%	0.574	S	S	*	*	H	α-helix	trans	-63.5	-41.9	177.1	-73.5	169.7	0	0	0	111.8	Y197 Q198 A204 S205	Y197-L201 WeakPolarHBondContact O-CB 3.28Å; Y197-L201 VanDerWaalsContact O-CG 3.32Å; Y197-L201 WeakPolarHBondContact O-CG 3.48Å; Y197-L201 PolarHBondContact O-N 3.29Å; Q198-L201 PolarHBondContact O-N 2.9Å; L201-A204 PolarHBondContact O-N 3.11Å; L201-S205 PolarHBondContact O-N 3.26Å
202	Q	95.8	Very high	89.2	Confident	119 Å²	119	107.4 Å²	107.4	56%	0.556	58%	0.584	S	S	*	*	H	α-helix	trans	-63.1	-46.1	174.8	-73	176.5	-3	0	0	111.8	Q198 L199 A204 S205 S206	Q198-Q202 WeakPolarHBondContact O-CG 3.48Å; Q198-Q202 PolarHBondContact O-N 3.2Å; L199-Q202 PolarHBondContact O-N 3.09Å; Q202-A204 VanDerWaalsContact C-N 3.34Å; Q202-A204 PolarHBondContact O-N 3.42Å; Q202-S205 PolarHBondContact O-N 2.91Å; Q202-S205 PolarHBondContact O-OG 3.32Å; Q202-S206 PolarHBondContact O-N 3.01Å; Q202-S206 PolarHBondContact O-OG 2.96Å
203	A	95.4	Very high	87.2	Confident	63 Å²	63	108.8 Å²	108.8	52%	0.521	60%	0.604	S	S	.	*	H	α-helix	trans	-60.3	-43.4	177	0	0	0	0	0	111.9	L199 Q200 S205 S206 F207	L199-A203 WeakPolarHBondContact O-CB 3.2Å; L199-A203 PolarHBondContact O-N 2.9Å; Q200-A203 PolarHBondContact O-N 3.46Å; A203-S205 PolarHBondContact O-N 3.37Å; A203-S206 PolarHBondContact O-N 3.21Å; A203-F207 PolarHBondContact O-N 2.93Å; A203-F207 VanDerWaalsContact O-N 3.1Å
204	A	95.1	Very high	85.3	Confident	69 Å²	69	110.3 Å²	110.3	57%	0.57	62%	0.615	S	S	*	*	H	α-helix	trans	-60.8	-43	174.9	0	0	0	0	0	112.1	Q200 L201 Q202 S206 F207	Q200-A204 WeakPolarHBondContact O-CB 3.42Å; Q200-A204 PolarHBondContact O-N 3.18Å; L201-A204 PolarHBondContact O-N 3.11Å; Q202-A204 VanDerWaalsContact C-N 3.34Å; Q202-A204 PolarHBondContact O-N 3.42Å; A204-S206 VanDerWaalsContact C-N 3.26Å; A204-S206 PolarHBondContact O-N 2.98Å; A204-F207 WeakPolarHBondContact O-CB 3.44Å; A204-F207 PolarHBondContact O-N 3.48Å
205	S	93.7	Very high	83.2	Confident	97 Å²	97	120.5 Å²	120.5	68%	0.678	64%	0.642	S	S	*	*	H	α-helix	trans	-64.5	-30.7	178.2	74	0	0	0	0	113.4	L201 Q202 A203	L201-S205 PolarHBondContact O-N 3.26Å; Q202-S205 PolarHBondContact O-N 2.91Å; Q202-S205 PolarHBondContact O-OG 3.32Å; A203-S205 PolarHBondContact O-N 3.37Å
206	S	91.6	Very high	82.5	Confident	94 Å²	94	122.1 Å²	122.1	66%	0.657	65%	0.652	S	S	*	*	H	α-helix	trans	-89	-7	-179.1	-59.3	0	0	0	0	112.8	Q202 A203 A204 K208	Q202-S206 PolarHBondContact O-N 3.01Å; Q202-S206 PolarHBondContact O-OG 2.96Å; A203-S206 PolarHBondContact O-N 3.21Å; A204-S206 VanDerWaalsContact C-N 3.26Å; A204-S206 PolarHBondContact O-N 2.98Å; S206-K208 PolarHBondContact O-N 3.35Å
207	F	88.3	Confident	81.7	Confident	143 Å²	143	126.8 Å²	126.8	63%	0.627	67%	0.672	S	S	*	*			trans	-74.5	108.7	-177.4	-171	-99.6	0	0	0	110.9	A203 A204	A203-F207 PolarHBondContact O-N 2.93Å; A203-F207 VanDerWaalsContact O-N 3.1Å; A204-F207 WeakPolarHBondContact O-CB 3.44Å; A204-F207 PolarHBondContact O-N 3.48Å
208	K	81.1	Confident	80.9	Confident	196 Å²	196	128.6 Å²	128.6	85%	0.852	69%	0.689	S	S	*	*			trans	-90.4	109.1	168.6	-67.7	-175.3	179.7	-178.4	0	108.6	S206	S206-K208 PolarHBondContact O-N 3.35Å
209	S	74.1	Confident	80	Confident	90 Å²	90	129.6 Å²	129.6	63%	0.629	70%	0.699	S	S	*	*			trans	-53	129.7	172.2	-80.4	0	0	0	0	109.6	V211	S209-V211 PolarHBondContact O-N 3.08Å
210	P	70.5	Confident	78.9	Confident	108 Å²	108	131.9 Å²	131.9	70%	0.701	71%	0.712	S	S	*	*			trans	-61.2	117.3	173.1	23.3	-29.5	0	0	0	107.6	K212	P210-K212 PolarHBondContact O-N 3.13Å
211	V	61	Low	77.8	Confident	137 Å²	137	132.6 Å²	132.6	83%	0.83	72%	0.722	S	S	*	*			trans	-54	113.3	172.6	-179.7	0	0	0	0	105.9	S209 A213	S209-V211 PolarHBondContact O-N 3.08Å; V211-A213 VanDerWaalsContact C-N 3.33Å; V211-A213 PolarHBondContact O-N 2.96Å
212	K	59	Low	76.4	Confident	191 Å²	191	133.1 Å²	133.1	83%	0.83	73%	0.726	S	S	*	*			trans	-57.4	104.6	169.1	-83.7	-176.6	175.5	179.8	0	105.9	P210 I214	P210-K212 PolarHBondContact O-N 3.13Å; K212-I214 PolarHBondContact O-N 2.91Å
213	A	54	Low	74.9	Confident	87 Å²	87	134.2 Å²	134.2	72%	0.719	74%	0.739	S	S	*	*			trans	-62.6	97.5	163.7	0	0	0	0	0	105.9	V211 R215	V211-A213 VanDerWaalsContact C-N 3.33Å; V211-A213 PolarHBondContact O-N 2.96Å; A213-R215 VanDerWaalsContact C-N 3.33Å; A213-R215 PolarHBondContact O-N 3.33Å
214	I	58	Low	73.2	Confident	166 Å²	166	140.1 Å²	140.1	85%	0.851	76%	0.758	S	S	*	*			trans	-62.6	104.3	162.9	-63.2	171.3	0	0	0	104.2	K212	K212-I214 PolarHBondContact O-N 2.91Å
215	R	52.2	Low	71.2	Confident	303 Å²	303	146.5 Å²	146.5	100%	1.143	78%	0.775	S	S	*	*			trans	-84.5	0	163.3	-81.2	-172.5	176.3	-175.1	-0.8	108.8	A213	A213-R215 VanDerWaalsContact C-N 3.33Å; A213-R215 PolarHBondContact O-N 3.33Å

Retrieved 215 of 215 residues in 244.8 ms (Link to these results)

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